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 1c8d_1_A DATA FIRST_RESID 37 DATA SEQUENCE GVGISTGTFN NQTEFKFLEN GWVYITANSS RLVHLNMPES ENYRRVVVNN DATA SEQUENCE MDKTAVNGNM ALDDIHAEIV 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 SEGDTNFGDI 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 TNQYDPDASA 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 45.121 45.100 0.035 0.000 0.502 38 V N 1.364 121.301 119.914 0.040 0.000 2.568 38 V HA 0.143 4.263 4.120 -0.001 0.000 0.253 38 V C 1.949 178.071 176.094 0.048 0.000 1.072 38 V CA 2.890 65.217 62.300 0.044 0.000 1.084 38 V CB -0.124 31.720 31.823 0.036 0.000 0.676 38 V HN 0.440 nan 8.190 nan 0.000 0.469 39 G N 0.491 109.316 108.800 0.042 0.000 3.371 39 G HA2 0.406 4.365 3.960 -0.001 0.000 0.248 39 G HA3 0.406 4.365 3.960 -0.001 0.000 0.248 39 G C 0.318 175.243 174.900 0.042 0.000 1.161 39 G CA 0.328 45.453 45.100 0.041 0.000 0.796 39 G HN 0.780 nan 8.290 nan 0.000 0.539 40 I N -3.917 116.681 120.570 0.048 0.000 2.722 40 I HA 0.610 4.780 4.170 -0.001 0.000 0.295 40 I C -0.453 175.701 176.117 0.061 0.000 1.161 40 I CA -0.936 60.391 61.300 0.045 0.000 1.032 40 I CB 1.949 39.968 38.000 0.032 0.000 1.244 40 I HN -0.252 nan 8.210 nan 0.000 0.421 41 S N 1.972 117.707 115.700 0.058 0.000 2.579 41 S HA 0.262 4.731 4.470 -0.001 0.000 0.275 41 S C 0.940 175.583 174.600 0.071 0.000 1.345 41 S CA 0.289 58.538 58.200 0.082 0.000 1.031 41 S CB 0.790 64.024 63.200 0.058 0.000 0.892 41 S HN 0.865 nan 8.310 nan 0.000 0.529 42 T N -1.140 113.489 114.554 0.124 0.000 3.200 42 T HA 0.563 4.913 4.350 -0.001 0.000 0.284 42 T C 0.327 174.988 174.700 -0.065 0.000 1.009 42 T CA -0.057 62.087 62.100 0.073 0.000 0.907 42 T CB 0.181 69.135 68.868 0.144 0.000 1.120 42 T HN 0.730 nan 8.240 nan 0.000 0.534 43 G N -0.152 108.541 108.800 -0.179 0.000 2.550 43 G HA2 0.549 4.509 3.960 -0.001 0.000 0.293 43 G HA3 0.549 4.509 3.960 -0.001 0.000 0.293 43 G C -1.717 172.869 174.900 -0.523 0.000 1.402 43 G CA -0.638 43.990 45.100 -0.786 0.000 0.784 43 G HN 0.115 nan 8.290 nan 0.000 0.482 44 T N 0.471 114.649 114.554 -0.626 0.000 2.881 44 T HA 0.499 4.848 4.350 -0.001 0.000 0.290 44 T C -1.281 173.383 174.700 -0.060 0.000 1.000 44 T CA -0.243 61.728 62.100 -0.215 0.000 0.978 44 T CB 1.504 70.283 68.868 -0.149 0.000 0.997 44 T HN 0.512 nan 8.240 nan 0.000 0.443 45 F N 4.268 124.195 119.950 -0.038 0.000 2.427 45 F HA 0.586 5.112 4.527 -0.001 0.000 0.352 45 F C 0.238 176.073 175.800 0.059 0.000 1.100 45 F CA -0.507 57.537 58.000 0.073 0.000 1.191 45 F CB 0.456 39.442 39.000 -0.025 0.000 1.128 45 F HN 0.390 nan 8.300 nan 0.000 0.533 46 N N 4.974 123.590 118.700 -0.141 0.000 2.478 46 N HA 0.178 4.918 4.740 -0.001 0.000 0.291 46 N C -1.708 173.744 175.510 -0.096 0.000 1.090 46 N CA -0.293 52.761 53.050 0.006 0.000 0.911 46 N CB 1.186 39.671 38.487 -0.004 0.000 1.546 46 N HN 0.773 nan 8.380 nan 0.000 0.500 47 N N 2.527 121.285 118.700 0.097 0.000 2.536 47 N HA 0.133 4.873 4.740 -0.001 0.000 0.286 47 N C -1.076 174.548 175.510 0.191 0.000 1.577 47 N CA -0.017 53.104 53.050 0.119 0.000 0.883 47 N CB 0.871 39.489 38.487 0.218 0.000 1.390 47 N HN 0.587 nan 8.380 nan 0.000 0.491 48 Q N 0.062 119.958 119.800 0.160 0.000 2.230 48 Q HA 0.363 4.702 4.340 -0.001 0.000 0.248 48 Q C -0.498 175.588 176.000 0.143 0.000 0.915 48 Q CA -0.112 55.791 55.803 0.167 0.000 0.900 48 Q CB 1.624 30.447 28.738 0.142 0.000 1.229 48 Q HN 0.002 nan 8.270 nan 0.000 0.439 49 T N 2.511 117.165 114.554 0.167 0.000 2.770 49 T HA 0.297 4.647 4.350 -0.001 0.000 0.283 49 T C -0.751 173.965 174.700 0.026 0.000 0.988 49 T CA -0.653 61.507 62.100 0.100 0.000 0.957 49 T CB 0.714 69.709 68.868 0.212 0.000 0.930 49 T HN 0.423 nan 8.240 nan 0.000 0.443 50 E N 2.029 122.162 120.200 -0.112 0.000 2.183 50 E HA 0.504 4.854 4.350 -0.001 0.000 0.271 50 E C -1.170 175.262 176.600 -0.279 0.000 0.919 50 E CA -0.690 55.676 56.400 -0.057 0.000 0.781 50 E CB 1.528 31.229 29.700 0.003 0.000 1.140 50 E HN 0.431 nan 8.360 nan 0.000 0.402 51 F N 1.939 121.877 119.950 -0.021 0.000 2.402 51 F HA 0.325 4.852 4.527 -0.001 0.000 0.355 51 F C 0.261 175.899 175.800 -0.270 0.000 1.123 51 F CA -0.810 57.070 58.000 -0.200 0.000 1.021 51 F CB 1.418 40.234 39.000 -0.306 0.000 1.160 51 F HN 0.159 nan 8.300 nan 0.000 0.451 52 K N 4.930 125.281 120.400 -0.083 0.000 2.389 52 K HA 0.430 4.750 4.320 -0.001 0.000 0.261 52 K C -1.337 175.231 176.600 -0.054 0.000 1.014 52 K CA -0.481 55.819 56.287 0.021 0.000 0.920 52 K CB 0.441 33.061 32.500 0.200 0.000 1.149 52 K HN 0.425 nan 8.250 nan 0.000 0.444 53 F N 5.482 125.542 119.950 0.182 0.000 2.471 53 F HA 0.121 4.647 4.527 -0.001 0.000 0.365 53 F C 0.304 176.176 175.800 0.120 0.000 1.095 53 F CA -0.629 57.457 58.000 0.144 0.000 1.174 53 F CB 0.289 39.347 39.000 0.095 0.000 1.105 53 F HN 0.204 nan 8.300 nan 0.000 0.535 54 L N 1.903 123.280 121.223 0.256 0.000 2.492 54 L HA 0.400 4.740 4.340 -0.001 0.000 0.263 54 L C 0.584 177.570 176.870 0.193 0.000 1.062 54 L CA -1.309 53.640 54.840 0.181 0.000 0.817 54 L CB 0.133 42.269 42.059 0.128 0.000 1.441 54 L HN 0.405 nan 8.230 nan 0.000 0.493 55 E N 0.360 120.647 120.200 0.144 0.000 2.404 55 E HA 0.019 4.368 4.350 -0.001 0.000 0.261 55 E C -0.106 176.616 176.600 0.203 0.000 1.074 55 E CA 0.147 56.628 56.400 0.135 0.000 0.917 55 E CB 0.111 29.864 29.700 0.089 0.000 0.965 55 E HN 0.539 nan 8.360 nan 0.000 0.433 56 N N 0.253 119.053 118.700 0.166 0.000 2.776 56 N HA -0.194 4.545 4.740 -0.001 0.000 0.250 56 N C 0.359 175.950 175.510 0.136 0.000 1.112 56 N CA 0.848 54.014 53.050 0.193 0.000 0.733 56 N CB -1.089 37.584 38.487 0.309 0.000 1.097 56 N HN 0.789 nan 8.380 nan 0.000 0.558 57 G N -1.761 107.091 108.800 0.086 0.000 2.273 57 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.280 57 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.280 57 G C -0.301 174.509 174.900 -0.149 0.000 1.047 57 G CA 0.372 45.459 45.100 -0.022 0.000 0.869 57 G HN 0.436 nan 8.290 nan 0.000 0.502 58 W N -0.946 120.403 121.300 0.082 0.000 2.475 58 W HA 0.603 5.262 4.660 -0.001 0.000 0.317 58 W C 0.106 176.671 176.519 0.078 0.000 1.046 58 W CA -1.008 56.368 57.345 0.052 0.000 1.215 58 W CB 1.904 31.371 29.460 0.012 0.000 1.335 58 W HN 0.170 nan 8.180 nan 0.000 0.471 59 V N 3.732 123.813 119.914 0.278 0.000 2.547 59 V HA 0.301 4.421 4.120 -0.001 0.000 0.299 59 V C -1.015 175.228 176.094 0.248 0.000 1.040 59 V CA -1.220 61.172 62.300 0.154 0.000 0.913 59 V CB 1.459 33.293 31.823 0.017 0.000 0.992 59 V HN 0.451 nan 8.190 nan 0.000 0.449 60 Y N 4.637 124.944 120.300 0.011 0.000 2.369 60 Y HA 0.603 5.152 4.550 -0.001 0.000 0.337 60 Y C -0.146 175.739 175.900 -0.024 0.000 0.961 60 Y CA -0.782 57.336 58.100 0.029 0.000 1.186 60 Y CB 1.034 39.507 38.460 0.021 0.000 1.139 60 Y HN 0.530 nan 8.280 nan 0.000 0.494 61 I N 6.096 126.630 120.570 -0.060 0.000 2.330 61 I HA 0.219 4.389 4.170 -0.001 0.000 0.289 61 I C -0.438 175.566 176.117 -0.187 0.000 1.001 61 I CA -0.328 60.862 61.300 -0.183 0.000 1.193 61 I CB 1.486 39.441 38.000 -0.075 0.000 1.345 61 I HN 0.529 nan 8.210 nan 0.000 0.461 62 T N 5.793 120.193 114.554 -0.258 0.000 2.756 62 T HA 0.528 4.878 4.350 -0.001 0.000 0.290 62 T C 0.063 174.718 174.700 -0.074 0.000 0.985 62 T CA -0.493 61.492 62.100 -0.190 0.000 0.955 62 T CB 1.248 69.991 68.868 -0.208 0.000 0.930 62 T HN 0.641 nan 8.240 nan 0.000 0.451 63 A N 4.479 127.297 122.820 -0.003 0.000 2.322 63 A HA 0.563 4.883 4.320 -0.001 0.000 0.327 63 A C 0.005 177.703 177.584 0.191 0.000 1.394 63 A CA -0.863 51.210 52.037 0.060 0.000 0.921 63 A CB -0.167 18.791 19.000 -0.069 0.000 1.153 63 A HN 0.838 nan 8.150 nan 0.000 0.523 64 N N 1.118 119.914 118.700 0.160 0.000 2.455 64 N HA 0.527 5.266 4.740 -0.001 0.000 0.280 64 N C -0.466 175.144 175.510 0.167 0.000 1.055 64 N CA 0.008 53.153 53.050 0.158 0.000 0.961 64 N CB 1.561 40.085 38.487 0.062 0.000 1.121 64 N HN 0.475 nan 8.380 nan 0.000 0.476 65 S N 0.990 116.761 115.700 0.118 0.000 2.548 65 S HA 0.704 5.174 4.470 -0.001 0.000 0.276 65 S C -1.377 173.127 174.600 -0.160 0.000 1.129 65 S CA -0.671 57.508 58.200 -0.035 0.000 0.931 65 S CB 0.460 63.529 63.200 -0.218 0.000 1.068 65 S HN 0.579 nan 8.310 nan 0.000 0.480 66 S N 3.653 119.240 115.700 -0.188 0.000 2.564 66 S HA 0.876 5.346 4.470 -0.001 0.000 0.274 66 S C -0.885 173.741 174.600 0.042 0.000 1.124 66 S CA -0.953 57.138 58.200 -0.183 0.000 0.869 66 S CB 2.029 64.962 63.200 -0.446 0.000 1.105 66 S HN 0.871 nan 8.310 nan 0.000 0.472 67 R N -0.137 120.559 120.500 0.326 0.000 2.739 67 R HA 0.655 4.995 4.340 -0.001 0.000 0.271 67 R C -2.086 174.268 176.300 0.089 0.000 1.010 67 R CA -0.827 55.438 56.100 0.275 0.000 0.897 67 R CB 1.499 31.913 30.300 0.190 0.000 1.236 67 R HN 0.687 nan 8.270 nan 0.000 0.466 68 L N 2.747 123.825 121.223 -0.242 0.000 2.257 68 L HA 0.530 4.870 4.340 -0.001 0.000 0.290 68 L C -1.339 175.223 176.870 -0.513 0.000 1.044 68 L CA -0.243 54.131 54.840 -0.776 0.000 0.810 68 L CB 1.548 42.979 42.059 -1.046 0.000 1.193 68 L HN 0.342 nan 8.230 nan 0.000 0.425 69 V N 5.008 124.531 119.914 -0.653 0.000 2.483 69 V HA 0.401 4.521 4.120 -0.001 0.000 0.295 69 V C -0.281 175.435 176.094 -0.629 0.000 1.035 69 V CA -0.700 61.206 62.300 -0.656 0.000 0.896 69 V CB 1.319 32.595 31.823 -0.911 0.000 0.986 69 V HN 0.768 nan 8.190 nan 0.000 0.447 70 H N 4.753 123.564 119.070 -0.433 0.000 2.466 70 H HA 0.676 5.232 4.556 -0.001 0.000 0.338 70 H C -1.758 173.474 175.328 -0.159 0.000 1.091 70 H CA -0.722 55.168 56.048 -0.264 0.000 1.207 70 H CB 1.982 31.625 29.762 -0.198 0.000 1.466 70 H HN 0.529 nan 8.280 nan 0.000 0.493 71 L N 5.029 125.945 121.223 -0.512 0.000 2.409 71 L HA 0.372 4.712 4.340 -0.001 0.000 0.272 71 L C -1.333 175.387 176.870 -0.250 0.000 0.980 71 L CA -0.407 54.281 54.840 -0.254 0.000 0.826 71 L CB 1.821 43.888 42.059 0.012 0.000 1.268 71 L HN 0.648 nan 8.230 nan 0.000 0.407 72 N N 3.712 122.319 118.700 -0.155 0.000 2.472 72 N HA 0.675 5.414 4.740 -0.001 0.000 0.289 72 N C -0.396 175.091 175.510 -0.037 0.000 1.156 72 N CA -0.725 52.283 53.050 -0.071 0.000 0.940 72 N CB 1.298 39.756 38.487 -0.048 0.000 1.200 72 N HN 0.737 nan 8.380 nan 0.000 0.511 73 M N 0.481 120.072 119.600 -0.015 0.000 2.245 73 M HA 0.412 4.891 4.480 -0.001 0.000 0.330 73 M C -2.220 174.049 176.300 -0.051 0.000 1.098 73 M CA -1.201 54.075 55.300 -0.040 0.000 1.172 73 M CB 0.157 32.742 32.600 -0.025 0.000 1.467 73 M HN 0.277 nan 8.290 nan 0.000 0.454 74 P HA 0.032 nan 4.420 nan 0.000 0.269 74 P C -0.457 176.810 177.300 -0.056 0.000 1.209 74 P CA 0.025 63.078 63.100 -0.078 0.000 0.776 74 P CB 0.532 32.157 31.700 -0.125 0.000 0.876 75 E N 1.038 121.209 120.200 -0.047 0.000 2.153 75 E HA -0.066 4.283 4.350 -0.001 0.000 0.194 75 E C 0.606 177.183 176.600 -0.037 0.000 0.988 75 E CA 0.706 57.084 56.400 -0.037 0.000 0.811 75 E CB -0.172 29.506 29.700 -0.037 0.000 0.746 75 E HN 0.341 nan 8.360 nan 0.000 0.466 76 S N -1.322 114.349 115.700 -0.049 0.000 2.564 76 S HA 0.258 4.727 4.470 -0.001 0.000 0.274 76 S C -0.416 174.148 174.600 -0.060 0.000 1.124 76 S CA -0.839 57.335 58.200 -0.043 0.000 0.869 76 S CB 1.469 64.645 63.200 -0.040 0.000 1.105 76 S HN 0.130 nan 8.310 nan 0.000 0.472 77 E N 1.930 122.108 120.200 -0.037 0.000 2.463 77 E HA 0.192 4.541 4.350 -0.001 0.000 0.193 77 E C -0.428 176.165 176.600 -0.012 0.000 1.041 77 E CA 0.128 56.502 56.400 -0.043 0.000 0.879 77 E CB -0.054 29.638 29.700 -0.013 0.000 0.997 77 E HN 0.590 nan 8.360 nan 0.000 0.478 78 N N -0.498 118.199 118.700 -0.005 0.000 2.471 78 N HA 0.308 5.047 4.740 -0.001 0.000 0.288 78 N C -0.964 174.553 175.510 0.010 0.000 1.220 78 N CA -0.667 52.426 53.050 0.071 0.000 0.893 78 N CB 0.770 39.313 38.487 0.092 0.000 1.256 78 N HN -0.142 nan 8.380 nan 0.000 0.534 79 Y N 0.435 120.809 120.300 0.123 0.000 2.313 79 Y HA 0.390 4.939 4.550 -0.001 0.000 0.332 79 Y C 0.230 176.119 175.900 -0.020 0.000 1.071 79 Y CA -0.224 57.948 58.100 0.119 0.000 1.169 79 Y CB 0.931 39.580 38.460 0.314 0.000 1.192 79 Y HN 0.176 nan 8.280 nan 0.000 0.487 80 R N 1.979 122.494 120.500 0.025 0.000 2.637 80 R HA 0.490 4.830 4.340 -0.001 0.000 0.291 80 R C -0.705 175.483 176.300 -0.186 0.000 0.963 80 R CA -1.034 55.012 56.100 -0.089 0.000 0.901 80 R CB 1.815 32.056 30.300 -0.098 0.000 1.160 80 R HN 0.547 nan 8.270 nan 0.000 0.457 81 R N 2.862 123.199 120.500 -0.271 0.000 2.215 81 R HA 0.349 4.689 4.340 -0.001 0.000 0.337 81 R C -1.218 174.896 176.300 -0.309 0.000 1.010 81 R CA -0.326 55.534 56.100 -0.400 0.000 0.871 81 R CB 0.780 30.741 30.300 -0.565 0.000 1.134 81 R HN 0.342 nan 8.270 nan 0.000 0.477 82 V N 4.833 124.581 119.914 -0.277 0.000 2.628 82 V HA 0.438 4.558 4.120 -0.001 0.000 0.306 82 V C -0.291 175.631 176.094 -0.288 0.000 1.045 82 V CA -0.819 61.332 62.300 -0.249 0.000 0.905 82 V CB 2.120 33.814 31.823 -0.214 0.000 0.997 82 V HN 0.410 nan 8.190 nan 0.000 0.436 83 V N 4.325 124.051 119.914 -0.314 0.000 2.513 83 V HA 0.533 4.652 4.120 -0.001 0.000 0.299 83 V C -0.313 175.508 176.094 -0.455 0.000 1.035 83 V CA -0.592 61.457 62.300 -0.418 0.000 0.889 83 V CB 2.103 33.659 31.823 -0.445 0.000 0.988 83 V HN 0.595 nan 8.190 nan 0.000 0.440 84 V N 4.178 123.741 119.914 -0.586 0.000 2.459 84 V HA 0.477 4.596 4.120 -0.001 0.000 0.295 84 V C -0.128 175.735 176.094 -0.384 0.000 1.029 84 V CA -0.494 61.532 62.300 -0.456 0.000 0.874 84 V CB 1.674 33.191 31.823 -0.510 0.000 0.985 84 V HN 0.978 nan 8.190 nan 0.000 0.438 85 N N 3.438 121.976 118.700 -0.271 0.000 2.675 85 N HA 0.194 4.933 4.740 -0.001 0.000 0.254 85 N C -0.199 175.232 175.510 -0.132 0.000 1.224 85 N CA -0.428 52.493 53.050 -0.215 0.000 0.777 85 N CB 0.611 38.938 38.487 -0.268 0.000 1.256 85 N HN 0.742 nan 8.380 nan 0.000 0.531 86 N N 4.365 123.012 118.700 -0.089 0.000 3.052 86 N HA 0.018 4.758 4.740 -0.001 0.000 0.302 86 N C 0.653 176.137 175.510 -0.044 0.000 1.332 86 N CA -0.317 52.697 53.050 -0.060 0.000 1.129 86 N CB 0.422 38.885 38.487 -0.039 0.000 1.436 86 N HN 0.637 nan 8.380 nan 0.000 0.536 87 M N 0.479 120.049 119.600 -0.051 0.000 2.358 87 M HA -0.195 4.284 4.480 -0.001 0.000 0.264 87 M C 0.912 177.192 176.300 -0.034 0.000 1.064 87 M CA 1.626 56.904 55.300 -0.036 0.000 1.093 87 M CB -0.069 32.507 32.600 -0.040 0.000 1.401 87 M HN 0.393 nan 8.290 nan 0.000 0.440 88 D N -0.625 119.751 120.400 -0.039 0.000 2.178 88 D HA -0.201 4.439 4.640 -0.001 0.000 0.201 88 D C 1.748 178.030 176.300 -0.030 0.000 0.980 88 D CA 1.095 55.075 54.000 -0.034 0.000 0.842 88 D CB -0.151 40.627 40.800 -0.036 0.000 0.948 88 D HN 0.139 nan 8.370 nan 0.000 0.472 89 K N -0.045 120.338 120.400 -0.029 0.000 2.044 89 K HA -0.009 4.310 4.320 -0.001 0.000 0.204 89 K C 2.349 178.932 176.600 -0.028 0.000 1.049 89 K CA 1.700 57.971 56.287 -0.026 0.000 0.945 89 K CB -0.793 31.693 32.500 -0.024 0.000 0.724 89 K HN 0.475 nan 8.250 nan 0.000 0.440 90 T N -0.923 113.616 114.554 -0.026 0.000 3.118 90 T HA 0.124 4.474 4.350 -0.001 0.000 0.260 90 T C 1.776 176.458 174.700 -0.029 0.000 1.139 90 T CA 0.746 62.830 62.100 -0.028 0.000 1.085 90 T CB 0.033 68.890 68.868 -0.019 0.000 0.934 90 T HN 0.082 nan 8.240 nan 0.000 0.518 91 A N 0.984 123.787 122.820 -0.028 0.000 2.168 91 A HA 0.379 4.698 4.320 -0.001 0.000 0.215 91 A C 1.067 178.633 177.584 -0.031 0.000 1.152 91 A CA 0.062 52.082 52.037 -0.028 0.000 0.716 91 A CB -0.272 18.712 19.000 -0.027 0.000 0.794 91 A HN 0.436 nan 8.150 nan 0.000 0.465 92 V N 2.675 122.571 119.914 -0.031 0.000 2.368 92 V HA 0.085 4.205 4.120 -0.001 0.000 0.266 92 V C -0.492 175.580 176.094 -0.036 0.000 1.045 92 V CA -1.047 61.235 62.300 -0.030 0.000 0.899 92 V CB 0.284 32.091 31.823 -0.025 0.000 1.006 92 V HN 0.423 nan 8.190 nan 0.000 0.470 93 N N 4.029 122.704 118.700 -0.042 0.000 2.292 93 N HA 0.099 4.838 4.740 -0.001 0.000 0.258 93 N C 1.264 176.751 175.510 -0.039 0.000 1.261 93 N CA 1.424 54.440 53.050 -0.056 0.000 0.845 93 N CB 0.657 39.093 38.487 -0.084 0.000 1.064 93 N HN 1.104 nan 8.380 nan 0.000 0.471 94 G N 1.621 110.396 108.800 -0.040 0.000 2.141 94 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.231 94 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.231 94 G C 0.443 175.316 174.900 -0.045 0.000 0.984 94 G CA -0.229 44.858 45.100 -0.021 0.000 0.660 94 G HN 0.591 nan 8.290 nan 0.000 0.525 95 N N -0.324 118.341 118.700 -0.058 0.000 2.235 95 N HA 0.246 4.985 4.740 -0.001 0.000 0.231 95 N C 2.091 177.543 175.510 -0.097 0.000 1.177 95 N CA 0.459 53.468 53.050 -0.068 0.000 0.874 95 N CB -0.013 38.446 38.487 -0.047 0.000 1.097 95 N HN 0.459 nan 8.380 nan 0.000 0.518 96 M N 0.495 120.021 119.600 -0.123 0.000 2.116 96 M HA -0.200 4.280 4.480 -0.001 0.000 0.255 96 M C 2.019 178.199 176.300 -0.201 0.000 1.075 96 M CA 1.967 57.178 55.300 -0.149 0.000 1.087 96 M CB -0.527 31.963 32.600 -0.182 0.000 1.340 96 M HN 0.133 nan 8.290 nan 0.000 0.402 97 A N -0.130 122.500 122.820 -0.316 0.000 2.225 97 A HA 0.017 4.336 4.320 -0.001 0.000 0.215 97 A C 1.791 179.305 177.584 -0.117 0.000 1.164 97 A CA 0.950 52.777 52.037 -0.350 0.000 0.710 97 A CB -0.922 17.804 19.000 -0.458 0.000 0.780 97 A HN 0.541 nan 8.150 nan 0.000 0.473 98 L N -0.062 121.112 121.223 -0.080 0.000 2.728 98 L HA 0.134 4.474 4.340 -0.001 0.000 0.235 98 L C -0.076 176.792 176.870 -0.003 0.000 1.197 98 L CA -0.464 54.358 54.840 -0.029 0.000 0.992 98 L CB -0.319 41.721 42.059 -0.032 0.000 1.263 98 L HN 0.155 nan 8.230 nan 0.000 0.484 99 D N 0.611 121.017 120.400 0.009 0.000 2.401 99 D HA -0.013 4.627 4.640 -0.001 0.000 0.254 99 D C 0.379 176.727 176.300 0.080 0.000 1.192 99 D CA 0.530 54.558 54.000 0.046 0.000 0.885 99 D CB 0.916 41.758 40.800 0.069 0.000 1.147 99 D HN -0.005 nan 8.370 nan 0.000 0.478 100 D N 2.612 123.055 120.400 0.073 0.000 2.500 100 D HA 0.089 4.729 4.640 -0.001 0.000 0.217 100 D C 0.448 176.832 176.300 0.141 0.000 1.159 100 D CA -0.352 53.710 54.000 0.104 0.000 0.828 100 D CB 0.059 40.900 40.800 0.068 0.000 1.039 100 D HN 0.552 nan 8.370 nan 0.000 0.512 101 I N 1.708 122.321 120.570 0.071 0.000 2.648 101 I HA 0.177 4.347 4.170 -0.001 0.000 0.284 101 I C -0.465 175.556 176.117 -0.159 0.000 1.153 101 I CA 0.198 61.463 61.300 -0.059 0.000 1.426 101 I CB 0.367 38.338 38.000 -0.049 0.000 1.381 101 I HN 0.012 nan 8.210 nan 0.000 0.571 102 H N 4.605 123.302 119.070 -0.621 0.000 2.917 102 H HA 0.692 5.248 4.556 -0.001 0.000 0.299 102 H C -2.156 172.629 175.328 -0.905 0.000 1.418 102 H CA -1.010 54.197 56.048 -1.401 0.000 1.138 102 H CB 1.039 30.364 29.762 -0.729 0.000 1.830 102 H HN 0.785 nan 8.280 nan 0.000 0.514 103 A N 0.947 123.314 122.820 -0.754 0.000 2.355 103 A HA 0.620 4.940 4.320 -0.001 0.000 0.317 103 A C -0.544 177.160 177.584 0.201 0.000 1.094 103 A CA -0.332 51.619 52.037 -0.142 0.000 0.764 103 A CB 1.556 20.710 19.000 0.257 0.000 1.230 103 A HN 0.810 nan 8.150 nan 0.000 0.448 104 E N 1.394 121.612 120.200 0.030 0.000 2.429 104 E HA 0.710 5.059 4.350 -0.001 0.000 0.276 104 E C -1.578 174.908 176.600 -0.191 0.000 0.953 104 E CA -0.821 55.582 56.400 0.004 0.000 0.787 104 E CB 1.700 31.366 29.700 -0.057 0.000 1.307 