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 1c8e_1_A DATA FIRST_RESID 37 DATA SEQUENCE GVGISTGTFN NQTEFKFLEN GWVEITANSS RLVHLNMPES ENYKRVVVNN DATA SEQUENCE MDKTAVKGNM ALDDIHVEIV TPWSLVDANA WGVWFNPGDW QLIVNTMSEL DATA SEQUENCE HLVSFEQEIF NVVLKTVSES ATQPPTKVYN NDLTASLMVA LDSNNTMPFT DATA SEQUENCE PAAMRSETLG FYPWKPTIPT PWRYYFQWDR TLIPSHTGTS GTPTNVYHGT DATA SEQUENCE DPDDVQFYTI ENSVPVHLLR TGDEFATGTF FFDCKPCRLT HTWQTNRALG DATA SEQUENCE LPPFLNSLPQ SEGATNFGDI GVQQDKRRGV TQMGNTDYIT EATIMRPAEV DATA SEQUENCE GYSAPYYSFE ASTQGPFKTP IAAGXXXXXX XXXXXXXXDP RYAFGRQHGQ DATA SEQUENCE KTTTTGETPE RFTYIAHQDT GRYPEGDWIQ NINFNLPVTN DNVLLPTDPI DATA SEQUENCE GGKTGINYTN IFNTYGPLTA LNNVPPVYPN GQIWDKEFDT DLKPRLHINA DATA SEQUENCE PFVcQNNcPG QLFVKVAPNL TNQYDPDASA NMSRIVTYSD FWWKGKLVFK DATA SEQUENCE AKLRASHTWN PIQQMSINVD NQFNYVPNNI GAMKIVYEKS 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 3.959 3.960 -0.001 0.000 0.244 37 G C 0.000 174.926 174.900 0.043 0.000 0.946 37 G CA 0.000 45.122 45.100 0.037 0.000 0.502 38 V N 0.397 120.334 119.914 0.039 0.000 2.295 38 V HA 0.154 4.273 4.120 -0.001 0.000 0.246 38 V C 2.023 178.145 176.094 0.047 0.000 1.049 38 V CA 2.766 65.091 62.300 0.043 0.000 1.024 38 V CB -0.345 31.499 31.823 0.036 0.000 0.648 38 V HN 0.515 nan 8.190 nan 0.000 0.447 39 G N 0.198 109.022 108.800 0.040 0.000 3.332 39 G HA2 0.364 4.323 3.960 -0.001 0.000 0.242 39 G HA3 0.364 4.323 3.960 -0.001 0.000 0.242 39 G C 0.205 175.129 174.900 0.040 0.000 1.276 39 G CA -0.105 45.018 45.100 0.040 0.000 0.988 39 G HN 0.559 nan 8.290 nan 0.000 0.517 40 I N 0.467 121.065 120.570 0.047 0.000 2.512 40 I HA 0.182 4.352 4.170 -0.001 0.000 0.287 40 I C -0.144 176.009 176.117 0.060 0.000 1.069 40 I CA -0.638 60.688 61.300 0.044 0.000 1.056 40 I CB 2.234 40.256 38.000 0.035 0.000 1.229 40 I HN -0.128 nan 8.210 nan 0.000 0.429 41 S N 2.519 118.253 115.700 0.057 0.000 2.573 41 S HA 0.106 4.575 4.470 -0.001 0.000 0.277 41 S C 0.913 175.563 174.600 0.083 0.000 1.346 41 S CA -0.165 58.084 58.200 0.082 0.000 1.034 41 S CB 0.673 63.906 63.200 0.055 0.000 0.879 41 S HN 0.809 nan 8.310 nan 0.000 0.528 42 T N -1.597 113.043 114.554 0.144 0.000 3.200 42 T HA 0.566 4.916 4.350 -0.001 0.000 0.284 42 T C 0.305 175.036 174.700 0.053 0.000 1.009 42 T CA -0.051 62.117 62.100 0.113 0.000 0.907 42 T CB 0.100 69.063 68.868 0.158 0.000 1.120 42 T HN 0.813 nan 8.240 nan 0.000 0.534 43 G N -0.340 108.424 108.800 -0.059 0.000 2.506 43 G HA2 0.529 4.488 3.960 -0.001 0.000 0.292 43 G HA3 0.529 4.488 3.960 -0.001 0.000 0.292 43 G C -1.673 172.791 174.900 -0.727 0.000 1.425 43 G CA -0.578 44.083 45.100 -0.733 0.000 0.788 43 G HN 0.117 nan 8.290 nan 0.000 0.490 44 T N 0.140 114.144 114.554 -0.917 0.000 2.887 44 T HA 0.565 4.914 4.350 -0.001 0.000 0.288 44 T C -1.358 173.208 174.700 -0.223 0.000 1.021 44 T CA -0.264 61.607 62.100 -0.381 0.000 1.000 44 T CB 1.273 70.006 68.868 -0.225 0.000 1.034 44 T HN 0.478 nan 8.240 nan 0.000 0.467 45 F N 4.700 124.615 119.950 -0.059 0.000 2.411 45 F HA 0.619 5.146 4.527 -0.001 0.000 0.355 45 F C 0.052 175.895 175.800 0.072 0.000 1.117 45 F CA -0.712 57.351 58.000 0.104 0.000 1.139 45 F CB 0.467 39.493 39.000 0.044 0.000 1.120 45 F HN 0.372 nan 8.300 nan 0.000 0.493 46 N N 5.014 123.514 118.700 -0.334 0.000 2.454 46 N HA 0.207 4.947 4.740 -0.001 0.000 0.291 46 N C -1.667 173.701 175.510 -0.237 0.000 1.079 46 N CA -0.349 52.622 53.050 -0.131 0.000 0.893 46 N CB 1.166 39.614 38.487 -0.066 0.000 1.512 46 N HN 0.745 nan 8.380 nan 0.000 0.497 47 N N 2.621 121.309 118.700 -0.021 0.000 2.517 47 N HA 0.129 4.868 4.740 -0.001 0.000 0.285 47 N C -1.078 174.531 175.510 0.165 0.000 1.528 47 N CA 0.012 53.094 53.050 0.053 0.000 0.892 47 N CB 0.788 39.376 38.487 0.170 0.000 1.356 47 N HN 0.620 nan 8.380 nan 0.000 0.495 48 Q N -0.106 119.781 119.800 0.146 0.000 2.214 48 Q HA 0.424 4.764 4.340 -0.001 0.000 0.251 48 Q C -0.591 175.511 176.000 0.171 0.000 0.936 48 Q CA -0.341 55.566 55.803 0.174 0.000 0.894 48 Q CB 1.650 30.479 28.738 0.152 0.000 1.252 48 Q HN -0.067 nan 8.270 nan 0.000 0.448 49 T N 2.080 116.765 114.554 0.219 0.000 2.786 49 T HA 0.315 4.664 4.350 -0.001 0.000 0.283 49 T C -0.935 173.903 174.700 0.230 0.000 0.992 49 T CA -0.679 61.556 62.100 0.226 0.000 0.954 49 T CB 0.870 69.954 68.868 0.359 0.000 0.934 49 T HN 0.448 nan 8.240 nan 0.000 0.440 50 E N 1.896 122.159 120.200 0.105 0.000 2.183 50 E HA 0.517 4.866 4.350 -0.001 0.000 0.271 50 E C -1.167 175.398 176.600 -0.058 0.000 0.919 50 E CA -0.648 55.820 56.400 0.114 0.000 0.781 50 E CB 1.427 31.166 29.700 0.065 0.000 1.140 50 E HN 0.401 nan 8.360 nan 0.000 0.402 51 F N 2.148 122.046 119.950 -0.086 0.000 2.375 51 F HA 0.292 4.819 4.527 -0.001 0.000 0.361 51 F C 0.246 175.715 175.800 -0.552 0.000 1.117 51 F CA -0.784 57.018 58.000 -0.329 0.000 1.037 51 F CB 1.275 40.035 39.000 -0.401 0.000 1.192 51 F HN 0.180 nan 8.300 nan 0.000 0.452 52 K N 5.183 125.378 120.400 -0.341 0.000 2.334 52 K HA 0.412 4.731 4.320 -0.001 0.000 0.265 52 K C -1.295 175.137 176.600 -0.281 0.000 1.039 52 K CA -0.486 55.658 56.287 -0.237 0.000 0.920 52 K CB 0.374 32.829 32.500 -0.076 0.000 1.160 52 K HN 0.343 nan 8.250 nan 0.000 0.451 53 F N 5.299 125.321 119.950 0.121 0.000 2.471 53 F HA 0.076 4.602 4.527 -0.001 0.000 0.365 53 F C 0.646 176.501 175.800 0.091 0.000 1.095 53 F CA -0.629 57.435 58.000 0.107 0.000 1.174 53 F CB 0.143 39.192 39.000 0.081 0.000 1.105 53 F HN 0.362 nan 8.300 nan 0.000 0.535 54 L N 1.756 123.110 121.223 0.218 0.000 2.718 54 L HA 0.331 4.670 4.340 -0.001 0.000 0.147 54 L C 0.521 177.494 176.870 0.171 0.000 1.748 54 L CA -0.262 54.675 54.840 0.162 0.000 2.748 54 L CB -0.134 42.008 42.059 0.138 0.000 2.984 54 L HN 0.334 nan 8.230 nan 0.000 0.700 55 E N 0.717 121.005 120.200 0.147 0.000 2.171 55 E HA 0.298 4.648 4.350 -0.001 0.000 0.271 55 E C -1.088 175.621 176.600 0.182 0.000 0.916 55 E CA -0.417 56.062 56.400 0.132 0.000 0.774 55 E CB 0.996 30.742 29.700 0.078 0.000 1.128 55 E HN 0.442 nan 8.360 nan 0.000 0.403 56 N N 1.437 120.239 118.700 0.171 0.000 2.792 56 N HA -0.142 4.598 4.740 -0.001 0.000 0.258 56 N C 0.506 176.173 175.510 0.262 0.000 1.118 56 N CA 0.852 54.022 53.050 0.200 0.000 0.672 56 N CB -1.365 37.247 38.487 0.208 0.000 0.913 56 N HN 0.878 nan 8.380 nan 0.000 0.562 57 G N -1.688 107.196 108.800 0.139 0.000 2.269 57 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.277 57 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.277 57 G C -0.191 174.649 174.900 -0.099 0.000 1.008 57 G CA 0.717 45.828 45.100 0.020 0.000 0.774 57 G HN 0.512 nan 8.290 nan 0.000 0.511 58 W N -0.987 120.368 121.300 0.091 0.000 2.587 58 W HA 0.638 5.297 4.660 -0.001 0.000 0.324 58 W C 0.230 176.812 176.519 0.104 0.000 1.040 58 W CA -0.508 56.882 57.345 0.074 0.000 1.222 58 W CB 1.863 31.335 29.460 0.020 0.000 1.381 58 W HN 0.566 nan 8.180 nan 0.000 0.483 59 V N 0.454 120.521 119.914 0.256 0.000 3.046 59 V HA 0.623 4.742 4.120 -0.001 0.000 0.316 59 V C -0.953 175.195 176.094 0.090 0.000 1.104 59 V CA -1.154 61.225 62.300 0.133 0.000 1.006 59 V CB 1.999 33.846 31.823 0.041 0.000 1.058 59 V HN 0.590 nan 8.190 nan 0.000 0.440 60 E N 2.775 122.959 120.200 -0.028 0.000 2.145 60 E HA 0.506 4.856 4.350 -0.001 0.000 0.262 60 E C -1.174 175.350 176.600 -0.127 0.000 0.883 60 E CA -0.720 55.669 56.400 -0.017 0.000 0.748 60 E CB 1.387 31.082 29.700 -0.009 0.000 1.140 60 E HN 0.787 nan 8.360 nan 0.000 0.417 61 I N 3.968 124.472 120.570 -0.111 0.000 2.325 61 I HA 0.171 4.341 4.170 -0.001 0.000 0.291 61 I C -0.185 175.899 176.117 -0.054 0.000 1.019 61 I CA -0.272 60.848 61.300 -0.299 0.000 1.302 61 I CB 1.581 39.377 38.000 -0.340 0.000 1.401 61 I HN 0.395 nan 8.210 nan 0.000 0.485 62 T N 6.115 120.606 114.554 -0.105 0.000 2.821 62 T HA 0.507 4.857 4.350 -0.001 0.000 0.307 62 T C 0.039 174.768 174.700 0.049 0.000 1.034 62 T CA -0.503 61.593 62.100 -0.007 0.000 0.953 62 T CB 1.020 69.876 68.868 -0.020 0.000 0.968 62 T HN 0.650 nan 8.240 nan 0.000 0.462 63 A N 4.414 127.296 122.820 0.102 0.000 2.260 63 A HA 0.606 4.926 4.320 -0.001 0.000 0.312 63 A C 0.055 177.781 177.584 0.238 0.000 1.321 63 A CA -0.781 51.331 52.037 0.124 0.000 0.928 63 A CB -0.028 18.922 19.000 -0.083 0.000 1.158 63 A HN 0.798 nan 8.150 nan 0.000 0.542 64 N N 0.948 119.767 118.700 0.200 0.000 2.456 64 N HA 0.572 5.311 4.740 -0.001 0.000 0.288 64 N C -0.630 174.973 175.510 0.155 0.000 1.059 64 N CA -0.094 53.064 53.050 0.180 0.000 0.946 64 N CB 1.690 40.219 38.487 0.069 0.000 1.150 64 N HN 0.503 nan 8.380 nan 0.000 0.479 65 S N 0.912 116.656 115.700 0.073 0.000 2.668 65 S HA 0.590 5.059 4.470 -0.001 0.000 0.277 65 S C -1.353 173.154 174.600 -0.155 0.000 1.170 65 S CA -0.705 57.450 58.200 -0.075 0.000 0.994 65 S CB 0.079 63.099 63.200 -0.299 0.000 1.051 65 S HN 0.544 nan 8.310 nan 0.000 0.484 66 S N 4.090 119.683 115.700 -0.178 0.000 2.568 66 S HA 0.903 5.373 4.470 -0.001 0.000 0.293 66 S C -0.599 174.100 174.600 0.165 0.000 1.089 66 S CA -0.946 57.186 58.200 -0.114 0.000 0.945 66 S CB 2.064 65.035 63.200 -0.382 0.000 1.077 66 S HN 0.884 nan 8.310 nan 0.000 0.485 67 R N -0.340 120.438 120.500 0.463 0.000 2.734 67 R HA 0.590 4.930 4.340 -0.001 0.000 0.271 67 R C -2.181 174.222 176.300 0.173 0.000 1.021 67 R CA -0.841 55.496 56.100 0.395 0.000 0.893 67 R CB 1.355 31.805 30.300 0.249 0.000 1.244 67 R HN 0.652 nan 8.270 nan 0.000 0.464 68 L N 2.721 123.812 121.223 -0.221 0.000 2.262 68 L HA 0.495 4.834 4.340 -0.001 0.000 0.288 68 L C -1.363 175.190 176.870 -0.529 0.000 1.035 68 L CA -0.254 54.115 54.840 -0.785 0.000 0.820 68 L CB 1.494 42.863 42.059 -1.150 0.000 1.204 68 L HN 0.322 nan 8.230 nan 0.000 0.424 69 V N 5.253 124.770 119.914 -0.663 0.000 2.439 69 V HA 0.319 4.438 4.120 -0.001 0.000 0.282 69 V C -0.056 175.626 176.094 -0.686 0.000 1.039 69 V CA -0.621 61.255 62.300 -0.706 0.000 0.913 69 V CB 1.038 32.242 31.823 -1.032 0.000 0.983 69 V HN 0.741 nan 8.190 nan 0.000 0.460 70 H N 5.283 124.091 119.070 -0.436 0.000 2.476 70 H HA 0.633 5.188 4.556 -0.001 0.000 0.328 70 H C -1.524 173.716 175.328 -0.147 0.000 1.073 70 H CA -0.682 55.213 56.048 -0.255 0.000 1.229 70 H CB 1.843 31.500 29.762 -0.174 0.000 1.432 70 H HN 0.524 nan 8.280 nan 0.000 0.477 71 L N 5.134 126.084 121.223 -0.456 0.000 2.410 71 L HA 0.367 4.707 4.340 -0.001 0.000 0.270 71 L C -1.246 175.515 176.870 -0.182 0.000 0.983 71 L CA -0.426 54.310 54.840 -0.173 0.000 0.822 71 L CB 1.864 43.971 42.059 0.081 0.000 1.285 71 L HN 0.643 nan 8.230 nan 0.000 0.409 72 N N 3.384 122.042 118.700 -0.069 0.000 2.472 72 N HA 0.570 5.309 4.740 -0.001 0.000 0.289 72 N C -0.513 175.000 175.510 0.006 0.000 1.156 72 N CA -0.729 52.318 53.050 -0.005 0.000 0.940 72 N CB 1.445 39.945 38.487 0.021 0.000 1.200 72 N HN 0.714 nan 8.380 nan 0.000 0.511 73 M N 1.534 121.148 119.600 0.023 0.000 2.247 73 M HA 0.096 4.575 4.480 -0.001 0.000 0.318 73 M C -2.191 174.094 176.300 -0.026 0.000 1.054 73 M CA -0.523 54.774 55.300 -0.004 0.000 1.117 73 M CB 0.475 33.087 32.600 0.019 0.000 1.515 73 M HN 0.324 nan 8.290 nan 0.000 0.442 74 P HA 0.052 nan 4.420 nan 0.000 0.271 74 P C -0.618 176.659 177.300 -0.039 0.000 1.216 74 P CA -0.065 62.996 63.100 -0.064 0.000 0.771 74 P CB 0.563 32.194 31.700 -0.115 0.000 0.864 75 E N 0.939 121.121 120.200 -0.030 0.000 2.268 75 E HA -0.066 4.283 4.350 -0.001 0.000 0.195 75 E C 0.213 176.799 176.600 -0.024 0.000 0.995 75 E CA 0.709 57.096 56.400 -0.022 0.000 0.836 75 E CB 0.049 29.737 29.700 -0.020 0.000 0.763 75 E HN 0.205 nan 8.360 nan 0.000 0.491 76 S N -0.844 114.835 115.700 -0.034 0.000 2.572 76 S HA 0.157 4.626 4.470 -0.001 0.000 0.274 76 S C -0.225 174.348 174.600 -0.045 0.000 1.150 76 S CA -0.819 57.364 58.200 -0.029 0.000 0.944 76 S CB 1.387 64.572 63.200 -0.027 0.000 1.071 76 S HN 0.155 nan 8.310 nan 0.000 0.479 77 E N 2.530 122.715 120.200 -0.024 0.000 2.511 77 E HA 0.090 4.439 4.350 -0.001 0.000 0.196 77 E C -0.154 176.446 176.600 0.000 0.000 1.066 77 E CA 0.396 56.777 56.400 -0.032 0.000 0.871 77 E CB -0.074 29.628 29.700 0.004 0.000 0.863 77 E HN 0.516 nan 8.360 nan 0.000 0.520 78 N N -0.563 118.147 118.700 0.017 0.000 2.477 78 N HA 0.213 4.952 4.740 -0.001 0.000 0.284 78 N C -1.021 174.524 175.510 0.058 0.000 1.182 78 N CA -0.487 52.619 53.050 0.094 0.000 0.949 78 N CB 0.724 39.275 38.487 0.108 0.000 1.204 78 N HN -0.132 nan 8.380 nan 0.000 0.526 79 Y N 0.579 120.974 120.300 0.158 0.000 2.327 79 Y HA 0.352 4.901 4.550 -0.001 0.000 0.336 79 Y C 0.039 175.955 175.900 0.026 0.000 1.035 79 Y CA -0.073 58.136 58.100 0.180 0.000 1.165 79 Y CB 0.914 39.627 38.460 0.421 0.000 1.181 79 Y HN 0.101 nan 8.280 nan 0.000 0.494 80 K N 3.080 123.529 120.400 0.081 0.000 2.316 80 K HA 0.497 4.817 4.320 -0.001 0.000 0.251 80 K C -0.769 175.750 176.600 -0.135 0.000 0.934 80 K CA -1.133 55.124 56.287 -0.050 0.000 0.802 80 K CB 2.445 34.905 32.500 -0.066 0.000 1.171 80 K HN 0.508 nan 8.250 nan 0.000 0.426 81 R N 2.652 123.015 120.500 -0.229 0.000 2.215 81 R HA 0.271 4.610 4.340 -0.001 0.000 0.337 81 R C -1.202 174.929 176.300 -0.282 0.000 1.010 81 R CA -0.394 55.502 56.100 -0.340 0.000 0.871 81 R CB 0.590 30.573 30.300 -0.529 0.000 1.134 81 R HN 0.336 nan 8.270 nan 0.000 0.477 82 V N 5.456 125.222 119.914 -0.247 0.000 2.459 82 V HA 0.360 4.479 4.120 -0.001 0.000 0.295 82 V C -0.136 175.786 176.094 -0.288 0.000 1.029 82 V CA -0.797 61.363 62.300 -0.235 0.000 0.874 82 V CB 1.860 33.569 31.823 -0.190 0.000 0.985 82 V HN 0.462 nan 8.190 nan 0.000 0.438 83 V N 5.054 124.773 119.914 -0.325 0.000 2.532 83 V HA 0.515 4.635 4.120 -0.001 0.000 0.295 83 V C -0.190 175.625 176.094 -0.465 0.000 1.041 83 V CA -0.538 61.500 62.300 -0.437 0.000 0.926 83 V CB 2.012 33.533 31.823 -0.504 0.000 0.992 83 V HN 0.587 nan 8.190 nan 0.000 0.457 84 V N 4.446 123.999 119.914 -0.602 0.000 2.444 84 V HA 0.435 4.555 4.120 -0.001 0.000 0.294 84 V C -0.277 175.567 176.094 -0.416 0.000 1.022 84 V CA -0.522 61.478 62.300 -0.500 0.000 0.850 84 V CB 1.533 32.971 31.823 -0.642 0.000 0.992 84 V HN 0.972 nan 8.190 nan 0.000 0.426 85 N N 3.507 122.031 118.700 -0.294 0.000 2.238 85 N HA 0.514 5.254 4.740 -0.001 0.000 0.302 85 N C -0.298 175.130 175.510 -0.136 0.000 1.072 85 N CA -0.477 52.440 53.050 -0.222 0.000 0.792 85 N CB 1.498 39.838 38.487 -0.245 0.000 1.425 85 N HN 0.746 nan 8.380 nan 0.000 0.478 86 N N 4.237 122.885 118.700 -0.087 0.000 2.453 86 N HA 0.042 4.781 4.740 -0.001 0.000 0.267 86 N C 0.327 175.815 175.510 -0.037 0.000 1.482 86 N CA -0.127 52.888 53.050 -0.057 0.000 0.841 86 N CB -0.232 38.231 38.487 -0.039 0.000 1.408 86 N HN 0.610 nan 8.380 nan 0.000 0.490 87 M N 0.802 120.380 119.600 -0.037 0.000 2.103 87 M HA -0.297 4.183 4.480 -0.001 0.000 0.255 87 M C 1.394 177.679 176.300 -0.025 0.000 1.074 87 M CA 2.917 58.203 55.300 -0.023 0.000 1.090 87 M CB -0.706 31.879 32.600 -0.024 0.000 1.325 87 M HN 0.337 nan 8.290 nan 0.000 0.403 88 D N 0.169 120.550 120.400 -0.031 0.000 2.191 88 D HA -0.238 4.401 4.640 -0.001 0.000 0.195 88 D C 1.889 178.174 176.300 -0.025 0.000 1.003 88 D CA 1.462 55.444 54.000 -0.029 0.000 0.867 88 D CB -0.311 40.470 40.800 -0.033 0.000 0.926 88 D HN 0.160 nan 8.370 nan 0.000 0.450 89 K N -0.184 120.202 120.400 -0.024 0.000 2.007 89 K HA -0.049 4.270 4.320 -0.001 0.000 0.206 89 K C 2.420 179.008 176.600 -0.020 0.000 1.047 89 K CA 1.864 58.139 56.287 -0.020 0.000 0.937 89 K CB -0.845 31.645 32.500 -0.016 0.000 0.718 89 K HN 0.530 nan 8.250 nan 0.000 0.438 90 T N -1.437 113.107 114.554 -0.017 0.000 3.055 90 T HA 0.089 4.439 4.350 -0.001 0.000 0.265 90 T C 1.876 176.562 174.700 -0.023 0.000 1.111 90 T CA 0.882 62.971 62.100 -0.019 0.000 1.118 90 T CB -0.023 68.842 68.868 -0.005 0.000 0.909 90 T HN 0.108 nan 8.240 nan 0.000 0.501 91 A N 1.211 124.017 122.820 -0.023 0.000 2.121 91 A HA 0.268 4.588 4.320 -0.001 0.000 0.218 91 A C 1.312 178.879 177.584 -0.030 0.000 1.154 91 A CA 0.325 52.347 52.037 -0.025 0.000 0.679 91 A CB -0.601 18.384 19.000 -0.025 0.000 0.795 91 A HN 0.449 nan 8.150 nan 0.000 0.458 92 V N 2.241 122.137 119.914 -0.029 0.000 2.326 92 V HA 0.028 4.148 4.120 -0.001 0.000 0.249 92 V C 0.062 176.134 176.094 -0.036 0.000 1.114 92 V CA -0.483 61.799 62.300 -0.029 0.000 1.028 92 V CB -0.507 31.301 31.823 -0.024 0.000 1.170 92 V HN 0.431 nan 8.190 nan 0.000 0.494 93 K N 4.115 124.488 120.400 -0.045 0.000 2.362 93 K HA 0.083 4.403 4.320 -0.001 0.000 0.261 93 K C 1.283 177.856 176.600 -0.046 0.000 1.195 93 K CA 0.963 57.213 56.287 -0.062 0.000 1.233 93 K CB -0.366 32.081 32.500 -0.089 0.000 0.795 93 K HN 1.045 nan 8.250 nan 0.000 0.498 94 G N 2.696 111.468 108.800 -0.047 0.000 2.229 94 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.189 94 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.189 94 G C -0.023 174.847 174.900 -0.050 0.000 1.000 94 G CA -0.597 44.484 45.100 -0.031 0.000 0.663 94 G HN 0.559 nan 8.290 nan 0.000 0.493 95 N N 0.642 119.309 118.700 -0.054 0.000 2.635 95 N HA 0.442 5.181 4.740 -0.001 0.000 0.307 95 N C 1.685 177.151 175.510 -0.073 0.000 1.433 95 N CA -0.041 52.974 53.050 -0.058 0.000 0.973 95 N CB 0.239 38.703 38.487 -0.037 0.000 1.304 95 N HN 0.471 nan 8.380 nan 0.000 0.507 96 M N -0.439 119.092 119.600 -0.114 0.000 2.160 96 M HA 0.062 4.542 4.480 -0.001 0.000 0.264 96 M C 2.139 178.353 176.300 -0.143 0.000 1.073 96 M CA 1.151 56.377 55.300 -0.123 0.000 1.142 96 M CB -0.190 32.313 32.600 -0.162 0.000 1.358 96 M HN 0.199 nan 8.290 nan 0.000 0.422 97 A N 0.567 123.230 122.820 -0.261 0.000 2.131 97 A HA -0.062 4.258 4.320 -0.001 0.000 0.220 97 A C 1.840 179.405 177.584 -0.032 0.000 1.158 97 A CA 1.109 53.016 52.037 -0.216 0.000 0.665 97 A CB -1.042 17.764 19.000 -0.322 0.000 0.795 97 A HN 0.506 nan 8.150 nan 0.000 0.460 98 L N 0.231 121.431 121.223 -0.038 0.000 2.715 98 L HA 0.099 4.438 4.340 -0.001 0.000 0.238 98 L C -0.028 176.853 176.870 0.019 0.000 1.212 98 L CA -0.373 54.466 54.840 -0.001 0.000 1.017 98 L CB -0.604 41.448 42.059 -0.013 0.000 1.269 98 L HN 0.217 nan 8.230 nan 0.000 0.452 99 D N 0.208 120.631 120.400 0.038 0.000 2.339 99 D HA 0.027 4.666 4.640 -0.001 0.000 0.256 99 D C 0.427 176.784 176.300 0.095 0.000 1.214 99 D CA 0.198 54.236 54.000 0.064 0.000 0.877 99 D CB 0.950 41.802 40.800 0.086 0.000 1.111 99 D HN -0.018 nan 8.370 nan 0.000 0.478 100 D N 2.978 123.427 120.400 0.081 0.000 2.433 100 D HA 0.068 4.708 4.640 -0.001 0.000 0.211 100 D C 0.556 176.935 176.300 0.132 0.000 1.114 100 D CA -0.337 53.733 54.000 0.116 0.000 0.837 100 D CB 0.101 40.954 40.800 0.088 0.000 0.984 100 D HN 0.514 nan 8.370 