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 1p5y_1_A DATA FIRST_RESID 37 DATA SEQUENCE GVGISTGTFN NQTEFKFLEN GWVEITANSS RLVHLNMPES ENYRRVVVNN DATA SEQUENCE MDKTAVDGNM ALDDIHAEIV TPWSLVDANA WGVWFNPGDW QLIVNTMSEL DATA SEQUENCE HLVSFEQEIF NVVLKTVSEX XXQPPTKVYN NDLTASLMVA LDSNNTMPFT DATA SEQUENCE PAAMRSETLG FYPWKPTIPT PWRYYFQWDR TLIPSHTGTS GTPTNIYHGT DATA SEQUENCE DPDDVQFYTI ENSVPVHLLR TGDEFATGTF FFDCKPCRLT HTWQTNRALG DATA SEQUENCE LPPFLNSLPQ SEGATNFGDI GVQQDKRRGV TQMGNTNYIT EATIMRPAEV DATA SEQUENCE GYSAPYYSFE ASTQGPFKTP IAAGRGGAQT DENQAADGNP RYAFGRQHGK 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 -0.000 0.000 0.244 37 G C 0.000 174.927 174.900 0.045 0.000 0.946 37 G CA 0.000 45.124 45.100 0.040 0.000 0.502 38 V N 1.876 121.814 119.914 0.040 0.000 2.231 38 V HA 0.058 4.178 4.120 -0.000 0.000 0.248 38 V C 2.073 178.194 176.094 0.045 0.000 1.054 38 V CA 3.116 65.441 62.300 0.041 0.000 1.015 38 V CB -0.406 31.437 31.823 0.033 0.000 0.638 38 V HN 0.550 nan 8.190 nan 0.000 0.444 39 G N -0.172 108.651 108.800 0.039 0.000 3.562 39 G HA2 0.411 4.371 3.960 -0.000 0.000 0.279 39 G HA3 0.411 4.371 3.960 -0.000 0.000 0.279 39 G C -0.039 174.885 174.900 0.039 0.000 1.314 39 G CA -0.252 44.871 45.100 0.039 0.000 1.189 39 G HN 0.489 nan 8.290 nan 0.000 0.562 40 I N 0.456 121.054 120.570 0.046 0.000 2.512 40 I HA 0.184 4.354 4.170 -0.000 0.000 0.287 40 I C -0.117 176.036 176.117 0.060 0.000 1.069 40 I CA -0.637 60.690 61.300 0.044 0.000 1.056 40 I CB 2.242 40.265 38.000 0.038 0.000 1.229 40 I HN -0.101 nan 8.210 nan 0.000 0.429 41 S N 2.649 118.381 115.700 0.054 0.000 2.560 41 S HA 0.023 4.493 4.470 -0.000 0.000 0.284 41 S C 0.865 175.516 174.600 0.085 0.000 1.327 41 S CA 0.058 58.303 58.200 0.075 0.000 1.055 41 S CB 0.891 64.118 63.200 0.045 0.000 0.868 41 S HN 0.769 nan 8.310 nan 0.000 0.506 42 T N 1.442 116.088 114.554 0.152 0.000 3.132 42 T HA 0.506 4.856 4.350 -0.000 0.000 0.274 42 T C 0.324 175.065 174.700 0.067 0.000 1.011 42 T CA 0.288 62.466 62.100 0.130 0.000 0.899 42 T CB -0.552 68.421 68.868 0.174 0.000 1.089 42 T HN 0.786 nan 8.240 nan 0.000 0.543 43 G N -0.536 108.265 108.800 0.001 0.000 2.548 43 G HA2 0.506 4.466 3.960 -0.000 0.000 0.301 43 G HA3 0.506 4.466 3.960 -0.000 0.000 0.301 43 G C -1.519 173.068 174.900 -0.523 0.000 1.349 43 G CA -0.434 44.298 45.100 -0.613 0.000 0.792 43 G HN 0.104 nan 8.290 nan 0.000 0.481 44 T N 0.143 114.240 114.554 -0.761 0.000 2.876 44 T HA 0.534 4.884 4.350 -0.000 0.000 0.289 44 T C -1.434 173.222 174.700 -0.073 0.000 1.014 44 T CA -0.254 61.690 62.100 -0.259 0.000 0.986 44 T CB 1.366 70.130 68.868 -0.174 0.000 1.021 44 T HN 0.468 nan 8.240 nan 0.000 0.458 45 F N 4.717 124.675 119.950 0.015 0.000 2.390 45 F HA 0.581 5.108 4.527 -0.000 0.000 0.361 45 F C 0.049 175.909 175.800 0.100 0.000 1.124 45 F CA -0.577 57.508 58.000 0.141 0.000 1.149 45 F CB 0.302 39.342 39.000 0.068 0.000 1.160 45 F HN 0.398 nan 8.300 nan 0.000 0.501 46 N N 4.865 123.450 118.700 -0.191 0.000 2.430 46 N HA 0.263 5.003 4.740 -0.000 0.000 0.290 46 N C -1.409 174.016 175.510 -0.142 0.000 1.063 46 N CA -0.472 52.548 53.050 -0.050 0.000 0.883 46 N CB 1.073 39.550 38.487 -0.018 0.000 1.465 46 N HN 0.642 nan 8.380 nan 0.000 0.493 47 N N 2.433 121.151 118.700 0.030 0.000 2.451 47 N HA 0.140 4.880 4.740 -0.000 0.000 0.271 47 N C -1.018 174.600 175.510 0.181 0.000 1.410 47 N CA 0.023 53.121 53.050 0.079 0.000 0.884 47 N CB 0.736 39.322 38.487 0.163 0.000 1.332 47 N HN 0.637 nan 8.380 nan 0.000 0.498 48 Q N -0.176 119.724 119.800 0.167 0.000 2.221 48 Q HA 0.397 4.737 4.340 -0.000 0.000 0.242 48 Q C -0.516 175.607 176.000 0.205 0.000 0.940 48 Q CA -0.186 55.734 55.803 0.196 0.000 0.896 48 Q CB 1.585 30.425 28.738 0.170 0.000 1.226 48 Q HN -0.067 nan 8.270 nan 0.000 0.463 49 T N 2.052 116.758 114.554 0.254 0.000 2.815 49 T HA 0.276 4.626 4.350 -0.000 0.000 0.289 49 T C -0.951 173.913 174.700 0.274 0.000 1.000 49 T CA -0.635 61.628 62.100 0.272 0.000 0.958 49 T CB 0.754 69.865 68.868 0.404 0.000 0.944 49 T HN 0.420 nan 8.240 nan 0.000 0.442 50 E N 2.060 122.358 120.200 0.163 0.000 2.214 50 E HA 0.564 4.914 4.350 -0.000 0.000 0.274 50 E C -1.094 175.544 176.600 0.063 0.000 0.977 50 E CA -0.684 55.830 56.400 0.190 0.000 0.827 50 E CB 1.389 31.171 29.700 0.137 0.000 1.130 50 E HN 0.390 nan 8.360 nan 0.000 0.394 51 F N 1.734 121.782 119.950 0.162 0.000 2.493 51 F HA 0.406 4.933 4.527 -0.000 0.000 0.329 51 F C 0.155 176.071 175.800 0.192 0.000 1.126 51 F CA -0.731 57.385 58.000 0.193 0.000 0.937 51 F CB 1.660 40.775 39.000 0.192 0.000 1.146 51 F HN 0.182 nan 8.300 nan 0.000 0.442 52 K N 3.976 124.593 120.400 0.363 0.000 2.426 52 K HA 0.564 4.884 4.320 -0.000 0.000 0.251 52 K C -1.492 175.427 176.600 0.531 0.000 0.941 52 K CA -0.479 55.998 56.287 0.317 0.000 0.808 52 K CB 1.688 34.300 32.500 0.187 0.000 1.265 52 K HN 0.562 nan 8.250 nan 0.000 0.432 53 F N 3.386 123.403 119.950 0.112 0.000 2.379 53 F HA 0.267 4.794 4.527 -0.000 0.000 0.332 53 F C 0.375 176.235 175.800 0.098 0.000 1.096 53 F CA -1.089 56.975 58.000 0.108 0.000 1.105 53 F CB 0.967 40.016 39.000 0.082 0.000 1.189 53 F HN 0.304 nan 8.300 nan 0.000 0.515 54 L N 0.084 121.471 121.223 0.274 0.000 2.867 54 L HA 0.229 4.569 4.340 -0.000 0.000 0.235 54 L C 0.016 176.980 176.870 0.157 0.000 2.007 54 L CA -0.703 54.245 54.840 0.180 0.000 2.313 54 L CB -0.254 41.889 42.059 0.141 0.000 2.475 54 L HN 0.528 nan 8.230 nan 0.000 0.585 55 E N 0.763 121.034 120.200 0.118 0.000 2.570 55 E HA -0.204 4.146 4.350 -0.000 0.000 0.274 55 E C -0.218 176.483 176.600 0.168 0.000 1.073 55 E CA 0.033 56.501 56.400 0.113 0.000 1.005 55 E CB -0.332 29.401 29.700 0.054 0.000 1.008 55 E HN 0.482 nan 8.360 nan 0.000 0.460 56 N N 0.842 119.621 118.700 0.132 0.000 2.386 56 N HA -0.011 4.729 4.740 -0.000 0.000 0.273 56 N C 0.734 176.308 175.510 0.107 0.000 1.331 56 N CA 0.791 53.898 53.050 0.094 0.000 0.891 56 N CB -0.162 38.365 38.487 0.068 0.000 1.139 56 N HN 0.750 nan 8.380 nan 0.000 0.487 57 G N 2.578 111.357 108.800 -0.035 0.000 2.194 57 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.236 57 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.236 57 G C -0.620 174.029 174.900 -0.419 0.000 0.987 57 G CA -0.227 44.740 45.100 -0.222 0.000 0.635 57 G HN 0.583 nan 8.290 nan 0.000 0.520 58 W N -0.047 121.155 121.300 -0.163 0.000 2.719 58 W HA 0.717 5.377 4.660 -0.000 0.000 0.352 58 W C 0.264 176.693 176.519 -0.150 0.000 1.085 58 W CA -0.453 56.811 57.345 -0.135 0.000 1.187 58 W CB 1.900 31.306 29.460 -0.089 0.000 1.417 58 W HN 0.609 nan 8.180 nan 0.000 0.557 59 V N -1.311 118.700 119.914 0.162 0.000 2.962 59 V HA 0.563 4.683 4.120 -0.000 0.000 0.313 59 V C -0.988 175.242 176.094 0.226 0.000 1.099 59 V CA -1.375 61.028 62.300 0.173 0.000 0.971 59 V CB 1.850 33.770 31.823 0.161 0.000 1.028 59 V HN 0.646 nan 8.190 nan 0.000 0.430 60 E N 2.971 123.301 120.200 0.217 0.000 2.063 60 E HA 0.503 4.853 4.350 -0.000 0.000 0.265 60 E C -1.006 175.651 176.600 0.096 0.000 0.919 60 E CA -0.662 55.835 56.400 0.162 0.000 0.756 60 E CB 1.123 30.905 29.700 0.137 0.000 1.120 60 E HN 0.771 nan 8.360 nan 0.000 0.414 61 I N 4.138 124.748 120.570 0.067 0.000 2.337 61 I HA 0.122 4.292 4.170 -0.000 0.000 0.291 61 I C -0.132 176.032 176.117 0.080 0.000 1.046 61 I CA -0.078 61.153 61.300 -0.115 0.000 1.324 61 I CB 1.339 39.262 38.000 -0.129 0.000 1.409 61 I HN 0.387 nan 8.210 nan 0.000 0.494 62 T N 6.226 120.788 114.554 0.013 0.000 2.821 62 T HA 0.518 4.868 4.350 -0.000 0.000 0.307 62 T C 0.023 174.802 174.700 0.131 0.000 1.034 62 T CA -0.515 61.636 62.100 0.085 0.000 0.953 62 T CB 1.096 70.002 68.868 0.063 0.000 0.968 62 T HN 0.649 nan 8.240 nan 0.000 0.462 63 A N 4.348 127.283 122.820 0.191 0.000 2.249 63 A HA 0.639 4.959 4.320 -0.000 0.000 0.314 63 A C -0.005 177.779 177.584 0.333 0.000 1.290 63 A CA -0.804 51.369 52.037 0.228 0.000 0.893 63 A CB 0.065 19.119 19.000 0.091 0.000 1.165 63 A HN 0.795 nan 8.150 nan 0.000 0.530 64 N N 0.883 119.737 118.700 0.257 0.000 2.430 64 N HA 0.582 5.322 4.740 -0.000 0.000 0.292 64 N C -0.733 174.861 175.510 0.141 0.000 1.051 64 N CA -0.081 53.094 53.050 0.207 0.000 0.917 64 N CB 1.734 40.279 38.487 0.096 0.000 1.164 64 N HN 0.490 nan 8.380 nan 0.000 0.484 65 S N 0.917 116.627 115.700 0.016 0.000 2.720 65 S HA 0.575 5.045 4.470 -0.000 0.000 0.278 65 S C -1.272 173.216 174.600 -0.187 0.000 1.172 65 S CA -0.700 57.422 58.200 -0.130 0.000 1.019 65 S CB 0.073 63.040 63.200 -0.388 0.000 1.049 65 S HN 0.549 nan 8.310 nan 0.000 0.483 66 S N 4.064 119.641 115.700 -0.204 0.000 2.600 66 S HA 0.913 5.383 4.470 -0.000 0.000 0.300 66 S C -0.578 174.069 174.600 0.078 0.000 1.087 66 S CA -0.936 57.170 58.200 -0.157 0.000 0.965 66 S CB 2.040 64.975 63.200 -0.442 0.000 1.089 66 S HN 0.864 nan 8.310 nan 0.000 0.496 67 R N -0.374 120.345 120.500 0.366 0.000 2.663 67 R HA 0.531 4.871 4.340 -0.000 0.000 0.267 67 R C -2.232 174.145 176.300 0.127 0.000 1.038 67 R CA -0.764 55.526 56.100 0.317 0.000 0.886 67 R CB 1.317 31.741 30.300 0.207 0.000 1.249 67 R HN 0.661 nan 8.270 nan 0.000 0.463 68 L N 3.484 124.591 121.223 -0.194 0.000 2.260 68 L HA 0.480 4.820 4.340 -0.000 0.000 0.289 68 L C -1.270 175.287 176.870 -0.522 0.000 1.057 68 L CA -0.145 54.244 54.840 -0.752 0.000 0.811 68 L CB 1.450 42.902 42.059 -1.011 0.000 1.184 68 L HN 0.355 nan 8.230 nan 0.000 0.429 69 V N 5.319 124.823 119.914 -0.683 0.000 2.427 69 V HA 0.319 4.439 4.120 -0.000 0.000 0.286 69 V C -0.149 175.552 176.094 -0.655 0.000 1.034 69 V CA -0.675 61.196 62.300 -0.715 0.000 0.893 69 V CB 1.054 32.195 31.823 -1.137 0.000 0.982 69 V HN 0.737 nan 8.190 nan 0.000 0.452 70 H N 5.682 124.507 119.070 -0.408 0.000 2.504 70 H HA 0.601 5.157 4.556 -0.000 0.000 0.322 70 H C -1.516 173.750 175.328 -0.104 0.000 1.055 70 H CA -0.661 55.257 56.048 -0.217 0.000 1.231 70 H CB 1.781 31.448 29.762 -0.158 0.000 1.417 70 H HN 0.557 nan 8.280 nan 0.000 0.472 71 L N 5.203 126.225 121.223 -0.336 0.000 2.362 71 L HA 0.398 4.738 4.340 -0.000 0.000 0.275 71 L C -1.051 175.735 176.870 -0.141 0.000 0.998 71 L CA -0.448 54.334 54.840 -0.095 0.000 0.820 71 L CB 1.714 43.865 42.059 0.154 0.000 1.270 71 L HN 0.628 nan 8.230 nan 0.000 0.415 72 N N 3.291 121.969 118.700 -0.037 0.000 2.489 72 N HA 0.521 5.261 4.740 -0.000 0.000 0.284 72 N C -0.585 174.933 175.510 0.014 0.000 1.158 72 N CA -0.732 52.323 53.050 0.009 0.000 0.965 72 N CB 1.373 39.885 38.487 0.042 0.000 1.195 72 N HN 0.745 nan 8.380 nan 0.000 0.506 73 M N 3.065 122.679 119.600 0.024 0.000 2.252 73 M HA 0.188 4.668 4.480 -0.000 0.000 0.348 73 M C -2.094 174.189 176.300 -0.028 0.000 1.334 73 M CA -0.958 54.335 55.300 -0.011 0.000 1.071 73 M CB 0.539 33.144 32.600 0.007 0.000 1.763 73 M HN 0.367 nan 8.290 nan 0.000 0.452 74 P HA 0.008 nan 4.420 nan 0.000 0.267 74 P C -0.487 176.783 177.300 -0.050 0.000 1.200 74 P CA 0.255 63.316 63.100 -0.066 0.000 0.772 74 P CB 0.435 32.062 31.700 -0.121 0.000 0.855 75 E N 0.328 120.503 120.200 -0.041 0.000 2.070 75 E HA -0.124 4.226 4.350 -0.000 0.000 0.197 75 E C 0.752 177.330 176.600 -0.038 0.000 1.004 75 E CA 1.278 57.657 56.400 -0.035 0.000 0.805 75 E CB -0.037 29.642 29.700 -0.035 0.000 0.744 75 E HN 0.458 nan 8.360 nan 0.000 0.451 76 S N -0.909 114.761 115.700 -0.050 0.000 2.540 76 S HA 0.119 4.589 4.470 -0.000 0.000 0.275 76 S C -0.165 174.395 174.600 -0.068 0.000 1.123 76 S CA -0.785 57.388 58.200 -0.045 0.000 0.907 76 S CB 1.588 64.766 63.200 -0.037 0.000 1.081 76 S HN -0.033 nan 8.310 nan 0.000 0.476 77 E N 2.410 122.578 120.200 -0.054 0.000 2.512 77 E HA 0.113 4.463 4.350 -0.000 0.000 0.195 77 E C -0.207 176.366 176.600 -0.045 0.000 1.083 77 E CA 0.252 56.607 56.400 -0.075 0.000 0.873 77 E CB -0.239 29.432 29.700 -0.048 0.000 0.897 77 E HN 0.565 nan 8.360 nan 0.000 0.514 78 N N -0.468 118.217 118.700 -0.025 0.000 2.459 78 N HA 0.256 4.996 4.740 -0.000 0.000 0.288 78 N C -0.977 174.539 175.510 0.009 0.000 1.186 78 N CA -0.592 52.486 53.050 0.046 0.000 0.917 78 N CB 0.901 39.427 38.487 0.064 0.000 1.219 78 N HN -0.119 nan 8.380 nan 0.000 0.525 79 Y N 0.693 121.062 120.300 0.115 0.000 2.308 79 Y HA 0.391 4.941 4.550 -0.000 0.000 0.329 79 Y C -0.006 175.877 175.900 -0.029 0.000 1.111 79 Y CA -0.236 57.937 58.100 0.122 0.000 1.179 79 Y CB 1.035 39.689 38.460 0.325 0.000 1.201 79 Y HN 0.229 nan 8.280 nan 0.000 0.483 80 R N 1.705 122.227 120.500 0.036 0.000 2.670 80 R HA 0.509 4.849 4.340 -0.000 0.000 0.289 80 R C -0.952 175.225 176.300 -0.206 0.000 0.965 80 R CA -1.058 54.983 56.100 -0.099 0.000 0.899 80 R CB 1.876 32.114 30.300 -0.104 0.000 1.173 80 R HN 0.541 nan 8.270 nan 0.000 0.456 81 R N 2.543 122.864 120.500 -0.298 0.000 2.233 81 R HA 0.357 4.697 4.340 -0.000 0.000 0.334 81 R C -1.185 174.912 176.300 -0.339 0.000 1.037 81 R CA -0.346 55.497 56.100 -0.427 0.000 0.920 81 R CB 0.689 30.620 30.300 -0.616 0.000 1.137 81 R HN 0.393 nan 8.270 nan 0.000 0.492 82 V N 4.920 124.649 119.914 -0.310 0.000 2.547 82 V HA 0.408 4.528 4.120 -0.000 0.000 0.299 82 V C -0.144 175.741 176.094 -0.348 0.000 1.040 82 V CA -0.796 61.333 62.300 -0.285 0.000 0.913 82 V CB 1.909 33.587 31.823 -0.243 0.000 0.992 82 V HN 0.433 nan 8.190 nan 0.000 0.449 83 V N 4.390 124.086 119.914 -0.363 0.000 2.581 83 V HA 0.523 4.643 4.120 -0.000 0.000 0.303 83 V C -0.309 175.487 176.094 -0.497 0.000 1.041 83 V CA -0.569 61.441 62.300 -0.484 0.000 0.907 83 V CB 2.107 33.620 31.823 -0.518 0.000 0.994 83 V HN 0.596 nan 8.190 nan 0.000 0.442 84 V N 4.482 124.017 119.914 -0.631 0.000 2.409 84 V HA 0.472 4.592 4.120 -0.000 0.000 0.291 84 V C -0.285 175.579 176.094 -0.383 0.000 1.020 84 V CA -0.520 61.501 62.300 -0.464 0.000 0.848 84 V CB 1.589 33.125 31.823 -0.478 0.000 0.990 84 V HN 0.975 nan 8.190 nan 0.000 0.430 85 N N 3.513 122.050 118.700 -0.272 0.000 2.352 85 N HA 0.420 5.160 4.740 -0.000 0.000 0.291 85 N C -0.525 174.911 175.510 -0.123 0.000 1.040 85 N CA -0.521 52.403 53.050 -0.211 0.000 0.864 85 N CB 1.354 39.687 38.487 -0.257 0.000 1.440 85 N HN 0.711 nan 8.380 nan 0.000 0.483 86 N N 5.184 123.839 118.700 -0.075 0.000 2.610 86 N HA 0.110 4.850 4.740 -0.000 0.000 0.307 86 N C 0.317 175.807 175.510 -0.034 0.000 1.813 86 N CA -0.334 52.686 53.050 -0.049 0.000 0.901 86 N CB 0.107 38.576 38.487 -0.031 0.000 1.354 86 N HN 0.643 nan 8.380 nan 0.000 0.491 87 M N 0.277 119.855 119.600 -0.037 0.000 2.149 87 M HA -0.201 4.278 4.480 -0.000 0.000 0.261 87 M C 0.860 177.144 176.300 -0.026 0.000 1.064 87 M CA 2.210 57.495 55.300 -0.024 0.000 1.102 87 M CB -0.467 32.119 32.600 -0.023 0.000 1.369 87 M HN 0.304 nan 8.290 nan 0.000 0.408 88 D N -0.091 120.290 120.400 -0.032 0.000 2.315 88 D HA -0.189 4.451 4.640 -0.000 0.000 0.211 88 D C 1.844 178.128 176.300 -0.027 0.000 0.977 88 D CA 1.075 55.057 54.000 -0.029 0.000 0.894 88 D CB -0.146 40.634 40.800 -0.032 0.000 0.910 88 D HN 0.155 nan 8.370 nan 0.000 0.490 89 K N -0.323 120.062 120.400 -0.026 0.000 2.190 89 K HA 0.050 4.370 4.320 -0.000 0.000 0.202 89 K C 2.119 178.703 176.600 -0.027 0.000 1.045 89 K CA 1.459 57.731 56.287 -0.025 0.000 0.976 89 K CB -0.251 32.235 32.500 -0.023 0.000 0.849 89 K HN 0.408 nan 8.250 nan 0.000 0.468 90 T N -1.076 113.463 114.554 -0.024 0.000 3.118 90 T HA 0.121 4.471 4.350 -0.000 0.000 0.260 90 T C 1.874 176.558 174.700 -0.028 0.000 1.139 90 T CA 0.784 62.868 62.100 -0.026 0.000 1.085 90 T CB 0.101 68.961 68.868 -0.014 0.000 0.934 90 T HN 0.060 nan 8.240 nan 0.000 0.518 91 A N 1.429 124.234 122.820 -0.025 0.000 1.969 91 A HA 0.244 4.564 4.320 -0.000 0.000 0.218 91 A C 1.331 178.897 177.584 -0.030 0.000 1.169 91 A CA 0.406 52.427 52.037 -0.026 0.000 0.635 91 A CB -0.690 18.295 19.000 -0.024 0.000 0.810 91 A HN 0.443 nan 8.150 nan 0.000 0.445 92 V N 3.046 122.942 119.914 -0.029 0.000 2.403 92 V HA 0.026 4.146 4.120 -0.000 0.000 0.265 92 V C -0.574 175.499 176.094 -0.035 0.000 1.034 92 V CA -0.760 61.523 62.300 -0.029 0.000 1.036 92 V CB -0.394 31.414 31.823 -0.025 0.000 1.032 92 V HN 0.390 nan 8.190 nan 0.000 0.478 93 D N 4.782 125.158 120.400 -0.040 0.000 2.648 93 D HA 0.140 4.780 4.640 -0.000 0.000 0.229 93 D C 1.278 177.553 176.300 -0.042 0.000 1.119 93 D CA 1.659 55.626 54.000 -0.055 0.000 0.850 93 D CB 0.776 41.532 40.800 -0.074 0.000 1.169 93 D HN 0.978 nan 8.370 nan 0.000 0.489 94 G N 2.543 111.313 108.800 -0.050 0.000 2.141 94 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.231 94 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.231 94 G C 0.752 175.616 174.900 -0.059 0.000 0.984 94 G CA -0.211 44.867 45.100 -0.036 0.000 0.660 94 G HN 0.483 nan 8.290 nan 0.000 0.525 95 N N -0.425 118.233 118.700 -0.069 0.000 2.200 95 N HA 0.301 5.041 4.740 -0.000 0.000 0.224 95 N C 2.093 177.540 175.510 -0.105 0.000 1.179 95 N CA 0.510 53.513 53.050 -0.078 0.000 0.877 95 N CB -0.070 38.386 38.487 -0.053 0.000 1.072 95 N HN 0.466 nan 8.380 nan 0.000 0.519 96 M N 0.316 119.840 119.600 -0.128 0.000 2.124 96 M HA -0.241 4.239 4.480 -0.000 0.000 0.253 96 M C 2.061 178.242 176.300 -0.197 0.000 1.077 96 M CA 2.117 57.329 55.300 -0.147 0.000 1.085 96 M CB -0.655 31.837 32.600 -0.179 0.000 1.320 96 M HN 0.151 nan 8.290 nan 0.000 0.404 97 A N 0.047 122.670 122.820 -0.328 0.000 2.084 97 A HA -0.070 4.250 4.320 -0.000 0.000 0.221 97 A C 1.962 179.470 177.584 -0.126 0.000 1.161 97 A CA 1.260 53.076 52.037 -0.369 0.000 0.653 97 A CB -1.036 17.679 19.000 -0.475 0.000 0.802 97 A HN 0.558 nan 8.150 nan 0.000 0.457 98 L N 0.045 121.215 121.223 -0.089 0.000 2.653 98 L HA 0.101 4.441 4.340 -0.000 0.000 0.232 98 L C 0.103 176.969 176.870 -0.007 0.000 1.169 98 L CA -0.461 54.358 54.840 -0.035 0.000 0.951 98 L CB -0.549 41.487 42.059 -0.037 0.000 1.181 98 L HN 0.213 nan 8.230 nan 0.000 0.460 99 D N 0.383 120.786 120.400 0.005 0.000 2.425 99 D HA -0.023 4.617 4.640 -0.000 0.000 0.247 99 D C 0.411 176.755 176.300 0.073 0.000 1.147 99 D CA 0.561 54.588 54.000 0.044 0.000 0.879 99 D CB 0.890 41.732 40.800 0.069 0.000 1.179 99 D HN -0.008 nan 8.370 nan 0.000 0.456 100 D N 2.533 122.976 120.400 0.072 0.000 2.520 100 D HA 0.096 4.736 4.640 -0.000 0.000 0.223 100 D C 0.027 176.414 176.300 0.144 0.000 1.186 100 D CA -0.277 53.781 54.000 0.098 0.000 0.821 100 D CB 0.211 41.051 40.800 0.068 0.000 1.072 100 D HN 0.338 nan 8.370 nan 0.000 0.518 101 I N 3.360 123.983 120.570 0.089 0.000 2.821 101 I HA -0.014 4.156 4.170 -0.000 0.000 0.294 101 I C 0.610 176.657 176.117 -0.116 0.000 1.210 101 I CA 1.023 62.313 61.300 -0.016 0.000 1.430 101 I CB -0.028 38.011 38.000 0.064 0.000 1.356 101 I HN 0.109 nan 8.210 nan 0.000 0.563 102 H N 4.483 123.144 119.070 -0.683 0.000 2.969 102 H HA 0.753 5.309 4.556 -0.000 0.000 0.304 102 H C -1.949 172.792 175.328 -0.978 0.000 1.400 102 H CA -1.207 53.953 56.048 -1.480 0.000 1.182 102 H CB 0.621 29.922 29.762 -0.768 0.000 1.865 102 H HN 0.569 nan 8.280 nan 0.000 0.512 103 A N 1.305 123.563 122.820 -0.937 0.000 2.356 103 A HA 0.663 4.983 4.320 -0.000 0.000 0.323 103 A C -0.528 177.071 177.584 0.025 0.000 1.119 103 A CA -0.213 51.629 52.037 -0.325 0.000 0.790 103 A CB 1.399 20.460 19.000 0.101 0.000 1.273 103 A HN 0.856 nan 8.150 nan 0.000 0.452 104 E N 1.315 121.451 120.200 -0.106 0.000 2.352 104 E HA 0.491 4.841 4.350 -0.000 0.000 0.280 104 E C -1.608 174.834 176.600 -0.262 0.000 0.930 104 E CA -0.858 55.492 56.400 -0.084 0.000 0.765 104 E CB 1.172 30.813 29.700 -0.098 0.000 1.219 104 E HN 0.310 nan 8.360 nan 0.000 0.434 105 I N 2.802 123.116 120.570 -0.426 0.000 2.352 105 I HA 0.165 4.335 4.170 -0.000 0.000 0.290 105 I C -0.191 175.665 176.117 -0.434 0.000 1.036 105 I CA -0.806 60.204 61.300 -0.483 0.000 1.336 105 I CB 1.196 38.766 38.000 -0.716 0.000 1.407 105 I HN 0.471 nan 8.210 nan 0.000 0.497 106 V N 6.621 126.400 119.914 -0.225 0.000 2.348 106 V HA 0.238 4.358 4.120 -0.000 0.000 0.270 106 V C 0.754 176.810 176.094 -0.064 0.000 1.037 106 V CA -0.549 61.655 62.300 -0.160 0.000 0.872 106 V CB 1.149 32.893 31.823 -0.131 0.000 1.002 106 V HN 0.891 nan 8.190 nan 0.000 0.464 107 T N 3.287 117.822 114.554 -0.032 0.000 2.918 107 T HA 0.455 4.805 4.350 -0.000 0.000 0.283 107 T C -1.611 173.057 174.700 -0.054 0.000 1.001 107 T CA -2.036 60.042 62.100 -0.035 0.000 1.041 107 T CB 1.959 71.029 68.868 0.337 0.000 1.028 107 T HN 0.493 nan 8.240 nan 0.000 0.511 108 P HA 0.213 nan 4.420 nan 0.000 0.255 108 P C -0.879 176.324 177.300 -0.161 0.000 1.301 108 P CA -0.273 62.709 63.100 -0.197 0.000 0.817 108 P CB -0.151 31.354 31.700 -0.326 0.000 1.259 109 W N 0.054 121.368 121.300 0.024 0.000 2.578 109 W HA 0.464 5.124 4.660 -0.000 0.000 0.353 109 W C 0.419 177.082 176.519 0.240 0.000 1.088 109 W CA -0.219 57.201 57.345 0.126 0.000 1.235 109 W CB 1.171 30.703 29.460 0.121 0.000 1.362 109 W HN -0.309 nan 8.180 nan 0.000 0.592 110 S N 1.490 117.490 115.700 0.501 0.000 2.578 110 S HA 0.641 5.111 4.470 -0.000 0.000 0.301 110 S C -1.529 173.332 174.600 0.435 0.000 1.091 110 S CA -0.667 57.773 58.200 0.400 0.000 1.032 110 S CB 1.217 64.564 63.200 0.246 0.000 1.064 110 S HN 0.328 nan 8.310 nan 0.000 0.508 111 L N 3.263 124.678 121.223 0.320 0.000 2.313 111 L HA 0.625 4.965 4.340 -0.000 0.000 0.283 111 L C -1.110 175.765 176.870 0.010 0.000 1.013 111 L CA -0.395 54.513 54.840 0.114 0.000 0.816 111 L CB 1.351 43.502 42.059 0.153 0.000 1.236 111 L HN 0.407 nan 8.230 nan 0.000 0.419 112 V N 4.699 124.564 119.914 -0.082 0.000 2.284 112 V HA 0.285 4.405 4.120 -0.000 0.000 0.260 112 V C -0.374 175.621 176.094 -0.164 0.000 1.084 112 V CA -0.429 61.806 62.300 -0.109 0.000 0.894 112 V CB 0.530 32.320 31.823 -0.055 0.000 1.119 112 V HN 0.786 nan 8.190 nan 0.000 0.484 113 D N 3.547 123.845 120.400 -0.171 0.000 2.193 113 D HA 0.667 5.307 4.640 -0.000 0.000 0.244 113 D C 0.502 176.678 176.300 -0.206 0.000 1.064 113 D CA -0.087 53.816 54.000 -0.161 0.000 0.845 113 D CB 1.948 42.656 40.800 -0.154 0.000 1.148 113 D HN 0.523 nan 8.370 nan 0.000 0.464 114 A N 3.616 126.356 122.820 -0.134 0.000 2.545 114 A HA 0.120 4.440 4.320 -0.000 0.000 0.263 114 A C 0.735 178.299 177.584 -0.034 0.000 1.202 114 A CA -0.403 51.565 52.037 -0.114 0.000 0.959 114 A CB -0.011 19.016 19.000 0.044 0.000 1.124 114 A HN 0.493 nan 8.150 nan 0.000 0.543 115 N N 2.396 120.925 118.700 -0.284 0.000 2.744 115 N HA 0.414 5.154 4.740 -0.000 0.000 0.290 115 N C -0.588 174.690 175.510 -0.387 0.000 1.206 115 N CA 0.902 53.581 53.050 -0.619 0.000 1.119 115 N CB -0.271 37.664 38.487 -0.919 0.000 1.449 115 N HN 0.510 nan 8.380 nan 0.000 0.514 116 A N 1.769 124.448 122.820 -0.234 0.000 2.547 116 A HA 0.209 4.529 4.320 -0.000 0.000 0.298 116 A C 0.200 177.703 177.584 -0.134 0.000 1.062 116 A CA -0.848 51.073 52.037 -0.193 0.000 0.748 116 A CB -0.181 18.792 19.000 -0.046 0.000 1.288 116 A HN 0.462 nan 8.150 nan 0.000 0.396 117 W N 2.005 123.269 121.300 -0.061 0.000 2.321 117 W HA -0.084 4.576 4.660 -0.000 0.000 0.306 117 W C 2.209 178.546 176.519 -0.302 0.000 1.217 117 W CA 2.086 59.436 57.345 0.009 0.000 1.257 117 W CB -0.078 29.299 29.460 -0.137 0.000 1.145 117 W HN 0.944 nan 8.180 nan 0.000 0.509 118 G N 0.152 108.447 108.800 -0.842 0.000 2.499 118 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.221 118 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.221 118 G C 1.347 175.506 174.900 -1.234 0.000 1.109 118 G CA 1.469 45.446 45.100 -1.871 0.000 0.749 118 G HN 0.230 nan 8.290 nan 0.000 0.568 119 V N -1.225 118.278 119.914 -0.685 0.000 2.591 119 V HA -0.034 4.086 4.120 -0.000 0.000 0.249 119 V C 2.111 177.867 176.094 -0.562 0.000 1.053 119 V CA 1.347 63.353 62.300 -0.490 0.000 1.068 119 V CB -0.413 31.073 31.823 -0.562 0.000 0.689 119 V HN 0.629 nan 8.190 nan 0.000 0.462 120 W N -1.726 119.494 121.300 -0.134 0.000 2.907 120 W HA 0.404 5.064 4.660 -0.000 0.000 0.271 120 W C 0.448 176.706 176.519 -0.436 0.000 1.253 120 W CA -0.410 56.758 57.345 -0.295 0.000 1.501 120 W CB 0.173 29.344 29.460 -0.480 0.000 1.047 120 W HN 0.027 nan 8.180 nan 0.000 0.610 121 F N 1.512 121.743 119.950 0.468 0.000 2.565 121 F HA 0.286 4.813 4.527 -0.000 0.000 0.313 121 F C 0.202 176.243 175.800 0.402 0.000 1.091 121 F CA -1.509 56.768 58.000 0.461 0.000 0.915 121 F CB 1.066 40.418 39.000 0.586 0.000 1.208 121 F HN -0.296 nan 8.300 nan 0.000 0.453 122 N N 1.632 120.645 118.700 0.522 0.000 2.476 122 N HA 0.503 5.243 4.740 -0.000 0.000 0.276 122 N C -2.530 173.176 175.510 0.327 0.000 1.204 122 N CA -2.100 51.201 53.050 0.418 0.000 0.974 122 N CB 0.371 39.076 38.487 0.363 0.000 1.204 122 N HN 0.107 nan 8.380 nan 0.000 0.543 123 P HA -0.155 nan 4.420 nan 0.000 0.216 123 P C 1.386 178.692 177.300 0.011 0.000 1.167 123 P CA 2.510 65.667 63.100 0.096 0.000 0.914 123 P CB -0.309 31.530 31.700 0.232 0.000 0.793 124 G N -0.215 108.611 108.800 0.044 0.000 2.529 124 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 124 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 124 G C 1.294 176.207 174.900 0.021 0.000 1.177 124 G CA 1.478 46.578 45.100 0.000 0.000 0.773 124 G HN 0.204 nan 8.290 nan 0.000 0.573 125 D N -0.597 119.889 120.400 0.144 0.000 2.097 125 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 125 D C 1.933 178.249 176.300 0.026 0.000 0.989 125 D CA 0.663 54.783 54.000 0.200 0.000 0.827 125 D CB -0.458 40.626 40.800 0.474 0.000 0.966 125 D HN 0.538 nan 8.370 nan 0.000 0.456 126 W N 2.087 123.243 121.300 -0.239 0.000 2.338 126 W HA -0.235 4.425 4.660 -0.000 0.000 0.304 126 W C 2.246 178.540 176.519 -0.374 0.000 1.212 126 W CA 1.517 58.572 57.345 -0.484 0.000 1.264 126 W CB -0.123 28.798 29.460 -0.898 0.000 1.142 126 W HN 0.092 nan 8.180 nan 0.000 0.512 127 Q N 0.465 120.143 119.800 -0.202 0.000 2.014 127 Q HA -0.302 4.038 4.340 -0.000 0.000 0.207 127 Q C 2.425 178.244 176.000 -0.301 0.000 0.993 127 Q CA 2.340 57.997 55.803 -0.244 0.000 0.850 127 Q CB -0.787 27.840 28.738 -0.184 0.000 0.916 127 Q HN 0.246 nan 8.270 nan 0.000 0.417 128 L N 0.964 122.036 121.223 -0.252 0.000 1.997 128 L HA -0.236 4.104 4.340 -0.000 0.000 0.216 128 L C 2.193 178.878 176.870 -0.309 0.000 1.074 128 L CA 1.860 56.537 54.840 -0.271 0.000 0.763 128 L CB -0.760 41.118 42.059 -0.301 0.000 0.890 128 L HN 0.429 nan 8.230 nan 0.000 0.434 129 I N -1.645 118.712 120.570 -0.356 0.000 2.091 129 I HA -0.342 3.828 4.170 -0.000 0.000 0.239 129 I C 2.388 178.190 176.117 -0.526 0.000 1.061 129 I CA 1.678 62.718 61.300 -0.434 0.000 1.317 129 I CB -0.553 37.012 38.000 -0.726 0.000 1.031 129 I HN 0.104 nan 8.210 nan 0.000 0.401 130 V N 1.118 120.593 119.914 -0.732 0.000 2.407 130 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 130 V C 2.023 177.911 176.094 -0.344 0.000 1.055 130 V CA 1.939 63.880 62.300 -0.598 0.000 1.049 130 V CB -0.783 30.624 31.823 -0.695 0.000 0.662 130 V HN 0.439 nan 8.190 nan 0.000 0.455 131 N N -0.112 118.408 118.700 -0.300 0.000 2.376 131 N HA -0.070 4.670 4.740 -0.000 0.000 0.177 131 N C 1.851 177.243 175.510 -0.196 0.000 1.024 131 N CA 1.633 54.554 53.050 -0.214 0.000 0.893 131 N CB -0.035 38.337 38.487 -0.192 0.000 0.980 131 N HN 0.689 nan 8.380 nan 0.000 0.439 132 T N -3.303 111.122 114.554 -0.215 0.000 3.010 132 T HA 0.306 4.656 4.350 -0.000 0.000 0.257 132 T C 0.483 175.068 174.700 -0.192 0.000 1.020 132 T CA -0.212 61.774 62.100 -0.190 0.000 0.938 132 T CB 0.375 69.133 68.868 -0.184 0.000 1.049 132 T HN -0.225 nan 8.240 nan 0.000 0.522 133 M N 2.093 121.568 119.600 -0.207 0.000 2.598 133 M HA 0.529 5.009 4.480 -0.000 0.000 0.317 133 M C 1.188 177.379 176.300 -0.182 0.000 1.201 133 M CA -0.691 54.491 55.300 -0.197 0.000 0.971 133 M CB 1.577 34.065 32.600 -0.187 0.000 1.657 133 M HN 0.245 nan 8.290 nan 0.000 0.470 134 S N -0.467 115.130 115.700 -0.171 0.000 2.506 134 S HA 0.198 4.668 4.470 -0.000 0.000 0.219 134 S C 0.146 174.702 174.600 -0.075 0.000 1.031 134 S CA -0.157 57.969 58.200 -0.124 0.000 0.911 134 S CB 0.444 63.572 63.200 -0.121 0.000 0.812 134 S HN 0.774 nan 8.310 nan 0.000 0.497 135 E N -0.236 119.932 120.200 -0.053 0.000 2.412 135 E HA 0.661 5.011 4.350 -0.000 0.000 0.279 135 E C -2.065 174.641 176.600 0.176 0.000 0.984 135 E CA -1.137 55.303 56.400 0.067 0.000 0.788 135 E CB 1.052 30.837 29.700 0.142 0.000 1.277 135 E HN 0.121 nan 8.360 nan 0.000 0.455 136 L N 1.565 122.959 121.223 0.285 0.000 2.410 136 L HA 0.440 4.780 4.340 -0.000 0.000 0.270 136 L C -1.395 175.848 176.870 0.621 0.000 0.983 136 L CA -0.346 54.757 54.840 0.438 0.000 0.822 136 L CB 1.800 44.069 42.059 0.349 0.000 1.285 136 L HN 0.641 nan 8.230 nan 0.000 0.409 137 H N 4.565 123.902 119.070 0.446 0.000 2.489 137 H HA 0.377 4.933 4.556 -0.000 0.000 0.343 137 H C -1.073 174.309 175.328 0.089 0.000 1.086 137 H CA -1.044 55.184 56.048 0.300 0.000 1.198 137 H CB 2.551 32.446 29.762 0.221 0.000 1.490 137 H HN 0.360 nan 8.280 nan 0.000 0.504 138 L N 4.321 125.366 121.223 -0.297 0.000 2.313 138 L HA 0.049 4.389 4.340 -0.000 0.000 0.282 138 L C 0.187 176.835 176.870 -0.371 0.000 1.092 138 L CA 0.294 54.655 54.840 -0.799 0.000 0.831 138 L CB 0.731 41.807 42.059 -1.638 0.000 1.159 138 L HN 0.486 nan 8.230 nan 0.000 0.442 139 V N 2.553 122.304 119.914 -0.273 0.000 2.602 139 V HA 0.340 4.460 4.120 -0.000 0.000 0.235 139 V C 0.597 176.756 176.094 0.108 0.000 1.087 139 V CA 0.999 63.299 62.300 -0.001 0.000 1.117 139 V CB 0.414 32.239 31.823 0.004 0.000 0.820 139 V HN 0.879 nan 8.190 nan 0.000 0.490 140 S N -0.669 115.000 115.700 -0.052 0.000 2.607 140 S HA 0.753 5.223 4.470 -0.000 0.000 0.273 140 S C -1.450 173.096 174.600 -0.089 0.000 1.148 140 S CA -0.529 57.539 58.200 -0.221 0.000 0.833 140 S CB 2.791 65.606 63.200 -0.642 0.000 1.130 140 S HN 0.255 nan 8.310 nan 0.000 0.470 141 F N 1.211 120.952 119.950 -0.348 0.000 2.596 141 F HA 0.689 5.216 4.527 -0.000 0.000 0.311 141 F C -1.542 174.129 175.800 -0.216 0.000 1.116 141 F CA -0.796 57.042 58.000 -0.269 0.000 0.957 141 F CB 1.778 40.610 39.000 -0.279 0.000 1.250 141 F HN 0.982 nan 8.300 nan 0.000 0.444 142 E N 4.967 124.799 120.200 -0.613 0.000 2.343 142 E HA 0.508 4.858 4.350 -0.000 0.000 0.278 142 E C -1.987 174.286 176.600 -0.545 0.000 0.910 142 E CA -0.995 55.025 56.400 -0.634 0.000 0.757 142 E CB 2.812 32.295 29.700 -0.361 0.000 1.218 142 E HN 0.734 nan 8.360 nan 0.000 0.435 143 Q N 0.958 120.478 119.800 -0.467 0.000 2.495 143 Q HA 0.586 4.926 4.340 -0.000 0.000 0.283 143 Q C -1.072 174.794 176.000 -0.223 0.000 1.097 143 Q CA -1.043 54.602 55.803 -0.265 0.000 0.836 143 Q CB 2.613 31.378 28.738 0.046 0.000 1.426 143 Q HN 0.648 nan 8.270 nan 0.000 0.459 144 E N 0.679 120.776 120.200 -0.171 0.000 2.378 144 E HA 0.387 4.737 4.350 -0.000 0.000 0.283 144 E C -1.832 174.904 176.600 0.226 0.000 0.979 144 E CA -0.313 56.066 56.400 -0.035 0.000 0.795 144 E CB 1.649 31.271 29.700 -0.130 0.000 1.221 144 E HN 0.523 nan 8.360 nan 0.000 0.428 145 I N 5.330 126.132 120.570 0.387 0.000 2.418 145 I HA 0.493 4.663 4.170 -0.000 0.000 0.287 145 I C -0.834 175.600 176.117 0.529 0.000 1.008 145 I CA -0.747 60.849 61.300 0.492 0.000 1.104 145 I CB 0.757 38.964 38.000 0.344 0.000 1.264 145 I HN 0.398 nan 8.210 nan 0.000 0.438 146 F N 3.468 123.610 119.950 0.320 0.000 2.692 146 F HA 0.515 5.042 4.527 -0.000 0.000 0.320 146 F C 0.162 176.180 175.800 0.363 0.000 1.123 146 F CA -1.609 56.544 58.000 0.255 0.000 0.961 146 F CB 0.758 39.844 39.000 0.143 0.000 1.383 146 F HN 0.478 nan 8.300 nan 0.000 0.483 147 N N 0.396 119.293 118.700 0.329 0.000 2.714 147 N HA -0.140 4.600 4.740 -0.000 0.000 0.253 147 N C -0.860 174.832 175.510 0.302 0.000 1.024 147 N CA 0.513 53.717 53.050 0.257 0.000 0.726 147 N CB -0.548 38.019 38.487 0.133 0.000 0.908 147 N HN 0.438 nan 8.380 nan 0.000 0.542 148 V N 1.050 121.109 119.914 0.243 0.000 2.740 148 V HA 0.228 4.348 4.120 -0.000 0.000 0.303 148 V C 0.879 177.065 176.094 0.152 0.000 1.054 148 V CA 0.159 62.586 62.300 0.212 0.000 1.106 148 V CB 1.769 33.674 31.823 0.137 0.000 0.957 148 V HN 0.058 nan 8.190 nan 0.000 0.486 149 V N 5.719 125.707 119.914 0.123 0.000 2.733 149 V HA 0.488 4.608 4.120 -0.000 0.000 0.306 149 V C -0.892 175.181 176.094 -0.035 0.000 1.084 149 V CA -0.589 61.739 62.300 0.046 0.000 0.905 149 V CB 1.906 33.758 31.823 0.047 0.000 1.010 149 V HN 0.596 nan 8.190 nan 0.000 0.424 150 L N 4.950 126.125 121.223 -0.081 0.000 2.349 150 L HA 0.614 4.954 4.340 -0.000 0.000 0.278 150 L C -0.093 176.636 176.870 -0.235 0.000 0.996 150 L CA -0.060 54.683 54.840 -0.162 0.000 0.825 150 L CB 1.693 43.696 42.059 -0.093 0.000 1.243 150 L HN 0.540 nan 8.230 nan 0.000 0.412 151 K N 1.051 121.156 120.400 -0.491 0.000 2.221 151 K HA 0.800 5.120 4.320 -0.000 0.000 0.243 151 K C -0.664 175.770 176.600 -0.278 0.000 0.968 151 K CA -0.811 55.208 56.287 -0.446 0.000 0.846 151 K CB 2.215 34.325 32.500 -0.651 0.000 1.141 151 K HN 0.405 nan 8.250 nan 0.000 0.434 152 T N 0.808 115.350 114.554 -0.019 0.000 2.887 152 T HA 0.425 4.775 4.350 -0.000 0.000 0.288 152 T C -1.186 173.623 174.700 0.181 0.000 1.021 152 T CA -0.605 61.546 62.100 0.084 0.000 1.000 152 T CB 1.386 70.272 68.868 0.031 0.000 1.034 152 T HN 0.155 nan 8.240 nan 0.000 0.467 153 V N 3.209 123.217 119.914 0.157 0.000 2.417 153 V HA 0.585 4.705 4.120 -0.000 0.000 0.291 153 V C -0.045 176.025 176.094 -0.040 0.000 1.024 153 V CA -0.579 61.750 62.300 0.048 0.000 0.861 153 V CB 1.738 33.617 31.823 0.093 0.000 0.985 153 V HN 0.958 nan 8.190 nan 0.000 0.436 154 S N 3.082 118.710 115.700 -0.121 0.000 2.704 154 S HA 0.753 5.223 4.470 -0.000 0.000 0.305 154 S C -0.504 174.027 174.600 -0.114 0.000 1.107 154 S CA -0.689 57.458 58.200 -0.089 0.000 0.993 154 S CB 2.463 65.621 63.200 -0.070 0.000 1.110 154 S HN 0.818 nan 8.310 nan 0.000 0.534 160 P HA -0.069 nan 4.420 nan 0.000 0.213 160 P C -1.954 175.340 177.300 -0.010 0.000 1.176 160 P CA 1.341 64.436 63.100 -0.009 0.000 0.919 160 P CB -0.782 30.913 31.700 -0.009 0.000 0.791 161 P HA 0.211 nan 4.420 nan 0.000 0.304 161 P C -1.173 176.112 177.300 -0.025 0.000 1.360 161 P CA -0.164 62.924 63.100 -0.020 0.000 0.869 161 P CB 1.526 33.212 31.700 -0.023 0.000 0.988 162 T N 3.272 117.810 114.554 -0.027 0.000 2.870 162 T HA 0.174 4.524 4.350 -0.000 0.000 0.300 162 T C 0.384 175.042 174.700 -0.070 0.000 0.989 162 T CA -0.124 61.957 62.100 -0.032 0.000 1.139 162 T CB 0.663 69.518 68.868 -0.022 0.000 0.920 162 T HN 0.260 nan 8.240 nan 0.000 0.537 163 K N 1.961 122.300 120.400 -0.101 0.000 2.098 163 K HA 0.660 4.980 4.320 -0.000 0.000 0.258 163 K C -0.815 175.576 176.600 -0.349 0.000 0.973 163 K CA -0.807 55.333 56.287 -0.246 0.000 0.898 163 K CB 1.501 33.821 32.500 -0.301 0.000 1.057 163 K HN 0.300 nan 8.250 nan 0.000 0.447 164 V N 2.508 122.141 119.914 -0.468 0.000 2.638 164 V HA 0.352 4.472 4.120 -0.000 0.000 0.306 164 V C -1.425 174.398 176.094 -0.451 0.000 1.052 164 V CA -1.113 60.983 62.300 -0.341 0.000 0.885 164 V CB 1.031 32.776 31.823 -0.130 0.000 0.999 164 V HN 0.601 nan 8.190 nan 0.000 0.424 165 Y N 2.562 122.903 120.300 0.069 0.000 2.341 165 Y HA 0.689 5.239 4.550 -0.000 0.000 0.338 165 Y C 0.178 176.113 175.900 0.059 0.000 0.965 165 Y CA -0.669 57.489 58.100 0.096 0.000 1.108 165 Y CB 1.671 40.221 38.460 0.148 0.000 1.180 165 Y HN 0.713 nan 8.280 nan 0.000 0.458 166 N N 0.947 119.746 118.700 0.165 0.000 2.469 166 N HA 0.388 5.128 4.740 -0.000 0.000 0.286 166 N C -1.564 173.974 175.510 0.046 0.000 1.275 166 N CA -1.232 51.871 53.050 0.088 0.000 0.790 166 N CB 0.921 39.437 38.487 0.049 0.000 1.446 166 N HN 0.447 nan 8.380 nan 0.000 0.501 167 N N 0.576 119.290 118.700 0.025 0.000 2.455 167 N HA 0.099 4.839 4.740 -0.000 0.000 0.280 167 N C -1.314 174.191 175.510 -0.008 0.000 1.055 167 N CA -0.089 52.958 53.050 -0.005 0.000 0.961 167 N CB 1.012 39.504 38.487 0.008 0.000 1.121 167 N HN 0.521 nan 8.380 nan 0.000 0.476 168 D N 3.766 124.149 120.400 -0.028 0.000 2.499 168 D HA 0.155 4.795 4.640 -0.000 0.000 0.225 168 D C 1.375 177.665 176.300 -0.016 0.000 1.124 168 D CA -0.359 53.629 54.000 -0.021 0.000 0.938 168 D CB 0.488 41.270 40.800 -0.031 0.000 1.014 168 D HN 0.439 nan 8.370 nan 0.000 0.517 169 L N 1.887 123.108 121.223 -0.003 0.000 2.079 169 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 169 L C 2.396 179.268 176.870 0.004 0.000 1.081 169 L CA 1.557 56.400 54.840 0.005 0.000 0.752 169 L CB -0.638 41.428 42.059 0.011 0.000 0.896 169 L HN 0.404 nan 8.230 nan 0.000 0.433 170 T N -2.788 111.766 114.554 -0.000 0.000 3.113 170 T HA 0.301 4.651 4.350 -0.000 0.000 0.256 170 T C 0.848 175.543 174.700 -0.008 0.000 1.131 170 T CA 0.200 62.299 62.100 -0.001 0.000 1.074 170 T CB -0.155 68.712 68.868 -0.001 0.000 0.944 170 T HN 0.223 nan 8.240 nan 0.000 0.516 171 A N 1.308 124.118 122.820 -0.016 0.000 2.386 171 A HA 0.617 4.937 4.320 -0.000 0.000 0.248 171 A C 0.360 177.931 177.584 -0.023 0.000 1.082 171 A CA -0.535 51.486 52.037 -0.026 0.000 0.789 171 A CB 0.336 19.313 19.000 -0.038 0.000 1.025 171 A HN 0.450 nan 8.150 nan 0.000 0.490 172 S N -0.440 115.241 115.700 -0.031 0.000 2.607 172 S HA 0.614 5.084 4.470 -0.000 0.000 0.303 172 S C -0.927 173.646 174.600 -0.046 0.000 1.086 172 S CA -0.515 57.669 58.200 -0.027 0.000 0.995 172 S CB 1.483 64.671 63.200 -0.020 0.000 1.084 172 S HN 0.861 nan 8.310 nan 0.000 0.507 173 L N 2.424 123.619 121.223 -0.046 0.000 2.305 173 L HA 0.590 4.930 4.340 -0.000 0.000 0.284 173 L C -0.887 175.936 176.870 -0.078 0.000 1.013 173 L CA -0.345 54.446 54.840 -0.081 0.000 0.819 173 L CB 0.797 42.790 42.059 -0.110 0.000 1.227 173 L HN 0.670 nan 8.230 nan 0.000 0.417 174 M N 5.413 124.962 119.600 -0.084 0.000 2.180 174 M HA 0.471 4.951 4.480 -0.000 0.000 0.358 174 M C -0.857 175.487 176.300 0.074 0.000 1.233 174 M CA -0.480 54.821 55.300 0.001 0.000 1.114 174 M CB 1.390 33.970 32.600 -0.033 0.000 1.594 174 M HN 0.376 nan 8.290 nan 0.000 0.467 175 V N 2.439 122.377 119.914 0.041 0.000 2.656 175 V HA 0.873 4.993 4.120 -0.000 0.000 0.307 175 V C -0.511 175.516 176.094 -0.113 0.000 1.051 175 V CA -0.787 61.443 62.300 -0.117 