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 1fpv_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 IAAGRGGAQT DENQAADGDP 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 3.960 3.960 -0.001 0.000 0.244 37 G C 0.000 174.923 174.900 0.038 0.000 0.946 37 G CA 0.000 45.119 45.100 0.032 0.000 0.502 38 V N 2.930 122.867 119.914 0.039 0.000 3.467 38 V HA 0.276 4.395 4.120 -0.001 0.000 0.275 38 V C 1.824 177.947 176.094 0.048 0.000 1.230 38 V CA 2.646 64.975 62.300 0.047 0.000 1.196 38 V CB -0.610 31.239 31.823 0.042 0.000 0.884 38 V HN 0.743 nan 8.190 nan 0.000 0.548 39 G N -0.145 108.680 108.800 0.042 0.000 2.510 39 G HA2 0.216 4.175 3.960 -0.001 0.000 0.212 39 G HA3 0.216 4.175 3.960 -0.001 0.000 0.212 39 G C 0.475 175.401 174.900 0.043 0.000 1.151 39 G CA -0.026 45.097 45.100 0.039 0.000 0.817 39 G HN 0.525 nan 8.290 nan 0.000 0.534 40 I N 0.747 121.341 120.570 0.041 0.000 2.577 40 I HA 0.332 4.501 4.170 -0.001 0.000 0.305 40 I C 0.315 176.459 176.117 0.046 0.000 0.986 40 I CA -0.466 60.854 61.300 0.034 0.000 1.189 40 I CB 2.233 40.246 38.000 0.022 0.000 1.355 40 I HN -0.124 nan 8.210 nan 0.000 0.476 41 S N 1.518 117.238 115.700 0.034 0.000 2.585 41 S HA 0.182 4.652 4.470 -0.001 0.000 0.273 41 S C 0.884 175.497 174.600 0.022 0.000 1.339 41 S CA -0.280 57.944 58.200 0.039 0.000 1.028 41 S CB 0.741 63.942 63.200 0.001 0.000 0.906 41 S HN 0.775 nan 8.310 nan 0.000 0.528 42 T N 0.389 114.971 114.554 0.047 0.000 2.978 42 T HA 0.407 4.756 4.350 -0.001 0.000 0.248 42 T C 0.689 175.329 174.700 -0.100 0.000 1.018 42 T CA 0.095 62.216 62.100 0.035 0.000 1.026 42 T CB 0.374 69.329 68.868 0.144 0.000 1.032 42 T HN 0.676 nan 8.240 nan 0.000 0.485 43 G N 0.182 108.812 108.800 -0.285 0.000 2.827 43 G HA2 0.606 4.566 3.960 -0.001 0.000 0.296 43 G HA3 0.606 4.566 3.960 -0.001 0.000 0.296 43 G C -1.581 172.803 174.900 -0.860 0.000 1.362 43 G CA -0.516 44.062 45.100 -0.870 0.000 0.809 43 G HN 0.069 nan 8.290 nan 0.000 0.522 44 T N -0.284 113.656 114.554 -1.024 0.000 2.906 44 T HA 0.559 4.908 4.350 -0.001 0.000 0.295 44 T C -1.740 172.761 174.700 -0.332 0.000 1.075 44 T CA -0.260 61.541 62.100 -0.498 0.000 1.005 44 T CB 1.925 70.632 68.868 -0.269 0.000 1.136 44 T HN 0.399 nan 8.240 nan 0.000 0.498 45 F N 3.146 122.995 119.950 -0.168 0.000 2.420 45 F HA 0.662 5.189 4.527 -0.001 0.000 0.342 45 F C 0.000 175.806 175.800 0.010 0.000 1.113 45 F CA -1.211 56.799 58.000 0.017 0.000 1.059 45 F CB 0.713 39.691 39.000 -0.037 0.000 1.128 45 F HN 0.396 nan 8.300 nan 0.000 0.475 46 N N 5.100 124.034 118.700 0.390 0.000 2.616 46 N HA 0.112 4.852 4.740 -0.001 0.000 0.281 46 N C -1.995 173.660 175.510 0.241 0.000 1.145 46 N CA -0.108 53.131 53.050 0.315 0.000 0.919 46 N CB 1.012 39.564 38.487 0.109 0.000 1.509 46 N HN 0.785 nan 8.380 nan 0.000 0.537 47 N N 2.827 121.763 118.700 0.393 0.000 2.679 47 N HA 0.121 4.861 4.740 -0.001 0.000 0.302 47 N C -1.195 174.471 175.510 0.261 0.000 1.941 47 N CA -0.055 53.187 53.050 0.321 0.000 0.875 47 N CB 0.949 39.729 38.487 0.488 0.000 1.278 47 N HN 0.592 nan 8.380 nan 0.000 0.490 48 Q N -0.031 119.892 119.800 0.204 0.000 2.274 48 Q HA 0.388 4.728 4.340 -0.001 0.000 0.260 48 Q C -0.902 175.191 176.000 0.154 0.000 0.974 48 Q CA -0.389 55.519 55.803 0.175 0.000 0.876 48 Q CB 1.695 30.518 28.738 0.141 0.000 1.297 48 Q HN 0.075 nan 8.270 nan 0.000 0.446 49 T N 3.296 117.960 114.554 0.183 0.000 2.821 49 T HA 0.288 4.638 4.350 -0.001 0.000 0.307 49 T C -1.030 173.813 174.700 0.237 0.000 1.034 49 T CA -0.524 61.684 62.100 0.180 0.000 0.953 49 T CB 0.594 69.643 68.868 0.301 0.000 0.968 49 T HN 0.463 nan 8.240 nan 0.000 0.462 50 E N 2.283 122.531 120.200 0.080 0.000 2.156 50 E HA 0.426 4.776 4.350 -0.001 0.000 0.279 50 E C -1.038 175.518 176.600 -0.074 0.000 0.965 50 E CA -0.560 55.897 56.400 0.095 0.000 0.789 50 E CB 1.105 30.823 29.700 0.030 0.000 1.098 50 E HN 0.419 nan 8.360 nan 0.000 0.397 51 F N 2.707 122.625 119.950 -0.053 0.000 2.403 51 F HA 0.269 4.795 4.527 -0.001 0.000 0.355 51 F C 0.261 175.828 175.800 -0.388 0.000 1.119 51 F CA -0.803 57.058 58.000 -0.232 0.000 1.007 51 F CB 1.294 40.131 39.000 -0.273 0.000 1.194 51 F HN 0.188 nan 8.300 nan 0.000 0.443 52 K N 5.528 125.777 120.400 -0.252 0.000 2.521 52 K HA 0.402 4.721 4.320 -0.001 0.000 0.248 52 K C -1.297 175.196 176.600 -0.179 0.000 0.978 52 K CA -0.483 55.703 56.287 -0.168 0.000 0.947 52 K CB 0.372 32.850 32.500 -0.036 0.000 1.165 52 K HN 0.337 nan 8.250 nan 0.000 0.445 53 F N 4.334 124.366 119.950 0.136 0.000 2.578 53 F HA 0.015 4.541 4.527 -0.001 0.000 0.381 53 F C 0.665 176.528 175.800 0.105 0.000 1.069 53 F CA -0.324 57.748 58.000 0.121 0.000 1.231 53 F CB 0.072 39.128 39.000 0.094 0.000 1.086 53 F HN 0.353 nan 8.300 nan 0.000 0.564 54 L N 1.916 123.298 121.223 0.265 0.000 2.935 54 L HA 0.430 4.769 4.340 -0.001 0.000 0.214 54 L C 0.401 177.391 176.870 0.200 0.000 1.574 54 L CA -0.806 54.153 54.840 0.197 0.000 1.628 54 L CB 0.099 42.269 42.059 0.185 0.000 2.455 54 L HN 0.375 nan 8.230 nan 0.000 0.578 55 E N 0.660 120.967 120.200 0.178 0.000 2.214 55 E HA 0.264 4.613 4.350 -0.001 0.000 0.274 55 E C -0.682 176.054 176.600 0.227 0.000 0.977 55 E CA -0.400 56.096 56.400 0.161 0.000 0.827 55 E CB 0.846 30.611 29.700 0.109 0.000 1.130 55 E HN 0.438 nan 8.360 nan 0.000 0.394 56 N N 0.781 119.584 118.700 0.171 0.000 2.780 56 N HA -0.166 4.574 4.740 -0.001 0.000 0.248 56 N C 0.372 175.973 175.510 0.151 0.000 1.102 56 N CA 1.107 54.266 53.050 0.181 0.000 0.697 56 N CB -1.644 36.992 38.487 0.249 0.000 1.028 56 N HN 0.886 nan 8.380 nan 0.000 0.554 57 G N -1.356 107.496 108.800 0.088 0.000 2.333 57 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.296 57 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.296 57 G C -0.361 174.419 174.900 -0.200 0.000 1.059 57 G CA 0.335 45.414 45.100 -0.034 0.000 1.050 57 G HN 0.451 nan 8.290 nan 0.000 0.508 58 W N -0.663 120.701 121.300 0.106 0.000 2.683 58 W HA 0.608 5.267 4.660 -0.001 0.000 0.329 58 W C 0.320 176.897 176.519 0.098 0.000 1.037 58 W CA -1.001 56.388 57.345 0.074 0.000 1.232 58 W CB 2.026 31.499 29.460 0.022 0.000 1.390 58 W HN 0.555 nan 8.180 nan 0.000 0.465 59 V N -0.201 119.894 119.914 0.302 0.000 2.769 59 V HA 0.595 4.715 4.120 -0.001 0.000 0.312 59 V C -0.594 175.566 176.094 0.109 0.000 1.058 59 V CA -1.206 61.165 62.300 0.120 0.000 0.952 59 V CB 1.943 33.770 31.823 0.006 0.000 1.019 59 V HN 0.617 nan 8.190 nan 0.000 0.445 60 E N 2.591 122.784 120.200 -0.012 0.000 2.331 60 E HA 0.484 4.833 4.350 -0.001 0.000 0.243 60 E C -1.295 175.244 176.600 -0.101 0.000 0.925 60 E CA -0.622 55.772 56.400 -0.010 0.000 0.760 60 E CB 1.251 30.949 29.700 -0.003 0.000 1.254 60 E HN 0.776 nan 8.360 nan 0.000 0.419 61 I N 2.793 123.301 120.570 -0.103 0.000 2.428 61 I HA 0.208 4.377 4.170 -0.001 0.000 0.289 61 I C 0.004 176.067 176.117 -0.089 0.000 1.019 61 I CA -0.038 61.107 61.300 -0.259 0.000 1.351 61 I CB 1.712 39.552 38.000 -0.267 0.000 1.412 61 I HN 0.329 nan 8.210 nan 0.000 0.513 62 T N 5.483 119.945 114.554 -0.154 0.000 3.008 62 T HA 0.551 4.900 4.350 -0.001 0.000 0.328 62 T C -0.343 174.310 174.700 -0.079 0.000 1.020 62 T CA -0.548 61.498 62.100 -0.091 0.000 1.043 62 T CB 1.130 69.945 68.868 -0.088 0.000 1.010 62 T HN 0.657 nan 8.240 nan 0.000 0.466 63 A N 3.942 126.732 122.820 -0.051 0.000 2.301 63 A HA 0.721 5.040 4.320 -0.001 0.000 0.298 63 A C -0.073 177.617 177.584 0.176 0.000 1.185 63 A CA -0.699 51.331 52.037 -0.011 0.000 0.830 63 A CB 0.176 19.085 19.000 -0.152 0.000 1.112 63 A HN 0.837 nan 8.150 nan 0.000 0.508 64 N N 0.817 119.635 118.700 0.197 0.000 2.354 64 N HA 0.514 5.254 4.740 -0.001 0.000 0.287 64 N C -1.149 174.473 175.510 0.186 0.000 1.016 64 N CA -0.258 52.910 53.050 0.197 0.000 0.871 64 N CB 1.970 40.506 38.487 0.081 0.000 1.299 64 N HN 0.398 nan 8.380 nan 0.000 0.482 65 S N 1.003 116.770 115.700 0.112 0.000 2.664 65 S HA 0.259 4.729 4.470 -0.001 0.000 0.262 65 S C -0.953 173.563 174.600 -0.140 0.000 1.229 65 S CA -0.763 57.426 58.200 -0.018 0.000 1.151 65 S CB 0.104 63.193 63.200 -0.184 0.000 1.054 65 S HN 0.547 nan 8.310 nan 0.000 0.483 66 S N 3.937 119.502 115.700 -0.225 0.000 2.543 66 S HA 0.521 4.990 4.470 -0.001 0.000 0.299 66 S C -0.146 174.227 174.600 -0.377 0.000 1.125 66 S CA -0.842 57.108 58.200 -0.417 0.000 1.098 66 S CB 0.646 63.411 63.200 -0.725 0.000 1.063 66 S HN 0.610 nan 8.310 nan 0.000 0.493 67 R N 1.480 122.031 120.500 0.084 0.000 2.604 67 R HA 0.561 4.900 4.340 -0.001 0.000 0.287 67 R C -0.782 175.553 176.300 0.057 0.000 0.970 67 R CA -0.894 55.275 56.100 0.115 0.000 0.946 67 R CB 1.103 31.459 30.300 0.094 0.000 1.127 67 R HN 0.701 nan 8.270 nan 0.000 0.473 68 L N 3.698 124.822 121.223 -0.165 0.000 2.255 68 L HA 0.403 4.742 4.340 -0.001 0.000 0.289 68 L C -1.195 175.337 176.870 -0.562 0.000 1.046 68 L CA -0.333 54.090 54.840 -0.695 0.000 0.816 68 L CB 1.245 42.340 42.059 -1.606 0.000 1.197 68 L HN 0.280 nan 8.230 nan 0.000 0.427 69 V N 5.189 124.706 119.914 -0.661 0.000 2.539 69 V HA 0.364 4.483 4.120 -0.001 0.000 0.292 69 V C -0.161 175.488 176.094 -0.742 0.000 1.045 69 V CA -0.529 61.346 62.300 -0.709 0.000 0.945 69 V CB 1.289 32.545 31.823 -0.946 0.000 0.993 69 V HN 0.775 nan 8.190 nan 0.000 0.464 70 H N 4.885 123.653 119.070 -0.503 0.000 2.529 70 H HA 0.744 5.299 4.556 -0.001 0.000 0.348 70 H C -1.539 173.679 175.328 -0.183 0.000 1.152 70 H CA -0.750 55.115 56.048 -0.305 0.000 1.202 70 H CB 2.054 31.678 29.762 -0.229 0.000 1.562 70 H HN 0.504 nan 8.280 nan 0.000 0.515 71 L N 3.738 124.640 121.223 -0.536 0.000 2.565 71 L HA 0.362 4.701 4.340 -0.001 0.000 0.261 71 L C -1.617 175.114 176.870 -0.232 0.000 0.932 71 L CA -0.400 54.312 54.840 -0.213 0.000 0.878 71 L CB 1.921 44.006 42.059 0.044 0.000 1.333 71 L HN 0.687 nan 8.230 nan 0.000 0.409 72 N N 3.125 121.772 118.700 -0.089 0.000 2.478 72 N HA 0.603 5.342 4.740 -0.001 0.000 0.275 72 N C -0.748 174.772 175.510 0.017 0.000 1.221 72 N CA -0.816 52.234 53.050 -0.001 0.000 0.979 72 N CB 1.187 39.690 38.487 0.027 0.000 1.202 72 N HN 0.714 nan 8.380 nan 0.000 0.564 73 M N 2.040 121.662 119.600 0.036 0.000 2.217 73 M HA 0.218 4.697 4.480 -0.001 0.000 0.352 73 M C -2.163 174.125 176.300 -0.021 0.000 1.376 73 M CA -1.359 53.941 55.300 0.001 0.000 1.107 73 M CB 0.626 33.234 32.600 0.015 0.000 1.723 73 M HN 0.316 nan 8.290 nan 0.000 0.461 74 P HA -0.012 nan 4.420 nan 0.000 0.267 74 P C -0.186 177.080 177.300 -0.056 0.000 1.205 74 P CA 0.109 63.168 63.100 -0.069 0.000 0.765 74 P CB 0.347 31.969 31.700 -0.129 0.000 0.828 75 E N 1.649 121.824 120.200 -0.043 0.000 2.058 75 E HA -0.133 4.216 4.350 -0.001 0.000 0.194 75 E C 0.201 176.779 176.600 -0.037 0.000 0.997 75 E CA 0.802 57.182 56.400 -0.032 0.000 0.801 75 E CB -0.110 29.572 29.700 -0.029 0.000 0.746 75 E HN 0.296 nan 8.360 nan 0.000 0.450 76 S N -0.275 115.394 115.700 -0.053 0.000 2.501 76 S HA 0.149 4.619 4.470 -0.001 0.000 0.301 76 S C -0.060 174.494 174.600 -0.077 0.000 1.096 76 S CA -0.782 57.389 58.200 -0.049 0.000 1.063 76 S CB 1.566 64.739 63.200 -0.046 0.000 1.042 76 S HN 0.228 nan 8.310 nan 0.000 0.494 77 E N 2.741 122.911 120.200 -0.049 0.000 2.465 77 E HA 0.184 4.534 4.350 -0.001 0.000 0.195 77 E C -0.609 175.993 176.600 0.004 0.000 1.028 77 E CA 0.017 56.380 56.400 -0.061 0.000 0.899 77 E CB 0.091 29.773 29.700 -0.030 0.000 1.032 77 E HN 0.483 nan 8.360 nan 0.000 0.468 78 N N -0.260 118.448 118.700 0.013 0.000 2.335 78 N HA 0.246 4.986 4.740 -0.001 0.000 0.304 78 N C -1.248 174.310 175.510 0.079 0.000 1.135 78 N CA -0.539 52.582 53.050 0.118 0.000 0.817 78 N CB 1.159 39.705 38.487 0.098 0.000 1.294 78 N HN -0.135 nan 8.380 nan 0.000 0.497 79 Y N 1.041 121.413 120.300 0.120 0.000 2.309 79 Y HA 0.338 4.887 4.550 -0.001 0.000 0.327 79 Y C 0.436 176.347 175.900 0.018 0.000 1.172 79 Y CA 0.199 58.379 58.100 0.134 0.000 1.280 79 Y CB 0.886 39.534 38.460 0.313 0.000 1.234 79 Y HN 0.247 nan 8.280 nan 0.000 0.512 80 K N 1.643 122.080 120.400 0.062 0.000 2.350 80 K HA 0.591 4.911 4.320 -0.001 0.000 0.241 80 K C -0.904 175.605 176.600 -0.152 0.000 0.994 80 K CA -1.136 55.116 56.287 -0.059 0.000 0.839 80 K CB 1.802 34.253 32.500 -0.081 0.000 1.244 80 K HN 0.491 nan 8.250 nan 0.000 0.443 81 R N 2.108 122.481 120.500 -0.212 0.000 2.545 81 R HA 0.320 4.660 4.340 -0.001 0.000 0.289 81 R C -1.747 174.399 176.300 -0.257 0.000 1.327 81 R CA -0.378 55.533 56.100 -0.315 0.000 1.040 81 R CB 1.048 31.078 30.300 -0.450 0.000 1.176 81 R HN 0.326 nan 8.270 nan 0.000 0.518 82 V N 4.163 123.940 119.914 -0.228 0.000 2.513 82 V HA 0.482 4.602 4.120 -0.001 0.000 0.299 82 V C 0.007 175.956 176.094 -0.241 0.000 1.035 82 V CA -0.819 61.354 62.300 -0.212 0.000 0.889 82 V CB 2.087 33.799 31.823 -0.184 0.000 0.988 82 V HN 0.317 nan 8.190 nan 0.000 0.440 83 V N 4.549 124.301 119.914 -0.270 0.000 2.483 83 V HA 0.502 4.622 4.120 -0.001 0.000 0.295 83 V C -0.295 175.554 176.094 -0.410 0.000 1.035 83 V CA -0.565 61.529 62.300 -0.343 0.000 0.896 83 V CB 2.068 33.644 31.823 -0.412 0.000 0.986 83 V HN 0.609 nan 8.190 nan 0.000 0.447 84 V N 4.579 124.180 119.914 -0.522 0.000 2.350 84 V HA 0.406 4.525 4.120 -0.001 0.000 0.285 84 V C -0.194 175.685 176.094 -0.358 0.000 1.014 84 V CA -0.571 61.453 62.300 -0.460 0.000 0.831 84 V CB 1.336 32.771 31.823 -0.647 0.000 1.000 84 V HN 0.934 nan 8.190 nan 0.000 0.433 85 N N 3.502 122.037 118.700 -0.276 0.000 2.362 85 N HA 0.515 5.254 4.740 -0.001 0.000 0.298 85 N C -0.174 175.252 175.510 -0.141 0.000 1.048 85 N CA -0.504 52.423 53.050 -0.206 0.000 0.858 85 N CB 1.234 39.590 38.487 -0.219 0.000 1.218 85 N HN 0.779 nan 8.380 nan 0.000 0.488 86 N N 3.445 122.084 118.700 -0.102 0.000 2.628 86 N HA 0.051 4.790 4.740 -0.001 0.000 0.299 86 N C -0.650 174.826 175.510 -0.057 0.000 1.834 86 N CA -0.167 52.839 53.050 -0.073 0.000 0.871 86 N CB -0.020 38.432 38.487 -0.057 0.000 1.377 86 N HN 0.553 nan 8.380 nan 0.000 0.493 87 M N 0.930 120.492 119.600 -0.063 0.000 2.766 87 M HA -0.021 4.458 4.480 -0.001 0.000 0.208 87 M C -0.138 176.134 176.300 -0.046 0.000 1.152 87 M CA 0.736 56.006 55.300 -0.050 0.000 1.013 87 M CB -0.090 32.477 32.600 -0.055 0.000 1.813 87 M HN 0.245 nan 8.290 nan 0.000 0.478 88 D N -1.821 118.551 120.400 -0.046 0.000 2.527 88 D HA 0.051 4.690 4.640 -0.001 0.000 0.224 88 D C 1.024 177.301 176.300 -0.038 0.000 1.217 88 D CA -0.018 53.957 54.000 -0.042 0.000 0.819 88 D CB 0.245 41.019 40.800 -0.044 0.000 1.061 88 D HN 0.069 nan 8.370 nan 0.000 0.515 89 K N -0.148 120.229 120.400 -0.038 0.000 2.474 89 K HA 0.106 4.425 4.320 -0.001 0.000 0.204 89 K C 0.891 177.469 176.600 -0.038 0.000 1.220 89 K CA 0.896 57.160 56.287 -0.037 0.000 0.966 89 K CB 1.066 33.544 32.500 -0.035 0.000 1.049 89 K HN 0.242 nan 8.250 nan 0.000 0.554 90 T N -1.867 112.666 114.554 -0.036 0.000 3.264 90 T HA 0.462 4.812 4.350 -0.001 0.000 0.257 90 T C 0.971 175.650 174.700 -0.035 0.000 0.976 90 T CA 0.086 62.166 62.100 -0.034 0.000 0.908 90 T CB 0.509 69.363 68.868 -0.023 0.000 1.082 90 T HN 0.005 nan 8.240 nan 0.000 0.567 91 A N 0.330 123.127 122.820 -0.038 0.000 2.242 91 A HA 0.476 4.796 4.320 -0.001 0.000 0.205 91 A C 1.647 179.206 177.584 -0.040 0.000 1.353 91 A CA 0.074 52.088 52.037 -0.038 0.000 1.005 91 A CB 0.176 19.155 19.000 -0.035 0.000 1.127 91 A HN 0.383 nan 8.150 nan 0.000 0.498 92 V N 0.947 120.837 119.914 -0.040 0.000 3.330 92 V HA -0.122 3.998 4.120 -0.001 0.000 0.273 92 V C 0.910 176.978 176.094 -0.043 0.000 1.179 92 V CA 1.465 63.742 62.300 -0.038 0.000 1.174 92 V CB -1.588 30.214 31.823 -0.035 0.000 0.794 92 V HN 0.639 nan 8.190 nan 0.000 0.527 93 K N -0.287 120.081 120.400 -0.053 0.000 3.020 93 K HA -0.251 4.068 4.320 -0.001 0.000 0.266 93 K C 1.133 177.696 176.600 -0.061 0.000 1.067 93 K CA 0.574 56.819 56.287 -0.070 0.000 0.780 93 K CB -1.544 30.905 32.500 -0.086 0.000 1.220 93 K HN 0.700 nan 8.250 nan 0.000 0.483 94 G N -0.586 108.184 108.800 -0.050 0.000 2.371 94 G HA2 0.001 3.960 3.960 -0.001 0.000 0.177 94 G HA3 0.001 3.960 3.960 -0.001 0.000 0.177 94 G C -0.197 174.666 174.900 -0.062 0.000 1.427 94 G CA -0.429 44.648 45.100 -0.039 0.000 0.739 94 G HN 0.105 nan 8.290 nan 0.000 1.033 95 N N 1.397 120.059 118.700 -0.064 0.000 2.462 95 N HA 0.505 5.245 4.740 -0.001 0.000 0.242 95 N C 0.498 175.956 175.510 -0.086 0.000 1.010 95 N CA 0.026 53.030 53.050 -0.076 0.000 0.939 95 N CB 1.463 39.916 38.487 -0.056 0.000 1.127 95 N HN 0.248 nan 8.380 nan 0.000 0.509 96 M N -0.415 119.106 119.600 -0.130 0.000 2.198 96 M HA 0.280 4.760 4.480 -0.001 0.000 0.326 96 M C 1.156 177.360 176.300 -0.159 0.000 0.924 96 M CA -0.023 55.197 55.300 -0.133 0.000 1.118 96 M CB 0.622 33.126 32.600 -0.161 0.000 1.947 96 M HN 0.368 nan 8.290 nan 0.000 0.662 97 A N 0.708 123.384 122.820 -0.240 0.000 2.275 97 A HA 0.405 4.724 4.320 -0.001 0.000 0.212 97 A C 1.428 178.998 177.584 -0.023 0.000 1.201 97 A CA 0.176 52.096 52.037 -0.195 0.000 0.843 97 A CB -0.262 18.482 19.000 -0.428 0.000 0.873 97 A HN 0.438 nan 8.150 nan 0.000 0.492 98 L N -0.030 121.168 121.223 -0.042 0.000 2.791 98 L HA 0.161 4.500 4.340 -0.001 0.000 0.239 98 L C -0.152 176.718 176.870 0.001 0.000 1.203 98 L CA -0.297 54.532 54.840 -0.017 0.000 1.002 98 L CB 0.128 42.166 42.059 -0.036 0.000 1.295 98 L HN 0.120 nan 8.230 nan 0.000 0.504 99 D N 1.000 121.415 120.400 0.025 0.000 2.367 99 D HA -0.008 4.632 4.640 -0.001 0.000 0.255 99 D C 0.159 176.489 176.300 0.050 0.000 1.300 99 D CA 0.278 54.302 54.000 0.041 0.000 0.959 99 D CB 0.672 41.520 40.800 0.079 0.000 1.064 99 D HN -0.008 nan 8.370 nan 0.000 0.509 100 D N 3.120 123.533 120.400 0.021 0.000 2.491 100 D HA 0.150 4.790 4.640 -0.001 0.000 0.228 100 D C 0.030 176.349 176.300 0.031 0.000 1.183 100 D CA -0.293 53.730 54.000 0.037 0.000 0.827 100 D CB -0.197 40.615 40.800 0.020 0.000 0.989 100 D HN 0.471 nan 8.370 nan 0.000 0.494 101 I N 1.958 122.504 120.570 -0.041 0.000 2.304 101 I HA 0.193 4.363 4.170 -0.001 0.000 0.291 101 I C -0.492 175.331 176.117 -0.490 0.000 1.018 101 I CA -0.283 60.900 61.300 -0.195 0.000 1.260 101 I CB 0.141 38.084 38.000 -0.096 0.000 1.390 101 I HN 0.105 nan 8.210 nan 0.000 0.475 102 H N 5.605 124.211 119.070 -0.773 0.000 2.928 