104 E HN 0.433 nan 8.360 nan 0.000 0.458 105 I N 2.093 122.440 120.570 -0.371 0.000 2.339 105 I HA 0.227 4.396 4.170 -0.001 0.000 0.290 105 I C -0.756 175.114 176.117 -0.412 0.000 0.994 105 I CA -1.211 59.826 61.300 -0.439 0.000 1.191 105 I CB 1.795 39.446 38.000 -0.581 0.000 1.343 105 I HN 0.374 nan 8.210 nan 0.000 0.458 106 V N 5.635 125.413 119.914 -0.227 0.000 2.406 106 V HA 0.237 4.356 4.120 -0.001 0.000 0.272 106 V C 0.613 176.644 176.094 -0.105 0.000 1.043 106 V CA -0.374 61.823 62.300 -0.171 0.000 0.915 106 V CB 1.123 32.865 31.823 -0.135 0.000 0.988 106 V HN 0.832 nan 8.190 nan 0.000 0.466 107 T N 3.162 117.669 114.554 -0.077 0.000 2.943 107 T HA 0.504 4.854 4.350 -0.001 0.000 0.284 107 T C -1.763 172.899 174.700 -0.063 0.000 1.015 107 T CA -2.120 59.925 62.100 -0.091 0.000 1.042 107 T CB 2.129 71.168 68.868 0.284 0.000 1.055 107 T HN 0.502 nan 8.240 nan 0.000 0.500 108 P HA 0.216 nan 4.420 nan 0.000 0.255 108 P C -0.886 176.318 177.300 -0.160 0.000 1.301 108 P CA -0.262 62.738 63.100 -0.167 0.000 0.817 108 P CB -0.147 31.393 31.700 -0.267 0.000 1.259 109 W N 0.249 121.577 121.300 0.047 0.000 2.578 109 W HA 0.447 5.106 4.660 -0.001 0.000 0.353 109 W C 0.328 176.985 176.519 0.230 0.000 1.088 109 W CA -0.150 57.279 57.345 0.139 0.000 1.235 109 W CB 1.076 30.628 29.460 0.153 0.000 1.362 109 W HN -0.306 nan 8.180 nan 0.000 0.592 110 S N 1.839 117.811 115.700 0.455 0.000 2.532 110 S HA 0.557 5.027 4.470 -0.001 0.000 0.301 110 S C -1.173 173.637 174.600 0.351 0.000 1.083 110 S CA -0.816 57.591 58.200 0.345 0.000 1.025 110 S CB 1.124 64.439 63.200 0.191 0.000 1.056 110 S HN 0.400 nan 8.310 nan 0.000 0.494 111 L N 3.263 124.638 121.223 0.252 0.000 2.282 111 L HA 0.555 4.895 4.340 -0.001 0.000 0.288 111 L C -1.232 175.616 176.870 -0.036 0.000 1.033 111 L CA -0.625 54.243 54.840 0.047 0.000 0.807 111 L CB 1.096 43.209 42.059 0.091 0.000 1.209 111 L HN 0.410 nan 8.230 nan 0.000 0.423 112 V N 4.546 124.389 119.914 -0.119 0.000 2.304 112 V HA 0.217 4.336 4.120 -0.001 0.000 0.262 112 V C -0.147 175.831 176.094 -0.192 0.000 1.061 112 V CA -0.468 61.748 62.300 -0.140 0.000 0.872 112 V CB 0.899 32.664 31.823 -0.097 0.000 1.077 112 V HN 0.612 nan 8.190 nan 0.000 0.480 113 D N 4.229 124.509 120.400 -0.199 0.000 2.217 113 D HA 0.607 5.246 4.640 -0.001 0.000 0.243 113 D C 0.219 176.376 176.300 -0.238 0.000 1.054 113 D CA -0.432 53.455 54.000 -0.187 0.000 0.838 113 D CB 2.368 43.063 40.800 -0.175 0.000 1.162 113 D HN 0.474 nan 8.370 nan 0.000 0.472 114 A N 3.773 126.487 122.820 -0.176 0.000 2.610 114 A HA 0.100 4.420 4.320 -0.001 0.000 0.291 114 A C 0.474 178.009 177.584 -0.082 0.000 1.116 114 A CA -0.502 51.427 52.037 -0.181 0.000 0.963 114 A CB -0.244 18.667 19.000 -0.149 0.000 1.220 114 A HN 0.405 nan 8.150 nan 0.000 0.530 115 N N 2.064 120.590 118.700 -0.290 0.000 3.124 115 N HA 0.517 5.256 4.740 -0.001 0.000 0.284 115 N C -0.600 174.671 175.510 -0.398 0.000 1.209 115 N CA 0.711 53.400 53.050 -0.603 0.000 1.149 115 N CB -0.004 37.906 38.487 -0.962 0.000 1.434 115 N HN 0.507 nan 8.380 nan 0.000 0.529 116 A N 1.201 123.886 122.820 -0.227 0.000 2.577 116 A HA 0.278 4.598 4.320 -0.001 0.000 0.297 116 A C 0.120 177.626 177.584 -0.131 0.000 1.060 116 A CA -0.848 51.082 52.037 -0.178 0.000 0.697 116 A CB -0.008 18.985 19.000 -0.012 0.000 1.281 116 A HN 0.447 nan 8.150 nan 0.000 0.402 117 W N 1.747 123.005 121.300 -0.069 0.000 2.325 117 W HA -0.061 4.598 4.660 -0.001 0.000 0.299 117 W C 2.170 178.543 176.519 -0.244 0.000 1.215 117 W CA 1.947 59.296 57.345 0.006 0.000 1.244 117 W CB 0.023 29.442 29.460 -0.068 0.000 1.140 117 W HN 0.912 nan 8.180 nan 0.000 0.523 118 G N 0.014 108.360 108.800 -0.757 0.000 2.470 118 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.220 118 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.220 118 G C 1.371 175.617 174.900 -1.091 0.000 1.121 118 G CA 1.303 45.474 45.100 -1.549 0.000 0.766 118 G HN 0.192 nan 8.290 nan 0.000 0.553 119 V N -0.855 118.608 119.914 -0.752 0.000 2.515 119 V HA -0.107 4.013 4.120 -0.001 0.000 0.250 119 V C 2.186 177.913 176.094 -0.611 0.000 1.058 119 V CA 1.563 63.529 62.300 -0.556 0.000 1.064 119 V CB -0.490 30.916 31.823 -0.695 0.000 0.675 119 V HN 0.654 nan 8.190 nan 0.000 0.461 120 W N -2.020 119.209 121.300 -0.120 0.000 2.735 120 W HA 0.380 5.040 4.660 -0.001 0.000 0.264 120 W C 0.663 176.990 176.519 -0.319 0.000 1.233 120 W CA -0.452 56.744 57.345 -0.248 0.000 1.408 120 W CB 0.097 29.284 29.460 -0.456 0.000 1.038 120 W HN 0.011 nan 8.180 nan 0.000 0.603 121 F N 1.703 121.911 119.950 0.431 0.000 2.546 121 F HA 0.283 4.809 4.527 -0.001 0.000 0.320 121 F C 0.481 176.491 175.800 0.350 0.000 1.076 121 F CA -1.448 56.786 58.000 0.389 0.000 0.928 121 F CB 1.116 40.392 39.000 0.460 0.000 1.189 121 F HN -0.225 nan 8.300 nan 0.000 0.465 122 N N 2.171 121.170 118.700 0.497 0.000 2.476 122 N HA 0.388 5.127 4.740 -0.001 0.000 0.276 122 N C -2.284 173.412 175.510 0.309 0.000 1.204 122 N CA -1.812 51.481 53.050 0.405 0.000 0.974 122 N CB 1.617 40.317 38.487 0.355 0.000 1.204 122 N HN 0.187 nan 8.380 nan 0.000 0.543 123 P HA -0.178 nan 4.420 nan 0.000 0.217 123 P C 1.385 178.738 177.300 0.090 0.000 1.148 123 P CA 1.539 64.756 63.100 0.194 0.000 0.828 123 P CB -0.249 31.689 31.700 0.397 0.000 0.783 124 G N 0.493 109.370 108.800 0.129 0.000 2.418 124 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.217 124 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.217 124 G C 1.277 176.214 174.900 0.062 0.000 1.158 124 G CA 0.804 45.946 45.100 0.070 0.000 0.771 124 G HN 0.182 nan 8.290 nan 0.000 0.545 125 D N -0.521 119.974 120.400 0.157 0.000 2.144 125 D HA -0.091 4.549 4.640 -0.001 0.000 0.200 125 D C 1.928 178.187 176.300 -0.068 0.000 0.978 125 D CA 0.326 54.427 54.000 0.169 0.000 0.833 125 D CB -0.351 40.671 40.800 0.369 0.000 0.961 125 D HN 0.483 nan 8.370 nan 0.000 0.470 126 W N 2.020 123.122 121.300 -0.330 0.000 2.374 126 W HA -0.173 4.487 4.660 -0.001 0.000 0.288 126 W C 2.154 178.467 176.519 -0.343 0.000 1.218 126 W CA 1.089 58.129 57.345 -0.508 0.000 1.245 126 W CB 0.062 29.009 29.460 -0.855 0.000 1.126 126 W HN 0.086 nan 8.180 nan 0.000 0.545 127 Q N 0.375 120.062 119.800 -0.188 0.000 2.079 127 Q HA -0.249 4.090 4.340 -0.001 0.000 0.200 127 Q C 2.368 178.209 176.000 -0.266 0.000 0.974 127 Q CA 1.655 57.332 55.803 -0.210 0.000 0.840 127 Q CB -0.510 28.139 28.738 -0.149 0.000 0.898 127 Q HN 0.253 nan 8.270 nan 0.000 0.430 128 L N 0.712 121.784 121.223 -0.251 0.000 2.046 128 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 128 L C 1.992 178.683 176.870 -0.299 0.000 1.077 128 L CA 1.578 56.258 54.840 -0.268 0.000 0.747 128 L CB -0.349 41.513 42.059 -0.328 0.000 0.896 128 L HN 0.314 nan 8.230 nan 0.000 0.432 129 I N -1.958 118.372 120.570 -0.400 0.000 2.110 129 I HA -0.253 3.917 4.170 -0.001 0.000 0.236 129 I C 2.351 178.163 176.117 -0.508 0.000 1.068 129 I CA 1.221 62.235 61.300 -0.477 0.000 1.333 129 I CB -0.529 37.002 38.000 -0.783 0.000 1.054 129 I HN -0.001 nan 8.210 nan 0.000 0.402 130 V N 1.565 121.056 119.914 -0.705 0.000 2.380 130 V HA -0.285 3.834 4.120 -0.001 0.000 0.251 130 V C 2.006 177.929 176.094 -0.287 0.000 1.063 130 V CA 2.019 64.000 62.300 -0.532 0.000 1.055 130 V CB -0.817 30.652 31.823 -0.589 0.000 0.657 130 V HN 0.454 nan 8.190 nan 0.000 0.455 131 N N -0.871 117.679 118.700 -0.251 0.000 2.395 131 N HA -0.046 4.694 4.740 -0.001 0.000 0.175 131 N C 1.786 177.209 175.510 -0.146 0.000 1.029 131 N CA 1.438 54.387 53.050 -0.168 0.000 0.897 131 N CB -0.025 38.371 38.487 -0.152 0.000 0.991 131 N HN 0.469 nan 8.380 nan 0.000 0.441 132 T N 0.144 114.601 114.554 -0.162 0.000 3.045 132 T HA 0.240 4.590 4.350 -0.001 0.000 0.239 132 T C 0.833 175.468 174.700 -0.108 0.000 1.008 132 T CA 0.121 62.147 62.100 -0.123 0.000 1.143 132 T CB 0.286 69.088 68.868 -0.109 0.000 0.894 132 T HN -0.034 nan 8.240 nan 0.000 0.451 133 M N 2.017 121.540 119.600 -0.128 0.000 2.228 133 M HA 0.218 4.697 4.480 -0.001 0.000 0.326 133 M C 1.334 177.572 176.300 -0.104 0.000 1.122 133 M CA -0.063 55.170 55.300 -0.113 0.000 1.161 133 M CB 1.003 33.534 32.600 -0.115 0.000 1.437 133 M HN 0.191 nan 8.290 nan 0.000 0.465 134 S N -0.943 114.703 115.700 -0.089 0.000 2.559 134 S HA 0.270 4.739 4.470 -0.001 0.000 0.226 134 S C -0.131 174.463 174.600 -0.011 0.000 1.030 134 S CA -0.145 58.020 58.200 -0.058 0.000 0.956 134 S CB -0.091 63.069 63.200 -0.066 0.000 0.900 134 S HN 0.762 nan 8.310 nan 0.000 0.510 135 E N -0.214 119.997 120.200 0.018 0.000 2.401 135 E HA 0.636 4.985 4.350 -0.001 0.000 0.280 135 E C -2.098 174.647 176.600 0.241 0.000 1.039 135 E CA -1.119 55.368 56.400 0.144 0.000 0.814 135 E CB 0.898 30.727 29.700 0.215 0.000 1.275 135 E HN 0.113 nan 8.360 nan 0.000 0.448 136 L N 1.784 123.252 121.223 0.408 0.000 2.408 136 L HA 0.502 4.841 4.340 -0.001 0.000 0.268 136 L C -1.517 175.850 176.870 0.828 0.000 0.986 136 L CA -0.296 54.867 54.840 0.539 0.000 0.820 136 L CB 1.886 44.219 42.059 0.456 0.000 1.303 136 L HN 0.712 nan 8.230 nan 0.000 0.411 137 H N 4.460 123.795 119.070 0.442 0.000 2.538 137 H HA 0.444 5.000 4.556 -0.001 0.000 0.353 137 H C -1.217 174.172 175.328 0.102 0.000 1.109 137 H CA -1.113 55.124 56.048 0.315 0.000 1.192 137 H CB 2.616 32.543 29.762 0.276 0.000 1.555 137 H HN 0.408 nan 8.280 nan 0.000 0.518 138 L N 4.419 125.518 121.223 -0.207 0.000 2.261 138 L HA 0.120 4.460 4.340 -0.001 0.000 0.289 138 L C -0.073 176.630 176.870 -0.278 0.000 1.059 138 L CA 0.086 54.530 54.840 -0.660 0.000 0.816 138 L CB 0.629 41.862 42.059 -1.376 0.000 1.191 138 L HN 0.514 nan 8.230 nan 0.000 0.431 139 V N 2.672 122.472 119.914 -0.190 0.000 2.484 139 V HA 0.305 4.424 4.120 -0.001 0.000 0.236 139 V C 0.794 176.966 176.094 0.130 0.000 1.062 139 V CA 1.106 63.440 62.300 0.056 0.000 1.081 139 V CB 0.115 32.000 31.823 0.104 0.000 0.751 139 V HN 0.877 nan 8.190 nan 0.000 0.484 140 S N -0.961 114.718 115.700 -0.035 0.000 2.638 140 S HA 0.763 5.233 4.470 -0.001 0.000 0.274 140 S C -1.366 173.193 174.600 -0.070 0.000 1.157 140 S CA -0.555 57.530 58.200 -0.191 0.000 0.826 140 S CB 2.810 65.650 63.200 -0.600 0.000 1.139 140 S HN 0.246 nan 8.310 nan 0.000 0.474 141 F N 0.795 120.539 119.950 -0.343 0.000 2.619 141 F HA 0.745 5.272 4.527 -0.001 0.000 0.308 141 F C -1.806 173.859 175.800 -0.225 0.000 1.097 141 F CA -0.615 57.222 58.000 -0.271 0.000 0.953 141 F CB 1.811 40.660 39.000 -0.252 0.000 1.287 141 F HN 1.055 nan 8.300 nan 0.000 0.446 142 E N 3.299 122.917 120.200 -0.970 0.000 2.380 142 E HA 0.550 4.900 4.350 -0.001 0.000 0.281 142 E C -2.193 173.983 176.600 -0.707 0.000 0.999 142 E CA -1.052 54.855 56.400 -0.823 0.000 0.800 142 E CB 2.255 31.700 29.700 -0.426 0.000 1.228 142 E HN 0.655 nan 8.360 nan 0.000 0.436 143 Q N 0.912 120.429 119.800 -0.472 0.000 2.552 143 Q HA 0.642 4.981 4.340 -0.001 0.000 0.289 143 Q C -1.117 174.810 176.000 -0.122 0.000 1.097 143 Q CA -1.171 54.498 55.803 -0.223 0.000 0.812 143 Q CB 2.784 31.621 28.738 0.165 0.000 1.460 143 Q HN 0.642 nan 8.270 nan 0.000 0.452 144 E N 0.608 120.747 120.200 -0.102 0.000 2.390 144 E HA 0.495 4.845 4.350 -0.001 0.000 0.280 144 E C -1.740 174.998 176.600 0.231 0.000 0.992 144 E CA -0.506 55.934 56.400 0.066 0.000 0.790 144 E CB 1.953 31.649 29.700 -0.006 0.000 1.248 144 E HN 0.564 nan 8.360 nan 0.000 0.447 145 I N 4.387 125.169 120.570 0.353 0.000 2.466 145 I HA 0.478 4.647 4.170 -0.001 0.000 0.289 145 I C -0.820 175.541 176.117 0.406 0.000 1.026 145 I CA -0.709 60.798 61.300 0.346 0.000 1.078 145 I CB 1.020 39.117 38.000 0.162 0.000 1.249 145 I HN 0.438 nan 8.210 nan 0.000 0.429 146 F N 2.766 122.871 119.950 0.259 0.000 2.692 146 F HA 0.506 5.032 4.527 -0.001 0.000 0.320 146 F C 0.272 176.265 175.800 0.321 0.000 1.123 146 F CA -1.160 56.969 58.000 0.215 0.000 0.961 146 F CB 1.024 40.103 39.000 0.131 0.000 1.383 146 F HN 0.482 nan 8.300 nan 0.000 0.483 147 N N 0.202 119.128 118.700 0.378 0.000 2.716 147 N HA -0.161 4.579 4.740 -0.001 0.000 0.250 147 N C -0.659 175.025 175.510 0.289 0.000 1.033 147 N CA 0.301 53.540 53.050 0.315 0.000 0.727 147 N CB -0.584 38.111 38.487 0.347 0.000 0.950 147 N HN 0.400 nan 8.380 nan 0.000 0.541 148 V N 0.873 120.923 119.914 0.227 0.000 2.872 148 V HA 0.141 4.260 4.120 -0.001 0.000 0.307 148 V C 0.846 177.032 176.094 0.154 0.000 1.072 148 V CA 0.429 62.848 62.300 0.199 0.000 1.148 148 V CB 1.660 33.552 31.823 0.114 0.000 0.954 148 V HN 0.052 nan 8.190 nan 0.000 0.490 149 V N 5.176 125.168 119.914 0.128 0.000 2.851 149 V HA 0.496 4.615 4.120 -0.001 0.000 0.307 149 V C -1.030 175.056 176.094 -0.013 0.000 1.129 149 V CA -0.587 61.749 62.300 0.059 0.000 0.932 149 V CB 1.971 33.832 31.823 0.063 0.000 1.024 149 V HN 0.617 nan 8.190 nan 0.000 0.426 150 L N 4.722 125.906 121.223 -0.064 0.000 2.404 150 L HA 0.610 4.949 4.340 -0.001 0.000 0.272 150 L C -0.171 176.572 176.870 -0.213 0.000 0.980 150 L CA -0.119 54.633 54.840 -0.146 0.000 0.836 150 L CB 1.761 43.772 42.059 -0.081 0.000 1.238 150 L HN 0.508 nan 8.230 nan 0.000 0.408 151 K N 0.857 120.987 120.400 -0.452 0.000 2.238 151 K HA 0.816 5.136 4.320 -0.001 0.000 0.239 151 K C -0.659 175.773 176.600 -0.280 0.000 0.987 151 K CA -0.846 55.210 56.287 -0.384 0.000 0.857 151 K CB 2.179 34.378 32.500 -0.500 0.000 1.154 151 K HN 0.385 nan 8.250 nan 0.000 0.439 152 T N 0.831 115.358 114.554 -0.046 0.000 2.861 152 T HA 0.312 4.662 4.350 -0.001 0.000 0.287 152 T C -1.091 173.698 174.700 0.148 0.000 1.003 152 T CA -0.614 61.517 62.100 0.052 0.000 0.977 152 T CB 1.254 70.132 68.868 0.017 0.000 0.996 152 T HN 0.159 nan 8.240 nan 0.000 0.448 153 V N 3.615 123.638 119.914 0.181 0.000 2.406 153 V HA 0.442 4.562 4.120 -0.001 0.000 0.272 153 V C 0.491 176.577 176.094 -0.014 0.000 1.043 153 V CA -0.482 61.881 62.300 0.105 0.000 0.915 153 V CB 1.354 33.272 31.823 0.159 0.000 0.988 153 V HN 0.867 nan 8.190 nan 0.000 0.466 154 S N 3.388 119.027 115.700 -0.102 0.000 2.420 154 S HA 0.300 4.769 4.470 -0.001 0.000 0.313 154 S C -0.042 174.491 174.600 -0.113 0.000 1.079 154 S CA -0.609 57.541 58.200 -0.083 0.000 1.104 154 S CB 0.713 63.869 63.200 -0.073 0.000 0.969 154 S HN 0.788 nan 8.310 nan 0.000 0.471 155 E N 3.744 123.902 120.200 -0.070 0.000 1.802 155 E HA 0.126 4.475 4.350 -0.001 0.000 0.265 155 E C 0.103 176.671 176.600 -0.053 0.000 1.168 155 E CA 0.095 56.457 56.400 -0.064 0.000 1.033 155 E CB -0.085 29.593 29.700 -0.036 0.000 1.095 155 E HN 0.466 nan 8.360 nan 0.000 0.436 156 S N 3.560 119.221 115.700 -0.065 0.000 3.988 156 S HA 0.131 4.600 4.470 -0.001 0.000 0.180 156 S C 0.254 174.834 174.600 -0.034 0.000 1.242 156 S CA 0.086 58.258 58.200 -0.047 0.000 0.947 156 S CB -1.080 62.090 63.200 -0.051 0.000 1.519 156 S HN 0.506 nan 8.310 nan 0.000 0.439 157 A N 3.262 126.065 122.820 -0.028 0.000 2.752 157 A HA 0.460 4.780 4.320 -0.001 0.000 0.292 157 A C 0.604 178.178 177.584 -0.016 0.000 1.597 157 A CA 0.131 52.156 52.037 -0.021 0.000 1.241 157 A CB -0.537 18.453 19.000 -0.017 0.000 1.061 157 A HN 0.620 nan 8.150 nan 0.000 0.576 158 T N 1.048 115.593 114.554 -0.016 0.000 3.033 158 T HA 0.405 4.754 4.350 -0.001 0.000 0.362 158 T C 0.138 174.832 174.700 -0.011 0.000 1.723 158 T CA 0.011 62.103 62.100 -0.012 0.000 1.110 158 T CB 0.472 69.333 68.868 -0.011 0.000 1.515 158 T HN 0.836 nan 8.240 nan 0.000 0.484 159 Q N 0.709 120.504 119.800 -0.008 0.000 1.949 159 Q HA -0.190 4.149 4.340 -0.001 0.000 0.274 159 Q C -1.439 174.557 176.000 -0.007 0.000 2.541 159 Q CA 2.313 58.112 55.803 -0.007 0.000 0.674 159 Q CB -2.700 26.034 28.738 -0.006 0.000 1.303 159 Q HN 0.675 nan 8.270 nan 0.000 0.598 160 P HA 0.096 nan 4.420 nan 0.000 0.215 160 P C -1.350 175.945 177.300 -0.008 0.000 1.157 160 P CA 1.354 64.450 63.100 -0.006 0.000 0.859 160 P CB -1.167 30.530 31.700 -0.005 0.000 0.786 161 P HA 0.152 nan 4.420 nan 0.000 0.278 161 P C -0.242 177.047 177.300 -0.019 0.000 1.258 161 P CA 0.110 63.201 63.100 -0.015 0.000 0.811 161 P CB 0.805 32.495 31.700 -0.017 0.000 1.063 162 T N -1.169 113.370 114.554 -0.026 0.000 2.881 162 T HA 0.518 4.867 4.350 -0.001 0.000 0.278 162 T C 0.008 174.666 174.700 -0.070 0.000 0.982 162 T CA -0.795 61.283 62.100 -0.037 0.000 0.989 162 T CB 1.312 70.160 68.868 -0.032 0.000 1.058 162 T HN 0.326 nan 8.240 nan 0.000 0.529 163 K N -0.023 120.310 120.400 -0.111 0.000 2.385 163 K HA 0.739 5.059 4.320 -0.001 0.000 0.248 163 K C -1.623 174.761 176.600 -0.359 0.000 0.955 163 K CA -0.987 55.156 56.287 -0.240 0.000 0.816 163 K CB 2.519 34.854 32.500 -0.275 0.000 1.250 163 K HN 0.392 nan 8.250 nan 0.000 0.434 164 V N 2.654 122.276 119.914 -0.486 0.000 2.733 164 V HA 0.333 4.453 4.120 -0.001 0.000 0.306 164 V C -1.694 174.112 176.094 -0.480 0.000 1.084 164 V CA -0.938 61.126 62.300 -0.394 0.000 0.905 164 V CB 1.427 33.158 31.823 -0.153 0.000 1.010 164 V HN 0.620 nan 8.190 nan 0.000 0.424 165 Y N 3.148 123.494 120.300 0.077 0.000 2.331 165 Y HA 0.625 5.175 4.550 -0.001 0.000 0.338 165 Y C 0.282 176.215 175.900 0.055 0.000 0.976 165 Y CA -0.628 57.535 58.100 0.103 0.000 1.137 165 Y CB 1.297 39.859 38.460 0.170 0.000 1.172 165 Y HN 0.672 nan 8.280 nan 0.000 0.478 166 N N 1.873 120.654 118.700 0.136 0.000 2.240 166 N HA 0.327 5.067 4.740 -0.001 0.000 0.302 166 N C -1.378 174.153 175.510 0.034 0.000 1.106 166 N CA -1.147 51.947 53.050 0.072 0.000 0.778 166 N CB 0.921 39.430 38.487 0.037 0.000 1.431 166 N HN 0.458 nan 8.380 nan 0.000 0.479 167 N N 0.632 119.345 118.700 0.022 0.000 2.518 167 N HA 0.036 4.776 4.740 -0.001 0.000 0.266 167 N C -1.025 174.480 175.510 -0.009 0.000 1.196 167 N CA 0.297 53.343 53.050 -0.006 0.000 0.947 167 N CB 0.647 39.140 38.487 0.010 0.000 1.098 167 N HN 0.571 nan 8.380 nan 0.000 0.450 168 D N 2.660 123.044 120.400 -0.026 0.000 2.462 168 D HA 0.169 4.809 4.640 -0.001 0.000 0.249 168 D C 0.826 177.119 176.300 -0.012 0.000 1.117 168 D CA -0.414 53.575 54.000 -0.017 0.000 0.900 168 D CB 0.325 41.108 40.800 -0.028 0.000 1.039 168 D HN 0.384 nan 8.370 nan 0.000 0.516 169 L N 2.269 123.492 121.223 0.000 0.000 2.633 169 L HA -0.053 4.286 4.340 -0.001 0.000 0.235 169 L C 1.841 178.716 176.870 0.008 0.000 1.163 169 L CA 1.050 55.895 54.840 0.008 0.000 0.859 169 L CB -0.325 41.743 42.059 0.015 0.000 0.973 169 L HN 0.397 nan 8.230 nan 0.000 0.451 170 T N -4.728 109.827 114.554 0.002 0.000 3.003 170 T HA 0.368 4.718 4.350 -0.001 0.000 0.261 170 T C 0.820 175.518 174.700 -0.003 0.000 1.003 170 T CA 0.157 62.258 62.100 0.003 0.000 0.917 170 T CB 0.299 69.168 68.868 0.002 0.000 1.084 170 T HN 0.126 nan 8.240 nan 0.000 0.522 171 A N 1.489 124.303 122.820 -0.011 0.000 2.406 171 A HA 0.639 4.958 4.320 -0.001 0.000 0.243 171 A C 0.214 177.789 177.584 -0.014 0.000 1.082 171 A CA -0.360 51.665 52.037 -0.020 0.000 0.786 171 A CB 0.197 19.178 19.000 -0.032 0.000 1.029 171 A HN 0.439 nan 8.150 nan 0.000 0.495 172 S N -0.241 115.447 115.700 -0.020 0.000 2.526 172 S HA 0.539 5.009 4.470 -0.001 0.000 0.293 172 S C -0.864 173.717 174.600 -0.031 0.000 1.092 172 S CA -0.499 57.693 58.200 -0.014 0.000 0.980 172 S CB 1.431 64.629 63.200 -0.004 0.000 1.048 172 S HN 0.781 nan 8.310 nan 0.000 0.483 173 L N 3.089 124.294 121.223 -0.030 0.000 2.307 173 L HA 0.620 4.960 4.340 -0.001 0.000 0.282 173 L C -0.828 176.012 176.870 -0.050 0.000 1.051 173 L CA -0.149 54.656 54.840 -0.060 0.000 0.804 173 L CB 0.717 42.723 42.059 -0.089 0.000 1.197 173 L HN 0.682 nan 8.230 nan 0.000 0.431 174 M N 5.205 124.768 119.600 -0.061 0.000 2.238 174 M HA 0.498 4.978 4.480 -0.001 0.000 0.350 174 M C -1.115 175.250 176.300 0.108 0.000 1.138 174 M CA -0.671 54.646 55.300 0.029 0.000 1.040 174 M CB 1.752 34.348 32.600 -0.006 0.000 1.639 174 M HN 0.310 nan 8.290 nan 0.000 0.451 175 V N 2.602 122.580 119.914 0.108 0.000 2.531 175 V HA 0.791 4.910 4.120 -0.001 0.000 0.301 175 V C -0.526 175.583 176.094 0.025 0.000 1.034 175 V CA -0.723 61.568 62.300 -0.016 0.000 0.865 175 V CB 1.680 33.273 31.823 -0.384 0.000 0.995 175 V HN 0.930 nan 8.190 nan 0.000 0.424 176 A N 5.662 128.500 122.820 0.031 0.000 2.343 176 A HA 0.813 5.132 4.320 -0.001 0.000 0.308 176 A C -1.045 176.537 177.584 -0.003 0.000 1.092 176 A CA -0.462 51.556 52.037 -0.032 0.000 0.751 176 A CB 1.284 20.122 19.000 -0.270 0.000 1.203 176 A HN 0.778 nan 8.150 nan 0.000 0.452 177 L N 3.070 124.316 121.223 0.039 0.000 2.324 177 L HA 0.304 4.643 4.340 -0.001 0.000 0.274 177 L C -0.712 176.203 176.870 0.075 0.000 1.012 177 L CA -0.435 54.441 54.840 0.061 0.000 0.859 177 L CB 1.220 43.400 42.059 0.201 0.000 1.224 177 L HN 0.875 nan 8.230 nan 0.000 0.429 178 D N 1.931 122.373 120.400 0.071 0.000 2.541 178 D HA -0.028 4.612 4.640 -0.001 0.000 0.231 178 D C 1.481 177.813 176.300 0.054 0.000 1.163 178 D CA 0.195 54.237 54.000 0.070 0.000 1.077 178 D CB 0.705 41.594 40.800 0.148 0.000 1.110 178 D HN 0.568 nan 8.370 nan 0.000 0.499 179 S N 2.286 118.021 115.700 0.059 0.000 2.402 179 S HA -0.169 4.301 4.470 -0.001 0.000 0.229 179 S C 1.359 175.996 174.600 0.063 0.000 1.021 179 S CA 0.544 58.784 58.200 0.068 0.000 0.974 179 S CB -0.185 63.063 63.200 0.079 0.000 0.800 179 S HN 0.371 nan 8.310 nan 0.000 0.484 180 N N 2.010 120.736 118.700 0.043 0.000 2.398 180 N HA 0.215 4.954 4.740 -0.001 0.000 0.188 180 N C -0.372 175.158 175.510 0.032 0.000 1.122 180 N CA 0.089 53.161 53.050 0.036 0.000 0.866 180 N CB -0.243 38.257 38.487 0.022 0.000 0.970 180 N HN 0.273 nan 8.380 nan 0.000 0.462 181 N N -0.279 118.443 118.700 0.036 0.000 2.727 181 N HA -0.158 4.582 4.740 -0.001 0.000 0.251 181 N C -0.085 175.421 175.510 -0.007 0.000 1.040 181 N CA 0.730 53.803 53.050 0.039 0.000 0.712 181 N CB -1.050 37.469 38.487 0.054 0.000 0.912 181 N HN 0.258 nan 8.380 nan 0.000 0.545 182 T N -0.523 113.998 114.554 -0.055 0.000 2.896 182 T HA 0.054 4.404 4.350 -0.001 0.000 0.263 182 T C 1.274 175.770 174.700 -0.341 0.000 1.050 182 T CA 0.579 62.601 62.100 -0.130 0.000 1.140 182 T CB 0.190 68.990 68.868 -0.113 0.000 0.877 182 T HN 0.210 nan 8.240 nan 0.000 0.457 183 M N 1.306 120.725 119.600 -0.302 0.000 2.226 183 M HA 0.272 4.752 4.480 -0.001 0.000 0.324 183 M C -2.391 173.820 176.300 -0.149 0.000 1.112 183 M CA -2.318 52.752 55.300 -0.385 0.000 1.176 183 M CB 0.273 32.751 32.600 -0.203 0.000 1.430 183 M HN -0.157 nan 8.290 nan 0.000 0.462 184 P HA 0.062 nan 4.420 nan 0.000 0.271 184 P C -1.205 176.313 177.300 0.363 0.000 1.216 184 P CA -0.153 63.030 63.100 0.138 0.000 0.776 184 P CB 0.213 31.990 31.700 0.129 0.000 0.881 185 F N 3.335 123.402 119.950 0.195 0.000 2.471 185 F HA 0.272 4.799 4.527 -0.001 0.000 0.365 185 F C 0.423 176.378 175.800 0.259 0.000 1.095 185 F CA 0.225 58.354 58.000 0.215 0.000 1.174 185 F CB 0.144 39.254 39.000 0.184 0.000 1.105 185 F HN 0.164 nan 8.300 nan 0.000 0.535 186 T N 5.331 119.804 114.554 -0.134 0.000 3.327 186 T HA 0.358 4.707 4.350 -0.001 0.000 0.373 186 T C -2.839 171.706 174.700 -0.258 0.000 1.589 186 T CA -1.917 60.161 62.100 -0.037 0.000 1.497 186 T CB 0.397 69.438 68.868 0.289 0.000 1.032 186 T HN 0.379 nan 8.240 nan 0.000 0.640 187 P HA 0.242 nan 4.420 nan 0.000 0.264 187 P C 1.166 178.360 177.300 -0.177 0.000 1.236 187 P CA -0.203 62.677 63.100 -0.368 0.000 0.811 187 P CB 0.749 32.283 31.700 -0.277 0.000 0.840 188 A N 4.739 127.462 122.820 -0.162 0.000 2.084 188 A HA -0.158 4.161 4.320 -0.001 0.000 0.221 188 A C 2.202 179.711 177.584 -0.125 0.000 1.161 188 A CA 1.834 53.803 52.037 -0.113 0.000 0.653 188 A CB -1.026 17.909 19.000 -0.109 0.000 0.802 188 A HN 0.531 nan 8.150 nan 0.000 0.457 189 A N -0.601 122.135 122.820 -0.141 0.000 1.978 189 A HA -0.164 4.155 4.320 -0.001 0.000 0.220 189 A C 2.148 179.695 177.584 -0.062 0.000 1.170 189 A CA 1.739 53.708 52.037 -0.113 0.000 0.636 189 A CB -0.545 18.395 19.000 -0.100 0.000 0.810 189 A HN 0.652 nan 8.150 nan 0.000 0.448 190 M N -0.748 118.820 119.600 -0.054 0.000 2.202 190 M HA -0.150 4.330 4.480 -0.001 0.000 0.262 190 M C 1.073 177.346 176.300 -0.045 0.000 1.063 190 M CA 1.620 56.899 55.300 -0.035 0.000 1.097 190 M CB -0.025 32.568 32.600 -0.012 0.000 1.382 190 M HN 0.350 nan 8.290 nan 0.000 0.413 191 R N -0.932 119.536 120.500 -0.053 0.000 2.629 191 R HA 0.180 4.519 4.340 -0.001 0.000 0.386 191 R C 0.556 176.820 176.300 -0.059 0.000 1.071 191 R CA 0.256 56.327 56.100 -0.048 0.000 1.104 191 R CB 0.439 30.713 30.300 -0.044 0.000 1.370 191 R HN 0.363 nan 8.270 nan 0.000 0.574 192 S N 1.771 117.416 115.700 -0.090 0.000 3.631 192 S HA -0.173 4.296 4.470 -0.001 0.000 0.366 192 S C 0.086 174.547 174.600 -0.231 0.000 0.993 192 S CA 0.900 58.991 58.200 -0.182 0.000 1.167 192 S CB -0.898 62.270 63.200 -0.054 0.000 0.909 192 S HN 0.599 nan 8.310 nan 0.000 0.478 193 E N 0.660 120.748 120.200 -0.186 0.000 2.989 193 E HA 0.167 4.517 4.350 -0.001 0.000 0.207 193 E C 0.397 176.928 176.600 -0.116 0.000 0.989 193 E CA -0.213 56.128 56.400 -0.098 0.000 1.186 193 E CB 1.033 30.706 29.700 -0.046 0.000 1.141 193 E HN 0.448 nan 8.360 nan 0.000 0.454 194 T N 0.455 114.868 114.554 -0.235 0.000 2.814 194 T HA 0.268 4.617 4.350 -0.001 0.000 0.284 194 T C 0.104 174.794 174.700 -0.017 0.000 0.998 194 T CA -0.584 61.418 62.100 -0.163 0.000 0.935 194 T CB 0.557 69.311 68.868 -0.191 0.000 1.167 194 T HN -0.019 nan 8.240 nan 0.000 0.545 195 L N 1.620 122.794 121.223 -0.081 0.000 2.467 195 L HA 0.419 4.759 4.340 -0.001 0.000 0.270 195 L C 1.410 178.279 176.870 -0.003 0.000 1.205 195 L CA 0.523 55.289 54.840 -0.123 0.000 0.828 195 L CB -0.078 41.779 42.059 -0.336 0.000 1.101 195 L HN 0.817 nan 8.230 nan 0.000 0.479 196 G N 1.640 110.351 108.800 -0.148 0.000 2.732 196 G HA2 0.056 4.015 3.960 -0.001 0.000 0.244 196 G HA3 0.056 4.015 3.960 -0.001 0.000 0.244 196 G C 0.089 174.957 174.900 -0.053 0.000 1.226 196 G CA -0.279 44.635 45.100 -0.311 0.000 0.860 196 G HN 0.491 nan 8.290 nan 0.000 0.583 197 F N -0.758 118.940 119.950 -0.421 0.000 2.639 197 F HA 0.347 4.873 4.527 -0.001 0.000 0.302 197 F C -0.385 174.950 175.800 -0.774 0.000 1.097 197 F CA -1.180 56.486 58.000 -0.557 0.000 1.294 197 F CB -0.463 38.159 39.000 -0.631 0.000 1.027 197 F HN 0.167 nan 8.300 nan 0.000 0.550 198 Y N 0.305 120.496 120.300 -0.183 0.000 2.331 198 Y HA 0.395 4.944 4.550 -0.001 0.000 0.334 198 Y C -1.704 173.913 175.900 -0.471 0.000 0.960 198 Y CA -2.988 54.782 58.100 -0.551 0.000 1.130 198 Y CB 1.082 39.051 38.460 -0.819 0.000 1.164 198 Y HN -0.185 nan 8.280 nan 0.000 0.458 199 P HA -0.152 nan 4.420 nan 0.000 0.221 199 P C 0.394 177.923 177.300 0.382 0.000 1.145 199 P CA 1.535 64.766 63.100 0.219 0.000 0.795 199 P CB -0.020 31.953 31.700 0.455 0.000 0.775 200 W N -1.140 120.340 121.300 0.301 0.000 3.123 200 W HA 0.448 5.108 4.660 -0.001 0.000 0.383 200 W C 0.008 176.606 176.519 0.131 0.000 1.102 200 W CA -0.685 56.779 57.345 0.199 0.000 1.865 200 W CB -0.330 29.209 29.460 0.133 0.000 1.111 200 W HN -0.253 nan 8.180 nan 0.000 0.621 201 K N 2.241 122.628 120.400 -0.021 0.000 2.413 201 K HA 0.390 4.710 4.320 -0.001 0.000 0.257 201 K C -2.580 173.999 176.600 -0.037 0.000 0.946 201 K CA -1.987 54.285 56.287 -0.025 0.000 0.823 201 K CB 1.551 33.988 32.500 -0.105 0.000 1.109 201 K HN -0.286 nan 8.250 nan 0.000 0.427 202 P HA 0.008 nan 4.420 nan 0.000 0.268 202 P C -0.686 176.529 177.300 -0.141 0.000 1.208 202 P CA -0.162 62.859 63.100 -0.131 0.000 0.777 202 P CB 1.038 32.640 31.700 -0.163 0.000 0.875 203 T N 0.602 115.054 114.554 -0.169 0.000 2.693 203 T HA 0.824 5.173 4.350 -0.001 0.000 0.278 203 T C -0.926 173.677 174.700 -0.161 0.000 0.994 203 T CA -0.772 61.229 62.100 -0.164 0.000 1.033 203 T CB 0.457 69.224 68.868 -0.169 0.000 1.342 203 T HN 0.377 nan 8.240 nan 0.000 0.538 204 I N -1.158 119.327 120.570 -0.142 0.000 3.093 204 I HA 0.777 4.947 4.170 -0.001 0.000 0.308 204 I C -3.115 172.943 176.117 -0.098 0.000 1.303 204 I CA -2.730 58.504 61.300 -0.110 0.000 0.975 204 I CB 2.095 40.063 38.000 -0.052 0.000 1.286 204 I HN 0.420 nan 8.210 nan 0.000 0.459 205 P HA 0.537 nan 4.420 nan 0.000 0.304 205 P C -1.207 176.096 177.300 0.006 0.000 1.310 205 P CA -0.400 62.682 63.100 -0.030 0.000 0.796 205 P CB 1.232 32.947 31.700 0.025 0.000 1.297 206 T N -3.818 110.759 114.554 0.038 0.000 2.885 206 T HA 0.582 4.931 4.350 -0.001 0.000 0.285 206 T C -2.822 171.956 174.700 0.130 0.000 1.019 206 T CA -2.628 59.509 62.100 0.062 0.000 1.010 206 T CB 0.775 69.672 68.868 0.050 0.000 1.022 206 T HN 0.080 nan 8.240 nan 0.000 0.466 207 P HA 0.111 nan 4.420 nan 0.000 0.265 207 P C -1.138 176.309 177.300 0.245 0.000 1.193 207 P CA -0.306 62.883 63.100 0.149 0.000 0.765 207 P CB 0.341 32.079 31.700 0.064 0.000 0.823 208 W N 6.053 127.437 121.300 0.139 0.000 2.376 208 W HA 0.440 5.100 4.660 -0.001 0.000 0.322 208 W C -0.081 176.522 176.519 0.139 0.000 1.160 208 W CA 0.016 57.471 57.345 0.183 0.000 1.218 208 W CB 0.757 30.413 29.460 0.327 0.000 1.205 208 W HN 0.323 nan 8.180 nan 0.000 0.559 209 R N 5.130 125.241 120.500 -0.647 0.000 2.663 209 R HA 0.454 4.794 4.340 -0.001 0.000 0.267 209 R C -2.135 173.705 176.300 -0.766 0.000 1.038 209 R CA -0.725 54.978 56.100 -0.662 0.000 0.886 209 R CB 1.229 31.318 30.300 -0.352 0.000 1.249 209 R HN 0.702 nan 8.270 nan 0.000 0.463 210 Y N -1.462 118.476 120.300 -0.602 0.000 2.615 210 Y HA 0.602 5.151 4.550 -0.001 0.000 0.341 210 Y C -1.094 174.741 175.900 -0.109 0.000 1.089 210 Y CA -1.685 56.188 58.100 -0.380 0.000 1.049 210 Y CB 0.819 39.096 38.460 -0.304 0.000 1.296 210 Y HN 0.486 nan 8.280 nan 0.000 0.470 211 Y N 1.417 121.912 120.300 0.325 0.000 2.480 211 Y HA 0.301 4.851 4.550 -0.001 0.000 0.338 211 Y C -0.510 175.693 175.900 0.505 0.000 1.220 211 Y CA 0.193 58.522 58.100 0.381 0.000 1.430 211 Y CB 0.627 39.320 38.460 0.388 0.000 1.311 211 Y HN 0.617 nan 8.280 nan 0.000 0.575 212 F N 2.999 123.278 119.950 0.549 0.000 2.547 212 F HA 0.247 4.774 4.527 -0.001 0.000 0.316 212 F C -0.365 175.753 175.800 0.530 0.000 1.121 212 F CA -1.115 57.133 58.000 0.415 0.000 0.911 212 F CB 1.087 40.226 39.000 0.231 0.000 1.179 212 F HN 0.371 nan 8.300 nan 0.000 0.443 213 Q N 4.758 124.567 119.800 0.015 0.000 2.326 213 Q HA 0.047 4.387 4.340 -0.001 0.000 0.314 213 Q C -1.304 174.916 176.000 0.367 0.000 1.091 213 Q CA 1.005 56.825 55.803 0.028 0.000 0.974 213 Q CB 0.643 29.244 28.738 -0.229 0.000 1.220 213 Q HN 0.758 nan 8.270 nan 0.000 0.398 214 W N 2.488 123.826 121.300 0.063 0.000 3.146 214 W HA 0.484 5.143 4.660 -0.001 0.000 0.319 214 W C -1.767 174.705 176.519 -0.078 0.000 1.258 214 W CA -0.909 56.448 57.345 0.020 0.000 1.189 214 W CB 0.828 30.386 29.460 0.163 0.000 1.412 214 W HN 0.341 nan 8.180 nan 0.000 0.567 215 D N 2.548 122.885 120.400 -0.105 0.000 2.408 215 D HA 0.381 5.021 4.640 -0.001 0.000 0.243 215 D C -1.038 175.304 176.300 0.070 0.000 1.075 215 D CA -0.412 53.522 54.000 -0.111 0.000 0.832 215 D CB 1.533 42.282 40.800 -0.085 0.000 1.162 215 D HN 0.442 nan 8.370 nan 0.000 0.515 216 R N 2.197 122.797 120.500 0.167 0.000 2.673 216 R HA 0.482 4.822 4.340 -0.001 0.000 0.281 216 R C -1.577 174.868 176.300 0.243 0.000 0.991 216 R CA -0.425 55.844 56.100 0.281 0.000 0.896 216 R CB 1.804 32.383 30.300 0.466 0.000 1.201 216 R HN 0.369 nan 8.270 nan 0.000 0.457 217 T N 4.310 118.998 114.554 0.222 0.000 2.848 217 T HA 0.526 4.876 4.350 -0.001 0.000 0.285 217 T C -1.254 173.509 174.700 0.105 0.000 0.995 217 T CA -0.509 61.702 62.100 0.185 0.000 0.970 217 T CB 1.129 70.171 68.868 0.289 0.000 0.976 217 T HN 0.422 nan 8.240 nan 0.000 0.441 218 L N 4.802 126.073 121.223 0.080 0.000 2.491 218 L HA 0.612 4.951 4.340 -0.001 0.000 0.267 218 L C -1.396 175.488 176.870 0.023 0.000 0.971 218 L CA -0.447 54.420 54.840 0.046 0.000 0.857 218 L CB 0.939 43.026 42.059 0.047 0.000 1.226 218 L HN 0.661 nan 8.230 nan 0.000 0.408 219 I N 6.779 127.356 120.570 0.011 0.000 2.371 219 I HA 0.339 4.508 4.170 -0.001 0.000 0.290 219 I C -1.733 174.372 176.117 -0.020 0.000 1.028 219 I CA -1.631 59.669 61.300 -0.001 0.000 1.345 219 I CB 1.119 39.119 38.000 -0.000 0.000 1.407 219 I HN 0.515 nan 8.210 nan 0.000 0.501 220 P HA 0.135 nan 4.420 nan 0.000 0.270 220 P C -0.744 176.532 177.300 -0.040 0.000 1.223 220 P CA -0.101 62.977 63.100 -0.036 0.000 0.785 220 P CB 0.723 32.408 31.700 -0.025 0.000 0.923 221 S N -0.292 115.379 115.700 -0.049 0.000 2.655 221 S HA 0.681 5.150 4.470 -0.001 0.000 0.266 221 S C -1.367 173.201 174.600 -0.052 0.000 1.149 221 S CA -0.835 57.305 58.200 -0.100 0.000 0.818 221 S CB 1.135 64.249 63.200 -0.142 0.000 1.130 221 S HN 0.755 nan 8.310 nan 0.000 0.476 222 H N -2.361 116.695 119.070 -0.023 0.000 2.941 222 H HA 0.699 5.254 4.556 -0.001 0.000 0.344 222 H C 1.029 176.347 175.328 -0.017 0.000 1.235 222 H CA -0.231 55.804 56.048 -0.021 0.000 1.149 222 H CB 0.232 29.984 29.762 -0.015 0.000 1.885 222 H HN 0.408 nan 8.280 nan 0.000 0.558 223 T N 0.304 114.975 114.554 0.195 0.000 2.649 223 T HA -0.215 4.134 4.350 -0.001 0.000 0.268 223 T C 2.116 176.893 174.700 0.127 0.000 1.036 223 T CA 2.539 64.712 62.100 0.121 0.000 1.157 223 T CB -0.911 68.020 68.868 0.106 0.000 0.861 223 T HN 0.836 nan 8.240 nan 0.000 0.445 224 G N 0.864 109.890 108.800 0.377 0.000 2.422 224 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.218 224 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.218 224 G C 0.740 175.640 174.900 0.001 0.000 1.146 224 G CA 0.838 46.085 45.100 0.244 0.000 0.769 224 G HN 0.476 nan 8.290 nan 0.000 0.547 225 T N 1.385 115.674 114.554 -0.442 0.000 2.781 225 T HA 0.215 4.565 4.350 -0.001 0.000 0.270 225 T C 0.731 175.337 174.700 -0.156 0.000 1.022 225 T CA 0.814 62.672 62.100 -0.403 0.000 1.144 225 T CB 0.249 68.816 68.868 -0.503 0.000 1.039 225 T HN 0.490 nan 8.240 nan 0.000 0.494 226 S N 2.388 118.029 115.700 -0.098 0.000 2.525 226 S HA 0.780 5.250 4.470 -0.001 0.000 0.290 226 S C 0.646 175.215 174.600 -0.052 0.000 1.152 226 S CA -0.175 57.992 58.200 -0.054 0.000 1.072 226 S CB 1.636 64.819 63.200 -0.028 0.000 1.027 226 S HN 1.548 nan 8.310 nan 0.000 0.500 227 G N 1.649 110.425 108.800 -0.040 0.000 2.693 227 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.226 227 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.226 227 G C -0.236 174.640 174.900 -0.040 0.000 1.354 227 G CA -0.349 44.730 45.100 -0.034 0.000 0.873 227 G HN 1.981 nan 8.290 nan 0.000 0.562 228 T N -0.759 113.776 114.554 -0.033 0.000 2.809 228 T HA 0.642 4.991 4.350 -0.001 0.000 0.296 228 T C -0.754 173.927 174.700 -0.031 0.000 1.015 228 T CA -0.430 61.650 62.100 -0.033 0.000 0.954 228 T CB 1.705 70.557 68.868 -0.026 0.000 0.950 228 T HN 0.526 nan 8.240 nan 0.000 0.450 229 P HA -0.095 nan 4.420 nan 0.000 0.216 229 P C -0.043 177.247 177.300 -0.016 0.000 1.167 229 P CA 1.282 64.362 63.100 -0.032 0.000 0.933 229 P CB 0.058 31.734 31.700 -0.041 0.000 0.793 230 T N -1.950 112.597 114.554 -0.012 0.000 3.582 230 T HA 0.029 4.379 4.350 -0.001 0.000 0.337 230 T C -1.375 173.326 174.700 0.001 0.000 0.788 230 T CA -0.732 61.367 62.100 -0.001 0.000 0.995 230 T CB -1.079 67.797 68.868 0.013 0.000 1.338 230 T HN 0.111 nan 8.240 nan 0.000 0.444 231 N N 4.129 122.825 118.700 -0.006 0.000 2.716 231 N HA 0.495 5.235 4.740 -0.001 0.000 0.253 231 N C -0.947 174.554 175.510 -0.016 0.000 1.170 231 N CA -0.322 52.727 53.050 -0.001 0.000 0.807 231 N CB 0.587 39.071 38.487 -0.005 0.000 1.183 231 N HN 0.649 nan 8.380 nan 0.000 0.524 232 I N 2.186 122.730 120.570 -0.044 0.000 2.569 232 I HA 0.280 4.450 4.170 -0.001 0.000 0.296 232 I C -1.009 175.017 176.117 -0.150 0.000 1.028 232 I CA -1.108 60.102 61.300 -0.150 0.000 1.082 232 I CB 2.169 39.958 38.000 -0.352 0.000 1.264 232 I HN 0.314 nan 8.210 nan 0.000 0.429 233 Y N 4.582 124.762 120.300 -0.199 0.000 2.491 233 Y HA 0.327 4.876 4.550 -0.001 0.000 0.334 233 Y C 0.578 176.416 175.900 -0.102 0.000 0.969 233 Y CA -0.246 57.819 58.100 -0.059 0.000 1.241 233 Y CB 0.452 38.905 38.460 -0.011 0.000 1.105 233 Y HN 0.561 nan 8.280 nan 0.000 0.503 234 H N 3.262 122.216 119.070 -0.194 0.000 2.436 234 H HA 0.289 4.845 4.556 -0.001 0.000 0.294 234 H C 1.384 176.608 175.328 -0.174 0.000 1.048 234 H CA 1.053 57.025 56.048 -0.127 0.000 1.353 234 H CB 0.230 29.934 29.762 -0.097 0.000 1.414 234 H HN 0.895 nan 8.280 nan 0.000 0.536 235 G N -0.855 107.721 108.800 -0.373 0.000 2.255 235 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.216 235 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.216 235 G C -0.873 174.000 174.900 -0.045 0.000 1.307 235 G CA -0.361 44.653 45.100 -0.143 0.000 1.162 235 G HN 0.191 nan 8.290 nan 0.000 0.494 236 T N 1.886 116.495 114.554 0.092 0.000 2.829 236 T HA 0.592 4.941 4.350 -0.001 0.000 0.280 236 T C -1.229 173.498 174.700 0.045 0.000 0.999 236 T CA -0.529 61.640 62.100 0.117 0.000 0.983 236 T CB 1.566 70.589 68.868 0.258 0.000 0.968 236 T HN 0.485 nan 8.240 nan 0.000 0.446 237 D N 4.262 124.655 120.400 -0.011 0.000 2.277 237 D HA 0.196 4.835 4.640 -0.001 0.000 0.249 237 D C -1.555 174.725 176.300 -0.032 0.000 1.134 237 D CA -1.823 52.156 54.000 -0.035 0.000 0.863 237 D CB 1.838 42.595 40.800 -0.073 0.000 1.143 237 D HN 0.162 nan 8.370 nan 0.000 0.458 238 P HA -0.140 nan 4.420 nan 0.000 0.216 238 P C 0.497 177.778 177.300 -0.032 0.000 1.150 238 P CA 1.043 64.138 63.100 -0.009 0.000 0.843 238 P CB 0.303 32.004 31.700 0.001 0.000 0.787 239 D N -1.154 119.221 120.400 -0.042 0.000 2.363 239 D HA -0.050 4.590 4.640 -0.001 0.000 0.226 239 D C 0.371 176.628 176.300 -0.071 0.000 1.020 239 D CA 0.817 54.787 54.000 -0.049 0.000 0.892 239 D CB -0.286 40.488 40.800 -0.045 0.000 0.900 239 D HN 0.258 nan 8.370 nan 0.000 0.531 240 D N -0.255 120.087 120.400 -0.097 0.000 2.527 240 D HA 0.063 4.703 4.640 -0.001 0.000 0.224 240 D C 0.108 176.288 176.300 -0.200 0.000 1.217 240 D CA -0.125 53.795 54.000 -0.133 0.000 0.819 240 D CB 1.361 42.074 40.800 -0.146 0.000 1.061 240 D HN -0.051 nan 8.370 nan 0.000 0.515 241 V N 1.680 121.481 119.914 -0.188 0.000 2.470 241 V HA 0.143 4.262 4.120 -0.001 0.000 0.276 241 V C 0.206 176.184 176.094 -0.193 0.000 1.040 241 V CA 0.283 62.420 62.300 -0.272 0.000 1.008 241 V CB 1.025 32.792 31.823 -0.092 0.000 0.990 241 V HN -0.009 nan 8.190 nan 0.000 0.477 242 Q N 4.975 124.628 119.800 -0.244 0.000 2.533 242 Q HA 0.366 4.706 4.340 -0.001 