0.000 0.893 175 V CB 1.855 33.373 31.823 -0.507 0.000 0.999 175 V HN 0.945 nan 8.190 nan 0.000 0.426 176 A N 4.753 127.506 122.820 -0.113 0.000 2.408 176 A HA 0.791 5.111 4.320 -0.000 0.000 0.295 176 A C -1.318 176.203 177.584 -0.105 0.000 1.040 176 A CA -0.407 51.555 52.037 -0.126 0.000 0.707 176 A CB 1.501 20.354 19.000 -0.244 0.000 1.235 176 A HN 0.827 nan 8.150 nan 0.000 0.418 177 L N 2.813 123.998 121.223 -0.064 0.000 2.318 177 L HA 0.364 4.704 4.340 -0.000 0.000 0.277 177 L C -0.673 176.211 176.870 0.023 0.000 1.008 177 L CA -0.492 54.352 54.840 0.006 0.000 0.846 177 L CB 1.199 43.354 42.059 0.160 0.000 1.220 177 L HN 0.890 nan 8.230 nan 0.000 0.423 178 D N 2.258 122.667 120.400 0.015 0.000 2.597 178 D HA 0.026 4.666 4.640 -0.000 0.000 0.228 178 D C 1.096 177.409 176.300 0.022 0.000 1.120 178 D CA 0.243 54.260 54.000 0.029 0.000 1.083 178 D CB 0.721 41.572 40.800 0.085 0.000 1.116 178 D HN 0.446 nan 8.370 nan 0.000 0.487 179 S N 1.919 117.637 115.700 0.030 0.000 2.383 179 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 179 S C 1.367 175.990 174.600 0.039 0.000 1.030 179 S CA 0.891 59.112 58.200 0.036 0.000 1.002 179 S CB -0.185 63.042 63.200 0.046 0.000 0.829 179 S HN 0.633 nan 8.310 nan 0.000 0.467 180 N N 1.204 119.923 118.700 0.032 0.000 2.383 180 N HA 0.122 4.862 4.740 -0.000 0.000 0.192 180 N C -0.626 174.900 175.510 0.027 0.000 1.141 180 N CA -0.184 52.884 53.050 0.031 0.000 0.851 180 N CB 0.053 38.554 38.487 0.024 0.000 0.976 180 N HN 0.180 nan 8.380 nan 0.000 0.465 181 N N 0.687 119.405 118.700 0.029 0.000 2.714 181 N HA -0.141 4.599 4.740 -0.000 0.000 0.253 181 N C 0.205 175.716 175.510 0.003 0.000 1.024 181 N CA 0.672 53.744 53.050 0.037 0.000 0.726 181 N CB -0.973 37.539 38.487 0.042 0.000 0.908 181 N HN 0.308 nan 8.380 nan 0.000 0.542 182 T N -0.845 113.692 114.554 -0.029 0.000 2.851 182 T HA 0.035 4.385 4.350 -0.000 0.000 0.262 182 T C 1.288 175.844 174.700 -0.241 0.000 1.043 182 T CA 0.486 62.543 62.100 -0.071 0.000 1.140 182 T CB 0.195 69.035 68.868 -0.046 0.000 0.872 182 T HN 0.191 nan 8.240 nan 0.000 0.446 183 M N 1.562 121.023 119.600 -0.231 0.000 2.226 183 M HA 0.255 4.735 4.480 -0.000 0.000 0.324 183 M C -2.446 173.727 176.300 -0.212 0.000 1.112 183 M CA -2.437 52.651 55.300 -0.353 0.000 1.176 183 M CB 0.107 32.599 32.600 -0.180 0.000 1.430 183 M HN -0.155 nan 8.290 nan 0.000 0.462 184 P HA 0.044 nan 4.420 nan 0.000 0.271 184 P C -1.110 176.377 177.300 0.312 0.000 1.216 184 P CA -0.108 63.012 63.100 0.034 0.000 0.771 184 P CB 0.124 31.837 31.700 0.021 0.000 0.864 185 F N 3.814 123.857 119.950 0.155 0.000 2.506 185 F HA 0.247 4.774 4.527 -0.000 0.000 0.371 185 F C 0.564 176.511 175.800 0.244 0.000 1.078 185 F CA 0.424 58.541 58.000 0.194 0.000 1.195 185 F CB 0.174 39.276 39.000 0.169 0.000 1.099 185 F HN 0.196 nan 8.300 nan 0.000 0.548 186 T N 5.485 119.903 114.554 -0.226 0.000 3.410 186 T HA 0.347 4.697 4.350 -0.000 0.000 0.328 186 T C -2.855 171.677 174.700 -0.280 0.000 1.567 186 T CA -1.802 60.243 62.100 -0.093 0.000 1.626 186 T CB 0.269 69.284 68.868 0.246 0.000 0.939 186 T HN 0.366 nan 8.240 nan 0.000 0.656 187 P HA 0.200 nan 4.420 nan 0.000 0.263 187 P C 0.983 178.183 177.300 -0.166 0.000 1.195 187 P CA -0.093 62.787 63.100 -0.367 0.000 0.762 187 P CB 0.927 32.476 31.700 -0.252 0.000 0.799 188 A N 4.452 127.181 122.820 -0.151 0.000 2.014 188 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 188 A C 2.219 179.744 177.584 -0.099 0.000 1.163 188 A CA 1.339 53.321 52.037 -0.092 0.000 0.652 188 A CB -1.046 17.904 19.000 -0.083 0.000 0.808 188 A HN 0.550 nan 8.150 nan 0.000 0.449 189 A N -0.272 122.476 122.820 -0.119 0.000 1.986 189 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 189 A C 2.154 179.723 177.584 -0.026 0.000 1.171 189 A CA 1.836 53.820 52.037 -0.089 0.000 0.640 189 A CB -0.596 18.359 19.000 -0.074 0.000 0.811 189 A HN 0.614 nan 8.150 nan 0.000 0.451 190 M N -0.899 118.688 119.600 -0.021 0.000 2.346 190 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 190 M C 0.867 177.160 176.300 -0.012 0.000 1.064 190 M CA 1.472 56.769 55.300 -0.004 0.000 1.083 190 M CB -0.016 32.590 32.600 0.010 0.000 1.399 190 M HN 0.343 nan 8.290 nan 0.000 0.435 191 R N -0.894 119.595 120.500 -0.019 0.000 2.629 191 R HA 0.167 4.507 4.340 -0.000 0.000 0.408 191 R C 0.444 176.738 176.300 -0.011 0.000 1.057 191 R CA 0.159 56.252 56.100 -0.011 0.000 1.119 191 R CB 0.398 30.691 30.300 -0.011 0.000 1.403 191 R HN 0.323 nan 8.270 nan 0.000 0.576 192 S N 1.704 117.378 115.700 -0.043 0.000 3.524 192 S HA -0.183 4.287 4.470 -0.000 0.000 0.377 192 S C 0.157 174.681 174.600 -0.128 0.000 0.949 192 S CA 0.933 59.053 58.200 -0.134 0.000 1.264 192 S CB -0.854 62.371 63.200 0.040 0.000 0.918 192 S HN 0.616 nan 8.310 nan 0.000 0.517 193 E N 0.771 120.891 120.200 -0.134 0.000 3.105 193 E HA 0.120 4.470 4.350 -0.000 0.000 0.198 193 E C 0.697 177.269 176.600 -0.046 0.000 0.976 193 E CA 0.268 56.660 56.400 -0.013 0.000 1.219 193 E CB 0.812 30.516 29.700 0.006 0.000 1.081 193 E HN 0.790 nan 8.360 nan 0.000 0.464 194 T N -1.873 112.584 114.554 -0.162 0.000 2.833 194 T HA 0.340 4.690 4.350 -0.000 0.000 0.292 194 T C 0.539 175.248 174.700 0.016 0.000 1.031 194 T CA -0.799 61.237 62.100 -0.108 0.000 0.937 194 T CB 0.863 69.654 68.868 -0.129 0.000 1.256 194 T HN -0.154 nan 8.240 nan 0.000 0.551 195 L N 1.052 122.230 121.223 -0.076 0.000 2.474 195 L HA 0.470 4.810 4.340 -0.000 0.000 0.259 195 L C 1.537 178.428 176.870 0.034 0.000 1.232 195 L CA 0.538 55.310 54.840 -0.113 0.000 0.821 195 L CB -0.538 41.321 42.059 -0.334 0.000 1.108 195 L HN 1.060 nan 8.230 nan 0.000 0.495 196 G N -0.106 108.652 108.800 -0.069 0.000 2.684 196 G HA2 0.147 4.107 3.960 -0.000 0.000 0.255 196 G HA3 0.147 4.107 3.960 -0.000 0.000 0.255 196 G C 0.059 175.033 174.900 0.124 0.000 1.219 196 G CA -0.280 44.742 45.100 -0.129 0.000 0.901 196 G HN 0.433 nan 8.290 nan 0.000 0.548 197 F N -0.924 118.843 119.950 -0.306 0.000 2.653 197 F HA 0.342 4.869 4.527 -0.000 0.000 0.304 197 F C -0.316 175.083 175.800 -0.667 0.000 1.092 197 F CA -1.132 56.580 58.000 -0.478 0.000 1.279 197 F CB -0.437 38.209 39.000 -0.590 0.000 1.044 197 F HN 0.176 nan 8.300 nan 0.000 0.564 198 Y N 0.287 120.512 120.300 -0.125 0.000 2.331 198 Y HA 0.387 4.937 4.550 -0.000 0.000 0.334 198 Y C -1.700 173.986 175.900 -0.357 0.000 0.960 198 Y CA -2.758 55.053 58.100 -0.482 0.000 1.130 198 Y CB 1.006 38.956 38.460 -0.849 0.000 1.164 198 Y HN -0.192 nan 8.280 nan 0.000 0.458 199 P HA -0.157 nan 4.420 nan 0.000 0.218 199 P C 0.554 178.131 177.300 0.462 0.000 1.148 199 P CA 1.627 64.934 63.100 0.344 0.000 0.822 199 P CB 0.005 32.045 31.700 0.567 0.000 0.784 200 W N -0.806 120.671 121.300 0.295 0.000 3.330 200 W HA 0.395 5.054 4.660 -0.000 0.000 0.348 200 W C 0.090 176.680 176.519 0.118 0.000 1.205 200 W CA -0.576 56.881 57.345 0.186 0.000 1.841 200 W CB -0.379 29.157 29.460 0.127 0.000 1.084 200 W HN -0.215 nan 8.180 nan 0.000 0.665 201 K N 2.299 122.658 120.400 -0.069 0.000 2.483 201 K HA 0.364 4.684 4.320 -0.000 0.000 0.256 201 K C -2.531 174.031 176.600 -0.062 0.000 0.961 201 K CA -2.080 54.153 56.287 -0.091 0.000 0.873 201 K CB 1.292 33.669 32.500 -0.204 0.000 1.107 201 K HN -0.281 nan 8.250 nan 0.000 0.432 202 P HA -0.050 nan 4.420 nan 0.000 0.267 202 P C -0.661 176.554 177.300 -0.142 0.000 1.195 202 P CA -0.034 62.984 63.100 -0.136 0.000 0.773 202 P CB 0.929 32.533 31.700 -0.159 0.000 0.837 203 T N 0.633 115.089 114.554 -0.163 0.000 2.669 203 T HA 0.806 5.155 4.350 -0.000 0.000 0.283 203 T C -1.119 173.492 174.700 -0.147 0.000 1.019 203 T CA -0.805 61.202 62.100 -0.156 0.000 1.039 203 T CB 0.522 69.298 68.868 -0.153 0.000 1.374 203 T HN 0.351 nan 8.240 nan 0.000 0.523 204 I N -0.365 120.132 120.570 -0.121 0.000 3.006 204 I HA 0.753 4.923 4.170 -0.000 0.000 0.306 204 I C -2.967 173.114 176.117 -0.058 0.000 1.250 204 I CA -2.707 58.550 61.300 -0.073 0.000 0.996 204 I CB 2.553 40.543 38.000 -0.016 0.000 1.261 204 I HN 0.420 nan 8.210 nan 0.000 0.442 205 P HA 0.335 nan 4.420 nan 0.000 0.281 205 P C -0.816 176.518 177.300 0.056 0.000 1.281 205 P CA -0.169 62.946 63.100 0.025 0.000 0.811 205 P CB 1.409 33.171 31.700 0.104 0.000 1.154 206 T N -3.669 110.936 114.554 0.086 0.000 2.888 206 T HA 0.487 4.837 4.350 -0.000 0.000 0.284 206 T C -2.777 172.031 174.700 0.180 0.000 1.017 206 T CA -2.709 59.455 62.100 0.107 0.000 1.022 206 T CB 0.595 69.517 68.868 0.090 0.000 1.013 206 T HN 0.118 nan 8.240 nan 0.000 0.465 207 P HA 0.075 nan 4.420 nan 0.000 0.260 207 P C -0.949 176.501 177.300 0.250 0.000 1.207 207 P CA -0.281 62.923 63.100 0.173 0.000 0.780 207 P CB 0.078 31.827 31.700 0.082 0.000 0.789 208 W N 7.313 128.713 121.300 0.165 0.000 2.216 208 W HA 0.272 4.931 4.660 -0.000 0.000 0.326 208 W C 0.291 176.904 176.519 0.157 0.000 1.319 208 W CA 0.256 57.724 57.345 0.206 0.000 1.213 208 W CB 0.462 30.122 29.460 0.334 0.000 1.171 208 W HN 0.328 nan 8.180 nan 0.000 0.557 209 R N 5.598 125.715 120.500 -0.639 0.000 2.663 209 R HA 0.439 4.779 4.340 -0.000 0.000 0.267 209 R C -2.160 173.715 176.300 -0.709 0.000 1.038 209 R CA -0.806 54.907 56.100 -0.645 0.000 0.886 209 R CB 0.982 31.079 30.300 -0.340 0.000 1.249 209 R HN 0.684 nan 8.270 nan 0.000 0.463 210 Y N -1.377 118.579 120.300 -0.573 0.000 2.588 210 Y HA 0.617 5.167 4.550 -0.000 0.000 0.343 210 Y C -1.120 174.716 175.900 -0.107 0.000 1.065 210 Y CA -1.698 56.184 58.100 -0.363 0.000 1.038 210 Y CB 0.709 39.008 38.460 -0.267 0.000 1.297 210 Y HN 0.419 nan 8.280 nan 0.000 0.467 211 Y N 1.929 122.415 120.300 0.310 0.000 2.578 211 Y HA 0.245 4.795 4.550 -0.000 0.000 0.339 211 Y C -0.370 175.825 175.900 0.492 0.000 1.231 211 Y CA -0.015 58.310 58.100 0.375 0.000 1.461 211 Y CB 0.291 38.981 38.460 0.384 0.000 1.323 211 Y HN 0.640 nan 8.280 nan 0.000 0.590 212 F N 3.289 123.551 119.950 0.521 0.000 2.529 212 F HA 0.296 4.823 4.527 -0.000 0.000 0.320 212 F C -0.282 175.830 175.800 0.520 0.000 1.118 212 F CA -1.177 57.066 58.000 0.405 0.000 0.915 212 F CB 1.098 40.228 39.000 0.218 0.000 1.161 212 F HN 0.366 nan 8.300 nan 0.000 0.445 213 Q N 5.181 125.004 119.800 0.038 0.000 2.304 213 Q HA 0.086 4.426 4.340 -0.000 0.000 0.301 213 Q C -1.411 174.831 176.000 0.404 0.000 1.063 213 Q CA 0.683 56.535 55.803 0.083 0.000 0.947 213 Q CB 0.670 29.302 28.738 -0.176 0.000 1.201 213 Q HN 0.757 nan 8.270 nan 0.000 0.389 214 W N 3.081 124.458 121.300 0.129 0.000 3.363 214 W HA 0.445 5.105 4.660 -0.000 0.000 0.306 214 W C -1.792 174.752 176.519 0.042 0.000 1.253 214 W CA -0.869 56.554 57.345 0.131 0.000 1.195 214 W CB 0.709 30.355 29.460 0.310 0.000 1.366 214 W HN 0.327 nan 8.180 nan 0.000 0.551 215 D N 3.280 123.668 120.400 -0.020 0.000 2.175 215 D HA 0.488 5.128 4.640 -0.000 0.000 0.248 215 D C -0.582 175.827 176.300 0.182 0.000 1.047 215 D CA -0.384 53.572 54.000 -0.075 0.000 0.883 215 D CB 1.705 42.450 40.800 -0.092 0.000 1.180 215 D HN 0.404 nan 8.370 nan 0.000 0.438 216 R N 0.970 121.604 120.500 0.224 0.000 2.566 216 R HA 0.387 4.727 4.340 -0.000 0.000 0.271 216 R C -1.741 174.739 176.300 0.299 0.000 1.071 216 R CA -0.442 55.895 56.100 0.394 0.000 0.915 216 R CB 1.637 32.282 30.300 0.576 0.000 1.228 216 R HN 0.395 nan 8.270 nan 0.000 0.449 217 T N 4.198 118.944 114.554 0.320 0.000 2.824 217 T HA 0.575 4.925 4.350 -0.000 0.000 0.282 217 T C -1.200 173.588 174.700 0.145 0.000 0.993 217 T CA -0.557 61.682 62.100 0.231 0.000 0.967 217 T CB 1.266 70.328 68.868 0.324 0.000 0.960 217 T HN 0.406 nan 8.240 nan 0.000 0.441 218 L N 4.200 125.483 121.223 0.100 0.000 2.516 218 L HA 0.624 4.964 4.340 -0.000 0.000 0.267 218 L C -1.585 175.303 176.870 0.029 0.000 0.957 218 L CA -0.566 54.310 54.840 0.061 0.000 0.860 218 L CB 1.167 43.263 42.059 0.062 0.000 1.265 218 L HN 0.674 nan 8.230 nan 0.000 0.403 219 I N 6.487 127.064 120.570 0.012 0.000 2.353 219 I HA 0.403 4.572 4.170 -0.000 0.000 0.293 219 I C -1.816 174.284 176.117 -0.028 0.000 0.992 219 I CA -1.795 59.502 61.300 -0.005 0.000 1.268 219 I CB 1.510 39.508 38.000 -0.004 0.000 1.387 219 I HN 0.514 nan 8.210 nan 0.000 0.478 220 P HA 0.082 nan 4.420 nan 0.000 0.269 220 P C -1.017 176.246 177.300 -0.061 0.000 1.217 220 P CA 0.011 63.081 63.100 -0.051 0.000 0.783 220 P CB 0.575 32.254 31.700 -0.035 0.000 0.898 221 S N -0.683 114.972 115.700 -0.075 0.000 2.578 221 S HA 0.588 5.058 4.470 -0.000 0.000 0.272 221 S C -1.255 173.290 174.600 -0.092 0.000 1.145 221 S CA -0.993 57.125 58.200 -0.137 0.000 0.835 221 S CB 0.838 63.951 63.200 -0.144 0.000 1.104 221 S HN 0.707 nan 8.310 nan 0.000 0.458 222 H N -1.887 117.166 119.070 -0.028 0.000 2.737 222 H HA 0.719 5.275 4.556 -0.000 0.000 0.358 222 H C 1.357 176.671 175.328 -0.023 0.000 1.187 222 H CA -0.175 55.856 56.048 -0.028 0.000 1.221 222 H CB 0.276 30.026 29.762 -0.021 0.000 1.799 222 H HN 0.522 nan 8.280 nan 0.000 0.568 223 T N -0.113 114.560 114.554 0.199 0.000 2.714 223 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 223 T C 1.578 176.360 174.700 0.135 0.000 1.036 223 T CA 2.164 64.335 62.100 0.119 0.000 1.148 223 T CB -1.029 67.891 68.868 0.087 0.000 0.856 223 T HN 0.872 nan 8.240 nan 0.000 0.462 224 G N 0.582 109.590 108.800 0.346 0.000 3.605 224 G HA2 0.300 4.260 3.960 -0.000 0.000 0.277 224 G HA3 0.300 4.260 3.960 -0.000 0.000 0.277 224 G C 0.201 175.143 174.900 0.069 0.000 1.093 224 G CA -0.255 44.972 45.100 0.212 0.000 0.821 224 G HN 0.443 nan 8.290 nan 0.000 0.532 225 T N 1.629 116.020 114.554 -0.272 0.000 2.901 225 T HA 0.363 4.713 4.350 -0.000 0.000 0.301 225 T C 0.809 175.432 174.700 -0.128 0.000 1.012 225 T CA -0.013 61.879 62.100 -0.348 0.000 1.135 225 T CB 1.248 69.840 68.868 -0.461 0.000 0.936 225 T HN 0.353 nan 8.240 nan 0.000 0.539 226 S N 2.122 117.774 115.700 -0.079 0.000 2.525 226 S HA 0.742 5.212 4.470 -0.000 0.000 0.278 226 S C 0.703 175.277 174.600 -0.044 0.000 1.234 226 S CA -0.110 58.065 58.200 -0.041 0.000 1.058 226 S CB 0.954 64.145 63.200 -0.016 0.000 0.983 226 S HN 1.416 nan 8.310 nan 0.000 0.495 227 G N 1.781 110.561 108.800 -0.033 0.000 2.587 227 G HA2 0.051 4.011 3.960 -0.000 0.000 0.212 227 G HA3 0.051 4.011 3.960 -0.000 0.000 0.212 227 G C -0.345 174.534 174.900 -0.035 0.000 1.327 227 G CA -0.404 44.679 45.100 -0.029 0.000 0.898 227 G HN 1.941 nan 8.290 nan 0.000 0.551 228 T N 0.088 114.624 114.554 -0.030 0.000 2.892 228 T HA 0.644 4.994 4.350 -0.000 0.000 0.311 228 T C -2.388 172.296 174.700 -0.028 0.000 1.033 228 T CA -0.929 61.153 62.100 -0.030 0.000 0.991 228 T CB 1.634 70.488 68.868 -0.022 0.000 0.981 228 T HN 0.595 nan 8.240 nan 0.000 0.457 229 P HA 0.198 nan 4.420 nan 0.000 0.265 229 P C 0.073 177.364 177.300 -0.015 0.000 1.193 229 P CA -0.156 62.925 63.100 -0.031 0.000 0.765 229 P CB 0.205 31.878 31.700 -0.044 0.000 0.823 230 T N 3.597 118.149 114.554 -0.004 0.000 2.831 230 T HA 0.036 4.386 4.350 -0.000 0.000 0.291 230 T C 0.376 175.085 174.700 0.014 0.000 0.981 230 T CA 0.373 62.478 62.100 0.009 0.000 1.174 230 T CB -0.519 68.365 68.868 0.026 0.000 0.929 230 T HN 0.374 nan 8.240 nan 0.000 0.532 231 N N 4.442 123.146 118.700 0.007 0.000 2.577 231 N HA 0.377 5.117 4.740 -0.000 0.000 0.275 231 N C -1.323 174.187 175.510 0.000 0.000 1.091 231 N CA -0.406 52.653 53.050 0.015 0.000 0.843 231 N CB 0.640 39.130 38.487 0.005 0.000 1.295 231 N HN 0.547 nan 8.380 nan 0.000 0.530 232 I N 2.084 122.650 120.570 -0.007 0.000 2.802 232 I HA 0.290 4.460 4.170 -0.000 0.000 0.298 232 I C -1.332 174.751 176.117 -0.056 0.000 1.176 232 I CA -1.081 60.155 61.300 -0.106 0.000 1.025 232 I CB 2.504 40.290 38.000 -0.357 0.000 1.243 232 I HN 0.358 nan 8.210 nan 0.000 0.424 233 Y N 3.703 123.915 120.300 -0.147 0.000 2.478 233 Y HA 0.388 4.938 4.550 -0.000 0.000 0.329 233 Y C 0.433 176.301 175.900 -0.054 0.000 0.967 233 Y CA -0.231 57.867 58.100 -0.005 0.000 1.255 233 Y CB 0.475 38.947 38.460 0.020 0.000 1.103 233 Y HN 0.552 nan 8.280 nan 0.000 0.497 234 H N 3.357 122.250 119.070 -0.294 0.000 2.363 234 H HA 0.282 4.838 4.556 -0.000 0.000 0.301 234 H C 1.426 176.532 175.328 -0.369 0.000 1.074 234 H CA 1.305 57.205 56.048 -0.247 0.000 1.354 234 H CB 0.158 29.840 29.762 -0.135 0.000 1.397 234 H HN 0.894 nan 8.280 nan 0.000 0.516 235 G N -1.227 107.259 108.800 -0.523 0.000 2.233 235 G HA2 0.002 3.962 3.960 -0.000 0.000 0.162 235 G HA3 0.002 3.962 3.960 -0.000 0.000 0.162 235 G C -0.953 173.921 174.900 -0.043 0.000 1.327 235 G CA -0.255 44.663 45.100 -0.302 0.000 1.187 235 G HN 0.230 nan 8.290 nan 0.000 0.479 236 T N 0.968 115.565 114.554 0.071 0.000 2.886 236 T HA 0.564 4.914 4.350 -0.000 0.000 0.292 236 T C -1.598 173.134 174.700 0.052 0.000 1.012 236 T CA -0.342 61.834 62.100 0.127 0.000 0.982 236 T CB 2.025 71.058 68.868 0.275 0.000 1.018 236 T HN 0.574 nan 8.240 nan 0.000 0.451 237 D N 3.725 124.128 120.400 0.006 0.000 2.339 237 D HA 0.240 4.880 4.640 -0.000 0.000 0.241 237 D C -1.032 175.256 176.300 -0.019 0.000 1.183 237 D CA -2.331 51.655 54.000 -0.022 0.000 0.859 237 D CB 1.416 42.182 40.800 -0.057 0.000 1.067 237 D HN 0.103 nan 8.370 nan 0.000 0.484 238 P HA -0.161 nan 4.420 nan 0.000 0.218 238 P C 0.406 177.692 177.300 -0.022 0.000 1.146 238 P CA 0.903 64.006 63.100 0.006 0.000 0.813 238 P CB 0.449 32.160 31.700 0.018 0.000 0.778 239 D N -0.016 120.366 120.400 -0.030 0.000 2.350 239 D HA -0.090 4.550 4.640 -0.000 0.000 0.216 239 D C 0.699 176.964 176.300 -0.058 0.000 0.968 239 D CA 0.943 54.920 54.000 -0.038 0.000 0.894 239 D CB -0.226 40.553 40.800 -0.034 0.000 0.909 239 D HN 0.295 nan 8.370 nan 0.000 0.520 240 D N -0.033 120.318 120.400 -0.082 0.000 2.469 240 D HA 0.060 4.700 4.640 -0.000 0.000 0.215 240 D C 0.192 176.381 176.300 -0.186 0.000 1.154 240 D CA -0.093 53.837 54.000 -0.115 0.000 0.832 240 D CB 1.256 41.983 40.800 -0.121 0.000 1.008 240 D HN -0.045 nan 8.370 nan 0.000 0.506 241 V N 1.658 121.464 119.914 -0.180 0.000 2.479 241 V HA 0.068 4.188 4.120 -0.000 0.000 0.281 241 V C 0.352 176.317 176.094 -0.216 0.000 1.031 241 V CA 0.410 62.544 62.300 -0.276 0.000 1.038 241 V CB 0.746 32.521 31.823 -0.080 0.000 0.981 241 V HN 0.006 nan 8.190 nan 0.000 0.478 242 Q N 4.559 124.181 119.800 -0.296 0.000 2.695 242 Q HA 0.318 4.658 4.340 -0.000 0.000 0.246 242 Q C -1.251 174.699 176.000 -0.084 0.000 0.961 242 Q CA -0.482 55.162 55.803 -0.265 0.000 0.708 242 Q CB 1.839 30.382 28.738 -0.325 0.000 1.282 242 Q HN 0.718 nan 8.270 nan 0.000 0.482 243 F N 3.598 123.479 119.950 -0.115 0.000 2.335 243 F HA 0.378 4.905 4.527 -0.000 0.000 0.365 243 F C -1.418 174.356 175.800 -0.043 0.000 1.122 243 F CA -0.991 57.082 58.000 0.121 0.000 1.151 243 F CB 0.086 39.188 39.000 0.171 0.000 1.282 243 F HN 0.313 nan 8.300 nan 0.000 0.513 244 Y N 3.173 123.529 120.300 0.093 0.000 2.301 244 Y HA 0.502 5.052 4.550 -0.000 0.000 0.325 244 Y C 0.756 176.413 175.900 -0.406 0.000 1.203 244 Y CA -0.381 57.575 58.100 -0.239 0.000 1.255 244 Y CB 1.438 39.726 38.460 -0.287 0.000 1.232 244 Y