nan 0.000 0.505 101 I N 2.877 123.478 120.570 0.052 0.000 2.662 101 I HA -0.007 4.162 4.170 -0.001 0.000 0.285 101 I C -0.389 175.607 176.117 -0.201 0.000 1.161 101 I CA 0.527 61.778 61.300 -0.082 0.000 1.415 101 I CB -0.021 37.961 38.000 -0.031 0.000 1.385 101 I HN 0.070 nan 8.210 nan 0.000 0.552 102 H N 5.253 123.961 119.070 -0.604 0.000 2.948 102 H HA 0.547 5.102 4.556 -0.001 0.000 0.315 102 H C -1.941 172.829 175.328 -0.931 0.000 1.360 102 H CA -0.926 54.317 56.048 -1.343 0.000 1.125 102 H CB 1.307 30.684 29.762 -0.642 0.000 1.844 102 H HN 0.349 nan 8.280 nan 0.000 0.529 103 V N 1.227 120.673 119.914 -0.780 0.000 2.604 103 V HA 0.372 4.491 4.120 -0.001 0.000 0.305 103 V C -0.295 175.947 176.094 0.247 0.000 1.043 103 V CA -0.647 61.551 62.300 -0.171 0.000 0.888 103 V CB 1.648 33.560 31.823 0.149 0.000 0.995 103 V HN 0.896 nan 8.190 nan 0.000 0.429 104 E N 4.380 124.624 120.200 0.072 0.000 2.383 104 E HA 0.610 4.959 4.350 -0.001 0.000 0.275 104 E C -1.648 174.866 176.600 -0.143 0.000 0.918 104 E CA -0.934 55.496 56.400 0.050 0.000 0.764 104 E CB 2.673 32.388 29.700 0.026 0.000 1.252 104 E HN 0.463 nan 8.360 nan 0.000 0.449 105 I N 2.846 123.228 120.570 -0.312 0.000 2.312 105 I HA 0.177 4.346 4.170 -0.001 0.000 0.290 105 I C -0.427 175.479 176.117 -0.352 0.000 1.008 105 I CA -0.982 60.105 61.300 -0.354 0.000 1.226 105 I CB 1.582 39.299 38.000 -0.473 0.000 1.371 105 I HN 0.446 nan 8.210 nan 0.000 0.468 106 V N 6.067 125.878 119.914 -0.171 0.000 2.389 106 V HA 0.147 4.266 4.120 -0.001 0.000 0.264 106 V C 0.798 176.860 176.094 -0.054 0.000 1.049 106 V CA -0.385 61.840 62.300 -0.124 0.000 0.932 106 V CB 0.966 32.731 31.823 -0.097 0.000 1.011 106 V HN 0.847 nan 8.190 nan 0.000 0.475 107 T N 3.434 117.966 114.554 -0.037 0.000 2.928 107 T HA 0.451 4.800 4.350 -0.001 0.000 0.284 107 T C -1.598 173.057 174.700 -0.076 0.000 1.008 107 T CA -2.091 59.961 62.100 -0.080 0.000 1.057 107 T CB 1.972 71.023 68.868 0.305 0.000 1.018 107 T HN 0.502 nan 8.240 nan 0.000 0.493 108 P HA 0.194 nan 4.420 nan 0.000 0.255 108 P C -0.896 176.309 177.300 -0.158 0.000 1.301 108 P CA -0.229 62.761 63.100 -0.184 0.000 0.817 108 P CB -0.185 31.348 31.700 -0.280 0.000 1.259 109 W N 0.288 121.611 121.300 0.039 0.000 2.578 109 W HA 0.414 5.073 4.660 -0.001 0.000 0.346 109 W C 0.342 177.011 176.519 0.249 0.000 1.075 109 W CA -0.159 57.272 57.345 0.142 0.000 1.233 109 W CB 1.141 30.688 29.460 0.145 0.000 1.358 109 W HN -0.291 nan 8.180 nan 0.000 0.574 110 S N 2.134 118.109 115.700 0.457 0.000 2.593 110 S HA 0.663 5.132 4.470 -0.001 0.000 0.297 110 S C -1.175 173.677 174.600 0.419 0.000 1.112 110 S CA -0.811 57.613 58.200 0.373 0.000 1.043 110 S CB 1.203 64.535 63.200 0.221 0.000 1.054 110 S HN 0.445 nan 8.310 nan 0.000 0.516 111 L N 2.588 124.007 121.223 0.327 0.000 2.313 111 L HA 0.651 4.990 4.340 -0.001 0.000 0.283 111 L C -1.208 175.668 176.870 0.010 0.000 1.013 111 L CA -0.643 54.278 54.840 0.136 0.000 0.816 111 L CB 1.120 43.284 42.059 0.175 0.000 1.236 111 L HN 0.422 nan 8.230 nan 0.000 0.419 112 V N 4.869 124.733 119.914 -0.083 0.000 2.299 112 V HA 0.218 4.337 4.120 -0.001 0.000 0.255 112 V C 0.017 176.008 176.094 -0.172 0.000 1.100 112 V CA -0.309 61.918 62.300 -0.122 0.000 0.938 112 V CB 0.266 32.038 31.823 -0.084 0.000 1.139 112 V HN 0.729 nan 8.190 nan 0.000 0.490 113 D N 3.688 123.986 120.400 -0.170 0.000 2.198 113 D HA 0.550 5.189 4.640 -0.001 0.000 0.245 113 D C 0.316 176.489 176.300 -0.212 0.000 1.079 113 D CA -0.089 53.815 54.000 -0.160 0.000 0.854 113 D CB 2.340 43.051 40.800 -0.149 0.000 1.148 113 D HN 0.498 nan 8.370 nan 0.000 0.456 114 A N 3.676 126.411 122.820 -0.142 0.000 2.585 114 A HA 0.035 4.355 4.320 -0.001 0.000 0.266 114 A C 0.638 178.192 177.584 -0.051 0.000 1.178 114 A CA -0.391 51.557 52.037 -0.147 0.000 0.966 114 A CB 0.093 19.078 19.000 -0.025 0.000 1.170 114 A HN 0.465 nan 8.150 nan 0.000 0.558 115 N N 2.404 120.946 118.700 -0.264 0.000 2.671 115 N HA 0.442 5.181 4.740 -0.001 0.000 0.274 115 N C -0.589 174.690 175.510 -0.385 0.000 1.188 115 N CA 0.949 53.647 53.050 -0.586 0.000 1.065 115 N CB -0.242 37.707 38.487 -0.897 0.000 1.415 115 N HN 0.531 nan 8.380 nan 0.000 0.511 116 A N 2.164 124.835 122.820 -0.248 0.000 2.547 116 A HA 0.177 4.497 4.320 -0.001 0.000 0.300 116 A C 0.214 177.694 177.584 -0.172 0.000 1.061 116 A CA -0.854 51.056 52.037 -0.212 0.000 0.808 116 A CB -0.341 18.624 19.000 -0.058 0.000 1.304 116 A HN 0.478 nan 8.150 nan 0.000 0.393 117 W N 2.055 123.314 121.300 -0.067 0.000 2.308 117 W HA -0.147 4.512 4.660 -0.001 0.000 0.301 117 W C 2.170 178.523 176.519 -0.277 0.000 1.220 117 W CA 2.140 59.487 57.345 0.003 0.000 1.240 117 W CB -0.014 29.353 29.460 -0.154 0.000 1.142 117 W HN 0.939 nan 8.180 nan 0.000 0.521 118 G N -0.077 108.248 108.800 -0.792 0.000 2.479 118 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.220 118 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.220 118 G C 1.315 175.362 174.900 -1.421 0.000 1.115 118 G CA 1.320 45.334 45.100 -1.809 0.000 0.757 118 G HN 0.227 nan 8.290 nan 0.000 0.560 119 V N -1.215 118.171 119.914 -0.880 0.000 2.719 119 V HA -0.022 4.098 4.120 -0.001 0.000 0.252 119 V C 2.088 177.784 176.094 -0.664 0.000 1.065 119 V CA 1.212 63.132 62.300 -0.634 0.000 1.086 119 V CB -0.440 30.996 31.823 -0.645 0.000 0.700 119 V HN 0.617 nan 8.190 nan 0.000 0.467 120 W N -1.785 119.423 121.300 -0.153 0.000 2.735 120 W HA 0.390 5.050 4.660 -0.001 0.000 0.264 120 W C 0.609 176.880 176.519 -0.413 0.000 1.233 120 W CA -0.410 56.766 57.345 -0.283 0.000 1.408 120 W CB 0.148 29.344 29.460 -0.439 0.000 1.038 120 W HN 0.017 nan 8.180 nan 0.000 0.603 121 F N 1.736 121.963 119.950 0.462 0.000 2.546 121 F HA 0.311 4.837 4.527 -0.001 0.000 0.320 121 F C 0.408 176.432 175.800 0.374 0.000 1.076 121 F CA -1.446 56.810 58.000 0.427 0.000 0.928 121 F CB 0.929 40.239 39.000 0.517 0.000 1.189 121 F HN -0.283 nan 8.300 nan 0.000 0.465 122 N N 1.198 120.188 118.700 0.484 0.000 2.530 122 N HA 0.499 5.238 4.740 -0.001 0.000 0.283 122 N C -2.554 173.102 175.510 0.243 0.000 1.238 122 N CA -2.235 51.047 53.050 0.387 0.000 0.971 122 N CB 0.209 38.895 38.487 0.332 0.000 1.195 122 N HN 0.098 nan 8.380 nan 0.000 0.583 123 P HA -0.071 nan 4.420 nan 0.000 0.215 123 P C 1.345 178.613 177.300 -0.054 0.000 1.157 123 P CA 2.367 65.492 63.100 0.041 0.000 0.874 123 P CB -0.267 31.522 31.700 0.148 0.000 0.790 124 G N -0.303 108.500 108.800 0.005 0.000 2.440 124 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.218 124 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.218 124 G C 1.255 176.145 174.900 -0.016 0.000 1.154 124 G CA 1.121 46.204 45.100 -0.029 0.000 0.767 124 G HN 0.203 nan 8.290 nan 0.000 0.552 125 D N -0.512 119.945 120.400 0.095 0.000 2.097 125 D HA -0.101 4.539 4.640 -0.001 0.000 0.197 125 D C 1.960 178.231 176.300 -0.050 0.000 0.984 125 D CA 0.432 54.520 54.000 0.148 0.000 0.826 125 D CB -0.441 40.630 40.800 0.451 0.000 0.973 125 D HN 0.485 nan 8.370 nan 0.000 0.460 126 W N 2.138 123.238 121.300 -0.334 0.000 2.342 126 W HA -0.220 4.439 4.660 -0.001 0.000 0.297 126 W C 2.225 178.511 176.519 -0.388 0.000 1.213 126 W CA 1.334 58.357 57.345 -0.537 0.000 1.251 126 W CB -0.007 28.880 29.460 -0.956 0.000 1.136 126 W HN 0.105 nan 8.180 nan 0.000 0.526 127 Q N 0.289 119.937 119.800 -0.253 0.000 2.050 127 Q HA -0.274 4.065 4.340 -0.001 0.000 0.202 127 Q C 2.385 178.194 176.000 -0.319 0.000 0.980 127 Q CA 1.991 57.632 55.803 -0.269 0.000 0.840 127 Q CB -0.622 27.992 28.738 -0.206 0.000 0.898 127 Q HN 0.217 nan 8.270 nan 0.000 0.424 128 L N 0.946 121.995 121.223 -0.291 0.000 1.970 128 L HA -0.210 4.129 4.340 -0.001 0.000 0.212 128 L C 2.157 178.830 176.870 -0.329 0.000 1.071 128 L CA 1.775 56.432 54.840 -0.305 0.000 0.751 128 L CB -0.765 41.073 42.059 -0.368 0.000 0.889 128 L HN 0.384 nan 8.230 nan 0.000 0.432 129 I N -1.712 118.622 120.570 -0.392 0.000 2.091 129 I HA -0.349 3.821 4.170 -0.001 0.000 0.239 129 I C 2.462 178.243 176.117 -0.559 0.000 1.061 129 I CA 1.670 62.687 61.300 -0.472 0.000 1.317 129 I CB -0.572 36.930 38.000 -0.829 0.000 1.031 129 I HN 0.097 nan 8.210 nan 0.000 0.401 130 V N 1.116 120.557 119.914 -0.790 0.000 2.392 130 V HA -0.282 3.837 4.120 -0.001 0.000 0.249 130 V C 2.021 177.909 176.094 -0.344 0.000 1.059 130 V CA 2.118 64.037 62.300 -0.636 0.000 1.051 130 V CB -0.698 30.670 31.823 -0.759 0.000 0.658 130 V HN 0.433 nan 8.190 nan 0.000 0.455 131 N N -0.487 118.034 118.700 -0.298 0.000 2.290 131 N HA -0.070 4.670 4.740 -0.001 0.000 0.179 131 N C 1.852 177.263 175.510 -0.166 0.000 1.016 131 N CA 1.654 54.586 53.050 -0.198 0.000 0.871 131 N CB -0.093 38.285 38.487 -0.183 0.000 0.987 131 N HN 0.655 nan 8.380 nan 0.000 0.431 132 T N -2.876 111.569 114.554 -0.181 0.000 3.001 132 T HA 0.274 4.623 4.350 -0.001 0.000 0.251 132 T C 0.594 175.218 174.700 -0.126 0.000 1.040 132 T CA -0.144 61.871 62.100 -0.141 0.000 0.985 132 T CB 0.296 69.085 68.868 -0.132 0.000 1.011 132 T HN -0.213 nan 8.240 nan 0.000 0.509 133 M N 2.283 121.792 119.600 -0.152 0.000 2.471 133 M HA 0.512 4.992 4.480 -0.001 0.000 0.309 133 M C 1.201 177.418 176.300 -0.140 0.000 1.186 133 M CA -0.617 54.597 55.300 -0.143 0.000 1.008 133 M CB 1.238 33.748 32.600 -0.150 0.000 1.551 133 M HN 0.299 nan 8.290 nan 0.000 0.477 134 S N -1.449 114.169 115.700 -0.135 0.000 2.632 134 S HA 0.274 4.743 4.470 -0.001 0.000 0.237 134 S C -0.116 174.443 174.600 -0.068 0.000 1.037 134 S CA -0.341 57.802 58.200 -0.096 0.000 1.009 134 S CB 0.393 63.545 63.200 -0.080 0.000 0.974 134 S HN 0.778 nan 8.310 nan 0.000 0.544 135 E N -0.098 120.064 120.200 -0.063 0.000 2.401 135 E HA 0.569 4.918 4.350 -0.001 0.000 0.283 135 E C -2.103 174.572 176.600 0.124 0.000 1.053 135 E CA -1.056 55.360 56.400 0.027 0.000 0.842 135 E CB 0.575 30.324 29.700 0.083 0.000 1.222 135 E HN 0.107 nan 8.360 nan 0.000 0.429 136 L N 2.115 123.458 121.223 0.200 0.000 2.362 136 L HA 0.525 4.864 4.340 -0.001 0.000 0.271 136 L C -1.378 175.792 176.870 0.501 0.000 1.002 136 L CA -0.366 54.699 54.840 0.376 0.000 0.818 136 L CB 1.745 43.994 42.059 0.316 0.000 1.298 136 L HN 0.679 nan 8.230 nan 0.000 0.420 137 H N 4.771 124.101 119.070 0.433 0.000 2.547 137 H HA 0.362 4.918 4.556 -0.001 0.000 0.342 137 H C -1.167 174.197 175.328 0.060 0.000 1.048 137 H CA -0.974 55.242 56.048 0.280 0.000 1.204 137 H CB 2.420 32.335 29.762 0.255 0.000 1.493 137 H HN 0.422 nan 8.280 nan 0.000 0.511 138 L N 4.314 125.314 121.223 -0.371 0.000 2.313 138 L HA 0.080 4.420 4.340 -0.001 0.000 0.282 138 L C 0.081 176.713 176.870 -0.396 0.000 1.092 138 L CA 0.212 54.574 54.840 -0.797 0.000 0.831 138 L CB 0.694 41.829 42.059 -1.539 0.000 1.159 138 L HN 0.478 nan 8.230 nan 0.000 0.442 139 V N 2.729 122.454 119.914 -0.315 0.000 2.602 139 V HA 0.325 4.444 4.120 -0.001 0.000 0.235 139 V C 0.735 176.849 176.094 0.033 0.000 1.087 139 V CA 1.006 63.275 62.300 -0.052 0.000 1.117 139 V CB 0.277 32.081 31.823 -0.032 0.000 0.820 139 V HN 0.885 nan 8.190 nan 0.000 0.490 140 S N -0.782 114.837 115.700 -0.136 0.000 2.651 140 S HA 0.766 5.235 4.470 -0.001 0.000 0.279 140 S C -1.532 172.976 174.600 -0.152 0.000 1.148 140 S CA -0.547 57.455 58.200 -0.329 0.000 0.837 140 S CB 2.768 65.525 63.200 -0.739 0.000 1.138 140 S HN 0.310 nan 8.310 nan 0.000 0.478 141 F N 1.055 120.750 119.950 -0.425 0.000 2.635 141 F HA 0.656 5.183 4.527 -0.001 0.000 0.314 141 F C -1.654 173.996 175.800 -0.250 0.000 1.119 141 F CA -0.615 57.192 58.000 -0.321 0.000 1.000 141 F CB 1.667 40.487 39.000 -0.299 0.000 1.278 141 F HN 0.997 nan 8.300 nan 0.000 0.446 142 E N 4.847 124.635 120.200 -0.686 0.000 2.390 142 E HA 0.573 4.923 4.350 -0.001 0.000 0.277 142 E C -2.031 174.234 176.600 -0.558 0.000 0.939 142 E CA -0.997 54.998 56.400 -0.676 0.000 0.769 142 E CB 3.078 32.549 29.700 -0.382 0.000 1.251 142 E HN 0.746 nan 8.360 nan 0.000 0.450 143 Q N 0.632 120.175 119.800 -0.428 0.000 2.587 143 Q HA 0.557 4.897 4.340 -0.001 0.000 0.293 143 Q C -1.197 174.704 176.000 -0.165 0.000 1.083 143 Q CA -1.038 54.617 55.803 -0.247 0.000 0.792 143 Q CB 2.866 31.637 28.738 0.055 0.000 1.484 143 Q HN 0.674 nan 8.270 nan 0.000 0.446 144 E N 0.707 120.835 120.200 -0.120 0.000 2.380 144 E HA 0.422 4.772 4.350 -0.001 0.000 0.281 144 E C -1.732 175.022 176.600 0.257 0.000 0.999 144 E CA -0.498 55.931 56.400 0.048 0.000 0.800 144 E CB 1.613 31.287 29.700 -0.044 0.000 1.228 144 E HN 0.581 nan 8.360 nan 0.000 0.436 145 I N 4.764 125.568 120.570 0.389 0.000 2.410 145 I HA 0.436 4.606 4.170 -0.001 0.000 0.286 145 I C -0.842 175.544 176.117 0.448 0.000 1.009 145 I CA -0.784 60.760 61.300 0.407 0.000 1.111 145 I CB 0.652 38.785 38.000 0.223 0.000 1.262 145 I HN 0.437 nan 8.210 nan 0.000 0.443 146 F N 3.406 123.526 119.950 0.285 0.000 2.664 146 F HA 0.522 5.048 4.527 -0.001 0.000 0.329 146 F C 0.443 176.438 175.800 0.326 0.000 1.090 146 F CA -1.606 56.531 58.000 0.227 0.000 0.978 146 F CB 0.569 39.647 39.000 0.129 0.000 1.378 146 F HN 0.455 nan 8.300 nan 0.000 0.495 147 N N 0.153 119.072 118.700 0.366 0.000 2.705 147 N HA -0.154 4.585 4.740 -0.001 0.000 0.255 147 N C -0.807 174.879 175.510 0.293 0.000 1.008 147 N CA 0.325 53.545 53.050 0.284 0.000 0.742 147 N CB -0.592 38.035 38.487 0.234 0.000 0.906 147 N HN 0.398 nan 8.380 nan 0.000 0.541 148 V N 1.059 121.114 119.914 0.235 0.000 2.740 148 V HA 0.189 4.308 4.120 -0.001 0.000 0.303 148 V C 0.829 177.014 176.094 0.151 0.000 1.054 148 V CA 0.275 62.698 62.300 0.206 0.000 1.106 148 V CB 1.727 33.627 31.823 0.128 0.000 0.957 148 V HN 0.057 nan 8.190 nan 0.000 0.486 149 V N 5.805 125.794 119.914 0.124 0.000 2.808 149 V HA 0.520 4.640 4.120 -0.001 0.000 0.308 149 V C -0.727 175.348 176.094 -0.032 0.000 1.099 149 V CA -0.553 61.775 62.300 0.047 0.000 0.920 149 V CB 2.030 33.880 31.823 0.045 0.000 1.014 149 V HN 0.642 nan 8.190 nan 0.000 0.425 150 L N 4.853 126.029 121.223 -0.078 0.000 2.376 150 L HA 0.633 4.972 4.340 -0.001 0.000 0.275 150 L C -0.176 176.561 176.870 -0.221 0.000 0.987 150 L CA -0.311 54.437 54.840 -0.154 0.000 0.828 150 L CB 1.874 43.884 42.059 -0.081 0.000 1.249 150 L HN 0.528 nan 8.230 nan 0.000 0.409 151 K N 1.261 121.390 120.400 -0.451 0.000 2.306 151 K HA 0.790 5.110 4.320 -0.001 0.000 0.236 151 K C -0.935 175.545 176.600 -0.201 0.000 1.013 151 K CA -0.932 55.126 56.287 -0.381 0.000 0.857 151 K CB 2.477 34.646 32.500 -0.552 0.000 1.214 151 K HN 0.358 nan 8.250 nan 0.000 0.449 152 T N 0.816 115.386 114.554 0.026 0.000 2.886 152 T HA 0.318 4.667 4.350 -0.001 0.000 0.292 152 T C -1.103 173.730 174.700 0.222 0.000 1.012 152 T CA -0.600 61.578 62.100 0.130 0.000 0.982 152 T CB 1.565 70.468 68.868 0.058 0.000 1.018 152 T HN 0.176 nan 8.240 nan 0.000 0.451 153 V N 3.401 123.451 119.914 0.227 0.000 2.370 153 V HA 0.484 4.603 4.120 -0.001 0.000 0.279 153 V C 0.030 176.113 176.094 -0.018 0.000 1.029 153 V CA -0.641 61.722 62.300 0.105 0.000 0.870 153 V CB 1.558 33.471 31.823 0.149 0.000 0.984 153 V HN 0.960 nan 8.190 nan 0.000 0.451 154 S N 3.302 118.935 115.700 -0.111 0.000 2.438 154 S HA 0.314 4.784 4.470 -0.001 0.000 0.316 154 S C 0.011 174.538 174.600 -0.121 0.000 1.084 154 S CA -0.539 57.610 58.200 -0.085 0.000 1.107 154 S CB 1.229 64.388 63.200 -0.068 0.000 0.981 154 S HN 0.824 nan 8.310 nan 0.000 0.466 155 E N 2.694 122.848 120.200 -0.077 0.000 1.842 155 E HA 0.074 4.423 4.350 -0.001 0.000 0.278 155 E C -0.002 176.562 176.600 -0.060 0.000 1.171 155 E CA -0.033 56.323 56.400 -0.073 0.000 1.127 155 E CB -0.169 29.504 29.700 -0.044 0.000 1.100 155 E HN 0.483 nan 8.360 nan 0.000 0.456 156 S N 3.166 118.822 115.700 -0.073 0.000 3.106 156 S HA 0.038 4.508 4.470 -0.001 0.000 0.304 156 S C 0.872 175.449 174.600 -0.039 0.000 1.118 156 S CA 0.192 58.361 58.200 -0.051 0.000 1.403 156 S CB -0.599 62.568 63.200 -0.055 0.000 1.555 156 S HN 0.529 nan 8.310 nan 0.000 0.584 157 A N 4.418 127.220 122.820 -0.030 0.000 2.190 157 A HA 0.147 4.467 4.320 -0.001 0.000 0.226 157 A C 1.039 178.612 177.584 -0.018 0.000 1.402 157 A CA 0.125 52.148 52.037 -0.023 0.000 1.288 157 A CB -0.725 18.264 19.000 -0.019 0.000 0.833 157 A HN 0.652 nan 8.150 nan 0.000 0.564 158 T N 0.375 114.918 114.554 -0.019 0.000 2.743 158 T HA 0.389 4.739 4.350 -0.001 0.000 0.293 158 T C 1.025 175.718 174.700 -0.012 0.000 0.945 158 T CA -0.061 62.031 62.100 -0.014 0.000 1.030 158 T CB 0.090 68.950 68.868 -0.013 0.000 0.912 158 T HN 0.631 nan 8.240 nan 0.000 0.483 159 Q N 3.233 123.027 119.800 -0.009 0.000 2.026 159 Q HA -0.225 4.114 4.340 -0.001 0.000 0.307 159 Q C -1.025 174.970 176.000 -0.008 0.000 2.333 159 Q CA 2.144 57.943 55.803 -0.008 0.000 0.744 159 Q CB -2.841 25.893 28.738 -0.006 0.000 1.401 159 Q HN 0.640 nan 8.270 nan 0.000 0.684 160 P HA -0.031 nan 4.420 nan 0.000 0.216 160 P C -1.146 176.148 177.300 -0.010 0.000 1.157 160 P CA 2.260 65.355 63.100 -0.008 0.000 0.880 160 P CB -1.286 30.410 31.700 -0.006 0.000 0.791 161 P HA 0.206 nan 4.420 nan 0.000 0.285 161 P C -0.188 177.099 177.300 -0.022 0.000 1.285 161 P CA -0.189 62.901 63.100 -0.016 0.000 0.854 161 P CB 0.952 32.641 31.700 -0.019 0.000 1.180 162 T N 0.131 114.669 114.554 -0.027 0.000 2.698 162 T HA 0.280 4.629 4.350 -0.001 0.000 0.295 162 T C 0.132 174.791 174.700 -0.068 0.000 1.007 162 T CA -0.091 61.986 62.100 -0.037 0.000 0.980 162 T CB 0.304 69.151 68.868 -0.035 0.000 1.036 162 T HN 0.438 nan 8.240 nan 0.000 0.526 163 K N 0.173 120.508 120.400 -0.109 0.000 2.543 163 K HA 0.579 4.898 4.320 -0.001 0.000 0.255 163 K C -2.001 174.379 176.600 -0.366 0.000 0.934 163 K CA -0.604 55.548 56.287 -0.224 0.000 0.810 163 K CB 1.677 34.049 32.500 -0.214 0.000 1.315 163 K HN 0.383 nan 8.250 nan 0.000 0.433 164 V N 3.560 123.208 119.914 -0.444 0.000 2.823 164 V HA 0.520 4.639 4.120 -0.001 0.000 0.312 164 V C -1.397 174.381 176.094 -0.528 0.000 1.072 164 V CA -0.845 61.216 62.300 -0.398 0.000 0.937 164 V CB 1.590 33.322 31.823 -0.151 0.000 1.013 164 V HN 0.651 nan 8.190 nan 0.000 0.430 165 Y N 2.153 122.499 120.300 0.076 0.000 2.350 165 Y HA 0.614 5.164 4.550 -0.001 0.000 0.338 165 Y C 0.129 176.074 175.900 0.074 0.000 0.961 165 Y CA -0.558 57.609 58.100 0.113 0.000 1.100 165 Y CB 1.697 40.255 38.460 0.164 0.000 1.179 165 Y HN 0.673 nan 8.280 nan 0.000 0.454 166 N N 1.036 119.844 118.700 0.179 0.000 2.469 166 N HA 0.373 5.112 4.740 -0.001 0.000 0.286 166 N C -1.499 174.043 175.510 0.052 0.000 1.275 166 N CA -1.179 51.928 53.050 0.096 0.000 0.790 166 N CB 0.956 39.477 38.487 0.056 0.000 1.446 166 N HN 0.466 nan 8.380 nan 0.000 0.501 167 N N 0.668 119.385 