102 H HA 0.584 5.139 4.556 -0.001 0.000 0.285 102 H C -1.887 173.066 175.328 -0.625 0.000 1.438 102 H CA -0.891 54.260 56.048 -1.496 0.000 1.176 102 H CB 1.678 30.830 29.762 -1.017 0.000 1.864 102 H HN 0.264 nan 8.280 nan 0.000 0.567 103 V N 1.327 121.119 119.914 -0.203 0.000 2.569 103 V HA 0.273 4.392 4.120 -0.001 0.000 0.301 103 V C -0.447 175.851 176.094 0.341 0.000 1.044 103 V CA -0.616 61.765 62.300 0.135 0.000 0.874 103 V CB 1.514 33.597 31.823 0.434 0.000 1.002 103 V HN 0.884 nan 8.190 nan 0.000 0.424 104 E N 5.450 125.702 120.200 0.086 0.000 2.312 104 E HA 0.765 5.115 4.350 -0.001 0.000 0.267 104 E C -1.522 174.972 176.600 -0.178 0.000 0.894 104 E CA -0.958 55.426 56.400 -0.026 0.000 0.773 104 E CB 2.972 32.629 29.700 -0.071 0.000 1.241 104 E HN 0.519 nan 8.360 nan 0.000 0.432 105 I N 2.701 123.072 120.570 -0.330 0.000 2.389 105 I HA 0.248 4.418 4.170 -0.001 0.000 0.288 105 I C -0.622 175.290 176.117 -0.342 0.000 0.999 105 I CA -1.246 59.839 61.300 -0.359 0.000 1.129 105 I CB 1.893 39.636 38.000 -0.428 0.000 1.288 105 I HN 0.433 nan 8.210 nan 0.000 0.444 106 V N 5.033 124.835 119.914 -0.187 0.000 2.607 106 V HA 0.329 4.448 4.120 -0.001 0.000 0.289 106 V C 0.455 176.493 176.094 -0.094 0.000 1.053 106 V CA -0.275 61.943 62.300 -0.136 0.000 0.996 106 V CB 1.660 33.414 31.823 -0.115 0.000 0.995 106 V HN 0.841 nan 8.190 nan 0.000 0.476 107 T N 2.392 116.910 114.554 -0.059 0.000 2.807 107 T HA 0.439 4.788 4.350 -0.001 0.000 0.279 107 T C -2.006 172.609 174.700 -0.143 0.000 0.993 107 T CA -2.144 59.868 62.100 -0.147 0.000 0.970 107 T CB 1.975 71.071 68.868 0.379 0.000 0.950 107 T HN 0.440 nan 8.240 nan 0.000 0.441 108 P HA 0.002 nan 4.420 nan 0.000 0.228 108 P C -0.328 176.833 177.300 -0.231 0.000 1.151 108 P CA 0.402 63.320 63.100 -0.303 0.000 0.770 108 P CB -0.098 31.348 31.700 -0.424 0.000 0.786 109 W N 0.650 121.924 121.300 -0.043 0.000 2.266 109 W HA 0.223 4.882 4.660 -0.001 0.000 0.317 109 W C 0.439 177.032 176.519 0.123 0.000 1.310 109 W CA -0.047 57.317 57.345 0.032 0.000 1.207 109 W CB 0.321 29.770 29.460 -0.017 0.000 1.199 109 W HN -0.245 nan 8.180 nan 0.000 0.544 110 S N 4.557 120.465 115.700 0.347 0.000 2.438 110 S HA 0.410 4.879 4.470 -0.001 0.000 0.293 110 S C -0.330 174.457 174.600 0.312 0.000 1.141 110 S CA -0.789 57.580 58.200 0.281 0.000 1.080 110 S CB 0.517 63.823 63.200 0.176 0.000 0.978 110 S HN 0.433 nan 8.310 nan 0.000 0.479 111 L N 4.235 125.643 121.223 0.308 0.000 2.454 111 L HA 0.692 5.032 4.340 -0.001 0.000 0.256 111 L C -1.139 175.781 176.870 0.082 0.000 1.136 111 L CA -0.429 54.533 54.840 0.202 0.000 0.804 111 L CB 0.917 43.123 42.059 0.246 0.000 1.181 111 L HN 0.374 nan 8.230 nan 0.000 0.469 112 V N 2.017 121.911 119.914 -0.034 0.000 2.567 112 V HA 0.345 4.465 4.120 -0.001 0.000 0.298 112 V C -1.365 174.644 176.094 -0.142 0.000 1.047 112 V CA -0.601 61.640 62.300 -0.099 0.000 0.880 112 V CB 1.620 33.380 31.823 -0.105 0.000 1.009 112 V HN 0.678 nan 8.190 nan 0.000 0.429 113 D N 3.322 123.633 120.400 -0.148 0.000 2.362 113 D HA 0.812 5.451 4.640 -0.001 0.000 0.247 113 D C 0.205 176.394 176.300 -0.186 0.000 1.050 113 D CA -0.067 53.853 54.000 -0.132 0.000 0.839 113 D CB 2.366 43.099 40.800 -0.111 0.000 1.283 113 D HN 0.639 nan 8.370 nan 0.000 0.477 114 A N 3.140 125.900 122.820 -0.099 0.000 2.630 114 A HA 0.112 4.431 4.320 -0.001 0.000 0.287 114 A C 0.464 178.079 177.584 0.051 0.000 1.040 114 A CA -0.422 51.559 52.037 -0.093 0.000 0.971 114 A CB -0.177 18.849 19.000 0.043 0.000 1.241 114 A HN 0.358 nan 8.150 nan 0.000 0.558 115 N N 2.020 120.613 118.700 -0.177 0.000 3.178 115 N HA 0.498 5.238 4.740 -0.001 0.000 0.300 115 N C -0.334 174.950 175.510 -0.378 0.000 1.242 115 N CA 0.874 53.561 53.050 -0.606 0.000 1.192 115 N CB -0.230 37.737 38.487 -0.868 0.000 1.463 115 N HN 0.548 nan 8.380 nan 0.000 0.539 116 A N 0.624 123.342 122.820 -0.170 0.000 2.609 116 A HA 0.494 4.814 4.320 -0.001 0.000 0.291 116 A C -0.195 177.421 177.584 0.052 0.000 1.096 116 A CA -0.812 51.161 52.037 -0.108 0.000 0.684 116 A CB 0.260 19.214 19.000 -0.076 0.000 1.282 116 A HN 0.419 nan 8.150 nan 0.000 0.412 117 W N 0.182 121.563 121.300 0.134 0.000 2.574 117 W HA 0.222 4.881 4.660 -0.001 0.000 0.282 117 W C 2.185 178.765 176.519 0.102 0.000 1.197 117 W CA 1.122 58.639 57.345 0.287 0.000 1.376 117 W CB -0.018 29.503 29.460 0.101 0.000 1.091 117 W HN 0.860 nan 8.180 nan 0.000 0.569 118 G N 0.338 109.051 108.800 -0.145 0.000 2.462 118 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.220 118 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.220 118 G C 1.246 175.407 174.900 -1.232 0.000 1.121 118 G CA 1.323 45.963 45.100 -0.767 0.000 0.758 118 G HN 0.153 nan 8.290 nan 0.000 0.559 119 V N -1.272 117.926 119.914 -1.193 0.000 3.461 119 V HA 0.049 4.169 4.120 -0.001 0.000 0.267 119 V C 1.853 177.568 176.094 -0.633 0.000 1.186 119 V CA 0.856 62.580 62.300 -0.960 0.000 1.154 119 V CB -0.516 30.745 31.823 -0.938 0.000 0.802 119 V HN 0.600 nan 8.190 nan 0.000 0.474 120 W N -2.149 119.146 121.300 -0.008 0.000 3.330 120 W HA 0.359 5.018 4.660 -0.001 0.000 0.243 120 W C 0.756 177.257 176.519 -0.030 0.000 0.954 120 W CA -0.445 56.922 57.345 0.037 0.000 2.074 120 W CB -0.018 29.532 29.460 0.150 0.000 1.096 120 W HN -0.021 nan 8.180 nan 0.000 0.643 121 F N 1.939 122.209 119.950 0.534 0.000 2.380 121 F HA 0.262 4.789 4.527 -0.001 0.000 0.321 121 F C 0.389 176.441 175.800 0.421 0.000 1.103 121 F CA -0.916 57.373 58.000 0.481 0.000 1.067 121 F CB 0.319 39.664 39.000 0.574 0.000 1.265 121 F HN -0.130 nan 8.300 nan 0.000 0.517 122 N N -0.344 118.709 118.700 0.588 0.000 2.402 122 N HA 0.491 5.231 4.740 -0.001 0.000 0.294 122 N C -2.592 173.207 175.510 0.482 0.000 1.203 122 N CA -1.887 51.455 53.050 0.488 0.000 0.838 122 N CB 1.388 40.105 38.487 0.383 0.000 1.306 122 N HN 0.069 nan 8.380 nan 0.000 0.510 123 P HA -0.067 nan 4.420 nan 0.000 0.220 123 P C 1.044 178.482 177.300 0.231 0.000 1.144 123 P CA 1.344 64.688 63.100 0.406 0.000 0.800 123 P CB -0.121 31.919 31.700 0.566 0.000 0.772 124 G N -0.721 108.217 108.800 0.229 0.000 2.494 124 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.216 124 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.216 124 G C 1.166 176.157 174.900 0.152 0.000 1.140 124 G CA 0.299 45.477 45.100 0.131 0.000 0.801 124 G HN 0.160 nan 8.290 nan 0.000 0.536 125 D N -0.335 120.236 120.400 0.285 0.000 2.149 125 D HA -0.070 4.569 4.640 -0.001 0.000 0.206 125 D C 1.879 178.360 176.300 0.300 0.000 0.967 125 D CA 0.083 54.319 54.000 0.393 0.000 0.848 125 D CB -0.363 40.864 40.800 0.712 0.000 0.998 125 D HN 0.373 nan 8.370 nan 0.000 0.474 126 W N 2.278 123.574 121.300 -0.006 0.000 2.318 126 W HA -0.251 4.409 4.660 -0.001 0.000 0.313 126 W C 2.171 178.552 176.519 -0.230 0.000 1.221 126 W CA 1.453 58.597 57.345 -0.334 0.000 1.266 126 W CB -0.082 28.941 29.460 -0.730 0.000 1.150 126 W HN 0.089 nan 8.180 nan 0.000 0.496 127 Q N 0.144 119.924 119.800 -0.034 0.000 2.077 127 Q HA -0.294 4.046 4.340 -0.001 0.000 0.206 127 Q C 2.366 178.264 176.000 -0.169 0.000 0.989 127 Q CA 2.152 57.889 55.803 -0.111 0.000 0.853 127 Q CB -0.590 28.105 28.738 -0.071 0.000 0.907 127 Q HN 0.247 nan 8.270 nan 0.000 0.418 128 L N 0.775 121.918 121.223 -0.134 0.000 2.012 128 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 128 L C 2.070 178.851 176.870 -0.147 0.000 1.073 128 L CA 1.666 56.412 54.840 -0.156 0.000 0.748 128 L CB -0.609 41.295 42.059 -0.259 0.000 0.891 128 L HN 0.323 nan 8.230 nan 0.000 0.431 129 I N -2.027 118.426 120.570 -0.194 0.000 2.090 129 I HA -0.307 3.863 4.170 -0.001 0.000 0.236 129 I C 2.405 178.295 176.117 -0.379 0.000 1.064 129 I CA 1.440 62.570 61.300 -0.283 0.000 1.324 129 I CB -0.590 37.051 38.000 -0.599 0.000 1.044 129 I HN 0.036 nan 8.210 nan 0.000 0.399 130 V N 1.378 120.921 119.914 -0.618 0.000 2.332 130 V HA -0.273 3.847 4.120 -0.001 0.000 0.248 130 V C 2.053 177.994 176.094 -0.257 0.000 1.055 130 V CA 2.046 64.038 62.300 -0.513 0.000 1.038 130 V CB -0.722 30.623 31.823 -0.798 0.000 0.651 130 V HN 0.443 nan 8.190 nan 0.000 0.450 131 N N -0.344 118.237 118.700 -0.198 0.000 2.376 131 N HA -0.063 4.676 4.740 -0.001 0.000 0.177 131 N C 1.818 177.273 175.510 -0.091 0.000 1.024 131 N CA 1.593 54.574 53.050 -0.114 0.000 0.893 131 N CB -0.032 38.397 38.487 -0.097 0.000 0.980 131 N HN 0.686 nan 8.380 nan 0.000 0.439 132 T N -3.036 111.460 114.554 -0.097 0.000 3.010 132 T HA 0.282 4.631 4.350 -0.001 0.000 0.257 132 T C 0.592 175.265 174.700 -0.046 0.000 1.020 132 T CA -0.224 61.839 62.100 -0.061 0.000 0.938 132 T CB 0.358 69.200 68.868 -0.044 0.000 1.049 132 T HN -0.207 nan 8.240 nan 0.000 0.522 133 M N 1.943 121.507 119.600 -0.059 0.000 2.573 133 M HA 0.525 5.004 4.480 -0.001 0.000 0.309 133 M C 1.107 177.374 176.300 -0.055 0.000 1.202 133 M CA -0.495 54.777 55.300 -0.046 0.000 0.975 133 M CB 1.358 33.941 32.600 -0.028 0.000 1.600 133 M HN 0.243 nan 8.290 nan 0.000 0.479 134 S N -1.091 114.580 115.700 -0.048 0.000 2.559 134 S HA 0.195 4.664 4.470 -0.001 0.000 0.226 134 S C 0.065 174.671 174.600 0.010 0.000 1.030 134 S CA -0.255 57.931 58.200 -0.024 0.000 0.956 134 S CB 0.502 63.684 63.200 -0.031 0.000 0.900 134 S HN 0.806 nan 8.310 nan 0.000 0.510 135 E N -0.092 120.132 120.200 0.040 0.000 2.390 135 E HA 0.603 4.953 4.350 -0.001 0.000 0.280 135 E C -2.177 174.567 176.600 0.241 0.000 0.992 135 E CA -1.065 55.412 56.400 0.129 0.000 0.790 135 E CB 1.052 30.863 29.700 0.185 0.000 1.248 135 E HN 0.129 nan 8.360 nan 0.000 0.447 136 L N 2.307 123.704 121.223 0.290 0.000 2.386 136 L HA 0.457 4.797 4.340 -0.001 0.000 0.271 136 L C -1.444 175.732 176.870 0.510 0.000 0.993 136 L CA -0.442 54.664 54.840 0.443 0.000 0.819 136 L CB 1.795 44.095 42.059 0.402 0.000 1.294 136 L HN 0.665 nan 8.230 nan 0.000 0.414 137 H N 5.270 124.585 119.070 0.407 0.000 2.762 137 H HA 0.301 4.857 4.556 -0.001 0.000 0.310 137 H C -0.796 174.596 175.328 0.106 0.000 1.004 137 H CA -1.058 55.164 56.048 0.290 0.000 1.267 137 H CB 2.010 31.908 29.762 0.227 0.000 1.437 137 H HN 0.410 nan 8.280 nan 0.000 0.498 138 L N 3.980 125.113 121.223 -0.150 0.000 2.453 138 L HA -0.026 4.313 4.340 -0.001 0.000 0.272 138 L C 0.000 176.677 176.870 -0.323 0.000 1.182 138 L CA 0.560 55.037 54.840 -0.605 0.000 0.858 138 L CB 0.578 41.754 42.059 -1.473 0.000 1.120 138 L HN 0.435 nan 8.230 nan 0.000 0.474 139 V N 2.104 121.831 119.914 -0.313 0.000 4.535 139 V HA 0.362 4.482 4.120 -0.001 0.000 0.173 139 V C 0.522 176.660 176.094 0.074 0.000 1.036 139 V CA 0.103 62.378 62.300 -0.042 0.000 1.412 139 V CB 0.817 32.602 31.823 -0.063 0.000 1.991 139 V HN 0.772 nan 8.190 nan 0.000 0.469 140 S N 0.019 115.633 115.700 -0.145 0.000 2.690 140 S HA 0.746 5.216 4.470 -0.001 0.000 0.291 140 S C -1.331 173.204 174.600 -0.109 0.000 1.138 140 S CA -0.111 57.892 58.200 -0.330 0.000 1.013 140 S CB 1.746 64.663 63.200 -0.471 0.000 1.053 140 S HN 0.346 nan 8.310 nan 0.000 0.539 141 F N 2.067 121.781 119.950 -0.392 0.000 2.651 141 F HA 0.393 4.919 4.527 -0.001 0.000 0.329 141 F C -1.536 174.122 175.800 -0.237 0.000 1.186 141 F CA -0.416 57.427 58.000 -0.262 0.000 1.046 141 F CB 1.092 39.963 39.000 -0.214 0.000 1.296 141 F HN 0.701 nan 8.300 nan 0.000 0.497 142 E N 5.319 124.993 120.200 -0.876 0.000 2.304 142 E HA 0.434 4.784 4.350 -0.001 0.000 0.277 142 E C -2.003 174.178 176.600 -0.699 0.000 0.898 142 E CA -1.009 54.997 56.400 -0.656 0.000 0.764 142 E CB 2.329 31.788 29.700 -0.402 0.000 1.216 142 E HN 0.676 nan 8.360 nan 0.000 0.419 143 Q N 1.734 121.238 119.800 -0.493 0.000 2.266 143 Q HA 0.419 4.758 4.340 -0.001 0.000 0.261 143 Q C -1.056 174.831 176.000 -0.188 0.000 0.985 143 Q CA -0.777 54.850 55.803 -0.294 0.000 0.873 143 Q CB 2.386 31.194 28.738 0.116 0.000 1.306 143 Q HN 0.637 nan 8.270 nan 0.000 0.447 144 E N 2.329 122.384 120.200 -0.241 0.000 2.304 144 E HA 0.429 4.778 4.350 -0.001 0.000 0.277 144 E C -1.616 175.017 176.600 0.054 0.000 0.898 144 E CA -0.399 55.967 56.400 -0.058 0.000 0.764 144 E CB 1.376 31.034 29.700 -0.070 0.000 1.216 144 E HN 0.523 nan 8.360 nan 0.000 0.419 145 I N 5.617 126.330 120.570 0.237 0.000 2.433 145 I HA 0.525 4.695 4.170 -0.001 0.000 0.292 145 I C -0.739 175.566 176.117 0.314 0.000 1.001 145 I CA -0.828 60.619 61.300 0.245 0.000 1.119 145 I CB 0.856 38.975 38.000 0.199 0.000 1.289 145 I HN 0.447 nan 8.210 nan 0.000 0.438 146 F N 3.132 123.230 119.950 0.248 0.000 2.685 146 F HA 0.519 5.045 4.527 -0.001 0.000 0.315 146 F C -0.078 175.919 175.800 0.328 0.000 1.126 146 F CA -1.277 56.846 58.000 0.206 0.000 0.950 146 F CB 0.927 39.993 39.000 0.110 0.000 1.360 146 F HN 0.438 nan 8.300 nan 0.000 0.469 147 N N 0.593 119.589 118.700 0.493 0.000 2.696 147 N HA -0.140 4.600 4.740 -0.001 0.000 0.256 147 N C -0.936 174.802 175.510 0.380 0.000 1.031 147 N CA 0.535 53.843 53.050 0.431 0.000 0.730 147 N CB -0.636 38.174 38.487 0.539 0.000 0.894 147 N HN 0.485 nan 8.380 nan 0.000 0.544 148 V N 1.148 121.226 119.914 0.274 0.000 2.572 148 V HA 0.216 4.336 4.120 -0.001 0.000 0.291 148 V C 0.903 177.106 176.094 0.181 0.000 1.039 148 V CA 0.029 62.462 62.300 0.222 0.000 1.055 148 V CB 1.704 33.607 31.823 0.133 0.000 0.969 148 V HN 0.089 nan 8.190 nan 0.000 0.482 149 V N 6.617 126.634 119.914 0.172 0.000 2.686 149 V HA 0.519 4.638 4.120 -0.001 0.000 0.306 149 V C -0.525 175.607 176.094 0.063 0.000 1.065 149 V CA -0.501 61.870 62.300 0.118 0.000 0.894 149 V CB 2.010 33.918 31.823 0.142 0.000 1.004 149 V HN 0.656 nan 8.190 nan 0.000 0.424 150 L N 5.244 126.468 121.223 0.001 0.000 2.372 150 L HA 0.624 4.963 4.340 -0.001 0.000 0.274 150 L C -0.418 176.356 176.870 -0.160 0.000 0.988 150 L CA -0.489 54.299 54.840 -0.087 0.000 0.833 150 L CB 1.890 43.917 42.059 -0.053 0.000 1.236 150 L HN 0.510 nan 8.230 nan 0.000 0.410 151 K N 1.878 122.056 120.400 -0.371 0.000 2.316 151 K HA 0.659 4.979 4.320 -0.001 0.000 0.251 151 K C -0.851 175.483 176.600 -0.442 0.000 0.934 151 K CA -0.782 55.282 56.287 -0.371 0.000 0.802 151 K CB 2.757 35.045 32.500 -0.352 0.000 1.171 151 K HN 0.386 nan 8.250 nan 0.000 0.426 152 T N 1.027 115.471 114.554 -0.183 0.000 2.902 152 T HA 0.303 4.653 4.350 -0.001 0.000 0.283 152 T C -0.294 174.388 174.700 -0.030 0.000 1.009 152 T CA -0.670 61.372 62.100 -0.097 0.000 1.051 152 T CB 1.534 70.368 68.868 -0.057 0.000 0.999 152 T HN 0.139 nan 8.240 nan 0.000 0.474 153 V N 2.798 122.709 119.914 -0.005 0.000 2.370 153 V HA 0.402 4.522 4.120 -0.001 0.000 0.283 153 V C -0.005 176.039 176.094 -0.083 0.000 1.023 153 V CA -0.566 61.701 62.300 -0.055 0.000 0.857 153 V CB 1.615 33.443 31.823 0.008 0.000 0.985 153 V HN 0.974 nan 8.190 nan 0.000 0.443 154 S N 3.954 119.577 115.700 -0.128 0.000 2.438 154 S HA 0.350 4.820 4.470 -0.001 0.000 0.316 154 S C -0.161 174.370 174.600 -0.115 0.000 1.084 154 S CA -0.487 57.658 58.200 -0.091 0.000 1.107 154 S CB 0.978 64.140 63.200 -0.064 0.000 0.981 154 S HN 0.819 nan 8.310 nan 0.000 0.466 155 E N 2.457 122.609 120.200 -0.080 0.000 1.993 155 E HA 0.172 4.522 4.350 -0.001 0.000 0.271 155 E C -0.506 176.067 176.600 -0.046 0.000 1.008 155 E CA -0.127 56.231 56.400 -0.071 0.000 0.814 155 E CB 0.435 30.105 29.700 -0.050 0.000 1.098 155 E HN 0.421 nan 8.360 nan 0.000 0.407 156 S N 3.686 119.358 115.700 -0.046 0.000 3.869 156 S HA 0.273 4.742 4.470 -0.001 0.000 0.241 156 S C 0.066 174.655 174.600 -0.019 0.000 1.363 156 S CA -0.426 57.757 58.200 -0.027 0.000 0.894 156 S CB -0.396 62.790 63.200 -0.023 0.000 1.519 156 S HN 0.596 nan 8.310 nan 0.000 0.470 157 A N 4.000 126.810 122.820 -0.017 0.000 2.729 157 A HA 0.302 4.622 4.320 -0.001 0.000 0.291 157 A C 0.599 178.179 177.584 -0.007 0.000 1.574 157 A CA 0.307 52.337 52.037 -0.012 0.000 1.194 157 A CB -0.526 18.468 19.000 -0.010 0.000 1.047 157 A HN 0.556 nan 8.150 nan 0.000 0.578 158 T N 2.564 117.115 114.554 -0.006 0.000 3.313 158 T HA 0.425 4.775 4.350 -0.001 0.000 0.333 158 T C 0.303 175.003 174.700 -0.000 0.000 0.904 158 T CA -0.190 61.908 62.100 -0.002 0.000 1.079 158 T CB -0.005 68.862 68.868 -0.001 0.000 1.017 158 T HN 0.830 nan 8.240 nan 0.000 0.471 159 Q N 1.190 120.990 119.800 0.000 0.000 2.576 159 Q HA -0.179 4.161 4.340 -0.001 0.000 0.198 159 Q C -1.552 174.449 176.000 0.002 0.000 2.845 159 Q CA 1.763 57.567 55.803 0.002 0.000 0.325 159 Q CB -2.645 26.095 28.738 0.004 0.000 0.538 159 Q HN 0.538 nan 8.270 nan 0.000 0.423 160 P HA -0.025 nan 4.420 nan 0.000 0.213 160 P C -1.198 176.103 177.300 0.001 0.000 1.170 160 P CA 2.030 65.132 63.100 0.004 0.000 0.902 160 P CB -1.429 30.275 31.700 0.008 0.000 0.789 161 P HA 0.127 nan 4.420 nan 0.000 0.310 161 P C -0.178 177.121 177.300 -0.002 0.000 1.309 161 P CA 0.417 63.514 63.100 -0.004 0.000 0.753 161 P CB -0.136 31.559 31.700 -0.009 0.000 1.491 162 T N -1.141 113.408 114.554 -0.008 0.000 2.906 162 T HA 0.443 4.793 4.350 -0.001 0.000 0.295 162 T C -0.619 174.057 174.700 -0.039 0.000 1.075 162 T CA -0.739 61.356 62.100 -0.007 0.000 1.005 162 T CB 1.504 70.374 68.868 0.003 0.000 1.136 162 T HN 0.157 nan 8.240 nan 0.000 0.498 163 K N 1.551 121.918 120.400 -0.055 0.000 2.323 163 K HA 0.665 4.984 4.320 -0.001 0.000 0.259 163 K C -1.337 175.120 176.600 -0.239 0.000 0.947 163 K CA -0.737 55.434 56.287 -0.193 0.000 0.819 163 K CB 2.148 34.488 32.500 -0.268 0.000 1.109 163 K HN 0.247 nan 8.250 nan 0.000 0.429 164 V N 4.435 124.187 119.914 -0.270 0.000 2.378 164 V HA 0.275 4.395 4.120 -0.001 0.000 0.288 164 V C -1.053 174.911 176.094 -0.215 0.000 1.016 164 V CA -0.922 61.293 62.300 -0.142 0.000 0.840 164 V CB 0.324 32.118 31.823 -0.048 0.000 0.994 164 V HN 0.578 nan 8.190 nan 0.000 0.431 165 Y N 3.662 123.998 120.300 0.060 0.000 2.313 165 Y HA 0.504 5.053 4.550 -0.001 0.000 0.332 165 Y C 0.585 176.507 175.900 0.037 0.000 1.071 165 Y CA -0.146 57.996 58.100 0.070 0.000 1.169 165 Y CB 1.018 39.547 38.460 0.114 0.000 1.192 165 Y HN 0.646 nan 8.280 nan 0.000 0.487 166 N N 1.081 119.862 118.700 0.135 0.000 2.697 166 N HA 0.411 5.151 4.740 -0.001 0.000 0.272 166 N C -1.648 173.877 175.510 0.026 0.000 1.381 166 N CA -1.201 51.891 53.050 0.069 0.000 0.797 166 N CB 1.339 39.846 38.487 0.032 0.000 1.523 166 N HN 0.502 nan 8.380 nan 