HN 0.447 nan 8.280 nan 0.000 0.501 245 T N 3.610 118.007 114.554 -0.262 0.000 2.921 245 T HA 0.360 4.710 4.350 -0.000 0.000 0.297 245 T C 1.059 175.692 174.700 -0.111 0.000 1.013 245 T CA -0.545 61.351 62.100 -0.341 0.000 0.990 245 T CB 0.900 69.439 68.868 -0.547 0.000 1.023 245 T HN 0.624 nan 8.240 nan 0.000 0.447 246 I N 1.784 122.327 120.570 -0.045 0.000 2.202 246 I HA -0.122 4.048 4.170 -0.000 0.000 0.242 246 I C 2.178 178.189 176.117 -0.177 0.000 1.091 246 I CA 1.281 62.374 61.300 -0.346 0.000 1.368 246 I CB 0.044 37.417 38.000 -1.045 0.000 1.058 246 I HN 0.670 nan 8.210 nan 0.000 0.410 247 E N 0.964 121.189 120.200 0.043 0.000 2.130 247 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 247 E C 1.603 178.217 176.600 0.024 0.000 0.998 247 E CA 1.473 57.937 56.400 0.107 0.000 0.806 247 E CB -0.385 29.447 29.700 0.221 0.000 0.738 247 E HN 0.494 nan 8.360 nan 0.000 0.459 248 N N -1.137 117.549 118.700 -0.024 0.000 2.467 248 N HA 0.002 4.742 4.740 -0.000 0.000 0.184 248 N C 0.261 175.748 175.510 -0.040 0.000 1.106 248 N CA 0.819 53.845 53.050 -0.040 0.000 0.892 248 N CB 0.513 38.949 38.487 -0.084 0.000 0.969 248 N HN 0.095 nan 8.380 nan 0.000 0.454 249 S N -1.931 113.737 115.700 -0.054 0.000 2.911 249 S HA 0.292 4.762 4.470 -0.000 0.000 0.261 249 S C -0.321 174.250 174.600 -0.048 0.000 1.021 249 S CA -0.546 57.630 58.200 -0.040 0.000 1.222 249 S CB 0.379 63.563 63.200 -0.026 0.000 1.171 249 S HN -0.136 nan 8.310 nan 0.000 0.669 250 V N 3.439 123.314 119.914 -0.065 0.000 2.733 250 V HA 0.564 4.684 4.120 -0.000 0.000 0.306 250 V C -2.675 173.405 176.094 -0.023 0.000 1.084 250 V CA -1.864 60.402 62.300 -0.057 0.000 0.905 250 V CB 2.267 34.015 31.823 -0.125 0.000 1.010 250 V HN 0.178 nan 8.190 nan 0.000 0.424 251 P HA 0.302 nan 4.420 nan 0.000 0.276 251 P C -0.933 176.423 177.300 0.094 0.000 1.230 251 P CA -0.030 63.105 63.100 0.058 0.000 0.776 251 P CB 1.496 33.250 31.700 0.091 0.000 0.888 252 V N 4.126 124.091 119.914 0.086 0.000 2.459 252 V HA 0.244 4.364 4.120 -0.000 0.000 0.295 252 V C 0.022 176.178 176.094 0.102 0.000 1.029 252 V CA -0.553 61.827 62.300 0.134 0.000 0.874 252 V CB 0.916 32.852 31.823 0.188 0.000 0.985 252 V HN 0.562 nan 8.190 nan 0.000 0.438 253 H N 3.808 122.870 119.070 -0.012 0.000 2.467 253 H HA 0.628 5.184 4.556 -0.000 0.000 0.331 253 H C -0.409 174.914 175.328 -0.008 0.000 1.120 253 H CA -0.433 55.612 56.048 -0.005 0.000 1.270 253 H CB 1.271 31.017 29.762 -0.026 0.000 1.466 253 H HN 0.472 nan 8.280 nan 0.000 0.504 254 L N 4.321 125.590 121.223 0.078 0.000 2.295 254 L HA 0.388 4.728 4.340 -0.000 0.000 0.285 254 L C -0.641 176.266 176.870 0.061 0.000 1.035 254 L CA -0.513 54.355 54.840 0.045 0.000 0.806 254 L CB 0.961 43.031 42.059 0.017 0.000 1.214 254 L HN 0.348 nan 8.230 nan 0.000 0.426 255 L N 4.028 125.272 121.223 0.036 0.000 2.333 255 L HA 0.577 4.917 4.340 -0.000 0.000 0.280 255 L C -0.094 176.796 176.870 0.033 0.000 1.004 255 L CA -0.614 54.257 54.840 0.050 0.000 0.820 255 L CB 2.049 44.133 42.059 0.042 0.000 1.247 255 L HN 0.654 nan 8.230 nan 0.000 0.416 256 R N 0.525 121.053 120.500 0.046 0.000 2.700 256 R HA 0.423 4.763 4.340 -0.000 0.000 0.253 256 R C 1.028 177.361 176.300 0.056 0.000 1.091 256 R CA -0.642 55.480 56.100 0.037 0.000 1.104 256 R CB 1.326 31.645 30.300 0.032 0.000 1.202 256 R HN 0.605 nan 8.270 nan 0.000 0.532 257 T N 0.236 114.821 114.554 0.053 0.000 2.624 257 T HA -0.246 4.104 4.350 -0.000 0.000 0.266 257 T C 1.822 176.575 174.700 0.089 0.000 1.050 257 T CA 1.932 64.076 62.100 0.073 0.000 1.163 257 T CB -0.597 68.308 68.868 0.061 0.000 0.861 257 T HN 0.884 nan 8.240 nan 0.000 0.443 258 G N 1.764 110.608 108.800 0.074 0.000 2.559 258 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.216 258 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.216 258 G C 0.384 175.338 174.900 0.090 0.000 1.126 258 G CA 0.207 45.353 45.100 0.077 0.000 0.778 258 G HN 0.425 nan 8.290 nan 0.000 0.543 259 D N 0.243 120.702 120.400 0.098 0.000 2.348 259 D HA 0.369 5.009 4.640 -0.000 0.000 0.249 259 D C 0.184 176.574 176.300 0.150 0.000 1.110 259 D CA 0.032 54.101 54.000 0.115 0.000 0.967 259 D CB 1.468 42.336 40.800 0.113 0.000 1.139 259 D HN 0.347 nan 8.370 nan 0.000 0.466 260 E N 0.433 120.732 120.200 0.165 0.000 2.429 260 E HA 0.471 4.821 4.350 -0.000 0.000 0.276 260 E C -1.938 174.801 176.600 0.231 0.000 0.953 260 E CA -0.874 55.650 56.400 0.206 0.000 0.787 260 E CB 1.866 31.673 29.700 0.178 0.000 1.307 260 E HN 0.337 nan 8.360 nan 0.000 0.458 261 F N 0.802 120.785 119.950 0.056 0.000 2.574 261 F HA 0.731 5.258 4.527 -0.000 0.000 0.313 261 F C -1.849 173.936 175.800 -0.025 0.000 1.130 261 F CA -0.220 57.770 58.000 -0.018 0.000 0.936 261 F CB 1.968 40.935 39.000 -0.055 0.000 1.219 261 F HN 0.712 nan 8.300 nan 0.000 0.445 262 A N 4.258 126.507 122.820 -0.952 0.000 2.353 262 A HA 0.638 4.958 4.320 -0.000 0.000 0.299 262 A C -0.543 176.466 177.584 -0.957 0.000 1.089 262 A CA -0.597 50.995 52.037 -0.742 0.000 0.736 262 A CB 1.021 19.791 19.000 -0.382 0.000 1.195 262 A HN 0.726 nan 8.150 nan 0.000 0.447 263 T N 1.610 115.730 114.554 -0.723 0.000 2.802 263 T HA 0.452 4.802 4.350 -0.000 0.000 0.305 263 T C 1.266 175.765 174.700 -0.334 0.000 1.053 263 T CA 0.665 62.491 62.100 -0.457 0.000 1.058 263 T CB 0.966 69.686 68.868 -0.246 0.000 0.988 263 T HN 0.982 nan 8.240 nan 0.000 0.539 264 G N 0.607 109.266 108.800 -0.235 0.000 2.489 264 G HA2 0.411 4.371 3.960 -0.000 0.000 0.271 264 G HA3 0.411 4.371 3.960 -0.000 0.000 0.271 264 G C -0.329 174.439 174.900 -0.220 0.000 1.427 264 G CA -0.556 44.429 45.100 -0.192 0.000 1.057 264 G HN 0.648 nan 8.290 nan 0.000 0.532 265 T N 0.276 114.707 114.554 -0.204 0.000 2.806 265 T HA 0.404 4.754 4.350 -0.000 0.000 0.290 265 T C -1.031 173.452 174.700 -0.362 0.000 0.966 265 T CA 0.036 61.934 62.100 -0.336 0.000 1.060 265 T CB 1.015 69.646 68.868 -0.396 0.000 0.927 265 T HN 0.313 nan 8.240 nan 0.000 0.485 266 F N 3.646 123.227 119.950 -0.615 0.000 2.443 266 F HA 0.675 5.202 4.527 -0.000 0.000 0.335 266 F C -1.519 173.798 175.800 -0.805 0.000 1.104 266 F CA -1.776 55.887 58.000 -0.561 0.000 1.013 266 F CB 0.670 39.353 39.000 -0.529 0.000 1.136 266 F HN 0.437 nan 8.300 nan 0.000 0.470 267 F N 6.593 125.915 119.950 -1.046 0.000 2.427 267 F HA 0.457 4.984 4.527 -0.000 0.000 0.346 267 F C -0.366 174.933 175.800 -0.835 0.000 1.120 267 F CA -0.596 56.990 58.000 -0.690 0.000 1.033 267 F CB 0.849 39.581 39.000 -0.447 0.000 1.126 267 F HN 0.331 nan 8.300 nan 0.000 0.462 268 F N 1.867 121.742 119.950 -0.124 0.000 2.181 268 F HA 0.213 4.740 4.527 -0.000 0.000 0.285 268 F C 1.322 177.084 175.800 -0.064 0.000 1.134 268 F CA 0.257 58.231 58.000 -0.043 0.000 1.139 268 F CB 0.487 39.415 39.000 -0.119 0.000 1.614 268 F HN 0.555 nan 8.300 nan 0.000 0.519 269 D N -2.145 118.382 120.400 0.212 0.000 1.863 269 D HA -0.048 4.592 4.640 -0.000 0.000 0.459 269 D C 0.327 176.691 176.300 0.107 0.000 0.993 269 D CA 0.085 54.148 54.000 0.106 0.000 0.982 269 D CB -1.172 39.660 40.800 0.053 0.000 1.764 269 D HN 0.553 nan 8.370 nan 0.000 0.538 270 C N 3.039 122.415 119.300 0.127 0.000 2.591 270 C HA 0.097 4.557 4.460 -0.000 0.000 0.391 270 C C 1.042 176.108 174.990 0.127 0.000 1.324 270 C CA -1.047 58.048 59.018 0.127 0.000 1.675 270 C CB -0.775 27.068 27.740 0.173 0.000 2.600 270 C HN 0.256 nan 8.230 nan 0.000 0.609 271 K N 3.283 123.753 120.400 0.118 0.000 2.580 271 K HA 0.100 4.420 4.320 -0.000 0.000 0.278 271 K C -1.773 174.858 176.600 0.050 0.000 0.960 271 K CA 0.000 56.327 56.287 0.066 0.000 0.988 271 K CB -0.144 32.386 32.500 0.051 0.000 0.887 271 K HN 0.683 nan 8.250 nan 0.000 0.509 272 P HA 0.047 nan 4.420 nan 0.000 0.277 272 P C -0.576 176.717 177.300 -0.012 0.000 1.240 272 P CA -0.575 62.374 63.100 -0.253 0.000 0.798 272 P CB 0.929 32.281 31.700 -0.580 0.000 0.979 273 C N 4.465 123.812 119.300 0.078 0.000 2.350 273 C HA 0.456 4.915 4.460 -0.000 0.000 0.348 273 C C 0.465 175.463 174.990 0.013 0.000 1.260 273 C CA -0.616 58.357 59.018 -0.075 0.000 1.966 273 C CB -0.221 27.330 27.740 -0.315 0.000 2.380 273 C HN 0.530 nan 8.230 nan 0.000 0.535 274 R N 4.723 125.218 120.500 -0.008 0.000 2.428 274 R HA 0.420 4.760 4.340 -0.000 0.000 0.294 274 R C -0.174 176.123 176.300 -0.005 0.000 1.000 274 R CA -0.498 55.608 56.100 0.009 0.000 0.960 274 R CB 0.936 31.245 30.300 0.016 0.000 1.076 274 R HN 0.759 nan 8.270 nan 0.000 0.475 275 L N 2.096 123.302 121.223 -0.028 0.000 2.912 275 L HA 0.156 4.496 4.340 -0.000 0.000 0.240 275 L C 0.138 176.989 176.870 -0.031 0.000 1.262 275 L CA -0.124 54.681 54.840 -0.059 0.000 1.058 275 L CB 0.017 41.989 42.059 -0.144 0.000 1.383 275 L HN 0.764 nan 8.230 nan 0.000 0.512 276 T N -3.789 110.766 114.554 0.001 0.000 2.906 276 T HA 0.459 4.809 4.350 -0.000 0.000 0.295 276 T C -0.617 174.119 174.700 0.061 0.000 1.075 276 T CA -0.705 61.386 62.100 -0.015 0.000 1.005 276 T CB 2.239 71.073 68.868 -0.056 0.000 1.136 276 T HN 0.240 nan 8.240 nan 0.000 0.498 277 H N -0.076 119.038 119.070 0.074 0.000 2.622 277 H HA 0.670 5.226 4.556 -0.000 0.000 0.363 277 H C -0.449 174.950 175.328 0.118 0.000 1.151 277 H CA -0.769 55.346 56.048 0.112 0.000 1.184 277 H CB 1.692 31.553 29.762 0.165 0.000 1.643 277 H HN 0.902 nan 8.280 nan 0.000 0.531 278 T N 0.083 114.769 114.554 0.220 0.000 2.918 278 T HA 0.208 4.558 4.350 -0.000 0.000 0.283 278 T C 0.768 175.656 174.700 0.313 0.000 1.001 278 T CA -0.683 61.478 62.100 0.102 0.000 1.041 278 T CB 1.131 69.998 68.868 -0.002 0.000 1.028 278 T HN 0.953 nan 8.240 nan 0.000 0.511 279 W N 0.028 121.430 121.300 0.170 0.000 2.977 279 W HA 0.271 4.931 4.660 -0.000 0.000 0.236 279 W C -0.113 176.469 176.519 0.105 0.000 1.053 279 W CA -0.629 56.819 57.345 0.171 0.000 1.375 279 W CB -0.112 29.460 29.460 0.187 0.000 0.814 279 W HN 0.550 nan 8.180 nan 0.000 0.713 280 Q N 2.397 121.717 119.800 -0.800 0.000 2.361 280 Q HA 0.232 4.572 4.340 -0.000 0.000 0.276 280 Q C 0.060 175.960 176.000 -0.167 0.000 1.022 280 Q CA 1.008 56.396 55.803 -0.693 0.000 0.898 280 Q CB 1.584 29.805 28.738 -0.862 0.000 1.246 280 Q HN -0.114 nan 8.270 nan 0.000 0.410 281 T N -0.032 114.501 114.554 -0.036 0.000 2.905 281 T HA 0.183 4.533 4.350 -0.000 0.000 0.283 281 T C 0.976 175.666 174.700 -0.018 0.000 1.031 281 T CA -0.660 61.444 62.100 0.006 0.000 1.002 281 T CB 0.937 69.848 68.868 0.071 0.000 1.200 281 T HN 0.669 nan 8.240 nan 0.000 0.560 282 N N 0.390 119.081 118.700 -0.015 0.000 2.192 282 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 282 N C 1.618 177.126 175.510 -0.004 0.000 1.013 282 N CA 0.785 53.817 53.050 -0.031 0.000 0.863 282 N CB 0.022 38.493 38.487 -0.027 0.000 0.990 282 N HN 0.312 nan 8.380 nan 0.000 0.430 283 R N 0.615 121.135 120.500 0.034 0.000 2.285 283 R HA 0.036 4.376 4.340 -0.000 0.000 0.213 283 R C 0.632 176.981 176.300 0.082 0.000 1.068 283 R CA 0.196 56.333 56.100 0.061 0.000 1.004 283 R CB -0.058 30.291 30.300 0.083 0.000 0.873 283 R HN 0.139 nan 8.270 nan 0.000 0.467 284 A N 0.512 123.375 122.820 0.070 0.000 2.749 284 A HA 0.354 4.674 4.320 -0.000 0.000 0.299 284 A C -0.125 177.476 177.584 0.028 0.000 1.105 284 A CA -0.398 51.696 52.037 0.094 0.000 0.987 284 A CB 0.265 19.374 19.000 0.182 0.000 1.180 284 A HN 0.033 nan 8.150 nan 0.000 0.528 285 L N 0.650 121.890 121.223 0.029 0.000 2.298 285 L HA 0.666 5.006 4.340 -0.000 0.000 0.284 285 L C 0.840 177.806 176.870 0.160 0.000 1.013 285 L CA 0.029 54.902 54.840 0.055 0.000 0.824 285 L CB 1.226 43.203 42.059 -0.136 0.000 1.221 285 L HN 0.644 nan 8.230 nan 0.000 0.418 286 G N 2.521 111.515 108.800 0.323 0.000 2.582 286 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.222 286 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.222 286 G C -1.102 173.883 174.900 0.141 0.000 1.311 286 G CA -0.841 44.425 45.100 0.276 0.000 0.915 286 G HN 0.503 nan 8.290 nan 0.000 0.528 287 L N 2.285 123.574 121.223 0.111 0.000 2.433 287 L HA 0.574 4.914 4.340 -0.000 0.000 0.275 287 L C -1.227 175.701 176.870 0.097 0.000 1.128 287 L CA -0.907 53.986 54.840 0.087 0.000 0.875 287 L CB 0.015 42.116 42.059 0.069 0.000 1.171 287 L HN 0.536 nan 8.230 nan 0.000 0.463 288 P HA 0.252 nan 4.420 nan 0.000 0.272 288 P C -2.584 174.784 177.300 0.114 0.000 1.240 288 P CA -0.895 62.267 63.100 0.103 0.000 0.791 288 P CB -0.286 31.476 31.700 0.103 0.000 0.978 289 P HA 0.052 nan 4.420 nan 0.000 0.271 289 P C -0.799 176.595 177.300 0.157 0.000 1.216 289 P CA -0.155 63.017 63.100 0.120 0.000 0.776 289 P CB 0.345 32.095 31.700 0.084 0.000 0.881 290 F N 3.967 123.939 119.950 0.036 0.000 2.471 290 F HA 0.194 4.721 4.527 -0.000 0.000 0.365 290 F C -0.035 175.785 175.800 0.033 0.000 1.095 290 F CA -0.736 57.283 58.000 0.032 0.000 1.174 290 F CB -0.119 38.897 39.000 0.027 0.000 1.105 290 F HN 0.106 nan 8.300 nan 0.000 0.535 291 L N 7.281 128.144 121.223 -0.601 0.000 2.315 291 L HA 0.168 4.508 4.340 -0.000 0.000 0.283 291 L C 0.758 177.076 176.870 -0.919 0.000 1.089 291 L CA -0.130 54.380 54.840 -0.550 0.000 0.833 291 L CB 0.345 42.243 42.059 -0.269 0.000 1.170 291 L HN 0.637 nan 8.230 nan 0.000 0.442 292 N N 0.411 118.764 118.700 -0.579 0.000 2.463 292 N HA -0.055 4.685 4.740 -0.000 0.000 0.181 292 N C 0.126 175.515 175.510 -0.202 0.000 1.078 292 N CA 0.279 53.091 53.050 -0.396 0.000 0.902 292 N CB 0.395 38.789 38.487 -0.155 0.000 0.970 292 N HN 0.487 nan 8.380 nan 0.000 0.451 293 S N 0.190 115.787 115.700 -0.172 0.000 2.733 293 S HA 0.480 4.950 4.470 -0.000 0.000 0.294 293 S C -1.120 173.435 174.600 -0.074 0.000 1.149 293 S CA -0.752 57.395 58.200 -0.087 0.000 1.034 293 S CB 0.199 63.370 63.200 -0.048 0.000 1.015 293 S HN 0.022 nan 8.310 nan 0.000 0.486 294 L N 4.526 125.716 121.223 -0.055 0.000 2.352 294 L HA 0.598 4.938 4.340 -0.000 0.000 0.269 294 L C -1.976 174.882 176.870 -0.019 0.000 1.034 294 L CA -2.436 52.383 54.840 -0.034 0.000 0.806 294 L CB 1.120 43.163 42.059 -0.028 0.000 1.244 294 L HN 0.456 nan 8.230 nan 0.000 0.447 295 P HA 0.052 nan 4.420 nan 0.000 0.269 295 P C -0.333 176.953 177.300 -0.024 0.000 1.217 295 P CA -0.256 62.831 63.100 -0.022 0.000 0.783 295 P CB 0.557 32.241 31.700 -0.027 0.000 0.898 296 Q N -0.502 119.280 119.800 -0.029 0.000 2.245 296 Q HA 0.172 4.512 4.340 -0.000 0.000 0.236 296 Q C -0.173 175.810 176.000 -0.029 0.000 0.842 296 Q CA 0.481 56.269 55.803 -0.025 0.000 0.945 296 Q CB 0.555 29.280 28.738 -0.021 0.000 1.122 296 Q HN 0.613 nan 8.270 nan 0.000 0.506 297 S N -0.689 114.988 115.700 -0.039 0.000 2.537 297 S HA 0.427 4.897 4.470 -0.000 0.000 0.271 297 S C -0.501 174.067 174.600 -0.053 0.000 1.148 297 S CA -0.946 57.229 58.200 -0.041 0.000 0.868 297 S CB 2.081 65.257 63.200 -0.039 0.000 1.115 297 S HN 0.023 nan 8.310 nan 0.000 0.461 298 E N 0.253 120.425 120.200 -0.048 0.000 2.461 298 E HA 0.455 4.805 4.350 -0.000 0.000 0.263 298 E C 0.466 177.022 176.600 -0.073 0.000 1.143 298 E CA 0.687 57.054 56.400 -0.054 0.000 0.994 298 E CB 0.201 29.876 29.700 -0.041 0.000 0.973 298 E HN 1.165 nan 8.360 nan 0.000 0.457 299 G N -0.908 107.842 108.800 -0.084 0.000 2.326 299 G HA2 0.191 4.151 3.960 -0.000 0.000 0.478 299 G HA3 0.191 4.151 3.960 -0.000 0.000 0.478 299 G C -0.229 174.578 174.900 -0.155 0.000 1.551 299 G CA -0.317 44.717 45.100 -0.110 0.000 0.946 299 G HN 0.490 nan 8.290 nan 0.000 0.671 300 A N 0.120 122.852 122.820 -0.145 0.000 2.238 300 A HA 0.448 4.768 4.320 -0.000 0.000 0.208 300 A C 1.889 179.252 177.584 -0.369 0.000 1.177 300 A CA 2.111 54.056 52.037 -0.154 0.000 0.804 300 A CB -0.106 18.863 19.000 -0.051 0.000 0.823 300 A HN 1.104 nan 8.150 nan 0.000 0.482 301 T N -0.099 114.186 114.554 -0.449 0.000 2.990 301 T HA 0.069 4.419 4.350 -0.000 0.000 0.250 301 T C 0.209 174.375 174.700 -0.890 0.000 1.041 301 T CA -0.005 61.711 62.100 -0.639 0.000 1.010 301 T CB -0.151 68.554 68.868 -0.273 0.000 1.003 301 T HN 0.459 nan 8.240 nan 0.000 0.499 302 N N 2.141 120.475 118.700 -0.610 0.000 2.663 302 N HA 0.387 5.127 4.740 -0.000 0.000 0.250 302 N C -1.017 174.267 175.510 -0.376 0.000 1.129 302 N CA -0.166 52.646 53.050 -0.398 0.000 0.995 302 N CB -0.089 38.278 38.487 -0.201 0.000 1.324 302 N HN 0.152 nan 8.380 nan 0.000 0.512 303 F N -0.119 119.823 119.950 -0.014 0.000 2.380 303 F HA 0.636 5.163 4.527 -0.000 0.000 0.319 303 F C 1.583 177.370 175.800 -0.021 0.000 1.113 303 F CA -0.963 57.028 58.000 -0.015 0.000 1.056 303 F CB 0.424 39.417 39.000 -0.011 0.000 1.289 303 F HN 0.204 nan 8.300 nan 0.000 0.515 304 G N -0.672 108.259 108.800 0.218 0.000 2.511 304 G HA2 0.461 4.421 3.960 -0.000 0.000 0.316 304 G HA3 0.461 4.421 3.960 -0.000 0.000 0.316 304 G C -1.877 173.060 174.900 0.062 0.000 1.210 304 G CA -0.269 44.882 45.100 0.084 0.000 0.969 304 G HN 0.507 nan 8.290 nan 0.000 0.492 305 D N -0.745 119.656 120.400 0.001 0.000 2.879 305 D HA 0.294 4.934 4.640 -0.000 0.000 0.236 305 D C 1.425 177.688 176.300 -0.062 0.000 1.171 305 D CA -0.700 53.292 54.000 -0.012 0.000 0.868 305 D CB 1.986 42.788 40.800 0.004 0.000 1.598 305 D HN 0.127 nan 8.370 nan 0.000 0.497 306 I N 2.114 122.656 120.570 -0.047 0.000 2.163 306 I HA -0.083 4.087 4.170 -0.000 0.000 0.243 306 I C 1.656 177.734 176.117 -0.065 0.000 1.085 306 I CA 1.272 62.535 61.300 -0.061 0.000 1.347 306 I CB -0.306 37.689 38.000 -0.009 0.000 1.044 306 I HN 0.767 nan 8.210 nan 0.000 0.408 307 G N 1.140 109.923 108.800 -0.028 0.000 2.160 307 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.244 307 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.244 307 G C -0.145 174.760 174.900 0.009 0.000 1.022 307 G CA 0.123 45.213 45.100 -0.016 0.000 0.741 307 G HN 0.235 nan 8.290 nan 0.000 0.508 308 V N -0.146 119.782 119.914 0.024 0.000 2.711 308 V HA 0.366 4.486 4.120 -0.000 0.000 0.304 308 V C 0.499 176.623 176.094 0.049 0.000 1.097 308 V CA -0.879 61.444 62.300 0.040 0.000 0.906 308 V CB 1.940 33.794 31.823 0.052 0.000 1.015 308 V HN 0.492 nan 8.190 nan 0.000 0.427 309 Q N 2.653 122.482 119.800 0.048 0.000 2.308 309 Q HA -0.039 4.301 4.340 -0.000 0.000 0.313 309 Q C 1.187 177.237 176.000 0.083 0.000 1.075 309 Q CA 0.548 56.387 55.803 0.060 0.000 0.995 309 Q CB 0.553 29.318 28.738 0.044 0.000 1.107 309 Q HN 0.725 nan 8.270 nan 0.000 0.380 310 Q N 1.754 121.630 119.800 0.127 0.000 2.268 310 Q HA -0.230 4.110 4.340 -0.000 0.000 0.210 310 Q C 0.574 176.692 176.000 0.195 0.000 0.988 310 Q CA 1.709 57.630 55.803 0.196 0.000 0.883 310 Q CB 0.133 29.044 28.738 0.289 0.000 0.911 310 Q HN 0.715 nan 8.270 nan 0.000 0.430 311 D N -1.439 119.006 120.400 0.075 0.000 2.368 311 D HA -0.008 4.632 4.640 -0.000 0.000 0.218 311 D C 0.644 176.922 176.300 -0.037 0.000 1.112 311 D CA 0.109 54.059 54.000 -0.083 0.000 0.834 311 D CB 0.338 40.942 40.800 -0.327 0.000 0.953 311 D HN -0.020 nan 8.370 nan 0.000 0.505 312 K N 0.388 120.796 120.400 0.013 0.000 2.447 312 K HA 0.223 4.543 4.320 -0.000 0.000 0.205 312 K C 0.465 177.086 176.600 0.035 0.000 1.059 312 K CA -0.340 55.956 56.287 0.015 