118.700 0.030 0.000 2.455 167 N HA 0.089 4.828 4.740 -0.001 0.000 0.280 167 N C -1.369 174.139 175.510 -0.003 0.000 1.055 167 N CA 0.007 53.057 53.050 -0.000 0.000 0.961 167 N CB 0.836 39.330 38.487 0.012 0.000 1.121 167 N HN 0.513 nan 8.380 nan 0.000 0.476 168 D N 3.663 124.050 120.400 -0.022 0.000 2.485 168 D HA 0.145 4.785 4.640 -0.001 0.000 0.221 168 D C 1.238 177.533 176.300 -0.009 0.000 1.112 168 D CA -0.339 53.653 54.000 -0.014 0.000 0.911 168 D CB 0.570 41.356 40.800 -0.023 0.000 1.019 168 D HN 0.444 nan 8.370 nan 0.000 0.516 169 L N 2.171 123.396 121.223 0.002 0.000 2.265 169 L HA -0.129 4.211 4.340 -0.001 0.000 0.215 169 L C 2.138 179.014 176.870 0.009 0.000 1.117 169 L CA 1.223 56.068 54.840 0.009 0.000 0.782 169 L CB -0.240 41.828 42.059 0.015 0.000 0.914 169 L HN 0.407 nan 8.230 nan 0.000 0.441 170 T N -3.923 110.634 114.554 0.004 0.000 3.054 170 T HA 0.389 4.738 4.350 -0.001 0.000 0.255 170 T C 0.762 175.461 174.700 -0.002 0.000 1.035 170 T CA 0.089 62.191 62.100 0.004 0.000 0.941 170 T CB 0.159 69.029 68.868 0.003 0.000 1.026 170 T HN 0.144 nan 8.240 nan 0.000 0.533 171 A N 1.453 124.268 122.820 -0.008 0.000 2.366 171 A HA 0.649 4.969 4.320 -0.001 0.000 0.249 171 A C 0.261 177.837 177.584 -0.012 0.000 1.084 171 A CA -0.492 51.535 52.037 -0.017 0.000 0.794 171 A CB 0.293 19.277 19.000 -0.027 0.000 1.034 171 A HN 0.471 nan 8.150 nan 0.000 0.491 172 S N -0.333 115.355 115.700 -0.019 0.000 2.542 172 S HA 0.562 5.032 4.470 -0.001 0.000 0.293 172 S C -0.939 173.643 174.600 -0.030 0.000 1.089 172 S CA -0.531 57.661 58.200 -0.014 0.000 0.961 172 S CB 1.489 64.685 63.200 -0.007 0.000 1.062 172 S HN 0.840 nan 8.310 nan 0.000 0.483 173 L N 3.163 124.368 121.223 -0.030 0.000 2.287 173 L HA 0.567 4.906 4.340 -0.001 0.000 0.287 173 L C -0.637 176.197 176.870 -0.060 0.000 1.022 173 L CA -0.304 54.498 54.840 -0.063 0.000 0.814 173 L CB 0.599 42.604 42.059 -0.089 0.000 1.217 173 L HN 0.669 nan 8.230 nan 0.000 0.420 174 M N 5.428 124.986 119.600 -0.069 0.000 2.185 174 M HA 0.436 4.915 4.480 -0.001 0.000 0.357 174 M C -0.842 175.511 176.300 0.089 0.000 1.260 174 M CA -0.466 54.844 55.300 0.017 0.000 1.124 174 M CB 1.342 33.925 32.600 -0.029 0.000 1.600 174 M HN 0.372 nan 8.290 nan 0.000 0.467 175 V N 2.228 122.197 119.914 0.092 0.000 2.709 175 V HA 0.853 4.973 4.120 -0.001 0.000 0.308 175 V C -0.588 175.478 176.094 -0.047 0.000 1.062 175 V CA -0.804 61.458 62.300 -0.064 0.000 0.901 175 V CB 1.915 33.456 31.823 -0.471 0.000 1.003 175 V HN 0.965 nan 8.190 nan 0.000 0.425 176 A N 4.855 127.628 122.820 -0.078 0.000 2.408 176 A HA 0.805 5.124 4.320 -0.001 0.000 0.295 176 A C -1.424 176.099 177.584 -0.102 0.000 1.040 176 A CA -0.426 51.548 52.037 -0.106 0.000 0.707 176 A CB 1.658 20.498 19.000 -0.267 0.000 1.235 176 A HN 0.762 nan 8.150 nan 0.000 0.418 177 L N 3.126 124.315 121.223 -0.056 0.000 2.324 177 L HA 0.396 4.735 4.340 -0.001 0.000 0.274 177 L C -0.669 176.210 176.870 0.015 0.000 1.012 177 L CA -0.226 54.605 54.840 -0.015 0.000 0.859 177 L CB 1.032 43.171 42.059 0.134 0.000 1.224 177 L HN 0.915 nan 8.230 nan 0.000 0.429 178 D N 2.206 122.612 120.400 0.010 0.000 2.597 178 D HA 0.041 4.680 4.640 -0.001 0.000 0.228 178 D C 1.104 177.412 176.300 0.015 0.000 1.120 178 D CA 0.225 54.239 54.000 0.024 0.000 1.083 178 D CB 0.684 41.539 40.800 0.092 0.000 1.116 178 D HN 0.494 nan 8.370 nan 0.000 0.487 179 S N 1.848 117.560 115.700 0.020 0.000 2.383 179 S HA -0.179 4.290 4.470 -0.001 0.000 0.229 179 S C 1.333 175.951 174.600 0.030 0.000 1.030 179 S CA 0.924 59.140 58.200 0.027 0.000 1.002 179 S CB -0.236 62.985 63.200 0.034 0.000 0.829 179 S HN 0.642 nan 8.310 nan 0.000 0.467 180 N N 1.378 120.089 118.700 0.019 0.000 2.370 180 N HA 0.117 4.857 4.740 -0.001 0.000 0.198 180 N C -0.713 174.803 175.510 0.010 0.000 1.156 180 N CA -0.212 52.848 53.050 0.017 0.000 0.839 180 N CB -0.025 38.466 38.487 0.007 0.000 0.989 180 N HN 0.194 nan 8.380 nan 0.000 0.468 181 N N 0.877 119.585 118.700 0.014 0.000 2.667 181 N HA -0.143 4.596 4.740 -0.001 0.000 0.263 181 N C 0.196 175.690 175.510 -0.027 0.000 1.038 181 N CA 0.621 53.682 53.050 0.018 0.000 0.749 181 N CB -0.691 37.815 38.487 0.032 0.000 0.892 181 N HN 0.313 nan 8.380 nan 0.000 0.546 182 T N -0.704 113.804 114.554 -0.077 0.000 2.894 182 T HA 0.065 4.414 4.350 -0.001 0.000 0.258 182 T C 1.265 175.748 174.700 -0.361 0.000 1.043 182 T CA 0.391 62.398 62.100 -0.156 0.000 1.141 182 T CB 0.193 68.977 68.868 -0.140 0.000 0.873 182 T HN 0.192 nan 8.240 nan 0.000 0.449 183 M N 1.642 121.050 119.600 -0.320 0.000 2.226 183 M HA 0.270 4.749 4.480 -0.001 0.000 0.324 183 M C -2.421 173.773 176.300 -0.178 0.000 1.112 183 M CA -2.572 52.488 55.300 -0.400 0.000 1.176 183 M CB 0.073 32.508 32.600 -0.274 0.000 1.430 183 M HN -0.137 nan 8.290 nan 0.000 0.462 184 P HA 0.018 nan 4.420 nan 0.000 0.268 184 P C -1.080 176.436 177.300 0.359 0.000 1.205 184 P CA -0.103 63.077 63.100 0.134 0.000 0.771 184 P CB 0.168 31.964 31.700 0.160 0.000 0.858 185 F N 3.422 123.488 119.950 0.193 0.000 2.466 185 F HA 0.235 4.761 4.527 -0.001 0.000 0.363 185 F C 0.490 176.444 175.800 0.256 0.000 1.109 185 F CA 0.087 58.216 58.000 0.215 0.000 1.161 185 F CB -0.093 39.020 39.000 0.188 0.000 1.117 185 F HN 0.141 nan 8.300 nan 0.000 0.539 186 T N 5.545 120.047 114.554 -0.087 0.000 3.331 186 T HA 0.383 4.732 4.350 -0.001 0.000 0.381 186 T C -2.803 171.764 174.700 -0.221 0.000 1.656 186 T CA -2.047 60.039 62.100 -0.024 0.000 1.453 186 T CB 0.218 69.270 68.868 0.307 0.000 1.066 186 T HN 0.344 nan 8.240 nan 0.000 0.655 187 P HA 0.234 nan 4.420 nan 0.000 0.266 187 P C 0.890 178.086 177.300 -0.174 0.000 1.215 187 P CA -0.185 62.690 63.100 -0.376 0.000 0.763 187 P CB 0.921 32.413 31.700 -0.346 0.000 0.806 188 A N 4.059 126.789 122.820 -0.149 0.000 2.168 188 A HA 0.073 4.392 4.320 -0.001 0.000 0.215 188 A C 2.104 179.622 177.584 -0.110 0.000 1.152 188 A CA 1.229 53.209 52.037 -0.094 0.000 0.716 188 A CB -0.803 18.150 19.000 -0.078 0.000 0.794 188 A HN 0.547 nan 8.150 nan 0.000 0.465 189 A N -0.463 122.279 122.820 -0.129 0.000 2.015 189 A HA -0.090 4.230 4.320 -0.001 0.000 0.219 189 A C 2.067 179.628 177.584 -0.039 0.000 1.163 189 A CA 1.493 53.467 52.037 -0.104 0.000 0.646 189 A CB -0.495 18.443 19.000 -0.103 0.000 0.806 189 A HN 0.575 nan 8.150 nan 0.000 0.448 190 M N -0.581 119.002 119.600 -0.029 0.000 2.460 190 M HA -0.059 4.420 4.480 -0.001 0.000 0.263 190 M C 0.673 176.967 176.300 -0.011 0.000 1.071 190 M CA 1.247 56.544 55.300 -0.005 0.000 1.096 190 M CB -0.073 32.531 32.600 0.006 0.000 1.408 190 M HN 0.329 nan 8.290 nan 0.000 0.463 191 R N -0.648 119.838 120.500 -0.023 0.000 2.659 191 R HA 0.159 4.499 4.340 -0.001 0.000 0.418 191 R C 0.506 176.792 176.300 -0.023 0.000 1.076 191 R CA 0.132 56.222 56.100 -0.016 0.000 1.093 191 R CB 0.211 30.500 30.300 -0.018 0.000 1.400 191 R HN 0.323 nan 8.270 nan 0.000 0.583 192 S N 1.750 117.416 115.700 -0.056 0.000 3.447 192 S HA -0.190 4.279 4.470 -0.001 0.000 0.371 192 S C 0.122 174.618 174.600 -0.174 0.000 0.951 192 S CA 0.926 59.029 58.200 -0.162 0.000 1.269 192 S CB -0.879 62.316 63.200 -0.009 0.000 0.919 192 S HN 0.609 nan 8.310 nan 0.000 0.516 193 E N 0.840 120.947 120.200 -0.154 0.000 3.157 193 E HA 0.146 4.496 4.350 -0.001 0.000 0.203 193 E C 0.519 177.079 176.600 -0.067 0.000 0.982 193 E CA -0.152 56.223 56.400 -0.042 0.000 1.217 193 E CB 0.823 30.518 29.700 -0.008 0.000 1.123 193 E HN 0.638 nan 8.360 nan 0.000 0.457 194 T N 0.302 114.755 114.554 -0.168 0.000 2.833 194 T HA 0.222 4.572 4.350 -0.001 0.000 0.312 194 T C 0.337 175.042 174.700 0.010 0.000 1.085 194 T CA -0.650 61.386 62.100 -0.107 0.000 0.955 194 T CB 0.803 69.603 68.868 -0.112 0.000 1.353 194 T HN -0.061 nan 8.240 nan 0.000 0.544 195 L N 0.882 122.064 121.223 -0.067 0.000 2.439 195 L HA 0.482 4.821 4.340 -0.001 0.000 0.261 195 L C 1.408 178.303 176.870 0.043 0.000 1.153 195 L CA 0.225 54.995 54.840 -0.116 0.000 0.808 195 L CB -0.303 41.539 42.059 -0.363 0.000 1.126 195 L HN 0.874 nan 8.230 nan 0.000 0.460 196 G N 0.505 109.280 108.800 -0.042 0.000 2.794 196 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.249 196 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.249 196 G C 0.099 175.114 174.900 0.192 0.000 1.236 196 G CA -0.094 44.971 45.100 -0.058 0.000 0.880 196 G HN 0.466 nan 8.290 nan 0.000 0.586 197 F N -1.118 118.651 119.950 -0.301 0.000 2.688 197 F HA 0.348 4.875 4.527 -0.001 0.000 0.310 197 F C -0.310 175.084 175.800 -0.677 0.000 1.098 197 F CA -1.119 56.592 58.000 -0.482 0.000 1.228 197 F CB -0.167 38.471 39.000 -0.602 0.000 1.042 197 F HN 0.214 nan 8.300 nan 0.000 0.557 198 Y N 0.406 120.628 120.300 -0.130 0.000 2.350 198 Y HA 0.388 4.938 4.550 -0.001 0.000 0.338 198 Y C -1.650 174.013 175.900 -0.394 0.000 0.961 198 Y CA -2.671 55.131 58.100 -0.497 0.000 1.100 198 Y CB 0.924 38.893 38.460 -0.819 0.000 1.179 198 Y HN -0.195 nan 8.280 nan 0.000 0.454 199 P HA -0.178 nan 4.420 nan 0.000 0.216 199 P C 0.568 178.100 177.300 0.387 0.000 1.150 199 P CA 1.730 65.004 63.100 0.290 0.000 0.837 199 P CB -0.006 32.023 31.700 0.548 0.000 0.786 200 W N -0.285 121.184 121.300 0.283 0.000 3.400 200 W HA 0.382 5.041 4.660 -0.001 0.000 0.347 200 W C 0.067 176.656 176.519 0.116 0.000 1.218 200 W CA -0.620 56.832 57.345 0.178 0.000 1.837 200 W CB -0.487 29.049 29.460 0.126 0.000 1.067 200 W HN -0.178 nan 8.180 nan 0.000 0.701 201 K N 2.169 122.541 120.400 -0.047 0.000 2.535 201 K HA 0.360 4.680 4.320 -0.001 0.000 0.253 201 K C -2.583 173.983 176.600 -0.056 0.000 0.953 201 K CA -2.028 54.217 56.287 -0.070 0.000 0.863 201 K CB 1.295 33.696 32.500 -0.166 0.000 1.111 201 K HN -0.274 nan 8.250 nan 0.000 0.431 202 P HA -0.063 nan 4.420 nan 0.000 0.266 202 P C -0.583 176.633 177.300 -0.139 0.000 1.186 202 P CA 0.019 63.033 63.100 -0.142 0.000 0.767 202 P CB 1.002 32.602 31.700 -0.167 0.000 0.820 203 T N 1.230 115.687 114.554 -0.161 0.000 2.598 203 T HA 0.836 5.186 4.350 -0.001 0.000 0.254 203 T C -0.954 173.656 174.700 -0.150 0.000 0.889 203 T CA -0.750 61.260 62.100 -0.150 0.000 1.091 203 T CB 0.458 69.239 68.868 -0.144 0.000 1.437 203 T HN 0.386 nan 8.240 nan 0.000 0.542 204 I N -0.776 119.714 120.570 -0.132 0.000 2.947 204 I HA 0.639 4.809 4.170 -0.001 0.000 0.301 204 I C -3.091 172.980 176.117 -0.076 0.000 1.453 204 I CA -2.436 58.806 61.300 -0.098 0.000 0.984 204 I CB 2.337 40.316 38.000 -0.034 0.000 1.333 204 I HN 0.418 nan 8.210 nan 0.000 0.475 205 P HA 0.321 nan 4.420 nan 0.000 0.280 205 P C -0.723 176.604 177.300 0.044 0.000 1.272 205 P CA -0.135 62.971 63.100 0.009 0.000 0.819 205 P CB 1.545 33.295 31.700 0.083 0.000 1.122 206 T N -2.993 111.604 114.554 0.072 0.000 2.895 206 T HA 0.494 4.843 4.350 -0.001 0.000 0.283 206 T C -2.707 172.093 174.700 0.166 0.000 1.014 206 T CA -2.669 59.488 62.100 0.095 0.000 1.037 206 T CB 0.487 69.403 68.868 0.080 0.000 1.006 206 T HN 0.132 nan 8.240 nan 0.000 0.468 207 P HA 0.091 nan 4.420 nan 0.000 0.264 207 P C -1.141 176.312 177.300 0.255 0.000 1.193 207 P CA -0.245 62.957 63.100 0.170 0.000 0.763 207 P CB 0.228 31.978 31.700 0.083 0.000 0.810 208 W N 6.736 128.134 121.300 0.163 0.000 2.315 208 W HA 0.391 5.051 4.660 -0.001 0.000 0.316 208 W C -0.022 176.599 176.519 0.171 0.000 1.211 208 W CA 0.028 57.496 57.345 0.204 0.000 1.201 208 W CB 0.659 30.317 29.460 0.330 0.000 1.184 208 W HN 0.321 nan 8.180 nan 0.000 0.544 209 R N 5.366 125.498 120.500 -0.613 0.000 2.680 209 R HA 0.487 4.826 4.340 -0.001 0.000 0.269 209 R C -2.136 173.760 176.300 -0.673 0.000 1.026 209 R CA -0.763 54.973 56.100 -0.607 0.000 0.889 209 R CB 1.278 31.388 30.300 -0.316 0.000 1.241 209 R HN 0.680 nan 8.270 nan 0.000 0.463 210 Y N -1.499 118.462 120.300 -0.565 0.000 2.588 210 Y HA 0.604 5.153 4.550 -0.001 0.000 0.343 210 Y C -1.164 174.684 175.900 -0.087 0.000 1.065 210 Y CA -1.726 56.158 58.100 -0.359 0.000 1.038 210 Y CB 0.614 38.922 38.460 -0.253 0.000 1.297 210 Y HN 0.430 nan 8.280 nan 0.000 0.467 211 Y N 1.870 122.324 120.300 0.255 0.000 2.578 211 Y HA 0.273 4.823 4.550 -0.001 0.000 0.339 211 Y C -0.314 175.833 175.900 0.411 0.000 1.231 211 Y CA -0.067 58.231 58.100 0.330 0.000 1.461 211 Y CB 0.287 38.964 38.460 0.363 0.000 1.323 211 Y HN 0.646 nan 8.280 nan 0.000 0.590 212 F N 2.758 123.004 119.950 0.494 0.000 2.540 212 F HA 0.306 4.833 4.527 -0.001 0.000 0.317 212 F C -0.271 175.809 175.800 0.467 0.000 1.104 212 F CA -1.208 57.009 58.000 0.362 0.000 0.913 212 F CB 1.217 40.343 39.000 0.210 0.000 1.170 212 F HN 0.366 nan 8.300 nan 0.000 0.450 213 Q N 4.844 124.701 119.800 0.095 0.000 2.315 213 Q HA 0.126 4.466 4.340 -0.001 0.000 0.289 213 Q C -1.402 174.854 176.000 0.427 0.000 1.044 213 Q CA 0.550 56.409 55.803 0.093 0.000 0.920 213 Q CB 0.771 29.418 28.738 -0.152 0.000 1.214 213 Q HN 0.747 nan 8.270 nan 0.000 0.392 214 W N 2.971 124.345 121.300 0.124 0.000 3.146 214 W HA 0.504 5.164 4.660 -0.001 0.000 0.319 214 W C -1.737 174.746 176.519 -0.061 0.000 1.258 214 W CA -0.887 56.497 57.345 0.066 0.000 1.189 214 W CB 0.789 30.377 29.460 0.213 0.000 1.412 214 W HN 0.344 nan 8.180 nan 0.000 0.567 215 D N 2.398 122.773 120.400 -0.042 0.000 2.185 215 D HA 0.491 5.130 4.640 -0.001 0.000 0.247 215 D C -0.929 175.443 176.300 0.120 0.000 1.027 215 D CA -0.488 53.454 54.000 -0.096 0.000 0.861 215 D CB 1.692 42.409 40.800 -0.138 0.000 1.202 215 D HN 0.413 nan 8.370 nan 0.000 0.453 216 R N 1.555 122.178 120.500 0.205 0.000 2.536 216 R HA 0.281 4.620 4.340 -0.001 0.000 0.269 216 R C -1.831 174.650 176.300 0.303 0.000 1.113 216 R CA -0.439 55.897 56.100 0.392 0.000 0.948 216 R CB 1.523 32.136 30.300 0.521 0.000 1.237 216 R HN 0.397 nan 8.270 nan 0.000 0.441 217 T N 4.417 119.201 114.554 0.384 0.000 2.807 217 T HA 0.594 4.943 4.350 -0.001 0.000 0.279 217 T C -1.096 173.701 174.700 0.162 0.000 0.993 217 T CA -0.504 61.754 62.100 0.263 0.000 0.970 217 T CB 1.069 70.151 68.868 0.357 0.000 0.950 217 T HN 0.400 nan 8.240 nan 0.000 0.441 218 L N 4.849 126.138 121.223 0.109 0.000 2.482 218 L HA 0.614 4.954 4.340 -0.001 0.000 0.269 218 L C -1.523 175.369 176.870 0.037 0.000 0.967 218 L CA -0.496 54.385 54.840 0.068 0.000 0.851 218 L CB 1.048 43.149 42.059 0.070 0.000 1.242 218 L HN 0.645 nan 8.230 nan 0.000 0.404 219 I N 6.515 127.097 120.570 0.020 0.000 2.331 219 I HA 0.393 4.563 4.170 -0.001 0.000 0.292 219 I C -1.797 174.309 176.117 -0.018 0.000 0.998 219 I CA -1.806 59.496 61.300 0.003 0.000 1.267 219 I CB 1.391 39.394 38.000 0.005 0.000 1.386 219 I HN 0.500 nan 8.210 nan 0.000 0.476 220 P HA 0.028 nan 4.420 nan 0.000 0.267 220 P C -0.923 176.349 177.300 -0.046 0.000 1.201 220 P CA 0.139 63.216 63.100 -0.038 0.000 0.775 220 P CB 0.502 32.187 31.700 -0.025 0.000 0.854 221 S N -0.145 115.518 115.700 -0.061 0.000 2.558 221 S HA 0.577 5.046 4.470 -0.001 0.000 0.277 221 S C -1.192 173.348 174.600 -0.100 0.000 1.143 221 S CA -1.010 57.115 58.200 -0.126 0.000 0.865 221 S CB 0.809 63.924 63.200 -0.141 0.000 1.102 221 S HN 0.706 nan 8.310 nan 0.000 0.454 222 H N -1.289 117.763 119.070 -0.030 0.000 2.754 222 H HA 0.712 5.268 4.556 -0.001 0.000 0.352 222 H C 1.258 176.572 175.328 -0.023 0.000 1.213 222 H CA -0.316 55.715 56.048 -0.030 0.000 1.244 222 H CB -0.122 29.625 29.762 -0.025 0.000 1.843 222 H HN 0.390 nan 8.280 nan 0.000 0.587 223 T N 0.466 115.110 114.554 0.151 0.000 2.680 223 T HA -0.230 4.119 4.350 -0.001 0.000 0.268 223 T C 2.054 176.800 174.700 0.077 0.000 1.033 223 T CA 2.420 64.573 62.100 0.089 0.000 1.152 223 T CB -0.881 68.045 68.868 0.096 0.000 0.859 223 T HN 0.875 nan 8.240 nan 0.000 0.452 224 G N 0.378 109.352 108.800 0.289 0.000 2.464 224 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.217 224 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.217 224 G C 0.708 175.558 174.900 -0.084 0.000 1.138 224 G CA 0.345 45.550 45.100 0.175 0.000 0.793 224 G HN 0.433 nan 8.290 nan 0.000 0.539 225 T N 1.670 115.879 114.554 -0.575 0.000 2.830 225 T HA 0.237 4.586 4.350 -0.001 0.000 0.282 225 T C 0.840 175.436 174.700 -0.173 0.000 1.024 225 T CA 0.741 62.579 62.100 -0.437 0.000 1.144 225 T CB 0.396 68.975 68.868 -0.481 0.000 1.035 225 T HN 0.428 nan 8.240 nan 0.000 0.507 226 S N 2.623 118.261 115.700 -0.104 0.000 2.578 226 S HA 0.738 5.207 4.470 -0.001 0.000 0.283 226 S C 0.569 175.139 174.600 -0.051 0.000 1.195 226 S CA -0.199 57.967 58.200 -0.056 0.000 1.050 226 S CB 1.389 64.572 63.200 -0.029 0.000 1.012 226 S HN 1.490 nan 8.310 nan 0.000 0.511 227 G N 1.609 110.386 108.800 -0.038 0.000 2.856 227 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.674 227 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.674 227 G C -0.068 174.809 174.900 -0.038 0.000 1.519 227 G CA -0.430 44.651 45.100 -0.032 0.000 0.940 227 G HN 2.022 nan 8.290 nan 0.000 0.564 228 T N 0.837 115.373 114.554 -0.031 0.000 2.779 228 T HA 0.583 4.933 4.350 -0.001 0.000 0.296 228 T C -1.223 173.459 174.700 -0.031 0.000 0.938 228 T CA -0.542 61.538 62.100 -0.032 0.000 1.119 228 T CB 1.180 70.033 68.868 -0.025 0.000 0.891 228 T HN 0.595 nan 8.240 nan 0.000 0.526 229 P HA 0.293 nan 4.420 nan 0.000 0.277 229 P C -0.281 177.009 177.300 -0.016 0.000 1.276 229 P CA -0.637 62.445 63.100 -0.031 0.000 0.788 229 P CB 0.273 31.948 31.700 -0.042 0.000 1.114 230 T N 2.043 116.594 114.554 -0.005 0.000 2.729 230 T HA 0.323 4.672 4.350 -0.001 0.000 0.296 230 T C -0.086 174.624 174.700 0.016 0.000 0.928 230 T CA -0.065 62.040 62.100 0.008 0.000 1.045 230 T CB -0.486 68.397 68.868 0.026 0.000 0.902 230 T HN 0.332 nan 8.240 nan 0.000 0.500 231 N N 2.928 121.633 118.700 0.008 0.000 2.581 231 N HA 0.420 5.160 4.740 -0.001 0.000 0.279 231 N C -1.513 174.001 175.510 0.005 0.000 1.124 231 N CA -0.607 52.454 53.050 0.019 0.000 0.833 231 N CB 1.428 39.919 38.487 0.008 0.000 1.338 231 N HN 0.490 nan 8.380 nan 0.000 0.533 232 V N 3.732 123.651 119.914 0.008 0.000 2.891 232 V HA 0.549 4.668 4.120 -0.001 0.000 0.304 232 V C -1.980 174.091 176.094 -0.039 0.000 1.171 232 V CA -0.858 61.400 62.300 -0.071 0.000 0.943 232 V CB 1.613 33.294 31.823 -0.238 0.000 1.037 232 V HN 0.502 nan 8.190 nan 0.000 0.427 233 Y N 5.274 125.519 120.300 -0.092 0.000 2.425 233 Y HA 0.552 5.101 4.550 -0.001 0.000 0.347 233 Y C 0.841 176.732 175.900 -0.016 0.000 0.976 233 Y CA 0.198 58.323 58.100 0.041 0.000 1.190 233 Y CB 1.167 39.635 38.460 0.013 0.000 1.136 233 Y HN 0.905 nan 8.280 nan 0.000 0.517 234 H N 3.536 122.458 119.070 -0.248 0.000 2.436 234 H HA 0.337 4.892 4.556 -0.001 0.000 0.294 234 H C 1.324 176.493 175.328 -0.265 0.000 1.048 234 H CA 