0.000 0.251 242 Q C -1.030 174.939 176.000 -0.052 0.000 0.966 242 Q CA -0.220 55.443 55.803 -0.233 0.000 0.714 242 Q CB 2.289 30.840 28.738 -0.313 0.000 1.284 242 Q HN 0.808 nan 8.270 nan 0.000 0.478 243 F N 3.289 123.167 119.950 -0.120 0.000 2.371 243 F HA 0.410 4.937 4.527 -0.001 0.000 0.363 243 F C -1.235 174.520 175.800 -0.076 0.000 1.122 243 F CA -0.764 57.291 58.000 0.092 0.000 1.129 243 F CB 0.536 39.611 39.000 0.126 0.000 1.173 243 F HN 0.419 nan 8.300 nan 0.000 0.489 244 Y N 3.504 123.895 120.300 0.151 0.000 2.361 244 Y HA 0.435 4.984 4.550 -0.001 0.000 0.332 244 Y C 0.231 175.896 175.900 -0.392 0.000 1.101 244 Y CA -0.724 57.265 58.100 -0.185 0.000 1.137 244 Y CB 2.160 40.517 38.460 -0.171 0.000 1.207 244 Y HN 0.405 nan 8.280 nan 0.000 0.463 245 T N 3.945 118.336 114.554 -0.272 0.000 2.881 245 T HA 0.380 4.729 4.350 -0.001 0.000 0.290 245 T C 1.113 175.726 174.700 -0.144 0.000 1.000 245 T CA -0.514 61.373 62.100 -0.355 0.000 0.978 245 T CB 0.901 69.452 68.868 -0.528 0.000 0.997 245 T HN 0.617 nan 8.240 nan 0.000 0.443 246 I N 1.659 122.163 120.570 -0.110 0.000 2.353 246 I HA -0.106 4.063 4.170 -0.001 0.000 0.248 246 I C 2.132 178.116 176.117 -0.223 0.000 1.119 246 I CA 1.144 62.221 61.300 -0.371 0.000 1.417 246 I CB 0.058 37.471 38.000 -0.978 0.000 1.078 246 I HN 0.637 nan 8.210 nan 0.000 0.421 247 E N 1.111 121.287 120.200 -0.039 0.000 2.085 247 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 247 E C 1.706 178.289 176.600 -0.027 0.000 0.994 247 E CA 1.489 57.907 56.400 0.029 0.000 0.801 247 E CB -0.359 29.422 29.700 0.134 0.000 0.743 247 E HN 0.490 nan 8.360 nan 0.000 0.453 248 N N -0.925 117.738 118.700 -0.060 0.000 2.457 248 N HA -0.037 4.702 4.740 -0.001 0.000 0.180 248 N C 0.894 176.367 175.510 -0.062 0.000 1.050 248 N CA 1.034 54.047 53.050 -0.062 0.000 0.906 248 N CB 0.344 38.777 38.487 -0.090 0.000 0.968 248 N HN 0.129 nan 8.380 nan 0.000 0.445 249 S N -1.610 114.039 115.700 -0.085 0.000 2.666 249 S HA 0.307 4.776 4.470 -0.001 0.000 0.239 249 S C 0.041 174.590 174.600 -0.085 0.000 1.031 249 S CA -0.502 57.655 58.200 -0.072 0.000 1.015 249 S CB 0.430 63.595 63.200 -0.059 0.000 0.981 249 S HN -0.124 nan 8.310 nan 0.000 0.547 250 V N 2.167 122.013 119.914 -0.114 0.000 2.841 250 V HA 0.541 4.661 4.120 -0.001 0.000 0.310 250 V C -2.991 173.040 176.094 -0.105 0.000 1.090 250 V CA -2.043 60.191 62.300 -0.109 0.000 0.930 250 V CB 1.814 33.540 31.823 -0.162 0.000 1.014 250 V HN 0.033 nan 8.190 nan 0.000 0.425 251 P HA 0.316 nan 4.420 nan 0.000 0.276 251 P C -0.805 176.365 177.300 -0.217 0.000 1.243 251 P CA -0.092 62.925 63.100 -0.139 0.000 0.768 251 P CB 0.808 32.428 31.700 -0.135 0.000 0.856 252 V N 4.994 124.805 119.914 -0.172 0.000 2.439 252 V HA 0.194 4.314 4.120 -0.001 0.000 0.282 252 V C 0.367 176.350 176.094 -0.184 0.000 1.039 252 V CA -0.486 61.757 62.300 -0.096 0.000 0.913 252 V CB 0.509 32.391 31.823 0.098 0.000 0.983 252 V HN 0.568 nan 8.190 nan 0.000 0.460 253 H N 4.670 123.783 119.070 0.073 0.000 2.467 253 H HA 0.446 5.001 4.556 -0.001 0.000 0.326 253 H C -0.942 174.418 175.328 0.053 0.000 1.094 253 H CA -0.730 55.362 56.048 0.073 0.000 1.253 253 H CB 1.960 31.779 29.762 0.094 0.000 1.439 253 H HN 0.285 nan 8.280 nan 0.000 0.479 254 L N 4.672 125.996 121.223 0.168 0.000 2.265 254 L HA 0.264 4.604 4.340 -0.001 0.000 0.289 254 L C -0.140 176.785 176.870 0.092 0.000 1.033 254 L CA 0.018 54.916 54.840 0.097 0.000 0.814 254 L CB 0.716 42.815 42.059 0.067 0.000 1.203 254 L HN 0.339 nan 8.230 nan 0.000 0.423 255 L N 4.132 125.390 121.223 0.058 0.000 2.322 255 L HA 0.614 4.954 4.340 -0.001 0.000 0.281 255 L C 0.327 177.218 176.870 0.035 0.000 1.014 255 L CA -0.719 54.152 54.840 0.052 0.000 0.815 255 L CB 1.809 43.889 42.059 0.034 0.000 1.247 255 L HN 0.595 nan 8.230 nan 0.000 0.421 256 R N 0.431 120.958 120.500 0.044 0.000 2.810 256 R HA 0.405 4.745 4.340 -0.001 0.000 0.245 256 R C 0.990 177.321 176.300 0.051 0.000 1.168 256 R CA -0.734 55.388 56.100 0.037 0.000 1.096 256 R CB 1.218 31.538 30.300 0.034 0.000 1.259 256 R HN 0.540 nan 8.270 nan 0.000 0.518 257 T N 0.218 114.801 114.554 0.049 0.000 2.685 257 T HA -0.178 4.171 4.350 -0.001 0.000 0.268 257 T C 1.535 176.284 174.700 0.081 0.000 1.034 257 T CA 1.953 64.093 62.100 0.067 0.000 1.149 257 T CB -0.382 68.520 68.868 0.057 0.000 0.860 257 T HN 0.833 nan 8.240 nan 0.000 0.449 258 G N 1.226 110.066 108.800 0.067 0.000 3.026 258 G HA2 0.063 4.023 3.960 -0.001 0.000 0.208 258 G HA3 0.063 4.023 3.960 -0.001 0.000 0.208 258 G C 0.005 174.949 174.900 0.074 0.000 1.169 258 G CA -0.173 44.968 45.100 0.069 0.000 0.788 258 G HN 0.362 nan 8.290 nan 0.000 0.533 259 D N -0.002 120.447 120.400 0.081 0.000 2.332 259 D HA 0.462 5.102 4.640 -0.001 0.000 0.252 259 D C -0.259 176.110 176.300 0.115 0.000 1.050 259 D CA -0.085 53.967 54.000 0.086 0.000 0.970 259 D CB 1.743 42.590 40.800 0.079 0.000 1.141 259 D HN 0.148 nan 8.370 nan 0.000 0.485 260 E N 0.699 120.968 120.200 0.115 0.000 2.352 260 E HA 0.286 4.635 4.350 -0.001 0.000 0.280 260 E C -1.972 174.716 176.600 0.147 0.000 0.930 260 E CA -0.618 55.874 56.400 0.154 0.000 0.765 260 E CB 1.914 31.695 29.700 0.136 0.000 1.219 260 E HN 0.279 nan 8.360 nan 0.000 0.434 261 F N 2.606 122.559 119.950 0.004 0.000 2.507 261 F HA 0.759 5.286 4.527 -0.001 0.000 0.325 261 F C -1.225 174.548 175.800 -0.044 0.000 1.116 261 F CA -0.270 57.691 58.000 -0.065 0.000 0.930 261 F CB 1.608 40.550 39.000 -0.096 0.000 1.146 261 F HN 0.532 nan 8.300 nan 0.000 0.447 262 A N 3.796 126.160 122.820 -0.760 0.000 2.413 262 A HA 0.756 5.075 4.320 -0.001 0.000 0.307 262 A C -0.886 176.231 177.584 -0.779 0.000 1.087 262 A CA -0.628 51.090 52.037 -0.531 0.000 0.750 262 A CB 1.571 20.377 19.000 -0.324 0.000 1.296 262 A HN 0.691 nan 8.150 nan 0.000 0.423 263 T N 0.562 114.876 114.554 -0.400 0.000 2.925 263 T HA 0.616 4.965 4.350 -0.001 0.000 0.285 263 T C 0.944 175.497 174.700 -0.244 0.000 1.021 263 T CA 0.430 62.359 62.100 -0.285 0.000 1.042 263 T CB 1.492 70.281 68.868 -0.132 0.000 1.037 263 T HN 1.079 nan 8.240 nan 0.000 0.481 264 G N 0.955 109.645 108.800 -0.184 0.000 2.516 264 G HA2 0.409 4.368 3.960 -0.001 0.000 0.276 264 G HA3 0.409 4.368 3.960 -0.001 0.000 0.276 264 G C -0.201 174.586 174.900 -0.189 0.000 1.390 264 G CA -0.299 44.706 45.100 -0.158 0.000 1.050 264 G HN 0.644 nan 8.290 nan 0.000 0.519 265 T N -0.119 114.321 114.554 -0.191 0.000 2.909 265 T HA 0.441 4.791 4.350 -0.001 0.000 0.286 265 T C -1.203 173.291 174.700 -0.344 0.000 1.002 265 T CA 0.084 61.985 62.100 -0.332 0.000 1.074 265 T CB 1.014 69.626 68.868 -0.427 0.000 0.984 265 T HN 0.291 nan 8.240 nan 0.000 0.495 266 F N 3.161 122.733 119.950 -0.630 0.000 2.482 266 F HA 0.637 5.164 4.527 -0.001 0.000 0.331 266 F C -1.617 173.696 175.800 -0.811 0.000 1.115 266 F CA -1.650 56.006 58.000 -0.573 0.000 0.955 266 F CB 0.732 39.413 39.000 -0.532 0.000 1.136 266 F HN 0.432 nan 8.300 nan 0.000 0.452 267 F N 6.622 126.129 119.950 -0.739 0.000 2.404 267 F HA 0.430 4.957 4.527 -0.001 0.000 0.354 267 F C -0.432 175.029 175.800 -0.566 0.000 1.122 267 F CA -0.659 57.051 58.000 -0.483 0.000 1.080 267 F CB 0.639 39.441 39.000 -0.330 0.000 1.131 267 F HN 0.258 nan 8.300 nan 0.000 0.471 268 F N 1.737 121.682 119.950 -0.008 0.000 2.444 268 F HA 0.166 4.693 4.527 -0.001 0.000 0.331 268 F C 0.769 176.554 175.800 -0.025 0.000 1.167 268 F CA -0.085 57.915 58.000 0.000 0.000 1.262 268 F CB 0.502 39.428 39.000 -0.125 0.000 1.196 268 F HN 0.365 nan 8.300 nan 0.000 0.583 269 D N 2.105 122.625 120.400 0.199 0.000 2.443 269 D HA 0.322 4.962 4.640 -0.001 0.000 0.281 269 D C -1.453 174.919 176.300 0.121 0.000 1.210 269 D CA 0.003 54.065 54.000 0.104 0.000 0.875 269 D CB 0.467 41.291 40.800 0.040 0.000 1.125 269 D HN 0.417 nan 8.370 nan 0.000 0.503 270 C N 1.485 120.860 119.300 0.124 0.000 2.913 270 C HA 0.544 5.003 4.460 -0.001 0.000 0.322 270 C C 0.217 175.284 174.990 0.128 0.000 1.292 270 C CA -1.002 58.103 59.018 0.144 0.000 1.649 270 C CB 1.769 29.639 27.740 0.216 0.000 2.139 270 C HN 0.329 nan 8.230 nan 0.000 0.475 271 K N 1.780 122.263 120.400 0.139 0.000 2.154 271 K HA 0.380 4.699 4.320 -0.001 0.000 0.264 271 K C -2.309 174.359 176.600 0.114 0.000 1.008 271 K CA -0.648 55.687 56.287 0.080 0.000 0.937 271 K CB 0.254 32.788 32.500 0.057 0.000 1.002 271 K HN 0.512 nan 8.250 nan 0.000 0.469 272 P HA 0.007 nan 4.420 nan 0.000 0.274 272 P C -0.704 176.660 177.300 0.107 0.000 1.237 272 P CA -0.483 62.567 63.100 -0.083 0.000 0.793 272 P CB 0.777 32.212 31.700 -0.441 0.000 0.977 273 C N 3.589 123.023 119.300 0.224 0.000 2.322 273 C HA 0.459 4.919 4.460 -0.001 0.000 0.324 273 C C 0.438 175.506 174.990 0.131 0.000 1.284 273 C CA -0.638 58.424 59.018 0.073 0.000 1.606 273 C CB -0.249 27.428 27.740 -0.106 0.000 2.251 273 C HN 0.538 nan 8.230 nan 0.000 0.502 274 R N 4.421 124.969 120.500 0.080 0.000 2.410 274 R HA 0.419 4.759 4.340 -0.001 0.000 0.288 274 R C -0.095 176.243 176.300 0.063 0.000 1.051 274 R CA -0.288 55.860 56.100 0.080 0.000 1.021 274 R CB 0.767 31.106 30.300 0.065 0.000 1.032 274 R HN 0.747 nan 8.270 nan 0.000 0.481 275 L N 1.886 123.133 121.223 0.040 0.000 3.034 275 L HA 0.226 4.565 4.340 -0.001 0.000 0.245 275 L C -0.081 176.804 176.870 0.025 0.000 1.295 275 L CA 0.077 54.923 54.840 0.010 0.000 1.068 275 L CB 0.647 42.667 42.059 -0.066 0.000 1.426 275 L HN 0.618 nan 8.230 nan 0.000 0.531 276 T N -0.787 113.798 114.554 0.053 0.000 2.906 276 T HA 0.454 4.803 4.350 -0.001 0.000 0.295 276 T C -1.138 173.626 174.700 0.107 0.000 1.075 276 T CA -0.457 61.668 62.100 0.042 0.000 1.005 276 T CB 1.709 70.572 68.868 -0.009 0.000 1.136 276 T HN 0.325 nan 8.240 nan 0.000 0.498 277 H N -0.298 118.811 119.070 0.066 0.000 2.747 277 H HA 0.688 5.243 4.556 -0.001 0.000 0.371 277 H C -0.761 174.630 175.328 0.105 0.000 1.161 277 H CA -0.770 55.338 56.048 0.101 0.000 1.167 277 H CB 1.362 31.211 29.762 0.145 0.000 1.732 277 H HN 0.673 nan 8.280 nan 0.000 0.544 278 T N -0.119 114.526 114.554 0.151 0.000 2.928 278 T HA 0.220 4.569 4.350 -0.001 0.000 0.284 278 T C 0.758 175.589 174.700 0.219 0.000 1.008 278 T CA -0.840 61.277 62.100 0.029 0.000 1.057 278 T CB 1.201 70.051 68.868 -0.030 0.000 1.018 278 T HN 0.939 nan 8.240 nan 0.000 0.493 279 W N 0.382 121.756 121.300 0.123 0.000 2.592 279 W HA 0.307 4.966 4.660 -0.001 0.000 0.306 279 W C -0.259 176.320 176.519 0.099 0.000 0.991 279 W CA -0.666 56.772 57.345 0.155 0.000 1.430 279 W CB -0.070 29.485 29.460 0.158 0.000 1.017 279 W HN 0.530 nan 8.180 nan 0.000 0.557 280 Q N 2.886 122.260 119.800 -0.711 0.000 2.314 280 Q HA 0.247 4.587 4.340 -0.001 0.000 0.258 280 Q C 0.639 176.539 176.000 -0.167 0.000 0.954 280 Q CA 0.833 56.264 55.803 -0.621 0.000 0.890 280 Q CB 1.565 29.828 28.738 -0.791 0.000 1.210 280 Q HN 0.083 nan 8.270 nan 0.000 0.410 281 T N -1.757 112.776 114.554 -0.035 0.000 2.938 281 T HA 0.246 4.595 4.350 -0.001 0.000 0.285 281 T C 0.891 175.583 174.700 -0.013 0.000 1.028 281 T CA -0.868 61.238 62.100 0.010 0.000 1.005 281 T CB 0.901 69.811 68.868 0.071 0.000 1.157 281 T HN 0.560 nan 8.240 nan 0.000 0.550 282 N N -0.038 118.658 118.700 -0.006 0.000 2.247 282 N HA -0.143 4.596 4.740 -0.001 0.000 0.189 282 N C 1.686 177.196 175.510 -0.001 0.000 1.009 282 N CA 0.753 53.790 53.050 -0.022 0.000 0.872 282 N CB -0.028 38.450 38.487 -0.014 0.000 0.980 282 N HN 0.377 nan 8.380 nan 0.000 0.436 283 R N 0.396 120.916 120.500 0.034 0.000 2.280 283 R HA 0.054 4.394 4.340 -0.001 0.000 0.207 283 R C 0.617 176.963 176.300 0.077 0.000 1.043 283 R CA 0.180 56.315 56.100 0.059 0.000 1.006 283 R CB 0.061 30.408 30.300 0.079 0.000 0.885 283 R HN 0.108 nan 8.270 nan 0.000 0.467 284 A N 0.716 123.576 122.820 0.068 0.000 2.749 284 A HA 0.374 4.694 4.320 -0.001 0.000 0.299 284 A C -0.171 177.431 177.584 0.032 0.000 1.105 284 A CA -0.391 51.704 52.037 0.097 0.000 0.987 284 A CB 0.206 19.328 19.000 0.204 0.000 1.180 284 A HN 0.033 nan 8.150 nan 0.000 0.528 285 L N 0.301 121.542 121.223 0.030 0.000 2.325 285 L HA 0.721 5.060 4.340 -0.001 0.000 0.281 285 L C 0.786 177.732 176.870 0.126 0.000 1.004 285 L CA -0.030 54.841 54.840 0.052 0.000 0.823 285 L CB 1.495 43.484 42.059 -0.116 0.000 1.236 285 L HN 0.632 nan 8.230 nan 0.000 0.415 286 G N 2.417 111.380 108.800 0.271 0.000 2.472 286 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.205 286 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.205 286 G C -1.426 173.561 174.900 0.146 0.000 1.270 286 G CA -0.822 44.425 45.100 0.247 0.000 0.974 286 G HN 0.481 nan 8.290 nan 0.000 0.542 287 L N 2.476 123.771 121.223 0.120 0.000 2.278 287 L HA 0.663 5.002 4.340 -0.001 0.000 0.287 287 L C -1.350 175.578 176.870 0.097 0.000 1.072 287 L CA -1.270 53.629 54.840 0.098 0.000 0.819 287 L CB 0.307 42.419 42.059 0.089 0.000 1.176 287 L HN 0.549 nan 8.230 nan 0.000 0.435 288 P HA 0.303 nan 4.420 nan 0.000 0.273 288 P C -2.638 174.718 177.300 0.094 0.000 1.250 288 P CA -0.919 62.233 63.100 0.086 0.000 0.793 288 P CB -0.303 31.442 31.700 0.074 0.000 1.011 289 P HA 0.113 nan 4.420 nan 0.000 0.276 289 P C -0.792 176.582 177.300 0.123 0.000 1.230 289 P CA -0.244 62.923 63.100 0.111 0.000 0.776 289 P CB 0.381 32.134 31.700 0.088 0.000 0.888 290 F N 4.093 124.064 119.950 0.036 0.000 2.543 290 F HA 0.148 4.675 4.527 -0.001 0.000 0.375 290 F C -0.039 175.780 175.800 0.032 0.000 1.075 290 F CA -0.194 57.825 58.000 0.032 0.000 1.225 290 F CB 0.197 39.214 39.000 0.028 0.000 1.099 290 F HN 0.130 nan 8.300 nan 0.000 0.561 291 L N 7.213 128.041 121.223 -0.658 0.000 2.260 291 L HA 0.238 4.578 4.340 -0.001 0.000 0.289 291 L C 0.488 177.067 176.870 -0.486 0.000 1.057 291 L CA -0.294 54.306 54.840 -0.400 0.000 0.811 291 L CB 0.711 42.597 42.059 -0.287 0.000 1.184 291 L HN 0.671 nan 8.230 nan 0.000 0.429 292 N N 0.460 119.130 118.700 -0.051 0.000 2.461 292 N HA -0.045 4.695 4.740 -0.001 0.000 0.188 292 N C 0.086 175.617 175.510 0.035 0.000 1.134 292 N CA 0.189 53.312 53.050 0.122 0.000 0.878 292 N CB 0.386 39.000 38.487 0.212 0.000 0.972 292 N HN 0.437 nan 8.380 nan 0.000 0.456 293 S N 0.328 116.014 115.700 -0.024 0.000 2.779 293 S HA 0.465 4.934 4.470 -0.001 0.000 0.293 293 S C -1.113 173.467 174.600 -0.032 0.000 1.150 293 S CA -0.737 57.458 58.200 -0.008 0.000 1.057 293 S CB 0.215 63.425 63.200 0.017 0.000 1.021 293 S HN 0.028 nan 8.310 nan 0.000 0.485 294 L N 4.504 125.706 121.223 -0.034 0.000 2.344 294 L HA 0.596 4.936 4.340 -0.001 0.000 0.272 294 L C -2.040 174.820 176.870 -0.017 0.000 1.035 294 L CA -2.397 52.422 54.840 -0.036 0.000 0.807 294 L CB 1.278 43.306 42.059 -0.051 0.000 1.237 294 L HN 0.450 nan 8.230 nan 0.000 0.442 295 P HA 0.130 nan 4.420 nan 0.000 0.271 295 P C -0.564 176.721 177.300 -0.025 0.000 1.216 295 P CA -0.154 62.935 63.100 -0.018 0.000 0.776 295 P CB 0.590 32.279 31.700 -0.019 0.000 0.881 296 Q N -0.141 119.642 119.800 -0.028 0.000 2.217 296 Q HA 0.199 4.539 4.340 -0.001 0.000 0.217 296 Q C -0.475 175.506 176.000 -0.032 0.000 0.844 296 Q CA 0.168 55.956 55.803 -0.026 0.000 0.957 296 Q CB 0.589 29.315 28.738 -0.020 0.000 1.127 296 Q HN 0.368 nan 8.270 nan 0.000 0.503 297 S N 0.733 116.407 115.700 -0.042 0.000 2.614 297 S HA 0.243 4.712 4.470 -0.001 0.000 0.288 297 S C -0.725 173.842 174.600 -0.055 0.000 1.137 297 S CA -0.768 57.403 58.200 -0.047 0.000 0.992 297 S CB 2.114 65.281 63.200 -0.054 0.000 1.026 297 S HN 0.140 nan 8.310 nan 0.000 0.486 298 E N 1.143 121.315 120.200 -0.047 0.000 2.467 298 E HA 0.374 4.723 4.350 -0.001 0.000 0.264 298 E C 0.428 176.992 176.600 -0.061 0.000 1.020 298 E CA 0.597 56.968 56.400 -0.048 0.000 0.945 298 E CB 0.454 30.131 29.700 -0.038 0.000 0.942 298 E HN 0.963 nan 8.360 nan 0.000 0.449 299 G N 2.504 111.267 108.800 -0.062 0.000 2.957 299 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.636 299 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.636 299 G C -0.414 174.428 174.900 -0.096 0.000 1.401 299 G CA -0.844 44.210 45.100 -0.077 0.000 0.941 299 G HN 0.507 nan 8.290 nan 0.000 0.610 300 D N 1.382 121.746 120.400 -0.061 0.000 2.358 300 D HA 0.017 4.657 4.640 -0.001 0.000 0.241 300 D C 2.155 178.395 176.300 -0.100 0.000 1.094 300 D CA 1.338 55.329 54.000 -0.016 0.000 0.907 300 D CB 0.206 41.032 40.800 0.043 0.000 0.893 300 D HN 0.628 nan 8.370 nan 0.000 0.528 301 T N -3.217 111.152 114.554 -0.309 0.000 3.054 301 T HA 0.094 4.444 4.350 -0.001 0.000 0.255 301 T C 0.576 174.665 174.700 -1.018 0.000 1.035 301 T CA -0.504 61.216 62.100 -0.633 0.000 0.941 301 T CB 0.021 68.707 68.868 -0.304 0.000 1.026 301 T HN -0.163 nan 8.240 nan 0.000 0.533 302 N N 1.736 120.056 118.700 -0.634 0.000 2.589 302 N HA 0.481 5.220 4.740 -0.001 0.000 0.232 302 N C -1.039 174.285 175.510 -0.310 0.000 1.015 302 N CA -0.542 52.247 53.050 -0.434 0.000 0.931 302 N CB 0.181 38.546 38.487 -0.203 0.000 1.150 302 N HN 0.350 nan 8.380 nan 0.000 0.512 303 F N -0.081 119.860 119.950 -0.016 0.000 2.380 303 F HA 0.516 5.042 4.527 -0.001 0.000 0.325 303 F C 1.732 177.518 175.800 -0.023 0.000 1.136 303 F CA -0.903 57.087 58.000 -0.018 0.000 1.171 303 F CB 0.755 39.748 39.000 -0.012 0.000 1.230 303 F HN 0.273 nan 8.300 nan 0.000 0.554 304 G N -0.125 108.792 108.800 0.195 0.000 2.531 304 G HA2 0.443 4.403 3.960 -0.001 0.000 0.313 304 G HA3 0.443 4.403 3.960 -0.001 0.000 0.313 304 G C -2.036 172.902 174.900 0.064 0.000 1.238 304 G CA -0.291 44.853 45.100 0.074 0.000 0.994 304 G HN 0.612 nan 8.290 nan 0.000 0.493 305 D N -1.383 119.030 120.400 0.021 0.000 2.970 305 D HA 0.241 4.880 4.640 -0.001 0.000 0.230 305 D C 1.297 177.602 176.300 0.008 0.000 1.276 305 D CA -0.698 53.317 54.000 0.024 0.000 0.910 305 D CB 1.510 42.335 40.800 0.041 0.000 1.590 305 D HN 0.138 nan 8.370 nan 0.000 0.551 306 I N 2.666 123.247 120.570 0.018 0.000 2.151 306 I HA -0.085 4.084 4.170 -0.001 0.000 0.243 306 I C 1.745 177.903 176.117 0.068 0.000 1.080 306 I CA 1.406 62.729 61.300 0.038 0.000 1.339 306 I CB -0.403 37.631 38.000 0.056 0.000 1.039 306 I HN 0.807 nan 8.210 nan 0.000 0.409 307 G N 1.005 109.842 108.800 0.062 0.000 2.182 307 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.248 307 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.248 307 G C -0.181 174.766 174.900 0.079 0.000 1.042 307 G CA 0.099 45.241 45.100 0.070 0.000 0.775 307 G HN 0.243 nan 8.290 nan 0.000 0.501 308 V N 0.103 120.064 119.914 0.079 0.000 2.655 308 V HA 0.307 4.427 4.120 -0.001 0.000 0.301 308 V C 0.549 176.690 176.094 0.079 0.000 1.082 308 V CA -1.055 61.291 62.300 0.078 0.000 0.899 308 V CB 1.847 33.722 31.823 0.086 0.000 1.014 308 V HN 0.456 nan 8.190 nan 0.000 0.429 309 Q N 2.649 122.493 119.800 0.074 0.000 2.368 309 Q HA -0.069 4.270 4.340 -0.001 0.000 0.331 309 Q C 1.099 177.167 176.000 0.113 0.000 1.086 309 Q CA 0.541 56.396 55.803 0.087 0.000 1.031 309 Q CB 0.681 29.462 28.738 0.072 0.000 1.125 309 Q HN 0.680 nan 8.270 nan 0.000 0.389 310 Q N 1.528 121.425 119.800 0.162 0.000 2.234 310 Q HA -0.218 4.122 4.340 -0.001 0.000 0.206 310 Q C 0.649 176.798 176.000 0.250 0.000 0.980 310 Q CA 1.714 57.657 55.803 0.233 