0.000 1.065 312 K CB 1.501 34.012 32.500 0.018 0.000 0.885 312 K HN 0.105 nan 8.250 nan 0.000 0.545 313 R N 1.138 121.668 120.500 0.050 0.000 2.615 313 R HA 0.269 4.609 4.340 -0.000 0.000 0.270 313 R C 0.199 176.531 176.300 0.054 0.000 1.081 313 R CA -0.154 55.983 56.100 0.062 0.000 1.154 313 R CB 0.803 31.151 30.300 0.080 0.000 1.063 313 R HN -0.074 nan 8.270 nan 0.000 0.519 314 R N 0.104 120.638 120.500 0.057 0.000 2.540 314 R HA 0.629 4.969 4.340 -0.000 0.000 0.287 314 R C 0.010 176.341 176.300 0.051 0.000 0.980 314 R CA -0.372 55.756 56.100 0.047 0.000 0.966 314 R CB 1.932 32.257 30.300 0.043 0.000 1.106 314 R HN 0.864 nan 8.270 nan 0.000 0.480 315 G N 0.064 108.889 108.800 0.042 0.000 2.350 315 G HA2 0.193 4.153 3.960 -0.000 0.000 0.276 315 G HA3 0.193 4.153 3.960 -0.000 0.000 0.276 315 G C -1.831 173.089 174.900 0.033 0.000 1.313 315 G CA -0.829 44.296 45.100 0.042 0.000 0.903 315 G HN 0.390 nan 8.290 nan 0.000 0.490 316 V N 0.858 120.791 119.914 0.031 0.000 2.638 316 V HA 0.829 4.949 4.120 -0.000 0.000 0.306 316 V C 0.326 176.430 176.094 0.017 0.000 1.052 316 V CA 0.092 62.404 62.300 0.020 0.000 0.885 316 V CB 1.210 33.042 31.823 0.015 0.000 0.999 316 V HN 1.555 nan 8.190 nan 0.000 0.424 317 T N 0.622 115.181 114.554 0.009 0.000 2.907 317 T HA 0.486 4.836 4.350 -0.000 0.000 0.290 317 T C -0.004 174.684 174.700 -0.019 0.000 1.066 317 T CA -0.592 61.507 62.100 -0.002 0.000 1.012 317 T CB 2.387 71.257 68.868 0.004 0.000 1.184 317 T HN 0.535 nan 8.240 nan 0.000 0.522 318 Q N -0.054 119.724 119.800 -0.036 0.000 2.220 318 Q HA 0.361 4.701 4.340 -0.000 0.000 0.205 318 Q C -0.335 175.628 176.000 -0.062 0.000 0.865 318 Q CA -0.173 55.603 55.803 -0.044 0.000 0.960 318 Q CB -0.008 28.702 28.738 -0.047 0.000 1.097 318 Q HN 0.646 nan 8.270 nan 0.000 0.493 319 M N 0.028 119.583 119.600 -0.075 0.000 2.103 319 M HA 0.305 4.785 4.480 -0.000 0.000 0.350 319 M C 0.898 177.160 176.300 -0.064 0.000 1.100 319 M CA -0.376 54.858 55.300 -0.110 0.000 1.042 319 M CB 1.271 33.744 32.600 -0.212 0.000 1.368 319 M HN 0.142 nan 8.290 nan 0.000 0.404 320 G N 2.058 110.832 108.800 -0.043 0.000 2.708 320 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.210 320 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.210 320 G C 1.076 175.973 174.900 -0.005 0.000 1.141 320 G CA 0.406 45.495 45.100 -0.019 0.000 0.788 320 G HN 0.589 nan 8.290 nan 0.000 0.531 321 N N 0.462 119.159 118.700 -0.005 0.000 2.178 321 N HA -0.032 4.708 4.740 -0.000 0.000 0.189 321 N C 1.525 177.074 175.510 0.065 0.000 1.048 321 N CA 1.402 54.475 53.050 0.038 0.000 0.855 321 N CB -0.527 38.000 38.487 0.068 0.000 1.028 321 N HN 0.395 nan 8.380 nan 0.000 0.441 322 T N -1.043 113.571 114.554 0.099 0.000 2.847 322 T HA 0.301 4.651 4.350 -0.000 0.000 0.279 322 T C 0.546 175.282 174.700 0.060 0.000 0.984 322 T CA -0.541 61.644 62.100 0.141 0.000 0.988 322 T CB 1.183 70.303 68.868 0.421 0.000 1.040 322 T HN 0.110 nan 8.240 nan 0.000 0.528 323 N N -0.986 117.698 118.700 -0.027 0.000 2.203 323 N HA 0.107 4.847 4.740 -0.000 0.000 0.207 323 N C -0.918 174.586 175.510 -0.010 0.000 1.130 323 N CA -0.164 52.858 53.050 -0.045 0.000 0.861 323 N CB 0.185 38.611 38.487 -0.103 0.000 1.005 323 N HN 0.480 nan 8.380 nan 0.000 0.507 324 Y N 1.619 121.987 120.300 0.112 0.000 2.637 324 Y HA 0.178 4.728 4.550 -0.000 0.000 0.350 324 Y C 0.337 176.298 175.900 0.102 0.000 1.069 324 Y CA -0.113 58.064 58.100 0.129 0.000 1.397 324 Y CB 0.015 38.611 38.460 0.226 0.000 1.163 324 Y HN -0.019 nan 8.280 nan 0.000 0.527 325 I N 3.853 124.568 120.570 0.241 0.000 2.347 325 I HA 0.167 4.337 4.170 -0.000 0.000 0.283 325 I C 0.288 176.497 176.117 0.153 0.000 1.058 325 I CA -0.140 61.255 61.300 0.157 0.000 1.202 325 I CB 0.748 38.812 38.000 0.107 0.000 1.386 325 I HN 0.470 nan 8.210 nan 0.000 0.475 326 T N 3.234 117.876 114.554 0.146 0.000 2.932 326 T HA 0.212 4.562 4.350 -0.000 0.000 0.289 326 T C 1.115 175.872 174.700 0.094 0.000 1.039 326 T CA -0.462 61.709 62.100 0.118 0.000 1.024 326 T CB 1.635 70.574 68.868 0.119 0.000 1.090 326 T HN 0.486 nan 8.240 nan 0.000 0.496 327 E N 1.504 121.753 120.200 0.081 0.000 2.333 327 E HA -0.108 4.242 4.350 -0.000 0.000 0.200 327 E C 1.689 178.334 176.600 0.075 0.000 1.010 327 E CA 1.094 57.537 56.400 0.072 0.000 0.841 327 E CB -0.157 29.582 29.700 0.065 0.000 0.757 327 E HN 0.637 nan 8.360 nan 0.000 0.508 328 A N 0.269 123.145 122.820 0.094 0.000 2.147 328 A HA -0.008 4.312 4.320 -0.000 0.000 0.211 328 A C 2.126 179.754 177.584 0.073 0.000 1.160 328 A CA 1.209 53.306 52.037 0.099 0.000 0.781 328 A CB 0.024 19.124 19.000 0.167 0.000 0.842 328 A HN 0.285 nan 8.150 nan 0.000 0.475 329 T N -3.528 111.074 114.554 0.080 0.000 2.990 329 T HA 0.283 4.633 4.350 -0.000 0.000 0.250 329 T C 0.702 175.418 174.700 0.026 0.000 1.041 329 T CA -0.322 61.804 62.100 0.044 0.000 1.010 329 T CB -0.152 68.757 68.868 0.069 0.000 1.003 329 T HN 0.075 nan 8.240 nan 0.000 0.499 330 I N 2.820 123.416 120.570 0.044 0.000 2.815 330 I HA 0.132 4.302 4.170 -0.000 0.000 0.291 330 I C 0.629 176.753 176.117 0.012 0.000 1.209 330 I CA -0.333 60.989 61.300 0.036 0.000 1.431 330 I CB 0.651 38.680 38.000 0.048 0.000 1.351 330 I HN 0.458 nan 8.210 nan 0.000 0.585 331 M N 7.659 127.262 119.600 0.005 0.000 2.228 331 M HA 0.192 4.672 4.480 -0.000 0.000 0.351 331 M C -0.539 175.748 176.300 -0.021 0.000 1.233 331 M CA 0.084 55.377 55.300 -0.013 0.000 1.129 331 M CB 0.207 32.799 32.600 -0.013 0.000 1.604 331 M HN 0.409 nan 8.290 nan 0.000 0.457 332 R N 4.221 124.693 120.500 -0.047 0.000 2.740 332 R HA 0.426 4.766 4.340 -0.000 0.000 0.282 332 R C -2.080 174.150 176.300 -0.116 0.000 0.969 332 R CA -1.735 54.315 56.100 -0.084 0.000 0.918 332 R CB 0.245 30.489 30.300 -0.093 0.000 1.175 332 R HN 0.531 nan 8.270 nan 0.000 0.464 333 P HA -0.218 nan 4.420 nan 0.000 0.217 333 P C -0.046 177.166 177.300 -0.147 0.000 1.162 333 P CA 2.022 65.010 63.100 -0.186 0.000 0.901 333 P CB 0.355 31.834 31.700 -0.368 0.000 0.793 334 A N -2.188 120.532 122.820 -0.168 0.000 3.136 334 A HA 0.542 4.862 4.320 -0.000 0.000 0.299 334 A C -1.352 176.166 177.584 -0.111 0.000 1.197 334 A CA -0.505 51.458 52.037 -0.122 0.000 0.640 334 A CB 0.548 19.479 19.000 -0.116 0.000 1.440 334 A HN -0.026 nan 8.150 nan 0.000 0.614 335 E N 0.339 120.489 120.200 -0.084 0.000 2.216 335 E HA 0.530 4.880 4.350 -0.000 0.000 0.260 335 E C -1.697 174.886 176.600 -0.028 0.000 0.880 335 E CA -0.512 55.854 56.400 -0.056 0.000 0.765 335 E CB 1.649 31.326 29.700 -0.038 0.000 1.174 335 E HN 0.371 nan 8.360 nan 0.000 0.417 336 V N 4.783 124.679 119.914 -0.030 0.000 2.415 336 V HA 0.459 4.579 4.120 -0.000 0.000 0.267 336 V C 0.791 176.914 176.094 0.048 0.000 1.042 336 V CA 1.031 63.330 62.300 -0.002 0.000 1.000 336 V CB -0.043 31.764 31.823 -0.027 0.000 1.015 336 V HN 0.947 nan 8.190 nan 0.000 0.478 337 G N 4.885 113.747 108.800 0.105 0.000 2.712 337 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.683 337 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.683 337 G C -1.099 173.962 174.900 0.268 0.000 1.320 337 G CA -0.132 45.077 45.100 0.181 0.000 0.847 337 G HN 1.755 nan 8.290 nan 0.000 0.553 338 Y N -2.320 117.997 120.300 0.027 0.000 2.609 338 Y HA 0.809 5.359 4.550 -0.000 0.000 0.336 338 Y C -0.146 175.746 175.900 -0.013 0.000 1.129 338 Y CA -0.766 57.346 58.100 0.021 0.000 1.040 338 Y CB 0.990 39.515 38.460 0.109 0.000 1.310 338 Y HN 0.846 nan 8.280 nan 0.000 0.460 339 S N 1.561 117.171 115.700 -0.151 0.000 2.480 339 S HA 0.874 5.344 4.470 -0.000 0.000 0.286 339 S C -0.614 173.861 174.600 -0.207 0.000 1.180 339 S CA -0.269 57.790 58.200 -0.236 0.000 1.075 339 S CB 1.141 64.268 63.200 -0.122 0.000 0.996 339 S HN 0.937 nan 8.310 nan 0.000 0.487 340 A N 4.095 126.784 122.820 -0.218 0.000 2.498 340 A HA 0.844 5.164 4.320 -0.000 0.000 0.298 340 A C -2.948 174.678 177.584 0.071 0.000 1.075 340 A CA -2.094 49.914 52.037 -0.049 0.000 0.714 340 A CB 0.838 19.789 19.000 -0.081 0.000 1.299 340 A HN 0.544 nan 8.150 nan 0.000 0.407 341 P HA 0.124 nan 4.420 nan 0.000 0.261 341 P C -1.314 176.122 177.300 0.225 0.000 1.183 341 P CA 0.790 64.000 63.100 0.183 0.000 0.761 341 P CB -0.200 31.570 31.700 0.117 0.000 0.785 342 Y N 1.766 122.057 120.300 -0.015 0.000 2.341 342 Y HA 0.473 5.023 4.550 -0.000 0.000 0.337 342 Y C 0.029 175.974 175.900 0.075 0.000 1.014 342 Y CA -2.181 55.898 58.100 -0.034 0.000 1.111 342 Y CB 0.273 38.633 38.460 -0.167 0.000 1.194 342 Y HN 0.284 nan 8.280 nan 0.000 0.462 343 Y N 0.481 120.834 120.300 0.090 0.000 3.233 343 Y HA -0.194 4.356 4.550 -0.000 0.000 0.201 343 Y C 0.348 176.303 175.900 0.092 0.000 1.486 343 Y CA 0.383 58.525 58.100 0.070 0.000 1.326 343 Y CB -1.727 36.822 38.460 0.148 0.000 1.460 343 Y HN 0.842 nan 8.280 nan 0.000 0.512 344 S N 0.515 116.275 115.700 0.100 0.000 2.508 344 S HA 0.830 5.300 4.470 -0.000 0.000 0.284 344 S C -0.673 173.817 174.600 -0.183 0.000 1.192 344 S CA -0.318 57.914 58.200 0.054 0.000 1.070 344 S CB 0.613 63.830 63.200 0.028 0.000 1.004 344 S HN 0.171 nan 8.310 nan 0.000 0.493 345 F N 2.616 122.527 119.950 -0.066 0.000 2.507 345 F HA 0.460 4.987 4.527 -0.000 0.000 0.328 345 F C 0.452 176.089 175.800 -0.272 0.000 1.136 345 F CA -0.671 57.230 58.000 -0.166 0.000 0.930 345 F CB 1.917 40.841 39.000 -0.127 0.000 1.166 345 F HN 0.600 nan 8.300 nan 0.000 0.436 346 E N 1.664 121.602 120.200 -0.437 0.000 2.243 346 E HA 0.887 5.237 4.350 -0.000 0.000 0.260 346 E C -1.020 175.138 176.600 -0.736 0.000 0.985 346 E CA -1.385 54.714 56.400 -0.500 0.000 0.858 346 E CB 2.229 31.645 29.700 -0.474 0.000 1.210 346 E HN 0.572 nan 8.360 nan 0.000 0.411 347 A N 0.776 123.380 122.820 -0.360 0.000 2.486 347 A HA 0.599 4.919 4.320 -0.000 0.000 0.300 347 A C -0.720 176.879 177.584 0.025 0.000 1.048 347 A CA -0.481 51.462 52.037 -0.158 0.000 0.696 347 A CB 2.064 21.031 19.000 -0.056 0.000 1.278 347 A HN 0.422 nan 8.150 nan 0.000 0.405 348 S N -0.716 115.076 115.700 0.154 0.000 3.137 348 S HA 0.553 5.023 4.470 -0.000 0.000 0.292 348 S C 1.577 176.189 174.600 0.021 0.000 1.041 348 S CA 0.702 58.964 58.200 0.103 0.000 0.956 348 S CB 0.497 63.786 63.200 0.148 0.000 1.360 348 S HN 1.521 nan 8.310 nan 0.000 0.690 349 T N 0.269 114.793 114.554 -0.050 0.000 3.098 349 T HA 0.019 4.369 4.350 -0.000 0.000 0.266 349 T C 0.817 175.406 174.700 -0.185 0.000 1.145 349 T CA 1.086 63.114 62.100 -0.120 0.000 1.092 349 T CB -0.411 68.359 68.868 -0.163 0.000 0.908 349 T HN 0.604 nan 8.240 nan 0.000 0.526 350 Q N 0.394 120.083 119.800 -0.185 0.000 2.139 350 Q HA 0.537 4.877 4.340 -0.000 0.000 0.219 350 Q C 0.862 176.925 176.000 0.106 0.000 0.805 350 Q CA -0.255 55.371 55.803 -0.295 0.000 1.024 350 Q CB 1.283 29.525 28.738 -0.827 0.000 1.163 350 Q HN 0.594 nan 8.270 nan 0.000 0.485 351 G N 2.026 110.914 108.800 0.146 0.000 2.353 351 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.615 351 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.615 351 G C -3.286 171.739 174.900 0.209 0.000 1.280 351 G CA -1.172 44.055 45.100 0.212 0.000 1.000 351 G HN -0.032 nan 8.290 nan 0.000 0.516 352 P HA 0.764 nan 4.420 nan 0.000 0.279 352 P C -0.742 176.719 177.300 0.269 0.000 1.252 352 P CA -0.491 62.667 63.100 0.096 0.000 0.811 352 P CB 0.592 32.337 31.700 0.076 0.000 1.035 353 F N -2.282 117.802 119.950 0.223 0.000 2.665 353 F HA 0.532 5.059 4.527 -0.000 0.000 0.308 353 F C -0.786 175.009 175.800 -0.009 0.000 1.112 353 F CA -1.471 56.618 58.000 0.148 0.000 0.972 353 F CB 1.037 40.067 39.000 0.051 0.000 1.295 353 F HN -0.037 nan 8.300 nan 0.000 0.440 354 K N 2.126 122.503 120.400 -0.038 0.000 2.379 354 K HA 0.191 4.511 4.320 -0.000 0.000 0.284 354 K C -0.520 176.006 176.600 -0.122 0.000 1.044 354 K CA 0.139 56.097 56.287 -0.549 0.000 0.974 354 K CB 1.008 33.188 32.500 -0.533 0.000 0.962 354 K HN 0.897 nan 8.250 nan 0.000 0.474 355 T N 7.692 122.135 114.554 -0.187 0.000 2.784 355 T HA 0.119 4.469 4.350 -0.000 0.000 0.291 355 T C -2.051 172.657 174.700 0.012 0.000 0.942 355 T CA -0.916 61.187 62.100 0.005 0.000 1.161 355 T CB 0.557 69.418 68.868 -0.011 0.000 0.885 355 T HN 0.442 nan 8.240 nan 0.000 0.534 356 P HA 0.319 nan 4.420 nan 0.000 0.274 356 P C -0.741 176.591 177.300 0.053 0.000 1.231 356 P CA -0.514 62.611 63.100 0.041 0.000 0.790 356 P CB 0.830 32.553 31.700 0.038 0.000 0.951 357 I N 1.033 121.633 120.570 0.050 0.000 2.603 357 I HA 0.274 4.444 4.170 -0.000 0.000 0.300 357 I C 1.449 177.618 176.117 0.087 0.000 1.017 357 I CA -1.092 60.244 61.300 0.059 0.000 1.098 357 I CB 1.125 39.122 38.000 -0.006 0.000 1.279 357 I HN 0.411 nan 8.210 nan 0.000 0.437 358 A N 4.266 127.183 122.820 0.162 0.000 1.854 358 A HA 0.439 4.759 4.320 -0.000 0.000 0.214 358 A C 1.005 178.661 177.584 0.121 0.000 1.192 358 A CA 1.309 53.441 52.037 0.158 0.000 0.611 358 A CB -0.081 19.071 19.000 0.252 0.000 0.832 358 A HN 0.782 nan 8.150 nan 0.000 0.442 359 A N -2.031 120.849 122.820 0.101 0.000 2.384 359 A HA 0.660 4.980 4.320 -0.000 0.000 0.312 359 A C 0.649 178.250 177.584 0.029 0.000 1.113 359 A CA -0.080 52.003 52.037 0.077 0.000 0.779 359 A CB 0.762 19.818 19.000 0.093 0.000 1.307 359 A HN 0.781 nan 8.150 nan 0.000 0.436 360 G N -0.377 108.455 108.800 0.053 0.000 3.137 360 G HA2 0.559 4.519 3.960 -0.000 0.000 0.163 360 G HA3 0.559 4.519 3.960 -0.000 0.000 0.163 360 G C 0.007 174.912 174.900 0.009 0.000 1.602 360 G CA -0.269 44.849 45.100 0.030 0.000 1.067 360 G HN 0.880 nan 8.290 nan 0.000 0.568 361 R N -1.646 118.865 120.500 0.019 0.000 2.594 361 R HA 0.529 4.869 4.340 -0.000 0.000 0.265 361 R C -0.727 175.583 176.300 0.018 0.000 1.070 361 R CA -0.089 56.020 56.100 0.015 0.000 0.909 361 R CB 1.476 31.778 30.300 0.004 0.000 1.243 361 R HN 0.866 nan 8.270 nan 0.000 0.455 362 G N 0.324 109.134 108.800 0.016 0.000 3.086 362 G HA2 0.788 4.748 3.960 -0.000 0.000 0.282 362 G HA3 0.788 4.748 3.960 -0.000 0.000 0.282 362 G C -0.301 174.594 174.900 -0.009 0.000 1.343 362 G CA -0.396 44.705 45.100 0.003 0.000 0.895 362 G HN 1.045 nan 8.290 nan 0.000 0.557 363 G N -1.945 106.848 108.800 -0.013 0.000 2.447 363 G HA2 0.410 4.370 3.960 -0.000 0.000 0.220 363 G HA3 0.410 4.370 3.960 -0.000 0.000 0.220 363 G C 0.731 175.606 174.900 -0.041 0.000 1.261 363 G CA 0.524 45.608 45.100 -0.027 0.000 1.000 363 G HN 1.909 nan 8.290 nan 0.000 0.515 364 A N -1.034 121.749 122.820 -0.061 0.000 2.302 364 A HA 0.469 4.789 4.320 -0.000 0.000 0.219 364 A C 1.694 179.228 177.584 -0.084 0.000 1.243 364 A CA 1.985 53.987 52.037 -0.059 0.000 0.856 364 A CB 0.005 18.972 19.000 -0.054 0.000 0.893 364 A HN 0.608 nan 8.150 nan 0.000 0.491 365 Q N -1.023 118.706 119.800 -0.118 0.000 2.217 365 Q HA 0.072 4.412 4.340 -0.000 0.000 0.217 365 Q C 1.676 177.651 176.000 -0.042 0.000 0.844 365 Q CA 1.055 56.775 55.803 -0.139 0.000 0.957 365 Q CB 0.370 28.885 28.738 -0.371 0.000 1.127 365 Q HN 0.750 nan 8.270 nan 0.000 0.503 366 T N -3.118 111.421 114.554 -0.025 0.000 3.523 366 T HA 0.078 4.428 4.350 -0.000 0.000 0.216 366 T C 0.255 174.963 174.700 0.013 0.000 0.922 366 T CA 0.559 62.661 62.100 0.004 0.000 1.558 366 T CB -0.051 68.818 68.868 0.002 0.000 1.424 366 T HN 0.128 nan 8.240 nan 0.000 0.452 367 D N 2.086 122.492 120.400 0.010 0.000 3.090 367 D HA -0.183 4.457 4.640 -0.000 0.000 0.215 367 D C 0.515 176.833 176.300 0.030 0.000 1.140 367 D CA 1.155 55.166 54.000 0.018 0.000 0.937 367 D CB -1.757 39.054 40.800 0.018 0.000 1.108 367 D HN 1.049 nan 8.370 nan 0.000 0.420 368 E N -1.520 118.699 120.200 0.032 0.000 2.971 368 E HA -0.365 3.985 4.350 -0.000 0.000 0.271 368 E C 0.451 177.079 176.600 0.047 0.000 1.053 368 E CA 1.769 58.195 56.400 0.043 0.000 0.817 368 E CB -1.818 27.916 29.700 0.055 0.000 1.410 368 E HN 0.422 nan 8.360 nan 0.000 0.445 369 N N -0.164 118.562 118.700 0.043 0.000 2.118 369 N HA 0.073 4.813 4.740 -0.000 0.000 0.226 369 N C 0.714 176.252 175.510 0.046 0.000 1.305 369 N CA 0.252 53.329 53.050 0.046 0.000 0.890 369 N CB 0.603 39.116 38.487 0.043 0.000 1.118 369 N HN 0.300 nan 8.380 nan 0.000 0.511 370 Q N 0.201 120.027 119.800 0.045 0.000 2.198 370 Q HA 0.427 4.767 4.340 -0.000 0.000 0.209 370 Q C 0.099 176.127 176.000 0.046 0.000 0.848 370 Q CA -0.391 55.442 55.803 0.049 0.000 0.974 370 Q CB 0.919 29.689 28.738 0.054 0.000 1.115 370 Q HN 0.338 nan 8.270 nan 0.000 0.494 371 A N 0.963 123.810 122.820 0.045 0.000 2.645 371 A HA 0.277 4.597 4.320 -0.000 0.000 0.233 371 A C 0.350 177.955 177.584 0.034 0.000 1.100 371 A CA 1.129 53.192 52.037 0.043 0.000 0.793 371 A CB 0.107 19.140 19.000 0.055 0.000 1.028 371 A HN 0.425 nan 8.150 nan 0.000 0.516 372 A N -0.014 122.817 122.820 0.018 0.000 3.065 372 A HA 0.631 4.951 4.320 -0.000 0.000 0.293 372 A C -0.674 176.900 177.584 -0.017 0.000 1.213 372 A CA 0.071 52.086 52.037 -0.036 0.000 0.667 372 A CB -0.011 18.929 19.000 -0.100 0.000 1.412 372 A HN 0.834 nan 8.150 nan 0.000 0.601 373 D N -0.944 119.389 120.400 -0.113 0.000 2.382 373 D HA 0.444 5.084 4.640 -0.000 0.000 0.245 373 D C 1.143 177.439 176.300 -0.007 0.000 1.120 373 D CA 2.069 56.063 54.000 -0.010 0.000 0.890 373 D CB 0.907 41.665 40.800 -0.069 0.000 1.201 373 D HN 1.548 nan 8.370 nan 0.000 0.433 374 G N 3.777 112.604 108.800 0.044 0.000 2.424 374 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.207 374 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.207 374 G C 0.183 175.124 174.900 0.068 0.000 1.061 374 G CA -0.351 44.769 45.100 0.034 0.000 0.657 374 G HN 0.596 nan 8.290 nan 0.000 0.508 375 N N 3.700 122.446 118.700 0.076 0.000 2.420 375 N HA 0.386 5.126 4.740 -0.000 0.000 0.262 375 N C -2.316 173.253 175.510 0.097 0.000 1.144 375 N CA -0.382 52.735 53.050 0.113 0.000 0.952 375 N CB 1.382 39.929 38.487 0.100 0.000 1.081 375 N HN 0.397 nan 8.380 nan 0.000 0.480 376 P HA 0.172 nan 4.420 nan 0.000 0.275 376 P C -0.521 176.757 177.300 -0.038 0.000 1.227 376 P CA -0.198 62.904 63.100 0.002 0.000 0.781 376 P CB 1.350 33.071 31.700 0.034 0.000 0.906 377 R N 2.715 123.087 120.500 -0.213 0.000 2.439 377 R HA 0.386 4.726 4.340 -0.000 0.000 0.310 377 R C -1.078 174.976 176.300 -0.410 0.000 0.955 377 R CA -0.637 55.322 56.100 -0.235 0.000 0.853 377 R CB 0.712 30.936 30.300 -0.127 0.000 1.171 377 R HN 0.422 nan 8.270 nan 0.000 0.449 378 Y N 2.040 122.033 120.300 -0.511 0.000 2.330 378 Y HA 0.544 5.094 4.550 -0.000 0.000 0.336 378 Y C 0.267 176.122 175.900 -0.074 0.000 1.036 378 Y CA -0.514 57.388 58.100 -0.330 0.000 1.125 378 Y CB 2.214 40.359 38.460 -0.525 0.000 1.194 378 Y HN 0.619 nan 8.280 nan 0.000 0.469 379 A N 5.007 127.936 122.820 0.181 0.000 2.331 379 A HA 0.886 5.206 4.320 -0.000 0.000 0.320 379 A C -1.309 176.420 177.584 0.241 0.000 1.138 379 A CA -0.498 51.578 52.037 0.064 0.000 0.790 379 A CB 0.371 19.352 19.000 -0.032 0.000 1.206 379 A HN 0.673 nan 8.150 nan 0.000 0.470 380 F N 0.023 120.012 119.950 0.065 0.000 2.711 380 F HA 0.831 5.358 4.527 -0.000 0.000 0.313 380 F C 0.275 176.116 175.800 0.069 0.000 