0.802 56.745 56.048 -0.174 0.000 1.353 234 H CB 0.117 29.812 29.762 -0.111 0.000 1.414 234 H HN 0.905 nan 8.280 nan 0.000 0.536 235 G N -1.038 107.422 108.800 -0.566 0.000 2.250 235 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.252 235 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.252 235 G C -0.958 173.914 174.900 -0.048 0.000 1.325 235 G CA -0.370 44.586 45.100 -0.239 0.000 1.091 235 G HN 0.169 nan 8.290 nan 0.000 0.476 236 T N 1.177 115.805 114.554 0.123 0.000 2.823 236 T HA 0.552 4.901 4.350 -0.001 0.000 0.279 236 T C -1.094 173.666 174.700 0.100 0.000 0.998 236 T CA -0.265 61.950 62.100 0.191 0.000 0.994 236 T CB 1.776 70.862 68.868 0.362 0.000 0.960 236 T HN 0.611 nan 8.240 nan 0.000 0.448 237 D N 3.964 124.393 120.400 0.048 0.000 2.313 237 D HA 0.190 4.829 4.640 -0.001 0.000 0.239 237 D C -1.049 175.256 176.300 0.009 0.000 1.142 237 D CA -2.352 51.650 54.000 0.004 0.000 0.847 237 D CB 1.593 42.368 40.800 -0.043 0.000 1.082 237 D HN 0.126 nan 8.370 nan 0.000 0.480 238 P HA -0.184 nan 4.420 nan 0.000 0.216 238 P C 0.462 177.756 177.300 -0.011 0.000 1.154 238 P CA 1.068 64.181 63.100 0.022 0.000 0.865 238 P CB 0.426 32.141 31.700 0.024 0.000 0.789 239 D N -0.248 120.139 120.400 -0.023 0.000 2.350 239 D HA -0.078 4.561 4.640 -0.001 0.000 0.216 239 D C 0.558 176.821 176.300 -0.060 0.000 0.968 239 D CA 0.944 54.923 54.000 -0.036 0.000 0.894 239 D CB -0.331 40.449 40.800 -0.033 0.000 0.909 239 D HN 0.277 nan 8.370 nan 0.000 0.520 240 D N -0.210 120.139 120.400 -0.084 0.000 2.501 240 D HA 0.076 4.715 4.640 -0.001 0.000 0.224 240 D C -0.047 176.129 176.300 -0.206 0.000 1.202 240 D CA -0.152 53.773 54.000 -0.125 0.000 0.829 240 D CB 1.075 41.798 40.800 -0.130 0.000 1.023 240 D HN -0.067 nan 8.370 nan 0.000 0.499 241 V N 1.588 121.386 119.914 -0.194 0.000 2.488 241 V HA 0.176 4.296 4.120 -0.001 0.000 0.277 241 V C 0.218 176.155 176.094 -0.262 0.000 1.046 241 V CA 0.069 62.179 62.300 -0.317 0.000 0.986 241 V CB 1.032 32.796 31.823 -0.097 0.000 0.989 241 V HN 0.024 nan 8.190 nan 0.000 0.475 242 Q N 4.854 124.431 119.800 -0.372 0.000 2.444 242 Q HA 0.331 4.670 4.340 -0.001 0.000 0.251 242 Q C -1.294 174.590 176.000 -0.194 0.000 0.939 242 Q CA -0.523 55.076 55.803 -0.341 0.000 0.740 242 Q CB 2.215 30.676 28.738 -0.460 0.000 1.308 242 Q HN 0.688 nan 8.270 nan 0.000 0.461 243 F N 3.540 123.382 119.950 -0.180 0.000 2.350 243 F HA 0.382 4.909 4.527 -0.001 0.000 0.365 243 F C -1.415 174.361 175.800 -0.040 0.000 1.122 243 F CA -1.130 56.908 58.000 0.062 0.000 1.139 243 F CB 0.172 39.250 39.000 0.130 0.000 1.220 243 F HN 0.344 nan 8.300 nan 0.000 0.499 244 Y N 3.375 123.757 120.300 0.137 0.000 2.310 244 Y HA 0.495 5.045 4.550 -0.001 0.000 0.326 244 Y C 0.659 176.324 175.900 -0.392 0.000 1.151 244 Y CA -0.566 57.420 58.100 -0.190 0.000 1.195 244 Y CB 1.555 39.866 38.460 -0.249 0.000 1.210 244 Y HN 0.465 nan 8.280 nan 0.000 0.483 245 T N 4.214 118.609 114.554 -0.265 0.000 2.881 245 T HA 0.385 4.734 4.350 -0.001 0.000 0.290 245 T C 1.141 175.752 174.700 -0.148 0.000 1.000 245 T CA -0.521 61.355 62.100 -0.374 0.000 0.978 245 T CB 0.912 69.429 68.868 -0.585 0.000 0.997 245 T HN 0.601 nan 8.240 nan 0.000 0.443 246 I N 1.743 122.259 120.570 -0.090 0.000 2.193 246 I HA -0.120 4.049 4.170 -0.001 0.000 0.240 246 I C 2.260 178.265 176.117 -0.186 0.000 1.084 246 I CA 1.199 62.289 61.300 -0.351 0.000 1.365 246 I CB -0.024 37.405 38.000 -0.952 0.000 1.064 246 I HN 0.660 nan 8.210 nan 0.000 0.410 247 E N 1.170 121.371 120.200 0.002 0.000 2.108 247 E HA -0.278 4.071 4.350 -0.001 0.000 0.203 247 E C 1.720 178.319 176.600 -0.001 0.000 1.022 247 E CA 1.904 58.348 56.400 0.073 0.000 0.823 247 E CB -0.488 29.317 29.700 0.176 0.000 0.744 247 E HN 0.498 nan 8.360 nan 0.000 0.456 248 N N -1.071 117.603 118.700 -0.043 0.000 2.457 248 N HA -0.031 4.708 4.740 -0.001 0.000 0.180 248 N C 0.702 176.180 175.510 -0.054 0.000 1.050 248 N CA 1.076 54.094 53.050 -0.053 0.000 0.906 248 N CB 0.345 38.778 38.487 -0.090 0.000 0.968 248 N HN 0.157 nan 8.380 nan 0.000 0.445 249 S N -1.668 113.985 115.700 -0.079 0.000 2.780 249 S HA 0.338 4.808 4.470 -0.001 0.000 0.248 249 S C -0.197 174.356 174.600 -0.079 0.000 1.036 249 S CA -0.546 57.613 58.200 -0.068 0.000 1.061 249 S CB 0.326 63.487 63.200 -0.065 0.000 1.037 249 S HN -0.132 nan 8.310 nan 0.000 0.584 250 V N 3.046 122.904 119.914 -0.093 0.000 2.808 250 V HA 0.570 4.689 4.120 -0.001 0.000 0.308 250 V C -2.735 173.334 176.094 -0.041 0.000 1.099 250 V CA -1.925 60.327 62.300 -0.080 0.000 0.920 250 V CB 2.292 34.024 31.823 -0.151 0.000 1.014 250 V HN 0.162 nan 8.190 nan 0.000 0.425 251 P HA 0.341 nan 4.420 nan 0.000 0.276 251 P C -0.942 176.411 177.300 0.088 0.000 1.230 251 P CA -0.077 63.051 63.100 0.046 0.000 0.776 251 P CB 1.619 33.367 31.700 0.079 0.000 0.888 252 V N 4.325 124.282 119.914 0.072 0.000 2.483 252 V HA 0.270 4.389 4.120 -0.001 0.000 0.295 252 V C 0.034 176.174 176.094 0.077 0.000 1.035 252 V CA -0.508 61.872 62.300 0.133 0.000 0.896 252 V CB 0.978 32.916 31.823 0.191 0.000 0.986 252 V HN 0.576 nan 8.190 nan 0.000 0.447 253 H N 3.624 122.724 119.070 0.050 0.000 2.472 253 H HA 0.652 5.207 4.556 -0.001 0.000 0.338 253 H C -0.554 174.796 175.328 0.037 0.000 1.133 253 H CA -0.498 55.583 56.048 0.055 0.000 1.216 253 H CB 1.432 31.242 29.762 0.079 0.000 1.497 253 H HN 0.466 nan 8.280 nan 0.000 0.500 254 L N 4.446 125.732 121.223 0.104 0.000 2.280 254 L HA 0.362 4.702 4.340 -0.001 0.000 0.287 254 L C -0.733 176.184 176.870 0.079 0.000 1.023 254 L CA -0.465 54.414 54.840 0.065 0.000 0.819 254 L CB 0.802 42.880 42.059 0.031 0.000 1.212 254 L HN 0.337 nan 8.230 nan 0.000 0.420 255 L N 4.122 125.379 121.223 0.058 0.000 2.287 255 L HA 0.562 4.901 4.340 -0.001 0.000 0.287 255 L C 0.196 177.092 176.870 0.044 0.000 1.022 255 L CA -0.561 54.318 54.840 0.066 0.000 0.814 255 L CB 1.524 43.617 42.059 0.056 0.000 1.217 255 L HN 0.654 nan 8.230 nan 0.000 0.420 256 R N 0.729 121.260 120.500 0.053 0.000 2.606 256 R HA 0.384 4.724 4.340 -0.001 0.000 0.249 256 R C 1.129 177.465 176.300 0.059 0.000 1.127 256 R CA -0.599 55.526 56.100 0.042 0.000 1.133 256 R CB 0.932 31.254 30.300 0.037 0.000 1.243 256 R HN 0.579 nan 8.270 nan 0.000 0.558 257 T N 0.181 114.769 114.554 0.056 0.000 2.624 257 T HA -0.214 4.135 4.350 -0.001 0.000 0.268 257 T C 1.857 176.610 174.700 0.089 0.000 1.041 257 T CA 1.825 63.970 62.100 0.075 0.000 1.159 257 T CB -0.639 68.267 68.868 0.064 0.000 0.863 257 T HN 0.865 nan 8.240 nan 0.000 0.434 258 G N 2.053 110.897 108.800 0.073 0.000 2.470 258 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.220 258 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.220 258 G C 0.458 175.408 174.900 0.084 0.000 1.121 258 G CA 0.372 45.516 45.100 0.073 0.000 0.766 258 G HN 0.423 nan 8.290 nan 0.000 0.553 259 D N -0.123 120.331 120.400 0.091 0.000 2.383 259 D HA 0.405 5.044 4.640 -0.001 0.000 0.248 259 D C 0.028 176.411 176.300 0.137 0.000 1.170 259 D CA 0.136 54.200 54.000 0.106 0.000 0.977 259 D CB 1.390 42.255 40.800 0.107 0.000 1.120 259 D HN 0.232 nan 8.370 nan 0.000 0.481 260 E N 0.351 120.641 120.200 0.150 0.000 2.392 260 E HA 0.345 4.694 4.350 -0.001 0.000 0.279 260 E C -2.047 174.676 176.600 0.206 0.000 0.964 260 E CA -0.665 55.849 56.400 0.189 0.000 0.777 260 E CB 2.025 31.825 29.700 0.167 0.000 1.249 260 E HN 0.290 nan 8.360 nan 0.000 0.449 261 F N 1.939 121.913 119.950 0.041 0.000 2.547 261 F HA 0.760 5.287 4.527 -0.001 0.000 0.316 261 F C -1.617 174.164 175.800 -0.032 0.000 1.121 261 F CA -0.263 57.719 58.000 -0.029 0.000 0.911 261 F CB 1.772 40.732 39.000 -0.066 0.000 1.179 261 F HN 0.530 nan 8.300 nan 0.000 0.443 262 A N 4.081 126.384 122.820 -0.861 0.000 2.393 262 A HA 0.678 4.997 4.320 -0.001 0.000 0.306 262 A C -0.698 176.354 177.584 -0.887 0.000 1.050 262 A CA -0.618 51.033 52.037 -0.642 0.000 0.724 262 A CB 1.369 20.158 19.000 -0.352 0.000 1.248 262 A HN 0.719 nan 8.150 nan 0.000 0.424 263 T N 1.297 115.529 114.554 -0.537 0.000 2.899 263 T HA 0.539 4.889 4.350 -0.001 0.000 0.284 263 T C 1.165 175.679 174.700 -0.310 0.000 1.004 263 T CA 0.657 62.532 62.100 -0.374 0.000 1.043 263 T CB 1.217 69.963 68.868 -0.203 0.000 1.013 263 T HN 1.007 nan 8.240 nan 0.000 0.518 264 G N 0.920 109.576 108.800 -0.241 0.000 2.485 264 G HA2 0.387 4.347 3.960 -0.001 0.000 0.260 264 G HA3 0.387 4.347 3.960 -0.001 0.000 0.260 264 G C -0.470 174.292 174.900 -0.229 0.000 1.459 264 G CA -0.349 44.631 45.100 -0.200 0.000 1.060 264 G HN 0.632 nan 8.290 nan 0.000 0.546 265 T N 0.468 114.897 114.554 -0.209 0.000 2.758 265 T HA 0.398 4.747 4.350 -0.001 0.000 0.285 265 T C -1.097 173.365 174.700 -0.396 0.000 0.981 265 T CA -0.084 61.805 62.100 -0.351 0.000 0.965 265 T CB 0.851 69.475 68.868 -0.406 0.000 0.927 265 T HN 0.308 nan 8.240 nan 0.000 0.448 266 F N 4.026 123.604 119.950 -0.621 0.000 2.404 266 F HA 0.664 5.190 4.527 -0.001 0.000 0.339 266 F C -1.308 173.983 175.800 -0.847 0.000 1.105 266 F CA -1.539 56.110 58.000 -0.585 0.000 1.087 266 F CB 0.525 39.169 39.000 -0.593 0.000 1.143 266 F HN 0.439 nan 8.300 nan 0.000 0.491 267 F N 6.593 125.923 119.950 -1.034 0.000 2.426 267 F HA 0.420 4.947 4.527 -0.001 0.000 0.348 267 F C -0.521 174.770 175.800 -0.850 0.000 1.124 267 F CA -0.682 56.915 58.000 -0.672 0.000 1.008 267 F CB 0.734 39.461 39.000 -0.455 0.000 1.139 267 F HN 0.271 nan 8.300 nan 0.000 0.452 268 F N 1.883 121.764 119.950 -0.115 0.000 2.435 268 F HA 0.190 4.716 4.527 -0.001 0.000 0.316 268 F C 0.843 176.615 175.800 -0.046 0.000 1.220 268 F CA -0.324 57.697 58.000 0.034 0.000 1.241 268 F CB 0.557 39.521 39.000 -0.061 0.000 1.234 268 F HN 0.426 nan 8.300 nan 0.000 0.569 269 D N -0.073 120.465 120.400 0.231 0.000 2.739 269 D HA 0.281 4.920 4.640 -0.001 0.000 0.335 269 D C -1.238 175.140 176.300 0.130 0.000 1.216 269 D CA -0.144 53.925 54.000 0.115 0.000 0.808 269 D CB -0.210 40.629 40.800 0.066 0.000 1.121 269 D HN 0.245 nan 8.370 nan 0.000 0.499 270 C N 0.505 119.883 119.300 0.131 0.000 2.614 270 C HA 0.535 4.994 4.460 -0.001 0.000 0.320 270 C C 0.525 175.609 174.990 0.157 0.000 1.200 270 C CA -1.003 58.102 59.018 0.145 0.000 1.700 270 C CB 1.747 29.587 27.740 0.167 0.000 2.275 270 C HN 0.248 nan 8.230 nan 0.000 0.492 271 K N 2.043 122.541 120.400 0.164 0.000 2.180 271 K HA 0.307 4.627 4.320 -0.001 0.000 0.251 271 K C -2.314 174.382 176.600 0.161 0.000 1.014 271 K CA -0.584 55.780 56.287 0.128 0.000 0.913 271 K CB 0.101 32.653 32.500 0.086 0.000 1.008 271 K HN 0.519 nan 8.250 nan 0.000 0.490 272 P HA 0.015 nan 4.420 nan 0.000 0.275 272 P C -0.602 176.712 177.300 0.024 0.000 1.227 272 P CA -0.448 62.553 63.100 -0.164 0.000 0.781 272 P CB 0.793 32.166 31.700 -0.546 0.000 0.906 273 C N 5.065 124.439 119.300 0.123 0.000 2.350 273 C HA 0.433 4.892 4.460 -0.001 0.000 0.348 273 C C 0.656 175.649 174.990 0.005 0.000 1.260 273 C CA -0.584 58.410 59.018 -0.040 0.000 1.966 273 C CB -0.316 27.266 27.740 -0.263 0.000 2.380 273 C HN 0.567 nan 8.230 nan 0.000 0.535 274 R N 4.440 124.931 120.500 -0.015 0.000 2.500 274 R HA 0.526 4.866 4.340 -0.001 0.000 0.277 274 R C -0.446 175.844 176.300 -0.015 0.000 1.026 274 R CA -0.554 55.545 56.100 -0.002 0.000 1.058 274 R CB 0.724 31.028 30.300 0.007 0.000 1.078 274 R HN 0.724 nan 8.270 nan 0.000 0.509 275 L N 1.666 122.871 121.223 -0.029 0.000 3.168 275 L HA 0.274 4.613 4.340 -0.001 0.000 0.277 275 L C -0.747 176.113 176.870 -0.018 0.000 1.308 275 L CA -0.196 54.612 54.840 -0.053 0.000 0.976 275 L CB 0.609 42.590 42.059 -0.130 0.000 1.383 275 L HN 0.757 nan 8.230 nan 0.000 0.572 276 T N -2.470 112.094 114.554 0.016 0.000 2.916 276 T HA 0.449 4.799 4.350 -0.001 0.000 0.305 276 T C -0.859 173.885 174.700 0.074 0.000 1.119 276 T CA -0.678 61.429 62.100 0.012 0.000 1.008 276 T CB 2.144 70.990 68.868 -0.036 0.000 1.129 276 T HN 0.226 nan 8.240 nan 0.000 0.480 277 H N -0.244 118.867 119.070 0.069 0.000 2.679 277 H HA 0.744 5.299 4.556 -0.001 0.000 0.367 277 H C -0.665 174.728 175.328 0.107 0.000 1.162 277 H CA -0.849 55.254 56.048 0.092 0.000 1.181 277 H CB 1.680 31.520 29.762 0.130 0.000 1.693 277 H HN 0.759 nan 8.280 nan 0.000 0.538 278 T N -0.349 114.308 114.554 0.171 0.000 2.944 278 T HA 0.254 4.604 4.350 -0.001 0.000 0.284 278 T C 0.698 175.564 174.700 0.277 0.000 1.010 278 T CA -0.760 61.376 62.100 0.060 0.000 1.025 278 T CB 1.378 70.221 68.868 -0.042 0.000 1.079 278 T HN 0.954 nan 8.240 nan 0.000 0.516 279 W N -0.457 120.931 121.300 0.146 0.000 2.520 279 W HA 0.293 4.953 4.660 -0.001 0.000 0.272 279 W C -0.126 176.456 176.519 0.106 0.000 0.984 279 W CA -0.633 56.812 57.345 0.166 0.000 1.314 279 W CB -0.230 29.346 29.460 0.193 0.000 0.945 279 W HN 0.548 nan 8.180 nan 0.000 0.596 280 Q N 2.794 122.166 119.800 -0.713 0.000 2.395 280 Q HA 0.245 4.584 4.340 -0.001 0.000 0.271 280 Q C 0.224 176.136 176.000 -0.147 0.000 1.026 280 Q CA 1.419 56.855 55.803 -0.612 0.000 0.900 280 Q CB 1.026 29.328 28.738 -0.727 0.000 1.266 280 Q HN -0.008 nan 8.270 nan 0.000 0.430 281 T N -1.502 113.029 114.554 -0.039 0.000 2.901 281 T HA 0.252 4.601 4.350 -0.001 0.000 0.293 281 T C 0.633 175.326 174.700 -0.012 0.000 1.084 281 T CA -1.007 61.101 62.100 0.013 0.000 1.008 281 T CB 0.964 69.885 68.868 0.087 0.000 1.170 281 T HN 0.574 nan 8.240 nan 0.000 0.509 282 N N 0.149 118.841 118.700 -0.014 0.000 2.182 282 N HA -0.188 4.551 4.740 -0.001 0.000 0.192 282 N C 1.568 177.079 175.510 0.002 0.000 1.007 282 N CA 0.788 53.820 53.050 -0.030 0.000 0.873 282 N CB -0.039 38.435 38.487 -0.022 0.000 0.998 282 N HN 0.300 nan 8.380 nan 0.000 0.436 283 R N 0.558 121.082 120.500 0.040 0.000 2.316 283 R HA 0.057 4.396 4.340 -0.001 0.000 0.202 283 R C 0.733 177.086 176.300 0.088 0.000 1.029 283 R CA 0.225 56.366 56.100 0.069 0.000 1.018 283 R CB 0.018 30.372 30.300 0.091 0.000 0.888 283 R HN 0.176 nan 8.270 nan 0.000 0.471 284 A N 0.331 123.194 122.820 0.072 0.000 2.616 284 A HA 0.336 4.656 4.320 -0.001 0.000 0.294 284 A C -0.042 177.552 177.584 0.016 0.000 1.091 284 A CA -0.391 51.700 52.037 0.090 0.000 0.971 284 A CB 0.377 19.477 19.000 0.167 0.000 1.222 284 A HN 0.037 nan 8.150 nan 0.000 0.521 285 L N 0.749 121.980 121.223 0.012 0.000 2.276 285 L HA 0.658 4.998 4.340 -0.001 0.000 0.286 285 L C 0.785 177.724 176.870 0.115 0.000 1.024 285 L CA 0.138 54.990 54.840 0.021 0.000 0.826 285 L CB 0.978 42.939 42.059 -0.164 0.000 1.211 285 L HN 0.575 nan 8.230 nan 0.000 0.422 286 G N 2.612 111.567 108.800 0.259 0.000 2.342 286 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.220 286 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.220 286 G C -1.561 173.424 174.900 0.142 0.000 1.243 286 G CA -0.961 44.285 45.100 0.243 0.000 1.083 286 G HN 0.384 nan 8.290 nan 0.000 0.500 287 L N 2.525 123.817 121.223 0.116 0.000 2.283 287 L HA 0.644 4.983 4.340 -0.001 0.000 0.287 287 L C -1.471 175.461 176.870 0.103 0.000 1.073 287 L CA -1.382 53.515 54.840 0.096 0.000 0.822 287 L CB 0.145 42.252 42.059 0.080 0.000 1.186 287 L HN 0.484 nan 8.230 nan 0.000 0.436 288 P HA 0.198 nan 4.420 nan 0.000 0.270 288 P C -2.560 174.812 177.300 0.120 0.000 1.223 288 P CA -0.771 62.394 63.100 0.108 0.000 0.785 288 P CB -0.331 31.433 31.700 0.107 0.000 0.923 289 P HA 0.025 nan 4.420 nan 0.000 0.268 289 P C -0.701 176.693 177.300 0.157 0.000 1.205 289 P CA -0.120 63.056 63.100 0.126 0.000 0.771 289 P CB 0.322 32.077 31.700 0.092 0.000 0.858 290 F N 4.152 124.127 119.950 0.041 0.000 2.502 290 F HA 0.141 4.668 4.527 -0.001 0.000 0.371 290 F C 0.228 176.051 175.800 0.037 0.000 1.083 290 F CA -0.505 57.517 58.000 0.037 0.000 1.174 290 F CB -0.133 38.886 39.000 0.032 0.000 1.096 290 F HN 0.121 nan 8.300 nan 0.000 0.545 291 L N 7.446 128.321 121.223 -0.580 0.000 2.385 291 L HA 0.113 4.453 4.340 -0.001 0.000 0.281 291 L C 0.840 177.262 176.870 -0.746 0.000 1.106 291 L CA -0.051 54.501 54.840 -0.479 0.000 0.856 291 L CB 0.179 42.071 42.059 -0.279 0.000 1.186 291 L HN 0.639 nan 8.230 nan 0.000 0.453 292 N N 0.543 118.998 118.700 -0.408 0.000 2.494 292 N HA -0.081 4.658 4.740 -0.001 0.000 0.182 292 N C 0.300 175.716 175.510 -0.155 0.000 1.076 292 N CA 0.301 53.199 53.050 -0.254 0.000 0.908 292 N CB 0.309 38.768 38.487 -0.047 0.000 0.967 292 N HN 0.512 nan 8.380 nan 0.000 0.449 293 S N 0.212 115.827 115.700 -0.142 0.000 2.707 293 S HA 0.510 4.979 4.470 -0.001 0.000 0.303 293 S C -1.176 173.379 174.600 -0.074 0.000 1.132 293 S CA -0.824 57.330 58.200 -0.077 0.000 1.046 293 S CB 0.298 63.477 63.200 -0.034 0.000 1.004 293 S HN 0.021 nan 8.310 nan 0.000 0.483 294 L N 4.572 125.757 121.223 -0.062 0.000 2.330 294 L HA 0.600 4.939 4.340 -0.001 0.000 0.271 294 L C -2.065 174.789 176.870 -0.027 0.000 1.013 294 L CA -2.504 52.308 54.840 -0.046 0.000 0.816 294 L CB 1.546 43.574 42.059 -0.052 0.000 1.287 294 L HN 0.484 nan 8.230 nan 0.000 0.435 295 P HA 0.026 nan 4.420 nan 0.000 0.267 295 P C -0.556 176.725 177.300 -0.032 0.000 1.201 295 P CA 0.010 63.092 63.100 -0.031 0.000 0.775 295 P CB 0.425 32.100 31.700 -0.041 0.000 0.854 296 Q N -0.375 119.403 119.800 -0.035 0.000 2.127 296 Q HA 0.220 4.559 4.340 -0.001 0.000 0.222 296 Q C -0.641 175.339 176.000 -0.033 0.000 0.794 296 Q CA -0.016 55.770 55.803 -0.029 0.000 1.010 296 Q CB 0.540 29.264 28.738 -0.023 0.000 1.170 296 Q HN 0.564 nan 8.270 nan 0.000 0.479 297 S N -0.459 115.215 115.700 -0.044 0.000 2.556 297 S HA 0.241 4.710 4.470 -0.001 0.000 0.280 297 S C -0.798 173.766 174.600 -0.060 0.000 1.141 297 S CA -1.106 57.066 58.200 -0.046 0.000 0.883 297 S CB 1.410 64.584 63.200 -0.043 0.000 1.103 297 S HN 0.134 nan 8.310 nan 0.000 0.453 298 E N 0.645 120.813 120.200 -0.054 0.000 2.459 298 E HA 0.418 4.768 4.350 -0.001 0.000 0.264 298 E C 0.426 176.976 176.600 -0.083 0.000 1.055 298 E CA 0.201 56.563 56.400 -0.062 0.000 0.957 298 E CB 0.209 29.880 29.700 -0.047 0.000 0.952 298 E HN 1.186 nan 8.360 nan 0.000 0.448 299 G N -0.320 108.417 108.800 -0.105 0.000 2.088 299 G HA2 0.229 4.188 3.960 -0.001 0.000 0.222 299 G HA3 0.229 4.188 3.960 -0.001 0.000 0.222 299 G C 0.138 174.912 174.900 -0.211 0.000 1.690 299 G CA -0.292 44.726 45.100 -0.137 0.000 0.923 299 G HN 0.485 nan 8.290 nan 0.000 0.730 300 A N 1.240 123.954 122.820 -0.176 0.000 2.076 300 A HA 0.145 4.465 4.320 -0.001 0.000 0.220 300 A C 2.046 179.353 177.584 -0.462 0.000 1.160 300 A CA 2.550 54.471 52.037 -0.194 0.000 0.653 300 A CB -0.145 18.808 19.000 -0.078 0.000 0.801 300 A HN 1.147 nan 8.150 nan 0.000 0.455 301 T N -0.080 114.170 114.554 -0.506 0.000 3.105 301 T HA 0.119 4.469 4.350 -0.001 0.000 0.253 301 T C -0.053 