0.000 0.869 310 Q CB 0.097 29.017 28.738 0.302 0.000 0.912 310 Q HN 0.671 nan 8.270 nan 0.000 0.436 311 D N -1.145 119.344 120.400 0.150 0.000 2.340 311 D HA 0.009 4.649 4.640 -0.001 0.000 0.217 311 D C 0.448 176.738 176.300 -0.016 0.000 1.081 311 D CA 0.207 54.182 54.000 -0.041 0.000 0.842 311 D CB 0.182 40.831 40.800 -0.251 0.000 0.934 311 D HN 0.000 nan 8.370 nan 0.000 0.511 312 K N -0.151 120.269 120.400 0.033 0.000 2.592 312 K HA 0.259 4.578 4.320 -0.001 0.000 0.203 312 K C 0.199 176.822 176.600 0.039 0.000 1.070 312 K CA -0.464 55.838 56.287 0.026 0.000 1.062 312 K CB 1.184 33.700 32.500 0.027 0.000 0.814 312 K HN -0.019 nan 8.250 nan 0.000 0.502 313 R N 0.796 121.329 120.500 0.053 0.000 2.541 313 R HA 0.389 4.728 4.340 -0.001 0.000 0.263 313 R C 0.014 176.341 176.300 0.045 0.000 1.112 313 R CA -0.416 55.719 56.100 0.059 0.000 1.170 313 R CB 0.790 31.139 30.300 0.081 0.000 1.167 313 R HN -0.045 nan 8.270 nan 0.000 0.582 314 R N -0.520 120.006 120.500 0.044 0.000 2.740 314 R HA 0.676 5.016 4.340 -0.001 0.000 0.282 314 R C -0.403 175.921 176.300 0.040 0.000 0.969 314 R CA -0.711 55.409 56.100 0.033 0.000 0.918 314 R CB 2.253 32.567 30.300 0.023 0.000 1.175 314 R HN 0.860 nan 8.270 nan 0.000 0.464 315 G N 0.239 109.059 108.800 0.033 0.000 2.362 315 G HA2 0.165 4.124 3.960 -0.001 0.000 0.288 315 G HA3 0.165 4.124 3.960 -0.001 0.000 0.288 315 G C -1.757 173.160 174.900 0.028 0.000 1.305 315 G CA -0.892 44.229 45.100 0.035 0.000 0.910 315 G HN 0.350 nan 8.290 nan 0.000 0.518 316 V N -0.293 119.637 119.914 0.027 0.000 2.667 316 V HA 0.907 5.027 4.120 -0.001 0.000 0.308 316 V C 0.386 176.490 176.094 0.016 0.000 1.048 316 V CA -0.314 61.996 62.300 0.017 0.000 0.928 316 V CB 1.715 33.545 31.823 0.013 0.000 1.004 316 V HN 1.048 nan 8.190 nan 0.000 0.444 317 T N 1.750 116.308 114.554 0.006 0.000 2.868 317 T HA 0.338 4.688 4.350 -0.001 0.000 0.306 317 T C -0.381 174.309 174.700 -0.017 0.000 1.224 317 T CA -0.349 61.751 62.100 -0.000 0.000 1.012 317 T CB 2.077 70.950 68.868 0.008 0.000 1.221 317 T HN 0.743 nan 8.240 nan 0.000 0.499 318 Q N 1.480 121.263 119.800 -0.029 0.000 2.206 318 Q HA 0.399 4.738 4.340 -0.001 0.000 0.265 318 Q C -0.725 175.239 176.000 -0.061 0.000 0.866 318 Q CA -0.057 55.722 55.803 -0.039 0.000 1.073 318 Q CB 0.163 28.878 28.738 -0.038 0.000 1.165 318 Q HN 0.521 nan 8.270 nan 0.000 0.465 319 M N -0.176 119.380 119.600 -0.074 0.000 2.065 319 M HA 0.298 4.777 4.480 -0.001 0.000 0.308 319 M C 0.956 177.203 176.300 -0.088 0.000 0.939 319 M CA -0.371 54.857 55.300 -0.120 0.000 0.890 319 M CB 1.217 33.694 32.600 -0.205 0.000 1.383 319 M HN 0.217 nan 8.290 nan 0.000 0.381 320 G N 1.939 110.701 108.800 -0.063 0.000 2.479 320 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.220 320 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.220 320 G C 0.755 175.634 174.900 -0.036 0.000 1.115 320 G CA 0.927 46.002 45.100 -0.041 0.000 0.757 320 G HN 0.861 nan 8.290 nan 0.000 0.560 321 N N -0.564 118.108 118.700 -0.047 0.000 2.279 321 N HA 0.149 4.889 4.740 -0.001 0.000 0.226 321 N C 0.034 175.542 175.510 -0.003 0.000 1.126 321 N CA 0.258 53.296 53.050 -0.020 0.000 0.846 321 N CB 0.414 38.899 38.487 -0.004 0.000 1.050 321 N HN 0.241 nan 8.380 nan 0.000 0.502 322 T N -3.466 111.077 114.554 -0.019 0.000 2.816 322 T HA 0.329 4.679 4.350 -0.001 0.000 0.299 322 T C -0.461 174.228 174.700 -0.018 0.000 1.230 322 T CA -0.919 61.191 62.100 0.017 0.000 1.007 322 T CB 1.635 70.578 68.868 0.126 0.000 1.289 322 T HN -0.107 nan 8.240 nan 0.000 0.508 323 N N -0.528 118.120 118.700 -0.087 0.000 2.204 323 N HA 0.186 4.926 4.740 -0.001 0.000 0.219 323 N C -1.213 174.257 175.510 -0.067 0.000 1.151 323 N CA -0.191 52.803 53.050 -0.093 0.000 0.867 323 N CB 0.084 38.490 38.487 -0.136 0.000 1.043 323 N HN 0.546 nan 8.380 nan 0.000 0.516 324 Y N 1.100 121.459 120.300 0.098 0.000 2.436 324 Y HA 0.318 4.867 4.550 -0.001 0.000 0.343 324 Y C 0.705 176.662 175.900 0.094 0.000 1.008 324 Y CA -0.395 57.776 58.100 0.118 0.000 1.241 324 Y CB 0.496 39.078 38.460 0.204 0.000 1.153 324 Y HN -0.101 nan 8.280 nan 0.000 0.521 325 I N 4.582 125.300 120.570 0.247 0.000 2.347 325 I HA 0.213 4.382 4.170 -0.001 0.000 0.283 325 I C 0.009 176.220 176.117 0.158 0.000 1.058 325 I CA -0.034 61.362 61.300 0.160 0.000 1.202 325 I CB 0.510 38.575 38.000 0.109 0.000 1.386 325 I HN 0.546 nan 8.210 nan 0.000 0.475 326 T N 3.855 118.498 114.554 0.149 0.000 2.949 326 T HA 0.208 4.558 4.350 -0.001 0.000 0.287 326 T C 1.107 175.864 174.700 0.096 0.000 1.034 326 T CA -0.587 61.583 62.100 0.117 0.000 1.018 326 T CB 2.033 70.972 68.868 0.119 0.000 1.135 326 T HN 0.417 nan 8.240 nan 0.000 0.532 327 E N 0.713 120.962 120.200 0.082 0.000 2.338 327 E HA -0.030 4.320 4.350 -0.001 0.000 0.197 327 E C 1.688 178.335 176.600 0.078 0.000 1.007 327 E CA 0.459 56.903 56.400 0.073 0.000 0.849 327 E CB -0.072 29.666 29.700 0.063 0.000 0.774 327 E HN 0.628 nan 8.360 nan 0.000 0.506 328 A N -0.348 122.531 122.820 0.098 0.000 2.303 328 A HA 0.096 4.415 4.320 -0.001 0.000 0.217 328 A C 2.021 179.660 177.584 0.092 0.000 1.205 328 A CA 0.468 52.568 52.037 0.105 0.000 0.875 328 A CB 0.330 19.430 19.000 0.167 0.000 0.910 328 A HN 0.069 nan 8.150 nan 0.000 0.501 329 T N -0.532 114.082 114.554 0.099 0.000 3.038 329 T HA 0.259 4.609 4.350 -0.001 0.000 0.244 329 T C 0.828 175.558 174.700 0.050 0.000 1.016 329 T CA -0.209 61.941 62.100 0.083 0.000 1.098 329 T CB -0.188 68.758 68.868 0.131 0.000 0.954 329 T HN 0.378 nan 8.240 nan 0.000 0.469 330 I N 2.356 122.961 120.570 0.058 0.000 3.003 330 I HA 0.055 4.224 4.170 -0.001 0.000 0.294 330 I C 0.470 176.599 176.117 0.020 0.000 1.237 330 I CA -0.019 61.307 61.300 0.043 0.000 1.417 330 I CB 0.579 38.610 38.000 0.052 0.000 1.340 330 I HN 0.266 nan 8.210 nan 0.000 0.594 331 M N 6.963 126.569 119.600 0.010 0.000 2.238 331 M HA 0.264 4.744 4.480 -0.001 0.000 0.347 331 M C -0.866 175.422 176.300 -0.019 0.000 1.173 331 M CA 0.117 55.412 55.300 -0.008 0.000 1.147 331 M CB 0.227 32.821 32.600 -0.010 0.000 1.547 331 M HN 0.488 nan 8.290 nan 0.000 0.455 332 R N 3.895 124.368 120.500 -0.045 0.000 2.803 332 R HA 0.426 4.765 4.340 -0.001 0.000 0.276 332 R C -2.089 174.142 176.300 -0.116 0.000 0.978 332 R CA -1.717 54.331 56.100 -0.086 0.000 0.939 332 R CB 0.273 30.518 30.300 -0.090 0.000 1.179 332 R HN 0.534 nan 8.270 nan 0.000 0.472 333 P HA -0.183 nan 4.420 nan 0.000 0.217 333 P C -0.018 177.200 177.300 -0.135 0.000 1.162 333 P CA 1.838 64.831 63.100 -0.180 0.000 0.901 333 P CB 0.376 31.875 31.700 -0.334 0.000 0.793 334 A N -2.157 120.574 122.820 -0.148 0.000 3.742 334 A HA 0.570 4.890 4.320 -0.001 0.000 0.282 334 A C -1.387 176.141 177.584 -0.092 0.000 1.117 334 A CA -0.481 51.492 52.037 -0.106 0.000 0.624 334 A CB 0.449 19.389 19.000 -0.100 0.000 1.548 334 A HN -0.026 nan 8.150 nan 0.000 0.723 335 E N -0.071 120.087 120.200 -0.070 0.000 2.224 335 E HA 0.565 4.915 4.350 -0.001 0.000 0.265 335 E C -1.812 174.780 176.600 -0.014 0.000 0.878 335 E CA -0.561 55.815 56.400 -0.040 0.000 0.759 335 E CB 1.978 31.665 29.700 -0.023 0.000 1.164 335 E HN 0.410 nan 8.360 nan 0.000 0.414 336 V N 4.428 124.339 119.914 -0.005 0.000 2.432 336 V HA 0.589 4.709 4.120 -0.001 0.000 0.271 336 V C 0.731 176.867 176.094 0.070 0.000 1.046 336 V CA 0.656 62.969 62.300 0.022 0.000 0.945 336 V CB 0.297 32.119 31.823 -0.002 0.000 0.992 336 V HN 0.974 nan 8.190 nan 0.000 0.471 337 G N 4.613 113.491 108.800 0.130 0.000 2.814 337 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.677 337 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.677 337 G C -1.070 173.993 174.900 0.272 0.000 1.429 337 G CA 0.074 45.289 45.100 0.191 0.000 0.868 337 G HN 1.844 nan 8.290 nan 0.000 0.553 338 Y N -2.538 117.801 120.300 0.065 0.000 2.670 338 Y HA 0.814 5.364 4.550 -0.001 0.000 0.334 338 Y C -0.088 175.835 175.900 0.039 0.000 1.185 338 Y CA -0.760 57.378 58.100 0.063 0.000 1.053 338 Y CB 0.829 39.379 38.460 0.151 0.000 1.298 338 Y HN 0.845 nan 8.280 nan 0.000 0.459 339 S N 1.280 116.976 115.700 -0.007 0.000 2.462 339 S HA 0.859 5.328 4.470 -0.001 0.000 0.294 339 S C -0.598 173.991 174.600 -0.018 0.000 1.144 339 S CA -0.283 57.871 58.200 -0.077 0.000 1.088 339 S CB 1.026 64.240 63.200 0.023 0.000 1.009 339 S HN 0.926 nan 8.310 nan 0.000 0.484 340 A N 4.286 127.078 122.820 -0.046 0.000 2.454 340 A HA 0.863 5.183 4.320 -0.001 0.000 0.302 340 A C -2.920 174.759 177.584 0.157 0.000 1.079 340 A CA -2.132 49.952 52.037 0.078 0.000 0.731 340 A CB 0.865 19.901 19.000 0.061 0.000 1.299 340 A HN 0.535 nan 8.150 nan 0.000 0.413 341 P HA 0.221 nan 4.420 nan 0.000 0.267 341 P C -1.428 175.994 177.300 0.204 0.000 1.205 341 P CA 0.623 63.818 63.100 0.158 0.000 0.765 341 P CB -0.040 31.717 31.700 0.095 0.000 0.828 342 Y N 1.470 121.783 120.300 0.021 0.000 2.335 342 Y HA 0.520 5.070 4.550 -0.001 0.000 0.338 342 Y C -0.345 175.638 175.900 0.137 0.000 0.977 342 Y CA -1.928 56.192 58.100 0.033 0.000 1.114 342 Y CB 0.480 38.892 38.460 -0.080 0.000 1.182 342 Y HN 0.270 nan 8.280 nan 0.000 0.463 343 Y N 0.768 121.108 120.300 0.068 0.000 3.081 343 Y HA -0.140 4.410 4.550 -0.001 0.000 0.167 343 Y C 0.056 175.983 175.900 0.044 0.000 1.809 343 Y CA 0.448 58.575 58.100 0.045 0.000 1.121 343 Y CB -1.660 36.882 38.460 0.136 0.000 1.518 343 Y HN 0.871 nan 8.280 nan 0.000 0.409 344 S N 1.277 116.995 115.700 0.030 0.000 2.478 344 S HA 0.861 5.330 4.470 -0.001 0.000 0.312 344 S C -0.775 173.686 174.600 -0.230 0.000 1.094 344 S CA -0.425 57.780 58.200 0.009 0.000 1.081 344 S CB 0.659 63.863 63.200 0.007 0.000 1.007 344 S HN 0.169 nan 8.310 nan 0.000 0.475 345 F N 2.704 122.614 119.950 -0.067 0.000 2.467 345 F HA 0.510 5.036 4.527 -0.001 0.000 0.336 345 F C 0.616 176.262 175.800 -0.257 0.000 1.123 345 F CA -0.650 57.256 58.000 -0.157 0.000 0.964 345 F CB 1.868 40.798 39.000 -0.116 0.000 1.136 345 F HN 0.581 nan 8.300 nan 0.000 0.447 346 E N 1.489 121.443 120.200 -0.411 0.000 2.249 346 E HA 0.856 5.205 4.350 -0.001 0.000 0.263 346 E C -1.037 175.175 176.600 -0.646 0.000 0.950 346 E CA -1.315 54.798 56.400 -0.478 0.000 0.827 346 E CB 2.270 31.675 29.700 -0.491 0.000 1.220 346 E HN 0.605 nan 8.360 nan 0.000 0.411 347 A N 0.972 123.603 122.820 -0.315 0.000 2.435 347 A HA 0.714 5.033 4.320 -0.001 0.000 0.304 347 A C -0.738 176.840 177.584 -0.011 0.000 1.064 347 A CA -0.435 51.511 52.037 -0.152 0.000 0.727 347 A CB 2.045 21.011 19.000 -0.057 0.000 1.284 347 A HN 0.410 nan 8.150 nan 0.000 0.415 348 S N -0.633 115.119 115.700 0.086 0.000 2.880 348 S HA 0.495 4.965 4.470 -0.001 0.000 0.308 348 S C 1.225 175.834 174.600 0.015 0.000 1.195 348 S CA 0.505 58.749 58.200 0.075 0.000 0.866 348 S CB 0.528 63.815 63.200 0.144 0.000 1.254 348 S HN 0.881 nan 8.310 nan 0.000 0.571 349 T N 2.378 116.902 114.554 -0.050 0.000 2.755 349 T HA -0.194 4.156 4.350 -0.001 0.000 0.266 349 T C 1.079 175.670 174.700 -0.182 0.000 1.041 349 T CA 2.157 64.182 62.100 -0.125 0.000 1.147 349 T CB -0.429 68.332 68.868 -0.178 0.000 0.847 349 T HN 0.655 nan 8.240 nan 0.000 0.478 350 Q N 0.463 120.141 119.800 -0.204 0.000 2.157 350 Q HA 0.524 4.864 4.340 -0.001 0.000 0.229 350 Q C 0.674 176.756 176.000 0.137 0.000 0.827 350 Q CA -0.098 55.539 55.803 -0.277 0.000 1.055 350 Q CB 0.873 29.011 28.738 -1.000 0.000 1.157 350 Q HN 0.446 nan 8.270 nan 0.000 0.482 351 G N 2.348 111.240 108.800 0.153 0.000 2.423 351 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.684 351 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.684 351 G C -3.178 171.846 174.900 0.206 0.000 1.309 351 G CA -0.829 44.398 45.100 0.211 0.000 0.950 351 G HN 0.081 nan 8.290 nan 0.000 0.587 352 P HA 0.693 nan 4.420 nan 0.000 0.274 352 P C -0.809 176.643 177.300 0.253 0.000 1.237 352 P CA -0.102 63.052 63.100 0.090 0.000 0.793 352 P CB 0.728 32.469 31.700 0.068 0.000 0.977 353 F N -2.427 117.649 119.950 0.211 0.000 2.688 353 F HA 0.507 5.033 4.527 -0.001 0.000 0.308 353 F C -0.771 175.040 175.800 0.018 0.000 1.117 353 F CA -1.523 56.567 58.000 0.150 0.000 0.976 353 F CB 0.824 39.858 39.000 0.058 0.000 1.291 353 F HN 0.024 nan 8.300 nan 0.000 0.439 354 K N 1.594 122.004 120.400 0.017 0.000 2.414 354 K HA 0.232 4.552 4.320 -0.001 0.000 0.272 354 K C -0.526 176.040 176.600 -0.057 0.000 0.993 354 K CA 0.153 56.181 56.287 -0.432 0.000 0.964 354 K CB 1.078 33.322 32.500 -0.426 0.000 0.925 354 K HN 0.900 nan 8.250 nan 0.000 0.487 355 T N 6.482 120.947 114.554 -0.147 0.000 2.729 355 T HA 0.245 4.595 4.350 -0.001 0.000 0.296 355 T C -2.254 172.459 174.700 0.022 0.000 0.928 355 T CA -1.258 60.852 62.100 0.015 0.000 1.045 355 T CB 0.994 69.859 68.868 -0.005 0.000 0.902 355 T HN 0.357 nan 8.240 nan 0.000 0.500 356 P HA 0.267 nan 4.420 nan 0.000 0.269 356 P C -0.651 176.683 177.300 0.057 0.000 1.215 356 P CA -0.425 62.700 63.100 0.042 0.000 0.780 356 P CB 0.505 32.226 31.700 0.035 0.000 0.898 357 I N 0.770 121.372 120.570 0.053 0.000 2.545 357 I HA 0.489 4.658 4.170 -0.001 0.000 0.292 357 I C -0.287 175.871 176.117 0.070 0.000 1.040 357 I CA -1.078 60.255 61.300 0.056 0.000 1.068 357 I CB 1.715 39.717 38.000 0.004 0.000 1.251 357 I HN 0.305 nan 8.210 nan 0.000 0.424 358 A N 5.038 127.933 122.820 0.124 0.000 2.508 358 A HA 0.867 5.187 4.320 -0.001 0.000 0.336 358 A C -0.274 177.383 177.584 0.121 0.000 1.360 358 A CA -0.350 51.769 52.037 0.136 0.000 0.841 358 A CB 0.509 19.612 19.000 0.171 0.000 1.136 358 A HN 0.876 nan 8.150 nan 0.000 0.489 359 A N 1.268 124.122 122.820 0.057 0.000 2.572 359 A HA 0.830 5.150 4.320 -0.001 0.000 0.295 359 A C 0.622 178.239 177.584 0.056 0.000 1.072 359 A CA -0.032 52.018 52.037 0.021 0.000 0.691 359 A CB 0.795 19.741 19.000 -0.090 0.000 1.291 359 A HN 1.340 nan 8.150 nan 0.000 0.404 360 G N 0.364 109.202 108.800 0.063 0.000 2.948 360 G HA2 0.367 4.326 3.960 -0.001 0.000 0.174 360 G HA3 0.367 4.326 3.960 -0.001 0.000 0.174 360 G C 0.606 175.545 174.900 0.065 0.000 1.839 360 G CA 0.902 46.054 45.100 0.086 0.000 0.908 360 G HN 1.425 nan 8.290 nan 0.000 0.419 361 R N -1.021 119.516 120.500 0.060 0.000 2.534 361 R HA 0.328 4.667 4.340 -0.001 0.000 0.438 361 R C 0.746 177.072 176.300 0.044 0.000 0.913 361 R CA 0.365 56.490 56.100 0.041 0.000 1.130 361 R CB -0.418 29.899 30.300 0.028 0.000 1.611 361 R HN 0.564 nan 8.270 nan 0.000 0.571 362 G N 0.771 109.602 108.800 0.052 0.000 2.193 362 G HA2 0.310 4.270 3.960 -0.001 0.000 0.275 362 G HA3 0.310 4.270 3.960 -0.001 0.000 0.275 362 G C 0.355 175.289 174.900 0.056 0.000 0.882 362 G CA 0.798 45.935 45.100 0.061 0.000 1.135 362 G HN 0.844 nan 8.290 nan 0.000 0.349 363 G N 0.736 109.550 108.800 0.023 0.000 2.621 363 G HA2 0.518 4.477 3.960 -0.001 0.000 0.355 363 G HA3 0.518 4.477 3.960 -0.001 0.000 0.355 363 G C -0.075 174.788 174.900 -0.062 0.000 1.509 363 G CA -0.199 44.872 45.100 -0.049 0.000 1.000 363 G HN 1.814 nan 8.290 nan 0.000 0.646 364 A N 2.365 125.122 122.820 -0.106 0.000 2.563 364 A HA 0.410 4.729 4.320 -0.001 0.000 0.256 364 A C 0.984 178.536 177.584 -0.054 0.000 1.056 364 A CA 0.510 52.504 52.037 -0.071 0.000 0.775 364 A CB 0.377 19.323 19.000 -0.090 0.000 0.973 364 A HN 0.910 nan 8.150 nan 0.000 0.516 365 Q N 1.971 121.755 119.800 -0.026 0.000 2.283 365 Q HA 0.181 4.520 4.340 -0.001 0.000 0.269 365 Q C 0.511 176.505 176.000 -0.011 0.000 1.187 365 Q CA 1.592 57.385 55.803 -0.016 0.000 0.922 365 Q CB -0.015 28.714 28.738 -0.017 0.000 1.323 365 Q HN 0.910 nan 8.270 nan 0.000 0.432 366 T N 1.534 116.085 114.554 -0.005 0.000 3.758 366 T HA -0.010 4.340 4.350 -0.001 0.000 0.281 366 T C -0.955 173.751 174.700 0.012 0.000 0.970 366 T CA -0.007 62.096 62.100 0.004 0.000 0.875 366 T CB -0.145 68.720 68.868 -0.005 0.000 1.111 366 T HN 0.436 nan 8.240 nan 0.000 0.850 367 D N 0.833 121.230 120.400 -0.006 0.000 2.374 367 D HA 0.724 5.363 4.640 -0.001 0.000 0.239 367 D C 0.655 176.975 176.300 0.034 0.000 0.991 367 D CA -0.365 53.646 54.000 0.019 0.000 0.960 367 D CB 1.943 42.680 40.800 -0.105 0.000 1.284 367 D HN 0.425 nan 8.370 nan 0.000 0.512 368 E N -0.588 119.684 120.200 0.121 0.000 2.271 368 E HA 0.090 4.439 4.350 -0.001 0.000 0.286 368 E C -0.607 176.052 176.600 0.099 0.000 1.067 368 E CA -0.410 56.048 56.400 0.097 0.000 2.148 368 E CB -0.149 29.575 29.700 0.040 0.000 2.564 368 E HN 0.244 nan 8.360 nan 0.000 1.137 369 N N 0.977 119.694 118.700 0.028 0.000 3.001 369 N HA -0.130 4.609 4.740 -0.001 0.000 0.261 369 N C -0.255 175.194 175.510 -0.102 0.000 1.115 369 N CA 0.884 53.890 53.050 -0.073 0.000 0.667 369 N CB -0.932 37.457 38.487 -0.164 0.000 1.005 369 N HN 0.454 nan 8.380 nan 0.000 0.573 370 Q N -0.023 119.749 119.800 -0.046 0.000 2.437 370 Q HA -0.001 4.338 4.340 -0.001 0.000 0.210 370 Q C 1.952 177.935 176.000 -0.028 0.000 0.972 370 Q CA 1.506 57.300 55.803 -0.016 0.000 0.903 370 Q CB 0.158 28.916 28.738 0.032 0.000 0.967 370 Q HN 0.627 nan 8.270 nan 0.000 0.486 371 A N 1.107 123.860 122.820 -0.112 0.000 1.874 371 A HA 0.062 4.382 4.320 -0.001 0.000 0.214 371 A C 2.321 179.783 177.584 -0.203 0.000 1.189 371 A CA 1.094 53.044 52.037 -0.145 0.000 0.615 371 A CB -0.614 18.053 19.000 -0.554 0.000 0.830 371 A HN 0.355 nan 8.150 nan 0.000 0.443 372 A N 0.102 122.638 122.820 -0.474 0.000 1.940 372 A HA -0.185 4.135 4.320 -0.001 0.000 0.219 372 A C 1.578 178.982 177.584 -0.301 0.000 1.176 372 A CA 1.973 53.614 52.037 -0.659 0.000 0.631 372 A CB -0.431 18.082 19.000 -0.812 0.000 0.814 372 A HN 0.447 nan 8.150 nan 0.000 0.446 373 D N -1.543 118.748 120.400 -0.182 0.000 2.354 373 D HA 0.251 4.891 4.640 -0.001 0.000 0.209 373 D C 1.177 177.455 176.300 -0.037 0.000 1.015 373 D CA 1.013 54.952 54.000 -0.101 0.000 0.867 373 D CB -0.089 40.680 40.800 -0.053 0.000 0.933 373 D HN 0.598 nan 8.370 nan 0.000 0.520 374 G N 1.979 110.773 108.800 -0.009 0.000 2.324 374 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.292 374 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.292 374 G C -0.284 174.652 174.900 0.060 0.000 1.079 374 G CA -0.281 44.845 45.100 0.043 0.000 1.026 374 G HN 0.329 nan 8.290 nan 0.000 0.506 375 N N 1.785 120.526 118.700 0.069 0.000 2.492 375 N HA 0.405 5.144 4.740 -0.001 0.000 0.262 375 N C -1.750 173.814 175.510 0.091 0.000 1.202 375 N CA -0.854 52.257 53.050 0.103 0.000 0.926 375 N CB 1.169 39.716 38.487 0.099 0.000 1.078 375 N HN 0.299 nan 8.380 nan 0.000 0.454 376 P HA 0.217 nan 4.420 nan 0.000 0.281 376 P C -1.121 176.169 177.300 -0.017 0.000 1.249 376 P CA -0.311 62.797 63.100 0.015 0.000 0.810 376 P CB 1.377 33.116 31.700 0.066 0.000 1.008 377 R N 1.626 122.000 120.500 -0.210 0.000 2.621 377 R HA 0.490 4.829 4.340 -0.001 0.000 0.292 377 R C -1.271 174.758 176.300 -0.451 0.000 0.969 377 R CA -0.632 55.336 56.100 -0.220 0.000 0.887 377 R CB 1.137 31.363 30.300 -0.123 0.000 1.180 377 R HN 0.452 nan 8.270 nan 0.000 0.450 378 Y N 1.630 121.606 120.300 -0.540 0.000 2.350 378 Y HA 0.579 5.129 4.550 -0.001 0.000 0.338 378 Y C -0.089 175.755 175.900 -0.094 0.000 0.961 378 Y CA -0.745 57.135 58.100 -0.366 0.000 1.100 378 Y CB 2.438 40.533 38.460 -0.608 0.000 1.179 378 Y HN 0.647 