0.000 0.518 167 N N 0.740 119.449 118.700 0.016 0.000 2.392 167 N HA 0.143 4.882 4.740 -0.001 0.000 0.283 167 N C -1.594 173.910 175.510 -0.010 0.000 1.003 167 N CA -0.287 52.761 53.050 -0.003 0.000 0.892 167 N CB 1.703 40.202 38.487 0.020 0.000 1.193 167 N HN 0.540 nan 8.380 nan 0.000 0.487 168 D N 3.085 123.468 120.400 -0.029 0.000 2.638 168 D HA 0.194 4.833 4.640 -0.001 0.000 0.245 168 D C 1.243 177.536 176.300 -0.013 0.000 1.176 168 D CA -0.377 53.608 54.000 -0.024 0.000 0.996 168 D CB 0.060 40.836 40.800 -0.040 0.000 1.012 168 D HN 0.435 nan 8.370 nan 0.000 0.515 169 L N 0.918 122.141 121.223 0.001 0.000 2.450 169 L HA -0.142 4.198 4.340 -0.001 0.000 0.225 169 L C 1.776 178.652 176.870 0.011 0.000 1.145 169 L CA 1.322 56.169 54.840 0.012 0.000 0.801 169 L CB -0.626 41.444 42.059 0.019 0.000 0.924 169 L HN 0.359 nan 8.230 nan 0.000 0.447 170 T N -3.622 110.934 114.554 0.003 0.000 3.040 170 T HA 0.392 4.742 4.350 -0.001 0.000 0.250 170 T C 0.982 175.680 174.700 -0.004 0.000 1.058 170 T CA 0.211 62.312 62.100 0.002 0.000 0.988 170 T CB 0.144 69.012 68.868 -0.001 0.000 0.993 170 T HN 0.222 nan 8.240 nan 0.000 0.519 171 A N 1.498 124.311 122.820 -0.011 0.000 2.387 171 A HA 0.609 4.928 4.320 -0.001 0.000 0.251 171 A C 0.438 178.015 177.584 -0.011 0.000 1.113 171 A CA -0.278 51.747 52.037 -0.020 0.000 0.794 171 A CB 0.051 19.031 19.000 -0.033 0.000 1.069 171 A HN 0.377 nan 8.150 nan 0.000 0.506 172 S N -1.897 113.792 115.700 -0.018 0.000 2.618 172 S HA 0.636 5.105 4.470 -0.001 0.000 0.277 172 S C -1.373 173.214 174.600 -0.021 0.000 1.138 172 S CA -0.410 57.783 58.200 -0.010 0.000 0.844 172 S CB 1.431 64.627 63.200 -0.006 0.000 1.127 172 S HN 0.759 nan 8.310 nan 0.000 0.474 173 L N 1.899 123.111 121.223 -0.019 0.000 2.365 173 L HA 0.624 4.963 4.340 -0.001 0.000 0.273 173 L C -1.118 175.744 176.870 -0.013 0.000 1.000 173 L CA -0.353 54.463 54.840 -0.039 0.000 0.819 173 L CB 1.399 43.406 42.059 -0.086 0.000 1.284 173 L HN 0.670 nan 8.230 nan 0.000 0.418 174 M N 5.577 125.186 119.600 0.016 0.000 2.289 174 M HA 0.338 4.817 4.480 -0.001 0.000 0.354 174 M C -0.991 175.445 176.300 0.226 0.000 1.210 174 M CA -0.548 54.839 55.300 0.144 0.000 1.174 174 M CB 0.880 33.588 32.600 0.180 0.000 1.297 174 M HN 0.209 nan 8.290 nan 0.000 0.423 175 V N 2.564 122.495 119.914 0.028 0.000 2.509 175 V HA 0.796 4.915 4.120 -0.001 0.000 0.284 175 V C 0.215 176.215 176.094 -0.157 0.000 1.047 175 V CA -0.420 61.791 62.300 -0.148 0.000 0.952 175 V CB 1.398 32.947 31.823 -0.456 0.000 0.988 175 V HN 0.869 nan 8.190 nan 0.000 0.469 176 A N 5.290 127.988 122.820 -0.203 0.000 2.539 176 A HA 0.864 5.183 4.320 -0.001 0.000 0.296 176 A C -1.441 176.035 177.584 -0.181 0.000 1.073 176 A CA -0.541 51.373 52.037 -0.205 0.000 0.700 176 A CB 1.907 20.695 19.000 -0.354 0.000 1.296 176 A HN 0.725 nan 8.150 nan 0.000 0.405 177 L N 1.773 122.941 121.223 -0.092 0.000 2.439 177 L HA 0.420 4.759 4.340 -0.001 0.000 0.270 177 L C -1.361 175.486 176.870 -0.040 0.000 0.972 177 L CA -0.344 54.466 54.840 -0.050 0.000 0.836 177 L CB 1.893 44.032 42.059 0.133 0.000 1.255 177 L HN 0.901 nan 8.230 nan 0.000 0.404 178 D N 2.040 122.385 120.400 -0.092 0.000 2.741 178 D HA 0.121 4.760 4.640 -0.001 0.000 0.233 178 D C 1.131 177.402 176.300 -0.048 0.000 1.160 178 D CA 0.290 54.261 54.000 -0.048 0.000 1.003 178 D CB 0.652 41.443 40.800 -0.014 0.000 1.064 178 D HN 0.437 nan 8.370 nan 0.000 0.503 179 S N 0.954 116.641 115.700 -0.022 0.000 2.442 179 S HA -0.082 4.387 4.470 -0.001 0.000 0.236 179 S C 1.189 175.779 174.600 -0.016 0.000 1.007 179 S CA 0.742 58.932 58.200 -0.016 0.000 0.965 179 S CB -0.142 63.072 63.200 0.023 0.000 0.773 179 S HN 0.501 nan 8.310 nan 0.000 0.504 180 N N 1.428 120.122 118.700 -0.010 0.000 2.380 180 N HA 0.200 4.939 4.740 -0.001 0.000 0.255 180 N C -0.871 174.636 175.510 -0.006 0.000 1.158 180 N CA -0.208 52.842 53.050 -0.002 0.000 0.878 180 N CB 0.148 38.638 38.487 0.005 0.000 1.138 180 N HN 0.148 nan 8.380 nan 0.000 0.509 181 N N 1.048 119.737 118.700 -0.018 0.000 2.843 181 N HA -0.160 4.579 4.740 -0.001 0.000 0.303 181 N C 0.032 175.540 175.510 -0.004 0.000 1.092 181 N CA 0.786 53.832 53.050 -0.007 0.000 0.802 181 N CB 0.051 38.528 38.487 -0.017 0.000 0.984 181 N HN 0.391 nan 8.380 nan 0.000 0.595 182 T N -0.270 114.268 114.554 -0.027 0.000 3.000 182 T HA 0.152 4.501 4.350 -0.001 0.000 0.248 182 T C 1.166 175.744 174.700 -0.203 0.000 1.034 182 T CA 0.072 62.145 62.100 -0.046 0.000 1.060 182 T CB 0.526 69.376 68.868 -0.031 0.000 0.983 182 T HN 0.235 nan 8.240 nan 0.000 0.482 183 M N 1.753 121.184 119.600 -0.282 0.000 2.371 183 M HA 0.389 4.869 4.480 -0.001 0.000 0.301 183 M C -2.197 173.968 176.300 -0.225 0.000 1.173 183 M CA -2.369 52.570 55.300 -0.602 0.000 1.020 183 M CB 0.816 33.269 32.600 -0.246 0.000 1.490 183 M HN -0.114 nan 8.290 nan 0.000 0.485 184 P HA 0.027 nan 4.420 nan 0.000 0.272 184 P C -1.389 176.133 177.300 0.369 0.000 1.248 184 P CA 0.035 63.222 63.100 0.144 0.000 0.799 184 P CB 0.254 32.044 31.700 0.150 0.000 0.997 185 F N 0.662 120.735 119.950 0.204 0.000 2.403 185 F HA 0.362 4.889 4.527 -0.001 0.000 0.355 185 F C -0.195 175.755 175.800 0.250 0.000 1.119 185 F CA -0.322 57.815 58.000 0.227 0.000 1.007 185 F CB 0.744 39.849 39.000 0.175 0.000 1.194 185 F HN 0.144 nan 8.300 nan 0.000 0.443 186 T N 4.106 118.612 114.554 -0.079 0.000 3.332 186 T HA 0.411 4.760 4.350 -0.001 0.000 0.385 186 T C -2.844 171.725 174.700 -0.217 0.000 1.695 186 T CA -2.225 59.862 62.100 -0.022 0.000 1.397 186 T CB 0.134 69.114 68.868 0.187 0.000 1.100 186 T HN 0.256 nan 8.240 nan 0.000 0.669 187 P HA 0.273 nan 4.420 nan 0.000 0.264 187 P C 0.374 177.600 177.300 -0.123 0.000 1.229 187 P CA -0.144 62.785 63.100 -0.285 0.000 0.780 187 P CB 0.216 31.832 31.700 -0.141 0.000 0.808 188 A N 3.300 126.052 122.820 -0.112 0.000 2.648 188 A HA 0.406 4.726 4.320 -0.001 0.000 0.269 188 A C 1.489 179.031 177.584 -0.070 0.000 1.392 188 A CA 0.510 52.510 52.037 -0.061 0.000 1.019 188 A CB -0.750 18.230 19.000 -0.033 0.000 1.009 188 A HN 0.506 nan 8.150 nan 0.000 0.565 189 A N -0.852 121.932 122.820 -0.060 0.000 2.070 189 A HA 0.224 4.544 4.320 -0.001 0.000 0.202 189 A C 1.794 179.386 177.584 0.014 0.000 1.277 189 A CA 0.806 52.829 52.037 -0.023 0.000 0.872 189 A CB -0.365 18.628 19.000 -0.013 0.000 0.933 189 A HN 0.477 nan 8.150 nan 0.000 0.475 190 M N 0.067 119.670 119.600 0.006 0.000 2.089 190 M HA -0.189 4.291 4.480 -0.001 0.000 0.257 190 M C 1.154 177.440 176.300 -0.022 0.000 1.071 190 M CA 1.623 56.924 55.300 0.003 0.000 1.096 190 M CB -0.017 32.581 32.600 -0.002 0.000 1.330 190 M HN 0.315 nan 8.290 nan 0.000 0.403 191 R N -1.343 119.131 120.500 -0.043 0.000 2.633 191 R HA 0.214 4.554 4.340 -0.001 0.000 0.348 191 R C 0.663 176.903 176.300 -0.101 0.000 1.100 191 R CA 0.183 56.245 56.100 -0.062 0.000 1.068 191 R CB 0.270 30.533 30.300 -0.062 0.000 1.351 191 R HN 0.302 nan 8.270 nan 0.000 0.575 192 S N 1.629 117.251 115.700 -0.131 0.000 3.477 192 S HA -0.187 4.283 4.470 -0.001 0.000 0.357 192 S C 0.009 174.303 174.600 -0.510 0.000 1.083 192 S CA 0.945 58.937 58.200 -0.347 0.000 1.042 192 S CB -0.894 62.145 63.200 -0.268 0.000 0.911 192 S HN 0.580 nan 8.310 nan 0.000 0.490 193 E N 1.257 121.312 120.200 -0.242 0.000 2.464 193 E HA 0.209 4.559 4.350 -0.001 0.000 0.260 193 E C 0.796 177.369 176.600 -0.044 0.000 1.318 193 E CA -0.183 56.150 56.400 -0.111 0.000 1.571 193 E CB 0.576 30.248 29.700 -0.046 0.000 1.525 193 E HN 0.445 nan 8.360 nan 0.000 0.449 194 T N 0.187 114.748 114.554 0.011 0.000 3.160 194 T HA 0.404 4.754 4.350 -0.001 0.000 0.251 194 T C 0.012 174.819 174.700 0.178 0.000 1.088 194 T CA -0.309 61.869 62.100 0.130 0.000 1.119 194 T CB 0.451 69.471 68.868 0.254 0.000 2.590 194 T HN 0.026 nan 8.240 nan 0.000 0.482 195 L N -0.017 121.293 121.223 0.145 0.000 2.354 195 L HA 0.630 4.970 4.340 -0.001 0.000 0.264 195 L C 0.701 177.518 176.870 -0.087 0.000 1.008 195 L CA -0.800 53.994 54.840 -0.077 0.000 0.819 195 L CB 1.267 43.130 42.059 -0.327 0.000 1.339 195 L HN 0.716 nan 8.230 nan 0.000 0.420 196 G N 0.103 108.785 108.800 -0.198 0.000 2.391 196 G HA2 0.084 4.044 3.960 -0.001 0.000 0.234 196 G HA3 0.084 4.044 3.960 -0.001 0.000 0.234 196 G C 0.105 174.940 174.900 -0.109 0.000 1.284 196 G CA 0.046 45.016 45.100 -0.216 0.000 0.873 196 G HN 0.455 nan 8.290 nan 0.000 0.549 197 F N 0.156 119.700 119.950 -0.676 0.000 2.776 197 F HA 0.256 4.782 4.527 -0.001 0.000 0.300 197 F C 0.252 175.523 175.800 -0.880 0.000 1.116 197 F CA -0.826 56.715 58.000 -0.765 0.000 1.375 197 F CB -0.144 38.306 39.000 -0.918 0.000 1.109 197 F HN 0.339 nan 8.300 nan 0.000 0.585 198 Y N 0.886 121.043 120.300 -0.239 0.000 2.417 198 Y HA 0.355 4.904 4.550 -0.001 0.000 0.336 198 Y C -1.617 173.895 175.900 -0.648 0.000 0.961 198 Y CA -3.481 54.203 58.100 -0.693 0.000 1.215 198 Y CB 0.241 38.165 38.460 -0.894 0.000 1.120 198 Y HN -0.179 nan 8.280 nan 0.000 0.499 199 P HA -0.187 nan 4.420 nan 0.000 0.215 199 P C 0.920 178.332 177.300 0.186 0.000 1.153 199 P CA 1.581 64.723 63.100 0.070 0.000 0.853 199 P CB -0.090 31.808 31.700 0.330 0.000 0.788 200 W N 0.646 122.113 121.300 0.279 0.000 3.316 200 W HA 0.270 4.930 4.660 -0.001 0.000 0.258 200 W C 0.156 176.774 176.519 0.165 0.000 1.330 200 W CA -0.515 56.959 57.345 0.215 0.000 1.595 200 W CB -0.959 28.588 29.460 0.146 0.000 1.088 200 W HN -0.106 nan 8.180 nan 0.000 0.734 201 K N 2.524 122.885 120.400 -0.065 0.000 2.483 201 K HA 0.313 4.633 4.320 -0.001 0.000 0.256 201 K C -2.529 174.040 176.600 -0.051 0.000 0.961 201 K CA -2.337 53.918 56.287 -0.053 0.000 0.873 201 K CB 1.241 33.651 32.500 -0.150 0.000 1.107 201 K HN -0.304 nan 8.250 nan 0.000 0.432 202 P HA -0.019 nan 4.420 nan 0.000 0.264 202 P C -0.474 176.742 177.300 -0.141 0.000 1.193 202 P CA -0.115 62.901 63.100 -0.139 0.000 0.763 202 P CB 1.303 32.904 31.700 -0.165 0.000 0.810 203 T N 2.044 116.495 114.554 -0.171 0.000 2.844 203 T HA 0.801 5.150 4.350 -0.001 0.000 0.274 203 T C -0.547 174.069 174.700 -0.140 0.000 0.991 203 T CA -0.894 61.117 62.100 -0.150 0.000 0.983 203 T CB 0.536 69.302 68.868 -0.169 0.000 1.310 203 T HN 0.356 nan 8.240 nan 0.000 0.596 204 I N -0.132 120.377 120.570 -0.102 0.000 2.644 204 I HA 0.563 4.733 4.170 -0.001 0.000 0.291 204 I C -2.922 173.167 176.117 -0.046 0.000 1.180 204 I CA -2.664 58.598 61.300 -0.063 0.000 1.040 204 I CB 2.070 40.064 38.000 -0.009 0.000 1.255 204 I HN 0.400 nan 8.210 nan 0.000 0.422 205 P HA 0.178 nan 4.420 nan 0.000 0.272 205 P C -0.303 177.023 177.300 0.043 0.000 1.254 205 P CA 0.039 63.142 63.100 0.004 0.000 0.795 205 P CB 0.395 32.133 31.700 0.062 0.000 1.022 206 T N -2.688 111.910 114.554 0.073 0.000 2.794 206 T HA 0.476 4.825 4.350 -0.001 0.000 0.280 206 T C -2.666 172.130 174.700 0.162 0.000 0.987 206 T CA -2.557 59.600 62.100 0.095 0.000 0.993 206 T CB 0.601 69.518 68.868 0.082 0.000 0.939 206 T HN 0.150 nan 8.240 nan 0.000 0.449 207 P HA 0.062 nan 4.420 nan 0.000 0.263 207 P C -0.736 176.704 177.300 0.233 0.000 1.195 207 P CA -0.383 62.810 63.100 0.155 0.000 0.762 207 P CB 0.306 32.047 31.700 0.069 0.000 0.799 208 W N 6.171 127.528 121.300 0.096 0.000 2.218 208 W HA 0.283 4.942 4.660 -0.001 0.000 0.326 208 W C 0.723 177.291 176.519 0.082 0.000 1.276 208 W CA 0.342 57.760 57.345 0.123 0.000 1.210 208 W CB 0.565 30.127 29.460 0.170 0.000 1.143 208 W HN 0.399 nan 8.180 nan 0.000 0.563 209 R N 4.880 125.053 120.500 -0.545 0.000 2.664 209 R HA 0.523 4.863 4.340 -0.001 0.000 0.266 209 R C -2.069 173.781 176.300 -0.749 0.000 1.046 209 R CA -0.822 54.951 56.100 -0.545 0.000 0.885 209 R CB 1.615 31.719 30.300 -0.327 0.000 1.254 209 R HN 0.665 nan 8.270 nan 0.000 0.465 210 Y N -1.306 118.636 120.300 -0.596 0.000 2.670 210 Y HA 0.590 5.140 4.550 -0.001 0.000 0.334 210 Y C -1.696 174.103 175.900 -0.168 0.000 1.185 210 Y CA -1.560 56.274 58.100 -0.444 0.000 1.053 210 Y CB 0.752 38.986 38.460 -0.376 0.000 1.298 210 Y HN 0.453 nan 8.280 nan 0.000 0.459 211 Y N 1.420 121.894 120.300 0.290 0.000 2.304 211 Y HA 0.464 5.013 4.550 -0.001 0.000 0.327 211 Y C -0.685 175.452 175.900 0.395 0.000 1.209 211 Y CA -0.544 57.754 58.100 0.330 0.000 1.299 211 Y CB 0.868 39.546 38.460 0.364 0.000 1.249 211 Y HN 0.606 nan 8.280 nan 0.000 0.519 212 F N 2.488 122.716 119.950 0.463 0.000 2.529 212 F HA 0.275 4.801 4.527 -0.001 0.000 0.320 212 F C -0.132 175.875 175.800 0.346 0.000 1.118 212 F CA -1.139 57.044 58.000 0.306 0.000 0.915 212 F CB 1.305 40.399 39.000 0.157 0.000 1.161 212 F HN 0.359 nan 8.300 nan 0.000 0.445 213 Q N 5.746 125.629 119.800 0.139 0.000 2.388 213 Q HA -0.074 4.265 4.340 -0.001 0.000 0.302 213 Q C -1.391 174.789 176.000 0.300 0.000 1.149 213 Q CA 0.531 56.379 55.803 0.074 0.000 1.014 213 Q CB 0.165 28.838 28.738 -0.108 0.000 1.072 213 Q HN 0.616 nan 8.270 nan 0.000 0.395 214 W N 4.184 125.558 121.300 0.124 0.000 2.532 214 W HA 0.543 5.202 4.660 -0.001 0.000 0.321 214 W C -1.414 175.074 176.519 -0.052 0.000 1.037 214 W CA -1.256 56.108 57.345 0.031 0.000 1.220 214 W CB 0.842 30.393 29.460 0.153 0.000 1.361 214 W HN 0.371 nan 8.180 nan 0.000 0.468 215 D N 3.417 123.766 120.400 -0.085 0.000 2.193 215 D HA 0.525 5.164 4.640 -0.001 0.000 0.244 215 D C -0.536 175.797 176.300 0.054 0.000 1.064 215 D CA -0.341 53.631 54.000 -0.047 0.000 0.845 215 D CB 0.984 41.800 40.800 0.027 0.000 1.148 215 D HN 0.503 nan 8.370 nan 0.000 0.464 216 R N 1.357 121.933 120.500 0.126 0.000 2.734 216 R HA 0.603 4.943 4.340 -0.001 0.000 0.271 216 R C -1.532 174.842 176.300 0.124 0.000 1.021 216 R CA -0.613 55.540 56.100 0.088 0.000 0.893 216 R CB 1.918 32.358 30.300 0.234 0.000 1.244 216 R HN 0.441 nan 8.270 nan 0.000 0.464 217 T N 2.249 116.836 114.554 0.056 0.000 2.916 217 T HA 0.565 4.915 4.350 -0.001 0.000 0.298 217 T C -1.656 173.074 174.700 0.050 0.000 1.031 217 T CA -0.551 61.599 62.100 0.084 0.000 0.993 217 T CB 1.431 70.370 68.868 0.119 0.000 1.045 217 T HN 0.389 nan 8.240 nan 0.000 0.454 218 L N 4.316 125.571 121.223 0.053 0.000 2.639 218 L HA 0.585 4.925 4.340 -0.001 0.000 0.264 218 L C -1.632 175.252 176.870 0.023 0.000 0.948 218 L CA -0.493 54.368 54.840 0.034 0.000 0.912 218 L CB 1.006 43.092 42.059 0.045 0.000 1.294 218 L HN 0.661 nan 8.230 nan 0.000 0.412 219 I N 5.472 126.047 120.570 0.010 0.000 2.396 219 I HA 0.481 4.651 4.170 -0.001 0.000 0.292 219 I C -1.741 174.366 176.117 -0.016 0.000 0.999 219 I CA -1.871 59.429 61.300 0.000 0.000 1.310 219 I CB 0.921 38.921 38.000 -0.000 0.000 1.404 219 I HN 0.451 nan 8.210 nan 0.000 0.496 220 P HA 0.096 nan 4.420 nan 0.000 0.273 220 P C -0.729 176.541 177.300 -0.050 0.000 1.258 220 P CA -0.185 62.895 63.100 -0.034 0.000 0.802 220 P CB 0.456 32.144 31.700 -0.020 0.000 1.040 221 S N -2.577 113.083 115.700 -0.066 0.000 2.551 221 S HA 0.297 4.766 4.470 -0.001 0.000 0.325 221 S C -0.554 173.969 174.600 -0.128 0.000 0.963 221 S CA -1.003 57.110 58.200 -0.144 0.000 0.876 221 S CB -0.905 62.209 63.200 -0.143 0.000 1.132 221 S HN 0.735 nan 8.310 nan 0.000 0.458 222 H N 0.929 119.979 119.070 -0.032 0.000 2.408 222 H HA 0.610 5.166 4.556 -0.001 0.000 0.352 222 H C 1.380 176.691 175.328 -0.028 0.000 1.607 222 H CA 0.215 56.243 56.048 -0.033 0.000 1.445 222 H CB -0.439 29.307 29.762 -0.027 0.000 1.664 222 H HN 0.418 nan 8.280 nan 0.000 0.605 223 T N -0.686 113.953 114.554 0.141 0.000 3.007 223 T HA -0.002 4.347 4.350 -0.001 0.000 0.270 223 T C 1.830 176.573 174.700 0.071 0.000 1.107 223 T CA 1.220 63.360 62.100 0.066 0.000 1.118 223 T CB -0.458 68.451 68.868 0.067 0.000 0.889 223 T HN 0.846 nan 8.240 nan 0.000 0.506 224 G N 0.657 109.590 108.800 0.223 0.000 2.724 224 G HA2 0.062 4.022 3.960 -0.001 0.000 0.205 224 G HA3 0.062 4.022 3.960 -0.001 0.000 0.205 224 G C 0.562 175.424 174.900 -0.062 0.000 1.112 224 G CA -0.251 44.952 45.100 0.171 0.000 0.793 224 G HN 0.366 nan 8.290 nan 0.000 0.526 225 T N 2.945 117.111 114.554 -0.647 0.000 2.709 225 T HA 0.255 4.604 4.350 -0.001 0.000 0.269 225 T C 1.037 175.619 174.700 -0.196 0.000 1.008 225 T CA 0.545 62.348 62.100 -0.495 0.000 1.194 225 T CB 0.187 68.645 68.868 -0.683 0.000 0.986 225 T HN 0.459 nan 8.240 nan 0.000 0.508 226 S N 3.328 118.974 115.700 -0.089 0.000 2.576 226 S HA 0.544 5.013 4.470 -0.001 0.000 0.272 226 S C 1.068 175.636 174.600 -0.053 0.000 1.352 226 S CA -0.315 57.856 58.200 -0.049 0.000 1.021 226 S CB 0.483 63.672 63.200 -0.018 0.000 0.887 226 S HN 1.509 nan 8.310 nan 0.000 0.542 227 G N 1.062 109.839 108.800 -0.038 0.000 2.698 227 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.233 227 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.233 227 G C -0.094 174.782 174.900 -0.040 0.000 1.352 227 G CA -0.248 44.832 45.100 -0.032 0.000 0.879 227 G HN 1.977 nan 8.290 nan 0.000 0.567 228 T N 0.563 115.098 114.554 -0.032 0.000 3.151 228 T HA 0.595 4.944 4.350 -0.001 0.000 0.332 228 T C -0.555 174.125 174.700 -0.032 0.000 1.245 228 T CA -0.280 61.801 62.100 -0.031 0.000 1.019 228 T CB 1.273 70.127 68.868 -0.022 0.000 1.109 228 T HN 0.611 nan 8.240 nan 0.000 0.621 229 P HA 0.054 nan 4.420 nan 0.000 0.199 229 P C 0.087 177.376 177.300 -0.018 0.000 1.085 229 P CA 0.689 63.768 63.100 -0.036 0.000 0.924 229 P CB 0.073 31.744 31.700 -0.048 0.000 0.736 230 T N -1.078 113.468 114.554 -0.014 0.000 3.841 230 T HA 0.417 4.766 4.350 -0.001 0.000 0.428 230 T C -1.765 172.936 174.700 0.001 0.000 1.447 230 T CA -0.683 61.416 62.100 -0.000 0.000 1.135 230 T CB 0.116 68.990 68.868 0.010 0.000 1.389 230 T HN 0.621 nan 8.240 nan 0.000 0.461 231 N N 1.282 119.982 118.700 -0.000 0.000 2.999 231 N HA 0.558 5.297 4.740 -0.001 0.000 0.244 231 N C -1.530 173.970 175.510 -0.017 0.000 1.106 231 N CA -0.687 52.361 53.050 -0.002 0.000 1.018 231 N CB 1.575 40.060 38.487 -0.003 0.000 1.600 231 N HN 0.650 nan 8.380 nan 0.000 0.621 232 V N 1.735 121.619 119.914 -0.050 0.000 3.216 232 V HA 0.700 4.819 4.120 -0.001 0.000 0.302 232 V C -2.095 173.892 176.094 -0.178 0.000 1.286 232 V CA -0.785 61.457 62.300 -0.097 0.000 1.048 232 V CB 1.945 33.696 31.823 -0.121 0.000 1.081 232 V HN 0.761 nan 8.190 nan 0.000 0.442 233 Y N 2.990 123.145 120.300 -0.242 0.000 2.842 233 Y HA 0.573 5.122 4.550 -0.001 0.000 0.334 233 Y C 0.864 176.677 175.900 -0.144 0.000 1.019 233 Y CA -0.291 57.709 58.100 -0.167 0.000 1.258 233 Y CB 0.489 38.918 38.460 -0.052 0.000 1.106 233 Y HN 0.901 nan 8.280 nan 0.000 0.545 234 H N 2.791 121.825 119.070 -0.060 0.000 2.319 234 H HA 0.167 4.723 4.556 -0.001 0.000 0.299 234 H C 1.577 176.823 175.328 -0.137 0.000 1.092 234 H CA 1.527 57.543 56.048 -0.053 0.000 1.302 234 H CB 0.135 29.856 29.762 -0.067 0.000 1.373 234 H HN 0.833 nan 8.280 nan 0.000 0.497 235 G N -1.173 107.399 108.800 -0.380 0.000 2.174 235 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.070 235 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.070 235 G C -0.876 173.875 174.900 -0.248 0.000 1.120 235 G CA -0.189 44.670 45.100 -0.401 0.000 1.194 235 G HN 0.299 nan 8.290 nan 0.000 0.435 236 T N 1.113 115.654 114.554 -0.022 0.000 2.886 236 T HA 0.561 4.911 4.350 -0.001 0.000 0.292 236 T C -1.577 173.145 174.700 0.036 0.000 1.012 236 T CA -0.347 61.790 62.100 0.061 0.000 0.982 236 T CB 2.155 71.153 68.868 0.218 0.000 1.018 236 T HN 0.570 nan 8.240 nan 0.000 0.451 237 D N 3.164 123.567 120.400 0.005 0.000 2.343 237 D HA 0.227 4.866 4.640 -0.001 0.000 0.255 237 D C -1.341 174.959 176.300 -0.000 0.000 1.187 237 D CA -2.160 51.829 54.000 -0.018 0.000 0.875 237 D CB 1.353 42.122 40.800 -0.052 0.000 1.136 237 D HN 0.075 nan 8.370 nan 0.000 0.469 238 P HA -0.071 nan 4.420 nan 0.000 0.229 238 P C 0.383 177.679 177.300 -0.006 0.000 1.150 238 P CA 0.704 63.815 63.100 0.020 0.000 0.765 238 P CB 0.443 32.154 31.700 0.018 0.000 0.783 239 D N -0.097 120.287 120.400 -0.027 0.000 2.240 239 D HA -0.031 4.608 4.640 -0.001 0.000 0.206 239 D C -0.042 176.218 176.300 -0.066 0.000 0.963 239 D CA 0.965 54.940 54.000 -0.042 0.000 0.863 239 D CB -0.024 40.750 40.800 -0.043 0.000 0.973 239 D HN 0.312 nan 8.370 nan 0.000 0.501 240 D N 0.536 120.886 120.400 -0.083 0.000 3.163 240 D HA 0.147 4.786 4.640 -0.001 0.000 0.284 240 D C -0.656 175.524 176.300 -0.200 0.000 1.368 240 D CA -0.096 53.828 54.000 -0.126 0.000 0.895 240 D CB 1.114 41.837 40.800 -0.128 0.000 1.061 240 D HN -0.190 nan 8.370 nan 0.000 0.496 241 V N 1.902 121.707 119.914 -0.182 0.000 2.293 241 V HA 0.198 4.318 4.120 -0.001 0.000 0.275 241 V C -0.251 175.692 176.094 -0.252 0.000 1.021 241 V CA -0.633 61.500 62.300 -0.278 0.000 0.815 241 V CB 0.892 32.690 31.823 -0.042 0.000 1.025 241 V HN 0.265 nan 8.190 nan 0.000 0.448 242 Q N 4.825 124.389 119.800 -0.393 0.000 2.394 242 Q HA 0.426 4.766 4.340 -0.001 0.000 0.259 242 Q C -1.162 174.737 176.000 -0.168 0.000 1.021 242 Q CA -0.578 55.028 55.803 -0.327 0.000 0.805 242 Q CB 2.470 30.965 28.738 -0.405 0.000 1.226 242 Q HN 0.610 nan 8.270 nan 0.000 0.476 243 F N 4.192 124.025 119.950 -0.195 0.000 2.311 243 F HA 0.354 4.880 4.527 -0.001 0.000 0.371 243 F C -1.393 174.399 175.800 -0.012 0.000 1.083 243 F CA -1.694 56.355 58.000 0.081 0.000 1.113 243 F CB 0.045 39.145 39.000 0.168 0.000 1.349 243 F HN 0.394 nan 8.300 nan 0.000 0.470 244 Y N 2.531 123.112 120.300 0.467 0.000 2.300 244 Y HA 0.501 5.051 4.550 -0.001 0.000 0.328 244 Y C 0.671 176.570 175.900 -0.002 0.000 1.270 244 Y CA -0.251 57.898 58.100 0.082 0.000 1.352 244 Y CB 1.220 39.637 38.460 -0.072 0.000 1.286 244 Y HN 0.418 nan 8.280 nan 0.000 0.536 245 T N 3.300 117.895 114.554 0.068 0.000 3.237 245 T HA 0.314 4.664 4.350 -0.001 0.000 0.319 245 T C 0.878 175.562 174.700 -0.026 0.000 1.037 245 T CA -0.595 61.439 62.100 -0.110 0.000 1.048 245 T CB 0.705 69.327 68.868 -0.411 0.000 1.081 245 T HN 0.551 nan 8.240 nan 0.000 0.455 246 I N 1.310 121.881 120.570 0.002 0.000 2.252 246 I HA -0.140 4.030 4.170 -0.001 0.000 0.245 246 I C 2.264 178.303 176.117 -0.129 0.000 1.102 246 I CA 1.295 62.446 61.300 -0.249 0.000 1.385 246 I CB -0.036 37.474 38.000 -0.817 0.000 1.064 246 I HN 0.589 nan 8.210 nan 0.000 0.414 247 E N 1.112 121.360 120.200 0.080 0.000 2.085 247 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 247 E C 1.815 178.425 176.600 0.017 0.000 0.994 247 E CA 1.549 58.022 56.400 0.122 0.000 0.801 247 E CB -0.390 29.437 29.700 0.212 0.000 0.743 247 E HN 0.505 nan 8.360 nan 0.000 0.453 248 N N -0.697 117.989 118.700 -0.024 0.000 2.173 248 N HA -0.043 4.697 4.740 -0.001 0.000 0.184 248 N C 1.200 176.685 175.510 -0.041 0.000 1.025 248 N CA 1.393 54.416 53.050 -0.045 0.000 0.852 248 N CB 0.144 38.578 38.487 -0.088 0.000 0.998 248 N HN 0.040 nan 8.380 nan 0.000 0.427 249 S N -0.633 115.040 115.700 -0.046 0.000 2.575 249 S HA 0.276 4.746 4.470 -0.001 0.000 0.215 249 S C 0.131 174.699 174.600 -0.052 0.000 0.966 249 S CA -0.315 57.865 58.200 -0.032 0.000 0.911 249 S CB 0.505 63.703 63.200 -0.004 0.000 0.780 249 S HN -0.065 nan 8.310 nan 0.000 0.514 250 V N 2.549 122.415 119.914 -0.079 0.000 2.932 250 V HA 0.401 4.520 4.120 -0.001 0.000 0.307 250 V C -2.831 173.203 176.094 -0.100 0.000 1.147 250 V CA -2.164 60.083 62.300 -0.089 0.000 0.951 250 V CB 2.117 33.867 31.823 -0.122 0.000 1.031 250 V HN -0.010 nan 8.190 nan 0.000 0.426 251 P HA 0.206 nan 4.420 nan 0.000 0.266 251 P C -0.737 176.428 177.300 -0.226 0.000 1.215 251 P CA 0.173 63.188 63.100 -0.143 0.000 0.763 251 P CB 0.546 32.171 31.700 -0.125 0.000 0.806 252 V N 4.846 124.632 119.914 -0.214 0.000 2.483 252 V HA 0.244 4.363 4.120 -0.001 0.000 0.295 252 V C 0.146 176.083 176.094 -0.262 0.000 1.035 252 V CA -0.561 61.633 62.300 -0.177 0.000 0.896 252 V CB 0.879 32.704 31.823 0.002 0.000 0.986 252 V HN 0.534 nan 8.190 nan 0.000 0.447 253 H N 4.135 123.200 119.070 -0.008 0.000 2.488 253 H HA 0.587 5.142 4.556 -0.001 0.000 0.322 253 H C -0.598 174.732 175.328 0.003 0.000 1.078 253 H CA -0.460 55.592 56.048 0.006 0.000 1.260 253 H CB 1.208 30.963 29.762 -0.013 0.000 1.425 253 H HN 0.491 nan 8.280 nan 0.000 0.471 254 L N 5.306 126.610 121.223 0.136 0.000 2.257 254 L HA 0.328 4.668 4.340 -0.001 0.000 0.290 254 L C -0.643 176.273 176.870 0.077 0.000 1.044 254 L CA -0.379 54.510 54.840 0.081 0.000 0.810 254 L CB 0.522 42.614 42.059 0.055 0.000 1.193 254 L HN 0.371 nan 8.230 nan 0.000 0.425 255 L N 3.564 124.813 121.223 0.044 0.000 2.329 255 L HA 0.638 4.978 4.340 -0.001 0.000 0.279 255 L C 0.053 176.943 176.870 0.035 0.000 1.014 255 L CA -0.745 54.122 54.840 0.046 0.000 0.814 255 L CB 1.617 43.697 42.059 0.036 0.000 1.257 255 L HN 0.629 nan 8.230 nan 0.000 0.424 256 R N 0.383 120.909 120.500 0.045 0.000 2.705 256 R HA 0.417 4.756 4.340 -0.001 0.000 0.246 256 R C 1.000 177.335 176.300 0.058 0.000 1.142 256 R CA -0.677 55.448 56.100 0.042 0.000 1.114 256 R CB 1.036 31.358 30.300 0.037 0.000 1.256 256 R HN 0.586 nan 8.270 nan 0.000 0.536 257 T N 0.172 114.763 114.554 0.062 0.000 2.699 257 T HA -0.183 4.167 4.350 -0.001 0.000 0.268 257 T C 1.789 176.542 174.700 0.089 0.000 1.036 257 T CA 1.822 63.972 62.100 0.084 0.000 1.147 257 T CB -0.493 68.422 68.868 0.079 0.000 0.862 257 T HN 0.858 nan 8.240 nan 0.000 0.446 258 G N 1.720 110.561 108.800 0.069 0.000 2.471 258 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.219 258 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.219 258 G C 0.446 175.386 174.900 0.067 0.000 1.125 258 G CA 0.290 45.427 45.100 0.063 0.000 0.775 258 G HN 0.406 nan 8.290 nan 0.000 0.548 259 D N -0.300 120.144 120.400 0.072 0.000 2.411 259 D HA 0.445 5.085 4.640 -0.001 0.000 0.251 259 D C 0.007 176.368 176.300 0.102 0.000 1.201 259 D CA 0.051 54.096 54.000 0.075 0.000 0.996 259 D CB 1.376 42.219 40.800 0.072 0.000 1.101 259 D HN 0.148 nan 8.370 nan 0.000 0.504 260 E N -0.229 120.032 120.200 0.102 0.000 2.430 260 E HA 0.439 4.789 4.350 -0.001 0.000 0.279 260 E C -1.967 174.724 176.600 0.151 0.000 1.003 260 E CA -0.655 55.826 56.400 0.135 0.000 0.801 260 E CB 2.338 32.098 29.700 0.101 0.000 1.313 260 E HN 0.302 nan 8.360 nan 0.000 0.459 261 F N 0.990 120.930 119.950 -0.017 0.000 2.619 261 F HA 0.741 5.267 4.527 -0.001 0.000 0.308 261 F C -1.916 173.847 175.800 -0.062 0.000 1.097 261 F CA -0.184 57.763 58.000 -0.090 0.000 0.953 261 F CB 1.974 40.897 39.000 -0.128 0.000 1.287 261 F HN 0.498 nan 8.300 nan 0.000 0.446 262 A N 3.468 125.725 122.820 -0.939 0.000 2.437 262 A HA 0.584 4.903 4.320 -0.001 0.000 0.293 262 A C -0.864 176.143 177.584 -0.961 0.000 1.038 262 A CA -0.597 51.032 52.037 -0.680 0.000 0.708 262 A CB 1.214 20.000 19.000 -0.357 0.000 1.251 262 A HN 0.719 nan 8.150 nan 0.000 0.409 263 T N 1.742 115.930 114.554 -0.609 0.000 2.926 263 T HA 0.462 4.812 4.350 -0.001 0.000 0.307 263 T C 1.227 175.768 174.700 -0.266 0.000 1.059 263 T CA 1.088 62.992 62.100 -0.326 0.000 1.122 263 T CB 0.911 69.736 68.868 -0.071 0.000 0.972 263 T HN 1.040 nan 8.240 nan 0.000 0.545 264 G N 1.559 110.248 108.800 -0.184 0.000 2.714 264 G HA2 0.374 4.334 3.960 -0.001 0.000 0.197 264 G HA3 0.374 4.334 3.960 -0.001 0.000 0.197 264 G C -0.259 174.536 174.900 -0.175 0.000 1.449 264 G CA -0.427 44.570 45.100 -0.171 0.000 1.065 264 G HN 0.640 nan 8.290 nan 0.000 0.575 265 T N 0.604 115.052 114.554 -0.176 0.000 2.780 265 T HA 0.398 4.748 4.350 -0.001 0.000 0.294 265 T C -1.089 173.409 174.700 -0.338 0.000 0.949 265 T CA 0.078 61.988 62.100 -0.316 0.000 1.074 265 T CB 0.622 69.233 68.868 -0.427 0.000 0.910 265 T HN 0.296 nan 8.240 nan 0.000 0.501 266 F N 4.175 123.778 119.950 -0.578 0.000 2.458 266 F HA 0.672 5.198 4.527 -0.001 0.000 0.336 266 F C -1.400 173.891 175.800 -0.848 0.000 1.114 266 F CA -1.574 56.107 58.000 -0.533 0.000 0.987 266 F CB 0.656 39.378 39.000 -0.464 0.000 1.130 266 F HN 0.425 nan 8.300 nan 0.000 0.458 267 F N 6.005 125.239 119.950 -1.194 0.000 2.421 267 F HA 0.487 5.014 4.527 -0.001 0.000 0.337 267 F C -0.571 174.436 175.800 -1.322 0.000 1.105 267 F CA -0.539 56.904 58.000 -0.928 0.000 1.049 267 F CB 0.906 39.580 39.000 -0.542 0.000 1.139 267 F HN 0.270 nan 8.300 nan 0.000 0.479 268 F N 0.740 120.430 119.950 -0.432 0.000 2.380 268 F HA 0.330 4.856 4.527 -0.001 0.000 0.319 268 F C 0.197 175.901 175.800 -0.160 0.000 1.113 268 F CA -1.122 56.724 58.000 -0.256 0.000 1.056 268 F CB 0.610 39.534 39.000 -0.128 0.000 1.289 268 F HN 0.347 nan 8.300 nan 0.000 0.515 269 D N 0.284 120.774 120.400 0.151 0.000 2.458 269 D HA 0.387 5.027 4.640 -0.001 0.000 0.258 269 D C -1.197 175.171 176.300 0.114 0.000 1.134 269 D CA -0.230 53.820 54.000 0.084 0.000 0.915 269 D CB 0.288 41.120 40.800 0.053 0.000 1.028 269 D HN 0.329 nan 8.370 nan 0.000 0.508 270 C N 1.882 121.250 119.300 0.112 0.000 2.783 270 C HA 0.463 4.922 4.460 -0.001 0.000 0.312 270 C C 0.149 175.228 174.990 0.148 0.000 1.182 270 C CA -1.181 57.923 59.018 0.144 0.000 1.432 270 C CB 1.765 29.616 27.740 0.185 0.000 1.933 270 C HN 0.418 nan 8.230 nan 0.000 0.473 271 K N 2.080 122.556 120.400 0.126 0.000 2.380 271 K HA 0.318 4.637 4.320 -0.001 0.000 0.267 271 K C -2.414 174.238 176.600 0.085 0.000 0.990 271 K CA -0.526 55.812 56.287 0.084 0.000 0.946 271 K CB -0.177 32.358 32.500 0.058 0.000 0.937 271 K HN 0.412 nan 8.250 nan 0.000 0.491 272 P HA -0.017 nan 4.420 nan 0.000 0.272 272 P C -0.579 176.702 177.300 -0.032 0.000 1.230 272 P CA -0.636 62.346 63.100 -0.197 0.000 0.788 272 P CB 0.588 31.898 31.700 -0.650 0.000 0.949 273 C N 3.273 122.586 119.300 0.022 0.000 2.295 273 C HA 0.404 4.863 4.460 -0.001 0.000 0.331 273 C C 0.500 175.499 174.990 0.015 0.000 1.280 273 C CA -0.592 58.392 59.018 -0.056 0.000 1.746 273 C CB -0.570 27.057 27.740 -0.188 0.000 2.328 273 C HN 0.477 nan 8.230 nan 0.000 0.521 274 R N 4.782 125.284 120.500 0.004 0.000 2.457 274 R HA 0.411 4.751 4.340 -0.001 0.000 0.284 274 R C -0.233 176.080 176.300 0.022 0.000 1.024 274 R CA -0.453 55.664 56.100 0.029 0.000 1.025 274 R CB 0.875 31.195 30.300 0.034 0.000 1.063 274 R HN 0.734 nan 8.270 nan 0.000 0.493 275 L N 1.845 123.080 121.223 0.020 0.000 3.062 275 L HA 0.235 4.574 4.340 -0.001 0.000 0.255 275 L C -0.422 176.481 176.870 0.055 0.000 1.274 275 L CA 0.067 54.908 54.840 0.001 0.000 1.047 275 L CB 0.618 42.641 42.059 -0.060 0.000 1.402 275 L HN 0.646 nan 8.230 nan 0.000 0.550 276 T N -1.157 113.448 114.554 0.085 0.000 2.906 276 T HA 0.465 4.815 4.350 -0.001 0.000 0.295 276 T C -0.926 173.876 174.700 0.170 0.000 1.061 276 T CA -0.520 61.652 62.100 0.119 0.000 1.000 276 T CB 2.006 70.903 68.868 0.049 0.000 1.103 276 T HN 0.217 nan 8.240 nan 0.000 0.486 277 H N -0.590 118.550 119.070 0.117 0.000 2.690 277 H HA 0.627 5.182 4.556 -0.001 0.000 0.368 277 H C -0.959 174.443 175.328 0.124 0.000 1.150 277 H CA -0.900 55.228 56.048 0.132 0.000 1.174 277 H CB 1.097 30.977 29.762 0.196 0.000 1.684 277 H HN 0.634 nan 8.280 nan 0.000 0.538 278 T N 0.693 115.291 114.554 0.073 0.000 2.799 278 T HA 0.160 4.509 4.350 -0.001 0.000 0.286 278 T C 0.799 175.550 174.700 0.085 0.000 0.973 278 T CA -0.968 61.089 62.100 -0.071 0.000 1.035 278 T CB 0.684 69.502 68.868 -0.083 0.000 0.932 278 T HN 0.913 nan 8.240 nan 0.000 0.469 279 W N 1.586 122.916 121.300 0.050 0.000 3.005 279 W HA 0.309 4.968 4.660 -0.001 0.000 0.374 279 W C -0.489 176.070 176.519 0.066 0.000 1.076 279 W CA -0.843 56.561 57.345 0.099 0.000 1.794 279 W CB -0.067 29.445 29.460 0.088 0.000 1.113 279 W HN 0.514 nan 8.180 nan 0.000 0.584 280 Q N 2.034 121.555 119.800 -0.465 0.000 2.257 280 Q HA 0.265 4.605 4.340 -0.001 0.000 0.255 280 Q C 0.294 176.223 176.000 -0.117 0.000 0.920 280 Q CA 0.213 55.716 55.803 -0.499 0.000 0.927 280 Q CB 2.436 30.703 28.738 -0.785 0.000 1.229 280 Q HN -0.111 nan 8.270 nan 0.000 0.433 281 T N 0.523 115.081 114.554 0.007 0.000 3.485 281 T HA 0.144 4.494 4.350 -0.001 0.000 0.237 281 T C 0.712 175.409 174.700 -0.005 0.000 0.947 281 T CA -0.418 61.700 62.100 0.029 0.000 1.490 281 T CB 0.138 69.055 68.868 0.082 0.000 2.655 281 T HN 0.495 nan 8.240 nan 0.000 0.416 282 N N -0.224 118.488 118.700 0.019 0.000 2.181 282 N HA 0.157 4.896 4.740 -0.001 0.000 0.207 282 N C 1.186 176.713 175.510 0.030 0.000 1.182 282 N CA -0.018 53.034 53.050 0.003 0.000 0.893 282 N CB 0.665 39.153 38.487 0.002 0.000 1.032 282 N HN 0.147 nan 8.380 nan 0.000 0.513 283 R N 0.281 120.818 120.500 0.061 0.000 2.362 283 R HA 0.298 4.637 4.340 -0.001 0.000 0.227 283 R C 0.408 176.778 176.300 0.117 0.000 0.905 283 R CA 0.055 56.205 56.100 0.084 0.000 1.067 283 R CB 0.639 30.993 30.300 0.090 0.000 1.078 283 R HN -0.024 nan 8.270 nan 0.000 0.516 284 A N 1.131 124.027 122.820 0.126 0.000 2.855 284 A HA 0.433 4.752 4.320 -0.001 0.000 0.301 284 A C -0.275 177.370 177.584 0.102 0.000 1.076 284 A CA -0.307 51.842 52.037 0.187 0.000 1.004 284 A CB 0.234 19.452 19.000 0.363 0.000 1.152 284 A HN 0.041 nan 8.150 nan 0.000 0.531 285 L N 0.299 121.578 121.223 0.094 0.000 2.404 285 L HA 0.669 5.009 4.340 -0.001 0.000 0.272 285 L C 0.600 177.566 176.870 0.161 0.000 0.980 285 L CA -0.061 54.847 54.840 0.113 0.000 0.836 285 L CB 1.631 43.684 42.059 -0.010 0.000 1.238 285 L HN 0.692 nan 8.230 nan 0.000 0.408 286 G N 2.427 111.377 108.800 0.249 0.000 2.500 286 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.209 286 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.209 286 G C -1.320 173.660 174.900 0.133 0.000 1.283 286 G CA -0.797 44.434 45.100 0.219 0.000 0.960 286 G HN 0.470 nan 8.290 nan 0.000 0.528 287 L N 3.111 124.400 121.223 0.110 0.000 2.363 287 L HA 0.563 4.903 4.340 -0.001 0.000 0.286 287 L C -1.024 175.904 176.870 0.096 0.000 1.106 287 L CA -1.300 53.594 54.840 0.091 0.000 0.859 287 L CB -0.088 42.018 42.059 0.078 0.000 1.223 287 L HN 0.567 nan 8.230 nan 0.000 0.446 288 P HA 0.259 nan 4.420 nan 0.000 0.271 288 P C -2.530 174.832 177.300 0.103 0.000 1.244 288 P CA -0.919 62.237 63.100 0.095 0.000 0.793 288 P CB -0.611 31.141 31.700 0.087 0.000 0.984 289 P HA 0.097 nan 4.420 nan 0.000 0.272 289 P C -0.800 176.594 177.300 0.156 0.000 1.254 289 P CA -0.045 63.128 63.100 0.121 0.000 0.795 289 P CB 0.216 31.973 31.700 0.095 0.000 1.022 290 F N 0.845 120.815 119.950 0.033 0.000 2.404 290 F HA 0.365 4.891 4.527 -0.001 0.000 0.354 290 F C -0.436 175.382 175.800 0.029 0.000 1.122 290 F CA -0.798 57.219 58.000 0.028 0.000 1.080 290 F CB 0.342 39.356 39.000 0.024 0.000 1.131 290 F HN 0.008 nan 8.300 nan 0.000 0.471 291 L N 7.315 128.204 121.223 -0.557 0.000 2.312 291 L HA 0.215 4.555 4.340 -0.001 0.000 0.287 291 L C 0.637 177.123 176.870 -0.640 0.000 1.091 291 L CA -0.183 54.404 54.840 -0.421 0.000 0.846 291 L CB 0.274 42.180 42.059 -0.256 0.000 1.219 291 L HN 0.713 nan 8.230 nan 0.000 0.439 292 N N 0.457 118.956 118.700 -0.334 0.000 2.453 292 N HA -0.114 4.626 4.740 -0.001 0.000 0.183 292 N C 0.433 175.881 175.510 -0.103 0.000 1.041 292 N CA 0.563 53.532 53.050 -0.134 0.000 0.900 292 N CB 0.190 38.725 38.487 0.080 0.000 0.961 292 N HN 0.456 nan 8.380 nan 0.000 0.443 293 S N -0.188 115.446 115.700 -0.111 0.000 2.557 293 S HA 0.607 5.077 4.470 -0.001 0.000 0.291 293 S C -1.373 173.183 174.600 -0.074 0.000 1.116 293 S CA -0.846 57.316 58.200 -0.064 0.000 0.992 293 S CB 0.496 63.684 63.200 -0.021 0.000 1.028 293 S HN 0.026 nan 8.310 nan 0.000 0.484 294 L N 4.400 125.584 121.223 -0.064 0.000 2.354 294 L HA 0.626 4.966 4.340 -0.001 0.000 0.264 294 L C -2.093 174.752 176.870 -0.041 0.000 1.008 294 L CA -2.385 52.420 54.840 -0.059 0.000 0.819 294 L CB 1.836 43.850 42.059 -0.075 0.000 1.339 294 L HN 0.494 nan 8.230 nan 0.000 0.420 295 P HA 0.083 nan 4.420 nan 0.000 0.269 295 P C -0.676 176.597 177.300 -0.046 0.000 1.217 295 P CA -0.188 62.883 63.100 -0.049 0.000 0.783 295 P CB 0.624 32.280 31.700 -0.073 0.000 0.898 296 Q N -0.580 119.195 119.800 -0.042 0.000 2.171 296 Q HA 0.198 4.538 4.340 -0.001 0.000 0.218 296 Q C -0.103 175.873 176.000 -0.039 0.000 0.822 296 Q CA -0.013 55.768 55.803 -0.036 0.000 0.987 296 Q CB 0.487 29.209 28.738 -0.027 0.000 1.144 296 Q HN 0.620 nan 8.270 nan 0.000 0.494 297 S N -1.058 114.613 115.700 -0.049 0.000 2.636 297 S HA 0.352 4.822 4.470 -0.001 0.000 0.268 297 S C -1.042 173.517 174.600 -0.068 0.000 1.159 297 S CA -1.140 57.029 58.200 -0.052 0.000 0.815 297 S CB 1.434 64.606 63.200 -0.046 0.000 1.130 297 S HN 0.076 nan 8.310 nan 0.000 0.471 298 E N -0.185 119.976 120.200 -0.066 0.000 2.349 298 E HA 0.592 4.941 4.350 -0.001 0.000 0.262 298 E C 0.066 176.610 176.600 -0.093 0.000 1.088 298 E CA -0.483 55.871 56.400 -0.077 0.000 0.899 298 E CB 