174.112 174.700 -0.891 0.000 1.047 301 T CA -0.193 61.458 62.100 -0.750 0.000 0.944 301 T CB -0.256 68.455 68.868 -0.262 0.000 1.016 301 T HN 0.419 nan 8.240 nan 0.000 0.544 302 N N 2.169 120.442 118.700 -0.712 0.000 2.767 302 N HA 0.402 5.142 4.740 -0.001 0.000 0.238 302 N C -1.022 174.246 175.510 -0.403 0.000 1.083 302 N CA -0.246 52.553 53.050 -0.419 0.000 0.964 302 N CB -0.032 38.320 38.487 -0.225 0.000 1.252 302 N HN 0.146 nan 8.380 nan 0.000 0.512 303 F N -0.198 119.742 119.950 -0.015 0.000 2.380 303 F HA 0.630 5.157 4.527 -0.001 0.000 0.321 303 F C 1.594 177.379 175.800 -0.024 0.000 1.103 303 F CA -0.982 57.008 58.000 -0.017 0.000 1.067 303 F CB 0.536 39.529 39.000 -0.012 0.000 1.265 303 F HN 0.191 nan 8.300 nan 0.000 0.517 304 G N -0.501 108.411 108.800 0.187 0.000 2.502 304 G HA2 0.450 4.410 3.960 -0.001 0.000 0.305 304 G HA3 0.450 4.410 3.960 -0.001 0.000 0.305 304 G C -1.850 173.083 174.900 0.054 0.000 1.190 304 G CA -0.275 44.864 45.100 0.065 0.000 0.933 304 G HN 0.534 nan 8.290 nan 0.000 0.503 305 D N -0.345 120.054 120.400 -0.002 0.000 2.788 305 D HA 0.253 4.892 4.640 -0.001 0.000 0.247 305 D C 1.450 177.724 176.300 -0.044 0.000 1.236 305 D CA -0.696 53.300 54.000 -0.006 0.000 0.898 305 D CB 1.610 42.416 40.800 0.011 0.000 1.401 305 D HN 0.139 nan 8.370 nan 0.000 0.549 306 I N 2.624 123.177 120.570 -0.028 0.000 2.194 306 I HA -0.155 4.014 4.170 -0.001 0.000 0.246 306 I C 1.660 177.764 176.117 -0.021 0.000 1.093 306 I CA 1.439 62.721 61.300 -0.030 0.000 1.355 306 I CB -0.343 37.666 38.000 0.015 0.000 1.046 306 I HN 0.788 nan 8.210 nan 0.000 0.413 307 G N 1.066 109.867 108.800 0.001 0.000 2.182 307 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.248 307 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.248 307 G C -0.197 174.725 174.900 0.036 0.000 1.042 307 G CA 0.150 45.258 45.100 0.013 0.000 0.775 307 G HN 0.252 nan 8.290 nan 0.000 0.501 308 V N -0.632 119.310 119.914 0.046 0.000 2.777 308 V HA 0.398 4.518 4.120 -0.001 0.000 0.306 308 V C 0.397 176.530 176.094 0.066 0.000 1.112 308 V CA -0.969 61.366 62.300 0.058 0.000 0.917 308 V CB 1.968 33.834 31.823 0.071 0.000 1.018 308 V HN 0.486 nan 8.190 nan 0.000 0.426 309 Q N 2.352 122.191 119.800 0.064 0.000 2.262 309 Q HA 0.023 4.363 4.340 -0.001 0.000 0.298 309 Q C 1.139 177.203 176.000 0.107 0.000 1.083 309 Q CA 0.416 56.265 55.803 0.078 0.000 0.962 309 Q CB 0.613 29.387 28.738 0.061 0.000 1.104 309 Q HN 0.725 nan 8.270 nan 0.000 0.376 310 Q N 2.076 121.970 119.800 0.157 0.000 2.325 310 Q HA -0.240 4.099 4.340 -0.001 0.000 0.211 310 Q C 0.237 176.395 176.000 0.264 0.000 0.988 310 Q CA 1.817 57.765 55.803 0.241 0.000 0.887 310 Q CB 0.115 29.044 28.738 0.320 0.000 0.915 310 Q HN 0.719 nan 8.270 nan 0.000 0.440 311 D N -1.832 118.641 120.400 0.121 0.000 2.440 311 D HA 0.047 4.687 4.640 -0.001 0.000 0.216 311 D C 0.323 176.609 176.300 -0.023 0.000 1.150 311 D CA -0.035 53.931 54.000 -0.056 0.000 0.832 311 D CB 0.292 40.910 40.800 -0.305 0.000 0.992 311 D HN -0.053 nan 8.370 nan 0.000 0.502 312 K N 0.271 120.688 120.400 0.028 0.000 2.706 312 K HA 0.276 4.595 4.320 -0.001 0.000 0.203 312 K C -0.017 176.609 176.600 0.042 0.000 1.102 312 K CA -0.441 55.861 56.287 0.024 0.000 1.058 312 K CB 1.321 33.835 32.500 0.024 0.000 0.779 312 K HN 0.002 nan 8.250 nan 0.000 0.483 313 R N 0.847 121.380 120.500 0.055 0.000 2.596 313 R HA 0.400 4.739 4.340 -0.001 0.000 0.267 313 R C 0.008 176.340 176.300 0.054 0.000 1.026 313 R CA -0.577 55.562 56.100 0.065 0.000 1.087 313 R CB 1.200 31.551 30.300 0.085 0.000 1.132 313 R HN -0.023 nan 8.270 nan 0.000 0.531 314 R N -0.231 120.302 120.500 0.055 0.000 2.720 314 R HA 0.697 5.036 4.340 -0.001 0.000 0.272 314 R C -0.143 176.186 176.300 0.048 0.000 0.991 314 R CA -0.440 55.686 56.100 0.043 0.000 1.010 314 R CB 1.930 32.252 30.300 0.037 0.000 1.141 314 R HN 0.849 nan 8.270 nan 0.000 0.494 315 G N -0.191 108.632 108.800 0.039 0.000 2.362 315 G HA2 0.143 4.102 3.960 -0.001 0.000 0.288 315 G HA3 0.143 4.102 3.960 -0.001 0.000 0.288 315 G C -1.824 173.094 174.900 0.031 0.000 1.305 315 G CA -0.933 44.191 45.100 0.040 0.000 0.910 315 G HN 0.392 nan 8.290 nan 0.000 0.518 316 V N -0.033 119.899 119.914 0.030 0.000 2.604 316 V HA 0.861 4.980 4.120 -0.001 0.000 0.305 316 V C 0.196 176.300 176.094 0.017 0.000 1.043 316 V CA -0.386 61.926 62.300 0.020 0.000 0.888 316 V CB 1.690 33.522 31.823 0.015 0.000 0.995 316 V HN 1.012 nan 8.190 nan 0.000 0.429 317 T N 2.286 116.845 114.554 0.008 0.000 2.906 317 T HA 0.338 4.687 4.350 -0.001 0.000 0.295 317 T C 0.032 174.722 174.700 -0.018 0.000 1.075 317 T CA -0.311 61.788 62.100 -0.001 0.000 1.005 317 T CB 2.118 70.987 68.868 0.002 0.000 1.136 317 T HN 0.772 nan 8.240 nan 0.000 0.498 318 Q N 1.390 121.172 119.800 -0.030 0.000 2.188 318 Q HA 0.339 4.679 4.340 -0.001 0.000 0.212 318 Q C -0.500 175.465 176.000 -0.058 0.000 0.846 318 Q CA -0.017 55.764 55.803 -0.037 0.000 0.989 318 Q CB 0.145 28.862 28.738 -0.035 0.000 1.114 318 Q HN 0.560 nan 8.270 nan 0.000 0.488 319 M N 0.204 119.757 119.600 -0.078 0.000 2.268 319 M HA 0.305 4.784 4.480 -0.001 0.000 0.340 319 M C 0.962 177.204 176.300 -0.095 0.000 1.099 319 M CA -0.372 54.851 55.300 -0.128 0.000 1.053 319 M CB 1.163 33.622 32.600 -0.235 0.000 1.284 319 M HN 0.177 nan 8.290 nan 0.000 0.410 320 G N 2.056 110.816 108.800 -0.066 0.000 2.527 320 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.219 320 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.219 320 G C 1.133 176.009 174.900 -0.041 0.000 1.117 320 G CA 0.649 45.723 45.100 -0.043 0.000 0.759 320 G HN 0.576 nan 8.290 nan 0.000 0.556 321 N N 0.644 119.308 118.700 -0.060 0.000 2.143 321 N HA -0.050 4.689 4.740 -0.001 0.000 0.190 321 N C 1.538 177.035 175.510 -0.022 0.000 1.058 321 N CA 1.434 54.464 53.050 -0.034 0.000 0.860 321 N CB -0.960 37.504 38.487 -0.038 0.000 1.044 321 N HN 0.362 nan 8.380 nan 0.000 0.445 322 T N 0.218 114.749 114.554 -0.037 0.000 2.701 322 T HA 0.110 4.459 4.350 -0.001 0.000 0.303 322 T C 0.223 174.911 174.700 -0.021 0.000 1.030 322 T CA -0.086 62.024 62.100 0.016 0.000 1.010 322 T CB 0.718 69.679 68.868 0.155 0.000 1.007 322 T HN 0.080 nan 8.240 nan 0.000 0.532 323 D N -1.114 119.241 120.400 -0.076 0.000 2.479 323 D HA 0.139 4.778 4.640 -0.001 0.000 0.218 323 D C -0.747 175.527 176.300 -0.043 0.000 1.177 323 D CA -0.105 53.848 54.000 -0.079 0.000 0.830 323 D CB 0.020 40.744 40.800 -0.126 0.000 1.014 323 D HN 0.472 nan 8.370 nan 0.000 0.503 324 Y N 1.129 121.481 120.300 0.087 0.000 2.486 324 Y HA 0.278 4.827 4.550 -0.001 0.000 0.348 324 Y C 0.783 176.736 175.900 0.089 0.000 1.000 324 Y CA -0.264 57.905 58.100 0.116 0.000 1.253 324 Y CB 0.362 38.954 38.460 0.220 0.000 1.140 324 Y HN -0.154 nan 8.280 nan 0.000 0.526 325 I N 4.865 125.588 120.570 0.255 0.000 2.388 325 I HA 0.251 4.421 4.170 -0.001 0.000 0.281 325 I C -0.233 175.978 176.117 0.156 0.000 1.046 325 I CA -0.126 61.271 61.300 0.162 0.000 1.187 325 I CB 0.618 38.684 38.000 0.111 0.000 1.351 325 I HN 0.505 nan 8.210 nan 0.000 0.472 326 T N 3.346 117.987 114.554 0.144 0.000 2.942 326 T HA 0.225 4.574 4.350 -0.001 0.000 0.289 326 T C 1.054 175.811 174.700 0.096 0.000 1.044 326 T CA -0.667 61.501 62.100 0.113 0.000 1.023 326 T CB 2.243 71.174 68.868 0.105 0.000 1.123 326 T HN 0.381 nan 8.240 nan 0.000 0.512 327 E N 0.869 121.118 120.200 0.083 0.000 2.267 327 E HA -0.109 4.240 4.350 -0.001 0.000 0.197 327 E C 1.775 178.425 176.600 0.082 0.000 0.998 327 E CA 0.828 57.274 56.400 0.077 0.000 0.830 327 E CB -0.192 29.550 29.700 0.070 0.000 0.751 327 E HN 0.672 nan 8.360 nan 0.000 0.491 328 A N -0.156 122.725 122.820 0.101 0.000 2.267 328 A HA 0.084 4.403 4.320 -0.001 0.000 0.213 328 A C 1.915 179.560 177.584 0.101 0.000 1.192 328 A CA 0.553 52.656 52.037 0.110 0.000 0.851 328 A CB 0.287 19.390 19.000 0.172 0.000 0.881 328 A HN 0.119 nan 8.150 nan 0.000 0.494 329 T N -0.576 114.040 114.554 0.104 0.000 3.038 329 T HA 0.223 4.573 4.350 -0.001 0.000 0.244 329 T C 0.741 175.473 174.700 0.053 0.000 1.016 329 T CA -0.255 61.897 62.100 0.088 0.000 1.098 329 T CB -0.080 68.867 68.868 0.132 0.000 0.954 329 T HN 0.193 nan 8.240 nan 0.000 0.469 330 I N 2.898 123.505 120.570 0.062 0.000 2.993 330 I HA -0.007 4.162 4.170 -0.001 0.000 0.301 330 I C 0.502 176.635 176.117 0.025 0.000 1.229 330 I CA 0.158 61.486 61.300 0.047 0.000 1.435 330 I CB 0.185 38.219 38.000 0.056 0.000 1.328 330 I HN 0.367 nan 8.210 nan 0.000 0.584 331 M N 7.418 127.027 119.600 0.015 0.000 2.200 331 M HA 0.209 4.688 4.480 -0.001 0.000 0.355 331 M C -0.459 175.834 176.300 -0.012 0.000 1.283 331 M CA -0.074 55.225 55.300 -0.003 0.000 1.124 331 M CB 0.261 32.858 32.600 -0.006 0.000 1.625 331 M HN 0.408 nan 8.290 nan 0.000 0.463 332 R N 4.187 124.665 120.500 -0.036 0.000 2.787 332 R HA 0.462 4.802 4.340 -0.001 0.000 0.271 332 R C -1.997 174.241 176.300 -0.104 0.000 0.993 332 R CA -1.758 54.297 56.100 -0.076 0.000 0.993 332 R CB -0.087 30.161 30.300 -0.087 0.000 1.155 332 R HN 0.536 nan 8.270 nan 0.000 0.486 333 P HA -0.148 nan 4.420 nan 0.000 0.214 333 P C -0.090 177.133 177.300 -0.129 0.000 1.169 333 P CA 1.760 64.761 63.100 -0.164 0.000 0.908 333 P CB 0.341 31.855 31.700 -0.310 0.000 0.791 334 A N -2.060 120.670 122.820 -0.150 0.000 3.065 334 A HA 0.540 4.860 4.320 -0.001 0.000 0.293 334 A C -1.329 176.196 177.584 -0.098 0.000 1.213 334 A CA -0.488 51.484 52.037 -0.108 0.000 0.667 334 A CB 0.518 19.457 19.000 -0.102 0.000 1.412 334 A HN -0.033 nan 8.150 nan 0.000 0.601 335 E N 0.154 120.310 120.200 -0.074 0.000 2.191 335 E HA 0.535 4.885 4.350 -0.001 0.000 0.263 335 E C -1.689 174.897 176.600 -0.023 0.000 0.881 335 E CA -0.536 55.837 56.400 -0.044 0.000 0.757 335 E CB 1.765 31.453 29.700 -0.021 0.000 1.147 335 E HN 0.349 nan 8.360 nan 0.000 0.414 336 V N 4.657 124.557 119.914 -0.023 0.000 2.387 336 V HA 0.488 4.608 4.120 -0.001 0.000 0.260 336 V C 0.670 176.791 176.094 0.044 0.000 1.054 336 V CA 0.754 63.050 62.300 -0.006 0.000 0.967 336 V CB -0.102 31.701 31.823 -0.032 0.000 1.036 336 V HN 0.932 nan 8.190 nan 0.000 0.481 337 G N 4.778 113.635 108.800 0.095 0.000 2.661 337 G HA2 -0.064 3.896 3.960 -0.001 0.000 0.685 337 G HA3 -0.064 3.896 3.960 -0.001 0.000 0.685 337 G C -1.113 173.953 174.900 0.275 0.000 1.298 337 G CA -0.152 45.053 45.100 0.176 0.000 0.855 337 G HN 1.585 nan 8.290 nan 0.000 0.560 338 Y N -2.320 118.012 120.300 0.053 0.000 2.655 338 Y HA 0.842 5.392 4.550 -0.001 0.000 0.336 338 Y C -0.115 175.797 175.900 0.021 0.000 1.154 338 Y CA -0.751 57.380 58.100 0.052 0.000 1.055 338 Y CB 1.019 39.572 38.460 0.154 0.000 1.295 338 Y HN 0.882 nan 8.280 nan 0.000 0.465 339 S N 1.040 116.648 115.700 -0.153 0.000 2.472 339 S HA 0.895 5.364 4.470 -0.001 0.000 0.303 339 S C -0.843 173.616 174.600 -0.235 0.000 1.099 339 S CA -0.383 57.668 58.200 -0.248 0.000 1.077 339 S CB 1.338 64.487 63.200 -0.085 0.000 1.031 339 S HN 0.951 nan 8.310 nan 0.000 0.487 340 A N 3.618 126.306 122.820 -0.221 0.000 2.498 340 A HA 0.874 5.194 4.320 -0.001 0.000 0.298 340 A C -2.994 174.646 177.584 0.094 0.000 1.075 340 A CA -2.120 49.886 52.037 -0.051 0.000 0.714 340 A CB 0.837 19.784 19.000 -0.089 0.000 1.299 340 A HN 0.534 nan 8.150 nan 0.000 0.407 341 P HA 0.147 nan 4.420 nan 0.000 0.261 341 P C -1.328 176.120 177.300 0.247 0.000 1.183 341 P CA 0.744 63.954 63.100 0.182 0.000 0.761 341 P CB -0.248 31.522 31.700 0.116 0.000 0.785 342 Y N 1.875 122.198 120.300 0.039 0.000 2.328 342 Y HA 0.474 5.023 4.550 -0.001 0.000 0.337 342 Y C -0.027 175.996 175.900 0.206 0.000 1.008 342 Y CA -2.119 56.027 58.100 0.077 0.000 1.129 342 Y CB 0.221 38.662 38.460 -0.031 0.000 1.185 342 Y HN 0.281 nan 8.280 nan 0.000 0.476 343 Y N 0.524 120.906 120.300 0.137 0.000 3.233 343 Y HA -0.191 4.358 4.550 -0.001 0.000 0.201 343 Y C 0.270 176.297 175.900 0.212 0.000 1.486 343 Y CA 0.387 58.587 58.100 0.165 0.000 1.326 343 Y CB -1.720 36.872 38.460 0.220 0.000 1.460 343 Y HN 0.831 nan 8.280 nan 0.000 0.512 344 S N 0.676 116.474 115.700 0.163 0.000 2.462 344 S HA 0.824 5.294 4.470 -0.001 0.000 0.294 344 S C -0.660 173.886 174.600 -0.089 0.000 1.144 344 S CA -0.344 57.926 58.200 0.117 0.000 1.088 344 S CB 0.461 63.695 63.200 0.055 0.000 1.009 344 S HN 0.170 nan 8.310 nan 0.000 0.484 345 F N 2.728 122.628 119.950 -0.084 0.000 2.493 345 F HA 0.492 5.018 4.527 -0.001 0.000 0.329 345 F C 0.548 176.176 175.800 -0.286 0.000 1.126 345 F CA -0.778 57.114 58.000 -0.181 0.000 0.937 345 F CB 1.827 40.746 39.000 -0.135 0.000 1.146 345 F HN 0.567 nan 8.300 nan 0.000 0.442 346 E N 1.262 121.173 120.200 -0.482 0.000 2.232 346 E HA 0.860 5.209 4.350 -0.001 0.000 0.264 346 E C -1.056 175.110 176.600 -0.723 0.000 0.973 346 E CA -1.235 54.830 56.400 -0.558 0.000 0.849 346 E CB 2.128 31.479 29.700 -0.581 0.000 1.198 346 E HN 0.617 nan 8.360 nan 0.000 0.407 347 A N 1.078 123.689 122.820 -0.349 0.000 2.393 347 A HA 0.634 4.953 4.320 -0.001 0.000 0.306 347 A C -0.849 176.737 177.584 0.003 0.000 1.050 347 A CA -0.449 51.493 52.037 -0.158 0.000 0.724 347 A CB 1.909 20.871 19.000 -0.063 0.000 1.248 347 A HN 0.372 nan 8.150 nan 0.000 0.424 348 S N -0.463 115.312 115.700 0.124 0.000 2.806 348 S HA 0.568 5.038 4.470 -0.001 0.000 0.306 348 S C 1.431 176.038 174.600 0.012 0.000 1.167 348 S CA 0.501 58.758 58.200 0.096 0.000 0.847 348 S CB 1.213 64.515 63.200 0.170 0.000 1.216 348 S HN 1.678 nan 8.310 nan 0.000 0.532 349 T N 0.536 115.049 114.554 -0.068 0.000 3.003 349 T HA -0.127 4.222 4.350 -0.001 0.000 0.270 349 T C 0.831 175.394 174.700 -0.228 0.000 1.153 349 T CA 1.589 63.602 62.100 -0.146 0.000 1.089 349 T CB -0.366 68.391 68.868 -0.185 0.000 0.838 349 T HN 0.583 nan 8.240 nan 0.000 0.562 350 Q N 0.122 119.785 119.800 -0.230 0.000 2.246 350 Q HA 0.493 4.833 4.340 -0.001 0.000 0.222 350 Q C 1.195 177.287 176.000 0.153 0.000 0.851 350 Q CA 0.385 55.966 55.803 -0.371 0.000 0.945 350 Q CB 1.300 29.542 28.738 -0.826 0.000 1.122 350 Q HN 0.691 nan 8.270 nan 0.000 0.508 351 G N 1.669 110.562 108.800 0.156 0.000 2.346 351 G HA2 0.027 3.987 3.960 -0.001 0.000 0.294 351 G HA3 0.027 3.987 3.960 -0.001 0.000 0.294 351 G C -3.265 171.759 174.900 0.207 0.000 1.294 351 G CA -1.117 44.117 45.100 0.223 0.000 0.962 351 G HN -0.089 nan 8.290 nan 0.000 0.508 352 P HA 0.746 nan 4.420 nan 0.000 0.279 352 P C -0.852 176.592 177.300 0.240 0.000 1.252 352 P CA -0.370 62.789 63.100 0.098 0.000 0.811 352 P CB 0.574 32.338 31.700 0.107 0.000 1.035 353 F N -1.998 118.051 119.950 0.164 0.000 2.672 353 F HA 0.507 5.033 4.527 -0.001 0.000 0.311 353 F C -0.849 174.887 175.800 -0.108 0.000 1.113 353 F CA -1.481 56.560 58.000 0.069 0.000 0.996 353 F CB 0.872 39.878 39.000 0.009 0.000 1.286 353 F HN -0.051 nan 8.300 nan 0.000 0.441 354 K N 2.031 122.340 120.400 -0.152 0.000 2.448 354 K HA 0.150 4.470 4.320 -0.001 0.000 0.278 354 K C -0.410 176.099 176.600 -0.152 0.000 1.009 354 K CA 0.280 56.185 56.287 -0.637 0.000 0.995 354 K CB 0.957 33.087 32.500 -0.617 0.000 0.917 354 K HN 0.910 nan 8.250 nan 0.000 0.481 355 T N 7.678 122.103 114.554 -0.214 0.000 2.751 355 T HA 0.129 4.479 4.350 -0.001 0.000 0.290 355 T C -2.104 172.600 174.700 0.007 0.000 0.919 355 T CA -0.936 61.163 62.100 -0.001 0.000 1.136 355 T CB 0.555 69.413 68.868 -0.016 0.000 0.875 355 T HN 0.435 nan 8.240 nan 0.000 0.532 356 P HA 0.253 nan 4.420 nan 0.000 0.269 356 P C -0.759 176.570 177.300 0.047 0.000 1.215 356 P CA -0.398 62.722 63.100 0.034 0.000 0.780 356 P CB 0.754 32.475 31.700 0.034 0.000 0.898 357 I N 0.822 121.421 120.570 0.048 0.000 2.689 357 I HA 0.390 4.560 4.170 -0.001 0.000 0.299 357 I C 0.105 176.274 176.117 0.086 0.000 1.059 357 I CA -1.456 59.882 61.300 0.064 0.000 1.055 357 I CB 1.755 39.772 38.000 0.029 0.000 1.243 357 I HN 0.362 nan 8.210 nan 0.000 0.425 358 A N 4.182 127.087 122.820 0.142 0.000 2.801 358 A HA 0.863 5.182 4.320 -0.001 0.000 0.344 358 A C -0.003 177.672 177.584 0.151 0.000 1.322 358 A CA -0.064 52.072 52.037 0.165 0.000 0.913 358 A CB 0.107 19.233 19.000 0.210 0.000 1.140 358 A HN 0.929 nan 8.150 nan 0.000 0.487 359 A N 0.848 123.744 122.820 0.127 0.000 2.765 359 A HA 1.021 5.341 4.320 -0.001 0.000 0.305 359 A C 0.055 177.854 177.584 0.357 0.000 1.229 359 A CA -0.217 51.917 52.037 0.162 0.000 0.653 359 A CB 0.572 19.580 19.000 0.014 0.000 1.375 359 A HN 2.028 nan 8.150 nan 0.000 0.540 376 P HA 0.254 nan 4.420 nan 0.000 0.268 376 P C -0.493 176.700 177.300 -0.177 0.000 1.205 376 P CA -0.230 62.818 63.100 -0.087 0.000 0.771 376 P CB 1.123 32.803 31.700 -0.034 0.000 0.858 377 R N 2.227 122.512 120.500 -0.358 0.000 2.439 377 R HA 0.413 4.753 4.340 -0.001 0.000 0.310 377 R C -1.493 174.475 176.300 -0.553 0.000 0.955 377 R CA -0.541 55.358 56.100 -0.336 0.000 0.853 377 R CB 0.409 30.605 30.300 -0.173 0.000 1.171 377 R HN 0.377 nan 8.270 nan 0.000 0.449 378 Y N 2.706 122.704 120.300 -0.504 0.000 2.356 378 Y HA 0.608 5.157 4.550 -0.001 0.000 0.334 378 Y C 0.054 175.957 175.900 0.006 0.000 0.958 378 Y CA -0.623 57.275 58.100 -0.337 0.000 1.196 378 Y CB 2.135 40.174 38.460 -0.701 0.000 1.137 378 Y HN 0.730 nan 8.280 nan 0.000 0.485 379 A N 5.396 128.312 122.820 0.159 0.000 2.304 379 A HA 0.881 5.201 4.320 -0.001 0.000 0.323 379 A C -1.000 176.692 177.584 0.180 0.000 1.195 379 A CA -0.357 51.689 52.037 0.015 0.000 0.826 379 A CB 0.172 19.141 19.000 -0.051 0.000 1.184 379 A HN 0.707 nan 8.150 nan 0.000 0.496 380 F N -0.078 119.910 119.950 0.062 0.000 3.090 380 F HA 0.909 5.435 4.527 -0.001 0.000 0.324 380 F C 0.032 175.874 175.800 0.070 0.000 1.189 380 F CA -0.734 57.309 58.000 0.071 0.000 0.907 380 F CB 0.775 39.828 39.000 0.088 0.000 1.445 380 F HN 1.162 nan 8.300 nan 0.000 0.500 381 G N -0.104 108.892 108.800 0.327 0.000 2.473 381 G HA2 0.528 4.487 3.960 -0.001 0.000 0.298 381 G HA3 0.528 4.487 3.960 -0.001 0.000 0.298 381 G C -0.678 174.260 174.900 0.063 0.000 1.575 381 G CA 0.012 45.194 45.100 0.138 0.000 0.846 381 G HN 0.960 nan 8.290 nan 0.000 0.585 382 R N -0.642 119.892 120.500 0.057 0.000 1.215 382 R HA -0.313 4.026 4.340 -0.001 0.000 0.022 382 R C 2.070 178.357 176.300 -0.021 0.000 0.960 382 R CA 3.194 59.297 56.100 0.004 0.000 1.900 382 R CB -1.488 28.782 30.300 -0.049 0.000 0.218 382 R HN 0.720 nan 8.270 nan 0.000 0.703 383 Q N -0.731 118.938 119.800 -0.218 0.000 2.378 383 Q HA -0.056 4.283 4.340 -0.001 0.000 0.205 383 Q C 0.194 175.750 176.000 -0.740 0.000 0.954 383 Q CA 1.410 56.953 55.803 -0.435 0.000 0.901 383 Q CB 0.245 28.589 28.738 -0.657 0.000 0.981 383 Q HN 0.651 nan 8.270 nan 0.000 0.483 384 H N -1.601 