nan 8.280 nan 0.000 0.454 379 A N 4.845 127.726 122.820 0.103 0.000 2.331 379 A HA 0.916 5.236 4.320 -0.001 0.000 0.320 379 A C -1.180 176.472 177.584 0.114 0.000 1.138 379 A CA -0.443 51.574 52.037 -0.034 0.000 0.790 379 A CB 0.423 19.374 19.000 -0.082 0.000 1.206 379 A HN 0.714 nan 8.150 nan 0.000 0.470 380 F N -0.260 119.725 119.950 0.059 0.000 3.052 380 F HA 0.898 5.424 4.527 -0.001 0.000 0.323 380 F C -0.010 175.831 175.800 0.068 0.000 1.178 380 F CA -0.605 57.433 58.000 0.063 0.000 0.892 380 F CB 0.790 39.847 39.000 0.095 0.000 1.416 380 F HN 1.132 nan 8.300 nan 0.000 0.488 381 G N -0.203 108.764 108.800 0.279 0.000 2.579 381 G HA2 0.511 4.471 3.960 -0.001 0.000 0.292 381 G HA3 0.511 4.471 3.960 -0.001 0.000 0.292 381 G C -0.585 174.382 174.900 0.111 0.000 1.484 381 G CA -0.208 44.975 45.100 0.138 0.000 0.813 381 G HN 0.898 nan 8.290 nan 0.000 0.515 382 R N -0.840 119.707 120.500 0.078 0.000 1.989 382 R HA -0.328 4.012 4.340 -0.001 0.000 0.092 382 R C 2.036 178.331 176.300 -0.008 0.000 0.904 382 R CA 3.252 59.371 56.100 0.033 0.000 0.643 382 R CB -1.147 29.145 30.300 -0.013 0.000 0.598 382 R HN 0.686 nan 8.270 nan 0.000 0.309 383 Q N -1.440 118.257 119.800 -0.173 0.000 2.408 383 Q HA -0.006 4.334 4.340 -0.001 0.000 0.205 383 Q C 0.119 175.579 176.000 -0.900 0.000 0.919 383 Q CA 0.786 56.316 55.803 -0.455 0.000 0.932 383 Q CB 0.452 28.821 28.738 -0.614 0.000 1.058 383 Q HN 0.601 nan 8.270 nan 0.000 0.517 384 H N -2.027 116.850 119.070 -0.322 0.000 2.549 384 H HA 0.344 4.900 4.556 -0.001 0.000 0.253 384 H C 0.455 175.616 175.328 -0.278 0.000 1.170 384 H CA 0.586 56.173 56.048 -0.768 0.000 0.943 384 H CB 1.473 30.746 29.762 -0.815 0.000 1.849 384 H HN 0.380 nan 8.280 nan 0.000 0.603 385 G N 1.050 109.914 108.800 0.107 0.000 2.905 385 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.196 385 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.196 385 G C 0.385 175.549 174.900 0.440 0.000 1.044 385 G CA -0.144 45.099 45.100 0.238 0.000 0.778 385 G HN 0.392 nan 8.290 nan 0.000 0.474 386 Q N 1.875 121.988 119.800 0.522 0.000 2.392 386 Q HA 0.409 4.748 4.340 -0.001 0.000 0.262 386 Q C 0.483 176.600 176.000 0.195 0.000 1.003 386 Q CA -0.111 55.873 55.803 0.301 0.000 0.888 386 Q CB 0.477 29.293 28.738 0.130 0.000 1.260 386 Q HN 0.337 nan 8.270 nan 0.000 0.435 387 K N 2.811 123.295 120.400 0.139 0.000 2.440 387 K HA -0.118 4.201 4.320 -0.001 0.000 0.275 387 K C 0.511 177.149 176.600 0.063 0.000 1.082 387 K CA 0.564 56.909 56.287 0.097 0.000 1.135 387 K CB 0.352 32.891 32.500 0.065 0.000 0.864 387 K HN 0.825 nan 8.250 nan 0.000 0.479 388 T N 2.033 116.616 114.554 0.049 0.000 2.778 388 T HA -0.149 4.201 4.350 -0.001 0.000 0.269 388 T C 1.299 175.993 174.700 -0.009 0.000 1.050 388 T CA 2.100 64.200 62.100 0.001 0.000 1.137 388 T CB -0.126 68.700 68.868 -0.070 0.000 0.860 388 T HN 0.846 nan 8.240 nan 0.000 0.468 389 T N -0.257 114.295 114.554 -0.002 0.000 3.235 389 T HA 0.203 4.552 4.350 -0.001 0.000 0.251 389 T C 0.685 175.382 174.700 -0.005 0.000 1.060 389 T CA -0.323 61.773 62.100 -0.008 0.000 0.949 389 T CB -0.207 68.657 68.868 -0.007 0.000 1.020 389 T HN 0.103 nan 8.240 nan 0.000 0.564 390 T N 2.106 116.660 114.554 0.001 0.000 2.828 390 T HA 0.474 4.824 4.350 -0.001 0.000 0.290 390 T C 0.034 174.728 174.700 -0.009 0.000 1.019 390 T CA -0.209 61.890 62.100 -0.001 0.000 1.031 390 T CB 1.427 70.298 68.868 0.005 0.000 1.001 390 T HN 0.243 nan 8.240 nan 0.000 0.531 391 T N -0.086 114.461 114.554 -0.012 0.000 2.906 391 T HA 0.672 5.022 4.350 -0.001 0.000 0.295 391 T C -0.238 174.452 174.700 -0.017 0.000 1.075 391 T CA 0.575 62.665 62.100 -0.016 0.000 1.005 391 T CB 1.062 69.921 68.868 -0.016 0.000 1.136 391 T HN 1.171 nan 8.240 nan 0.000 0.498 392 G N 1.977 110.765 108.800 -0.020 0.000 2.663 392 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.686 392 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.686 392 G C 0.046 174.932 174.900 -0.024 0.000 1.246 392 G CA 0.202 45.289 45.100 -0.021 0.000 0.795 392 G HN 0.890 nan 8.290 nan 0.000 0.627 393 E N -1.193 118.991 120.200 -0.025 0.000 2.489 393 E HA 0.242 4.591 4.350 -0.001 0.000 0.193 393 E C 0.934 177.514 176.600 -0.034 0.000 1.057 393 E CA 0.637 57.020 56.400 -0.028 0.000 0.866 393 E CB 0.211 29.895 29.700 -0.027 0.000 0.916 393 E HN 0.452 nan 8.360 nan 0.000 0.500 394 T N 4.690 119.222 114.554 -0.035 0.000 2.779 394 T HA 0.140 4.489 4.350 -0.001 0.000 0.296 394 T C -1.868 172.793 174.700 -0.066 0.000 0.938 394 T CA -1.212 60.861 62.100 -0.044 0.000 1.119 394 T CB 0.726 69.572 68.868 -0.036 0.000 0.891 394 T HN 0.203 nan 8.240 nan 0.000 0.526 395 P HA 0.265 nan 4.420 nan 0.000 0.275 395 P C -0.380 176.788 177.300 -0.220 0.000 1.270 395 P CA -0.416 62.592 63.100 -0.154 0.000 0.791 395 P CB 0.801 32.409 31.700 -0.154 0.000 1.089 396 E N -0.275 119.665 120.200 -0.434 0.000 2.212 396 E HA 0.503 4.853 4.350 -0.001 0.000 0.270 396 E C -0.488 175.706 176.600 -0.676 0.000 0.956 396 E CA -0.701 55.412 56.400 -0.479 0.000 0.825 396 E CB 1.109 30.504 29.700 -0.508 0.000 1.167 396 E HN 0.456 nan 8.360 nan 0.000 0.400 397 R N 1.677 122.037 120.500 -0.232 0.000 2.733 397 R HA 0.660 4.999 4.340 -0.001 0.000 0.272 397 R C -1.251 175.228 176.300 0.299 0.000 1.029 397 R CA -0.979 55.110 56.100 -0.018 0.000 0.888 397 R CB 0.817 31.069 30.300 -0.080 0.000 1.251 397 R HN 0.522 nan 8.270 nan 0.000 0.464 398 F N -2.233 117.834 119.950 0.195 0.000 2.678 398 F HA 0.572 5.098 4.527 -0.001 0.000 0.308 398 F C -1.614 174.247 175.800 0.101 0.000 1.118 398 F CA -0.886 57.194 58.000 0.133 0.000 0.959 398 F CB 2.171 41.222 39.000 0.086 0.000 1.305 398 F HN 0.379 nan 8.300 nan 0.000 0.443 399 T N 2.426 117.098 114.554 0.197 0.000 2.756 399 T HA 0.248 4.597 4.350 -0.001 0.000 0.290 399 T C -1.422 173.417 174.700 0.231 0.000 0.985 399 T CA -0.275 61.901 62.100 0.128 0.000 0.955 399 T CB 0.280 69.211 68.868 0.104 0.000 0.930 399 T HN 0.621 nan 8.240 nan 0.000 0.451 400 Y N 4.631 125.016 120.300 0.140 0.000 2.436 400 Y HA 0.429 4.979 4.550 -0.001 0.000 0.336 400 Y C -0.214 175.752 175.900 0.111 0.000 1.049 400 Y CA -0.512 57.672 58.100 0.139 0.000 1.294 400 Y CB 0.202 38.772 38.460 0.184 0.000 1.179 400 Y HN 0.543 nan 8.280 nan 0.000 0.520 401 I N 7.119 127.500 120.570 -0.315 0.000 2.354 401 I HA 0.391 4.561 4.170 -0.001 0.000 0.286 401 I C 0.213 176.111 176.117 -0.366 0.000 1.007 401 I CA -0.762 60.420 61.300 -0.196 0.000 1.167 401 I CB 0.902 38.828 38.000 -0.123 0.000 1.320 401 I HN 0.758 nan 8.210 nan 0.000 0.458 402 A N 5.440 128.207 122.820 -0.088 0.000 2.386 402 A HA 0.149 4.469 4.320 -0.001 0.000 0.246 402 A C 0.873 178.386 177.584 -0.117 0.000 1.089 402 A CA 0.198 52.236 52.037 0.003 0.000 0.790 402 A CB 0.189 19.310 19.000 0.201 0.000 1.042 402 A HN 0.774 nan 8.150 nan 0.000 0.497 403 H N -0.218 118.830 119.070 -0.038 0.000 2.451 403 H HA 0.006 4.561 4.556 -0.001 0.000 0.294 403 H C 0.903 176.137 175.328 -0.157 0.000 1.028 403 H CA 1.098 57.014 56.048 -0.221 0.000 1.349 403 H CB 0.080 29.544 29.762 -0.496 0.000 1.444 403 H HN 0.831 nan 8.280 nan 0.000 0.538 404 Q N 2.206 122.099 119.800 0.156 0.000 2.300 404 Q HA -0.004 4.335 4.340 -0.001 0.000 0.280 404 Q C -1.135 174.967 176.000 0.171 0.000 1.033 404 Q CA 0.218 56.158 55.803 0.229 0.000 0.903 404 Q CB 0.362 29.233 28.738 0.221 0.000 1.195 404 Q HN 0.061 nan 8.270 nan 0.000 0.386 405 D N 3.519 124.036 120.400 0.195 0.000 2.524 405 D HA 0.110 4.750 4.640 -0.001 0.000 0.222 405 D C -0.133 176.234 176.300 0.111 0.000 1.142 405 D CA 0.069 54.157 54.000 0.148 0.000 0.973 405 D CB 0.805 41.715 40.800 0.184 0.000 1.025 405 D HN 0.725 nan 8.370 nan 0.000 0.519 406 T N -1.916 112.693 114.554 0.093 0.000 3.170 406 T HA 0.372 4.722 4.350 -0.001 0.000 0.288 406 T C 0.946 175.673 174.700 0.045 0.000 0.992 406 T CA -0.713 61.434 62.100 0.077 0.000 0.909 406 T CB 0.517 69.442 68.868 0.095 0.000 1.133 406 T HN 0.188 nan 8.240 nan 0.000 0.530 407 G N 1.074 109.896 108.800 0.036 0.000 2.532 407 G HA2 0.706 4.666 3.960 -0.001 0.000 0.291 407 G HA3 0.706 4.666 3.960 -0.001 0.000 0.291 407 G C -0.678 174.221 174.900 -0.001 0.000 1.349 407 G CA -0.886 44.212 45.100 -0.004 0.000 1.038 407 G HN 0.243 nan 8.290 nan 0.000 0.518 408 R N -1.710 118.776 120.500 -0.024 0.000 2.795 408 R HA 0.301 4.641 4.340 -0.001 0.000 0.275 408 R C -1.969 174.361 176.300 0.050 0.000 0.981 408 R CA -0.874 55.229 56.100 0.005 0.000 0.917 408 R CB 1.792 32.061 30.300 -0.052 0.000 1.202 408 R HN 0.547 nan 8.270 nan 0.000 0.469 409 Y N 3.250 123.522 120.300 -0.046 0.000 2.805 409 Y HA 0.325 4.875 4.550 -0.001 0.000 0.339 409 Y C -1.902 173.980 175.900 -0.029 0.000 1.012 409 Y CA -2.553 55.521 58.100 -0.043 0.000 1.262 409 Y CB 1.134 39.593 38.460 -0.003 0.000 1.100 409 Y HN 0.393 nan 8.280 nan 0.000 0.559 410 P HA -0.242 nan 4.420 nan 0.000 0.217 410 P C 0.891 178.000 177.300 -0.318 0.000 1.158 410 P CA 2.022 64.958 63.100 -0.274 0.000 0.887 410 P CB 0.489 32.048 31.700 -0.236 0.000 0.792 411 E N -1.080 118.771 120.200 -0.581 0.000 2.393 411 E HA -0.094 4.255 4.350 -0.001 0.000 0.201 411 E C 2.049 178.554 176.600 -0.158 0.000 1.025 411 E CA 1.367 57.525 56.400 -0.402 0.000 0.856 411 E CB -1.225 28.166 29.700 -0.515 0.000 0.771 411 E HN 0.342 nan 8.360 nan 0.000 0.526 412 G N 0.102 108.844 108.800 -0.096 0.000 2.744 412 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.211 412 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.211 412 G C 0.251 175.330 174.900 0.298 0.000 1.146 412 G CA -0.240 45.001 45.100 0.234 0.000 0.787 412 G HN 0.109 nan 8.290 nan 0.000 0.534 413 D N -0.153 120.346 120.400 0.164 0.000 2.384 413 D HA 0.444 5.083 4.640 -0.001 0.000 0.244 413 D C -0.037 176.502 176.300 0.398 0.000 1.251 413 D CA 0.305 54.406 54.000 0.168 0.000 0.961 413 D CB 0.843 41.666 40.800 0.039 0.000 1.116 413 D HN 0.476 nan 8.370 nan 0.000 0.484 414 W N -1.294 120.104 121.300 0.163 0.000 3.370 414 W HA 0.479 5.139 4.660 -0.001 0.000 0.304 414 W C -2.570 173.972 176.519 0.039 0.000 1.161 414 W CA -0.796 56.625 57.345 0.127 0.000 1.132 414 W CB -0.020 29.483 29.460 0.071 0.000 1.377 414 W HN 0.193 nan 8.180 nan 0.000 0.568 415 I N 3.346 123.985 120.570 0.115 0.000 2.545 415 I HA 0.441 4.610 4.170 -0.001 0.000 0.292 415 I C -0.471 175.737 176.117 0.151 0.000 1.040 415 I CA -1.208 60.064 61.300 -0.045 0.000 1.068 415 I CB 2.255 40.062 38.000 -0.321 0.000 1.251 415 I HN 0.613 nan 8.210 nan 0.000 0.424 416 Q N 4.730 124.638 119.800 0.180 0.000 2.421 416 Q HA 0.414 4.754 4.340 -0.001 0.000 0.280 416 Q C -0.919 175.179 176.000 0.164 0.000 1.085 416 Q CA -0.984 54.945 55.803 0.210 0.000 0.807 416 Q CB 1.939 30.877 28.738 0.333 0.000 1.405 416 Q HN 0.521 nan 8.270 nan 0.000 0.419 417 N N 1.730 120.508 118.700 0.130 0.000 2.294 417 N HA -0.088 4.652 4.740 -0.001 0.000 0.248 417 N C 1.053 176.657 175.510 0.157 0.000 1.242 417 N CA 0.402 53.517 53.050 0.109 0.000 0.848 417 N CB 0.633 39.171 38.487 0.085 0.000 1.084 417 N HN 0.871 nan 8.380 nan 0.000 0.457 418 I N 0.647 121.281 120.570 0.107 0.000 2.567 418 I HA -0.184 3.986 4.170 -0.001 0.000 0.257 418 I C 1.156 177.356 176.117 0.138 0.000 1.184 418 I CA 0.957 62.316 61.300 0.098 0.000 1.451 418 I CB -0.270 37.756 38.000 0.043 0.000 1.089 418 I HN 0.336 nan 8.210 nan 0.000 0.441 419 N N 1.159 119.945 118.700 0.144 0.000 2.519 419 N HA -0.114 4.625 4.740 -0.001 0.000 0.186 419 N C 0.937 176.611 175.510 0.274 0.000 1.062 419 N CA 1.089 54.231 53.050 0.154 0.000 0.910 419 N CB -0.354 38.198 38.487 0.108 0.000 0.958 419 N HN 0.574 nan 8.380 nan 0.000 0.445 420 F N 0.346 120.337 119.950 0.069 0.000 2.426 420 F HA -0.494 4.033 4.527 -0.001 0.000 0.283 420 F C -0.108 175.740 175.800 0.080 0.000 1.467 420 F CA 1.475 59.530 58.000 0.091 0.000 1.793 420 F CB -0.667 38.404 39.000 0.119 0.000 1.994 420 F HN 0.159 nan 8.300 nan 0.000 0.187 421 N N 0.936 119.694 118.700 0.096 0.000 2.483 421 N HA -0.135 4.605 4.740 -0.001 0.000 0.280 421 N C -1.443 173.994 175.510 -0.121 0.000 1.315 421 N CA 1.002 54.058 53.050 0.011 0.000 0.637 421 N CB -1.357 37.153 38.487 0.038 0.000 0.893 421 N HN 0.479 nan 8.380 nan 0.000 0.535 422 L N 1.621 122.743 121.223 -0.169 0.000 2.360 422 L HA 0.647 4.987 4.340 -0.001 0.000 0.271 422 L C -1.226 175.575 176.870 -0.115 0.000 1.057 422 L CA -1.754 52.953 54.840 -0.221 0.000 0.803 422 L CB 0.248 42.105 42.059 -0.337 0.000 1.207 422 L HN 0.141 nan 8.230 nan 0.000 0.445 423 P HA 0.125 nan 4.420 nan 0.000 0.271 423 P C -0.489 176.726 177.300 -0.142 0.000 1.216 423 P CA -0.363 62.647 63.100 -0.151 0.000 0.771 423 P CB 1.014 32.643 31.700 -0.117 0.000 0.864 424 V N 3.518 123.325 119.914 -0.178 0.000 2.694 424 V HA -0.001 4.119 4.120 -0.001 0.000 0.306 424 V C 0.318 176.357 176.094 -0.092 0.000 1.054 424 V CA 0.660 62.880 62.300 -0.132 0.000 1.161 424 V CB 0.465 32.205 31.823 -0.138 0.000 0.916 424 V HN 0.652 nan 8.190 nan 0.000 0.490 425 T N 5.956 120.476 114.554 -0.057 0.000 2.889 425 T HA 0.118 4.467 4.350 -0.001 0.000 0.291 425 T C 1.219 175.899 174.700 -0.033 0.000 0.995 425 T CA 0.434 62.510 62.100 -0.040 0.000 1.092 425 T CB 0.913 69.767 68.868 -0.023 0.000 0.954 425 T HN 0.940 nan 8.240 nan 0.000 0.506 426 N N 2.442 121.122 118.700 -0.032 0.000 2.184 426 N HA -0.164 4.576 4.740 -0.001 0.000 0.190 426 N C 1.241 176.743 175.510 -0.014 0.000 1.011 426 N CA 1.669 54.704 53.050 -0.025 0.000 0.867 426 N CB 0.006 38.480 38.487 -0.022 0.000 0.993 426 N HN 0.560 nan 8.380 nan 0.000 0.433 427 D N -1.192 119.203 120.400 -0.010 0.000 2.363 427 D HA -0.000 4.640 4.640 -0.001 0.000 0.226 427 D C -0.024 176.278 176.300 0.003 0.000 1.020 427 D CA 0.570 54.568 54.000 -0.003 0.000 0.892 427 D CB -0.173 40.626 40.800 -0.001 0.000 0.900 427 D HN 0.515 nan 8.370 nan 0.000 0.531 428 N N -0.342 118.361 118.700 0.005 0.000 2.282 428 N HA 0.081 4.820 4.740 -0.001 0.000 0.240 428 N C -0.947 174.584 175.510 0.034 0.000 1.182 428 N CA -0.076 52.987 53.050 0.022 0.000 0.874 428 N CB 1.512 40.017 38.487 0.031 0.000 1.126 428 N HN -0.140 nan 8.380 nan 0.000 0.516 429 V N -0.157 119.768 119.914 0.020 0.000 2.888 429 V HA 0.500 4.619 4.120 -0.001 0.000 0.309 429 V C -1.119 174.985 176.094 0.016 0.000 1.114 429 V CA -1.040 61.284 62.300 0.041 0.000 0.940 429 V CB 2.389 34.222 31.823 0.016 0.000 1.021 429 V HN -0.114 nan 8.190 nan 0.000 0.426 430 L N 4.459 125.684 121.223 0.004 0.000 2.319 430 L HA 0.757 5.096 4.340 -0.001 0.000 0.281 430 L C -0.969 175.938 176.870 0.062 0.000 1.005 430 L CA -0.150 54.660 54.840 -0.049 0.000 0.828 430 L CB 1.159 43.069 42.059 -0.249 0.000 1.227 430 L HN 0.586 nan 8.230 nan 0.000 0.415 431 L N 7.218 128.514 121.223 0.121 0.000 2.352 431 L HA 0.648 4.987 4.340 -0.001 0.000 0.269 431 L C -1.651 175.356 176.870 0.228 0.000 1.034 431 L CA -1.937 53.017 54.840 0.191 0.000 0.806 431 L CB 1.075 43.190 42.059 0.092 0.000 1.244 431 L HN 0.444 nan 8.230 nan 0.000 0.447 432 P HA 0.037 nan 4.420 nan 0.000 0.263 432 P C 0.455 177.766 177.300 0.018 0.000 1.386 432 P CA 0.534 63.651 63.100 0.029 0.000 0.797 432 P CB 0.389 32.050 31.700 -0.065 0.000 1.381 433 T N -1.694 112.889 114.554 0.049 0.000 2.958 433 T HA 0.084 4.434 4.350 -0.001 0.000 0.256 433 T C 0.322 175.039 174.700 0.027 0.000 0.983 433 T CA -0.013 62.101 62.100 0.024 0.000 0.924 433 T CB 0.217 69.096 68.868 0.018 0.000 1.136 433 T HN 0.058 nan 8.240 nan 0.000 0.506 434 D N 3.837 124.266 120.400 0.048 0.000 2.304 434 D HA 0.264 4.903 4.640 -0.001 0.000 0.250 434 D C -2.221 174.101 176.300 0.036 0.000 1.107 434 D CA -1.415 52.607 54.000 0.036 0.000 0.885 434 D CB 1.293 42.117 40.800 0.039 0.000 1.192 434 D HN 0.241 nan 8.370 nan 0.000 0.436 435 P HA 0.260 nan 4.420 nan 0.000 0.274 435 P C -0.498 176.814 177.300 0.019 0.000 1.231 435 P CA -0.459 62.648 63.100 0.013 0.000 0.790 435 P CB 1.403 33.104 31.700 0.002 0.000 0.951 436 I N 0.414 120.994 120.570 0.017 0.000 2.569 436 I HA 0.284 4.453 4.170 -0.001 0.000 0.296 436 I C 1.431 177.555 176.117 0.012 0.000 1.028 436 I CA -0.147 61.167 61.300 0.022 0.000 1.082 436 I CB 0.764 38.786 38.000 0.037 0.000 1.264 436 I HN 0.783 nan 8.210 nan 0.000 0.429 437 G N 4.273 113.081 108.800 0.014 0.000 2.187 437 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.261 437 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.261 437 G C 1.072 175.973 174.900 0.002 0.000 1.000 437 G CA 0.877 45.983 45.100 0.010 0.000 0.718 437 G HN 1.697 nan 8.290 nan 0.000 0.519 438 G N -1.438 107.362 108.800 -0.000 0.000 2.253 438 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.251 438 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.251 438 G C 0.544 175.435 174.900 -0.016 0.000 0.998 438 G CA 0.972 46.069 45.100 -0.006 0.000 0.621 438 G HN 1.067 nan 8.290 nan 0.000 0.524 439 K N 1.193 121.582 120.400 -0.018 0.000 2.368 439 K HA 0.435 4.754 4.320 -0.001 0.000 0.282 439 K C 1.258 177.844 176.600 -0.024 0.000 1.035 439 K CA 0.306 56.575 56.287 -0.030 0.000 0.973 439 K CB 0.878 33.359 32.500 -0.032 0.000 0.957 439 K HN 0.139 nan 8.250 nan 0.000 0.474 440 T N 1.101 115.638 114.554 -0.028 0.000 3.055 440 T HA -0.023 4.326 4.350 -0.001 0.000 0.265 440 T C 1.327 176.015 174.700 -0.021 0.000 1.111 440 T CA 1.341 63.428 62.100 -0.021 0.000 1.118 440 T CB 0.175 69.031 68.868 -0.021 0.000 0.909 440 T HN 0.758 nan 8.240 nan 0.000 0.501 441 G N 0.338 109.122 108.800 -0.027 0.000 3.393 441 G HA2 0.324 4.283 3.960 -0.001 0.000 0.255 441 G HA3 0.324 4.283 3.960 -0.001 0.000 0.255 441 G C 0.082 174.958 174.900 -0.040 0.000 1.097 441 G CA -0.216 44.868 45.100 -0.027 0.000 0.780 441 G HN 0.302 nan 8.290 nan 0.000 0.540 442 I N 1.214 121.760 120.570 -0.040 0.000 2.406 442 I HA 0.407 4.577 4.170 -0.001 0.000 0.290 442 I C -0.680 175.409 176.117 -0.047 0.000 0.999 442 I CA -1.243 60.023 61.300 -0.057 0.000 1.124 442 I CB 1.353 39.328 38.000 -0.040 0.000 1.289 442 I HN -0.143 nan 8.210 nan 0.000 0.441 443 N N 3.602 122.250 118.700 -0.087 0.000 2.514 443 N HA 0.289 5.028 4.740 -0.001 0.000 0.299 443 N C 0.659 176.160 175.510 -0.014 0.000 1.292 443 N CA -0.243 52.767 53.050 -0.067 0.000 0.963 443 N CB 0.522 38.904 38.487 -0.175 0.000 1.124 443 N HN 0.594 nan 8.380 nan 0.000 0.580 444 Y N -2.384 117.875 120.300 -0.069 0.000 2.522 444 Y HA 0.217 4.766 4.550 -0.001 0.000 0.277 444 Y C 1.951 177.826 175.900 -0.043 0.000 1.104 444 Y CA 0.806 58.865 58.100 -0.067 0.000 1.260 444 Y CB -1.142 37.243 38.460 -0.126 0.000 1.151 444 Y HN 0.453 nan 8.280 nan 0.000 0.539 445 T N -1.459 112.575 114.554 -0.867 0.000 2.849 445 T HA -0.206 4.144 4.350 -0.001 0.000 0.270 445 T C 1.351 176.002 174.700 -0.082 0.000 1.066 445 T CA 1.830 63.611 62.100 -0.532 0.000 1.130 445 T CB -0.981 67.650 68.868 -0.396 0.000 0.864 445 T HN 0.531 nan 8.240 nan 0.000 0.481 446 N N 1.124 119.664 118.700 -0.267 0.000 2.443 446 N HA 0.074 4.814 4.740 -0.001 0.000 0.184 446 N C 1.518 176.932 175.510 -0.159 0.000 1.037 446 N CA 1.283 54.061 53.050 -0.453 0.000 0.896 446 N CB -0.215 38.031 38.487 -0.401 0.000 0.959 446 N HN 0.777 nan 8.380 nan 0.000 0.442 447 I