0.958 30.621 29.700 -0.061 0.000 1.044 298 E HN 1.148 nan 8.360 nan 0.000 0.420 299 G N -0.151 108.580 108.800 -0.115 0.000 2.350 299 G HA2 0.181 4.141 3.960 -0.001 0.000 0.274 299 G HA3 0.181 4.141 3.960 -0.001 0.000 0.274 299 G C -0.139 174.637 174.900 -0.207 0.000 1.621 299 G CA -0.366 44.652 45.100 -0.137 0.000 0.935 299 G HN 0.500 nan 8.290 nan 0.000 0.694 300 A N 1.186 123.900 122.820 -0.177 0.000 2.263 300 A HA 0.442 4.762 4.320 -0.001 0.000 0.205 300 A C 1.612 178.970 177.584 -0.377 0.000 1.226 300 A CA 1.879 53.793 52.037 -0.205 0.000 0.810 300 A CB -0.181 18.763 19.000 -0.093 0.000 0.784 300 A HN 1.165 nan 8.150 nan 0.000 0.486 301 T N -0.644 113.619 114.554 -0.484 0.000 3.170 301 T HA 0.137 4.486 4.350 -0.001 0.000 0.288 301 T C -0.170 174.041 174.700 -0.816 0.000 0.992 301 T CA -0.314 61.391 62.100 -0.657 0.000 0.909 301 T CB -0.163 68.582 68.868 -0.206 0.000 1.133 301 T HN 0.477 nan 8.240 nan 0.000 0.530 302 N N 1.885 120.147 118.700 -0.730 0.000 2.678 302 N HA 0.462 5.202 4.740 -0.001 0.000 0.231 302 N C -1.321 173.909 175.510 -0.466 0.000 1.038 302 N CA -0.361 52.425 53.050 -0.441 0.000 0.932 302 N CB 0.286 38.630 38.487 -0.237 0.000 1.176 302 N HN 0.141 nan 8.380 nan 0.000 0.511 303 F N 0.198 120.134 119.950 -0.023 0.000 2.404 303 F HA 0.487 5.014 4.527 -0.001 0.000 0.339 303 F C 1.434 177.216 175.800 -0.030 0.000 1.105 303 F CA -1.216 56.769 58.000 -0.025 0.000 1.087 303 F CB 1.139 40.128 39.000 -0.019 0.000 1.143 303 F HN 0.250 nan 8.300 nan 0.000 0.491 304 G N 2.144 111.031 108.800 0.145 0.000 2.351 304 G HA2 0.167 4.126 3.960 -0.001 0.000 0.287 304 G HA3 0.167 4.126 3.960 -0.001 0.000 0.287 304 G C -0.959 173.972 174.900 0.052 0.000 1.159 304 G CA -0.444 44.686 45.100 0.050 0.000 0.929 304 G HN 0.659 nan 8.290 nan 0.000 0.435 305 D N 2.559 122.979 120.400 0.033 0.000 2.177 305 D HA 0.173 4.813 4.640 -0.001 0.000 0.247 305 D C 1.433 177.730 176.300 -0.005 0.000 1.063 305 D CA -0.626 53.389 54.000 0.023 0.000 0.867 305 D CB 1.395 42.214 40.800 0.032 0.000 1.168 305 D HN 0.231 nan 8.370 nan 0.000 0.445 306 I N 2.524 123.096 120.570 0.004 0.000 2.076 306 I HA -0.161 4.008 4.170 -0.001 0.000 0.237 306 I C 1.726 177.859 176.117 0.027 0.000 1.059 306 I CA 1.450 62.756 61.300 0.010 0.000 1.317 306 I CB -0.444 37.580 38.000 0.040 0.000 1.037 306 I HN 0.769 nan 8.210 nan 0.000 0.398 307 G N 0.416 109.239 108.800 0.038 0.000 2.141 307 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.164 307 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.164 307 G C -0.196 174.737 174.900 0.055 0.000 1.009 307 G CA -0.091 45.035 45.100 0.044 0.000 0.677 307 G HN 0.218 nan 8.290 nan 0.000 0.508 308 V N -0.381 119.568 119.914 0.058 0.000 3.078 308 V HA 0.587 4.707 4.120 -0.001 0.000 0.311 308 V C 0.315 176.443 176.094 0.056 0.000 1.138 308 V CA -0.996 61.339 62.300 0.057 0.000 1.007 308 V CB 2.017 33.881 31.823 0.068 0.000 1.045 308 V HN 0.336 nan 8.190 nan 0.000 0.432 309 Q N 0.429 120.259 119.800 0.049 0.000 2.299 309 Q HA 0.266 4.606 4.340 -0.001 0.000 0.246 309 Q C 0.820 176.860 176.000 0.066 0.000 0.935 309 Q CA -0.193 55.643 55.803 0.054 0.000 0.887 309 Q CB 1.195 29.953 28.738 0.033 0.000 1.223 309 Q HN 0.653 nan 8.270 nan 0.000 0.439 310 Q N 1.071 120.937 119.800 0.110 0.000 2.119 310 Q HA -0.174 4.166 4.340 -0.001 0.000 0.201 310 Q C 0.110 176.153 176.000 0.071 0.000 0.972 310 Q CA 1.645 57.554 55.803 0.177 0.000 0.847 310 Q CB 0.083 29.033 28.738 0.353 0.000 0.903 310 Q HN 0.685 nan 8.270 nan 0.000 0.433 311 D N -0.908 119.435 120.400 -0.094 0.000 2.722 311 D HA 0.108 4.748 4.640 -0.001 0.000 0.239 311 D C 0.220 176.438 176.300 -0.136 0.000 1.249 311 D CA -0.075 53.744 54.000 -0.303 0.000 0.830 311 D CB 0.199 40.658 40.800 -0.569 0.000 1.025 311 D HN -0.066 nan 8.370 nan 0.000 0.486 312 K N -0.081 120.287 120.400 -0.054 0.000 2.652 312 K HA 0.131 4.450 4.320 -0.001 0.000 0.169 312 K C -0.260 176.342 176.600 0.005 0.000 1.238 312 K CA -0.516 55.756 56.287 -0.024 0.000 1.147 312 K CB 0.925 33.416 32.500 -0.015 0.000 0.985 312 K HN 0.017 nan 8.250 nan 0.000 0.508 313 R N 1.505 122.015 120.500 0.017 0.000 2.404 313 R HA 0.345 4.684 4.340 -0.001 0.000 0.291 313 R C -0.047 176.271 176.300 0.030 0.000 1.025 313 R CA -0.535 55.588 56.100 0.037 0.000 0.991 313 R CB 1.131 31.467 30.300 0.060 0.000 1.053 313 R HN -0.038 nan 8.270 nan 0.000 0.479 314 R N 0.718 121.237 120.500 0.032 0.000 2.531 314 R HA 0.553 4.892 4.340 -0.001 0.000 0.273 314 R C 0.352 176.671 176.300 0.032 0.000 1.070 314 R CA -0.095 56.020 56.100 0.024 0.000 1.112 314 R CB 1.157 31.467 30.300 0.017 0.000 1.049 314 R HN 0.888 nan 8.270 nan 0.000 0.508 315 G N -0.162 108.654 108.800 0.026 0.000 2.325 315 G HA2 0.049 4.009 3.960 -0.001 0.000 0.285 315 G HA3 0.049 4.009 3.960 -0.001 0.000 0.285 315 G C -1.687 173.228 174.900 0.025 0.000 1.303 315 G CA -0.969 44.149 45.100 0.030 0.000 0.970 315 G HN 0.421 nan 8.290 nan 0.000 0.490 316 V N 0.240 120.170 119.914 0.027 0.000 2.680 316 V HA 0.869 4.988 4.120 -0.001 0.000 0.309 316 V C 0.218 176.324 176.094 0.020 0.000 1.052 316 V CA -0.231 62.081 62.300 0.019 0.000 0.908 316 V CB 1.726 33.558 31.823 0.015 0.000 1.001 316 V HN 1.088 nan 8.190 nan 0.000 0.431 317 T N 2.439 116.999 114.554 0.011 0.000 2.901 317 T HA 0.351 4.701 4.350 -0.001 0.000 0.293 317 T C -0.095 174.597 174.700 -0.014 0.000 1.084 317 T CA -0.447 61.655 62.100 0.004 0.000 1.008 317 T CB 2.072 70.945 68.868 0.008 0.000 1.170 317 T HN 0.695 nan 8.240 nan 0.000 0.509 318 Q N 0.894 120.678 119.800 -0.027 0.000 2.237 318 Q HA 0.418 4.757 4.340 -0.001 0.000 0.252 318 Q C -0.739 175.227 176.000 -0.058 0.000 0.877 318 Q CA -0.010 55.770 55.803 -0.038 0.000 1.011 318 Q CB -0.155 28.560 28.738 -0.038 0.000 1.118 318 Q HN 0.533 nan 8.270 nan 0.000 0.458 319 M N -1.640 117.922 119.600 -0.064 0.000 2.530 319 M HA 0.481 4.961 4.480 -0.001 0.000 0.307 319 M C 0.444 176.710 176.300 -0.056 0.000 1.161 319 M CA -0.622 54.622 55.300 -0.092 0.000 0.903 319 M CB 2.185 34.687 32.600 -0.164 0.000 1.711 319 M HN 0.100 nan 8.290 nan 0.000 0.451 320 G N 0.366 109.136 108.800 -0.051 0.000 3.228 320 G HA2 0.142 4.101 3.960 -0.001 0.000 0.245 320 G HA3 0.142 4.101 3.960 -0.001 0.000 0.245 320 G C 0.514 175.406 174.900 -0.014 0.000 1.051 320 G CA -0.128 44.957 45.100 -0.025 0.000 0.809 320 G HN 0.708 nan 8.290 nan 0.000 0.531 321 N N 0.769 119.454 118.700 -0.024 0.000 2.322 321 N HA -0.020 4.720 4.740 -0.001 0.000 0.186 321 N C 1.450 176.993 175.510 0.055 0.000 1.037 321 N CA 1.216 54.274 53.050 0.014 0.000 0.869 321 N CB -0.159 38.332 38.487 0.008 0.000 1.036 321 N HN 0.358 nan 8.380 nan 0.000 0.439 322 T N -0.686 113.900 114.554 0.054 0.000 2.729 322 T HA 0.199 4.549 4.350 -0.001 0.000 0.298 322 T C 0.250 174.989 174.700 0.066 0.000 1.013 322 T CA -0.058 62.140 62.100 0.164 0.000 0.957 322 T CB 1.212 70.239 68.868 0.263 0.000 1.130 322 T HN 0.019 nan 8.240 nan 0.000 0.526 323 D N -1.634 118.783 120.400 0.027 0.000 2.516 323 D HA 0.101 4.741 4.640 -0.001 0.000 0.241 323 D C -0.836 175.411 176.300 -0.089 0.000 1.246 323 D CA -0.060 53.897 54.000 -0.072 0.000 0.808 323 D CB 0.310 41.018 40.800 -0.153 0.000 1.147 323 D HN 0.486 nan 8.370 nan 0.000 0.527 324 Y N 1.450 121.819 120.300 0.115 0.000 2.436 324 Y HA 0.323 4.872 4.550 -0.001 0.000 0.343 324 Y C 0.752 176.719 175.900 0.111 0.000 1.008 324 Y CA 0.023 58.203 58.100 0.134 0.000 1.241 324 Y CB 0.555 39.151 38.460 0.227 0.000 1.153 324 Y HN -0.191 nan 8.280 nan 0.000 0.521 325 I N 4.572 125.276 120.570 0.223 0.000 2.330 325 I HA 0.314 4.484 4.170 -0.001 0.000 0.286 325 I C -0.115 176.097 176.117 0.159 0.000 1.025 325 I CA -0.135 61.257 61.300 0.154 0.000 1.197 325 I CB 0.831 38.890 38.000 0.099 0.000 1.358 325 I HN 0.551 nan 8.210 nan 0.000 0.467 326 T N 3.428 118.075 114.554 0.156 0.000 2.910 326 T HA 0.243 4.592 4.350 -0.001 0.000 0.287 326 T C 0.946 175.711 174.700 0.108 0.000 1.050 326 T CA -0.626 61.555 62.100 0.135 0.000 1.011 326 T CB 2.138 71.098 68.868 0.154 0.000 1.195 326 T HN 0.407 nan 8.240 nan 0.000 0.540 327 E N 0.481 120.738 120.200 0.095 0.000 2.338 327 E HA 0.001 4.351 4.350 -0.001 0.000 0.197 327 E C 1.708 178.359 176.600 0.085 0.000 1.007 327 E CA 0.499 56.949 56.400 0.083 0.000 0.849 327 E CB -0.101 29.644 29.700 0.075 0.000 0.774 327 E HN 0.624 nan 8.360 nan 0.000 0.506 328 A N -0.110 122.773 122.820 0.105 0.000 2.140 328 A HA 0.067 4.387 4.320 -0.001 0.000 0.209 328 A C 2.192 179.832 177.584 0.094 0.000 1.181 328 A CA 0.632 52.735 52.037 0.109 0.000 0.824 328 A CB 0.127 19.231 19.000 0.174 0.000 0.879 328 A HN 0.104 nan 8.150 nan 0.000 0.480 329 T N 0.221 114.841 114.554 0.111 0.000 2.866 329 T HA 0.214 4.563 4.350 -0.001 0.000 0.250 329 T C 0.912 175.643 174.700 0.051 0.000 1.033 329 T CA 0.098 62.253 62.100 0.092 0.000 1.145 329 T CB -0.285 68.667 68.868 0.139 0.000 0.866 329 T HN 0.291 nan 8.240 nan 0.000 0.434 330 I N 2.518 123.125 120.570 0.061 0.000 3.017 330 I HA -0.079 4.091 4.170 -0.001 0.000 0.310 330 I C 0.673 176.804 176.117 0.022 0.000 1.220 330 I CA 0.297 61.623 61.300 0.045 0.000 1.450 330 I CB 0.205 38.238 38.000 0.054 0.000 1.317 330 I HN 0.338 nan 8.210 nan 0.000 0.570 331 M N 6.826 126.434 119.600 0.013 0.000 2.184 331 M HA 0.170 4.650 4.480 -0.001 0.000 0.351 331 M C -0.527 175.769 176.300 -0.008 0.000 1.395 331 M CA -0.044 55.254 55.300 -0.004 0.000 1.117 331 M CB 0.133 32.729 32.600 -0.006 0.000 1.708 331 M HN 0.455 nan 8.290 nan 0.000 0.468 332 R N 5.268 125.752 120.500 -0.026 0.000 2.668 332 R HA 0.450 4.790 4.340 -0.001 0.000 0.279 332 R C -1.816 174.433 176.300 -0.085 0.000 0.976 332 R CA -1.920 54.147 56.100 -0.054 0.000 0.978 332 R CB -0.157 30.109 30.300 -0.058 0.000 1.133 332 R HN 0.518 nan 8.270 nan 0.000 0.484 333 P HA -0.084 nan 4.420 nan 0.000 0.216 333 P C -0.070 177.152 177.300 -0.130 0.000 1.150 333 P CA 1.409 64.417 63.100 -0.153 0.000 0.837 333 P CB 0.388 31.918 31.700 -0.282 0.000 0.786 334 A N -1.819 120.917 122.820 -0.140 0.000 3.201 334 A HA 0.579 4.899 4.320 -0.001 0.000 0.303 334 A C -1.500 176.037 177.584 -0.078 0.000 1.173 334 A CA -0.519 51.458 52.037 -0.100 0.000 0.621 334 A CB 0.556 19.495 19.000 -0.101 0.000 1.468 334 A HN -0.048 nan 8.150 nan 0.000 0.632 335 E N -0.186 119.982 120.200 -0.052 0.000 2.256 335 E HA 0.568 4.918 4.350 -0.001 0.000 0.268 335 E C -1.812 174.790 176.600 0.002 0.000 0.877 335 E CA -0.557 55.831 56.400 -0.020 0.000 0.757 335 E CB 2.080 31.781 29.700 0.001 0.000 1.183 335 E HN 0.435 nan 8.360 nan 0.000 0.418 336 V N 4.350 124.265 119.914 0.002 0.000 2.432 336 V HA 0.549 4.669 4.120 -0.001 0.000 0.275 336 V C 0.852 176.970 176.094 0.039 0.000 1.043 336 V CA 0.602 62.910 62.300 0.013 0.000 0.925 336 V CB 0.412 32.228 31.823 -0.013 0.000 0.985 336 V HN 0.997 nan 8.190 nan 0.000 0.466 337 G N 4.586 113.428 108.800 0.070 0.000 2.749 337 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.242 337 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.242 337 G C -0.846 174.152 174.900 0.163 0.000 1.364 337 G CA 0.517 45.655 45.100 0.063 0.000 0.888 337 G HN 1.615 nan 8.290 nan 0.000 0.566 338 Y N -3.080 117.258 120.300 0.063 0.000 2.805 338 Y HA 0.853 5.403 4.550 -0.001 0.000 0.323 338 Y C 0.030 175.948 175.900 0.029 0.000 1.279 338 Y CA -0.763 57.382 58.100 0.075 0.000 1.103 338 Y CB 1.029 39.568 38.460 0.131 0.000 1.324 338 Y HN 0.874 nan 8.280 nan 0.000 0.498 339 S N 0.725 116.582 115.700 0.262 0.000 2.756 339 S HA 0.848 5.317 4.470 -0.001 0.000 0.303 339 S C -0.870 173.869 174.600 0.231 0.000 1.135 339 S CA -0.454 57.838 58.200 0.154 0.000 1.066 339 S CB 0.977 64.304 63.200 0.213 0.000 1.008 339 S HN 0.996 nan 8.310 nan 0.000 0.482 340 A N 3.886 126.842 122.820 0.226 0.000 2.387 340 A HA 1.002 5.322 4.320 -0.001 0.000 0.303 340 A C -3.019 174.684 177.584 0.199 0.000 1.145 340 A CA -2.306 49.865 52.037 0.223 0.000 0.801 340 A CB 0.416 19.616 19.000 0.332 0.000 1.342 340 A HN 0.476 nan 8.150 nan 0.000 0.440 341 P HA 0.309 nan 4.420 nan 0.000 0.268 341 P C -1.491 176.004 177.300 0.324 0.000 1.205 341 P CA 0.617 63.869 63.100 0.254 0.000 0.771 341 P CB -0.024 31.773 31.700 0.162 0.000 0.858 342 Y N 1.591 121.895 120.300 0.007 0.000 2.329 342 Y HA 0.544 5.094 4.550 -0.001 0.000 0.328 342 Y C -0.874 174.985 175.900 -0.070 0.000 0.992 342 Y CA -2.201 55.857 58.100 -0.070 0.000 1.151 342 Y CB 0.225 38.544 38.460 -0.235 0.000 1.150 342 Y HN 0.306 nan 8.280 nan 0.000 0.450 343 Y N 0.746 121.132 120.300 0.143 0.000 3.455 343 Y HA -0.200 4.349 4.550 -0.001 0.000 0.216 343 Y C 0.329 176.352 175.900 0.206 0.000 1.749 343 Y CA 0.054 58.263 58.100 0.183 0.000 1.633 343 Y CB -1.986 36.637 38.460 0.271 0.000 1.616 343 Y HN 0.768 nan 8.280 nan 0.000 0.548 344 S N 1.238 117.091 115.700 0.256 0.000 4.120 344 S HA 0.263 4.733 4.470 -0.001 0.000 0.215 344 S C 0.272 174.907 174.600 0.058 0.000 1.347 344 S CA -0.282 58.007 58.200 0.148 0.000 0.889 344 S CB -0.755 62.507 63.200 0.102 0.000 1.585 344 S HN 0.257 nan 8.310 nan 0.000 0.447 345 F N 3.159 123.110 119.950 0.001 0.000 2.556 345 F HA 0.131 4.658 4.527 -0.001 0.000 0.344 345 F C 1.289 176.972 175.800 -0.195 0.000 1.255 345 F CA -0.121 57.828 58.000 -0.086 0.000 1.091 345 F CB 0.031 38.997 39.000 -0.058 0.000 1.325 345 F HN 0.457 nan 8.300 nan 0.000 0.627 346 E N 1.768 121.798 120.200 -0.284 0.000 3.196 346 E HA 0.738 5.087 4.350 -0.001 0.000 0.268 346 E C -0.383 175.833 176.600 -0.639 0.000 1.430 346 E CA -0.590 55.543 56.400 -0.445 0.000 1.176 346 E CB 0.727 30.092 29.700 -0.559 0.000 1.228 346 E HN 0.522 nan 8.360 nan 0.000 0.730 347 A N -0.156 122.305 122.820 -0.598 0.000 2.581 347 A HA 0.484 4.803 4.320 -0.001 0.000 0.294 347 A C -0.885 176.682 177.584 -0.028 0.000 1.035 347 A CA -0.363 51.490 52.037 -0.307 0.000 0.684 347 A CB 1.581 20.526 19.000 -0.092 0.000 1.282 347 A HN 0.353 nan 8.150 nan 0.000 0.417 348 S N -1.478 114.313 115.700 0.152 0.000 3.359 348 S HA 0.650 5.120 4.470 -0.001 0.000 0.323 348 S C 1.424 176.068 174.600 0.073 0.000 1.143 348 S CA 0.778 59.058 58.200 0.134 0.000 0.989 348 S CB 0.415 63.734 63.200 0.197 0.000 1.375 348 S HN 1.661 nan 8.310 nan 0.000 0.728 349 T N 0.729 115.290 114.554 0.012 0.000 3.007 349 T HA 0.013 4.362 4.350 -0.001 0.000 0.270 349 T C 1.123 175.756 174.700 -0.112 0.000 1.107 349 T CA 0.919 62.993 62.100 -0.043 0.000 1.118 349 T CB -0.167 68.648 68.868 -0.089 0.000 0.889 349 T HN 0.323 nan 8.240 nan 0.000 0.506 350 Q N 0.876 120.583 119.800 -0.153 0.000 2.391 350 Q HA 0.443 4.782 4.340 -0.001 0.000 0.211 350 Q C 1.235 177.335 176.000 0.167 0.000 0.908 350 Q CA 0.763 56.351 55.803 -0.359 0.000 0.920 350 Q CB 0.742 29.070 28.738 -0.683 0.000 1.056 350 Q HN 0.727 nan 8.270 nan 0.000 0.523 351 G N 1.101 110.029 108.800 0.213 0.000 2.351 351 G HA2 0.045 4.004 3.960 -0.001 0.000 0.353 351 G HA3 0.045 4.004 3.960 -0.001 0.000 0.353 351 G C -3.069 171.999 174.900 0.279 0.000 1.358 351 G CA -1.135 44.130 45.100 0.274 0.000 0.995 351 G HN -0.151 nan 8.290 nan 0.000 0.611 352 P HA 0.569 nan 4.420 nan 0.000 0.269 352 P C -0.607 176.843 177.300 0.251 0.000 1.215 352 P CA 0.156 63.318 63.100 0.103 0.000 0.780 352 P CB 0.148 31.918 31.700 0.117 0.000 0.898 353 F N -1.493 118.551 119.950 0.158 0.000 2.654 353 F HA 0.486 5.013 4.527 -0.001 0.000 0.314 353 F C -0.588 175.132 175.800 -0.134 0.000 1.116 353 F CA -1.520 56.511 58.000 0.051 0.000 1.017 353 F CB 0.825 39.840 39.000 0.026 0.000 1.285 353 F HN 0.038 nan 8.300 nan 0.000 0.448 354 K N 1.471 121.698 120.400 -0.289 0.000 2.397 354 K HA 0.197 4.516 4.320 -0.001 0.000 0.265 354 K C -0.577 175.952 176.600 -0.118 0.000 0.982 354 K CA 0.235 56.130 56.287 -0.653 0.000 0.931 354 K CB 0.931 32.954 32.500 -0.796 0.000 0.943 354 K HN 0.930 nan 8.250 nan 0.000 0.501 355 T N 5.688 120.171 114.554 -0.118 0.000 2.733 355 T HA 0.280 4.629 4.350 -0.001 0.000 0.294 355 T C -2.232 172.496 174.700 0.046 0.000 0.956 355 T CA -1.338 60.783 62.100 0.035 0.000 0.987 355 T CB 1.210 70.102 68.868 0.040 0.000 0.920 355 T HN 0.439 nan 8.240 nan 0.000 0.470 356 P HA 0.318 nan 4.420 nan 0.000 0.271 356 P C -0.670 176.679 177.300 0.081 0.000 1.238 356 P CA -0.416 62.712 63.100 0.047 0.000 0.794 356 P CB 0.631 32.346 31.700 0.026 0.000 0.959 357 I N -0.386 120.235 120.570 0.085 0.000 2.680 357 I HA 0.290 4.460 4.170 -0.001 0.000 0.291 357 I C -0.796 175.366 176.117 0.075 0.000 1.244 357 I CA -0.773 60.598 61.300 0.118 0.000 1.042 357 I CB 2.013 40.050 38.000 0.061 0.000 1.277 357 I HN 0.330 nan 8.210 nan 0.000 0.423 358 A N 5.555 128.437 122.820 0.103 0.000 2.582 358 A HA 0.832 5.151 4.320 -0.001 0.000 0.336 358 A C -0.024 177.516 177.584 -0.073 0.000 1.445 358 A CA -0.233 51.838 52.037 0.057 0.000 0.997 358 A CB 0.197 19.279 19.000 0.138 0.000 1.148 358 A HN 0.784 nan 8.150 nan 0.000 0.514 359 A N 1.386 124.172 122.820 -0.056 0.000 2.386 359 A HA 0.921 5.240 4.320 -0.001 0.000 0.308 359 A C 0.651 178.239 177.584 0.006 0.000 1.128 359 A CA -0.045 51.940 52.037 -0.086 0.000 0.789 359 A CB 1.153 20.090 19.000 -0.105 0.000 1.325 359 A HN 1.149 nan 8.150 nan 0.000 0.437 360 G N -0.349 108.458 108.800 0.011 0.000 3.157 360 G HA2 0.473 4.433 3.960 -0.001 0.000 0.206 360 G HA3 0.473 4.433 3.960 -0.001 0.000 0.206 360 G C 0.456 175.396 174.900 0.066 0.000 1.903 360 G CA 0.051 45.191 45.100 0.067 0.000 0.771 360 G HN 0.756 nan 8.290 nan 0.000 0.750 361 R N -1.861 118.683 120.500 0.073 0.000 2.942 361 R HA 0.621 4.961 4.340 -0.001 0.000 0.212 361 R C -0.023 176.312 176.300 0.058 0.000 1.562 361 R CA 0.336 56.479 56.100 0.072 0.000 0.941 361 R CB 0.878 31.235 30.300 0.095 0.000 2.365 361 R HN 1.020 nan 8.270 nan 0.000 0.524 362 G N -0.630 108.218 108.800 0.079 0.000 2.519 362 G HA2 0.376 4.335 3.960 -0.001 0.000 0.229 362 G HA3 0.376 4.335 3.960 -0.001 0.000 0.229 362 G C -0.453 174.534 174.900 0.145 0.000 1.333 362 G CA -0.311 44.843 45.100 0.090 0.000 0.939 362 G HN 0.816 nan 8.290 nan 0.000 0.501 363 G N -1.076 107.800 108.800 0.128 0.000 2.316 363 G HA2 0.760 4.719 3.960 -0.001 0.000 0.296 363 G HA3 0.760 4.719 3.960 -0.001 0.000 0.296 363 G C 0.014 174.962 174.900 0.080 0.000 1.399 363 G CA 0.431 45.615 45.100 