117.279 119.070 -0.316 0.000 2.549 384 H HA 0.405 4.960 4.556 -0.001 0.000 0.253 384 H C 0.417 175.533 175.328 -0.354 0.000 1.170 384 H CA 0.483 56.013 56.048 -0.863 0.000 0.943 384 H CB 1.058 30.242 29.762 -0.962 0.000 1.849 384 H HN 0.356 nan 8.280 nan 0.000 0.603 385 G N 1.143 109.999 108.800 0.093 0.000 2.013 385 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.076 385 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.076 385 G C -0.596 174.523 174.900 0.364 0.000 1.053 385 G CA -0.407 44.862 45.100 0.281 0.000 1.230 385 G HN 0.351 nan 8.290 nan 0.000 0.431 386 Q N 1.055 121.132 119.800 0.462 0.000 3.160 386 Q HA -0.221 4.119 4.340 -0.001 0.000 0.099 386 Q C 0.369 176.462 176.000 0.155 0.000 1.671 386 Q CA 1.438 57.381 55.803 0.234 0.000 0.304 386 Q CB -0.203 28.599 28.738 0.108 0.000 0.675 386 Q HN 0.812 nan 8.270 nan 0.000 0.353 387 K N 3.893 124.365 120.400 0.120 0.000 2.434 387 K HA -0.196 4.124 4.320 -0.001 0.000 0.266 387 K C 0.522 177.149 176.600 0.045 0.000 1.096 387 K CA 1.100 57.436 56.287 0.082 0.000 1.182 387 K CB 0.295 32.828 32.500 0.055 0.000 0.813 387 K HN 0.739 nan 8.250 nan 0.000 0.490 388 T N 2.483 117.051 114.554 0.023 0.000 2.737 388 T HA -0.182 4.167 4.350 -0.001 0.000 0.269 388 T C 1.535 176.218 174.700 -0.028 0.000 1.040 388 T CA 2.239 64.322 62.100 -0.029 0.000 1.142 388 T CB -0.226 68.581 68.868 -0.102 0.000 0.861 388 T HN 0.871 nan 8.240 nan 0.000 0.456 389 T N -0.619 113.927 114.554 -0.015 0.000 3.113 389 T HA 0.089 4.439 4.350 -0.001 0.000 0.256 389 T C 0.982 175.675 174.700 -0.012 0.000 1.131 389 T CA 0.029 62.120 62.100 -0.016 0.000 1.074 389 T CB -0.475 68.387 68.868 -0.010 0.000 0.944 389 T HN 0.127 nan 8.240 nan 0.000 0.516 390 T N 3.656 118.207 114.554 -0.006 0.000 2.933 390 T HA 0.217 4.567 4.350 -0.001 0.000 0.306 390 T C 0.543 175.234 174.700 -0.016 0.000 1.045 390 T CA 0.332 62.427 62.100 -0.007 0.000 1.143 390 T CB 0.512 69.379 68.868 -0.002 0.000 1.003 390 T HN 0.472 nan 8.240 nan 0.000 0.540 391 T N 1.992 116.536 114.554 -0.016 0.000 2.852 391 T HA 0.672 5.022 4.350 -0.001 0.000 0.281 391 T C 0.882 175.568 174.700 -0.022 0.000 0.993 391 T CA -0.182 61.906 62.100 -0.020 0.000 0.933 391 T CB 0.538 69.395 68.868 -0.017 0.000 1.187 391 T HN 1.086 nan 8.240 nan 0.000 0.559 392 G N 0.515 109.301 108.800 -0.023 0.000 2.752 392 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.234 392 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.234 392 G C -0.574 174.310 174.900 -0.027 0.000 1.367 392 G CA -0.158 44.928 45.100 -0.024 0.000 0.879 392 G HN 0.784 nan 8.290 nan 0.000 0.563 393 E N -0.149 120.035 120.200 -0.028 0.000 4.044 393 E HA 0.361 4.711 4.350 -0.001 0.000 0.216 393 E C -0.596 175.984 176.600 -0.034 0.000 1.104 393 E CA -0.156 56.225 56.400 -0.030 0.000 1.383 393 E CB 0.925 30.608 29.700 -0.028 0.000 1.195 393 E HN 0.442 nan 8.360 nan 0.000 0.442 394 T N 3.027 117.558 114.554 -0.039 0.000 2.770 394 T HA 0.319 4.669 4.350 -0.001 0.000 0.283 394 T C -2.045 172.613 174.700 -0.070 0.000 0.988 394 T CA -1.451 60.621 62.100 -0.047 0.000 0.957 394 T CB 1.446 70.289 68.868 -0.040 0.000 0.930 394 T HN 0.097 nan 8.240 nan 0.000 0.443 395 P HA 0.239 nan 4.420 nan 0.000 0.271 395 P C -0.399 176.762 177.300 -0.233 0.000 1.233 395 P CA -0.304 62.704 63.100 -0.153 0.000 0.789 395 P CB 0.841 32.459 31.700 -0.137 0.000 0.951 396 E N 0.755 120.687 120.200 -0.447 0.000 2.227 396 E HA 0.519 4.869 4.350 -0.001 0.000 0.268 396 E C -0.340 175.744 176.600 -0.859 0.000 0.990 396 E CA -0.624 55.449 56.400 -0.546 0.000 0.856 396 E CB 1.048 30.410 29.700 -0.564 0.000 1.159 396 E HN 0.527 nan 8.360 nan 0.000 0.401 397 R N 1.091 121.344 120.500 -0.412 0.000 2.741 397 R HA 0.612 4.951 4.340 -0.001 0.000 0.276 397 R C -1.269 175.195 176.300 0.272 0.000 1.028 397 R CA -0.908 55.119 56.100 -0.122 0.000 0.865 397 R CB 0.566 30.791 30.300 -0.126 0.000 1.268 397 R HN 0.529 nan 8.270 nan 0.000 0.475 398 F N -2.210 117.857 119.950 0.194 0.000 2.693 398 F HA 0.611 5.138 4.527 -0.001 0.000 0.309 398 F C -1.591 174.234 175.800 0.041 0.000 1.129 398 F CA -0.898 57.144 58.000 0.070 0.000 0.948 398 F CB 2.213 41.171 39.000 -0.070 0.000 1.315 398 F HN 0.377 nan 8.300 nan 0.000 0.447 399 T N 2.378 116.997 114.554 0.109 0.000 2.893 399 T HA 0.201 4.551 4.350 -0.001 0.000 0.324 399 T C -1.381 173.423 174.700 0.173 0.000 1.082 399 T CA -0.253 61.878 62.100 0.052 0.000 0.983 399 T CB -0.209 68.689 68.868 0.051 0.000 1.005 399 T HN 0.636 nan 8.240 nan 0.000 0.475 400 Y N 5.639 126.038 120.300 0.165 0.000 2.650 400 Y HA 0.316 4.865 4.550 -0.001 0.000 0.342 400 Y C -0.035 175.990 175.900 0.208 0.000 1.110 400 Y CA -0.496 57.759 58.100 0.258 0.000 1.438 400 Y CB -0.105 38.627 38.460 0.453 0.000 1.181 400 Y HN 0.515 nan 8.280 nan 0.000 0.526 401 I N 6.677 127.168 120.570 -0.131 0.000 2.331 401 I HA 0.323 4.493 4.170 -0.001 0.000 0.292 401 I C 0.669 176.668 176.117 -0.197 0.000 0.998 401 I CA -0.168 61.081 61.300 -0.084 0.000 1.267 401 I CB 1.617 39.575 38.000 -0.070 0.000 1.386 401 I HN 0.784 nan 8.210 nan 0.000 0.476 402 A N 4.770 127.601 122.820 0.018 0.000 2.324 402 A HA 0.263 4.583 4.320 -0.001 0.000 0.220 402 A C 0.414 178.107 177.584 0.182 0.000 1.209 402 A CA 0.605 52.741 52.037 0.165 0.000 0.918 402 A CB -0.241 19.079 19.000 0.534 0.000 0.959 402 A HN 0.991 nan 8.150 nan 0.000 0.507 403 H N -3.567 115.526 119.070 0.038 0.000 3.570 403 H HA 0.569 5.125 4.556 -0.001 0.000 0.299 403 H C -1.066 174.282 175.328 0.033 0.000 1.549 403 H CA -0.039 56.024 56.048 0.026 0.000 1.208 403 H CB 0.255 30.062 29.762 0.076 0.000 1.789 403 H HN 0.145 nan 8.280 nan 0.000 0.838 404 Q N 0.698 120.822 119.800 0.539 0.000 3.607 404 Q HA 0.222 4.561 4.340 -0.001 0.000 0.167 404 Q C -1.920 174.315 176.000 0.391 0.000 0.821 404 Q CA 0.377 56.443 55.803 0.438 0.000 1.114 404 Q CB -0.235 28.637 28.738 0.222 0.000 1.553 404 Q HN 0.922 nan 8.270 nan 0.000 0.561 405 D N 0.493 121.037 120.400 0.241 0.000 2.123 405 D HA 0.131 4.771 4.640 -0.001 0.000 0.323 405 D C 0.713 176.968 176.300 -0.076 0.000 1.075 405 D CA 1.127 55.132 54.000 0.009 0.000 0.892 405 D CB 0.265 41.014 40.800 -0.084 0.000 1.716 405 D HN 0.462 nan 8.370 nan 0.000 0.531 406 T N -2.777 111.671 114.554 -0.175 0.000 3.412 406 T HA 0.410 4.760 4.350 -0.001 0.000 0.305 406 T C 0.892 175.659 174.700 0.112 0.000 0.892 406 T CA -0.026 62.051 62.100 -0.038 0.000 0.936 406 T CB 0.288 69.111 68.868 -0.074 0.000 1.202 406 T HN 0.248 nan 8.240 nan 0.000 0.621 407 G N 1.541 110.554 108.800 0.356 0.000 2.539 407 G HA2 0.591 4.551 3.960 -0.001 0.000 0.258 407 G HA3 0.591 4.551 3.960 -0.001 0.000 0.258 407 G C -0.566 174.424 174.900 0.151 0.000 1.202 407 G CA -0.562 44.749 45.100 0.353 0.000 0.851 407 G HN 0.236 nan 8.290 nan 0.000 0.556 408 R N -0.499 120.046 120.500 0.075 0.000 2.750 408 R HA 0.248 4.587 4.340 -0.001 0.000 0.281 408 R C -1.687 174.666 176.300 0.088 0.000 0.972 408 R CA -1.027 55.110 56.100 0.061 0.000 0.912 408 R CB 1.708 32.004 30.300 -0.006 0.000 1.187 408 R HN 0.676 nan 8.270 nan 0.000 0.464 409 Y N 3.703 123.988 120.300 -0.024 0.000 2.717 409 Y HA 0.257 4.806 4.550 -0.001 0.000 0.329 409 Y C -1.543 174.346 175.900 -0.018 0.000 1.017 409 Y CA -2.143 55.940 58.100 -0.027 0.000 1.275 409 Y CB 1.374 39.841 38.460 0.012 0.000 1.109 409 Y HN 0.413 nan 8.280 nan 0.000 0.511 410 P HA -0.240 nan 4.420 nan 0.000 0.216 410 P C 0.824 177.968 177.300 -0.261 0.000 1.154 410 P CA 1.735 64.695 63.100 -0.232 0.000 0.865 410 P CB 0.406 31.959 31.700 -0.245 0.000 0.789 411 E N -0.980 118.873 120.200 -0.578 0.000 2.267 411 E HA -0.098 4.251 4.350 -0.001 0.000 0.197 411 E C 2.085 178.586 176.600 -0.164 0.000 0.998 411 E CA 1.453 57.568 56.400 -0.475 0.000 0.830 411 E CB -1.198 27.990 29.700 -0.852 0.000 0.751 411 E HN 0.319 nan 8.360 nan 0.000 0.491 412 G N 0.058 108.826 108.800 -0.052 0.000 2.939 412 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.210 412 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.210 412 G C 0.026 175.119 174.900 0.322 0.000 1.160 412 G CA -0.292 44.963 45.100 0.258 0.000 0.770 412 G HN 0.077 nan 8.290 nan 0.000 0.543 413 D N 0.155 120.668 120.400 0.188 0.000 2.344 413 D HA 0.463 5.102 4.640 -0.001 0.000 0.244 413 D C -0.119 176.418 176.300 0.394 0.000 1.134 413 D CA 0.108 54.215 54.000 0.178 0.000 0.930 413 D CB 1.244 42.089 40.800 0.074 0.000 1.175 413 D HN 0.476 nan 8.370 nan 0.000 0.437 414 W N -0.408 120.995 121.300 0.173 0.000 3.057 414 W HA 0.573 5.233 4.660 -0.001 0.000 0.328 414 W C -2.410 174.102 176.519 -0.012 0.000 1.232 414 W CA -0.835 56.561 57.345 0.085 0.000 1.187 414 W CB 0.370 29.852 29.460 0.037 0.000 1.417 414 W HN 0.167 nan 8.180 nan 0.000 0.569 415 I N 2.755 123.381 120.570 0.093 0.000 2.582 415 I HA 0.360 4.530 4.170 -0.001 0.000 0.292 415 I C -0.427 175.783 176.117 0.155 0.000 1.066 415 I CA -1.210 60.064 61.300 -0.043 0.000 1.053 415 I CB 2.236 40.035 38.000 -0.335 0.000 1.241 415 I HN 0.631 nan 8.210 nan 0.000 0.421 416 Q N 3.783 123.696 119.800 0.189 0.000 2.458 416 Q HA 0.421 4.760 4.340 -0.001 0.000 0.282 416 Q C -0.800 175.289 176.000 0.148 0.000 1.106 416 Q CA -1.056 54.864 55.803 0.196 0.000 0.814 416 Q CB 2.031 30.945 28.738 0.293 0.000 1.425 416 Q HN 0.480 nan 8.270 nan 0.000 0.437 417 N N 0.677 119.452 118.700 0.126 0.000 2.492 417 N HA -0.009 4.730 4.740 -0.001 0.000 0.260 417 N C 0.687 176.293 175.510 0.160 0.000 1.215 417 N CA 0.023 53.138 53.050 0.107 0.000 0.923 417 N CB 0.795 39.328 38.487 0.077 0.000 1.092 417 N HN 0.554 nan 8.380 nan 0.000 0.448 418 I N 2.836 123.475 120.570 0.115 0.000 2.300 418 I HA -0.313 3.856 4.170 -0.001 0.000 0.252 418 I C 1.868 178.067 176.117 0.137 0.000 1.119 418 I CA 1.011 62.373 61.300 0.104 0.000 1.384 418 I CB -0.747 37.287 38.000 0.057 0.000 1.062 418 I HN 0.551 nan 8.210 nan 0.000 0.426 419 N N -0.106 118.678 118.700 0.141 0.000 2.443 419 N HA -0.179 4.560 4.740 -0.001 0.000 0.184 419 N C 1.063 176.742 175.510 0.280 0.000 1.037 419 N CA 0.800 53.942 53.050 0.154 0.000 0.896 419 N CB -0.159 38.392 38.487 0.108 0.000 0.959 419 N HN 0.269 nan 8.380 nan 0.000 0.442 420 F N 0.276 120.267 119.950 0.068 0.000 2.306 420 F HA -0.424 4.102 4.527 -0.001 0.000 0.519 420 F C -0.115 175.732 175.800 0.079 0.000 0.600 420 F CA 1.563 59.618 58.000 0.091 0.000 0.893 420 F CB -1.160 37.911 39.000 0.119 0.000 3.425 420 F HN 0.194 nan 8.300 nan 0.000 0.200 421 N N 0.889 119.664 118.700 0.126 0.000 2.469 421 N HA -0.158 4.581 4.740 -0.001 0.000 0.283 421 N C -0.994 174.454 175.510 -0.103 0.000 1.326 421 N CA 1.078 54.144 53.050 0.027 0.000 0.646 421 N CB -1.610 36.903 38.487 0.043 0.000 0.894 421 N HN 0.748 nan 8.380 nan 0.000 0.533 422 L N -0.788 120.345 121.223 -0.150 0.000 2.313 422 L HA 0.859 5.198 4.340 -0.001 0.000 0.268 422 L C -1.535 175.272 176.870 -0.106 0.000 1.010 422 L CA -1.989 52.728 54.840 -0.205 0.000 0.814 422 L CB 0.031 41.867 42.059 -0.370 0.000 1.304 422 L HN -0.041 nan 8.230 nan 0.000 0.441 423 P HA 0.097 nan 4.420 nan 0.000 0.264 423 P C -0.519 176.690 177.300 -0.151 0.000 1.183 423 P CA -0.265 62.743 63.100 -0.154 0.000 0.763 423 P CB 0.837 32.467 31.700 -0.117 0.000 0.807 424 V N 3.572 123.371 119.914 -0.193 0.000 2.614 424 V HA 0.074 4.194 4.120 -0.001 0.000 0.291 424 V C 0.282 176.308 176.094 -0.113 0.000 1.049 424 V CA 0.109 62.316 62.300 -0.156 0.000 1.038 424 V CB 0.736 32.451 31.823 -0.179 0.000 0.980 424 V HN 0.685 nan 8.190 nan 0.000 0.481 425 T N 5.923 120.432 114.554 -0.075 0.000 2.918 425 T HA 0.050 4.399 4.350 -0.001 0.000 0.302 425 T C 1.255 175.924 174.700 -0.052 0.000 1.045 425 T CA 0.504 62.571 62.100 -0.055 0.000 1.114 425 T CB 0.591 69.438 68.868 -0.035 0.000 0.965 425 T HN 0.908 nan 8.240 nan 0.000 0.540 426 N N 1.928 120.599 118.700 -0.048 0.000 2.137 426 N HA -0.165 4.574 4.740 -0.001 0.000 0.190 426 N C 1.313 176.804 175.510 -0.032 0.000 1.017 426 N CA 1.559 54.583 53.050 -0.043 0.000 0.859 426 N CB -0.048 38.417 38.487 -0.037 0.000 1.002 426 N HN 0.516 nan 8.380 nan 0.000 0.428 427 D N -0.753 119.632 120.400 -0.025 0.000 2.348 427 D HA -0.033 4.606 4.640 -0.001 0.000 0.216 427 D C 0.145 176.436 176.300 -0.014 0.000 0.970 427 D CA 0.738 54.727 54.000 -0.017 0.000 0.889 427 D CB -0.282 40.511 40.800 -0.012 0.000 0.912 427 D HN 0.531 nan 8.370 nan 0.000 0.524 428 N N -0.523 118.169 118.700 -0.014 0.000 2.275 428 N HA 0.112 4.851 4.740 -0.001 0.000 0.236 428 N C -0.941 174.571 175.510 0.003 0.000 1.154 428 N CA -0.128 52.922 53.050 0.000 0.000 0.866 428 N CB 1.544 40.037 38.487 0.009 0.000 1.093 428 N HN -0.177 nan 8.380 nan 0.000 0.515 429 V N 1.297 121.202 119.914 -0.015 0.000 2.808 429 V HA 0.354 4.473 4.120 -0.001 0.000 0.308 429 V C -1.301 174.769 176.094 -0.038 0.000 1.099 429 V CA -0.869 61.427 62.300 -0.008 0.000 0.920 429 V CB 2.540 34.345 31.823 -0.031 0.000 1.014 429 V HN -0.040 nan 8.190 nan 0.000 0.425 430 L N 5.503 126.679 121.223 -0.078 0.000 2.294 430 L HA 0.722 5.062 4.340 -0.001 0.000 0.283 430 L C -0.808 176.002 176.870 -0.100 0.000 1.015 430 L CA 0.138 54.888 54.840 -0.150 0.000 0.831 430 L CB 1.087 42.945 42.059 -0.335 0.000 1.217 430 L HN 0.552 nan 8.230 nan 0.000 0.420 431 L N 6.748 127.982 121.223 0.018 0.000 2.365 431 L HA 0.637 4.977 4.340 -0.001 0.000 0.267 431 L C -1.427 175.570 176.870 0.212 0.000 1.033 431 L CA -1.260 53.657 54.840 0.128 0.000 0.802 431 L CB 0.936 43.034 42.059 0.065 0.000 1.267 431 L HN 0.457 nan 8.230 nan 0.000 0.457 432 P HA -0.007 nan 4.420 nan 0.000 0.252 432 P C 0.443 177.787 177.300 0.073 0.000 1.265 432 P CA 0.724 63.914 63.100 0.150 0.000 0.775 432 P CB 0.228 31.967 31.700 0.065 0.000 1.128 433 T N -1.701 112.894 114.554 0.068 0.000 3.038 433 T HA 0.048 4.398 4.350 -0.001 0.000 0.244 433 T C 0.495 175.211 174.700 0.026 0.000 1.016 433 T CA 0.059 62.177 62.100 0.030 0.000 1.098 433 T CB -0.129 68.748 68.868 0.016 0.000 0.954 433 T HN 0.137 nan 8.240 nan 0.000 0.469 434 D N 3.491 123.912 120.400 0.034 0.000 2.450 434 D HA 0.181 4.820 4.640 -0.001 0.000 0.247 434 D C -2.502 173.814 176.300 0.027 0.000 1.162 434 D CA -1.119 52.893 54.000 0.020 0.000 0.879 434 D CB 0.718 41.523 40.800 0.010 0.000 1.163 434 D HN 0.165 nan 8.370 nan 0.000 0.472 435 P HA 0.154 nan 4.420 nan 0.000 0.271 435 P C -0.266 177.041 177.300 0.011 0.000 1.218 435 P CA -0.316 62.787 63.100 0.006 0.000 0.780 435 P CB 0.818 32.514 31.700 -0.006 0.000 0.901 436 I N 1.695 122.272 120.570 0.011 0.000 2.441 436 I HA 0.307 4.476 4.170 -0.001 0.000 0.295 436 I C 1.476 177.596 176.117 0.005 0.000 0.994 436 I CA -0.210 61.100 61.300 0.018 0.000 1.144 436 I CB 0.468 38.488 38.000 0.033 0.000 1.314 436 I HN 0.704 nan 8.210 nan 0.000 0.445 437 G N 4.490 113.295 108.800 0.008 0.000 2.180 437 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.263 437 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.263 437 G C 1.086 175.982 174.900 -0.006 0.000 0.989 437 G CA 0.856 45.958 45.100 0.003 0.000 0.692 437 G HN 1.648 nan 8.290 nan 0.000 0.526 438 G N -1.338 107.457 108.800 -0.008 0.000 2.253 438 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.251 438 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.251 438 G C 0.563 175.447 174.900 -0.027 0.000 0.998 438 G CA 0.952 46.043 45.100 -0.015 0.000 0.621 438 G HN 1.079 nan 8.290 nan 0.000 0.524 439 K N 1.376 121.757 120.400 -0.032 0.000 2.451 439 K HA 0.357 4.676 4.320 -0.001 0.000 0.280 439 K C 1.439 178.016 176.600 -0.038 0.000 1.020 439 K CA 0.586 56.845 56.287 -0.047 0.000 1.008 439 K CB 0.683 33.153 32.500 -0.051 0.000 0.917 439 K HN 0.212 nan 8.250 nan 0.000 0.478 440 T N 1.001 115.530 114.554 -0.042 0.000 2.904 440 T HA -0.061 4.288 4.350 -0.001 0.000 0.267 440 T C 1.381 176.061 174.700 -0.033 0.000 1.059 440 T CA 1.552 63.633 62.100 -0.032 0.000 1.137 440 T CB 0.119 68.969 68.868 -0.032 0.000 0.879 440 T HN 0.761 nan 8.240 nan 0.000 0.467 441 G N 0.733 109.508 108.800 -0.042 0.000 3.523 441 G HA2 0.391 4.351 3.960 -0.001 0.000 0.270 441 G HA3 0.391 4.351 3.960 -0.001 0.000 0.270 441 G C -0.051 174.811 174.900 -0.064 0.000 1.134 441 G CA -0.242 44.830 45.100 -0.046 0.000 0.825 441 G HN 0.305 nan 8.290 nan 0.000 0.534 442 I N 1.883 122.418 120.570 -0.058 0.000 2.478 442 I HA 0.360 4.529 4.170 -0.001 0.000 0.287 442 I C -1.188 174.903 176.117 -0.045 0.000 1.042 442 I CA -1.158 60.099 61.300 -0.072 0.000 1.067 442 I CB 1.381 39.348 38.000 -0.054 0.000 1.233 442 I HN 0.079 nan 8.210 nan 0.000 0.431 443 N N 4.804 123.467 118.700 -0.062 0.000 2.545 443 N HA 0.220 4.959 4.740 -0.001 0.000 0.289 443 N C 0.709 176.227 175.510 0.013 0.000 1.279 443 N CA -0.677 52.377 53.050 0.008 0.000 0.824 443 N CB 0.980 39.476 38.487 0.015 0.000 1.395 443 N HN 0.576 nan 8.380 nan 0.000 0.526 444 Y N -0.406 119.858 120.300 -0.060 0.000 2.256 444 Y HA -0.192 4.357 4.550 -0.001 0.000 0.288 444 Y C 2.204 178.086 175.900 -0.030 0.000 1.155 444 Y CA 1.874 59.935 58.100 -0.066 0.000 1.203 444 Y CB -1.440 36.935 38.460 -0.141 0.000 0.980 444 Y HN 0.622 nan 8.280 nan 0.000 0.530 445 T N -1.625 112.464 114.554 -0.776 0.000 2.803 445 T HA -0.225 4.124 4.350 -0.001 0.000 0.269 445 T C 1.393 176.098 174.700 0.009 0.000 1.052 445 T CA 1.731 63.547 62.100 -0.473 0.000 1.136 445 T CB -0.954 67.754 68.868 -0.268 0.000 0.864 445 T HN 0.546 nan 8.240 nan 0.000 0.467 446 N N 0.769 119.338 118.700 -0.218 0.000 2.453 446 N HA 0.080 4.819 4.740 -0.001 0.000 0.183 446 N C 1.380 176.846 175.510 -0.074 0.000 1.041 446 N CA 0.773 53.573 53.050 -0.417 0.000 0.900 446 N CB -0.109 38.082 38.487 -0.494 0.000 0.961 446 N HN 0.366 nan 8.380 nan 0.000 0.443 447 I N -0.598 119.991 120.570 0.032 0.000 3.081 447 I HA 0.066 4.236 4.170 -0.001 0.000 0.274 447 I C 0.430 176.684 176.117 0.228 0.000 1.178 447 I CA -0.074 61.297 61.300 0.118 0.000 1.460 447 I CB -0.941 37.138 38.000 0.131 0.000 1.137 447 I HN 0.023 nan 8.210 nan 0.000 0.443 448 F N 3.676 123.648 119.950 0.037 0.000 2.642 448 F HA -0.040 4.487 4.527 -0.001 0.000 0.371 448 F C 0.838 176.688 175.800 0.083 0.000 1.120 448 F CA 0.567 58.603 58.000 0.061 0.000 1.331 448 F CB -0.077 38.895 39.000 -0.047 0.000 1.044 448 F HN 0.103 nan 8.300 nan 0.000 0.594 449 N N 2.446 120.962 118.700 -0.307 0.000 2.549 449 N HA 0.126 4.866 4.740 -0.001 0.000 0.290 449 N C -0.682 174.581 175.510 -0.412 0.000 1.122 449 N CA -0.146 52.772 53.050 -0.220 0.000 0.885 449 N CB 1.347 39.842 38.487 0.013 0.000 1.455 449 N HN 0.599 nan 8.380 nan 0.000 0.521 450 T N 0.168 114.537 114.554 -0.308 0.000 3.269 450 T HA 0.162 4.511 4.350 -0.001 0.000 0.269 450 