1.141 380 F CA -0.730 57.317 58.000 0.079 0.000 0.941 380 F CB 0.688 39.757 39.000 0.114 0.000 1.349 380 F HN 0.775 nan 8.300 nan 0.000 0.464 381 G N 0.168 109.114 108.800 0.244 0.000 2.557 381 G HA2 0.446 4.406 3.960 -0.000 0.000 0.302 381 G HA3 0.446 4.406 3.960 -0.000 0.000 0.302 381 G C 0.142 175.097 174.900 0.090 0.000 1.311 381 G CA -1.111 44.042 45.100 0.087 0.000 1.030 381 G HN 0.797 nan 8.290 nan 0.000 0.509 382 R N -1.013 119.489 120.500 0.004 0.000 2.139 382 R HA -0.142 4.198 4.340 -0.000 0.000 0.243 382 R C 2.529 178.818 176.300 -0.019 0.000 1.145 382 R CA 1.822 57.927 56.100 0.008 0.000 0.976 382 R CB -0.091 30.189 30.300 -0.033 0.000 0.866 382 R HN 0.677 nan 8.270 nan 0.000 0.449 383 Q N -0.326 119.349 119.800 -0.209 0.000 2.369 383 Q HA -0.117 4.223 4.340 -0.000 0.000 0.206 383 Q C 0.276 175.838 176.000 -0.729 0.000 0.963 383 Q CA 1.040 56.587 55.803 -0.426 0.000 0.894 383 Q CB 0.411 28.763 28.738 -0.643 0.000 0.965 383 Q HN 0.486 nan 8.270 nan 0.000 0.475 384 H N -2.245 116.644 119.070 -0.301 0.000 2.510 384 H HA 0.353 4.909 4.556 -0.000 0.000 0.266 384 H C 0.548 175.716 175.328 -0.266 0.000 1.146 384 H CA 0.565 56.131 56.048 -0.803 0.000 0.993 384 H CB 1.452 30.695 29.762 -0.865 0.000 1.727 384 H HN 0.383 nan 8.280 nan 0.000 0.590 385 G N 1.128 110.037 108.800 0.180 0.000 2.624 385 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.190 385 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.190 385 G C 0.413 175.611 174.900 0.496 0.000 1.008 385 G CA -0.203 45.115 45.100 0.364 0.000 0.731 385 G HN 0.281 nan 8.290 nan 0.000 0.478 386 K N 2.073 122.736 120.400 0.439 0.000 2.355 386 K HA 0.403 4.723 4.320 -0.000 0.000 0.270 386 K C 0.694 177.393 176.600 0.164 0.000 1.003 386 K CA -0.284 56.128 56.287 0.209 0.000 0.957 386 K CB 0.544 33.078 32.500 0.056 0.000 0.939 386 K HN 0.171 nan 8.250 nan 0.000 0.482 387 K N 3.225 123.693 120.400 0.113 0.000 2.466 387 K HA -0.090 4.230 4.320 -0.000 0.000 0.278 387 K C 0.143 176.770 176.600 0.045 0.000 1.048 387 K CA 0.429 56.767 56.287 0.086 0.000 1.088 387 K CB 0.244 32.779 32.500 0.058 0.000 0.884 387 K HN 0.807 nan 8.250 nan 0.000 0.478 388 T N 2.236 116.806 114.554 0.026 0.000 2.685 388 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 388 T C 1.417 176.100 174.700 -0.028 0.000 1.034 388 T CA 2.409 64.491 62.100 -0.030 0.000 1.149 388 T CB -0.201 68.607 68.868 -0.100 0.000 0.860 388 T HN 0.848 nan 8.240 nan 0.000 0.449 389 T N -0.277 114.268 114.554 -0.015 0.000 3.169 389 T HA 0.153 4.503 4.350 -0.000 0.000 0.250 389 T C 0.709 175.401 174.700 -0.014 0.000 1.111 389 T CA -0.164 61.927 62.100 -0.016 0.000 1.010 389 T CB -0.289 68.572 68.868 -0.011 0.000 0.984 389 T HN 0.139 nan 8.240 nan 0.000 0.537 390 T N 3.701 118.250 114.554 -0.009 0.000 2.913 390 T HA 0.450 4.800 4.350 -0.000 0.000 0.297 390 T C 0.651 175.339 174.700 -0.020 0.000 1.029 390 T CA -0.419 61.675 62.100 -0.011 0.000 1.104 390 T CB 1.197 70.061 68.868 -0.007 0.000 0.964 390 T HN 0.578 nan 8.240 nan 0.000 0.532 391 T N -0.611 113.931 114.554 -0.020 0.000 2.937 391 T HA 0.801 5.151 4.350 -0.000 0.000 0.283 391 T C 0.364 175.049 174.700 -0.026 0.000 1.012 391 T CA -0.293 61.793 62.100 -0.024 0.000 0.997 391 T CB 1.359 70.214 68.868 -0.022 0.000 1.136 391 T HN 1.173 nan 8.240 nan 0.000 0.551 392 G N 0.542 109.326 108.800 -0.027 0.000 2.663 392 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.686 392 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.686 392 G C 0.035 174.916 174.900 -0.032 0.000 1.246 392 G CA -0.254 44.829 45.100 -0.028 0.000 0.795 392 G HN 0.661 nan 8.290 nan 0.000 0.627 393 E N -0.462 119.719 120.200 -0.032 0.000 2.385 393 E HA 0.039 4.389 4.350 -0.000 0.000 0.194 393 E C 1.339 177.916 176.600 -0.039 0.000 1.013 393 E CA 0.994 57.373 56.400 -0.034 0.000 0.866 393 E CB -0.105 29.577 29.700 -0.030 0.000 0.832 393 E HN 0.592 nan 8.360 nan 0.000 0.500 394 T N 5.112 119.642 114.554 -0.040 0.000 2.853 394 T HA 0.133 4.483 4.350 -0.000 0.000 0.298 394 T C -1.904 172.755 174.700 -0.068 0.000 0.978 394 T CA -0.816 61.255 62.100 -0.048 0.000 1.152 394 T CB 0.929 69.772 68.868 -0.042 0.000 0.914 394 T HN 0.092 nan 8.240 nan 0.000 0.539 395 P HA 0.409 nan 4.420 nan 0.000 0.281 395 P C -0.534 176.635 177.300 -0.219 0.000 1.281 395 P CA -0.571 62.440 63.100 -0.149 0.000 0.811 395 P CB 0.938 32.554 31.700 -0.139 0.000 1.154 396 E N 0.060 120.011 120.200 -0.414 0.000 2.222 396 E HA 0.485 4.835 4.350 -0.000 0.000 0.272 396 E C -0.618 175.527 176.600 -0.757 0.000 0.982 396 E CA -0.451 55.652 56.400 -0.496 0.000 0.842 396 E CB 1.054 30.448 29.700 -0.510 0.000 1.144 396 E HN 0.311 nan 8.360 nan 0.000 0.397 397 R N 1.671 121.981 120.500 -0.318 0.000 2.766 397 R HA 0.706 5.046 4.340 -0.000 0.000 0.270 397 R C -1.197 175.244 176.300 0.236 0.000 1.035 397 R CA -0.862 55.183 56.100 -0.091 0.000 0.911 397 R CB 1.153 31.398 30.300 -0.092 0.000 1.243 397 R HN 0.565 nan 8.270 nan 0.000 0.460 398 F N -2.766 117.257 119.950 0.122 0.000 2.725 398 F HA 0.509 5.036 4.527 -0.000 0.000 0.309 398 F C -1.578 174.216 175.800 -0.009 0.000 1.132 398 F CA -0.812 57.172 58.000 -0.027 0.000 0.957 398 F CB 1.857 40.691 39.000 -0.277 0.000 1.286 398 F HN 0.249 nan 8.300 nan 0.000 0.440 399 T N 2.666 117.247 114.554 0.046 0.000 2.788 399 T HA 0.235 4.585 4.350 -0.000 0.000 0.296 399 T C -1.336 173.465 174.700 0.169 0.000 1.009 399 T CA -0.275 61.852 62.100 0.044 0.000 0.949 399 T CB 0.082 68.980 68.868 0.049 0.000 0.946 399 T HN 0.631 nan 8.240 nan 0.000 0.453 400 Y N 4.782 125.192 120.300 0.183 0.000 2.569 400 Y HA 0.331 4.881 4.550 -0.000 0.000 0.332 400 Y C -0.005 176.000 175.900 0.175 0.000 1.120 400 Y CA -0.273 57.991 58.100 0.272 0.000 1.416 400 Y CB 0.135 38.842 38.460 0.411 0.000 1.210 400 Y HN 0.555 nan 8.280 nan 0.000 0.528 401 I N 7.651 128.109 120.570 -0.187 0.000 2.412 401 I HA 0.316 4.486 4.170 -0.000 0.000 0.279 401 I C 0.290 176.256 176.117 -0.251 0.000 1.063 401 I CA -0.741 60.496 61.300 -0.106 0.000 1.193 401 I CB 0.320 38.272 38.000 -0.080 0.000 1.370 401 I HN 0.764 nan 8.210 nan 0.000 0.479 402 A N 4.597 127.428 122.820 0.018 0.000 2.586 402 A HA -0.035 4.285 4.320 -0.000 0.000 0.231 402 A C 1.102 178.650 177.584 -0.060 0.000 1.055 402 A CA 0.391 52.489 52.037 0.102 0.000 0.756 402 A CB 0.046 19.226 19.000 0.300 0.000 0.988 402 A HN 0.698 nan 8.150 nan 0.000 0.509 403 H N 0.432 119.493 119.070 -0.015 0.000 2.524 403 H HA -0.044 4.512 4.556 -0.000 0.000 0.282 403 H C 0.787 175.958 175.328 -0.262 0.000 1.016 403 H CA 1.285 57.196 56.048 -0.229 0.000 1.270 403 H CB 0.136 29.659 29.762 -0.398 0.000 1.394 403 H HN 0.827 nan 8.280 nan 0.000 0.568 404 Q N 1.651 121.514 119.800 0.105 0.000 2.297 404 Q HA 0.097 4.436 4.340 -0.000 0.000 0.267 404 Q C -0.978 175.104 176.000 0.136 0.000 1.006 404 Q CA -0.235 55.672 55.803 0.174 0.000 0.896 404 Q CB 0.785 29.648 28.738 0.209 0.000 1.186 404 Q HN -0.045 nan 8.270 nan 0.000 0.392 405 D N 4.146 124.649 120.400 0.171 0.000 2.468 405 D HA 0.092 4.732 4.640 -0.000 0.000 0.218 405 D C 0.026 176.400 176.300 0.123 0.000 1.155 405 D CA 0.068 54.154 54.000 0.143 0.000 0.924 405 D CB 0.900 41.815 40.800 0.192 0.000 1.029 405 D HN 0.778 nan 8.370 nan 0.000 0.515 406 T N -1.577 113.035 114.554 0.097 0.000 3.475 406 T HA 0.395 4.745 4.350 -0.000 0.000 0.310 406 T C 0.685 175.421 174.700 0.059 0.000 0.963 406 T CA -0.679 61.470 62.100 0.083 0.000 0.985 406 T CB 0.367 69.292 68.868 0.095 0.000 1.198 406 T HN 0.183 nan 8.240 nan 0.000 0.508 407 G N 0.928 109.753 108.800 0.042 0.000 2.671 407 G HA2 0.757 4.717 3.960 -0.000 0.000 0.275 407 G HA3 0.757 4.717 3.960 -0.000 0.000 0.275 407 G C -0.849 174.047 174.900 -0.006 0.000 1.368 407 G CA -0.977 44.122 45.100 -0.003 0.000 1.044 407 G HN 0.271 nan 8.290 nan 0.000 0.543 408 R N -1.384 119.090 120.500 -0.042 0.000 2.807 408 R HA 0.297 4.637 4.340 -0.000 0.000 0.276 408 R C -1.891 174.426 176.300 0.028 0.000 0.979 408 R CA -0.814 55.275 56.100 -0.018 0.000 0.928 408 R CB 1.916 32.165 30.300 -0.085 0.000 1.191 408 R HN 0.634 nan 8.270 nan 0.000 0.471 409 Y N 3.227 123.486 120.300 -0.068 0.000 2.842 409 Y HA 0.269 4.819 4.550 -0.000 0.000 0.334 409 Y C -1.718 174.150 175.900 -0.052 0.000 1.019 409 Y CA -2.082 55.981 58.100 -0.062 0.000 1.258 409 Y CB 1.378 39.830 38.460 -0.012 0.000 1.106 409 Y HN 0.394 nan 8.280 nan 0.000 0.545 410 P HA -0.248 nan 4.420 nan 0.000 0.216 410 P C 0.877 177.964 177.300 -0.356 0.000 1.154 410 P CA 1.834 64.743 63.100 -0.318 0.000 0.865 410 P CB 0.423 31.921 31.700 -0.338 0.000 0.789 411 E N -1.060 118.731 120.200 -0.682 0.000 2.273 411 E HA -0.112 4.238 4.350 -0.000 0.000 0.198 411 E C 2.083 178.546 176.600 -0.228 0.000 1.002 411 E CA 1.486 57.572 56.400 -0.525 0.000 0.828 411 E CB -1.167 28.072 29.700 -0.769 0.000 0.747 411 E HN 0.326 nan 8.360 nan 0.000 0.491 412 G N -0.045 108.660 108.800 -0.158 0.000 2.939 412 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.210 412 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.210 412 G C 0.134 175.203 174.900 0.282 0.000 1.160 412 G CA -0.283 44.938 45.100 0.203 0.000 0.770 412 G HN 0.078 nan 8.290 nan 0.000 0.543 413 D N 0.046 120.532 120.400 0.144 0.000 2.360 413 D HA 0.449 5.089 4.640 -0.000 0.000 0.242 413 D C -0.099 176.429 176.300 0.381 0.000 1.184 413 D CA 0.268 54.364 54.000 0.160 0.000 0.930 413 D CB 1.162 41.994 40.800 0.053 0.000 1.161 413 D HN 0.453 nan 8.370 nan 0.000 0.447 414 W N -0.552 120.865 121.300 0.194 0.000 3.173 414 W HA 0.516 5.176 4.660 -0.000 0.000 0.313 414 W C -2.519 174.023 176.519 0.039 0.000 1.228 414 W CA -0.804 56.629 57.345 0.147 0.000 1.185 414 W CB 0.161 29.669 29.460 0.081 0.000 1.390 414 W HN 0.174 nan 8.180 nan 0.000 0.568 415 I N 3.001 123.659 120.570 0.148 0.000 2.533 415 I HA 0.309 4.479 4.170 -0.000 0.000 0.290 415 I C -0.250 175.975 176.117 0.179 0.000 1.056 415 I CA -1.080 60.206 61.300 -0.024 0.000 1.057 415 I CB 2.101 39.895 38.000 -0.343 0.000 1.240 415 I HN 0.535 nan 8.210 nan 0.000 0.423 416 Q N 3.786 123.715 119.800 0.214 0.000 2.359 416 Q HA 0.372 4.712 4.340 -0.000 0.000 0.275 416 Q C -0.589 175.505 176.000 0.155 0.000 1.082 416 Q CA -0.992 54.956 55.803 0.242 0.000 0.849 416 Q CB 2.417 31.403 28.738 0.413 0.000 1.377 416 Q HN 0.494 nan 8.270 nan 0.000 0.452 417 N N 0.965 119.748 118.700 0.138 0.000 2.530 417 N HA 0.008 4.748 4.740 -0.000 0.000 0.273 417 N C 0.709 176.309 175.510 0.149 0.000 1.173 417 N CA 0.025 53.138 53.050 0.104 0.000 0.967 417 N CB 0.862 39.395 38.487 0.076 0.000 1.109 417 N HN 0.500 nan 8.380 nan 0.000 0.453 418 I N 2.598 123.230 120.570 0.103 0.000 2.300 418 I HA -0.303 3.867 4.170 -0.000 0.000 0.252 418 I C 1.916 178.120 176.117 0.145 0.000 1.119 418 I CA 0.938 62.297 61.300 0.098 0.000 1.384 418 I CB -0.785 37.247 38.000 0.053 0.000 1.062 418 I HN 0.543 nan 8.210 nan 0.000 0.426 419 N N 0.693 119.477 118.700 0.139 0.000 2.272 419 N HA -0.240 4.500 4.740 -0.000 0.000 0.185 419 N C 0.850 176.513 175.510 0.255 0.000 1.014 419 N CA 0.884 54.024 53.050 0.149 0.000 0.870 419 N CB -0.365 38.181 38.487 0.099 0.000 0.975 419 N HN 0.359 nan 8.380 nan 0.000 0.433 420 F N 1.131 121.121 119.950 0.066 0.000 2.943 420 F HA -0.253 4.274 4.527 -0.000 0.000 0.258 420 F C -0.633 175.225 175.800 0.096 0.000 0.995 420 F CA -0.198 57.855 58.000 0.088 0.000 0.896 420 F CB -1.682 37.382 39.000 0.107 0.000 0.821 420 F HN -0.003 nan 8.300 nan 0.000 0.828 421 N N 3.169 121.869 118.700 -0.001 0.000 2.663 421 N HA 0.128 4.868 4.740 -0.000 0.000 0.250 421 N C 1.297 176.706 175.510 -0.168 0.000 1.129 421 N CA -0.364 52.662 53.050 -0.041 0.000 0.995 421 N CB 0.798 39.286 38.487 0.002 0.000 1.324 421 N HN 0.385 nan 8.380 nan 0.000 0.512 422 L N 2.642 123.685 121.223 -0.300 0.000 2.189 422 L HA -0.079 4.261 4.340 -0.000 0.000 0.214 422 L C -0.858 175.850 176.870 -0.269 0.000 1.097 422 L CA 1.411 55.973 54.840 -0.462 0.000 0.764 422 L CB -1.226 40.430 42.059 -0.671 0.000 0.900 422 L HN 0.361 nan 8.230 nan 0.000 0.436 423 P HA 0.002 nan 4.420 nan 0.000 0.271 423 P C -0.042 177.179 177.300 -0.132 0.000 1.601 423 P CA 0.052 63.072 63.100 -0.134 0.000 0.856 423 P CB -0.616 31.035 31.700 -0.081 0.000 1.820 424 V N 0.985 120.798 119.914 -0.168 0.000 2.742 424 V HA -0.138 3.982 4.120 -0.000 0.000 0.302 424 V C 0.631 176.668 176.094 -0.094 0.000 1.133 424 V CA 1.085 63.307 62.300 -0.130 0.000 1.284 424 V CB -0.195 31.540 31.823 -0.147 0.000 0.850 424 V HN 0.347 nan 8.190 nan 0.000 0.494 425 T N 6.539 121.056 114.554 -0.063 0.000 2.918 425 T HA 0.048 4.398 4.350 -0.000 0.000 0.302 425 T C 1.263 175.939 174.700 -0.041 0.000 1.045 425 T CA 0.508 62.581 62.100 -0.045 0.000 1.114 425 T CB 0.685 69.535 68.868 -0.029 0.000 0.965 425 T HN 0.917 nan 8.240 nan 0.000 0.540 426 N N 1.919 120.597 118.700 -0.037 0.000 2.094 426 N HA -0.162 4.578 4.740 -0.000 0.000 0.191 426 N C 1.252 176.750 175.510 -0.021 0.000 1.023 426 N CA 1.625 54.656 53.050 -0.031 0.000 0.857 426 N CB -0.105 38.366 38.487 -0.026 0.000 1.013 426 N HN 0.537 nan 8.380 nan 0.000 0.426 427 D N -0.766 119.624 120.400 -0.016 0.000 2.348 427 D HA -0.042 4.598 4.640 -0.000 0.000 0.216 427 D C 0.306 176.603 176.300 -0.006 0.000 0.970 427 D CA 0.692 54.686 54.000 -0.010 0.000 0.889 427 D CB -0.293 40.503 40.800 -0.007 0.000 0.912 427 D HN 0.556 nan 8.370 nan 0.000 0.524 428 N N -0.151 118.547 118.700 -0.005 0.000 2.214 428 N HA 0.057 4.797 4.740 -0.000 0.000 0.214 428 N C -0.333 175.190 175.510 0.022 0.000 1.132 428 N CA -0.207 52.849 53.050 0.010 0.000 0.856 428 N CB 1.396 39.891 38.487 0.014 0.000 1.020 428 N HN -0.045 nan 8.380 nan 0.000 0.509 429 V N -1.601 118.318 119.914 0.008 0.000 3.007 429 V HA 0.600 4.720 4.120 -0.000 0.000 0.311 429 V C -1.152 174.940 176.094 -0.004 0.000 1.120 429 V CA -1.193 61.124 62.300 0.028 0.000 0.980 429 V CB 2.336 34.168 31.823 0.016 0.000 1.033 429 V HN -0.153 nan 8.190 nan 0.000 0.429 430 L N 3.474 124.682 121.223 -0.025 0.000 2.345 430 L HA 0.752 5.092 4.340 -0.000 0.000 0.274 430 L C -1.010 175.873 176.870 0.022 0.000 0.999 430 L CA -0.123 54.663 54.840 -0.089 0.000 0.849 430 L CB 0.978 42.853 42.059 -0.308 0.000 1.220 430 L HN 0.731 nan 8.230 nan 0.000 0.422 431 L N 7.058 128.348 121.223 0.112 0.000 2.387 431 L HA 0.627 4.967 4.340 -0.000 0.000 0.266 431 L C -1.400 175.617 176.870 0.244 0.000 1.059 431 L CA -1.764 53.194 54.840 0.197 0.000 0.801 431 L CB 0.584 42.698 42.059 0.091 0.000 1.223 431 L HN 0.415 nan 8.230 nan 0.000 0.456 432 P HA -0.028 nan 4.420 nan 0.000 0.239 432 P C 0.585 177.903 177.300 0.029 0.000 1.184 432 P CA 0.819 63.947 63.100 0.046 0.000 0.760 432 P CB 0.266 31.944 31.700 -0.036 0.000 0.884 433 T N -1.474 113.110 114.554 0.051 0.000 3.039 433 T HA 0.041 4.391 4.350 -0.000 0.000 0.250 433 T C 0.617 175.333 174.700 0.027 0.000 1.052 433 T CA 0.204 62.319 62.100 0.025 0.000 1.125 433 T CB -0.196 68.682 68.868 0.017 0.000 0.908 433 T HN 0.134 nan 8.240 nan 0.000 0.473 434 D N 3.230 123.659 120.400 0.047 0.000 2.383 434 D HA 0.198 4.838 4.640 -0.000 0.000 0.252 434 D C -2.542 173.781 176.300 0.039 0.000 1.166 434 D CA -1.293 52.729 54.000 0.037 0.000 0.879 434 D CB 1.044 41.867 40.800 0.039 0.000 1.164 434 D HN 0.146 nan 8.370 nan 0.000 0.462 435 P HA 0.161 nan 4.420 nan 0.000 0.276 435 P C -0.255 177.056 177.300 0.017 0.000 1.230 435 P CA -0.354 62.752 63.100 0.011 0.000 0.776 435 P CB 0.866 32.566 31.700 -0.001 0.000 0.888 436 I N 2.217 122.797 120.570 0.017 0.000 2.392 436 I HA 0.285 4.455 4.170 -0.000 0.000 0.295 436 I C 1.490 177.614 176.117 0.011 0.000 0.985 436 I CA -0.105 61.209 61.300 0.023 0.000 1.221 436 I CB 0.392 38.413 38.000 0.035 0.000 1.366 436 I HN 0.694 nan 8.210 nan 0.000 0.467 437 G N 4.640 113.447 108.800 0.013 0.000 2.258 437 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.274 437 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.274 437 G C 1.081 175.981 174.900 0.000 0.000 1.021 437 G CA 0.897 46.003 45.100 0.009 0.000 0.798 437 G HN 1.609 nan 8.290 nan 0.000 0.507 438 G N -1.691 107.108 108.800 -0.002 0.000 2.189 438 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.267 438 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.267 438 G C 0.471 175.360 174.900 -0.019 0.000 0.975 438 G CA 1.111 46.206 45.100 -0.009 0.000 0.644 438 G HN 0.957 nan 8.290 nan 0.000 0.537 439 K N 0.761 121.149 120.400 -0.020 0.000 2.258 439 K HA 0.495 4.815 4.320 -0.000 0.000 0.284 439 K C 1.442 178.026 176.600 -0.028 0.000 1.051 439 K CA 0.032 56.299 56.287 -0.033 0.000 0.923 439 K CB 1.078 33.557 32.500 -0.034 0.000 1.046 439 K HN 0.099 nan 8.250 nan 0.000 0.474 440 T N 0.961 115.495 114.554 -0.032 0.000 2.867 440 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 440 T C 1.457 176.141 174.700 -0.026 0.000 1.057 440 T CA 1.702 63.787 62.100 -0.025 0.000 1.136 440 T CB 0.128 68.981 68.868 -0.026 0.000 0.874 440 T HN 0.775 nan 8.240 nan 0.000 0.466 441 G N 0.263 109.044 108.800 -0.032 0.000 3.233 441 G HA2 0.329 4.289 3.960 -0.000 0.000 0.234 441 G HA3 0.329 4.289 3.960 -0.000 0.000 0.234 441 G C 0.139 175.006 174.900 -0.054 0.000 1.137 441 G CA -0.235 44.844 45.100 -0.035 0.000 0.763 441 G HN 0.317 nan 8.290 nan 0.000 0.549 442 I N 2.266 122.804 120.570 -0.052 0.000 2.436 442 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 442 I C -0.855 175.230 176.117 -0.053 0.000 1.010 442 I CA -1.198 60.059 61.300 -0.073 0.000 1.098 442 I CB 1.127 39.095 38.000 -0.054 0.000 1.266 442 I HN 0.195 nan 8.210 nan 0.000 0.434 443 N N 5.108 123.761 118.700 -0.078 0.000 2.545 443 N HA 0.174 4.914 4.740 -0.000 0.000 0.289 443 N C 0.792 176.285 175.510 -0.028 0.000 1.279 443 N CA -0.585 52.449 53.050 -0.027 0.000 0.824 443 N CB 1.389 39.856 38.487 -0.033 0.000 1.395 443 N HN 0.541 nan 8.380 nan 0.000 0.526 444 Y N -0.298 119.964 120.300 -0.064 0.000 2.193 444 Y HA -0.207 4.343 4.550 -0.000 0.000 0.285 444 Y C 2.378 178.242 175.900 -0.060 0.000 1.166 444 Y CA 2.231 60.283 58.100 -0.080 0.000 1.181 444 Y CB -1.282 37.090 38.460 -0.147 0.000 0.976 444 Y HN 0.646 nan 8.280 nan 0.000 0.520 445 T N -1.761 112.261 114.554 -0.886 0.000 2.849 445 T HA -0.224 4.126 4.350 -0.000 0.000 0.270 445 T C 1.344 176.074 174.700 0.050 0.000 1.066 445 T CA 1.712 63.510 62.100 -0.503 0.000 1.130 445 T CB -0.958 67.717 68.868 -0.322 0.000 0.864 445 T HN 0.596 nan 8.240 nan 0.000 0.481 446 N N 0.626 119.221 118.700 -0.174 0.000 2.381 446 N HA 0.080 4.820 4.740 -0.000 0.000 0.182 446 N C 1.440 176.922 175.510 -0.047 0.000 1.025 446 N CA 0.839 53.672 53.050 -0.362 0.000 0.888 446 N CB -0.096 38.112 38.487 -0.464 0.000 0.965 446 N HN 0.343 nan 8.380 nan 0.000 0.438 447 I N -0.439 120.165 120.570 0.056 0.000 3.081 447 I HA 0.041 4.211 4.170 -0.000 0.000 0.274 447 I C 0.439 176.706 176.117 0.250 0.000 1.178 447 I CA 0.043 61.423 61.300 0.134 0.000 1.460 447 I CB -0.831 37.252 38.000 0.139 0.000 1.137 447 I HN 0.040 nan 8.210 nan 