N -4.450 116.137 120.570 0.028 0.000 4.160 447 I HA 0.302 4.472 4.170 -0.001 0.000 0.325 447 I C -0.490 175.770 176.117 0.239 0.000 1.455 447 I CA -0.535 60.830 61.300 0.108 0.000 1.142 447 I CB -0.057 38.001 38.000 0.096 0.000 1.262 447 I HN -0.220 nan 8.210 nan 0.000 0.483 448 F N 3.645 123.645 119.950 0.083 0.000 2.459 448 F HA 0.495 5.021 4.527 -0.001 0.000 0.346 448 F C 0.116 175.996 175.800 0.134 0.000 1.128 448 F CA -0.338 57.745 58.000 0.138 0.000 1.268 448 F CB 0.695 39.775 39.000 0.133 0.000 1.161 448 F HN 0.174 nan 8.300 nan 0.000 0.583 449 N N 1.767 120.255 118.700 -0.353 0.000 2.519 449 N HA 0.172 4.911 4.740 -0.001 0.000 0.291 449 N C -0.801 174.475 175.510 -0.389 0.000 1.107 449 N CA -0.232 52.688 53.050 -0.217 0.000 0.904 449 N CB 1.324 39.803 38.487 -0.013 0.000 1.500 449 N HN 0.597 nan 8.380 nan 0.000 0.510 450 T N -0.022 114.390 114.554 -0.236 0.000 3.293 450 T HA 0.195 4.545 4.350 -0.001 0.000 0.276 450 T C 0.165 174.900 174.700 0.057 0.000 1.003 450 T CA -0.349 61.649 62.100 -0.169 0.000 0.916 450 T CB -0.811 67.941 68.868 -0.194 0.000 1.134 450 T HN 0.424 nan 8.240 nan 0.000 0.530 451 Y N 1.405 121.692 120.300 -0.021 0.000 2.319 451 Y HA 0.571 5.121 4.550 -0.001 0.000 0.328 451 Y C 0.643 176.484 175.900 -0.098 0.000 1.133 451 Y CA 0.495 58.533 58.100 -0.102 0.000 1.265 451 Y CB 0.518 38.827 38.460 -0.253 0.000 1.218 451 Y HN 0.488 nan 8.280 nan 0.000 0.508 452 G N 4.469 112.871 108.800 -0.664 0.000 2.561 452 G HA2 0.182 4.142 3.960 -0.001 0.000 0.310 452 G HA3 0.182 4.142 3.960 -0.001 0.000 0.310 452 G C -2.545 172.055 174.900 -0.500 0.000 1.292 452 G CA -0.808 44.017 45.100 -0.458 0.000 0.811 452 G HN 0.350 nan 8.290 nan 0.000 0.482 453 P HA 0.051 nan 4.420 nan 0.000 0.234 453 P C 1.041 178.230 177.300 -0.184 0.000 1.167 453 P CA 0.693 63.663 63.100 -0.218 0.000 0.763 453 P CB 0.256 31.875 31.700 -0.134 0.000 0.835 454 L N -1.161 119.952 121.223 -0.184 0.000 2.640 454 L HA 0.176 4.515 4.340 -0.001 0.000 0.230 454 L C 0.633 177.426 176.870 -0.128 0.000 1.123 454 L CA -0.009 54.753 54.840 -0.131 0.000 0.900 454 L CB -0.352 41.646 42.059 -0.101 0.000 1.146 454 L HN -0.216 nan 8.230 nan 0.000 0.484 455 T N 1.729 116.168 114.554 -0.192 0.000 2.834 455 T HA 0.466 4.816 4.350 -0.001 0.000 0.298 455 T C 0.219 174.892 174.700 -0.046 0.000 0.966 455 T CA -0.110 61.915 62.100 -0.125 0.000 1.141 455 T CB 1.135 69.853 68.868 -0.249 0.000 0.905 455 T HN 0.267 nan 8.240 nan 0.000 0.535 456 A N 4.304 127.134 122.820 0.016 0.000 2.343 456 A HA 0.857 5.177 4.320 -0.001 0.000 0.316 456 A C -0.518 177.117 177.584 0.085 0.000 1.104 456 A CA -0.880 51.176 52.037 0.033 0.000 0.768 456 A CB 0.709 19.711 19.000 0.004 0.000 1.213 456 A HN 0.908 nan 8.150 nan 0.000 0.456 457 L N -0.305 120.975 121.223 0.096 0.000 2.502 457 L HA 0.774 5.113 4.340 -0.001 0.000 0.253 457 L C -1.122 175.805 176.870 0.095 0.000 1.070 457 L CA -1.245 53.669 54.840 0.124 0.000 0.871 457 L CB 1.782 43.956 42.059 0.190 0.000 1.487 457 L HN 0.466 nan 8.230 nan 0.000 0.408 458 N N 0.586 119.346 118.700 0.100 0.000 2.402 458 N HA 0.374 5.113 4.740 -0.001 0.000 0.294 458 N C -1.253 174.309 175.510 0.086 0.000 1.203 458 N CA -0.640 52.461 53.050 0.085 0.000 0.838 458 N CB 1.716 40.257 38.487 0.089 0.000 1.306 458 N HN 0.830 nan 8.380 nan 0.000 0.510 459 N N -0.668 118.072 118.700 0.067 0.000 2.294 459 N HA 0.131 4.870 4.740 -0.001 0.000 0.248 459 N C -0.468 175.083 175.510 0.068 0.000 1.300 459 N CA -0.450 52.633 53.050 0.055 0.000 0.925 459 N CB 0.706 39.206 38.487 0.022 0.000 1.188 459 N HN 0.060 nan 8.380 nan 0.000 0.512 460 V N 1.955 121.905 119.914 0.060 0.000 2.775 460 V HA 0.256 4.375 4.120 -0.001 0.000 0.299 460 V C -1.786 174.346 176.094 0.063 0.000 1.062 460 V CA -0.867 61.478 62.300 0.074 0.000 1.063 460 V CB 1.059 32.927 31.823 0.074 0.000 0.994 460 V HN 0.709 nan 8.190 nan 0.000 0.483 461 P HA 0.439 nan 4.420 nan 0.000 0.287 461 P C -2.893 174.432 177.300 0.042 0.000 1.270 461 P CA -2.341 60.812 63.100 0.088 0.000 0.844 461 P CB 1.077 32.879 31.700 0.171 0.000 1.068 462 P HA 0.077 nan 4.420 nan 0.000 0.269 462 P C -0.642 176.572 177.300 -0.144 0.000 1.217 462 P CA 0.269 63.404 63.100 0.058 0.000 0.783 462 P CB 0.317 31.994 31.700 -0.038 0.000 0.898 463 V N 3.024 122.802 119.914 -0.226 0.000 2.385 463 V HA 0.182 4.301 4.120 -0.001 0.000 0.277 463 V C -0.837 175.043 176.094 -0.356 0.000 1.012 463 V CA -0.586 61.477 62.300 -0.395 0.000 0.832 463 V CB 0.342 31.845 31.823 -0.534 0.000 1.028 463 V HN 0.423 nan 8.190 nan 0.000 0.436 464 Y N 8.604 128.523 120.300 -0.635 0.000 2.304 464 Y HA 0.502 5.052 4.550 -0.001 0.000 0.328 464 Y C -1.584 174.066 175.900 -0.416 0.000 1.123 464 Y CA -1.558 56.058 58.100 -0.807 0.000 1.218 464 Y CB 2.222 39.642 38.460 -1.734 0.000 1.207 464 Y HN 0.409 nan 8.280 nan 0.000 0.495 465 P HA 0.070 nan 4.420 nan 0.000 0.272 465 P C -0.288 176.719 177.300 -0.490 0.000 1.276 465 P CA 0.480 62.832 63.100 -1.247 0.000 0.871 465 P CB 0.667 31.381 31.700 -1.644 0.000 1.313 466 N N 0.579 119.102 118.700 -0.295 0.000 2.515 466 N HA 0.001 4.740 4.740 -0.001 0.000 0.185 466 N C 1.275 176.750 175.510 -0.059 0.000 1.109 466 N CA 0.376 53.354 53.050 -0.120 0.000 0.903 466 N CB 0.081 38.442 38.487 -0.210 0.000 0.969 466 N HN 0.171 nan 8.380 nan 0.000 0.450 467 G N 0.706 109.485 108.800 -0.036 0.000 2.527 467 G HA2 0.080 4.040 3.960 -0.001 0.000 0.248 467 G HA3 0.080 4.040 3.960 -0.001 0.000 0.248 467 G C -0.140 174.816 174.900 0.093 0.000 1.231 467 G CA -0.306 44.872 45.100 0.130 0.000 0.838 467 G HN 0.162 nan 8.290 nan 0.000 0.570 468 Q N 0.385 120.214 119.800 0.049 0.000 2.299 468 Q HA 0.330 4.670 4.340 -0.001 0.000 0.246 468 Q C 0.557 176.434 176.000 -0.205 0.000 0.935 468 Q CA -0.567 55.160 55.803 -0.127 0.000 0.887 468 Q CB 0.954 29.653 28.738 -0.065 0.000 1.223 468 Q HN 0.515 nan 8.270 nan 0.000 0.439 469 I N 1.588 121.884 120.570 -0.457 0.000 2.522 469 I HA 0.079 4.249 4.170 -0.001 0.000 0.240 469 I C 0.380 176.523 176.117 0.044 0.000 1.078 469 I CA 0.233 61.294 61.300 -0.399 0.000 1.422 469 I CB -0.039 37.593 38.000 -0.613 0.000 1.188 469 I HN 0.672 nan 8.210 nan 0.000 0.442 470 W N 0.176 121.436 121.300 -0.066 0.000 2.762 470 W HA 0.739 5.399 4.660 -0.001 0.000 0.355 470 W C -1.301 175.279 176.519 0.102 0.000 1.124 470 W CA -0.819 56.531 57.345 0.008 0.000 1.141 470 W CB 0.478 29.838 29.460 -0.167 0.000 1.432 470 W HN -0.246 nan 8.180 nan 0.000 0.586 471 D N 0.557 121.164 120.400 0.346 0.000 2.736 471 D HA 0.209 4.849 4.640 -0.001 0.000 0.223 471 D C -1.383 174.981 176.300 0.105 0.000 1.231 471 D CA -0.849 53.308 54.000 0.263 0.000 0.818 471 D CB 2.243 43.184 40.800 0.234 0.000 1.587 471 D HN 0.507 nan 8.370 nan 0.000 0.463 472 K N 1.501 121.811 120.400 -0.150 0.000 2.202 472 K HA 0.296 4.615 4.320 -0.001 0.000 0.264 472 K C -0.276 176.343 176.600 0.032 0.000 1.010 472 K CA -0.353 55.773 56.287 -0.267 0.000 0.940 472 K CB 0.919 32.935 32.500 -0.807 0.000 0.983 472 K HN 0.355 nan 8.250 nan 0.000 0.475 473 E N 2.662 122.895 120.200 0.055 0.000 2.277 473 E HA 0.165 4.515 4.350 -0.001 0.000 0.274 473 E C -1.069 175.729 176.600 0.330 0.000 1.022 473 E CA -0.415 56.078 56.400 0.155 0.000 0.853 473 E CB 0.521 30.257 29.700 0.061 0.000 1.086 473 E HN 0.437 nan 8.360 nan 0.000 0.397 474 F N 1.915 121.961 119.950 0.160 0.000 2.563 474 F HA -0.002 4.525 4.527 -0.001 0.000 0.363 474 F C 1.009 176.845 175.800 0.059 0.000 1.123 474 F CA -0.182 57.869 58.000 0.085 0.000 1.307 474 F CB 0.640 39.671 39.000 0.053 0.000 1.115 474 F HN 0.529 nan 8.300 nan 0.000 0.592 475 D N 2.524 123.046 120.400 0.203 0.000 3.134 475 D HA 0.063 4.702 4.640 -0.001 0.000 0.248 475 D C 0.065 176.417 176.300 0.087 0.000 1.273 475 D CA -0.166 53.905 54.000 0.118 0.000 0.904 475 D CB -0.151 40.694 40.800 0.076 0.000 1.089 475 D HN 0.475 nan 8.370 nan 0.000 0.478 476 T N -3.246 111.380 114.554 0.120 0.000 2.936 476 T HA 0.272 4.621 4.350 -0.001 0.000 0.282 476 T C 1.040 175.785 174.700 0.075 0.000 1.003 476 T CA -0.795 61.355 62.100 0.084 0.000 1.005 476 T CB 1.554 70.487 68.868 0.108 0.000 1.097 476 T HN -0.216 nan 8.240 nan 0.000 0.532 477 D N 0.181 120.612 120.400 0.053 0.000 2.144 477 D HA 0.053 4.693 4.640 -0.001 0.000 0.200 477 D C 0.500 176.829 176.300 0.048 0.000 0.978 477 D CA 1.120 55.147 54.000 0.044 0.000 0.833 477 D CB -0.044 40.775 40.800 0.031 0.000 0.961 477 D HN 0.450 nan 8.370 nan 0.000 0.470 478 L N 1.519 122.776 121.223 0.055 0.000 2.325 478 L HA 0.311 4.650 4.340 -0.001 0.000 0.281 478 L C 0.235 177.148 176.870 0.072 0.000 1.004 478 L CA -0.902 53.970 54.840 0.054 0.000 0.823 478 L CB 1.833 43.919 42.059 0.044 0.000 1.236 478 L HN -0.298 nan 8.230 nan 0.000 0.415 479 K N 2.324 122.763 120.400 0.066 0.000 2.090 479 K HA 0.611 4.930 4.320 -0.001 0.000 0.249 479 K C -2.323 174.300 176.600 0.038 0.000 0.995 479 K CA -1.748 54.581 56.287 0.070 0.000 0.914 479 K CB 0.572 33.110 32.500 0.063 0.000 1.057 479 K HN 0.244 nan 8.250 nan 0.000 0.462 480 P HA 0.319 nan 4.420 nan 0.000 0.276 480 P C 0.145 177.449 177.300 0.007 0.000 1.252 480 P CA -0.527 62.557 63.100 -0.027 0.000 0.802 480 P CB 0.621 32.241 31.700 -0.132 0.000 1.035 481 R N 0.319 120.820 120.500 0.003 0.000 2.275 481 R HA 0.229 4.568 4.340 -0.001 0.000 0.199 481 R C 0.632 176.950 176.300 0.030 0.000 0.989 481 R CA 0.444 56.556 56.100 0.020 0.000 1.016 481 R CB -0.570 29.745 30.300 0.024 0.000 0.918 481 R HN 0.470 nan 8.270 nan 0.000 0.473 482 L N -4.891 116.362 121.223 0.050 0.000 3.079 482 L HA 0.459 4.798 4.340 -0.001 0.000 0.278 482 L C -1.455 175.529 176.870 0.190 0.000 1.026 482 L CA -1.202 53.689 54.840 0.085 0.000 0.963 482 L CB 1.791 43.884 42.059 0.057 0.000 1.526 482 L HN -0.146 nan 8.230 nan 0.000 0.397 483 H N -0.370 118.659 119.070 -0.067 0.000 2.622 483 H HA 0.510 5.065 4.556 -0.001 0.000 0.363 483 H C 0.218 175.537 175.328 -0.015 0.000 1.151 483 H CA -0.468 55.535 56.048 -0.076 0.000 1.184 483 H CB 2.813 32.530 29.762 -0.073 0.000 1.643 483 H HN 0.648 nan 8.280 nan 0.000 0.531 484 V N -0.190 119.776 119.914 0.087 0.000 3.647 484 V HA -0.024 4.095 4.120 -0.001 0.000 0.279 484 V C 0.906 177.055 176.094 0.092 0.000 1.314 484 V CA 1.272 63.619 62.300 0.077 0.000 1.125 484 V CB -0.716 31.134 31.823 0.046 0.000 0.907 484 V HN 0.752 nan 8.190 nan 0.000 0.434 485 N N 0.992 119.762 118.700 0.117 0.000 2.368 485 N HA 0.509 5.249 4.740 -0.001 0.000 0.178 485 N C 0.452 176.046 175.510 0.140 0.000 1.076 485 N CA 0.544 53.667 53.050 0.122 0.000 0.889 485 N CB 0.451 39.007 38.487 0.115 0.000 1.040 485 N HN 0.598 nan 8.380 nan 0.000 0.463 486 A N 0.229 123.135 122.820 0.144 0.000 2.549 486 A HA 0.515 4.835 4.320 -0.001 0.000 0.297 486 A C -2.354 175.280 177.584 0.083 0.000 1.061 486 A CA -1.287 50.827 52.037 0.130 0.000 0.690 486 A CB 1.410 20.483 19.000 0.121 0.000 1.287 486 A HN -0.072 nan 8.150 nan 0.000 0.402 487 P HA 0.097 nan 4.420 nan 0.000 0.222 487 P C -0.256 176.846 177.300 -0.330 0.000 1.153 487 P CA 0.983 63.967 63.100 -0.194 0.000 0.798 487 P CB 0.039 31.539 31.700 -0.333 0.000 0.796 488 F N -0.513 119.506 119.950 0.114 0.000 2.402 488 F HA 0.310 4.837 4.527 -0.001 0.000 0.355 488 F C 0.067 175.882 175.800 0.026 0.000 1.123 488 F CA -1.140 56.898 58.000 0.063 0.000 1.021 488 F CB 1.162 40.190 39.000 0.047 0.000 1.160 488 F HN -0.429 nan 8.300 nan 0.000 0.451 489 V N 2.942 122.928 119.914 0.121 0.000 2.384 489 V HA 0.209 4.329 4.120 -0.001 0.000 0.287 489 V C -0.261 175.867 176.094 0.057 0.000 1.020 489 V CA -1.058 61.225 62.300 -0.028 0.000 0.850 489 V CB 1.248 32.890 31.823 -0.302 0.000 0.987 489 V HN 0.850 nan 8.190 nan 0.000 0.436 490 c N 5.260 123.923 118.600 0.105 0.000 2.648 490 c HA 0.070 4.640 4.570 -0.001 0.000 0.406 490 c C 1.945 176.078 174.090 0.073 0.000 1.406 490 c CA -0.266 56.146 56.329 0.139 0.000 1.610 490 c CB -0.792 41.823 42.510 0.175 0.000 2.451 490 c HN 0.953 nan 8.230 nan 0.000 0.608 491 Q N 2.542 122.385 119.800 0.072 0.000 2.083 491 Q HA -0.107 4.233 4.340 -0.001 0.000 0.198 491 Q C 1.266 177.292 176.000 0.043 0.000 0.969 491 Q CA 1.228 57.058 55.803 0.045 0.000 0.838 491 Q CB 0.139 28.900 28.738 0.039 0.000 0.900 491 Q HN 0.802 nan 8.270 nan 0.000 0.436 492 N N 0.750 119.480 118.700 0.049 0.000 1.926 492 N HA -0.026 4.713 4.740 -0.001 0.000 0.224 492 N C 0.223 175.767 175.510 0.058 0.000 1.082 492 N CA -0.127 52.944 53.050 0.035 0.000 1.048 492 N CB 0.053 38.543 38.487 0.005 0.000 1.362 492 N HN -0.042 nan 8.380 nan 0.000 0.515 493 N N -0.244 118.509 118.700 0.087 0.000 2.370 493 N HA 0.328 5.068 4.740 -0.001 0.000 0.303 493 N C -1.404 174.245 175.510 0.231 0.000 1.103 493 N CA -0.529 52.594 53.050 0.122 0.000 0.848 493 N CB 1.229 39.791 38.487 0.125 0.000 1.235 493 N HN 0.324 nan 8.380 nan 0.000 0.496 494 c N 1.770 120.428 118.600 0.097 0.000 2.345 494 c HA 0.604 5.173 4.570 -0.001 0.000 0.369 494 c C -2.093 171.808 174.090 -0.314 0.000 1.273 494 c CA -1.138 55.182 56.329 -0.015 0.000 2.310 494 c CB 0.923 43.406 42.510 -0.044 0.000 2.219 494 c HN 0.648 nan 8.230 nan 0.000 0.587 495 P HA 0.210 nan 4.420 nan 0.000 0.276 495 P C -0.166 177.028 177.300 -0.177 0.000 1.243 495 P CA 0.551 63.062 63.100 -0.982 0.000 0.768 495 P CB 0.237 31.349 31.700 -0.979 0.000 0.856 496 G N 3.325 112.074 108.800 -0.085 0.000 2.554 496 G HA2 0.062 4.022 3.960 -0.001 0.000 0.238 496 G HA3 0.062 4.022 3.960 -0.001 0.000 0.238 496 G C -0.327 174.582 174.900 0.014 0.000 1.259 496 G CA -0.493 44.627 45.100 0.034 0.000 0.843 496 G HN 0.461 nan 8.290 nan 0.000 0.582 497 Q N -0.805 118.962 119.800 -0.055 0.000 2.354 497 Q HA 0.325 4.665 4.340 -0.001 0.000 0.244 497 Q C -0.674 174.955 176.000 -0.619 0.000 0.969 497 Q CA -0.515 55.070 55.803 -0.363 0.000 0.885 497 Q CB 1.748 30.136 28.738 -0.583 0.000 1.241 497 Q HN 0.340 nan 8.270 nan 0.000 0.461 498 L N 2.477 123.310 121.223 -0.651 0.000 2.298 498 L HA 0.451 4.790 4.340 -0.001 0.000 0.284 498 L C -1.705 174.767 176.870 -0.663 0.000 1.013 498 L CA -0.119 54.434 54.840 -0.479 0.000 0.824 498 L CB 0.428 42.406 42.059 -0.135 0.000 1.221 498 L HN 0.405 nan 8.230 nan 0.000 0.418 499 F N 4.537 124.403 119.950 -0.141 0.000 2.450 499 F HA 0.717 5.244 4.527 -0.001 0.000 0.332 499 F C 0.098 176.006 175.800 0.180 0.000 1.093 499 F CA -0.772 57.208 58.000 -0.034 0.000 1.003 499 F CB 1.888 40.755 39.000 -0.220 0.000 1.151 499 F HN 0.246 nan 8.300 nan 0.000 0.474 500 V N 3.153 123.331 119.914 0.440 0.000 2.962 500 V HA 0.745 4.864 4.120 -0.001 0.000 0.313 500 V C -1.186 175.011 176.094 0.172 0.000 1.099 500 V CA -0.638 61.824 62.300 0.270 0.000 0.971 500 V CB 2.220 34.091 31.823 0.081 0.000 1.028 500 V HN 0.858 nan 8.190 nan 0.000 0.430 501 K N 3.423 123.768 120.400 -0.092 0.000 2.578 501 K HA 0.551 4.870 4.320 -0.001 0.000 0.269 501 K C -2.179 174.260 176.600 -0.269 0.000 0.941 501 K CA -0.638 55.442 56.287 -0.344 0.000 0.847 501 K CB 2.268 34.148 32.500 -1.033 0.000 1.397 501 K HN 0.439 nan 8.250 nan 0.000 0.422 502 V N 2.971 122.758 119.914 -0.210 0.000 2.408 502 V HA 0.345 4.464 4.120 -0.001 0.000 0.267 502 V C 0.520 176.513 176.094 -0.169 0.000 1.047 502 V CA -0.285 61.931 62.300 -0.140 0.000 0.937 502 V CB 0.603 32.376 31.823 -0.084 0.000 0.999 502 V HN 0.850 nan 8.190 nan 0.000 0.472 503 A N 9.021 131.761 122.820 -0.133 0.000 2.483 503 A HA 0.444 4.763 4.320 -0.001 0.000 0.238 503 A C -1.750 175.775 177.584 -0.099 0.000 1.070 503 A CA -0.932 51.034 52.037 -0.118 0.000 0.770 503 A CB -0.273 18.683 19.000 -0.073 0.000 1.008 503 A HN 0.719 nan 8.150 nan 0.000 0.497 504 P HA 0.013 nan 4.420 nan 0.000 0.264 504 P C -0.865 176.385 177.300 -0.082 0.000 1.193 504 P CA -0.053 62.992 63.100 -0.091 0.000 0.763 504 P CB 0.408 32.045 31.700 -0.105 0.000 0.810 505 N N 3.851 122.512 118.700 -0.065 0.000 2.816 505 N HA 0.231 4.970 4.740 -0.001 0.000 0.236 505 N C -0.250 175.231 175.510 -0.048 0.000 1.076 505 N CA -0.405 52.614 53.050 -0.051 0.000 0.902 505 N CB -0.245 38.222 38.487 -0.033 0.000 1.149 505 N HN 0.319 nan 8.380 nan 0.000 0.506 506 L N 0.878 122.057 121.223 -0.074 0.000 2.452 506 L HA 0.308 4.648 4.340 -0.001 0.000 0.267 506 L C 1.544 178.403 176.870 -0.019 0.000 1.188 506 L CA -0.373 54.427 54.840 -0.066 0.000 0.821 506 L CB 0.474 42.441 42.059 -0.154 0.000 1.102 506 L HN 0.412 nan 8.230 nan 0.000 0.470 507 T N -2.561 112.003 114.554 0.017 0.000 2.880 507 T HA 0.117 4.467 4.350 -0.001 0.000 0.279 507 T C 1.155 175.880 174.700 0.041 0.000 0.990 507 T CA -0.438 61.678 62.100 0.027 0.000 0.938 507 T CB 0.667 69.556 68.868 0.035 0.000 1.206 507 T HN 0.715 nan 8.240 nan 0.000 0.573 508 N N 0.581 119.303 118.700 0.036 0.000 2.289 508 N HA -0.161 4.578 4.740 -0.001 0.000 0.184 508 N C 0.435 175.982 175.510 0.061 0.000 1.016 508 N CA 0.747 53.821 53.050 0.040 0.000 0.872 508 N CB -0.367 38.137 38.487 0.028 0.000 0.973 508 N HN 0.877 nan 8.380 nan 0.000 0.433 509 Q N -0.513 119.328 119.800 0.069 0.000 2.394 509 Q HA 0.257 4.596 4.340 -0.001 0.000 0.259 509 Q C -1.728 174.352 176.000 0.133 0.000 1.021 509 Q CA -0.864 54.986 55.803 0.078 0.000 0.805 509 Q CB 1.001 29.763 28.738 0.041 0.000 1.226 509 Q HN 0.327 nan 8.270 nan 0.000 0.476 510 Y N 1.662 121.964 120.300 0.003 0.000 2.421 510 Y HA 0.452 5.002 4.550 -0.001 0.000 0.339 510 Y C -1.940 173.963 175.900 0.005 0.000 0.996 510 Y CA -1.048 57.054 58.100 0.004 0.000 1.046 510 Y CB 2.309 40.772 38.460 0.005 0.000 1.226 510 Y HN 0.710 nan 8.280 nan 0.000 0.445 511 D N 7.613 127.590 120.400 -0.704 0.000 2.473 511 D HA 0.431 5.071 4.640 -0.001 0.000 0.253 511 D C -2.232 173.664 176.300 -0.673 0.000 1.233 511 D CA -2.342 51.346 54.000 -0.519 0.000 0.908 511 D CB 2.244 42.899 40.800 -0.242 0.000 1.170 511 D HN 0.314 nan 8.370 nan 0.000 0.558 512 P HA -0.096 nan 4.420 nan 0.000 0.217 512 P C -0.385 176.819 177.300 -0.159 0.000 1.151 512 P CA 0.994 63.923 63.100 -0.285 0.000 0.849 512 P CB 0.214 31.884 31.700 -0.049 0.000 0.787 513 D N -0.484 119.834 120.400 -0.137 0.000 2.713 513 D HA 0.399 5.039 4.640 -0.001 0.000 0.229 513 D C -0.374 175.871 176.300 -0.092 0.000 1.136 513 D CA 0.116 54.066 54.000 -0.083 0.000 1.010 513 D CB -0.560 40.205 40.800 -0.057 0.000 1.084 513 D HN 0.029 nan 8.370 nan 0.000 0.495 514 A N 0.870 123.631 122.820 -0.098 0.000 2.569 514 A HA 0.383 4.703 4.320 -0.001 0.000 0.282 514 A C 1.343 178.897 177.584 -0.050 0.000 1.165 514 A CA -0.669 51.319 52.037 -0.082 0.000 0.747 514 A CB 0.733 19.663 19.000 -0.118 0.000 1.215 514 A HN 0.267 nan 8.150 nan 0.000 0.431 515 S N 2.241 117.921 115.700 -0.034 0.000 2.369 515 S HA -0.075 4.395 4.470 -0.001 0.000 0.225 515 S C 1.317 175.906 174.600 -0.018 0.000 1.043 515 S CA 1.254 59.441 58.200 -0.021 0.000 1.074 515 S CB -0.722 62.466 63.200 -0.020 0.000 0.962 515 S HN 2.127 nan 8.310 nan 0.000 0.433 516 A N 3.175 125.982 122.820 -0.022 0.000 2.522 516 A HA 0.246 4.566 4.320 -0.001 0.000 0.256 516 A C 0.362 177.939 177.584 -0.012 0.000 1.086 516 A CA -0.466 51.561 52.037 -0.017 0.000 0.763 516 A CB -0.439 18.550 19.000 -0.019 0.000 1.024 516 A HN 0.498 nan 8.150 nan 0.000 0.502 517 