T C 0.052 174.804 174.700 0.087 0.000 0.993 450 T CA -0.341 61.631 62.100 -0.213 0.000 0.909 450 T CB -0.726 67.995 68.868 -0.246 0.000 1.115 450 T HN 0.369 nan 8.240 nan 0.000 0.543 451 Y N 1.691 122.023 120.300 0.053 0.000 2.335 451 Y HA 0.631 5.180 4.550 -0.001 0.000 0.331 451 Y C 0.492 176.345 175.900 -0.079 0.000 1.094 451 Y CA -0.131 57.951 58.100 -0.031 0.000 1.253 451 Y CB 0.580 38.944 38.460 -0.160 0.000 1.203 451 Y HN 0.490 nan 8.280 nan 0.000 0.508 452 G N 4.780 113.131 108.800 -0.749 0.000 2.561 452 G HA2 0.250 4.210 3.960 -0.001 0.000 0.310 452 G HA3 0.250 4.210 3.960 -0.001 0.000 0.310 452 G C -2.472 172.116 174.900 -0.520 0.000 1.292 452 G CA -1.045 43.718 45.100 -0.561 0.000 0.811 452 G HN 0.291 nan 8.290 nan 0.000 0.482 453 P HA 0.035 nan 4.420 nan 0.000 0.224 453 P C 1.186 178.384 177.300 -0.171 0.000 1.142 453 P CA 0.933 63.908 63.100 -0.208 0.000 0.778 453 P CB 0.090 31.709 31.700 -0.135 0.000 0.764 454 L N -2.999 118.120 121.223 -0.172 0.000 2.766 454 L HA 0.158 4.498 4.340 -0.001 0.000 0.242 454 L C 0.383 177.186 176.870 -0.112 0.000 1.136 454 L CA -0.049 54.718 54.840 -0.121 0.000 0.933 454 L CB -0.323 41.678 42.059 -0.096 0.000 1.241 454 L HN -0.259 nan 8.230 nan 0.000 0.522 455 T N 2.061 116.520 114.554 -0.158 0.000 2.769 455 T HA 0.405 4.755 4.350 -0.001 0.000 0.293 455 T C 0.450 175.134 174.700 -0.027 0.000 0.931 455 T CA -0.081 61.971 62.100 -0.079 0.000 1.139 455 T CB 0.969 69.773 68.868 -0.107 0.000 0.881 455 T HN 0.285 nan 8.240 nan 0.000 0.532 456 A N 3.710 126.528 122.820 -0.002 0.000 2.282 456 A HA 0.908 5.227 4.320 -0.001 0.000 0.319 456 A C -0.606 176.998 177.584 0.034 0.000 1.121 456 A CA -0.675 51.361 52.037 0.000 0.000 0.836 456 A CB 0.816 19.801 19.000 -0.025 0.000 1.146 456 A HN 0.757 nan 8.150 nan 0.000 0.494 457 L N 0.905 122.145 121.223 0.028 0.000 2.845 457 L HA 0.409 4.749 4.340 -0.001 0.000 0.256 457 L C -1.875 175.009 176.870 0.023 0.000 0.968 457 L CA -0.398 54.467 54.840 0.041 0.000 0.944 457 L CB 1.642 43.744 42.059 0.073 0.000 1.494 457 L HN 0.743 nan 8.230 nan 0.000 0.419 458 N N 1.803 120.512 118.700 0.015 0.000 2.471 458 N HA 0.436 5.175 4.740 -0.001 0.000 0.288 458 N C -1.134 174.391 175.510 0.025 0.000 1.220 458 N CA -0.686 52.373 53.050 0.015 0.000 0.893 458 N CB 1.314 39.807 38.487 0.009 0.000 1.256 458 N HN 0.694 nan 8.380 nan 0.000 0.534 459 N N -0.151 118.562 118.700 0.022 0.000 2.463 459 N HA 0.171 4.910 4.740 -0.001 0.000 0.270 459 N C -0.472 175.059 175.510 0.035 0.000 1.205 459 N CA -0.319 52.745 53.050 0.024 0.000 0.974 459 N CB 0.953 39.441 38.487 0.002 0.000 1.197 459 N HN 0.117 nan 8.380 nan 0.000 0.504 460 V N 3.527 123.468 119.914 0.046 0.000 2.752 460 V HA 0.033 4.152 4.120 -0.001 0.000 0.306 460 V C -1.609 174.511 176.094 0.043 0.000 1.099 460 V CA -0.332 62.007 62.300 0.065 0.000 1.240 460 V CB 0.342 32.209 31.823 0.073 0.000 0.887 460 V HN 0.694 nan 8.190 nan 0.000 0.499 461 P HA 0.439 nan 4.420 nan 0.000 0.283 461 P C -2.922 174.378 177.300 -0.000 0.000 1.271 461 P CA -2.457 60.670 63.100 0.046 0.000 0.841 461 P CB 1.039 32.814 31.700 0.126 0.000 1.122 462 P HA 0.162 nan 4.420 nan 0.000 0.275 462 P C -0.714 176.463 177.300 -0.204 0.000 1.227 462 P CA 0.062 63.133 63.100 -0.049 0.000 0.781 462 P CB 0.434 32.013 31.700 -0.202 0.000 0.906 463 V N 4.790 124.562 119.914 -0.238 0.000 2.304 463 V HA 0.199 4.319 4.120 -0.001 0.000 0.278 463 V C -0.524 175.363 176.094 -0.345 0.000 1.018 463 V CA -0.641 61.455 62.300 -0.341 0.000 0.814 463 V CB 0.011 31.626 31.823 -0.346 0.000 1.021 463 V HN 0.450 nan 8.190 nan 0.000 0.440 464 Y N 8.918 128.821 120.300 -0.662 0.000 2.304 464 Y HA 0.482 5.031 4.550 -0.001 0.000 0.328 464 Y C -1.633 174.023 175.900 -0.407 0.000 1.123 464 Y CA -1.638 55.959 58.100 -0.838 0.000 1.218 464 Y CB 2.155 39.552 38.460 -1.771 0.000 1.207 464 Y HN 0.421 nan 8.280 nan 0.000 0.495 465 P HA 0.127 nan 4.420 nan 0.000 0.282 465 P C -0.490 176.546 177.300 -0.440 0.000 1.373 465 P CA 0.337 62.677 63.100 -1.266 0.000 1.001 465 P CB 0.665 31.381 31.700 -1.640 0.000 1.489 466 N N 0.307 118.813 118.700 -0.323 0.000 2.422 466 N HA 0.024 4.763 4.740 -0.001 0.000 0.181 466 N C 1.274 176.644 175.510 -0.233 0.000 1.080 466 N CA 0.327 53.228 53.050 -0.248 0.000 0.893 466 N CB 0.234 38.454 38.487 -0.444 0.000 0.973 466 N HN 0.163 nan 8.380 nan 0.000 0.456 467 G N 0.782 109.467 108.800 -0.192 0.000 2.527 467 G HA2 0.074 4.034 3.960 -0.001 0.000 0.248 467 G HA3 0.074 4.034 3.960 -0.001 0.000 0.248 467 G C -0.075 174.861 174.900 0.059 0.000 1.231 467 G CA -0.264 44.856 45.100 0.033 0.000 0.838 467 G HN 0.147 nan 8.290 nan 0.000 0.570 468 Q N 0.326 120.148 119.800 0.038 0.000 2.354 468 Q HA 0.284 4.623 4.340 -0.001 0.000 0.244 468 Q C 0.632 176.513 176.000 -0.198 0.000 0.969 468 Q CA -0.449 55.279 55.803 -0.125 0.000 0.885 468 Q CB 0.791 29.493 28.738 -0.061 0.000 1.241 468 Q HN 0.520 nan 8.270 nan 0.000 0.461 469 I N 1.030 121.341 120.570 -0.432 0.000 2.681 469 I HA 0.102 4.271 4.170 -0.001 0.000 0.247 469 I C 0.189 176.383 176.117 0.128 0.000 1.091 469 I CA 0.182 61.268 61.300 -0.357 0.000 1.442 469 I CB 0.077 37.757 38.000 -0.535 0.000 1.219 469 I HN 0.658 nan 8.210 nan 0.000 0.451 470 W N 0.176 121.461 121.300 -0.024 0.000 2.902 470 W HA 0.730 5.390 4.660 -0.001 0.000 0.346 470 W C -1.419 175.190 176.519 0.151 0.000 1.139 470 W CA -0.914 56.465 57.345 0.057 0.000 1.139 470 W CB 0.584 29.978 29.460 -0.110 0.000 1.439 470 W HN -0.244 nan 8.180 nan 0.000 0.558 471 D N 0.844 121.469 120.400 0.376 0.000 2.756 471 D HA 0.249 4.889 4.640 -0.001 0.000 0.226 471 D C -1.406 175.001 176.300 0.178 0.000 1.186 471 D CA -0.845 53.369 54.000 0.355 0.000 0.845 471 D CB 2.230 43.240 40.800 0.351 0.000 1.610 471 D HN 0.510 nan 8.370 nan 0.000 0.465 472 K N 1.830 122.176 120.400 -0.090 0.000 2.218 472 K HA 0.272 4.591 4.320 -0.001 0.000 0.276 472 K C -0.222 176.385 176.600 0.013 0.000 1.022 472 K CA -0.435 55.653 56.287 -0.331 0.000 0.946 472 K CB 0.972 32.792 32.500 -1.133 0.000 1.000 472 K HN 0.347 nan 8.250 nan 0.000 0.468 473 E N 2.828 123.030 120.200 0.004 0.000 2.349 473 E HA 0.116 4.465 4.350 -0.001 0.000 0.265 473 E C -0.983 175.788 176.600 0.285 0.000 1.064 473 E CA -0.369 56.084 56.400 0.089 0.000 0.886 473 E CB 0.363 30.068 29.700 0.008 0.000 1.036 473 E HN 0.314 nan 8.360 nan 0.000 0.413 474 F N 1.931 121.987 119.950 0.176 0.000 2.518 474 F HA 0.090 4.616 4.527 -0.001 0.000 0.359 474 F C 1.105 176.943 175.800 0.065 0.000 1.118 474 F CA -0.484 57.575 58.000 0.098 0.000 1.287 474 F CB 0.367 39.409 39.000 0.070 0.000 1.132 474 F HN 0.471 nan 8.300 nan 0.000 0.587 475 D N 1.508 122.045 120.400 0.229 0.000 3.085 475 D HA 0.061 4.700 4.640 -0.001 0.000 0.243 475 D C -0.004 176.359 176.300 0.105 0.000 1.232 475 D CA -0.002 54.077 54.000 0.131 0.000 0.913 475 D CB -0.292 40.560 40.800 0.088 0.000 1.108 475 D HN 0.494 nan 8.370 nan 0.000 0.468 476 T N -3.151 111.487 114.554 0.139 0.000 2.945 476 T HA 0.264 4.614 4.350 -0.001 0.000 0.286 476 T C 1.039 175.791 174.700 0.086 0.000 1.025 476 T CA -0.873 61.287 62.100 0.101 0.000 1.039 476 T CB 1.734 70.679 68.868 0.129 0.000 1.068 476 T HN -0.186 nan 8.240 nan 0.000 0.497 477 D N 0.400 120.837 120.400 0.060 0.000 2.144 477 D HA 0.020 4.659 4.640 -0.001 0.000 0.199 477 D C 0.619 176.951 176.300 0.054 0.000 0.984 477 D CA 1.106 55.136 54.000 0.050 0.000 0.834 477 D CB 0.067 40.889 40.800 0.036 0.000 0.955 477 D HN 0.457 nan 8.370 nan 0.000 0.465 478 L N 0.831 122.091 121.223 0.062 0.000 2.329 478 L HA 0.406 4.746 4.340 -0.001 0.000 0.279 478 L C 0.219 177.138 176.870 0.082 0.000 1.014 478 L CA -0.640 54.237 54.840 0.061 0.000 0.814 478 L CB 1.985 44.076 42.059 0.054 0.000 1.257 478 L HN -0.312 nan 8.230 nan 0.000 0.424 479 K N 2.127 122.570 120.400 0.071 0.000 2.281 479 K HA 0.607 4.926 4.320 -0.001 0.000 0.242 479 K C -2.515 174.112 176.600 0.045 0.000 0.971 479 K CA -1.881 54.452 56.287 0.076 0.000 0.834 479 K CB 1.244 33.784 32.500 0.066 0.000 1.181 479 K HN 0.297 nan 8.250 nan 0.000 0.435 480 P HA 0.142 nan 4.420 nan 0.000 0.267 480 P C -0.079 177.228 177.300 0.012 0.000 1.205 480 P CA -0.164 62.929 63.100 -0.012 0.000 0.765 480 P CB 0.522 32.160 31.700 -0.104 0.000 0.828 481 R N 1.707 122.209 120.500 0.005 0.000 2.341 481 R HA 0.040 4.379 4.340 -0.001 0.000 0.213 481 R C 0.821 177.130 176.300 0.016 0.000 1.082 481 R CA 0.716 56.823 56.100 0.012 0.000 1.017 481 R CB -0.673 29.635 30.300 0.012 0.000 0.860 481 R HN 0.533 nan 8.270 nan 0.000 0.473 482 L N -5.460 115.784 121.223 0.035 0.000 3.075 482 L HA 0.385 4.725 4.340 -0.001 0.000 0.274 482 L C -1.516 175.456 176.870 0.170 0.000 1.006 482 L CA -1.144 53.736 54.840 0.066 0.000 0.972 482 L CB 1.684 43.767 42.059 0.040 0.000 1.515 482 L HN -0.156 nan 8.230 nan 0.000 0.402 483 H N 0.461 119.492 119.070 -0.065 0.000 2.524 483 H HA 0.467 5.022 4.556 -0.001 0.000 0.353 483 H C -0.038 175.284 175.328 -0.010 0.000 1.136 483 H CA -0.790 55.216 56.048 -0.070 0.000 1.193 483 H CB 2.912 32.636 29.762 -0.064 0.000 1.558 483 H HN 0.566 nan 8.280 nan 0.000 0.515 484 I N 1.934 122.554 120.570 0.084 0.000 3.059 484 I HA -0.159 4.010 4.170 -0.001 0.000 0.270 484 I C 1.744 177.917 176.117 0.094 0.000 1.238 484 I CA 1.013 62.357 61.300 0.073 0.000 1.478 484 I CB -0.362 37.659 38.000 0.036 0.000 1.097 484 I HN 0.658 nan 8.210 nan 0.000 0.455 485 N N 0.048 118.818 118.700 0.117 0.000 2.405 485 N HA 0.266 5.005 4.740 -0.001 0.000 0.175 485 N C 0.568 176.169 175.510 0.152 0.000 1.051 485 N CA 0.370 53.497 53.050 0.129 0.000 0.899 485 N CB 0.355 38.917 38.487 0.124 0.000 1.000 485 N HN 0.105 nan 8.380 nan 0.000 0.451 486 A N 0.579 123.495 122.820 0.161 0.000 2.549 486 A HA 0.448 4.767 4.320 -0.001 0.000 0.297 486 A C -2.291 175.348 177.584 0.092 0.000 1.061 486 A CA -1.369 50.755 52.037 0.145 0.000 0.690 486 A CB 1.488 20.579 19.000 0.151 0.000 1.287 486 A HN -0.016 nan 8.150 nan 0.000 0.402 487 P HA 0.143 nan 4.420 nan 0.000 0.235 487 P C -0.332 176.768 177.300 -0.333 0.000 1.177 487 P CA 0.747 63.736 63.100 -0.186 0.000 0.785 487 P CB 0.079 31.608 31.700 -0.285 0.000 0.885 488 F N 0.054 120.090 119.950 0.144 0.000 2.467 488 F HA 0.344 4.870 4.527 -0.001 0.000 0.336 488 F C 0.095 175.931 175.800 0.061 0.000 1.123 488 F CA -1.281 56.772 58.000 0.088 0.000 0.964 488 F CB 1.998 41.041 39.000 0.072 0.000 1.136 488 F HN -0.420 nan 8.300 nan 0.000 0.447 489 V N 2.727 122.746 119.914 0.176 0.000 2.380 489 V HA 0.216 4.336 4.120 -0.001 0.000 0.286 489 V C -0.571 175.566 176.094 0.072 0.000 1.015 489 V CA -1.107 61.206 62.300 0.021 0.000 0.834 489 V CB 1.101 32.762 31.823 -0.270 0.000 1.009 489 V HN 0.906 nan 8.190 nan 0.000 0.428 490 c N 4.089 122.776 118.600 0.146 0.000 2.627 490 c HA 0.208 4.778 4.570 -0.001 0.000 0.404 490 c C 1.663 175.802 174.090 0.081 0.000 1.340 490 c CA -0.392 56.040 56.329 0.173 0.000 1.758 490 c CB -0.068 42.610 42.510 0.279 0.000 2.501 490 c HN 0.916 nan 8.230 nan 0.000 0.588 491 Q N 2.830 122.670 119.800 0.065 0.000 1.822 491 Q HA -0.097 4.243 4.340 -0.001 0.000 0.251 491 Q C 1.921 177.949 176.000 0.046 0.000 0.969 491 Q CA 1.654 57.478 55.803 0.035 0.000 0.875 491 Q CB -0.286 28.470 28.738 0.030 0.000 0.917 491 Q HN 0.786 nan 8.270 nan 0.000 0.428 492 N N 1.468 120.197 118.700 0.048 0.000 2.058 492 N HA -0.121 4.618 4.740 -0.001 0.000 0.191 492 N C 0.210 175.760 175.510 0.067 0.000 1.037 492 N CA 1.159 54.236 53.050 0.045 0.000 0.848 492 N CB -0.265 38.238 38.487 0.027 0.000 1.021 492 N HN 0.502 nan 8.380 nan 0.000 0.422 493 N N -0.611 118.157 118.700 0.113 0.000 2.354 493 N HA 0.436 5.175 4.740 -0.001 0.000 0.287 493 N C -1.446 174.302 175.510 0.395 0.000 1.016 493 N CA -0.694 52.484 53.050 0.214 0.000 0.871 493 N CB 1.747 40.340 38.487 0.176 0.000 1.299 493 N HN -0.109 nan 8.380 nan 0.000 0.482 494 c N 2.088 120.775 118.600 0.145 0.000 2.493 494 c HA 0.569 5.138 4.570 -0.001 0.000 0.326 494 c C -2.213 171.504 174.090 -0.622 0.000 1.200 494 c CA -1.320 54.909 56.329 -0.167 0.000 1.739 494 c CB 1.423 43.890 42.510 -0.072 0.000 2.300 494 c HN 0.669 nan 8.230 nan 0.000 0.500 495 P HA 0.150 nan 4.420 nan 0.000 0.266 495 P C -0.091 177.089 177.300 -0.201 0.000 1.193 495 P CA 0.574 63.097 63.100 -0.962 0.000 0.770 495 P CB 0.381 31.738 31.700 -0.572 0.000 0.836 496 G N 1.987 110.720 108.800 -0.112 0.000 2.476 496 G HA2 0.209 4.169 3.960 -0.001 0.000 0.269 496 G HA3 0.209 4.169 3.960 -0.001 0.000 0.269 496 G C -0.586 174.308 174.900 -0.009 0.000 1.195 496 G CA -0.563 44.533 45.100 -0.006 0.000 0.843 496 G HN 0.446 nan 8.290 nan 0.000 0.545 497 Q N -0.393 119.362 119.800 -0.076 0.000 2.352 497 Q HA 0.261 4.600 4.340 -0.001 0.000 0.260 497 Q C -0.779 174.824 176.000 -0.661 0.000 0.976 497 Q CA -0.500 55.078 55.803 -0.375 0.000 0.881 497 Q CB 1.981 30.379 28.738 -0.567 0.000 1.235 497 Q HN 0.335 nan 8.270 nan 0.000 0.419 498 L N 2.932 123.764 121.223 -0.650 0.000 2.272 498 L HA 0.446 4.785 4.340 -0.001 0.000 0.289 498 L C -1.640 174.804 176.870 -0.709 0.000 1.032 498 L CA -0.092 54.451 54.840 -0.494 0.000 0.810 498 L CB 0.378 42.365 42.059 -0.121 0.000 1.205 498 L HN 0.401 nan 8.230 nan 0.000 0.422 499 F N 4.624 124.480 119.950 -0.156 0.000 2.469 499 F HA 0.690 5.216 4.527 -0.001 0.000 0.332 499 F C 0.069 175.974 175.800 0.175 0.000 1.103 499 F CA -0.778 57.191 58.000 -0.052 0.000 0.979 499 F CB 1.822 40.655 39.000 -0.279 0.000 1.137 499 F HN 0.135 nan 8.300 nan 0.000 0.463 500 V N 2.553 122.729 119.914 0.437 0.000 2.919 500 V HA 0.690 4.810 4.120 -0.001 0.000 0.316 500 V C -0.676 175.542 176.094 0.208 0.000 1.077 500 V CA -1.116 61.345 62.300 0.269 0.000 0.977 500 V CB 2.283 34.175 31.823 0.115 0.000 1.039 500 V HN 0.741 nan 8.190 nan 0.000 0.441 501 K N 1.727 122.077 120.400 -0.084 0.000 2.592 501 K HA 0.399 4.718 4.320 -0.001 0.000 0.259 501 K C -1.950 174.483 176.600 -0.277 0.000 0.937 501 K CA -0.572 55.503 56.287 -0.354 0.000 0.874 501 K CB 2.084 33.908 32.500 -1.127 0.000 1.339 501 K HN 0.404 nan 8.250 nan 0.000 0.425 502 V N 3.538 123.342 119.914 -0.184 0.000 2.421 502 V HA 0.205 4.324 4.120 -0.001 0.000 0.271 502 V C 0.758 176.758 176.094 -0.157 0.000 1.031 502 V CA 0.020 62.246 62.300 -0.124 0.000 1.032 502 V CB 0.411 32.196 31.823 -0.063 0.000 1.009 502 V HN 0.833 nan 8.190 nan 0.000 0.477 503 A N 9.329 132.068 122.820 -0.134 0.000 2.531 503 A HA 0.343 4.662 4.320 -0.001 0.000 0.236 503 A C -1.616 175.912 177.584 -0.095 0.000 1.062 503 A CA -0.861 51.103 52.037 -0.120 0.000 0.760 503 A CB -0.318 18.635 19.000 -0.078 0.000 0.995 503 A HN 0.733 nan 8.150 nan 0.000 0.501 504 P HA -0.024 nan 4.420 nan 0.000 0.261 504 P C -0.749 176.507 177.300 -0.074 0.000 1.203 504 P CA 0.041 63.093 63.100 -0.080 0.000 0.767 504 P CB 0.230 31.876 31.700 -0.090 0.000 0.785 505 N N 4.557 123.227 118.700 -0.050 0.000 2.918 505 N HA 0.163 4.903 4.740 -0.001 0.000 0.247 505 N C 0.141 175.631 175.510 -0.033 0.000 1.117 505 N CA -0.293 52.733 53.050 -0.039 0.000 1.005 505 N CB -0.420 38.056 38.487 -0.019 0.000 1.297 505 N HN 0.341 nan 8.380 nan 0.000 0.513 506 L N 0.530 121.715 121.223 -0.063 0.000 2.482 506 L HA 0.153 4.492 4.340 -0.001 0.000 0.273 506 L C 1.546 178.414 176.870 -0.003 0.000 1.228 506 L CA -0.112 54.698 54.840 -0.048 0.000 0.827 506 L CB 0.134 42.103 42.059 -0.151 0.000 1.099 506 L HN 0.381 nan 8.230 nan 0.000 0.494 507 T N -2.661 111.917 114.554 0.039 0.000 2.910 507 T HA 0.147 4.496 4.350 -0.001 0.000 0.279 507 T C 1.063 175.796 174.700 0.055 0.000 0.989 507 T CA -0.508 61.617 62.100 0.042 0.000 0.968 507 T CB 0.941 69.838 68.868 0.048 0.000 1.135 507 T HN 0.705 nan 8.240 nan 0.000 0.562 508 N N 0.060 118.787 118.700 0.045 0.000 2.364 508 N HA -0.143 4.596 4.740 -0.001 0.000 0.183 508 N C 0.128 175.680 175.510 0.069 0.000 1.022 508 N CA 0.688 53.767 53.050 0.048 0.000 0.883 508 N CB -0.425 38.082 38.487 0.033 0.000 0.965 508 N HN 0.760 nan 8.380 nan 0.000 0.438 509 Q N -0.175 119.670 119.800 0.076 0.000 2.368 509 Q HA 0.346 4.685 4.340 -0.001 0.000 0.256 509 Q C -1.691 174.393 176.000 0.140 0.000 0.980 509 Q CA -0.473 55.377 55.803 0.078 0.000 0.887 509 Q CB 1.105 29.868 28.738 0.043 0.000 1.221 509 Q HN 0.338 nan 8.270 nan 0.000 0.458 510 Y N 1.760 122.063 120.300 0.006 0.000 2.399 510 Y HA 0.304 4.853 4.550 -0.001 0.000 0.327 510 Y C -1.905 174.000 175.900 0.008 0.000 1.111 510 Y CA -1.054 57.050 58.100 0.007 0.000 1.047 510 Y CB 1.733 40.198 38.460 0.008 0.000 1.259 510 Y HN 0.547 nan 8.280 nan 0.000 0.434 511 D N 8.047 128.048 120.400 -0.666 0.000 2.421 511 D HA 0.429 5.069 4.640 -0.001 0.000 0.254 511 D C -2.294 173.674 176.300 -0.554 0.000 1.238 511 D CA -2.358 51.385 54.000 -0.429 0.000 0.919 511 D CB 2.288 42.964 40.800 -0.208 0.000 1.152 511 D HN 0.304 nan 8.370 nan 0.000 0.552 512 P HA -0.085 nan 4.420 nan 0.000 0.216 512 P C -0.481 176.750 177.300 -0.115 0.000 1.153 512 P CA 1.100 64.086 63.100 -0.190 0.000 0.858 512 P CB 0.136 31.866 31.700 0.050 0.000 0.789 513 D N -0.480 119.866 120.400 -0.090 0.000 2.994 513 D HA 0.409 5.049 4.640 -0.001 0.000 0.240 513 D C -0.133 176.126 176.300 -0.068 0.000 1.195 513 D CA -0.006 53.962 54.000 -0.054 0.000 0.957 513 D CB -0.464 40.318 40.800 -0.030 0.000 1.105 513 D HN 0.075 nan 8.370 nan 0.000 0.477 514 A N 0.431 123.198 122.820 -0.089 0.000 2.466 514 A HA 0.430 4.750 4.320 -0.001 0.000 0.284 514 A C 1.232 178.776 177.584 -0.068 0.000 1.049 514 A CA -0.772 51.217 52.037 -0.079 0.000 0.760 514 A CB 0.965 19.903 19.000 -0.103 0.000 1.274 514 A HN 0.157 nan 8.150 nan 0.000 0.412 515 S N 2.440 118.114 115.700 -0.043 0.000 2.380 515 S HA -0.135 4.334 4.470 -0.001 0.000 0.229 515 S C 2.033 176.613 174.600 -0.034 0.000 1.043 515 S CA 2.148 60.330 58.200 -0.031 0.000 1.038 515 S CB -1.045 62.140 63.200 -0.025 0.000 0.872 515 S HN 2.442 nan 8.310 nan 0.000 0.456 516 A N 2.672 125.467 122.820 -0.041 0.000 2.623 516 A HA -0.278 4.041 4.320 -0.001 0.000 0.260 516 A C 0.836 178.404 177.584 -0.026 0.000 1.768 516 A CA 2.074 54.088 52.037 -0.039 0.000 1.052 516 A CB -1.367 17.599 19.000 -0.057 0.000 0.464 516 A HN 0.820 nan 8.150 nan 0.000 0.414 517 N N -2.541 116.145 118.700 -0.025 0.000 6.334 517 N HA 0.083 4.822 4.740 -0.001 0.000 0.126 517 N C -0.452 175.069 175.510 0.018 0.000 1.087 517 N CA 0.706 53.757 53.050 0.001 0.000 1.116 517 N CB -0.623 37.865 38.487 0.002 0.000 1.481 517 N HN 1.057 nan 8.380 nan 0.000 1.167 518 M N 0.756 120.387 119.600 0.051 0.000 2.226 518 M HA 0.015 4.495 4.480 -0.001 0.000 0.377 518 M C 0.186 176.555 176.300 0.114 0.000 1.309 518 M CA 0.691 