0.000 0.443 448 F N 3.546 123.554 119.950 0.098 0.000 2.629 448 F HA 0.002 4.529 4.527 -0.000 0.000 0.369 448 F C 0.787 176.654 175.800 0.112 0.000 1.125 448 F CA 0.390 58.467 58.000 0.128 0.000 1.330 448 F CB -0.035 39.025 39.000 0.101 0.000 1.071 448 F HN 0.094 nan 8.300 nan 0.000 0.595 449 N N 2.357 120.983 118.700 -0.123 0.000 2.519 449 N HA 0.134 4.874 4.740 -0.000 0.000 0.291 449 N C -0.465 174.865 175.510 -0.300 0.000 1.107 449 N CA -0.054 52.921 53.050 -0.125 0.000 0.904 449 N CB 1.430 39.950 38.487 0.054 0.000 1.500 449 N HN 0.613 nan 8.380 nan 0.000 0.510 450 T N 0.002 114.409 114.554 -0.245 0.000 3.174 450 T HA 0.127 4.477 4.350 -0.000 0.000 0.269 450 T C 0.401 175.131 174.700 0.049 0.000 1.017 450 T CA -0.255 61.725 62.100 -0.201 0.000 0.899 450 T CB -0.608 68.091 68.868 -0.282 0.000 1.077 450 T HN 0.385 nan 8.240 nan 0.000 0.552 451 Y N 2.290 122.609 120.300 0.032 0.000 2.610 451 Y HA 0.495 5.045 4.550 -0.000 0.000 0.332 451 Y C 0.612 176.469 175.900 -0.072 0.000 1.201 451 Y CA 0.375 58.452 58.100 -0.037 0.000 1.465 451 Y CB 0.058 38.445 38.460 -0.123 0.000 1.283 451 Y HN 0.462 nan 8.280 nan 0.000 0.563 452 G N 4.973 113.381 108.800 -0.654 0.000 2.548 452 G HA2 0.283 4.243 3.960 -0.000 0.000 0.301 452 G HA3 0.283 4.243 3.960 -0.000 0.000 0.301 452 G C -2.493 172.103 174.900 -0.508 0.000 1.349 452 G CA -1.007 43.785 45.100 -0.513 0.000 0.792 452 G HN 0.288 nan 8.290 nan 0.000 0.481 453 P HA -0.015 nan 4.420 nan 0.000 0.220 453 P C 1.413 178.605 177.300 -0.180 0.000 1.144 453 P CA 0.926 63.894 63.100 -0.221 0.000 0.800 453 P CB 0.145 31.758 31.700 -0.145 0.000 0.772 454 L N -2.574 118.547 121.223 -0.171 0.000 2.628 454 L HA 0.121 4.461 4.340 -0.000 0.000 0.229 454 L C 0.478 177.279 176.870 -0.114 0.000 1.137 454 L CA -0.018 54.747 54.840 -0.125 0.000 0.909 454 L CB -0.552 41.445 42.059 -0.102 0.000 1.137 454 L HN -0.195 nan 8.230 nan 0.000 0.470 455 T N 1.688 116.150 114.554 -0.153 0.000 2.799 455 T HA 0.426 4.776 4.350 -0.000 0.000 0.296 455 T C 0.361 175.043 174.700 -0.030 0.000 0.947 455 T CA -0.158 61.897 62.100 -0.076 0.000 1.141 455 T CB 1.120 69.936 68.868 -0.086 0.000 0.891 455 T HN 0.282 nan 8.240 nan 0.000 0.533 456 A N 3.525 126.345 122.820 -0.000 0.000 2.320 456 A HA 0.905 5.225 4.320 -0.000 0.000 0.334 456 A C -0.841 176.771 177.584 0.047 0.000 1.147 456 A CA -0.637 51.403 52.037 0.005 0.000 0.820 456 A CB 0.959 19.947 19.000 -0.021 0.000 1.218 456 A HN 0.685 nan 8.150 nan 0.000 0.482 457 L N 0.968 122.218 121.223 0.046 0.000 2.869 457 L HA 0.495 4.835 4.340 -0.000 0.000 0.265 457 L C -1.696 175.209 176.870 0.058 0.000 1.011 457 L CA -0.381 54.502 54.840 0.072 0.000 0.913 457 L CB 2.107 44.213 42.059 0.078 0.000 1.490 457 L HN 0.751 nan 8.230 nan 0.000 0.410 458 N N 1.325 120.068 118.700 0.072 0.000 2.362 458 N HA 0.411 5.151 4.740 -0.000 0.000 0.299 458 N C -1.126 174.421 175.510 0.061 0.000 1.170 458 N CA -0.650 52.437 53.050 0.062 0.000 0.825 458 N CB 1.602 40.134 38.487 0.075 0.000 1.299 458 N HN 0.620 nan 8.380 nan 0.000 0.502 459 N N 0.007 118.732 118.700 0.042 0.000 2.467 459 N HA 0.121 4.861 4.740 -0.000 0.000 0.262 459 N C -0.477 175.062 175.510 0.047 0.000 1.234 459 N CA -0.165 52.903 53.050 0.031 0.000 0.952 459 N CB 0.862 39.347 38.487 -0.004 0.000 1.158 459 N HN 0.132 nan 8.380 nan 0.000 0.463 460 V N 3.832 123.775 119.914 0.049 0.000 2.763 460 V HA 0.131 4.251 4.120 -0.000 0.000 0.306 460 V C -1.646 174.478 176.094 0.050 0.000 1.059 460 V CA -0.739 61.601 62.300 0.066 0.000 1.138 460 V CB 0.661 32.528 31.823 0.073 0.000 0.940 460 V HN 0.690 nan 8.190 nan 0.000 0.489 461 P HA 0.373 nan 4.420 nan 0.000 0.279 461 P C -2.869 174.431 177.300 0.001 0.000 1.252 461 P CA -2.243 60.894 63.100 0.062 0.000 0.811 461 P CB 0.588 32.382 31.700 0.158 0.000 1.035 462 P HA 0.092 nan 4.420 nan 0.000 0.271 462 P C -0.605 176.586 177.300 -0.181 0.000 1.216 462 P CA 0.218 63.312 63.100 -0.010 0.000 0.771 462 P CB 0.313 31.927 31.700 -0.142 0.000 0.864 463 V N 5.096 124.879 119.914 -0.219 0.000 2.293 463 V HA 0.182 4.302 4.120 -0.000 0.000 0.275 463 V C -0.441 175.462 176.094 -0.319 0.000 1.021 463 V CA -0.605 61.472 62.300 -0.371 0.000 0.815 463 V CB -0.101 31.431 31.823 -0.485 0.000 1.025 463 V HN 0.436 nan 8.190 nan 0.000 0.448 464 Y N 9.156 129.121 120.300 -0.558 0.000 2.304 464 Y HA 0.491 5.041 4.550 -0.000 0.000 0.328 464 Y C -1.648 173.993 175.900 -0.432 0.000 1.123 464 Y CA -1.789 55.833 58.100 -0.797 0.000 1.218 464 Y CB 2.207 39.618 38.460 -1.748 0.000 1.207 464 Y HN 0.421 nan 8.280 nan 0.000 0.495 465 P HA 0.068 nan 4.420 nan 0.000 0.281 465 P C -0.190 176.779 177.300 -0.552 0.000 1.291 465 P CA 0.503 62.785 63.100 -1.362 0.000 0.906 465 P CB 0.689 31.341 31.700 -1.748 0.000 1.388 466 N N 0.624 119.119 118.700 -0.342 0.000 2.459 466 N HA -0.020 4.720 4.740 -0.000 0.000 0.181 466 N C 1.320 176.730 175.510 -0.167 0.000 1.046 466 N CA 0.506 53.434 53.050 -0.202 0.000 0.904 466 N CB -0.078 38.199 38.487 -0.349 0.000 0.964 466 N HN 0.175 nan 8.380 nan 0.000 0.444 467 G N 0.762 109.451 108.800 -0.184 0.000 2.527 467 G HA2 0.059 4.019 3.960 -0.000 0.000 0.248 467 G HA3 0.059 4.019 3.960 -0.000 0.000 0.248 467 G C -0.115 174.854 174.900 0.116 0.000 1.231 467 G CA -0.295 44.838 45.100 0.055 0.000 0.838 467 G HN 0.157 nan 8.290 nan 0.000 0.570 468 Q N 0.441 120.297 119.800 0.094 0.000 2.340 468 Q HA 0.273 4.613 4.340 -0.000 0.000 0.249 468 Q C 0.692 176.611 176.000 -0.135 0.000 0.957 468 Q CA -0.454 55.303 55.803 -0.077 0.000 0.882 468 Q CB 0.803 29.528 28.738 -0.021 0.000 1.235 468 Q HN 0.532 nan 8.270 nan 0.000 0.439 469 I N 1.597 121.925 120.570 -0.405 0.000 2.499 469 I HA 0.071 4.241 4.170 -0.000 0.000 0.243 469 I C 0.309 176.517 176.117 0.152 0.000 1.085 469 I CA 0.301 61.388 61.300 -0.355 0.000 1.422 469 I CB 0.032 37.650 38.000 -0.637 0.000 1.165 469 I HN 0.670 nan 8.210 nan 0.000 0.440 470 W N 0.217 121.517 121.300 -0.000 0.000 2.850 470 W HA 0.726 5.386 4.660 -0.000 0.000 0.349 470 W C -1.454 175.164 176.519 0.165 0.000 1.133 470 W CA -0.878 56.520 57.345 0.089 0.000 1.117 470 W CB 0.580 30.011 29.460 -0.048 0.000 1.442 470 W HN -0.224 nan 8.180 nan 0.000 0.575 471 D N 0.541 121.204 120.400 0.438 0.000 2.736 471 D HA 0.238 4.878 4.640 -0.000 0.000 0.223 471 D C -1.518 174.895 176.300 0.189 0.000 1.231 471 D CA -0.809 53.414 54.000 0.372 0.000 0.818 471 D CB 2.239 43.254 40.800 0.359 0.000 1.587 471 D HN 0.503 nan 8.370 nan 0.000 0.463 472 K N 1.428 121.749 120.400 -0.131 0.000 2.237 472 K HA 0.275 4.595 4.320 -0.000 0.000 0.270 472 K C -0.294 176.354 176.600 0.080 0.000 1.015 472 K CA -0.419 55.696 56.287 -0.286 0.000 0.949 472 K CB 0.870 32.838 32.500 -0.887 0.000 0.976 472 K HN 0.353 nan 8.250 nan 0.000 0.472 473 E N 2.719 122.963 120.200 0.073 0.000 2.343 473 E HA 0.123 4.473 4.350 -0.000 0.000 0.269 473 E C -0.932 175.880 176.600 0.354 0.000 1.047 473 E CA -0.388 56.114 56.400 0.169 0.000 0.874 473 E CB 0.373 30.105 29.700 0.054 0.000 1.033 473 E HN 0.268 nan 8.360 nan 0.000 0.409 474 F N 1.937 121.993 119.950 0.176 0.000 2.563 474 F HA 0.066 4.593 4.527 -0.000 0.000 0.363 474 F C 1.168 177.009 175.800 0.068 0.000 1.123 474 F CA -0.269 57.790 58.000 0.099 0.000 1.307 474 F CB 0.280 39.322 39.000 0.070 0.000 1.115 474 F HN 0.477 nan 8.300 nan 0.000 0.592 475 D N 1.357 121.890 120.400 0.222 0.000 3.134 475 D HA 0.070 4.710 4.640 -0.000 0.000 0.248 475 D C -0.039 176.326 176.300 0.108 0.000 1.273 475 D CA -0.046 54.033 54.000 0.131 0.000 0.904 475 D CB -0.265 40.586 40.800 0.086 0.000 1.089 475 D HN 0.489 nan 8.370 nan 0.000 0.478 476 T N -3.083 111.558 114.554 0.145 0.000 2.925 476 T HA 0.251 4.601 4.350 -0.000 0.000 0.285 476 T C 1.102 175.856 174.700 0.090 0.000 1.021 476 T CA -0.864 61.300 62.100 0.107 0.000 1.042 476 T CB 1.746 70.696 68.868 0.137 0.000 1.037 476 T HN -0.155 nan 8.240 nan 0.000 0.481 477 D N 0.725 121.163 120.400 0.064 0.000 2.149 477 D HA -0.039 4.601 4.640 -0.000 0.000 0.198 477 D C 0.561 176.894 176.300 0.054 0.000 0.990 477 D CA 1.247 55.278 54.000 0.051 0.000 0.839 477 D CB 0.037 40.860 40.800 0.038 0.000 0.948 477 D HN 0.475 nan 8.370 nan 0.000 0.460 478 L N 1.642 122.902 121.223 0.062 0.000 2.305 478 L HA 0.271 4.611 4.340 -0.000 0.000 0.284 478 L C 0.237 177.151 176.870 0.073 0.000 1.013 478 L CA -0.805 54.070 54.840 0.058 0.000 0.819 478 L CB 1.705 43.795 42.059 0.050 0.000 1.227 478 L HN -0.288 nan 8.230 nan 0.000 0.417 479 K N 2.570 123.007 120.400 0.061 0.000 2.095 479 K HA 0.621 4.941 4.320 -0.000 0.000 0.252 479 K C -2.417 174.196 176.600 0.022 0.000 0.977 479 K CA -1.901 54.420 56.287 0.056 0.000 0.900 479 K CB 0.689 33.219 32.500 0.049 0.000 1.060 479 K HN 0.216 nan 8.250 nan 0.000 0.449 480 P HA 0.272 nan 4.420 nan 0.000 0.275 480 P C 0.221 177.515 177.300 -0.010 0.000 1.228 480 P CA -0.415 62.661 63.100 -0.041 0.000 0.786 480 P CB 0.583 32.201 31.700 -0.136 0.000 0.927 481 R N 1.076 121.567 120.500 -0.014 0.000 2.316 481 R HA 0.129 4.468 4.340 -0.000 0.000 0.202 481 R C 0.744 177.044 176.300 -0.000 0.000 1.029 481 R CA 0.591 56.689 56.100 -0.003 0.000 1.018 481 R CB -0.671 29.629 30.300 -0.001 0.000 0.888 481 R HN 0.502 nan 8.270 nan 0.000 0.471 482 L N -5.306 115.931 121.223 0.022 0.000 3.133 482 L HA 0.401 4.741 4.340 -0.000 0.000 0.280 482 L C -1.510 175.471 176.870 0.184 0.000 1.009 482 L CA -1.193 53.675 54.840 0.048 0.000 0.982 482 L CB 1.603 43.679 42.059 0.028 0.000 1.530 482 L HN -0.150 nan 8.230 nan 0.000 0.394 483 H N -0.841 118.190 119.070 -0.066 0.000 2.679 483 H HA 0.537 5.093 4.556 -0.000 0.000 0.367 483 H C -0.103 175.220 175.328 -0.008 0.000 1.162 483 H CA -0.932 55.077 56.048 -0.066 0.000 1.181 483 H CB 2.813 32.545 29.762 -0.051 0.000 1.693 483 H HN 0.449 nan 8.280 nan 0.000 0.538 484 V N 1.340 121.319 119.914 0.109 0.000 3.354 484 V HA -0.143 3.977 4.120 -0.000 0.000 0.258 484 V C 1.549 177.706 176.094 0.105 0.000 1.159 484 V CA 1.563 63.915 62.300 0.087 0.000 1.125 484 V CB -0.535 31.318 31.823 0.050 0.000 0.774 484 V HN 0.745 nan 8.190 nan 0.000 0.464 485 N N 1.187 119.965 118.700 0.130 0.000 2.333 485 N HA 0.219 4.959 4.740 -0.000 0.000 0.178 485 N C 0.535 176.146 175.510 0.167 0.000 1.018 485 N CA 0.781 53.916 53.050 0.140 0.000 0.882 485 N CB 0.182 38.754 38.487 0.141 0.000 0.984 485 N HN 0.423 nan 8.380 nan 0.000 0.434 486 A N 0.358 123.282 122.820 0.174 0.000 2.572 486 A HA 0.424 4.744 4.320 -0.000 0.000 0.295 486 A C -2.209 175.440 177.584 0.109 0.000 1.072 486 A CA -1.401 50.735 52.037 0.165 0.000 0.691 486 A CB 1.494 20.593 19.000 0.166 0.000 1.291 486 A HN -0.030 nan 8.150 nan 0.000 0.404 487 P HA 0.105 nan 4.420 nan 0.000 0.224 487 P C -0.164 176.963 177.300 -0.288 0.000 1.157 487 P CA 0.845 63.846 63.100 -0.165 0.000 0.799 487 P CB 0.094 31.623 31.700 -0.284 0.000 0.809 488 F N 0.369 120.402 119.950 0.138 0.000 2.427 488 F HA 0.302 4.829 4.527 -0.000 0.000 0.346 488 F C 0.304 176.140 175.800 0.059 0.000 1.120 488 F CA -1.077 56.971 58.000 0.080 0.000 1.033 488 F CB 1.689 40.725 39.000 0.060 0.000 1.126 488 F HN -0.399 nan 8.300 nan 0.000 0.462 489 V N 2.835 122.845 119.914 0.160 0.000 2.325 489 V HA 0.172 4.292 4.120 -0.000 0.000 0.280 489 V C -0.444 175.691 176.094 0.069 0.000 1.016 489 V CA -1.224 61.082 62.300 0.010 0.000 0.818 489 V CB 0.665 32.313 31.823 -0.292 0.000 1.019 489 V HN 0.922 nan 8.190 nan 0.000 0.434 490 c N 3.836 122.525 118.600 0.148 0.000 2.638 490 c HA 0.202 4.772 4.570 -0.000 0.000 0.410 490 c C 1.777 175.916 174.090 0.083 0.000 1.404 490 c CA -0.525 55.902 56.329 0.163 0.000 1.651 490 c CB -0.406 42.247 42.510 0.238 0.000 2.495 490 c HN 0.852 nan 8.230 nan 0.000 0.606 491 Q N 2.666 122.509 119.800 0.072 0.000 1.922 491 Q HA -0.089 4.251 4.340 -0.000 0.000 0.201 491 Q C 1.995 178.024 176.000 0.050 0.000 0.979 491 Q CA 1.614 57.445 55.803 0.046 0.000 0.841 491 Q CB -0.277 28.484 28.738 0.038 0.000 0.903 491 Q HN 0.788 nan 8.270 nan 0.000 0.431 492 N N 1.357 120.088 118.700 0.051 0.000 2.062 492 N HA -0.096 4.644 4.740 -0.000 0.000 0.191 492 N C 0.104 175.648 175.510 0.057 0.000 1.042 492 N CA 1.028 54.104 53.050 0.044 0.000 0.845 492 N CB -0.135 38.367 38.487 0.027 0.000 1.024 492 N HN 0.370 nan 8.380 nan 0.000 0.424 493 N N -1.203 117.552 118.700 0.092 0.000 2.264 493 N HA 0.386 5.126 4.740 -0.000 0.000 0.288 493 N C -1.437 174.202 175.510 0.215 0.000 1.094 493 N CA -0.650 52.477 53.050 0.128 0.000 0.817 493 N CB 1.291 39.865 38.487 0.145 0.000 1.604 493 N HN -0.038 nan 8.380 nan 0.000 0.473 494 c N 0.375 119.004 118.600 0.048 0.000 2.531 494 c HA 0.706 5.276 4.570 -0.000 0.000 0.369 494 c C -2.198 171.539 174.090 -0.589 0.000 1.258 494 c CA -1.141 55.081 56.329 -0.179 0.000 1.876 494 c CB 1.392 43.837 42.510 -0.108 0.000 2.256 494 c HN 0.652 nan 8.230 nan 0.000 0.510 495 P HA 0.243 nan 4.420 nan 0.000 0.271 495 P C -0.143 177.037 177.300 -0.199 0.000 1.218 495 P CA 0.472 62.995 63.100 -0.963 0.000 0.780 495 P CB 0.307 31.620 31.700 -0.644 0.000 0.901 496 G N 2.092 110.821 108.800 -0.118 0.000 2.503 496 G HA2 0.156 4.116 3.960 -0.000 0.000 0.257 496 G HA3 0.156 4.116 3.960 -0.000 0.000 0.257 496 G C -0.540 174.362 174.900 0.004 0.000 1.214 496 G CA -0.529 44.569 45.100 -0.004 0.000 0.839 496 G HN 0.442 nan 8.290 nan 0.000 0.559 497 Q N -0.419 119.334 119.800 -0.078 0.000 2.327 497 Q HA 0.236 4.576 4.340 -0.000 0.000 0.254 497 Q C -0.758 174.858 176.000 -0.639 0.000 0.952 497 Q CA -0.566 55.014 55.803 -0.372 0.000 0.884 497 Q CB 2.037 30.421 28.738 -0.590 0.000 1.224 497 Q HN 0.314 nan 8.270 nan 0.000 0.422 498 L N 3.398 124.271 121.223 -0.583 0.000 2.257 498 L HA 0.411 4.751 4.340 -0.000 0.000 0.290 498 L C -1.526 174.975 176.870 -0.616 0.000 1.044 498 L CA 0.011 54.601 54.840 -0.416 0.000 0.810 498 L CB 0.180 42.206 42.059 -0.056 0.000 1.193 498 L HN 0.390 nan 8.230 nan 0.000 0.425 499 F N 4.370 124.232 119.950 -0.146 0.000 2.450 499 F HA 0.698 5.225 4.527 -0.000 0.000 0.332 499 F C 0.119 176.003 175.800 0.141 0.000 1.093 499 F CA -0.709 57.244 58.000 -0.079 0.000 1.003 499 F CB 1.885 40.678 39.000 -0.344 0.000 1.151 499 F HN 0.120 nan 8.300 nan 0.000 0.474 500 V N 2.582 122.791 119.914 0.491 0.000 2.876 500 V HA 0.657 4.777 4.120 -0.000 0.000 0.312 500 V C -0.864 175.387 176.094 0.263 0.000 1.085 500 V CA -1.025 61.466 62.300 0.319 0.000 0.945 500 V CB 2.440 34.350 31.823 0.145 0.000 1.017 500 V HN 0.743 nan 8.190 nan 0.000 0.428 501 K N 2.430 122.804 120.400 -0.044 0.000 2.583 501 K HA 0.493 4.813 4.320 -0.000 0.000 0.260 501 K C -1.937 174.499 176.600 -0.273 0.000 0.931 501 K CA -0.558 55.530 56.287 -0.331 0.000 0.849 501 K CB 2.234 34.076 32.500 -1.097 0.000 1.347 501 K HN 0.402 nan 8.250 nan 0.000 0.425 502 V N 3.266 123.061 119.914 -0.198 0.000 2.470 502 V HA 0.257 4.377 4.120 -0.000 0.000 0.276 502 V C 0.695 176.682 176.094 -0.179 0.000 1.040 502 V CA -0.180 62.036 62.300 -0.141 0.000 1.008 502 V CB 0.668 32.442 31.823 -0.082 0.000 0.990 502 V HN 0.859 nan 8.190 nan 0.000 0.477 503 A N 9.010 131.742 122.820 -0.148 0.000 2.483 503 A HA 0.387 4.707 4.320 -0.000 0.000 0.238 503 A C -1.776 175.734 177.584 -0.122 0.000 1.070 503 A CA -0.874 51.079 52.037 -0.139 0.000 0.770 503 A CB -0.289 18.654 19.000 -0.094 0.000 1.008 503 A HN 0.721 nan 8.150 nan 0.000 0.497 504 P HA 0.038 nan 4.420 nan 0.000 0.271 504 P C -0.861 176.370 177.300 -0.114 0.000 1.233 504 P CA -0.113 62.911 63.100 -0.125 0.000 0.764 504 P CB 0.384 31.995 31.700 -0.150 0.000 0.825 505 N N 4.328 122.974 118.700 -0.090 0.000 2.801 505 N HA 0.191 4.931 4.740 -0.000 0.000 0.235 505 N C -0.016 175.450 175.510 -0.073 0.000 1.069 505 N CA -0.342 52.665 53.050 -0.072 0.000 0.946 505 N CB -0.370 38.089 38.487 -0.047 0.000 1.212 505 N HN 0.323 nan 8.380 nan 0.000 0.509 506 L N 0.683 121.842 121.223 -0.107 0.000 2.473 506 L HA 0.205 4.545 4.340 -0.000 0.000 0.268 506 L C 1.556 178.404 176.870 -0.037 0.000 1.215 506 L CA -0.244 54.533 54.840 -0.104 0.000 0.823 506 L CB 0.184 42.126 42.059 -0.195 0.000 1.099 506 L HN 0.407 nan 8.230 nan 0.000 0.483 507 T N -2.530 112.024 114.554 0.001 0.000 2.880 507 T HA 0.118 4.468 4.350 -0.000 0.000 0.279 507 T C 1.009 175.732 174.700 0.039 0.000 0.990 507 T CA -0.500 61.612 62.100 0.020 0.000 0.938 507 T CB 0.712 69.598 68.868 0.031 0.000 1.206 507 T HN 0.718 nan 8.240 nan 0.000 0.573 508 N N -0.315 118.407 118.700 0.036 0.000 2.512 508 N HA -0.108 4.632 4.740 -0.000 0.000 0.183 508 N C 0.061 175.608 175.510 0.062 0.000 1.073 508 N CA 0.297 53.373 53.050 0.043 0.000 0.911 508 N CB -0.186 38.317 38.487 0.028 0.000 0.964 508 N HN 0.713 nan 8.380 nan 0.000 0.447 509 Q N 0.307 120.151 119.800 0.072 0.000 2.506 509 Q HA 0.207 4.547 4.340 -0.000 0.000 0.242 509 Q C -1.780 174.302 176.000 0.138 0.000 1.060 509 Q CA -0.528 55.320 55.803 0.075 0.000 0.826 509 Q CB 0.929 29.693 28.738 0.044 0.000 1.169 509 Q HN 0.283 nan 8.270 nan 0.000 0.521 510 Y N 1.790 122.090 120.300 0.001 0.000 2.391 510 Y HA 0.386 4.936 4.550 -0.000 0.000 0.341 510 Y C -1.462 174.440 175.900 0.003 0.000 0.965 510 Y CA -1.251 56.850 58.100 0.002 0.000 1.067 510 Y CB 1.586 40.047 38.460 0.002 0.000 1.199 510 Y HN 0.378 nan 8.280 nan 0.000 0.450 511 D N 7.936 127.919 120.400 -0.694 0.000 2.473 511 D HA 0.354 4.994 4.640 -0.000 0.000 0.253 511 D C -2.316 173.548 176.300 -0.726 0.000 1.233 511 D CA -2.094 51.574 54.000 -0.553 0.000 0.908 511 D CB 2.572 43.222 40.800 -0.250 0.000 1.170 511 D HN 0.343 nan 8.370 nan 0.000 0.558 512 P HA -0.016 nan 4.420 nan 0.000 0.216 512 P C 0.574 177.767 177.300 -0.180 0.000 1.153 512 P CA 0.643 63.519 63.100 -0.373 0.000 0.844 512 P CB 0.420 32.037 31.700 -0.138 0.000 0.787 513 D N -0.514 119.796 120.400 -0.150 0.000 2.392 513 D HA 0.039 4.679 4.640 -0.000 0.000 0.228 513 D C 0.848 177.100 176.300 -0.080 0.000 1.003 513 D CA 0.491 54.440 54.000 -0.085 0.000 0.917 513 D CB -0.119 40.642 40.800 -0.065 0.000 0.890 513 D HN 0.169 nan 8.370 nan 0.000 0.532 514 A N 0.544 123.297 122.820 -0.111 0.000 2.293 514 A HA 0.352 4.672 4.320 -0.000 0.000 0.302 514 A C 1.351 178.903 177.584 -0.053 0.000 1.119 514 A CA -0.347 51.641 52.037 -0.082 0.000 0.823 514 A CB 0.995 19.935 19.000 -0.100 0.000 1.097 514 A HN 0.080 nan 8.150 nan 0.000 0.491 515 S N 0.730 116.409 115.700 -0.035 0.000 2.470 515 S HA 0.334 4.804 4.470 -0.000 0.000 0.222 515 S C 1.057 175.648 174.600 -0.014 0.000 1.024 515 S CA 0.525 58.712 58.200 -0.020 0.000 0.931 515 S CB -0.479 62.710 63.200 -0.018 0.000 0.791 515 S HN 1.433 nan 8.310 nan 0.000 0.513 516 A N 2.597 125.407 122.820 -0.016 0.000 2.425 516 A HA 0.381 4.701 4.320 -0.000 0.000 0.242 516 A C 0.286 177.873 177.584 0.005 0.000 1.077 516 A CA -0.551 51.482 52.037 -0.008 0.000 0.781 516 A CB -0.090 18.904 19.000 -0.009 0.000 1.020 516 A HN 0.390 nan 8.150 nan 0.000 0.494 517 N N 1.506 120.212 118.700 0.012 0.000 2.454 517 N HA 0.135 4.875 4.740 -0.000 0.000 0.260 517 N C 0.365 175.904 175.510 0.049 0.000 