0.139 0.000 0.833 363 G HN 1.744 nan 8.290 nan 0.000 0.565 364 A N -0.047 122.800 122.820 0.045 0.000 2.466 364 A HA 0.548 4.867 4.320 -0.001 0.000 0.238 364 A C 0.582 178.198 177.584 0.054 0.000 1.074 364 A CA 0.199 52.254 52.037 0.030 0.000 0.774 364 A CB 0.187 19.190 19.000 0.004 0.000 1.015 364 A HN 0.618 nan 8.150 nan 0.000 0.498 365 Q N 0.535 120.359 119.800 0.041 0.000 2.274 365 Q HA 0.260 4.599 4.340 -0.001 0.000 0.280 365 Q C 0.745 176.777 176.000 0.054 0.000 1.047 365 Q CA 1.643 57.474 55.803 0.046 0.000 0.907 365 Q CB 0.229 28.986 28.738 0.031 0.000 1.171 365 Q HN 0.917 nan 8.270 nan 0.000 0.381 366 T N 1.365 115.957 114.554 0.063 0.000 4.712 366 T HA -0.187 4.163 4.350 -0.001 0.000 0.304 366 T C -0.169 174.578 174.700 0.078 0.000 1.250 366 T CA 1.258 63.398 62.100 0.067 0.000 2.371 366 T CB -0.839 68.064 68.868 0.059 0.000 1.829 366 T HN 0.681 nan 8.240 nan 0.000 0.953 367 D N 0.679 121.135 120.400 0.093 0.000 2.886 367 D HA 0.336 4.975 4.640 -0.001 0.000 0.355 367 D C 0.022 176.426 176.300 0.173 0.000 1.274 367 D CA -0.083 54.000 54.000 0.138 0.000 0.836 367 D CB 0.506 41.382 40.800 0.126 0.000 1.109 367 D HN 0.603 nan 8.370 nan 0.000 0.488 368 E N -0.127 120.143 120.200 0.116 0.000 2.393 368 E HA 0.300 4.650 4.350 -0.001 0.000 0.265 368 E C -0.402 176.214 176.600 0.026 0.000 0.941 368 E CA -0.647 55.804 56.400 0.086 0.000 0.801 368 E CB 1.644 31.386 29.700 0.070 0.000 1.313 368 E HN -0.003 nan 8.360 nan 0.000 0.435 369 N N 0.730 119.419 118.700 -0.018 0.000 2.380 369 N HA -0.026 4.714 4.740 -0.001 0.000 0.255 369 N C 0.015 175.513 175.510 -0.020 0.000 1.158 369 N CA -0.023 52.989 53.050 -0.063 0.000 0.878 369 N CB 0.206 38.592 38.487 -0.169 0.000 1.138 369 N HN 0.390 nan 8.380 nan 0.000 0.509 370 Q N -0.843 118.971 119.800 0.024 0.000 2.160 370 Q HA -0.325 4.014 4.340 -0.001 0.000 0.207 370 Q C 1.000 177.050 176.000 0.084 0.000 1.052 370 Q CA 2.056 57.895 55.803 0.060 0.000 1.106 370 Q CB -0.604 28.182 28.738 0.080 0.000 1.199 370 Q HN 0.635 nan 8.270 nan 0.000 0.449 371 A N -1.795 121.063 122.820 0.064 0.000 2.312 371 A HA 0.534 4.853 4.320 -0.001 0.000 0.215 371 A C 1.996 179.581 177.584 0.001 0.000 1.256 371 A CA 0.815 52.928 52.037 0.126 0.000 0.966 371 A CB 0.091 19.178 19.000 0.146 0.000 1.053 371 A HN 0.296 nan 8.150 nan 0.000 0.510 372 A N 1.358 124.088 122.820 -0.150 0.000 1.873 372 A HA -0.103 4.217 4.320 -0.001 0.000 0.215 372 A C 1.530 178.977 177.584 -0.229 0.000 1.186 372 A CA 1.728 53.536 52.037 -0.381 0.000 0.616 372 A CB -0.367 18.306 19.000 -0.545 0.000 0.823 372 A HN 0.554 nan 8.150 nan 0.000 0.442 373 D N -1.259 119.055 120.400 -0.142 0.000 2.368 373 D HA 0.275 4.915 4.640 -0.001 0.000 0.218 373 D C 0.763 177.037 176.300 -0.044 0.000 1.112 373 D CA 0.500 54.430 54.000 -0.117 0.000 0.834 373 D CB -0.601 40.145 40.800 -0.089 0.000 0.953 373 D HN 0.730 nan 8.370 nan 0.000 0.505 374 G N 1.628 110.428 108.800 0.000 0.000 2.434 374 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.224 374 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.224 374 G C -1.105 173.834 174.900 0.066 0.000 0.807 374 G CA -0.345 44.785 45.100 0.051 0.000 1.113 374 G HN 0.248 nan 8.290 nan 0.000 0.327 375 D N 3.568 124.017 120.400 0.081 0.000 2.329 375 D HA 0.496 5.135 4.640 -0.001 0.000 0.232 375 D C -1.380 174.973 176.300 0.090 0.000 1.088 375 D CA -1.018 53.047 54.000 0.109 0.000 0.835 375 D CB 1.436 42.298 40.800 0.104 0.000 1.078 375 D HN 0.303 nan 8.370 nan 0.000 0.495 376 P HA 0.235 nan 4.420 nan 0.000 0.270 376 P C -0.296 176.969 177.300 -0.059 0.000 1.223 376 P CA -0.406 62.685 63.100 -0.014 0.000 0.785 376 P CB 0.675 32.413 31.700 0.063 0.000 0.923 377 R N 0.980 121.310 120.500 -0.283 0.000 2.575 377 R HA 0.507 4.846 4.340 -0.001 0.000 0.293 377 R C -1.879 174.095 176.300 -0.544 0.000 0.983 377 R CA -0.610 55.320 56.100 -0.284 0.000 0.887 377 R CB 0.489 30.679 30.300 -0.183 0.000 1.184 377 R HN 0.388 nan 8.270 nan 0.000 0.445 378 Y N 2.004 122.043 120.300 -0.435 0.000 2.361 378 Y HA 0.706 5.255 4.550 -0.001 0.000 0.337 378 Y C -0.322 175.369 175.900 -0.348 0.000 0.965 378 Y CA -0.728 57.127 58.100 -0.407 0.000 1.091 378 Y CB 2.658 40.696 38.460 -0.703 0.000 1.182 378 Y HN 0.767 nan 8.280 nan 0.000 0.450 379 A N 5.268 128.046 122.820 -0.070 0.000 2.310 379 A HA 0.802 5.122 4.320 -0.001 0.000 0.304 379 A C -1.221 176.322 177.584 -0.069 0.000 1.231 379 A CA -0.469 51.432 52.037 -0.226 0.000 0.799 379 A CB -0.147 18.745 19.000 -0.181 0.000 1.162 379 A HN 0.641 nan 8.150 nan 0.000 0.486 380 F N 0.663 120.582 119.950 -0.052 0.000 2.814 380 F HA 0.988 5.514 4.527 -0.001 0.000 0.353 380 F C 0.370 176.159 175.800 -0.018 0.000 1.177 380 F CA -1.303 56.663 58.000 -0.057 0.000 1.036 380 F CB 1.153 40.116 39.000 -0.063 0.000 1.455 380 F HN 0.809 nan 8.300 nan 0.000 0.520 381 G N -0.111 108.844 108.800 0.258 0.000 2.717 381 G HA2 0.499 4.458 3.960 -0.001 0.000 0.300 381 G HA3 0.499 4.458 3.960 -0.001 0.000 0.300 381 G C -0.597 174.410 174.900 0.178 0.000 1.424 381 G CA -0.614 44.575 45.100 0.148 0.000 1.033 381 G HN 0.725 nan 8.290 nan 0.000 0.577 382 R N -0.404 120.182 120.500 0.143 0.000 2.458 382 R HA -0.278 4.062 4.340 -0.001 0.000 0.153 382 R C 1.728 178.089 176.300 0.102 0.000 0.893 382 R CA 2.977 59.135 56.100 0.098 0.000 1.817 382 R CB -1.240 29.093 30.300 0.054 0.000 0.994 382 R HN 0.665 nan 8.270 nan 0.000 0.638 383 Q N -0.585 119.258 119.800 0.072 0.000 2.282 383 Q HA 0.079 4.419 4.340 -0.001 0.000 0.206 383 Q C -0.396 175.179 176.000 -0.709 0.000 0.878 383 Q CA 0.227 55.929 55.803 -0.168 0.000 0.944 383 Q CB 0.560 29.165 28.738 -0.222 0.000 1.100 383 Q HN 0.599 nan 8.270 nan 0.000 0.509 384 H N -1.375 117.511 119.070 -0.306 0.000 3.038 384 H HA 0.340 4.895 4.556 -0.001 0.000 0.223 384 H C 0.119 174.907 175.328 -0.900 0.000 1.400 384 H CA 0.200 55.631 56.048 -1.027 0.000 1.153 384 H CB 0.819 30.095 29.762 -0.811 0.000 2.234 384 H HN 0.326 nan 8.280 nan 0.000 0.541 385 G N 1.148 109.740 108.800 -0.346 0.000 2.297 385 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.209 385 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.209 385 G C -0.888 174.188 174.900 0.293 0.000 1.267 385 G CA -0.427 44.620 45.100 -0.089 0.000 1.127 385 G HN 0.437 nan 8.290 nan 0.000 0.498 386 Q N -0.784 119.280 119.800 0.439 0.000 3.240 386 Q HA -0.169 4.171 4.340 -0.001 0.000 0.025 386 Q C -0.132 175.966 176.000 0.163 0.000 1.713 386 Q CA 1.086 57.065 55.803 0.294 0.000 0.238 386 Q CB 0.029 28.912 28.738 0.242 0.000 0.585 386 Q HN 0.781 nan 8.270 nan 0.000 0.322 387 K N 2.750 123.213 120.400 0.105 0.000 2.402 387 K HA -0.031 4.288 4.320 -0.001 0.000 0.279 387 K C 0.829 177.443 176.600 0.022 0.000 1.082 387 K CA 0.896 57.214 56.287 0.051 0.000 1.080 387 K CB 0.371 32.896 32.500 0.042 0.000 0.899 387 K HN 0.636 nan 8.250 nan 0.000 0.469 388 T N 1.378 115.918 114.554 -0.023 0.000 2.685 388 T HA -0.164 4.186 4.350 -0.001 0.000 0.268 388 T C 1.113 175.800 174.700 -0.021 0.000 1.034 388 T CA 2.067 64.136 62.100 -0.051 0.000 1.149 388 T CB -0.126 68.669 68.868 -0.122 0.000 0.860 388 T HN 0.731 nan 8.240 nan 0.000 0.449 389 T N 1.330 115.876 114.554 -0.012 0.000 3.783 389 T HA 0.408 4.758 4.350 -0.001 0.000 0.262 389 T C 0.094 174.794 174.700 0.000 0.000 1.381 389 T CA -0.583 61.514 62.100 -0.005 0.000 1.155 389 T CB -0.095 68.771 68.868 -0.003 0.000 1.256 389 T HN 0.015 nan 8.240 nan 0.000 0.807 390 T N 1.818 116.373 114.554 0.002 0.000 2.910 390 T HA 0.688 5.037 4.350 -0.001 0.000 0.279 390 T C 0.003 174.702 174.700 -0.002 0.000 0.989 390 T CA -0.537 61.565 62.100 0.003 0.000 0.968 390 T CB 1.611 70.485 68.868 0.009 0.000 1.135 390 T HN 0.465 nan 8.240 nan 0.000 0.562 391 T N -0.089 114.463 114.554 -0.004 0.000 2.900 391 T HA 0.687 5.036 4.350 -0.001 0.000 0.303 391 T C 0.085 174.779 174.700 -0.010 0.000 1.142 391 T CA 0.041 62.136 62.100 -0.007 0.000 1.007 391 T CB 1.483 70.347 68.868 -0.007 0.000 1.156 391 T HN 1.167 nan 8.240 nan 0.000 0.490 392 G N 1.583 110.376 108.800 -0.011 0.000 2.741 392 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.222 392 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.222 392 G C -1.080 173.810 174.900 -0.016 0.000 1.364 392 G CA -0.479 44.612 45.100 -0.015 0.000 0.866 392 G HN 0.813 nan 8.290 nan 0.000 0.555 393 E N 0.053 120.241 120.200 -0.021 0.000 2.914 393 E HA 0.483 4.832 4.350 -0.001 0.000 0.246 393 E C -1.057 175.523 176.600 -0.033 0.000 1.146 393 E CA -0.405 55.981 56.400 -0.024 0.000 0.803 393 E CB 1.356 31.043 29.700 -0.022 0.000 1.409 393 E HN 0.460 nan 8.360 nan 0.000 0.392 394 T N 2.521 117.052 114.554 -0.039 0.000 2.965 394 T HA 0.326 4.676 4.350 -0.001 0.000 0.306 394 T C -2.366 172.286 174.700 -0.079 0.000 0.991 394 T CA -1.405 60.663 62.100 -0.054 0.000 1.001 394 T CB 1.409 70.249 68.868 -0.046 0.000 0.984 394 T HN 0.127 nan 8.240 nan 0.000 0.446 395 P HA 0.287 nan 4.420 nan 0.000 0.269 395 P C -0.338 176.817 177.300 -0.242 0.000 1.215 395 P CA -0.349 62.641 63.100 -0.184 0.000 0.780 395 P CB 0.821 32.408 31.700 -0.188 0.000 0.898 396 E N 1.442 121.392 120.200 -0.416 0.000 2.221 396 E HA 0.561 4.911 4.350 -0.001 0.000 0.268 396 E C -0.487 175.681 176.600 -0.720 0.000 0.933 396 E CA -0.892 55.257 56.400 -0.418 0.000 0.809 396 E CB 1.150 30.683 29.700 -0.279 0.000 1.190 396 E HN 0.408 nan 8.360 nan 0.000 0.406 397 R N 1.702 121.997 120.500 -0.341 0.000 2.766 397 R HA 0.511 4.850 4.340 -0.001 0.000 0.270 397 R C -1.378 174.961 176.300 0.065 0.000 1.035 397 R CA -0.861 55.078 56.100 -0.267 0.000 0.911 397 R CB 0.578 30.709 30.300 -0.282 0.000 1.243 397 R HN 0.547 nan 8.270 nan 0.000 0.460 398 F N -2.247 117.713 119.950 0.017 0.000 2.608 398 F HA 0.546 5.072 4.527 -0.001 0.000 0.309 398 F C -0.994 174.759 175.800 -0.079 0.000 1.103 398 F CA -1.006 56.925 58.000 -0.116 0.000 0.954 398 F CB 2.235 40.947 39.000 -0.480 0.000 1.267 398 F HN 0.331 nan 8.300 nan 0.000 0.444 399 T N 2.839 117.439 114.554 0.077 0.000 3.005 399 T HA 0.140 4.490 4.350 -0.001 0.000 0.323 399 T C -0.889 173.906 174.700 0.158 0.000 1.131 399 T CA -0.157 61.998 62.100 0.092 0.000 0.977 399 T CB -0.771 68.139 68.868 0.070 0.000 1.055 399 T HN 0.574 nan 8.240 nan 0.000 0.562 400 Y N 4.272 124.666 120.300 0.157 0.000 2.729 400 Y HA 0.190 4.739 4.550 -0.001 0.000 0.331 400 Y C 0.014 176.017 175.900 0.172 0.000 1.208 400 Y CA -0.204 58.017 58.100 0.202 0.000 1.521 400 Y CB 0.044 38.701 38.460 0.329 0.000 1.233 400 Y HN 0.516 nan 8.280 nan 0.000 0.539 401 I N 7.641 128.056 120.570 -0.258 0.000 2.437 401 I HA 0.364 4.534 4.170 -0.001 0.000 0.279 401 I C 0.503 176.424 176.117 -0.327 0.000 1.028 401 I CA -0.741 60.474 61.300 -0.142 0.000 1.142 401 I CB 0.684 38.672 38.000 -0.020 0.000 1.266 401 I HN 0.808 nan 8.210 nan 0.000 0.461 402 A N 4.803 127.536 122.820 -0.145 0.000 2.325 402 A HA 0.009 4.329 4.320 -0.001 0.000 0.283 402 A C 0.758 178.347 177.584 0.008 0.000 1.211 402 A CA 0.893 52.896 52.037 -0.058 0.000 0.850 402 A CB 0.054 19.149 19.000 0.159 0.000 1.122 402 A HN 0.767 nan 8.150 nan 0.000 0.515 403 H N -1.326 117.706 119.070 -0.063 0.000 2.788 403 H HA 0.141 4.697 4.556 -0.001 0.000 0.262 403 H C 0.522 175.826 175.328 -0.040 0.000 0.968 403 H CA 0.683 56.604 56.048 -0.212 0.000 1.218 403 H CB -0.205 29.200 29.762 -0.594 0.000 1.443 403 H HN 0.743 nan 8.280 nan 0.000 0.478 404 Q N 1.497 121.438 119.800 0.235 0.000 2.428 404 Q HA 0.118 4.457 4.340 -0.001 0.000 0.276 404 Q C -0.711 175.417 176.000 0.213 0.000 1.059 404 Q CA 0.506 56.484 55.803 0.293 0.000 0.923 404 Q CB 0.863 29.733 28.738 0.219 0.000 1.283 404 Q HN 0.141 nan 8.270 nan 0.000 0.447 405 D N 1.862 122.386 120.400 0.208 0.000 2.404 405 D HA 0.118 4.758 4.640 -0.001 0.000 0.267 405 D C 0.005 176.365 176.300 0.099 0.000 1.194 405 D CA -0.000 54.095 54.000 0.159 0.000 0.910 405 D CB 1.295 42.224 40.800 0.215 0.000 1.090 405 D HN 0.814 nan 8.370 nan 0.000 0.511 406 T N -2.652 111.940 114.554 0.064 0.000 2.969 406 T HA 0.206 4.556 4.350 -0.001 0.000 0.258 406 T C 1.135 175.826 174.700 -0.016 0.000 0.962 406 T CA -0.185 61.928 62.100 0.022 0.000 0.903 406 T CB 0.765 69.641 68.868 0.013 0.000 1.177 406 T HN 0.192 nan 8.240 nan 0.000 0.511 407 G N 1.702 110.499 108.800 -0.005 0.000 2.712 407 G HA2 0.535 4.494 3.960 -0.001 0.000 0.258 407 G HA3 0.535 4.494 3.960 -0.001 0.000 0.258 407 G C -0.502 174.388 174.900 -0.016 0.000 1.241 407 G CA -0.594 44.484 45.100 -0.037 0.000 0.923 407 G HN 0.377 nan 8.290 nan 0.000 0.548 408 R N -1.747 118.731 120.500 -0.036 0.000 2.774 408 R HA 0.199 4.539 4.340 -0.001 0.000 0.272 408 R C -1.818 174.496 176.300 0.023 0.000 1.000 408 R CA -0.875 55.224 56.100 -0.001 0.000 0.906 408 R CB 1.632 31.902 30.300 -0.050 0.000 1.227 408 R HN 0.591 nan 8.270 nan 0.000 0.468 409 Y N 3.431 123.706 120.300 -0.042 0.000 2.958 409 Y HA 0.290 4.840 4.550 -0.001 0.000 0.336 409 Y C -1.520 174.359 175.900 -0.036 0.000 1.160 409 Y CA -2.253 55.829 58.100 -0.029 0.000 1.292 409 Y CB 0.855 39.322 38.460 0.011 0.000 1.306 409 Y HN 0.337 nan 8.280 nan 0.000 0.547 410 P HA -0.108 nan 4.420 nan 0.000 0.249 410 P C -0.042 177.189 177.300 -0.115 0.000 1.227 410 P CA 1.061 64.061 63.100 -0.168 0.000 0.753 410 P CB 0.142 31.656 31.700 -0.310 0.000 0.966 411 E N -0.831 119.272 120.200 -0.162 0.000 2.499 411 E HA 0.341 4.690 4.350 -0.001 0.000 0.199 411 E C 0.919 177.731 176.600 0.353 0.000 1.016 411 E CA -0.152 56.217 56.400 -0.052 0.000 0.933 411 E CB 0.177 29.582 29.700 -0.491 0.000 1.050 411 E HN 0.114 nan 8.360 nan 0.000 0.462 412 G N 0.788 109.825 108.800 0.395 0.000 4.876 412 G HA2 0.186 4.145 3.960 -0.001 0.000 0.219 412 G HA3 0.186 4.145 3.960 -0.001 0.000 0.219 412 G C -0.910 174.238 174.900 0.412 0.000 0.877 412 G CA -0.557 44.784 45.100 0.400 0.000 0.718 412 G HN 0.018 nan 8.290 nan 0.000 0.518 413 D N -0.231 120.409 120.400 0.399 0.000 2.758 413 D HA 0.826 5.466 4.640 -0.001 0.000 0.262 413 D C -0.641 176.052 176.300 0.655 0.000 1.113 413 D CA -0.376 53.821 54.000 0.327 0.000 1.114 413 D CB 1.359 42.205 40.800 0.078 0.000 1.363 413 D HN 0.496 nan 8.370 nan 0.000 0.617 414 W N -1.142 120.241 121.300 0.139 0.000 3.536 414 W HA 0.363 5.023 4.660 -0.001 0.000 0.301 414 W C -2.717 173.791 176.519 -0.018 0.000 1.092 414 W CA -0.796 56.574 57.345 0.042 0.000 1.070 414 W CB -0.264 29.207 29.460 0.019 0.000 1.335 414 W HN 0.240 nan 8.180 nan 0.000 0.565 415 I N 4.078 124.637 120.570 -0.019 0.000 2.382 415 I HA 0.322 4.491 4.170 -0.001 0.000 0.285 415 I C 0.121 176.276 176.117 0.063 0.000 1.007 415 I CA -0.900 60.361 61.300 -0.064 0.000 1.142 415 I CB 1.426 39.276 38.000 -0.251 0.000 1.289 415 I HN 0.569 nan 8.210 nan 0.000 0.453 416 Q N 4.709 124.612 119.800 0.171 0.000 2.572 416 Q HA 0.486 4.826 4.340 -0.001 0.000 0.284 416 Q C -0.787 175.304 176.000 0.151 0.000 1.091 416 Q CA -1.037 54.878 55.803 0.187 0.000 0.840 416 Q CB 1.558 30.477 28.738 0.302 0.000 1.433 416 Q HN 0.469 nan 8.270 nan 0.000 0.471 417 N N 0.014 118.799 118.700 0.141 0.000 2.453 417 N HA 0.052 4.791 4.740 -0.001 0.000 0.253 417 N C 0.748 176.351 175.510 0.155 0.000 1.252 417 N CA 0.047 53.170 53.050 0.121 0.000 0.917 417 N CB 0.562 39.110 38.487 0.101 0.000 1.117 417 N HN 0.590 nan 8.380 nan 0.000 0.442 418 I N 1.338 121.969 120.570 0.102 0.000 3.001 418 I HA -0.171 3.998 4.170 -0.001 0.000 0.268 418 I C 1.479 177.660 176.117 0.106 0.000 1.267 418 I CA 0.496 61.842 61.300 0.077 0.000 1.472 418 I CB -0.316 37.712 38.000 0.046 0.000 1.089 418 I HN 0.483 nan 8.210 nan 0.000 0.468 419 N N 0.570 119.352 118.700 0.136 0.000 2.409 419 N HA -0.123 4.617 4.740 -0.001 0.000 0.179 419 N C 1.275 176.947 175.510 0.269 0.000 1.032 419 N CA 0.650 53.791 53.050 0.151 0.000 0.898 419 N CB 0.135 38.687 38.487 0.107 0.000 0.971 419 N HN 0.187 nan 8.380 nan 0.000 0.441 420 F N 0.930 120.913 119.950 0.056 0.000 2.562 420 F HA -0.408 4.118 4.527 -0.001 0.000 0.696 420 F C 0.417 176.244 175.800 0.045 0.000 0.486 420 F CA 1.313 59.351 58.000 0.064 0.000 0.708 420 F CB -1.372 37.679 39.000 0.084 0.000 1.600 420 F HN 0.133 nan 8.300 nan 0.000 0.266 421 N N 2.035 120.822 118.700 0.144 0.000 2.903 421 N HA -0.208 4.532 4.740 -0.001 0.000 0.296 421 N C -0.096 175.339 175.510 -0.125 0.000 1.037 421 N CA 1.086 54.145 53.050 0.016 0.000 0.841 421 N CB -1.062 37.452 38.487 0.046 0.000 0.958 421 N HN 0.632 nan 8.380 nan 0.000 0.605 422 L N -0.144 120.894 121.223 -0.307 0.000 2.431 422 L HA 0.719 5.058 4.340 -0.001 0.000 0.260 422 L C -1.726 175.008 176.870 -0.228 0.000 1.098 422 L CA -1.508 53.127 54.840 -0.342 0.000 0.800 422 L CB -0.139 41.572 42.059 -0.580 0.000 1.210 422 L HN -0.043 nan 8.230 nan 0.000 0.465 423 P HA 0.071 nan 4.420 nan 0.000 0.261 423 P C -0.155 177.035 177.300 -0.182 0.000 1.203 423 P CA -0.137 62.838 63.100 -0.210 0.000 0.767 423 P CB 0.676 32.282 31.700 -0.156 0.000 0.785 424 V N 4.264 124.046 119.914 -0.220 0.000 2.814 424 V HA -0.033 4.086 4.120 -0.001 0.000 0.307 424 V C 0.344 176.368 176.094 -0.117 0.000 1.089 424 V CA 0.966 63.171 62.300 -0.158 0.000 1.212 424 V CB 0.304 32.029 31.823 -0.162 0.000 0.912 424 V HN 0.701 nan 8.190 nan 0.000 0.497 425 T N 6.232 120.742 114.554 -0.075 0.000 2.895 425 T HA 0.238 4.588 4.350 -0.001 0.000 0.283 425 T C 0.928 175.601 174.700 -0.046 0.000 1.014 425 T CA 0.257 62.322 62.100 -0.057 0.000 1.037 425 T CB 1.430 70.275 68.868 -0.039 0.000 1.006 425 T HN 0.897 nan 8.240 nan 0.000 0.468 426 N N 2.096 120.769 118.700 -0.044 0.000 2.096 426 N HA -0.218 4.522 4.740 -0.001 0.000 0.198 426 N C 1.234 176.729 175.510 -0.025 0.000 1.017 426 N CA 2.242 55.270 53.050 -0.036 0.000 0.889 426 N CB -0.200 38.269 38.487 -0.029 0.000 1.081 426 N HN 0.643 nan 8.380 nan 0.000 0.549 427 D N -0.924 119.466 120.400 -0.018 0.000 2.421 427 D HA -0.138 4.502 4.640 -0.001 0.000 0.223 427 D C 0.260 176.558 176.300 -0.004 0.000 0.979 427 D CA 0.851 54.845 54.000 -0.010 0.000 0.959 427 D CB -0.487 40.310 40.800 -0.006 0.000 0.874 427 D HN 0.486 nan 8.370 nan 0.000 0.513 428 N N -0.680 118.017 118.700 -0.005 0.000 2.235 428 N HA 0.108 4.847 4.740 -0.001 0.000 0.231 428 N C -1.207 174.317 175.510 0.023 0.000 1.177 428 N CA -0.042 53.015 