56.073 55.300 0.138 0.000 0.874 518 M CB 0.050 32.859 32.600 0.349 0.000 1.902 518 M HN 0.417 nan 8.290 nan 0.000 0.485 519 S N 4.857 120.626 115.700 0.116 0.000 2.462 519 S HA 0.803 5.272 4.470 -0.001 0.000 0.294 519 S C -0.450 174.204 174.600 0.091 0.000 1.144 519 S CA -1.123 57.124 58.200 0.077 0.000 1.088 519 S CB 1.360 64.592 63.200 0.053 0.000 1.009 519 S HN 0.933 nan 8.310 nan 0.000 0.484 520 R N 1.986 122.520 120.500 0.057 0.000 2.837 520 R HA 0.532 4.871 4.340 -0.001 0.000 0.271 520 R C -0.963 175.355 176.300 0.030 0.000 0.993 520 R CA -0.961 55.163 56.100 0.040 0.000 0.931 520 R CB 0.636 30.949 30.300 0.022 0.000 1.206 520 R HN 0.654 nan 8.270 nan 0.000 0.474 521 I N 1.599 122.184 120.570 0.024 0.000 2.752 521 I HA -0.066 4.104 4.170 -0.001 0.000 0.289 521 I C 0.537 176.677 176.117 0.039 0.000 1.197 521 I CA -0.221 61.096 61.300 0.028 0.000 1.432 521 I CB 0.789 38.802 38.000 0.022 0.000 1.359 521 I HN 0.231 nan 8.210 nan 0.000 0.571 522 V N 6.889 126.835 119.914 0.053 0.000 2.409 522 V HA 0.011 4.130 4.120 -0.001 0.000 0.270 522 V C 0.468 176.638 176.094 0.128 0.000 1.019 522 V CA 0.595 62.943 62.300 0.081 0.000 1.066 522 V CB -0.383 31.490 31.823 0.084 0.000 1.021 522 V HN 0.795 nan 8.190 nan 0.000 0.476 523 T N 5.608 120.234 114.554 0.120 0.000 2.924 523 T HA 0.797 5.147 4.350 -0.001 0.000 0.291 523 T C -0.810 174.014 174.700 0.207 0.000 1.045 523 T CA -0.437 61.740 62.100 0.128 0.000 1.015 523 T CB 1.857 70.744 68.868 0.032 0.000 1.103 523 T HN 0.662 nan 8.240 nan 0.000 0.496 524 Y N -1.397 118.896 120.300 -0.012 0.000 2.609 524 Y HA 0.802 5.351 4.550 -0.001 0.000 0.336 524 Y C -0.832 175.022 175.900 -0.078 0.000 1.129 524 Y CA -1.134 56.923 58.100 -0.071 0.000 1.040 524 Y CB 1.339 39.748 38.460 -0.085 0.000 1.310 524 Y HN 0.642 nan 8.280 nan 0.000 0.460 525 S N 1.211 116.872 115.700 -0.066 0.000 2.536 525 S HA 0.594 5.063 4.470 -0.001 0.000 0.287 525 S C -2.057 172.502 174.600 -0.069 0.000 1.101 525 S CA -0.640 57.509 58.200 -0.086 0.000 0.950 525 S CB 1.420 64.650 63.200 0.049 0.000 1.056 525 S HN 0.701 nan 8.310 nan 0.000 0.481 526 D N 3.059 123.432 120.400 -0.046 0.000 2.498 526 D HA 0.650 5.290 4.640 -0.001 0.000 0.247 526 D C -0.830 175.467 176.300 -0.005 0.000 1.070 526 D CA -0.001 53.925 54.000 -0.123 0.000 0.842 526 D CB 1.547 42.301 40.800 -0.076 0.000 1.361 526 D HN 0.535 nan 8.370 nan 0.000 0.484 527 F N -1.602 118.261 119.950 -0.145 0.000 2.654 527 F HA 0.643 5.170 4.527 -0.001 0.000 0.308 527 F C -1.680 174.000 175.800 -0.200 0.000 1.108 527 F CA -1.429 56.522 58.000 -0.081 0.000 0.957 527 F CB 0.805 39.808 39.000 0.005 0.000 1.309 527 F HN 0.111 nan 8.300 nan 0.000 0.446 528 W N 1.867 123.124 121.300 -0.070 0.000 2.381 528 W HA 0.521 5.180 4.660 -0.001 0.000 0.329 528 W C -1.079 175.425 176.519 -0.025 0.000 1.157 528 W CA -0.326 56.846 57.345 -0.288 0.000 1.240 528 W CB 1.251 30.129 29.460 -0.970 0.000 1.199 528 W HN 0.773 nan 8.180 nan 0.000 0.579 529 W N 4.272 125.681 121.300 0.182 0.000 2.736 529 W HA 0.592 5.251 4.660 -0.001 0.000 0.335 529 W C -1.309 175.402 176.519 0.321 0.000 1.059 529 W CA -1.494 56.026 57.345 0.291 0.000 1.226 529 W CB 1.311 30.916 29.460 0.242 0.000 1.416 529 W HN 0.248 nan 8.180 nan 0.000 0.505 530 K N 4.318 124.339 120.400 -0.632 0.000 2.553 530 K HA 0.654 4.973 4.320 -0.001 0.000 0.250 530 K C -0.657 175.300 176.600 -1.072 0.000 0.953 530 K CA -0.637 55.230 56.287 -0.699 0.000 0.800 530 K CB 1.466 33.922 32.500 -0.073 0.000 1.243 530 K HN 0.738 nan 8.250 nan 0.000 0.435 531 G N 2.150 110.347 108.800 -1.005 0.000 2.685 531 G HA2 0.542 4.501 3.960 -0.001 0.000 0.298 531 G HA3 0.542 4.501 3.960 -0.001 0.000 0.298 531 G C -1.592 173.469 174.900 0.268 0.000 1.277 531 G CA -0.598 44.368 45.100 -0.224 0.000 0.986 531 G HN 0.441 nan 8.290 nan 0.000 0.487 532 K N 0.208 120.837 120.400 0.383 0.000 2.652 532 K HA 0.437 4.756 4.320 -0.001 0.000 0.249 532 K C -1.991 174.609 176.600 -0.001 0.000 0.986 532 K CA -0.659 55.740 56.287 0.187 0.000 0.867 532 K CB 1.679 34.181 32.500 0.004 0.000 1.201 532 K HN 0.310 nan 8.250 nan 0.000 0.450 533 L N 4.923 125.938 121.223 -0.346 0.000 2.313 533 L HA 0.507 4.846 4.340 -0.001 0.000 0.283 533 L C -1.328 175.302 176.870 -0.401 0.000 1.013 533 L CA -0.582 53.871 54.840 -0.644 0.000 0.816 533 L CB 1.839 43.014 42.059 -1.474 0.000 1.236 533 L HN 0.373 nan 8.230 nan 0.000 0.419 534 V N 5.674 125.327 119.914 -0.435 0.000 2.448 534 V HA 0.520 4.640 4.120 -0.001 0.000 0.295 534 V C -0.396 175.442 176.094 -0.427 0.000 1.025 534 V CA -0.428 61.709 62.300 -0.271 0.000 0.859 534 V CB 1.350 33.075 31.823 -0.163 0.000 0.988 534 V HN 0.529 nan 8.190 nan 0.000 0.431 535 F N 2.728 122.667 119.950 -0.019 0.000 2.594 535 F HA 0.724 5.250 4.527 -0.001 0.000 0.335 535 F C 0.114 175.948 175.800 0.057 0.000 1.058 535 F CA -0.971 57.048 58.000 0.032 0.000 0.981 535 F CB 1.976 41.044 39.000 0.113 0.000 1.289 535 F HN 0.247 nan 8.300 nan 0.000 0.490 536 K N 0.905 121.517 120.400 0.352 0.000 2.471 536 K HA 0.832 5.151 4.320 -0.001 0.000 0.252 536 K C -1.645 175.214 176.600 0.431 0.000 0.938 536 K CA -0.397 56.070 56.287 0.300 0.000 0.796 536 K CB 1.756 34.362 32.500 0.176 0.000 1.161 536 K HN 0.759 nan 8.250 nan 0.000 0.425 537 A N 3.251 126.267 122.820 0.327 0.000 2.469 537 A HA 0.624 4.944 4.320 -0.001 0.000 0.299 537 A C -1.532 175.904 177.584 -0.247 0.000 1.098 537 A CA -0.810 51.314 52.037 0.146 0.000 0.737 537 A CB 1.485 20.528 19.000 0.072 0.000 1.312 537 A HN 0.649 nan 8.150 nan 0.000 0.414 538 K N 1.339 121.360 120.400 -0.631 0.000 2.182 538 K HA 0.644 4.963 4.320 -0.001 0.000 0.262 538 K C -1.067 175.267 176.600 -0.443 0.000 0.957 538 K CA -0.537 55.133 56.287 -1.028 0.000 0.842 538 K CB 0.884 32.526 32.500 -1.431 0.000 1.099 538 K HN 0.677 nan 8.250 nan 0.000 0.438 539 L N 5.126 126.154 121.223 -0.325 0.000 2.380 539 L HA 0.255 4.594 4.340 -0.001 0.000 0.273 539 L C 0.800 177.577 176.870 -0.154 0.000 1.138 539 L CA -0.322 54.421 54.840 -0.162 0.000 0.832 539 L CB 0.634 42.637 42.059 -0.092 0.000 1.124 539 L HN 0.714 nan 8.230 nan 0.000 0.454 540 R N 2.898 123.331 120.500 -0.112 0.000 2.560 540 R HA 0.752 5.091 4.340 -0.001 0.000 0.270 540 R C -0.704 175.554 176.300 -0.070 0.000 1.074 540 R CA -0.545 55.514 56.100 -0.068 0.000 1.140 540 R CB 1.101 31.368 30.300 -0.055 0.000 1.073 540 R HN 0.605 nan 8.270 nan 0.000 0.527 541 A N 1.144 123.939 122.820 -0.042 0.000 2.386 541 A HA 0.438 4.758 4.320 -0.001 0.000 0.308 541 A C -0.862 176.544 177.584 -0.297 0.000 1.128 541 A CA -0.804 51.116 52.037 -0.196 0.000 0.789 541 A CB 1.908 20.734 19.000 -0.290 0.000 1.325 541 A HN 0.732 nan 8.150 nan 0.000 0.437 542 S N -0.902 114.591 115.700 -0.345 0.000 2.452 542 S HA 0.434 4.903 4.470 -0.001 0.000 0.284 542 S C 0.046 174.408 174.600 -0.395 0.000 1.171 542 S CA -0.305 57.745 58.200 -0.249 0.000 1.064 542 S CB -0.143 62.955 63.200 -0.170 0.000 0.967 542 S HN 0.688 nan 8.310 nan 0.000 0.484 543 H N 1.856 120.923 119.070 -0.006 0.000 2.885 543 H HA 0.230 4.785 4.556 -0.001 0.000 0.260 543 H C 1.035 176.390 175.328 0.046 0.000 0.985 543 H CA 0.563 56.621 56.048 0.016 0.000 1.210 543 H CB 0.567 30.340 29.762 0.017 0.000 1.466 543 H HN 0.652 nan 8.280 nan 0.000 0.493 544 T N -3.112 111.530 114.554 0.147 0.000 2.948 544 T HA -0.026 4.324 4.350 -0.001 0.000 0.285 544 T C 0.750 175.542 174.700 0.153 0.000 1.019 544 T CA -0.996 61.199 62.100 0.159 0.000 1.013 544 T CB 1.517 70.474 68.868 0.148 0.000 1.117 544 T HN 0.376 nan 8.240 nan 0.000 0.533 545 W N 2.246 123.558 121.300 0.020 0.000 2.518 545 W HA 0.030 4.689 4.660 -0.001 0.000 0.273 545 W C 0.088 176.607 176.519 -0.001 0.000 1.247 545 W CA 0.481 57.830 57.345 0.006 0.000 1.288 545 W CB -0.434 29.031 29.460 0.008 0.000 1.107 545 W HN 0.884 nan 8.180 nan 0.000 0.586 546 N N 1.851 120.690 118.700 0.232 0.000 2.515 546 N HA 0.269 5.008 4.740 -0.001 0.000 0.279 546 N C -2.216 173.306 175.510 0.021 0.000 1.164 546 N CA -1.147 51.983 53.050 0.133 0.000 0.982 546 N CB 0.324 38.904 38.487 0.155 0.000 1.170 546 N HN -0.166 nan 8.380 nan 0.000 0.474 547 P HA 0.284 nan 4.420 nan 0.000 0.293 547 P C -0.547 176.751 177.300 -0.004 0.000 1.298 547 P CA -0.235 62.845 63.100 -0.033 0.000 0.757 547 P CB 0.937 32.612 31.700 -0.042 0.000 1.262 548 I N -2.729 117.835 120.570 -0.010 0.000 3.279 548 I HA 0.250 4.420 4.170 -0.001 0.000 0.315 548 I C 0.240 176.360 176.117 0.005 0.000 1.187 548 I CA -1.241 60.064 61.300 0.009 0.000 0.953 548 I CB 1.596 39.606 38.000 0.017 0.000 1.279 548 I HN 0.286 nan 8.210 nan 0.000 0.465 549 Q N 2.492 122.309 119.800 0.028 0.000 2.263 549 Q HA 0.064 4.403 4.340 -0.001 0.000 0.289 549 Q C -1.346 174.653 176.000 -0.002 0.000 1.061 549 Q CA 0.427 56.244 55.803 0.023 0.000 0.927 549 Q CB 0.568 29.343 28.738 0.061 0.000 1.154 549 Q HN 0.283 nan 8.270 nan 0.000 0.378 550 Q N 3.534 123.320 119.800 -0.023 0.000 2.345 550 Q HA 0.258 4.597 4.340 -0.001 0.000 0.275 550 Q C -0.943 175.025 176.000 -0.053 0.000 1.063 550 Q CA -0.588 55.186 55.803 -0.048 0.000 0.819 550 Q CB 2.039 30.741 28.738 -0.059 0.000 1.356 550 Q HN 0.806 nan 8.270 nan 0.000 0.418 551 M N 1.585 121.141 119.600 -0.074 0.000 2.228 551 M HA 0.343 4.822 4.480 -0.001 0.000 0.351 551 M C -0.480 175.769 176.300 -0.085 0.000 1.233 551 M CA 0.495 55.751 55.300 -0.073 0.000 1.129 551 M CB 0.648 33.193 32.600 -0.091 0.000 1.604 551 M HN 0.617 nan 8.290 nan 0.000 0.457 552 S N 4.568 120.227 115.700 -0.068 0.000 2.638 552 S HA 0.592 5.061 4.470 -0.001 0.000 0.274 552 S C -1.251 173.317 174.600 -0.052 0.000 1.157 552 S CA -0.991 57.166 58.200 -0.071 0.000 0.826 552 S CB 1.454 64.623 63.200 -0.052 0.000 1.139 552 S HN 0.801 nan 8.310 nan 0.000 0.474 553 I N 3.261 123.798 120.570 -0.055 0.000 2.353 553 I HA 0.400 4.570 4.170 -0.001 0.000 0.293 553 I C -0.587 175.534 176.117 0.007 0.000 0.992 553 I CA -0.524 60.772 61.300 -0.006 0.000 1.268 553 I CB 0.927 38.904 38.000 -0.040 0.000 1.387 553 I HN 0.662 nan 8.210 nan 0.000 0.478 554 N N 5.044 123.766 118.700 0.037 0.000 2.592 554 N HA 0.275 5.014 4.740 -0.001 0.000 0.292 554 N C 0.555 176.064 175.510 -0.001 0.000 1.260 554 N CA -0.619 52.440 53.050 0.016 0.000 0.910 554 N CB 1.509 40.011 38.487 0.026 0.000 1.257 554 N HN 0.267 nan 8.380 nan 0.000 0.569 555 V N 0.270 120.187 119.914 0.006 0.000 3.380 555 V HA -0.053 4.066 4.120 -0.001 0.000 0.268 555 V C 0.719 176.839 176.094 0.043 0.000 1.168 555 V CA 1.217 63.524 62.300 0.012 0.000 1.156 555 V CB -0.515 31.329 31.823 0.034 0.000 0.785 555 V HN 0.496 nan 8.190 nan 0.000 0.487 556 D N 0.720 121.144 120.400 0.041 0.000 2.323 556 D HA -0.020 4.620 4.640 -0.001 0.000 0.218 556 D C 1.791 178.123 176.300 0.053 0.000 0.973 556 D CA 1.193 55.230 54.000 0.061 0.000 0.890 556 D CB -0.046 40.783 40.800 0.049 0.000 1.011 556 D HN 0.666 nan 8.370 nan 0.000 0.499 557 N N 0.967 119.690 118.700 0.039 0.000 2.305 557 N HA -0.090 4.649 4.740 -0.001 0.000 0.179 557 N C 1.711 177.171 175.510 -0.083 0.000 1.019 557 N CA 0.176 53.228 53.050 0.004 0.000 0.869 557 N CB -0.140 38.461 38.487 0.191 0.000 1.000 557 N HN -0.021 nan 8.380 nan 0.000 0.431 558 Q N 0.413 120.186 119.800 -0.045 0.000 2.377 558 Q HA -0.291 4.048 4.340 -0.001 0.000 0.225 558 Q C 0.347 176.124 176.000 -0.372 0.000 1.097 558 Q CA 2.430 58.080 55.803 -0.255 0.000 0.985 558 Q CB -0.510 27.858 28.738 -0.617 0.000 1.071 558 Q HN 0.528 nan 8.270 nan 0.000 0.505 559 F N -0.151 119.795 119.950 -0.006 0.000 2.725 559 F HA 0.158 4.684 4.527 -0.001 0.000 0.303 559 F C 1.100 176.833 175.800 -0.112 0.000 1.167 559 F CA 0.410 58.397 58.000 -0.023 0.000 1.403 559 F CB -0.039 38.960 39.000 -0.002 0.000 1.077 559 F HN 0.192 nan 8.300 nan 0.000 0.537 560 N N -1.480 117.051 118.700 -0.280 0.000 2.236 560 N HA 0.013 4.752 4.740 -0.001 0.000 0.196 560 N C 0.009 175.230 175.510 -0.483 0.000 1.114 560 N CA 0.183 52.967 53.050 -0.443 0.000 0.859 560 N CB 0.203 38.237 38.487 -0.755 0.000 0.982 560 N HN 0.212 nan 8.380 nan 0.000 0.493 561 Y N -0.208 120.173 120.300 0.135 0.000 2.641 561 Y HA 0.407 4.956 4.550 -0.001 0.000 0.248 561 Y C -0.175 175.820 175.900 0.158 0.000 1.170 561 Y CA -0.447 57.739 58.100 0.143 0.000 1.201 561 Y CB 0.392 38.903 38.460 0.084 0.000 1.232 561 Y HN -0.244 nan 8.280 nan 0.000 0.537 562 V N 1.887 121.955 119.914 0.256 0.000 3.007 562 V HA 0.503 4.623 4.120 -0.001 0.000 0.311 562 V C -2.233 173.993 176.094 0.220 0.000 1.120 562 V CA -1.960 60.478 62.300 0.231 0.000 0.980 562 V CB 3.013 34.961 31.823 0.208 0.000 1.033 562 V HN -0.125 nan 8.190 nan 0.000 0.429 563 P HA 0.319 nan 4.420 nan 0.000 0.279 563 P C -1.114 176.259 177.300 0.122 0.000 1.276 563 P CA -0.490 62.703 63.100 0.156 0.000 0.801 563 P CB 1.003 32.784 31.700 0.135 0.000 1.127 564 N N -0.503 118.247 118.700 0.085 0.000 2.671 564 N HA 0.101 4.840 4.740 -0.001 0.000 0.303 564 N C 1.073 176.604 175.510 0.035 0.000 1.277 564 N CA -0.786 52.296 53.050 0.054 0.000 0.933 564 N CB 0.410 38.915 38.487 0.031 0.000 1.190 564 N HN 0.258 nan 8.380 nan 0.000 0.600 565 N N 0.535 119.245 118.700 0.016 0.000 2.348 565 N HA -0.164 4.575 4.740 -0.001 0.000 0.185 565 N C 1.148 176.663 175.510 0.008 0.000 1.019 565 N CA 1.268 54.324 53.050 0.009 0.000 0.880 565 N CB -0.422 38.064 38.487 -0.001 0.000 0.965 565 N HN 0.649 nan 8.380 nan 0.000 0.437 566 I N -0.934 119.641 120.570 0.009 0.000 3.783 566 I HA 0.153 4.322 4.170 -0.001 0.000 0.310 566 I C 1.165 177.290 176.117 0.013 0.000 1.274 566 I CA 0.493 61.797 61.300 0.006 0.000 1.294 566 I CB -0.055 37.946 38.000 0.001 0.000 1.051 566 I HN 0.317 nan 8.210 nan 0.000 0.435 567 G N 1.777 110.592 108.800 0.025 0.000 2.131 567 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.223 567 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.223 567 G C 0.377 175.303 174.900 0.044 0.000 0.990 567 G CA -0.020 45.104 45.100 0.040 0.000 0.671 567 G HN 0.507 nan 8.290 nan 0.000 0.521 568 A N -0.050 122.789 122.820 0.031 0.000 2.386 568 A HA 0.820 5.140 4.320 -0.001 0.000 0.248 568 A C 0.519 178.130 177.584 0.045 0.000 1.082 568 A CA 0.607 52.655 52.037 0.018 0.000 0.789 568 A CB 0.431 19.442 19.000 0.018 0.000 1.025 568 A HN 0.583 nan 8.150 nan 0.000 0.490 569 M N 0.413 120.022 119.600 0.015 0.000 2.664 569 M HA 0.529 5.008 4.480 -0.001 0.000 0.279 569 M C -0.828 175.551 176.300 0.132 0.000 1.275 569 M CA -0.426 54.920 55.300 0.076 0.000 0.829 569 M CB 2.471 35.069 32.600 -0.003 0.000 1.727 569 M HN 0.955 nan 8.290 nan 0.000 0.459 570 K N 0.249 120.809 120.400 0.268 0.000 2.610 570 K HA 0.664 4.983 4.320 -0.001 0.000 0.278 570 K C -2.069 174.729 176.600 0.330 0.000 0.964 570 K CA -0.737 55.738 56.287 0.314 0.000 0.859 570 K CB 1.528 34.152 32.500 0.207 0.000 1.434 570 K HN 0.628 nan 8.250 nan 0.000 0.410 571 I N 2.737 123.485 120.570 0.297 0.000 2.382 571 I HA 0.236 4.405 4.170 -0.001 0.000 0.285 571 I C -0.479 175.737 176.117 0.165 0.000 1.007 571 I CA -1.310 60.126 61.300 0.227 0.000 1.142 571 I CB 1.887 39.968 38.000 0.136 0.000 1.289 571 I HN 0.350 nan 8.210 nan 0.000 0.453 572 V N 6.366 126.375 119.914 0.159 0.000 2.649 572 V HA 0.059 4.178 4.120 -0.001 0.000 0.292 572 V C -0.093 176.032 176.094 0.050 0.000 1.055 572 V CA -0.450 61.914 62.300 0.107 0.000 1.023 572 V CB 0.712 32.559 31.823 0.040 0.000 0.992 572 V HN 0.580 nan 8.190 nan 0.000 0.480 573 Y N 2.853 122.997 120.300 -0.259 0.000 2.426 573 Y HA 0.566 5.115 4.550 -0.001 0.000 0.344 573 Y C -0.070 175.753 175.900 -0.127 0.000 1.256 573 Y CA -0.593 57.250 58.100 -0.427 0.000 1.451 573 Y CB 0.453 38.112 38.460 -1.336 0.000 1.342 573 Y HN 0.675 nan 8.280 nan 0.000 0.600 574 E N 1.628 121.689 120.200 -0.232 0.000 2.356 574 E HA 0.330 4.679 4.350 -0.001 0.000 0.275 574 E C -1.288 175.411 176.600 0.165 0.000 0.904 574 E CA -1.186 55.101 56.400 -0.188 0.000 0.757 574 E CB 1.246 30.980 29.700 0.056 0.000 1.232 574 E HN 0.449 nan 8.360 nan 0.000 0.442 575 K N 0.776 121.247 120.400 0.119 0.000 2.355 575 K HA 0.117 4.436 4.320 -0.001 0.000 0.270 575 K C 0.634 177.439 176.600 0.342 0.000 1.003 575 K CA 0.246 56.717 56.287 0.307 0.000 0.957 575 K CB 1.156 33.709 32.500 0.088 0.000 0.939 575 K HN 0.662 nan 8.250 nan 0.000 0.482 576 S N 1.339 117.269 115.700 0.383 0.000 2.599 576 S HA -0.007 4.462 4.470 -0.001 0.000 0.236 576 S C 0.555 175.206 174.600 0.086 0.000 1.077 576 S CA -0.266 58.074 58.200 0.233 0.000 0.906 576 S CB 0.199 63.557 63.200 0.263 0.000 0.804 576 S HN 0.575 nan 8.310 nan 0.000 0.497 577 Q N 3.125 123.018 119.800 0.155 0.000 2.735 577 Q HA 0.378 4.718 4.340 -0.001 0.000 0.380 577 Q C -0.371 175.762 176.000 0.222 0.000 1.060 577 Q CA -0.304 55.581 55.803 0.138 0.000 1.025 577 Q CB 0.423 29.264 28.738 0.172 0.000 1.350 577 Q HN 0.634 nan 8.270 nan 0.000 0.424 578 L N -1.381 119.929 121.223 0.146 0.000 2.401 578 L HA 0.762 5.101 4.340 -0.001 0.000 0.283 578 L C -0.413 176.562 176.870 0.175 0.000 1.151 578 L CA -0.233 54.716 54.840 0.182 0.000 0.942 578 L CB -0.495 41.607 42.059 0.072 0.000 1.283 578 L HN 0.179 nan 8.230 nan 0.000 0.442 579 A N 4.745 127.730 122.820 0.274 0.000 1.853 579 A HA 0.452 4.771 4.320 -0.001 0.000 0.260 579 A C -2.967 174.438 177.584 -0.300 0.000 0.973 579 A CA -0.774 51.285 52.037 0.036 0.000 0.811 579 A CB 0.383 19.386 19.000 0.005 0.000 0.795 579 A HN 0.576 nan 8.150 nan 0.000 0.331 580 P HA 0.398 nan 4.420 nan 0.000 0.269 580 P C -0.442 176.733 177.300 -0.209 0.000 1.215 580 P CA 0.079 62.870 63.100 -0.515 0.000 0.780 580 P CB 0.829 32.517 31.700 -0.019 0.000 0.898 581 R N 1.173 121.577 120.500 -0.160 0.000 2.621 581 R HA 0.362 4.701 4.340 -0.001 0.000 0.284 581 R C -0.577 175.662 176.300 -0.101 0.000 0.998 581 R CA -1.048 54.984 56.100 -0.112 0.000 0.895 581 R CB 1.529 31.764 30.300 -0.108 0.000 1.195 581 R HN 0.316 nan 8.270 nan 0.000 0.450 582 K N 4.493 124.834 120.400 -0.098 0.000 2.412 582 K HA 0.020 4.340 4.320 -0.001 0.000 0.284 582 K C 0.232 176.758 176.600 -0.124 0.000 1.046 582 K CA -0.128 56.089 56.287 -0.116 0.000 0.999 582 K CB 0.766 33.216 32.500 -0.084 0.000 0.941 582 K HN 0.774 nan 8.250 nan 0.000 0.474 583 L N 5.042 126.165 121.223 -0.166 0.000 2.249 583 L HA 0.125 4.465 4.340 -0.001 0.000 0.207 583 L C -0.290 176.598 176.870 0.031 0.000 1.090 583 L CA 0.510 55.296 54.840 -0.091 0.000 0.802 583 L CB 0.164 42.137 42.059 -0.143 0.000 0.947 583 L HN 0.813 nan 8.230 nan 0.000 0.453 584 Y N 0.000 120.204 120.300 -0.160 0.000 2.660 584 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 584 Y CA 0.000 58.035 58.100 -0.109 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