1.218 517 N CA 0.366 53.433 53.050 0.028 0.000 0.904 517 N CB 0.462 38.958 38.487 0.016 0.000 1.065 517 N HN 0.766 nan 8.380 nan 0.000 0.462 518 M N 0.429 120.086 119.600 0.094 0.000 2.250 518 M HA 0.083 4.563 4.480 -0.000 0.000 0.337 518 M C 0.059 176.417 176.300 0.096 0.000 1.161 518 M CA 0.089 55.484 55.300 0.158 0.000 1.088 518 M CB 0.206 32.978 32.600 0.288 0.000 1.639 518 M HN 0.330 nan 8.290 nan 0.000 0.447 519 S N 3.877 119.637 115.700 0.100 0.000 2.442 519 S HA 0.767 5.237 4.470 -0.000 0.000 0.297 519 S C -0.491 174.136 174.600 0.045 0.000 1.131 519 S CA -1.107 57.126 58.200 0.055 0.000 1.092 519 S CB 1.146 64.373 63.200 0.045 0.000 0.998 519 S HN 0.901 nan 8.310 nan 0.000 0.478 520 R N 2.043 122.552 120.500 0.015 0.000 2.771 520 R HA 0.513 4.853 4.340 -0.000 0.000 0.274 520 R C -0.927 175.371 176.300 -0.002 0.000 0.987 520 R CA -0.981 55.115 56.100 -0.007 0.000 0.908 520 R CB 0.413 30.691 30.300 -0.037 0.000 1.213 520 R HN 0.675 nan 8.270 nan 0.000 0.468 521 I N 1.822 122.389 120.570 -0.006 0.000 2.741 521 I HA -0.079 4.091 4.170 -0.000 0.000 0.288 521 I C 0.516 176.642 176.117 0.015 0.000 1.192 521 I CA -0.149 61.153 61.300 0.004 0.000 1.426 521 I CB 0.596 38.596 38.000 -0.001 0.000 1.367 521 I HN 0.211 nan 8.210 nan 0.000 0.563 522 V N 6.928 126.860 119.914 0.031 0.000 2.416 522 V HA -0.020 4.100 4.120 -0.000 0.000 0.267 522 V C 0.567 176.724 176.094 0.105 0.000 1.007 522 V CA 0.602 62.938 62.300 0.060 0.000 1.102 522 V CB -0.666 31.195 31.823 0.063 0.000 1.035 522 V HN 0.777 nan 8.190 nan 0.000 0.473 523 T N 5.547 120.158 114.554 0.096 0.000 2.908 523 T HA 0.789 5.139 4.350 -0.000 0.000 0.290 523 T C -0.743 174.067 174.700 0.182 0.000 1.034 523 T CA -0.414 61.747 62.100 0.102 0.000 1.010 523 T CB 1.805 70.679 68.868 0.009 0.000 1.068 523 T HN 0.677 nan 8.240 nan 0.000 0.481 524 Y N -1.220 119.071 120.300 -0.016 0.000 2.638 524 Y HA 0.815 5.365 4.550 -0.000 0.000 0.335 524 Y C -0.760 175.095 175.900 -0.075 0.000 1.155 524 Y CA -1.141 56.918 58.100 -0.068 0.000 1.046 524 Y CB 1.333 39.745 38.460 -0.080 0.000 1.303 524 Y HN 0.641 nan 8.280 nan 0.000 0.460 525 S N 0.955 116.629 115.700 -0.043 0.000 2.569 525 S HA 0.658 5.128 4.470 -0.000 0.000 0.280 525 S C -2.154 172.427 174.600 -0.031 0.000 1.111 525 S CA -0.611 57.543 58.200 -0.076 0.000 0.887 525 S CB 1.634 64.857 63.200 0.038 0.000 1.095 525 S HN 0.707 nan 8.310 nan 0.000 0.476 526 D N 2.490 122.888 120.400 -0.004 0.000 2.787 526 D HA 0.629 5.269 4.640 -0.000 0.000 0.246 526 D C -0.937 175.381 176.300 0.030 0.000 1.150 526 D CA -0.019 53.934 54.000 -0.078 0.000 0.864 526 D CB 1.458 42.217 40.800 -0.068 0.000 1.481 526 D HN 0.485 nan 8.370 nan 0.000 0.509 527 F N -1.332 118.533 119.950 -0.142 0.000 2.643 527 F HA 0.763 5.290 4.527 -0.000 0.000 0.314 527 F C -1.526 174.145 175.800 -0.215 0.000 1.096 527 F CA -1.408 56.544 58.000 -0.081 0.000 0.953 527 F CB 0.941 39.953 39.000 0.021 0.000 1.345 527 F HN 0.092 nan 8.300 nan 0.000 0.468 528 W N 1.524 122.765 121.300 -0.098 0.000 2.496 528 W HA 0.515 5.175 4.660 -0.000 0.000 0.327 528 W C -1.301 175.203 176.519 -0.025 0.000 1.086 528 W CA -0.470 56.677 57.345 -0.331 0.000 1.222 528 W CB 1.420 30.251 29.460 -1.049 0.000 1.304 528 W HN 0.740 nan 8.180 nan 0.000 0.547 529 W N 4.934 126.353 121.300 0.198 0.000 2.702 529 W HA 0.594 5.254 4.660 -0.000 0.000 0.331 529 W C -1.190 175.532 176.519 0.339 0.000 1.049 529 W CA -1.438 56.099 57.345 0.321 0.000 1.230 529 W CB 1.201 30.799 29.460 0.230 0.000 1.408 529 W HN 0.246 nan 8.180 nan 0.000 0.492 530 K N 4.219 124.237 120.400 -0.636 0.000 2.427 530 K HA 0.758 5.078 4.320 -0.000 0.000 0.252 530 K C -0.666 175.189 176.600 -1.242 0.000 0.931 530 K CA -0.796 55.035 56.287 -0.759 0.000 0.793 530 K CB 1.740 34.129 32.500 -0.185 0.000 1.211 530 K HN 0.719 nan 8.250 nan 0.000 0.426 531 G N 2.263 110.444 108.800 -1.032 0.000 2.574 531 G HA2 0.463 4.423 3.960 -0.000 0.000 0.299 531 G HA3 0.463 4.423 3.960 -0.000 0.000 0.299 531 G C -1.691 173.381 174.900 0.286 0.000 1.298 531 G CA -0.555 44.389 45.100 -0.260 0.000 0.952 531 G HN 0.436 nan 8.290 nan 0.000 0.477 532 K N 1.020 121.645 120.400 0.375 0.000 2.613 532 K HA 0.462 4.782 4.320 -0.000 0.000 0.248 532 K C -1.768 174.909 176.600 0.129 0.000 0.959 532 K CA -0.712 55.720 56.287 0.241 0.000 0.855 532 K CB 1.737 34.255 32.500 0.031 0.000 1.143 532 K HN 0.308 nan 8.250 nan 0.000 0.437 533 L N 5.172 126.307 121.223 -0.146 0.000 2.305 533 L HA 0.461 4.801 4.340 -0.000 0.000 0.284 533 L C -1.345 175.336 176.870 -0.315 0.000 1.013 533 L CA -0.577 53.948 54.840 -0.525 0.000 0.819 533 L CB 1.765 42.947 42.059 -1.462 0.000 1.227 533 L HN 0.310 nan 8.230 nan 0.000 0.417 534 V N 5.693 125.398 119.914 -0.349 0.000 2.417 534 V HA 0.521 4.641 4.120 -0.000 0.000 0.291 534 V C -0.334 175.560 176.094 -0.333 0.000 1.024 534 V CA -0.451 61.733 62.300 -0.193 0.000 0.861 534 V CB 1.261 33.028 31.823 -0.093 0.000 0.985 534 V HN 0.534 nan 8.190 nan 0.000 0.436 535 F N 2.459 122.424 119.950 0.026 0.000 2.594 535 F HA 0.666 5.193 4.527 -0.000 0.000 0.335 535 F C 0.188 176.046 175.800 0.097 0.000 1.058 535 F CA -0.895 57.145 58.000 0.067 0.000 0.981 535 F CB 1.892 40.980 39.000 0.146 0.000 1.289 535 F HN 0.275 nan 8.300 nan 0.000 0.490 536 K N 1.363 121.987 120.400 0.374 0.000 2.579 536 K HA 0.798 5.118 4.320 -0.000 0.000 0.250 536 K C -1.662 175.191 176.600 0.422 0.000 0.952 536 K CA -0.390 56.078 56.287 0.301 0.000 0.857 536 K CB 1.321 33.900 32.500 0.131 0.000 1.123 536 K HN 0.777 nan 8.250 nan 0.000 0.433 537 A N 3.658 126.691 122.820 0.355 0.000 2.386 537 A HA 0.585 4.905 4.320 -0.000 0.000 0.308 537 A C -1.352 176.208 177.584 -0.040 0.000 1.128 537 A CA -0.821 51.349 52.037 0.222 0.000 0.789 537 A CB 1.410 20.468 19.000 0.096 0.000 1.325 537 A HN 0.684 nan 8.150 nan 0.000 0.437 538 K N 1.216 121.376 120.400 -0.400 0.000 2.292 538 K HA 0.559 4.879 4.320 -0.000 0.000 0.257 538 K C -1.377 174.928 176.600 -0.491 0.000 0.940 538 K CA -0.655 55.104 56.287 -0.880 0.000 0.811 538 K CB 0.871 32.534 32.500 -1.395 0.000 1.120 538 K HN 0.539 nan 8.250 nan 0.000 0.428 539 L N 4.648 125.596 121.223 -0.457 0.000 2.456 539 L HA 0.156 4.496 4.340 -0.000 0.000 0.272 539 L C 0.768 177.470 176.870 -0.280 0.000 1.189 539 L CA 0.417 55.067 54.840 -0.318 0.000 0.846 539 L CB 0.447 42.322 42.059 -0.306 0.000 1.111 539 L HN 0.646 nan 8.230 nan 0.000 0.475 540 R N 3.094 123.464 120.500 -0.216 0.000 2.637 540 R HA 0.785 5.125 4.340 -0.000 0.000 0.269 540 R C -0.705 175.487 176.300 -0.180 0.000 1.089 540 R CA -0.524 55.472 56.100 -0.174 0.000 1.177 540 R CB 0.661 30.874 30.300 -0.145 0.000 1.091 540 R HN 0.601 nan 8.270 nan 0.000 0.540 541 A N 0.864 123.576 122.820 -0.180 0.000 2.384 541 A HA 0.416 4.736 4.320 -0.000 0.000 0.312 541 A C -0.887 176.497 177.584 -0.333 0.000 1.113 541 A CA -0.802 51.068 52.037 -0.278 0.000 0.779 541 A CB 1.986 20.769 19.000 -0.363 0.000 1.307 541 A HN 0.705 nan 8.150 nan 0.000 0.436 542 S N -0.484 115.019 115.700 -0.328 0.000 2.399 542 S HA 0.373 4.843 4.470 -0.000 0.000 0.301 542 S C 0.256 174.675 174.600 -0.302 0.000 1.093 542 S CA -0.298 57.756 58.200 -0.243 0.000 1.077 542 S CB -0.310 62.785 63.200 -0.175 0.000 0.980 542 S HN 0.719 nan 8.310 nan 0.000 0.494 543 H N 2.065 121.117 119.070 -0.029 0.000 2.476 543 H HA 0.148 4.704 4.556 -0.000 0.000 0.292 543 H C 1.467 176.812 175.328 0.028 0.000 1.019 543 H CA 1.018 57.064 56.048 -0.003 0.000 1.330 543 H CB 0.284 30.046 29.762 -0.001 0.000 1.451 543 H HN 0.663 nan 8.280 nan 0.000 0.535 544 T N -2.386 112.255 114.554 0.146 0.000 2.824 544 T HA -0.093 4.257 4.350 -0.000 0.000 0.277 544 T C 0.982 175.772 174.700 0.149 0.000 0.975 544 T CA -0.844 61.346 62.100 0.149 0.000 0.966 544 T CB 1.084 70.028 68.868 0.128 0.000 1.054 544 T HN 0.438 nan 8.240 nan 0.000 0.533 545 W N 1.960 123.264 121.300 0.007 0.000 2.539 545 W HA 0.056 4.716 4.660 -0.000 0.000 0.281 545 W C 0.305 176.815 176.519 -0.014 0.000 1.220 545 W CA 0.412 57.754 57.345 -0.005 0.000 1.332 545 W CB -0.512 28.947 29.460 -0.002 0.000 1.095 545 W HN 0.888 nan 8.180 nan 0.000 0.571 546 N N 2.370 121.230 118.700 0.265 0.000 2.503 546 N HA 0.210 4.950 4.740 -0.000 0.000 0.267 546 N C -2.300 173.213 175.510 0.006 0.000 1.214 546 N CA -0.934 52.202 53.050 0.143 0.000 0.959 546 N CB 0.094 38.669 38.487 0.146 0.000 1.142 546 N HN -0.138 nan 8.380 nan 0.000 0.455 547 P HA 0.250 nan 4.420 nan 0.000 0.277 547 P C -0.756 176.521 177.300 -0.039 0.000 1.271 547 P CA -0.385 62.680 63.100 -0.059 0.000 0.795 547 P CB 0.819 32.478 31.700 -0.067 0.000 1.101 548 I N -0.874 119.664 120.570 -0.053 0.000 3.237 548 I HA 0.263 4.433 4.170 -0.000 0.000 0.308 548 I C 0.329 176.411 176.117 -0.058 0.000 1.093 548 I CA -1.477 59.792 61.300 -0.051 0.000 1.001 548 I CB 1.379 39.344 38.000 -0.057 0.000 1.245 548 I HN 0.328 nan 8.210 nan 0.000 0.485 549 Q N 2.945 122.708 119.800 -0.061 0.000 2.296 549 Q HA 0.246 4.586 4.340 -0.000 0.000 0.262 549 Q C -1.412 174.541 176.000 -0.080 0.000 0.981 549 Q CA -0.291 55.469 55.803 -0.072 0.000 0.905 549 Q CB 0.644 29.320 28.738 -0.104 0.000 1.186 549 Q HN 0.371 nan 8.270 nan 0.000 0.399 550 Q N 3.256 123.013 119.800 -0.072 0.000 2.413 550 Q HA 0.305 4.645 4.340 -0.000 0.000 0.276 550 Q C -0.829 175.130 176.000 -0.070 0.000 1.099 550 Q CA -0.656 55.097 55.803 -0.083 0.000 0.814 550 Q CB 2.182 30.866 28.738 -0.089 0.000 1.379 550 Q HN 0.782 nan 8.270 nan 0.000 0.436 551 M N 1.515 121.067 119.600 -0.081 0.000 2.162 551 M HA 0.337 4.817 4.480 -0.000 0.000 0.356 551 M C -0.616 175.632 176.300 -0.087 0.000 1.303 551 M CA 0.322 55.581 55.300 -0.068 0.000 1.116 551 M CB 0.660 33.215 32.600 -0.076 0.000 1.632 551 M HN 0.591 nan 8.290 nan 0.000 0.469 552 S N 4.708 120.366 115.700 -0.069 0.000 2.651 552 S HA 0.626 5.096 4.470 -0.000 0.000 0.279 552 S C -1.200 173.360 174.600 -0.067 0.000 1.148 552 S CA -1.024 57.128 58.200 -0.080 0.000 0.837 552 S CB 1.631 64.794 63.200 -0.062 0.000 1.138 552 S HN 0.846 nan 8.310 nan 0.000 0.478 553 I N 3.359 123.881 120.570 -0.080 0.000 2.331 553 I HA 0.439 4.609 4.170 -0.000 0.000 0.292 553 I C -0.495 175.613 176.117 -0.015 0.000 0.998 553 I CA -0.539 60.736 61.300 -0.041 0.000 1.267 553 I CB 0.585 38.530 38.000 -0.092 0.000 1.386 553 I HN 0.647 nan 8.210 nan 0.000 0.476 554 N N 5.169 123.879 118.700 0.017 0.000 2.643 554 N HA 0.288 5.028 4.740 -0.000 0.000 0.305 554 N C 0.627 176.122 175.510 -0.025 0.000 1.283 554 N CA -0.607 52.442 53.050 -0.001 0.000 0.946 554 N CB 1.098 39.594 38.487 0.015 0.000 1.149 554 N HN 0.398 nan 8.380 nan 0.000 0.600 555 V N 0.169 120.072 119.914 -0.019 0.000 3.235 555 V HA -0.018 4.102 4.120 -0.000 0.000 0.259 555 V C 0.973 177.065 176.094 -0.003 0.000 1.133 555 V CA 1.123 63.406 62.300 -0.028 0.000 1.128 555 V CB -0.382 31.442 31.823 0.002 0.000 0.757 555 V HN 0.468 nan 8.190 nan 0.000 0.469 556 D N 1.532 121.943 120.400 0.018 0.000 2.290 556 D HA -0.064 4.576 4.640 -0.000 0.000 0.224 556 D C 1.847 178.178 176.300 0.052 0.000 0.967 556 D CA 1.448 55.477 54.000 0.049 0.000 0.893 556 D CB -0.225 40.603 40.800 0.046 0.000 1.037 556 D HN 0.613 nan 8.370 nan 0.000 0.477 557 N N 1.230 119.958 118.700 0.046 0.000 2.446 557 N HA -0.140 4.600 4.740 -0.000 0.000 0.179 557 N C 1.576 177.106 175.510 0.033 0.000 1.054 557 N CA 0.481 53.560 53.050 0.048 0.000 0.905 557 N CB -0.613 37.955 38.487 0.135 0.000 0.973 557 N HN 0.196 nan 8.380 nan 0.000 0.448 558 Q N 0.068 119.859 119.800 -0.015 0.000 2.146 558 Q HA -0.248 4.092 4.340 -0.000 0.000 0.217 558 Q C 0.370 176.246 176.000 -0.207 0.000 1.023 558 Q CA 2.071 57.781 55.803 -0.156 0.000 0.903 558 Q CB -0.396 28.050 28.738 -0.487 0.000 0.990 558 Q HN 0.474 nan 8.270 nan 0.000 0.413 559 F N 0.212 120.196 119.950 0.057 0.000 2.804 559 F HA 0.125 4.652 4.527 -0.000 0.000 0.303 559 F C 1.075 176.850 175.800 -0.042 0.000 1.154 559 F CA 0.471 58.489 58.000 0.031 0.000 1.401 559 F CB -0.076 38.940 39.000 0.027 0.000 1.106 559 F HN 0.213 nan 8.300 nan 0.000 0.568 560 N N -1.488 117.144 118.700 -0.115 0.000 2.336 560 N HA -0.021 4.719 4.740 -0.000 0.000 0.189 560 N C -0.014 175.219 175.510 -0.462 0.000 1.113 560 N CA 0.234 53.074 53.050 -0.351 0.000 0.858 560 N CB 0.106 38.212 38.487 -0.634 0.000 0.970 560 N HN 0.238 nan 8.380 nan 0.000 0.471 561 Y N -0.126 120.266 120.300 0.153 0.000 2.706 561 Y HA 0.399 4.949 4.550 -0.000 0.000 0.255 561 Y C -0.318 175.688 175.900 0.176 0.000 1.163 561 Y CA -0.414 57.782 58.100 0.160 0.000 1.174 561 Y CB 0.553 39.075 38.460 0.103 0.000 1.200 561 Y HN -0.242 nan 8.280 nan 0.000 0.544 562 V N 2.035 122.120 119.914 0.285 0.000 2.971 562 V HA 0.434 4.554 4.120 -0.000 0.000 0.309 562 V C -2.261 173.970 176.094 0.228 0.000 1.130 562 V CA -2.077 60.375 62.300 0.254 0.000 0.964 562 V CB 2.890 34.861 31.823 0.247 0.000 1.029 562 V HN -0.075 nan 8.190 nan 0.000 0.427 563 P HA 0.211 nan 4.420 nan 0.000 0.272 563 P C -0.218 177.152 177.300 0.116 0.000 1.230 563 P CA 0.013 63.206 63.100 0.156 0.000 0.788 563 P CB 0.899 32.675 31.700 0.127 0.000 0.949 564 S N 0.521 116.268 115.700 0.079 0.000 2.686 564 S HA 0.110 4.580 4.470 -0.000 0.000 0.270 564 S C 1.351 175.967 174.600 0.027 0.000 1.194 564 S CA -0.554 57.670 58.200 0.040 0.000 0.990 564 S CB 0.049 63.261 63.200 0.020 0.000 1.029 564 S HN 0.601 nan 8.310 nan 0.000 0.560 565 N N 0.393 119.096 118.700 0.005 0.000 2.512 565 N HA -0.048 4.692 4.740 -0.000 0.000 0.183 565 N C 1.285 176.796 175.510 0.003 0.000 1.073 565 N CA 0.771 53.823 53.050 0.003 0.000 0.911 565 N CB -0.528 37.953 38.487 -0.009 0.000 0.964 565 N HN 0.703 nan 8.380 nan 0.000 0.447 566 I N -0.750 119.822 120.570 0.003 0.000 3.462 566 I HA 0.187 4.357 4.170 -0.000 0.000 0.290 566 I C 1.141 177.264 176.117 0.010 0.000 1.236 566 I CA 0.569 61.870 61.300 0.002 0.000 1.418 566 I CB 0.114 38.112 38.000 -0.003 0.000 1.102 566 I HN 0.280 nan 8.210 nan 0.000 0.441 567 G N 1.321 110.134 108.800 0.022 0.000 2.143 567 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.175 567 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.175 567 G C 0.449 175.374 174.900 0.042 0.000 1.004 567 G CA -0.360 44.764 45.100 0.039 0.000 0.671 567 G HN 0.519 nan 8.290 nan 0.000 0.512 568 G N -0.649 108.168 108.800 0.029 0.000 2.503 568 G HA2 0.643 4.603 3.960 -0.000 0.000 0.257 568 G HA3 0.643 4.603 3.960 -0.000 0.000 0.257 568 G C 0.019 174.946 174.900 0.044 0.000 1.214 568 G CA -0.048 45.062 45.100 0.016 0.000 0.839 568 G HN 0.245 nan 8.290 nan 0.000 0.559 569 M N -0.102 119.505 119.600 0.013 0.000 2.716 569 M HA 0.567 5.047 4.480 -0.000 0.000 0.278 569 M C -0.509 175.884 176.300 0.155 0.000 1.281 569 M CA -0.665 54.686 55.300 0.084 0.000 0.814 569 M CB 2.610 35.188 32.600 -0.037 0.000 1.719 569 M HN 0.821 nan 8.290 nan 0.000 0.457 570 K N 0.107 120.679 120.400 0.286 0.000 2.625 570 K HA 0.693 5.013 4.320 -0.000 0.000 0.284 570 K C -1.976 174.816 176.600 0.319 0.000 0.984 570 K CA -0.753 55.718 56.287 0.306 0.000 0.865 570 K CB 1.590 34.207 32.500 0.195 0.000 1.468 570 K HN 0.623 nan 8.250 nan 0.000 0.407 571 I N 2.381 123.122 120.570 0.285 0.000 2.476 571 I HA 0.204 4.374 4.170 -0.000 0.000 0.281 571 I C -0.506 175.708 176.117 0.162 0.000 1.040 571 I CA -1.268 60.162 61.300 0.217 0.000 1.094 571 I CB 1.976 40.066 38.000 0.150 0.000 1.219 571 I HN 0.350 nan 8.210 nan 0.000 0.450 572 V N 6.032 126.015 119.914 0.114 0.000 2.686 572 V HA 0.044 4.164 4.120 -0.000 0.000 0.295 572 V C -0.105 175.996 176.094 0.011 0.000 1.055 572 V CA -0.359 61.983 62.300 0.069 0.000 1.050 572 V CB 0.620 32.416 31.823 -0.045 0.000 0.984 572 V HN 0.572 nan 8.190 nan 0.000 0.482 573 Y N 2.197 122.322 120.300 -0.293 0.000 2.426 573 Y HA 0.592 5.142 4.550 -0.000 0.000 0.344 573 Y C -0.126 175.694 175.900 -0.133 0.000 1.256 573 Y CA -0.884 56.944 58.100 -0.452 0.000 1.451 573 Y CB 0.332 37.969 38.460 -1.371 0.000 1.342 573 Y HN 0.630 nan 8.280 nan 0.000 0.600 574 E N 1.602 121.723 120.200 -0.132 0.000 2.314 574 E HA 0.357 4.707 4.350 -0.000 0.000 0.272 574 E C -1.258 175.466 176.600 0.207 0.000 0.884 574 E CA -1.000 55.352 56.400 -0.081 0.000 0.753 574 E CB 1.308 31.060 29.700 0.087 0.000 1.213 574 E HN 0.544 nan 8.360 nan 0.000 0.432 575 K N 0.721 121.209 120.400 0.147 0.000 2.219 575 K HA 0.227 4.547 4.320 -0.000 0.000 0.258 575 K C 0.533 177.382 176.600 0.415 0.000 1.008 575 K CA 0.102 56.575 56.287 0.310 0.000 0.928 575 K CB 1.178 33.754 32.500 0.126 0.000 0.983 575 K HN 0.655 nan 8.250 nan 0.000 0.484 576 S N -0.106 115.860 115.700 0.444 0.000 2.554 576 S HA 0.003 4.473 4.470 -0.000 0.000 0.227 576 S C 0.592 175.274 174.600 0.136 0.000 1.050 576 S CA -0.345 58.018 58.200 0.271 0.000 0.927 576 S CB 0.255 63.630 63.200 0.291 0.000 0.859 576 S HN 0.564 nan 8.310 nan 0.000 0.494 577 Q N 2.435 122.387 119.800 0.253 0.000 2.640 577 Q HA 0.440 4.780 4.340 -0.000 0.000 0.389 577 Q C -0.691 175.471 176.000 0.269 0.000 1.012 577 Q CA -0.334 55.599 55.803 0.217 0.000 1.060 577 Q CB 0.225 29.124 28.738 0.268 0.000 1.332 577 Q HN 0.594 nan 8.270 nan 0.000 0.418 578 L N -0.027 121.270 121.223 0.122 0.000 2.452 578 L HA 0.678 5.018 4.340 -0.000 0.000 0.267 578 L C 0.354 177.220 176.870 -0.006 0.000 1.188 578 L CA -0.559 54.263 54.840 -0.031 0.000 0.821 578 L CB 0.152 42.161 42.059 -0.083 0.000 1.102 578 L HN 0.295 nan 8.230 nan 0.000 0.470 579 A N 1.704 124.509 122.820 -0.025 0.000 2.435 579 A HA 0.042 4.362 4.320 -0.000 0.000 0.686 579 A C -2.898 174.458 177.584 -0.379 0.000 0.138 579 A CA -1.043 50.925 52.037 -0.115 0.000 0.024 579 A CB -1.914 17.026 19.000 -0.101 0.000 3.974 579 A HN 0.496 nan 8.150 nan 0.000 0.548 580 P HA 0.561 nan 4.420 nan 0.000 0.277 580 P C -0.422 176.783 177.300 -0.159 0.000 1.240 580 P CA -0.181 62.745 63.100 -0.291 0.000 0.798 580 P CB 0.815 32.526 31.700 0.019 0.000 0.979 581 R N 2.128 122.558 120.500 -0.117 0.000 2.532 581 R HA 0.265 4.605 4.340 -0.000 0.000 0.297 581 R C -0.420 175.837 176.300 -0.071 0.000 0.984 581 R CA -0.814 55.243 56.100 -0.072 0.000 0.884 581 R CB 1.247 31.504 30.300 -0.072 0.000 1.182 581 R HN 0.376 nan 8.270 nan 0.000 0.442 582 K N 4.770 125.130 120.400 -0.068 0.000 2.412 582 K HA 0.011 4.331 4.320 -0.000 0.000 0.281 582 K C 0.303 176.827 176.600 -0.127 0.000 1.027 582 K CA -0.037 56.188 56.287 -0.104 0.000 0.989 582 K CB 0.847 33.301 32.500 -0.075 0.000 0.935 582 K HN 0.700 nan 8.250 nan 0.000 0.475 583 L N 4.410 125.525 121.223 -0.181 0.000 2.354 583 L HA 0.166 4.506 4.340 -0.000 0.000 0.212 583 L C -0.391 176.495 176.870 0.027 0.000 1.091 583 L CA 0.276 55.056 54.840 -0.101 0.000 0.828 583 L CB 0.211 42.175 42.059 -0.160 0.000 0.973 583 L HN 0.851 nan 8.230 nan 0.000 0.461 584 Y N 0.000 120.203 120.300 -0.162 0.000 2.660 584 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 584 Y CA 0.000 58.034 58.100 -0.111 0.000 1.940 584 Y CB 0.000 38.398 38.460 -0.104 0.000 1.050 584 Y HN 0.000 nan 8.280 nan 0.000 0.758