53.050 0.012 0.000 0.874 428 N CB 1.598 40.092 38.487 0.011 0.000 1.097 428 N HN -0.180 nan 8.380 nan 0.000 0.518 429 V N 1.343 121.259 119.914 0.004 0.000 2.789 429 V HA 0.244 4.364 4.120 -0.001 0.000 0.300 429 V C -1.525 174.553 176.094 -0.027 0.000 1.184 429 V CA -0.810 61.502 62.300 0.019 0.000 0.930 429 V CB 2.307 34.134 31.823 0.008 0.000 1.041 429 V HN -0.095 nan 8.190 nan 0.000 0.430 430 L N 6.104 127.277 121.223 -0.083 0.000 2.264 430 L HA 0.712 5.052 4.340 -0.001 0.000 0.287 430 L C -0.708 176.015 176.870 -0.246 0.000 1.039 430 L CA 0.286 55.001 54.840 -0.209 0.000 0.829 430 L CB 0.767 42.603 42.059 -0.373 0.000 1.211 430 L HN 0.527 nan 8.230 nan 0.000 0.427 431 L N 7.096 128.292 121.223 -0.046 0.000 2.376 431 L HA 0.647 4.987 4.340 -0.001 0.000 0.267 431 L C -1.330 175.694 176.870 0.257 0.000 1.035 431 L CA -1.484 53.430 54.840 0.124 0.000 0.800 431 L CB 0.137 42.245 42.059 0.082 0.000 1.290 431 L HN 0.343 nan 8.230 nan 0.000 0.462 432 P HA -0.073 nan 4.420 nan 0.000 0.217 432 P C 1.300 178.677 177.300 0.129 0.000 1.150 432 P CA 1.288 64.516 63.100 0.214 0.000 0.832 432 P CB 0.056 31.838 31.700 0.136 0.000 0.787 433 T N -0.201 114.411 114.554 0.097 0.000 2.833 433 T HA -0.069 4.280 4.350 -0.001 0.000 0.269 433 T C 0.579 175.308 174.700 0.049 0.000 1.054 433 T CA 0.994 63.128 62.100 0.056 0.000 1.135 433 T CB -0.860 68.031 68.868 0.039 0.000 0.869 433 T HN 0.164 nan 8.240 nan 0.000 0.466 434 D N 3.051 123.487 120.400 0.060 0.000 2.382 434 D HA 0.142 4.781 4.640 -0.001 0.000 0.259 434 D C -2.280 174.053 176.300 0.055 0.000 1.224 434 D CA -1.097 52.928 54.000 0.042 0.000 0.894 434 D CB 0.999 41.813 40.800 0.024 0.000 1.127 434 D HN 0.221 nan 8.370 nan 0.000 0.487 435 P HA 0.146 nan 4.420 nan 0.000 0.270 435 P C -0.211 177.114 177.300 0.041 0.000 1.223 435 P CA -0.266 62.852 63.100 0.031 0.000 0.785 435 P CB 0.990 32.697 31.700 0.012 0.000 0.923 436 I N 0.684 121.280 120.570 0.044 0.000 2.497 436 I HA 0.344 4.513 4.170 -0.001 0.000 0.284 436 I C 1.037 177.176 176.117 0.036 0.000 1.060 436 I CA -0.151 61.181 61.300 0.053 0.000 1.071 436 I CB 0.543 38.599 38.000 0.094 0.000 1.216 436 I HN 0.756 nan 8.210 nan 0.000 0.442 437 G N 4.146 112.963 108.800 0.028 0.000 2.179 437 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.220 437 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.220 437 G C 0.927 175.831 174.900 0.007 0.000 0.990 437 G CA 0.179 45.291 45.100 0.020 0.000 0.646 437 G HN 1.596 nan 8.290 nan 0.000 0.517 438 G N -0.567 108.236 108.800 0.005 0.000 2.299 438 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.237 438 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.237 438 G C 0.467 175.359 174.900 -0.014 0.000 1.027 438 G CA 1.038 46.136 45.100 -0.003 0.000 0.619 438 G HN 0.978 nan 8.290 nan 0.000 0.513 439 K N 1.016 121.405 120.400 -0.020 0.000 2.237 439 K HA 0.494 4.814 4.320 -0.001 0.000 0.270 439 K C 1.468 178.053 176.600 -0.025 0.000 1.015 439 K CA 0.247 56.513 56.287 -0.035 0.000 0.949 439 K CB 0.806 33.278 32.500 -0.047 0.000 0.976 439 K HN 0.161 nan 8.250 nan 0.000 0.472 440 T N 1.346 115.882 114.554 -0.031 0.000 2.571 440 T HA -0.124 4.226 4.350 -0.001 0.000 0.255 440 T C 1.880 176.565 174.700 -0.025 0.000 1.100 440 T CA 1.524 63.611 62.100 -0.023 0.000 1.199 440 T CB -0.636 68.217 68.868 -0.025 0.000 0.870 440 T HN 0.894 nan 8.240 nan 0.000 0.399 441 G N 2.246 111.025 108.800 -0.035 0.000 2.626 441 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.224 441 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.224 441 G C 0.648 175.512 174.900 -0.060 0.000 1.095 441 G CA 0.701 45.773 45.100 -0.045 0.000 0.738 441 G HN 0.369 nan 8.290 nan 0.000 0.600 442 I N 0.144 120.686 120.570 -0.047 0.000 2.764 442 I HA 0.331 4.501 4.170 -0.001 0.000 0.294 442 I C 0.159 176.264 176.117 -0.021 0.000 1.045 442 I CA -0.661 60.609 61.300 -0.050 0.000 1.340 442 I CB 1.012 38.998 38.000 -0.025 0.000 1.436 442 I HN 0.005 nan 8.210 nan 0.000 0.567 443 N N 0.700 119.387 118.700 -0.023 0.000 2.831 443 N HA 0.308 5.048 4.740 -0.001 0.000 0.276 443 N C 0.128 175.698 175.510 0.100 0.000 1.416 443 N CA -0.541 52.533 53.050 0.041 0.000 0.799 443 N CB 1.262 39.727 38.487 -0.038 0.000 1.554 443 N HN 0.506 nan 8.380 nan 0.000 0.541 444 Y N -1.767 118.541 120.300 0.013 0.000 2.510 444 Y HA 0.202 4.751 4.550 -0.001 0.000 0.273 444 Y C 1.789 177.735 175.900 0.077 0.000 1.119 444 Y CA 0.930 59.056 58.100 0.044 0.000 1.286 444 Y CB -0.885 37.574 38.460 -0.001 0.000 1.061 444 Y HN 0.530 nan 8.280 nan 0.000 0.542 445 T N -1.553 112.568 114.554 -0.721 0.000 2.821 445 T HA -0.149 4.201 4.350 -0.001 0.000 0.267 445 T C 1.372 176.187 174.700 0.191 0.000 1.046 445 T CA 1.740 63.571 62.100 -0.448 0.000 1.139 445 T CB -0.736 67.984 68.868 -0.246 0.000 0.871 445 T HN 0.394 nan 8.240 nan 0.000 0.454 446 N N 0.888 119.606 118.700 0.030 0.000 2.309 446 N HA 0.090 4.830 4.740 -0.001 0.000 0.182 446 N C 1.172 176.721 175.510 0.064 0.000 1.018 446 N CA 0.799 53.753 53.050 -0.160 0.000 0.876 446 N CB -0.081 38.231 38.487 -0.292 0.000 0.972 446 N HN 0.350 nan 8.380 nan 0.000 0.434 447 I N -0.773 119.871 120.570 0.124 0.000 4.082 447 I HA 0.150 4.319 4.170 -0.001 0.000 0.337 447 I C -0.140 176.124 176.117 0.247 0.000 1.352 447 I CA -0.231 61.166 61.300 0.162 0.000 1.097 447 I CB -0.863 37.228 38.000 0.152 0.000 1.048 447 I HN -0.010 nan 8.210 nan 0.000 0.393 448 F N 3.205 123.192 119.950 0.062 0.000 2.443 448 F HA 0.307 4.834 4.527 -0.001 0.000 0.353 448 F C 0.773 176.625 175.800 0.087 0.000 1.101 448 F CA -0.306 57.732 58.000 0.063 0.000 1.226 448 F CB 0.459 39.428 39.000 -0.052 0.000 1.140 448 F HN -0.001 nan 8.300 nan 0.000 0.557 449 N N 3.504 122.008 118.700 -0.328 0.000 2.640 449 N HA 0.070 4.809 4.740 -0.001 0.000 0.262 449 N C -1.474 173.818 175.510 -0.363 0.000 1.174 449 N CA -0.200 52.719 53.050 -0.217 0.000 0.791 449 N CB 1.057 39.498 38.487 -0.076 0.000 1.279 449 N HN 0.661 nan 8.380 nan 0.000 0.535 450 T N 0.935 115.283 114.554 -0.344 0.000 3.145 450 T HA 0.256 4.606 4.350 -0.001 0.000 0.348 450 T C -0.811 173.939 174.700 0.083 0.000 1.299 450 T CA -0.470 61.503 62.100 -0.212 0.000 1.037 450 T CB -0.303 68.443 68.868 -0.204 0.000 1.122 450 T HN 0.366 nan 8.240 nan 0.000 0.600 451 Y N 2.263 122.496 120.300 -0.111 0.000 2.349 451 Y HA 0.639 5.188 4.550 -0.001 0.000 0.324 451 Y C -0.124 175.719 175.900 -0.094 0.000 1.005 451 Y CA -1.166 56.874 58.100 -0.099 0.000 1.240 451 Y CB 1.126 39.439 38.460 -0.245 0.000 1.117 451 Y HN 0.812 nan 8.280 nan 0.000 0.463 452 G N 4.699 113.271 108.800 -0.380 0.000 2.511 452 G HA2 0.465 4.425 3.960 -0.001 0.000 0.318 452 G HA3 0.465 4.425 3.960 -0.001 0.000 0.318 452 G C -2.357 172.256 174.900 -0.477 0.000 1.210 452 G CA -2.192 42.689 45.100 -0.365 0.000 0.969 452 G HN 0.372 nan 8.290 nan 0.000 0.484 453 P HA 0.021 nan 4.420 nan 0.000 0.242 453 P C 0.905 178.099 177.300 -0.178 0.000 1.198 453 P CA 0.609 63.552 63.100 -0.260 0.000 0.756 453 P CB 0.083 31.683 31.700 -0.168 0.000 0.911 454 L N -2.508 118.613 121.223 -0.170 0.000 2.766 454 L HA 0.146 4.485 4.340 -0.001 0.000 0.242 454 L C 0.438 177.271 176.870 -0.062 0.000 1.136 454 L CA 0.108 54.889 54.840 -0.099 0.000 0.933 454 L CB -0.135 41.874 42.059 -0.083 0.000 1.241 454 L HN -0.213 nan 8.230 nan 0.000 0.522 455 T N 2.027 116.542 114.554 -0.066 0.000 2.784 455 T HA 0.356 4.705 4.350 -0.001 0.000 0.291 455 T C 0.418 175.174 174.700 0.093 0.000 0.942 455 T CA -0.098 62.047 62.100 0.074 0.000 1.161 455 T CB 1.105 70.121 68.868 0.247 0.000 0.885 455 T HN 0.251 nan 8.240 nan 0.000 0.534 456 A N 3.757 126.623 122.820 0.076 0.000 2.303 456 A HA 0.806 5.125 4.320 -0.001 0.000 0.317 456 A C -0.657 176.985 177.584 0.096 0.000 1.149 456 A CA -0.589 51.484 52.037 0.061 0.000 0.822 456 A CB 0.614 19.619 19.000 0.007 0.000 1.131 456 A HN 0.650 nan 8.150 nan 0.000 0.493 457 L N 1.494 122.771 121.223 0.089 0.000 2.518 457 L HA 0.489 4.829 4.340 -0.001 0.000 0.257 457 L C -1.169 175.743 176.870 0.071 0.000 0.980 457 L CA -0.287 54.613 54.840 0.100 0.000 0.837 457 L CB 2.315 44.463 42.059 0.149 0.000 1.410 457 L HN 0.821 nan 8.230 nan 0.000 0.410 458 N N 2.109 120.849 118.700 0.067 0.000 2.295 458 N HA 0.292 5.031 4.740 -0.001 0.000 0.293 458 N C -1.185 174.364 175.510 0.065 0.000 1.040 458 N CA -0.648 52.438 53.050 0.060 0.000 0.840 458 N CB 2.355 40.879 38.487 0.062 0.000 1.468 458 N HN 0.678 nan 8.380 nan 0.000 0.478 459 N N 1.089 119.821 118.700 0.053 0.000 2.297 459 N HA 0.009 4.748 4.740 -0.001 0.000 0.232 459 N C -0.494 175.051 175.510 0.059 0.000 1.311 459 N CA 0.021 53.100 53.050 0.049 0.000 0.897 459 N CB 0.864 39.364 38.487 0.020 0.000 1.137 459 N HN 0.096 nan 8.380 nan 0.000 0.449 460 V N 3.637 123.589 119.914 0.064 0.000 2.439 460 V HA 0.173 4.292 4.120 -0.001 0.000 0.271 460 V C -1.746 174.389 176.094 0.068 0.000 1.040 460 V CA -1.070 61.279 62.300 0.083 0.000 1.002 460 V CB 0.667 32.547 31.823 0.096 0.000 1.000 460 V HN 0.699 nan 8.190 nan 0.000 0.477 461 P HA 0.229 nan 4.420 nan 0.000 0.272 461 P C -2.659 174.648 177.300 0.012 0.000 1.240 461 P CA -1.649 61.483 63.100 0.054 0.000 0.791 461 P CB -0.351 31.416 31.700 0.111 0.000 0.978 462 P HA 0.032 nan 4.420 nan 0.000 0.268 462 P C -0.689 176.432 177.300 -0.299 0.000 1.204 462 P CA 0.361 63.411 63.100 -0.083 0.000 0.768 462 P CB 0.154 31.655 31.700 -0.332 0.000 0.842 463 V N 4.456 124.183 119.914 -0.311 0.000 2.266 463 V HA 0.213 4.333 4.120 -0.001 0.000 0.271 463 V C -0.381 175.502 176.094 -0.351 0.000 1.032 463 V CA -0.647 61.351 62.300 -0.503 0.000 0.806 463 V CB -0.331 31.238 31.823 -0.424 0.000 1.052 463 V HN 0.453 nan 8.190 nan 0.000 0.449 464 Y N 7.804 127.752 120.300 -0.587 0.000 2.387 464 Y HA 0.645 5.194 4.550 -0.001 0.000 0.330 464 Y C -2.149 173.510 175.900 -0.402 0.000 1.133 464 Y CA -2.430 55.282 58.100 -0.647 0.000 1.152 464 Y CB 2.350 39.917 38.460 -1.488 0.000 1.215 464 Y HN 0.345 nan 8.280 nan 0.000 0.466 465 P HA -0.132 nan 4.420 nan 0.000 0.196 465 P C 0.397 177.581 177.300 -0.194 0.000 1.105 465 P CA 1.563 64.092 63.100 -0.952 0.000 0.866 465 P CB 0.161 31.585 31.700 -0.460 0.000 0.706 466 N N -0.346 118.305 118.700 -0.083 0.000 1.596 466 N HA -0.295 4.445 4.740 -0.001 0.000 0.137 466 N C 1.224 176.738 175.510 0.006 0.000 0.235 466 N CA 2.203 55.182 53.050 -0.117 0.000 1.299 466 N CB -2.273 35.988 38.487 -0.377 0.000 1.306 466 N HN 0.454 nan 8.380 nan 0.000 0.455 467 G N 1.493 110.156 108.800 -0.228 0.000 3.568 467 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.233 467 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.233 467 G C 0.027 175.080 174.900 0.254 0.000 1.064 467 G CA 0.585 45.730 45.100 0.075 0.000 0.931 467 G HN 0.653 nan 8.290 nan 0.000 0.493 468 Q N -0.618 119.317 119.800 0.225 0.000 2.212 468 Q HA 0.542 4.882 4.340 -0.001 0.000 0.238 468 Q C 1.067 177.042 176.000 -0.042 0.000 0.955 468 Q CA -0.884 54.937 55.803 0.031 0.000 0.906 468 Q CB 1.007 29.769 28.738 0.040 0.000 1.215 468 Q HN 0.523 nan 8.270 nan 0.000 0.478 469 I N -0.258 120.113 120.570 -0.332 0.000 3.325 469 I HA 0.137 4.307 4.170 -0.001 0.000 0.237 469 I C -0.115 176.091 176.117 0.149 0.000 1.068 469 I CA 0.066 61.175 61.300 -0.319 0.000 1.511 469 I CB 0.210 37.903 38.000 -0.511 0.000 1.409 469 I HN 0.660 nan 8.210 nan 0.000 0.464 470 W N 0.721 122.068 121.300 0.078 0.000 2.761 470 W HA 0.667 5.327 4.660 -0.001 0.000 0.340 470 W C -1.465 175.164 176.519 0.182 0.000 1.072 470 W CA -1.013 56.404 57.345 0.120 0.000 1.215 470 W CB 0.631 30.064 29.460 -0.044 0.000 1.420 470 W HN -0.066 nan 8.180 nan 0.000 0.519 471 D N 2.236 122.861 120.400 0.374 0.000 2.863 471 D HA 0.201 4.840 4.640 -0.001 0.000 0.245 471 D C -0.196 176.233 176.300 0.216 0.000 1.211 471 D CA -0.680 53.542 54.000 0.371 0.000 0.888 471 D CB 1.636 42.676 40.800 0.399 0.000 1.483 471 D HN 0.522 nan 8.370 nan 0.000 0.533 472 K N 1.546 121.902 120.400 -0.072 0.000 2.370 472 K HA -0.107 4.213 4.320 -0.001 0.000 0.263 472 K C -0.358 176.300 176.600 0.097 0.000 0.983 472 K CA 0.605 56.748 56.287 -0.240 0.000 0.867 472 K CB 0.393 32.441 32.500 -0.754 0.000 0.967 472 K HN 0.450 nan 8.250 nan 0.000 0.535 473 E N 0.305 120.581 120.200 0.126 0.000 2.266 473 E HA 0.269 4.618 4.350 -0.001 0.000 0.268 473 E C -1.239 175.608 176.600 0.412 0.000 0.879 473 E CA -0.707 55.853 56.400 0.265 0.000 0.762 473 E CB 0.554 30.315 29.700 0.102 0.000 1.199 473 E HN 0.282 nan 8.360 nan 0.000 0.422 474 F N 1.862 121.901 119.950 0.148 0.000 2.595 474 F HA 0.060 4.586 4.527 -0.001 0.000 0.359 474 F C 1.431 177.266 175.800 0.057 0.000 1.147 474 F CA 0.190 58.240 58.000 0.083 0.000 1.341 474 F CB 0.391 39.431 39.000 0.065 0.000 1.104 474 F HN 0.622 nan 8.300 nan 0.000 0.603 475 D N -0.140 120.368 120.400 0.179 0.000 2.370 475 D HA 0.029 4.668 4.640 -0.001 0.000 0.230 475 D C 0.023 176.376 176.300 0.089 0.000 1.143 475 D CA 0.045 54.107 54.000 0.103 0.000 0.834 475 D CB 0.008 40.840 40.800 0.053 0.000 0.944 475 D HN 0.499 nan 8.370 nan 0.000 0.504 476 T N -2.638 111.994 114.554 0.130 0.000 2.817 476 T HA 0.107 4.457 4.350 -0.001 0.000 0.293 476 T C 1.114 175.867 174.700 0.088 0.000 0.964 476 T CA -0.824 61.337 62.100 0.101 0.000 1.085 476 T CB 1.622 70.571 68.868 0.135 0.000 0.921 476 T HN -0.045 nan 8.240 nan 0.000 0.502 477 D N 1.759 122.195 120.400 0.060 0.000 2.191 477 D HA -0.131 4.509 4.640 -0.001 0.000 0.190 477 D C 0.676 177.008 176.300 0.053 0.000 1.007 477 D CA 1.337 55.367 54.000 0.049 0.000 0.865 477 D CB 0.037 40.858 40.800 0.036 0.000 0.929 477 D HN 0.520 nan 8.370 nan 0.000 0.447 478 L N 0.916 122.175 121.223 0.059 0.000 2.309 478 L HA 0.340 4.679 4.340 -0.001 0.000 0.282 478 L C 0.263 177.179 176.870 0.077 0.000 1.036 478 L CA -0.445 54.430 54.840 0.058 0.000 0.806 478 L CB 1.561 43.650 42.059 0.049 0.000 1.220 478 L HN -0.210 nan 8.230 nan 0.000 0.429 479 K N 2.738 123.177 120.400 0.064 0.000 2.385 479 K HA 0.580 4.899 4.320 -0.001 0.000 0.248 479 K C -2.557 174.057 176.600 0.022 0.000 0.955 479 K CA -1.927 54.398 56.287 0.063 0.000 0.816 479 K CB 1.568 34.110 32.500 0.070 0.000 1.250 479 K HN 0.293 nan 8.250 nan 0.000 0.434 480 P HA 0.118 nan 4.420 nan 0.000 0.268 480 P C 0.116 177.422 177.300 0.009 0.000 1.205 480 P CA -0.153 62.916 63.100 -0.051 0.000 0.771 480 P CB 0.654 32.241 31.700 -0.188 0.000 0.858 481 R N 1.335 121.843 120.500 0.014 0.000 2.081 481 R HA 0.017 4.357 4.340 -0.001 0.000 0.235 481 R C 0.882 177.206 176.300 0.040 0.000 1.131 481 R CA 1.115 57.234 56.100 0.033 0.000 0.960 481 R CB -0.534 29.792 30.300 0.043 0.000 0.856 481 R HN 0.543 nan 8.270 nan 0.000 0.436 482 L N -3.747 117.512 121.223 0.060 0.000 2.518 482 L HA 0.502 4.841 4.340 -0.001 0.000 0.257 482 L C -1.024 175.950 176.870 0.175 0.000 0.980 482 L CA -1.102 53.790 54.840 0.088 0.000 0.837 482 L CB 2.250 44.347 42.059 0.063 0.000 1.410 482 L HN -0.080 nan 8.230 nan 0.000 0.410 483 H N 1.058 120.101 119.070 -0.045 0.000 2.483 483 H HA 0.398 4.953 4.556 -0.001 0.000 0.338 483 H C 0.037 175.368 175.328 0.005 0.000 1.152 483 H CA -0.592 55.428 56.048 -0.046 0.000 1.264 483 H CB 3.143 32.890 29.762 -0.024 0.000 1.510 483 H HN 0.590 nan 8.280 nan 0.000 0.530 484 I N 1.605 122.231 120.570 0.093 0.000 3.603 484 I HA -0.134 4.036 4.170 -0.001 0.000 0.297 484 I C 1.450 177.627 176.117 0.100 0.000 1.269 484 I CA 0.655 62.001 61.300 0.077 0.000 1.361 484 I CB -0.059 37.961 38.000 0.033 0.000 1.063 484 I HN 0.632 nan 8.210 nan 0.000 0.448 485 N N 0.196 118.972 118.700 0.127 0.000 2.322 485 N HA 0.332 5.071 4.740 -0.001 0.000 0.181 485 N C 0.360 175.982 175.510 0.186 0.000 1.088 485 N CA 0.222 53.359 53.050 0.145 0.000 0.885 485 N CB 0.542 39.108 38.487 0.131 0.000 1.013 485 N HN 0.033 nan 8.380 nan 0.000 0.472 486 A N 0.247 123.183 122.820 0.192 0.000 2.488 486 A HA 0.527 4.847 4.320 -0.001 0.000 0.298 486 A C -2.239 175.424 177.584 0.132 0.000 1.044 486 A CA -1.307 50.844 52.037 0.191 0.000 0.693 486 A CB 1.390 20.506 19.000 0.194 0.000 1.272 486 A HN -0.063 nan 8.150 nan 0.000 0.402 487 P HA 0.011 nan 4.420 nan 0.000 0.221 487 P C -0.100 177.022 177.300 -0.297 0.000 1.150 487 P CA 1.187 64.187 63.100 -0.166 0.000 0.800 487 P CB -0.016 31.482 31.700 -0.338 0.000 0.787 488 F N -0.489 119.548 119.950 0.145 0.000 2.375 488 F HA 0.297 4.824 4.527 -0.001 0.000 0.361 488 F C 0.223 176.061 175.800 0.063 0.000 1.117 488 F CA -1.136 56.917 58.000 0.089 0.000 1.037 488 F CB 1.210 40.260 39.000 0.083 0.000 1.192 488 F HN -0.421 nan 8.300 nan 0.000 0.452 489 V N 3.312 123.306 119.914 0.134 0.000 2.370 489 V HA 0.282 4.402 4.120 -0.001 0.000 0.283 489 V C -0.233 175.910 176.094 0.082 0.000 1.023 489 V CA -0.982 61.317 62.300 -0.001 0.000 0.857 489 V CB 1.129 32.754 31.823 -0.329 0.000 0.985 489 V HN 0.955 nan 8.190 nan 0.000 0.443 490 c N 4.036 122.716 118.600 0.134 0.000 2.347 490 c HA 0.483 5.053 4.570 -0.001 0.000 0.353 490 c C 1.140 175.287 174.090 0.095 0.000 1.273 490 c CA -0.675 55.749 56.329 0.159 0.000 1.861 490 c CB 0.690 43.365 42.510 0.276 0.000 2.420 490 c HN 0.903 nan 8.230 nan 0.000 0.542 491 Q N 2.134 121.985 119.800 0.084 0.000 1.838 491 Q HA -0.058 4.281 4.340 -0.001 0.000 0.242 491 Q C 1.852 177.893 176.000 0.068 0.000 0.966 491 Q CA 1.412 57.252 55.803 0.061 0.000 0.870 491 Q CB -0.257 28.511 28.738 0.050 0.000 0.911 491 Q HN 0.829 nan 8.270 nan 0.000 0.434 492 N N 1.670 120.410 118.700 0.067 0.000 2.166 492 N HA -0.094 4.645 4.740 -0.001 0.000 0.186 492 N C 0.136 175.701 175.510 0.092 0.000 1.019 492 N CA 1.062 54.150 53.050 0.063 0.000 0.856 492 N CB -0.076 38.436 38.487 0.041 0.000 0.993 492 N HN 0.501 nan 8.380 nan 0.000 0.426 493 N N -0.896 117.893 118.700 0.149 0.000 2.369 493 N HA 0.361 5.101 4.740 -0.001 0.000 0.287 493 N C -1.561 174.275 175.510 0.543 0.000 1.067 493 N CA -0.726 52.487 53.050 0.272 0.000 0.888 493 N CB 1.555 40.201 38.487 0.265 0.000 1.616 493 N HN -0.158 nan 8.380 nan 0.000 0.482 494 c N 0.893 119.563 118.600 0.116 0.000 2.667 494 c HA 0.655 5.225 4.570 -0.001 0.000 0.323 494 c C -2.315 171.001 174.090 -1.290 0.000 1.214 494 c CA -1.200 54.913 56.329 -0.360 0.000 1.721 494 c CB 1.565 43.961 42.510 -0.191 