N N 2.164 120.863 118.700 -0.001 0.000 2.292 517 N HA 0.058 4.798 4.740 -0.001 0.000 0.258 517 N C 0.735 176.259 175.510 0.024 0.000 1.261 517 N CA 0.524 53.583 53.050 0.015 0.000 0.845 517 N CB 0.175 38.670 38.487 0.014 0.000 1.064 517 N HN 0.741 nan 8.380 nan 0.000 0.471 518 M N 0.890 120.523 119.600 0.055 0.000 1.717 518 M HA 0.087 4.567 4.480 -0.001 0.000 0.141 518 M C 0.585 176.936 176.300 0.084 0.000 1.205 518 M CA -0.108 55.245 55.300 0.088 0.000 0.644 518 M CB -0.499 32.243 32.600 0.236 0.000 0.981 518 M HN 0.409 nan 8.290 nan 0.000 0.292 519 S N -1.431 114.336 115.700 0.111 0.000 2.500 519 S HA 0.866 5.335 4.470 -0.001 0.000 0.301 519 S C -0.701 173.941 174.600 0.070 0.000 1.092 519 S CA -1.148 57.096 58.200 0.073 0.000 1.030 519 S CB 1.593 64.827 63.200 0.057 0.000 1.031 519 S HN 0.715 nan 8.310 nan 0.000 0.483 520 R N 1.199 121.721 120.500 0.036 0.000 2.837 520 R HA 0.571 4.911 4.340 -0.001 0.000 0.271 520 R C -0.891 175.417 176.300 0.014 0.000 0.993 520 R CA -0.890 55.219 56.100 0.015 0.000 0.931 520 R CB 1.526 31.826 30.300 -0.000 0.000 1.206 520 R HN 0.617 nan 8.270 nan 0.000 0.474 521 I N 1.741 122.316 120.570 0.008 0.000 2.441 521 I HA 0.064 4.233 4.170 -0.001 0.000 0.287 521 I C 0.234 176.366 176.117 0.024 0.000 1.049 521 I CA -0.586 60.722 61.300 0.014 0.000 1.381 521 I CB 1.356 39.361 38.000 0.008 0.000 1.409 521 I HN 0.237 nan 8.210 nan 0.000 0.523 522 V N 6.544 126.482 119.914 0.039 0.000 2.458 522 V HA -0.003 4.117 4.120 -0.001 0.000 0.287 522 V C 0.428 176.582 176.094 0.100 0.000 1.009 522 V CA 0.744 63.084 62.300 0.068 0.000 1.091 522 V CB -0.143 31.729 31.823 0.081 0.000 0.960 522 V HN 0.774 nan 8.190 nan 0.000 0.476 523 T N 5.758 120.369 114.554 0.094 0.000 2.900 523 T HA 0.734 5.083 4.350 -0.001 0.000 0.295 523 T C -0.891 173.898 174.700 0.147 0.000 1.044 523 T CA -0.406 61.742 62.100 0.081 0.000 0.995 523 T CB 1.664 70.535 68.868 0.004 0.000 1.072 523 T HN 0.653 nan 8.240 nan 0.000 0.473 524 Y N -0.793 119.501 120.300 -0.010 0.000 2.615 524 Y HA 0.852 5.401 4.550 -0.001 0.000 0.341 524 Y C -0.607 175.256 175.900 -0.062 0.000 1.089 524 Y CA -1.151 56.909 58.100 -0.067 0.000 1.049 524 Y CB 1.443 39.852 38.460 -0.085 0.000 1.296 524 Y HN 0.588 nan 8.280 nan 0.000 0.470 525 S N 0.916 116.627 115.700 0.018 0.000 2.568 525 S HA 0.656 5.126 4.470 -0.001 0.000 0.293 525 S C -2.034 172.582 174.600 0.026 0.000 1.089 525 S CA -0.552 57.648 58.200 0.001 0.000 0.945 525 S CB 1.435 64.692 63.200 0.094 0.000 1.077 525 S HN 0.719 nan 8.310 nan 0.000 0.485 526 D N 2.332 122.764 120.400 0.053 0.000 2.863 526 D HA 0.614 5.253 4.640 -0.001 0.000 0.245 526 D C -1.119 175.194 176.300 0.022 0.000 1.211 526 D CA -0.032 53.939 54.000 -0.047 0.000 0.888 526 D CB 1.426 42.230 40.800 0.007 0.000 1.483 526 D HN 0.459 nan 8.370 nan 0.000 0.533 527 F N -1.047 118.818 119.950 -0.141 0.000 2.645 527 F HA 0.743 5.270 4.527 -0.001 0.000 0.310 527 F C -1.523 174.118 175.800 -0.267 0.000 1.102 527 F CA -1.429 56.501 58.000 -0.116 0.000 0.952 527 F CB 0.851 39.838 39.000 -0.021 0.000 1.326 527 F HN 0.081 nan 8.300 nan 0.000 0.456 528 W N 1.760 123.017 121.300 -0.072 0.000 2.417 528 W HA 0.497 5.157 4.660 -0.001 0.000 0.317 528 W C -1.109 175.348 176.519 -0.103 0.000 1.121 528 W CA -0.282 56.889 57.345 -0.290 0.000 1.208 528 W CB 1.338 30.288 29.460 -0.851 0.000 1.253 528 W HN 0.735 nan 8.180 nan 0.000 0.533 529 W N 5.004 126.371 121.300 0.112 0.000 2.627 529 W HA 0.607 5.267 4.660 -0.001 0.000 0.339 529 W C -1.124 175.537 176.519 0.237 0.000 1.058 529 W CA -1.485 55.988 57.345 0.213 0.000 1.223 529 W CB 1.189 30.754 29.460 0.174 0.000 1.389 529 W HN 0.220 nan 8.180 nan 0.000 0.541 530 K N 3.951 123.856 120.400 -0.825 0.000 2.525 530 K HA 0.675 4.994 4.320 -0.001 0.000 0.254 530 K C -0.876 175.016 176.600 -1.179 0.000 0.934 530 K CA -0.715 55.105 56.287 -0.778 0.000 0.802 530 K CB 1.573 34.028 32.500 -0.076 0.000 1.295 530 K HN 0.758 nan 8.250 nan 0.000 0.433 531 G N 2.221 110.448 108.800 -0.955 0.000 2.672 531 G HA2 0.494 4.453 3.960 -0.001 0.000 0.292 531 G HA3 0.494 4.453 3.960 -0.001 0.000 0.292 531 G C -1.852 173.170 174.900 0.204 0.000 1.375 531 G CA -0.591 44.343 45.100 -0.277 0.000 0.890 531 G HN 0.438 nan 8.290 nan 0.000 0.476 532 K N 0.297 120.836 120.400 0.231 0.000 2.541 532 K HA 0.585 4.904 4.320 -0.001 0.000 0.250 532 K C -2.037 174.556 176.600 -0.011 0.000 0.950 532 K CA -0.757 55.603 56.287 0.121 0.000 0.805 532 K CB 2.138 34.613 32.500 -0.041 0.000 1.166 532 K HN 0.332 nan 8.250 nan 0.000 0.430 533 L N 4.982 126.048 121.223 -0.262 0.000 2.349 533 L HA 0.460 4.800 4.340 -0.001 0.000 0.278 533 L C -1.534 175.130 176.870 -0.345 0.000 0.996 533 L CA -0.615 53.919 54.840 -0.511 0.000 0.825 533 L CB 1.912 43.221 42.059 -1.249 0.000 1.243 533 L HN 0.409 nan 8.230 nan 0.000 0.412 534 V N 5.785 125.469 119.914 -0.384 0.000 2.417 534 V HA 0.523 4.642 4.120 -0.001 0.000 0.291 534 V C -0.380 175.501 176.094 -0.354 0.000 1.024 534 V CA -0.336 61.787 62.300 -0.296 0.000 0.861 534 V CB 1.225 32.862 31.823 -0.309 0.000 0.985 534 V HN 0.521 nan 8.190 nan 0.000 0.436 535 F N 2.887 122.783 119.950 -0.089 0.000 2.613 535 F HA 0.733 5.259 4.527 -0.001 0.000 0.342 535 F C 0.140 175.991 175.800 0.086 0.000 1.066 535 F CA -1.130 56.888 58.000 0.029 0.000 1.002 535 F CB 1.710 40.786 39.000 0.126 0.000 1.319 535 F HN 0.262 nan 8.300 nan 0.000 0.495 536 K N 0.741 121.373 120.400 0.387 0.000 2.541 536 K HA 0.810 5.130 4.320 -0.001 0.000 0.250 536 K C -1.609 175.165 176.600 0.291 0.000 0.950 536 K CA -0.368 56.120 56.287 0.335 0.000 0.805 536 K CB 1.607 34.268 32.500 0.268 0.000 1.166 536 K HN 0.788 nan 8.250 nan 0.000 0.430 537 A N 3.033 126.011 122.820 0.263 0.000 2.387 537 A HA 0.772 5.091 4.320 -0.001 0.000 0.298 537 A C -1.502 176.058 177.584 -0.040 0.000 1.165 537 A CA -0.721 51.397 52.037 0.135 0.000 0.814 537 A CB 1.486 20.537 19.000 0.084 0.000 1.357 537 A HN 0.574 nan 8.150 nan 0.000 0.443 538 K N 0.559 120.789 120.400 -0.282 0.000 2.426 538 K HA 0.619 4.939 4.320 -0.001 0.000 0.254 538 K C -1.430 174.978 176.600 -0.321 0.000 0.936 538 K CA -0.272 55.634 56.287 -0.635 0.000 0.801 538 K CB 0.863 32.749 32.500 -1.023 0.000 1.139 538 K HN 0.593 nan 8.250 nan 0.000 0.424 539 L N 4.927 126.001 121.223 -0.248 0.000 2.456 539 L HA 0.311 4.650 4.340 -0.001 0.000 0.272 539 L C 0.927 177.721 176.870 -0.127 0.000 1.189 539 L CA -0.173 54.594 54.840 -0.122 0.000 0.846 539 L CB 0.464 42.493 42.059 -0.050 0.000 1.111 539 L HN 0.694 nan 8.230 nan 0.000 0.475 540 R N 2.972 123.421 120.500 -0.085 0.000 2.549 540 R HA 0.846 5.186 4.340 -0.001 0.000 0.267 540 R C -0.834 175.447 176.300 -0.032 0.000 1.045 540 R CA -0.652 55.421 56.100 -0.046 0.000 1.115 540 R CB 1.228 31.506 30.300 -0.038 0.000 1.121 540 R HN 0.595 nan 8.270 nan 0.000 0.543 541 A N 0.894 123.732 122.820 0.031 0.000 2.469 541 A HA 0.438 4.758 4.320 -0.001 0.000 0.299 541 A C -0.807 176.670 177.584 -0.178 0.000 1.098 541 A CA -0.804 51.183 52.037 -0.084 0.000 0.737 541 A CB 1.888 20.819 19.000 -0.116 0.000 1.312 541 A HN 0.755 nan 8.150 nan 0.000 0.414 542 S N -1.050 114.467 115.700 -0.305 0.000 2.565 542 S HA 0.437 4.906 4.470 -0.001 0.000 0.276 542 S C 0.233 174.495 174.600 -0.562 0.000 1.326 542 S CA 0.146 58.185 58.200 -0.268 0.000 1.045 542 S CB 0.049 63.128 63.200 -0.201 0.000 0.918 542 S HN 0.739 nan 8.310 nan 0.000 0.505 543 H N 0.541 119.598 119.070 -0.021 0.000 3.771 543 H HA 0.225 4.781 4.556 -0.001 0.000 0.260 543 H C 0.234 175.580 175.328 0.030 0.000 1.158 543 H CA 0.366 56.415 56.048 0.002 0.000 1.170 543 H CB 0.661 30.425 29.762 0.003 0.000 1.539 543 H HN 0.658 nan 8.280 nan 0.000 0.634 544 T N -2.837 111.789 114.554 0.120 0.000 2.918 544 T HA 0.002 4.352 4.350 -0.001 0.000 0.286 544 T C 0.711 175.489 174.700 0.131 0.000 1.026 544 T CA -0.962 61.218 62.100 0.134 0.000 1.031 544 T CB 1.715 70.655 68.868 0.120 0.000 1.046 544 T HN 0.338 nan 8.240 nan 0.000 0.479 545 W N 3.148 124.447 121.300 -0.001 0.000 2.374 545 W HA -0.080 4.579 4.660 -0.001 0.000 0.288 545 W C 0.256 176.763 176.519 -0.020 0.000 1.218 545 W CA 1.143 58.480 57.345 -0.014 0.000 1.245 545 W CB -0.479 28.975 29.460 -0.011 0.000 1.126 545 W HN 0.919 nan 8.180 nan 0.000 0.545 546 N N 0.844 119.689 118.700 0.242 0.000 2.493 546 N HA 0.337 5.076 4.740 -0.001 0.000 0.275 546 N C -2.707 172.811 175.510 0.013 0.000 1.186 546 N CA -1.198 51.934 53.050 0.137 0.000 0.978 546 N CB 0.088 38.664 38.487 0.148 0.000 1.184 546 N HN -0.245 nan 8.380 nan 0.000 0.487 547 P HA 0.227 nan 4.420 nan 0.000 0.273 547 P C -0.771 176.516 177.300 -0.022 0.000 1.250 547 P CA -0.317 62.759 63.100 -0.040 0.000 0.793 547 P CB 0.496 32.169 31.700 -0.044 0.000 1.011 548 I N -0.536 120.015 120.570 -0.032 0.000 3.133 548 I HA 0.298 4.468 4.170 -0.001 0.000 0.311 548 I C 0.078 176.176 176.117 -0.032 0.000 1.072 548 I CA -1.182 60.102 61.300 -0.026 0.000 1.015 548 I CB 1.573 39.558 38.000 -0.026 0.000 1.233 548 I HN 0.303 nan 8.210 nan 0.000 0.473 549 Q N 2.817 122.598 119.800 -0.031 0.000 2.327 549 Q HA 0.344 4.683 4.340 -0.001 0.000 0.254 549 Q C -1.502 174.470 176.000 -0.046 0.000 0.952 549 Q CA -0.148 55.632 55.803 -0.038 0.000 0.884 549 Q CB 0.717 29.424 28.738 -0.052 0.000 1.224 549 Q HN 0.398 nan 8.270 nan 0.000 0.422 550 Q N 3.050 122.824 119.800 -0.042 0.000 2.340 550 Q HA 0.242 4.581 4.340 -0.001 0.000 0.276 550 Q C -1.187 174.786 176.000 -0.045 0.000 1.048 550 Q CA -0.625 55.146 55.803 -0.054 0.000 0.832 550 Q CB 2.017 30.716 28.738 -0.065 0.000 1.373 550 Q HN 0.853 nan 8.270 nan 0.000 0.409 551 M N 1.663 121.231 119.600 -0.053 0.000 2.228 551 M HA 0.314 4.793 4.480 -0.001 0.000 0.351 551 M C -0.618 175.639 176.300 -0.072 0.000 1.233 551 M CA 0.504 55.776 55.300 -0.045 0.000 1.129 551 M CB 0.607 33.180 32.600 -0.045 0.000 1.604 551 M HN 0.598 nan 8.290 nan 0.000 0.457 552 S N 4.964 120.624 115.700 -0.066 0.000 2.537 552 S HA 0.507 4.977 4.470 -0.001 0.000 0.270 552 S C -0.987 173.558 174.600 -0.091 0.000 1.142 552 S CA -0.974 57.175 58.200 -0.087 0.000 0.870 552 S CB 1.365 64.527 63.200 -0.065 0.000 1.112 552 S HN 0.839 nan 8.310 nan 0.000 0.466 553 I N 3.533 124.025 120.570 -0.131 0.000 2.823 553 I HA 0.442 4.612 4.170 -0.001 0.000 0.290 553 I C -0.468 175.618 176.117 -0.052 0.000 1.091 553 I CA 0.082 61.312 61.300 -0.116 0.000 1.365 553 I CB 0.566 38.465 38.000 -0.170 0.000 1.427 553 I HN 0.951 nan 8.210 nan 0.000 0.583 554 N N 3.100 121.791 118.700 -0.015 0.000 3.046 554 N HA 0.127 4.866 4.740 -0.001 0.000 0.243 554 N C -0.066 175.434 175.510 -0.018 0.000 1.452 554 N CA -0.854 52.186 53.050 -0.017 0.000 0.882 554 N CB 1.138 39.623 38.487 -0.004 0.000 1.425 554 N HN 0.181 nan 8.380 nan 0.000 0.517 555 V N 0.115 120.018 119.914 -0.019 0.000 2.363 555 V HA -0.302 3.817 4.120 -0.001 0.000 0.254 555 V C 1.022 177.124 176.094 0.013 0.000 1.074 555 V CA 2.495 64.787 62.300 -0.014 0.000 1.069 555 V CB -0.673 31.154 31.823 0.007 0.000 0.659 555 V HN 0.701 nan 8.190 nan 0.000 0.455 556 D N -0.409 120.009 120.400 0.030 0.000 2.120 556 D HA -0.081 4.558 4.640 -0.001 0.000 0.202 556 D C 1.962 178.304 176.300 0.069 0.000 0.972 556 D CA 1.634 55.666 54.000 0.054 0.000 0.837 556 D CB -0.437 40.390 40.800 0.045 0.000 0.989 556 D HN 0.774 nan 8.370 nan 0.000 0.469 557 N N 0.508 119.255 118.700 0.077 0.000 2.392 557 N HA -0.106 4.633 4.740 -0.001 0.000 0.177 557 N C 1.741 177.341 175.510 0.150 0.000 1.066 557 N CA 0.021 53.141 53.050 0.117 0.000 0.895 557 N CB -0.023 38.587 38.487 0.205 0.000 0.988 557 N HN 0.077 nan 8.380 nan 0.000 0.457 558 Q N 1.101 120.947 119.800 0.076 0.000 2.146 558 Q HA -0.233 4.106 4.340 -0.001 0.000 0.217 558 Q C 0.559 176.504 176.000 -0.091 0.000 1.023 558 Q CA 2.137 57.905 55.803 -0.058 0.000 0.903 558 Q CB -0.409 28.116 28.738 -0.355 0.000 0.990 558 Q HN 0.553 nan 8.270 nan 0.000 0.413 559 F N -0.103 119.905 119.950 0.097 0.000 2.725 559 F HA 0.119 4.646 4.527 -0.001 0.000 0.303 559 F C 0.966 176.752 175.800 -0.024 0.000 1.167 559 F CA 0.121 58.153 58.000 0.053 0.000 1.403 559 F CB 0.108 39.130 39.000 0.037 0.000 1.077 559 F HN 0.208 nan 8.300 nan 0.000 0.537 560 N N -1.483 117.178 118.700 -0.064 0.000 2.236 560 N HA 0.045 4.784 4.740 -0.001 0.000 0.196 560 N C -0.125 175.075 175.510 -0.517 0.000 1.114 560 N CA 0.107 52.959 53.050 -0.332 0.000 0.859 560 N CB 0.245 38.374 38.487 -0.597 0.000 0.982 560 N HN 0.300 nan 8.380 nan 0.000 0.493 561 Y N -0.223 120.163 120.300 0.145 0.000 2.719 561 Y HA 0.425 4.974 4.550 -0.001 0.000 0.251 561 Y C -0.255 175.745 175.900 0.166 0.000 1.159 561 Y CA -0.451 57.740 58.100 0.151 0.000 1.166 561 Y CB 0.772 39.292 38.460 0.100 0.000 1.219 561 Y HN -0.209 nan 8.280 nan 0.000 0.551 562 V N 0.517 120.592 119.914 0.269 0.000 3.147 562 V HA 0.463 4.583 4.120 -0.001 0.000 0.306 562 V C -2.381 173.839 176.094 0.210 0.000 1.209 562 V CA -2.183 60.263 62.300 0.244 0.000 1.023 562 V CB 2.869 34.844 31.823 0.254 0.000 1.059 562 V HN -0.075 nan 8.190 nan 0.000 0.435 563 P HA 0.385 nan 4.420 nan 0.000 0.274 563 P C -0.696 176.657 177.300 0.088 0.000 1.246 563 P CA -0.245 62.923 63.100 0.114 0.000 0.795 563 P CB 0.539 32.279 31.700 0.067 0.000 1.006 564 S N 0.291 116.020 115.700 0.047 0.000 2.707 564 S HA 0.164 4.634 4.470 -0.001 0.000 0.276 564 S C 1.180 175.779 174.600 -0.002 0.000 1.179 564 S CA -0.554 57.650 58.200 0.008 0.000 0.992 564 S CB 0.280 63.475 63.200 -0.009 0.000 1.030 564 S HN 0.552 nan 8.310 nan 0.000 0.554 565 N N 0.469 119.156 118.700 -0.022 0.000 2.519 565 N HA -0.091 4.648 4.740 -0.001 0.000 0.186 565 N C 1.053 176.553 175.510 -0.015 0.000 1.062 565 N CA 1.029 54.068 53.050 -0.018 0.000 0.910 565 N CB -0.551 37.919 38.487 -0.028 0.000 0.958 565 N HN 0.719 nan 8.380 nan 0.000 0.445 566 I N -1.022 119.539 120.570 -0.014 0.000 3.968 566 I HA 0.166 4.336 4.170 -0.001 0.000 0.328 566 I C 0.931 177.044 176.117 -0.008 0.000 1.290 566 I CA 0.393 61.686 61.300 -0.013 0.000 1.163 566 I CB 0.101 38.092 38.000 -0.014 0.000 1.024 566 I HN 0.301 nan 8.210 nan 0.000 0.413 567 G N 1.452 110.251 108.800 -0.002 0.000 2.130 567 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.216 567 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.216 567 G C 0.436 175.344 174.900 0.013 0.000 0.999 567 G CA -0.188 44.915 45.100 0.005 0.000 0.686 567 G HN 0.517 nan 8.290 nan 0.000 0.515 568 G N -0.294 108.513 108.800 0.011 0.000 2.353 568 G HA2 0.631 4.591 3.960 -0.001 0.000 0.284 568 G HA3 0.631 4.591 3.960 -0.001 0.000 0.284 568 G C 0.159 175.077 174.900 0.030 0.000 1.172 568 G CA -0.300 44.804 45.100 0.007 0.000 0.854 568 G HN 0.220 nan 8.290 nan 0.000 0.485 569 M N 0.824 120.424 119.600 0.000 0.000 2.777 569 M HA 0.624 5.104 4.480 -0.001 0.000 0.307 569 M C -0.135 176.236 176.300 0.118 0.000 1.228 569 M CA -0.749 54.582 55.300 0.053 0.000 0.871 569 M CB 2.393 34.946 32.600 -0.078 0.000 1.721 569 M HN 0.777 nan 8.290 nan 0.000 0.487 570 K N 0.071 120.610 120.400 0.232 0.000 2.587 570 K HA 0.670 4.990 4.320 -0.001 0.000 0.276 570 K C -2.046 174.712 176.600 0.263 0.000 0.956 570 K CA -0.691 55.750 56.287 0.257 0.000 0.857 570 K CB 1.514 34.109 32.500 0.160 0.000 1.431 570 K HN 0.637 nan 8.250 nan 0.000 0.420 571 I N 2.939 123.647 120.570 0.229 0.000 2.466 571 I HA 0.213 4.382 4.170 -0.001 0.000 0.279 571 I C -0.546 175.612 176.117 0.069 0.000 1.033 571 I CA -1.279 60.108 61.300 0.145 0.000 1.123 571 I CB 1.872 39.925 38.000 0.089 0.000 1.237 571 I HN 0.379 nan 8.210 nan 0.000 0.460 572 V N 6.117 126.045 119.914 0.024 0.000 2.715 572 V HA 0.005 4.124 4.120 -0.001 0.000 0.299 572 V C -0.104 175.953 176.094 -0.061 0.000 1.054 572 V CA -0.269 62.014 62.300 -0.027 0.000 1.077 572 V CB 0.566 32.313 31.823 -0.126 0.000 0.972 572 V HN 0.569 nan 8.190 nan 0.000 0.484 573 Y N 3.514 123.655 120.300 -0.265 0.000 2.379 573 Y HA 0.605 5.155 4.550 -0.001 0.000 0.337 573 Y C 0.071 175.896 175.900 -0.126 0.000 1.238 573 Y CA -0.540 57.342 58.100 -0.362 0.000 1.405 573 Y CB 0.499 38.376 38.460 -0.972 0.000 1.310 573 Y HN 0.629 nan 8.280 nan 0.000 0.569 574 E N 2.240 122.463 120.200 0.040 0.000 2.393 574 E HA 0.437 4.786 4.350 -0.001 0.000 0.265 574 E C -1.359 175.445 176.600 0.341 0.000 0.941 574 E CA -1.294 55.141 56.400 0.059 0.000 0.801 574 E CB 2.144 31.959 29.700 0.192 0.000 1.313 574 E HN 0.662 nan 8.360 nan 0.000 0.435 575 K N 0.263 120.858 120.400 0.324 0.000 2.156 575 K HA 0.318 4.637 4.320 -0.001 0.000 0.254 575 K C 0.776 177.651 176.600 0.458 0.000 0.950 575 K CA -0.248 56.307 56.287 0.447 0.000 0.849 575 K CB 1.469 34.111 32.500 0.237 0.000 1.100 575 K HN 0.523 nan 8.250 nan 0.000 0.434 576 S N 1.035 117.012 115.700 0.462 0.000 2.483 576 S HA -0.041 4.429 4.470 -0.001 0.000 0.221 576 S C 0.625 175.321 174.600 0.159 0.000 1.030 576 S CA -0.086 58.293 58.200 0.298 0.000 0.925 576 S CB 0.123 63.507 63.200 0.307 0.000 0.795 576 S HN 0.593 nan 8.310 nan 0.000 0.511 577 Q N 2.269 122.222 119.800 0.256 0.000 2.640 577 Q HA 0.429 4.768 4.340 -0.001 0.000 0.389 577 Q C -0.969 175.160 176.000 0.215 0.000 1.012 577 Q CA -0.303 55.628 55.803 0.214 0.000 1.060 577 Q CB 0.227 29.118 28.738 0.254 0.000 1.332 577 Q HN 0.587 nan 8.270 nan 0.000 0.418 578 L N -0.272 121.001 121.223 0.084 0.000 2.331 578 L HA 0.772 5.111 4.340 -0.001 0.000 0.278 578 L C 0.115 177.001 176.870 0.027 0.000 1.106 578 L CA -0.713 54.076 54.840 -0.086 0.000 0.824 578 L CB 0.505 42.516 42.059 -0.081 0.000 1.142 578 L HN 0.254 nan 8.230 nan 0.000 0.443 579 A N 3.298 126.162 122.820 0.073 0.000 2.300 579 A HA 0.134 4.454 4.320 -0.001 0.000 0.649 579 A C -2.799 174.663 177.584 -0.204 0.000 0.140 579 A CA -1.031 50.990 52.037 -0.027 0.000 0.128 579 A CB -1.206 17.775 19.000 -0.032 0.000 3.750 579 A HN 0.569 nan 8.150 nan 0.000 0.528 580 P HA 0.662 nan 4.420 nan 0.000 0.274 580 P C -0.273 176.933 177.300 -0.157 0.000 1.256 580 P CA -0.076 62.772 63.100 -0.419 0.000 0.795 580 P CB 0.904 32.554 31.700 -0.082 0.000 1.038 581 R N -1.155 119.284 120.500 -0.102 0.000 2.663 581 R HA 0.455 4.795 4.340 -0.001 0.000 0.267 581 R C -0.912 175.345 176.300 -0.071 0.000 1.038 581 R CA -1.085 54.977 56.100 -0.062 0.000 0.886 581 R CB 1.215 31.469 30.300 -0.076 0.000 1.249 581 R HN 0.192 nan 8.270 nan 0.000 0.463 582 K N 1.689 122.052 120.400 -0.061 0.000 2.319 582 K HA 0.081 4.400 4.320 -0.001 0.000 0.265 582 K C 0.122 176.646 176.600 -0.126 0.000 1.000 582 K CA -0.680 55.542 56.287 -0.107 0.000 0.943 582 K CB 0.700 33.165 32.500 -0.059 0.000 0.950 582 K HN 0.404 nan 8.250 nan 0.000 0.485 583 L N 1.574 122.700 121.223 -0.161 0.000 2.349 583 L HA 0.206 4.545 4.340 -0.001 0.000 0.200 583 L C 0.135 177.026 176.870 0.036 0.000 1.064 583 L CA 1.414 56.200 54.840 -0.089 0.000 0.821 583 L CB -0.289 41.677 42.059 -0.155 0.000 1.027 583 L HN 0.753 nan 8.230 nan 0.000 0.476 584 Y N 0.000 120.219 120.300 -0.136 0.000 2.660 584 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 584 Y CA 0.000 58.049 58.100 -0.085 0.000 1.940 584 Y CB 0.000 38.412 38.460 -0.079 0.000 1.050 584 Y HN 0.000 nan 8.280 nan 0.000 0.758