0.000 2.275 494 c HN 0.621 nan 8.230 nan 0.000 0.491 495 P HA 0.290 nan 4.420 nan 0.000 0.271 495 P C 0.001 177.004 177.300 -0.496 0.000 1.218 495 P CA 0.536 62.811 63.100 -1.375 0.000 0.780 495 P CB 0.311 31.372 31.700 -1.065 0.000 0.901 496 G N 1.560 110.183 108.800 -0.295 0.000 2.562 496 G HA2 0.215 4.175 3.960 -0.001 0.000 0.275 496 G HA3 0.215 4.175 3.960 -0.001 0.000 0.275 496 G C -0.618 174.216 174.900 -0.110 0.000 1.196 496 G CA -0.581 44.440 45.100 -0.132 0.000 0.908 496 G HN 0.465 nan 8.290 nan 0.000 0.524 497 Q N -0.801 118.862 119.800 -0.228 0.000 2.288 497 Q HA 0.268 4.607 4.340 -0.001 0.000 0.254 497 Q C -0.746 174.788 176.000 -0.777 0.000 0.932 497 Q CA -0.498 54.972 55.803 -0.556 0.000 0.902 497 Q CB 2.037 30.256 28.738 -0.865 0.000 1.203 497 Q HN 0.323 nan 8.270 nan 0.000 0.415 498 L N 3.721 124.578 121.223 -0.609 0.000 2.259 498 L HA 0.367 4.707 4.340 -0.001 0.000 0.288 498 L C -1.585 174.952 176.870 -0.555 0.000 1.051 498 L CA 0.015 54.596 54.840 -0.432 0.000 0.824 498 L CB 0.130 42.137 42.059 -0.086 0.000 1.206 498 L HN 0.367 nan 8.230 nan 0.000 0.429 499 F N 5.094 124.898 119.950 -0.242 0.000 2.385 499 F HA 0.501 5.028 4.527 -0.001 0.000 0.360 499 F C 0.056 175.825 175.800 -0.051 0.000 1.122 499 F CA -0.766 57.091 58.000 -0.238 0.000 1.090 499 F CB 1.418 40.122 39.000 -0.493 0.000 1.150 499 F HN 0.066 nan 8.300 nan 0.000 0.472 500 V N 4.415 124.480 119.914 0.251 0.000 2.384 500 V HA 0.503 4.622 4.120 -0.001 0.000 0.287 500 V C -0.169 176.107 176.094 0.303 0.000 1.020 500 V CA -0.923 61.501 62.300 0.205 0.000 0.850 500 V CB 1.572 33.479 31.823 0.141 0.000 0.987 500 V HN 0.740 nan 8.190 nan 0.000 0.436 501 K N 3.363 123.920 120.400 0.261 0.000 2.444 501 K HA 0.796 5.116 4.320 -0.001 0.000 0.252 501 K C -1.682 174.867 176.600 -0.084 0.000 0.993 501 K CA -0.645 55.635 56.287 -0.012 0.000 0.847 501 K CB 2.648 34.782 32.500 -0.610 0.000 1.340 501 K HN 0.380 nan 8.250 nan 0.000 0.446 502 V N 1.963 121.794 119.914 -0.139 0.000 2.427 502 V HA 0.470 4.589 4.120 -0.001 0.000 0.286 502 V C -0.010 175.987 176.094 -0.162 0.000 1.034 502 V CA -0.861 61.376 62.300 -0.106 0.000 0.893 502 V CB 1.099 32.885 31.823 -0.062 0.000 0.982 502 V HN 0.891 nan 8.190 nan 0.000 0.452 503 A N 7.193 129.945 122.820 -0.114 0.000 2.401 503 A HA 0.629 4.948 4.320 -0.001 0.000 0.259 503 A C -2.252 175.272 177.584 -0.100 0.000 1.103 503 A CA -1.278 50.694 52.037 -0.109 0.000 0.789 503 A CB -0.149 18.812 19.000 -0.065 0.000 1.035 503 A HN 0.677 nan 8.150 nan 0.000 0.491 504 P HA 0.034 nan 4.420 nan 0.000 0.266 504 P C -0.671 176.574 177.300 -0.092 0.000 1.215 504 P CA 0.018 63.058 63.100 -0.100 0.000 0.763 504 P CB 0.270 31.904 31.700 -0.110 0.000 0.806 505 N N 4.287 122.942 118.700 -0.075 0.000 2.457 505 N HA 0.236 4.976 4.740 -0.001 0.000 0.250 505 N C -0.846 174.624 175.510 -0.067 0.000 0.982 505 N CA -0.337 52.673 53.050 -0.066 0.000 0.941 505 N CB 0.539 38.995 38.487 -0.051 0.000 1.120 505 N HN 0.318 nan 8.380 nan 0.000 0.505 506 L N 1.881 123.052 121.223 -0.086 0.000 2.344 506 L HA 0.391 4.731 4.340 -0.001 0.000 0.272 506 L C 1.413 178.257 176.870 -0.043 0.000 1.035 506 L CA -0.684 54.102 54.840 -0.090 0.000 0.807 506 L CB 1.804 43.749 42.059 -0.189 0.000 1.237 506 L HN 0.543 nan 8.230 nan 0.000 0.442 507 T N -2.502 112.047 114.554 -0.008 0.000 2.891 507 T HA 0.104 4.453 4.350 -0.001 0.000 0.294 507 T C 0.979 175.695 174.700 0.026 0.000 1.065 507 T CA -0.515 61.592 62.100 0.012 0.000 0.936 507 T CB 0.531 69.415 68.868 0.027 0.000 1.415 507 T HN 0.739 nan 8.240 nan 0.000 0.572 508 N N -0.416 118.302 118.700 0.030 0.000 2.467 508 N HA -0.053 4.687 4.740 -0.001 0.000 0.184 508 N C -0.016 175.527 175.510 0.054 0.000 1.106 508 N CA 0.030 53.100 53.050 0.033 0.000 0.892 508 N CB 0.187 38.688 38.487 0.022 0.000 0.969 508 N HN 0.634 nan 8.380 nan 0.000 0.454 509 Q N 0.023 119.866 119.800 0.072 0.000 2.325 509 Q HA 0.344 4.683 4.340 -0.001 0.000 0.270 509 Q C -2.027 174.073 176.000 0.167 0.000 1.020 509 Q CA -0.629 55.225 55.803 0.086 0.000 0.785 509 Q CB 2.140 30.908 28.738 0.050 0.000 1.259 509 Q HN 0.314 nan 8.270 nan 0.000 0.452 510 Y N 1.487 121.787 120.300 -0.001 0.000 2.262 510 Y HA 0.167 4.717 4.550 -0.001 0.000 0.317 510 Y C -2.040 173.861 175.900 0.002 0.000 1.230 510 Y CA -0.733 57.367 58.100 0.000 0.000 1.166 510 Y CB 1.340 39.800 38.460 0.000 0.000 1.254 510 Y HN 0.654 nan 8.280 nan 0.000 0.405 511 D N 8.577 128.683 120.400 -0.490 0.000 2.460 511 D HA 0.439 5.078 4.640 -0.001 0.000 0.232 511 D C -2.014 173.915 176.300 -0.618 0.000 1.079 511 D CA -2.317 51.438 54.000 -0.408 0.000 0.864 511 D CB 1.740 42.419 40.800 -0.201 0.000 1.048 511 D HN 0.240 nan 8.370 nan 0.000 0.523 512 P HA -0.014 nan 4.420 nan 0.000 0.236 512 P C -0.414 176.776 177.300 -0.184 0.000 1.172 512 P CA 0.672 63.545 63.100 -0.378 0.000 0.759 512 P CB 0.236 31.910 31.700 -0.043 0.000 0.843 513 D N -0.496 119.798 120.400 -0.176 0.000 2.755 513 D HA 0.415 5.055 4.640 -0.001 0.000 0.257 513 D C -0.157 176.081 176.300 -0.104 0.000 1.291 513 D CA -0.018 53.922 54.000 -0.100 0.000 0.836 513 D CB 0.080 40.840 40.800 -0.067 0.000 1.059 513 D HN 0.019 nan 8.370 nan 0.000 0.486 514 A N -0.143 122.594 122.820 -0.138 0.000 2.459 514 A HA 0.488 4.807 4.320 -0.001 0.000 0.296 514 A C 1.064 178.587 177.584 -0.103 0.000 1.039 514 A CA -0.662 51.306 52.037 -0.115 0.000 0.698 514 A CB 1.177 20.095 19.000 -0.137 0.000 1.261 514 A HN 0.107 nan 8.150 nan 0.000 0.405 515 S N 2.567 118.230 115.700 -0.062 0.000 2.335 515 S HA 0.197 4.667 4.470 -0.001 0.000 0.216 515 S C 1.931 176.509 174.600 -0.036 0.000 1.032 515 S CA 1.532 59.708 58.200 -0.040 0.000 1.000 515 S CB -1.165 62.019 63.200 -0.027 0.000 0.928 515 S HN 2.494 nan 8.310 nan 0.000 0.434 516 A N 3.152 125.951 122.820 -0.035 0.000 4.689 516 A HA -0.273 4.047 4.320 -0.001 0.000 0.656 516 A C 0.470 178.048 177.584 -0.011 0.000 1.423 516 A CA 1.825 53.847 52.037 -0.025 0.000 2.108 516 A CB -1.572 17.409 19.000 -0.032 0.000 1.483 516 A HN 0.858 nan 8.150 nan 0.000 0.733 517 N N -1.702 116.999 118.700 0.001 0.000 3.466 517 N HA 0.293 5.033 4.740 -0.001 0.000 0.217 517 N C -0.325 175.223 175.510 0.063 0.000 1.265 517 N CA 0.370 53.437 53.050 0.028 0.000 0.887 517 N CB 0.483 38.980 38.487 0.017 0.000 1.626 517 N HN 0.966 nan 8.380 nan 0.000 0.700 518 M N 0.439 120.115 119.600 0.127 0.000 3.588 518 M HA -0.119 4.361 4.480 -0.001 0.000 0.235 518 M C 0.121 176.512 176.300 0.151 0.000 1.997 518 M CA 0.426 55.885 55.300 0.265 0.000 1.820 518 M CB -1.298 31.534 32.600 0.386 0.000 1.567 518 M HN 0.389 nan 8.290 nan 0.000 0.496 519 S N 2.653 118.418 115.700 0.108 0.000 2.885 519 S HA 0.066 4.535 4.470 -0.001 0.000 0.334 519 S C 0.296 174.933 174.600 0.062 0.000 1.224 519 S CA -0.160 58.078 58.200 0.064 0.000 1.080 519 S CB 0.150 63.380 63.200 0.049 0.000 0.801 519 S HN 0.871 nan 8.310 nan 0.000 0.510 520 R N 2.666 123.184 120.500 0.031 0.000 2.892 520 R HA 0.565 4.905 4.340 -0.001 0.000 0.265 520 R C -0.625 175.676 176.300 0.002 0.000 1.025 520 R CA -1.166 54.938 56.100 0.007 0.000 0.982 520 R CB 0.779 31.072 30.300 -0.011 0.000 1.185 520 R HN 0.598 nan 8.270 nan 0.000 0.484 521 I N 2.008 122.572 120.570 -0.009 0.000 2.587 521 I HA -0.029 4.140 4.170 -0.001 0.000 0.284 521 I C 0.404 176.518 176.117 -0.005 0.000 1.134 521 I CA -0.421 60.873 61.300 -0.010 0.000 1.410 521 I CB 1.146 39.133 38.000 -0.021 0.000 1.392 521 I HN 0.275 nan 8.210 nan 0.000 0.545 522 V N 6.735 126.654 119.914 0.008 0.000 2.459 522 V HA -0.061 4.058 4.120 -0.001 0.000 0.255 522 V C 0.609 176.730 176.094 0.044 0.000 1.015 522 V CA 0.677 62.998 62.300 0.035 0.000 1.163 522 V CB -1.260 30.590 31.823 0.046 0.000 1.109 522 V HN 0.735 nan 8.190 nan 0.000 0.473 523 T N 5.422 119.995 114.554 0.031 0.000 2.856 523 T HA 0.731 5.080 4.350 -0.001 0.000 0.283 523 T C -0.641 174.099 174.700 0.066 0.000 1.008 523 T CA -0.331 61.761 62.100 -0.014 0.000 0.997 523 T CB 1.536 70.375 68.868 -0.049 0.000 0.992 523 T HN 0.648 nan 8.240 nan 0.000 0.454 524 Y N -0.499 119.803 120.300 0.003 0.000 2.615 524 Y HA 0.819 5.368 4.550 -0.001 0.000 0.341 524 Y C -0.742 175.137 175.900 -0.036 0.000 1.089 524 Y CA -1.460 56.615 58.100 -0.041 0.000 1.049 524 Y CB 1.224 39.661 38.460 -0.038 0.000 1.296 524 Y HN 0.644 nan 8.280 nan 0.000 0.470 525 S N 0.591 116.366 115.700 0.125 0.000 2.546 525 S HA 0.526 4.995 4.470 -0.001 0.000 0.272 525 S C -2.088 172.588 174.600 0.126 0.000 1.140 525 S CA -0.916 57.337 58.200 0.088 0.000 0.920 525 S CB 2.039 65.292 63.200 0.088 0.000 1.083 525 S HN 0.682 nan 8.310 nan 0.000 0.476 526 D N 2.278 122.766 120.400 0.147 0.000 2.308 526 D HA 0.593 5.232 4.640 -0.001 0.000 0.242 526 D C -0.895 175.454 176.300 0.081 0.000 1.059 526 D CA -0.125 53.902 54.000 0.045 0.000 0.830 526 D CB 1.591 42.442 40.800 0.085 0.000 1.161 526 D HN 0.595 nan 8.370 nan 0.000 0.494 527 F N -1.148 118.732 119.950 -0.117 0.000 2.588 527 F HA 0.633 5.159 4.527 -0.001 0.000 0.310 527 F C -1.488 174.169 175.800 -0.238 0.000 1.082 527 F CA -1.462 56.479 58.000 -0.098 0.000 0.929 527 F CB 0.764 39.755 39.000 -0.015 0.000 1.254 527 F HN 0.148 nan 8.300 nan 0.000 0.455 528 W N 2.663 123.896 121.300 -0.112 0.000 2.338 528 W HA 0.431 5.090 4.660 -0.001 0.000 0.307 528 W C -1.078 175.161 176.519 -0.467 0.000 1.167 528 W CA -0.282 56.791 57.345 -0.454 0.000 1.208 528 W CB 1.208 30.121 29.460 -0.912 0.000 1.228 528 W HN 0.731 nan 8.180 nan 0.000 0.499 529 W N 5.837 127.017 121.300 -0.199 0.000 2.573 529 W HA 0.556 5.215 4.660 -0.001 0.000 0.326 529 W C -0.983 175.496 176.519 -0.066 0.000 1.049 529 W CA -1.354 55.953 57.345 -0.063 0.000 1.220 529 W CB 1.080 30.549 29.460 0.014 0.000 1.373 529 W HN 0.207 nan 8.180 nan 0.000 0.507 530 K N 3.743 123.643 120.400 -0.833 0.000 2.426 530 K HA 0.804 5.123 4.320 -0.001 0.000 0.251 530 K C -0.780 174.972 176.600 -1.412 0.000 0.941 530 K CA -0.936 54.870 56.287 -0.803 0.000 0.808 530 K CB 1.859 34.239 32.500 -0.201 0.000 1.265 530 K HN 0.698 nan 8.250 nan 0.000 0.432 531 G N 2.285 110.505 108.800 -0.967 0.000 2.682 531 G HA2 0.398 4.358 3.960 -0.001 0.000 0.300 531 G HA3 0.398 4.358 3.960 -0.001 0.000 0.300 531 G C -1.823 173.080 174.900 0.005 0.000 1.391 531 G CA -0.558 44.224 45.100 -0.531 0.000 0.990 531 G HN 0.456 nan 8.290 nan 0.000 0.501 532 K N 2.143 122.513 120.400 -0.049 0.000 2.572 532 K HA 0.494 4.813 4.320 -0.001 0.000 0.244 532 K C -1.509 174.971 176.600 -0.200 0.000 0.965 532 K CA -0.734 55.509 56.287 -0.075 0.000 0.943 532 K CB 1.403 33.799 32.500 -0.174 0.000 1.154 532 K HN 0.332 nan 8.250 nan 0.000 0.447 533 L N 4.991 126.027 121.223 -0.311 0.000 2.307 533 L HA 0.472 4.811 4.340 -0.001 0.000 0.284 533 L C -1.359 175.221 176.870 -0.483 0.000 1.023 533 L CA -0.516 53.973 54.840 -0.585 0.000 0.810 533 L CB 1.774 42.963 42.059 -1.450 0.000 1.231 533 L HN 0.345 nan 8.230 nan 0.000 0.423 534 V N 5.786 125.360 119.914 -0.567 0.000 2.448 534 V HA 0.531 4.650 4.120 -0.001 0.000 0.295 534 V C -0.695 175.024 176.094 -0.625 0.000 1.025 534 V CA -0.386 61.672 62.300 -0.405 0.000 0.859 534 V CB 1.318 32.992 31.823 -0.248 0.000 0.988 534 V HN 0.548 nan 8.190 nan 0.000 0.431 535 F N 3.047 122.964 119.950 -0.055 0.000 2.540 535 F HA 0.638 5.164 4.527 -0.001 0.000 0.317 535 F C -0.031 175.798 175.800 0.048 0.000 1.104 535 F CA -0.770 57.242 58.000 0.021 0.000 0.913 535 F CB 2.126 41.201 39.000 0.125 0.000 1.170 535 F HN 0.307 nan 8.300 nan 0.000 0.450 536 K N 2.380 122.953 120.400 0.290 0.000 2.463 536 K HA 0.891 5.210 4.320 -0.001 0.000 0.255 536 K C -1.516 175.320 176.600 0.394 0.000 0.942 536 K CA -0.362 56.074 56.287 0.248 0.000 0.814 536 K CB 1.525 34.093 32.500 0.114 0.000 1.122 536 K HN 0.830 nan 8.250 nan 0.000 0.425 537 A N 3.400 126.447 122.820 0.378 0.000 2.486 537 A HA 0.650 4.969 4.320 -0.001 0.000 0.289 537 A C -1.516 176.129 177.584 0.102 0.000 1.176 537 A CA -0.829 51.411 52.037 0.337 0.000 0.757 537 A CB 1.533 20.664 19.000 0.217 0.000 1.337 537 A HN 0.695 nan 8.150 nan 0.000 0.423 538 K N -0.229 120.016 120.400 -0.258 0.000 2.221 538 K HA 0.770 5.090 4.320 -0.001 0.000 0.243 538 K C -1.347 175.096 176.600 -0.262 0.000 0.968 538 K CA -0.453 55.441 56.287 -0.654 0.000 0.846 538 K CB 1.199 33.070 32.500 -1.049 0.000 1.141 538 K HN 0.586 nan 8.250 nan 0.000 0.434 539 L N 3.304 124.386 121.223 -0.235 0.000 2.334 539 L HA 0.534 4.873 4.340 -0.001 0.000 0.275 539 L C 0.124 176.929 176.870 -0.109 0.000 1.036 539 L CA -1.036 53.742 54.840 -0.103 0.000 0.807 539 L CB 1.536 43.562 42.059 -0.054 0.000 1.231 539 L HN 0.702 nan 8.230 nan 0.000 0.438 540 R N 1.959 122.416 120.500 -0.072 0.000 2.308 540 R HA 0.737 5.076 4.340 -0.001 0.000 0.305 540 R C -0.738 175.516 176.300 -0.077 0.000 1.053 540 R CA -0.447 55.619 56.100 -0.057 0.000 0.957 540 R CB 1.154 31.431 30.300 -0.039 0.000 1.022 540 R HN 0.607 nan 8.270 nan 0.000 0.461 541 A N 2.362 125.128 122.820 -0.090 0.000 2.320 541 A HA 0.439 4.759 4.320 -0.001 0.000 0.334 541 A C -0.357 177.096 177.584 -0.218 0.000 1.147 541 A CA -0.748 51.181 52.037 -0.180 0.000 0.820 541 A CB 1.656 20.497 19.000 -0.264 0.000 1.218 541 A HN 0.847 nan 8.150 nan 0.000 0.482 542 S N -0.674 114.878 115.700 -0.247 0.000 2.586 542 S HA 0.466 4.936 4.470 -0.001 0.000 0.274 542 S C 0.197 174.607 174.600 -0.318 0.000 1.281 542 S CA -0.008 58.082 58.200 -0.184 0.000 1.035 542 S CB 0.319 63.440 63.200 -0.132 0.000 0.962 542 S HN 0.763 nan 8.310 nan 0.000 0.512 543 H N 0.554 119.629 119.070 0.010 0.000 3.771 543 H HA 0.209 4.764 4.556 -0.001 0.000 0.260 543 H C 0.938 176.299 175.328 0.056 0.000 1.158 543 H CA 0.475 56.539 56.048 0.027 0.000 1.170 543 H CB 0.833 30.612 29.762 0.028 0.000 1.539 543 H HN 0.761 nan 8.280 nan 0.000 0.634 544 T N -2.902 111.749 114.554 0.161 0.000 2.920 544 T HA -0.021 4.329 4.350 -0.001 0.000 0.292 544 T C 0.626 175.438 174.700 0.186 0.000 1.093 544 T CA -0.665 61.536 62.100 0.168 0.000 0.944 544 T CB 1.395 70.347 68.868 0.141 0.000 1.605 544 T HN 0.353 nan 8.240 nan 0.000 0.590 545 W N 1.320 122.629 121.300 0.015 0.000 3.097 545 W HA 0.224 4.884 4.660 -0.001 0.000 0.245 545 W C -0.250 176.265 176.519 -0.006 0.000 1.120 545 W CA 0.076 57.422 57.345 0.002 0.000 1.468 545 W CB -0.224 29.237 29.460 0.002 0.000 0.851 545 W HN 0.839 nan 8.180 nan 0.000 0.692 546 N N 3.017 121.908 118.700 0.318 0.000 2.488 546 N HA 0.269 5.008 4.740 -0.001 0.000 0.274 546 N C -2.563 172.991 175.510 0.072 0.000 1.111 546 N CA -0.978 52.188 53.050 0.193 0.000 0.974 546 N CB 0.494 39.065 38.487 0.139 0.000 1.089 546 N HN -0.224 nan 8.380 nan 0.000 0.465 547 P HA 0.082 nan 4.420 nan 0.000 0.269 547 P C -0.283 177.025 177.300 0.013 0.000 1.217 547 P CA 0.039 63.137 63.100 -0.003 0.000 0.783 547 P CB 0.702 32.393 31.700 -0.016 0.000 0.898 548 I N 0.565 121.141 120.570 0.009 0.000 2.566 548 I HA 0.188 4.358 4.170 -0.001 0.000 0.303 548 I C 1.063 177.192 176.117 0.020 0.000 0.983 548 I CA -0.930 60.386 61.300 0.026 0.000 1.235 548 I CB 0.877 38.898 38.000 0.034 0.000 1.386 548 I HN 0.343 nan 8.210 nan 0.000 0.494 549 Q N 5.170 124.991 119.800 0.034 0.000 2.262 549 Q HA 0.063 4.402 4.340 -0.001 0.000 0.272 549 Q C -0.956 175.063 176.000 0.031 0.000 1.076 549 Q CA -0.054 55.762 55.803 0.022 0.000 0.905 549 Q CB 0.613 29.355 28.738 0.007 0.000 1.182 549 Q HN 0.430 nan 8.270 nan 0.000 0.390 550 Q N 3.061 122.867 119.800 0.010 0.000 2.333 550 Q HA 0.380 4.720 4.340 -0.001 0.000 0.266 550 Q C -0.692 175.308 176.000 -0.001 0.000 1.053 550 Q CA -0.784 55.017 55.803 -0.003 0.000 0.890 550 Q CB 1.698 30.422 28.738 -0.023 0.000 1.337 550 Q HN 0.719 nan 8.270 nan 0.000 0.474 551 M N 0.799 120.389 119.600 -0.017 0.000 2.264 551 M HA 0.396 4.876 4.480 -0.001 0.000 0.352 551 M C -0.623 175.651 176.300 -0.042 0.000 1.173 551 M CA 0.101 55.390 55.300 -0.018 0.000 1.075 551 M CB 1.126 33.712 32.600 -0.023 0.000 1.621 551 M HN 0.645 nan 8.290 nan 0.000 0.457 552 S N 3.831 119.507 115.700 -0.041 0.000 2.688 552 S HA 0.670 5.140 4.470 -0.001 0.000 0.275 552 S C -1.569 172.988 174.600 -0.072 0.000 1.175 552 S CA -0.819 57.344 58.200 -0.061 0.000 0.818 552 S CB 1.487 64.665 63.200 -0.037 0.000 1.157 552 S HN 0.651 nan 8.310 nan 0.000 0.482 553 I N 3.632 124.154 120.570 -0.079 0.000 2.354 553 I HA 0.398 4.568 4.170 -0.001 0.000 0.286 553 I C -0.138 175.972 176.117 -0.013 0.000 1.007 553 I CA -0.342 60.918 61.300 -0.067 0.000 1.167 553 I CB 0.398 38.325 38.000 -0.120 0.000 1.320 553 I HN 0.631 nan 8.210 nan 0.000 0.458 554 N N 3.967 122.687 118.700 0.032 0.000 2.476 554 N HA 0.314 5.054 4.740 -0.001 0.000 0.287 554 N C 1.101 176.642 175.510 0.051 0.000 1.262 554 N CA -0.671 52.403 53.050 0.040 0.000 0.980 554 N CB 1.104 39.624 38.487 0.056 0.000 1.163 554 N HN 0.255 nan 8.380 nan 0.000 0.592 555 V N 0.202 120.152 119.914 0.061 0.000 3.573 555 V HA -0.006 4.113 4.120 -0.001 0.000 0.270 555 V C 0.140 176.310 176.094 0.128 0.000 1.221 555 V CA 1.159 63.510 62.300 0.086 0.000 1.163 555 V CB -0.685 31.184 31.823 0.077 0.000 0.847 555 V HN 0.596 nan 8.190 nan 0.000 0.468 556 D N -1.002 119.467 120.400 0.114 0.000 2.449 556 D HA 0.079 4.718 4.640 -0.001 0.000 0.210 556 D C 1.419 177.804 176.300 0.141 0.000 1.094 556 D CA 0.126 54.199 54.000 0.123 0.000 0.846 556 D CB 0.488 41.341 40.800 0.089 0.000 1.003 556 D HN 0.443 nan 8.370 nan 0.000 0.504 557 N N 0.949 119.743 118.700 0.158 0.000 2.414 557 N HA -0.037 4.703 4.740 -0.001 0.000 0.189 557 N C 1.476 177.136 175.510 0.249 0.000 1.039 557 N CA 0.049 53.242 53.050 0.239 0.000 0.889 557 N CB 0.625 39.326 38.487 0.356 0.000 1.085 557 N HN 0.029 nan 8.380 nan 0.000 0.442 558 Q N 0.320 120.207 119.800 0.146 0.000 2.463 558 Q HA -0.258 4.082 4.340 -0.001 0.000 0.231 558 Q C 0.750 176.671 176.000 -0.132 0.000 1.097 558 Q CA 2.293 58.028 55.803 -0.114 0.000 0.992 558 Q CB -0.654 27.807 28.738 -0.461 0.000 0.999 558 Q HN 0.349 nan 8.270 nan 0.000 0.536 559 F N 0.120 120.146 119.950 0.126 0.000 2.697 559 F HA 0.095 4.622 4.527 -0.001 0.000 0.297 559 F C 1.593 177.408 175.800 0.024 0.000 1.203 559 F CA 0.221 58.269 58.000 0.079 0.000 1.421 559 F CB -0.127 38.904 39.000 0.052 0.000 1.033 559 F HN 0.183 nan 8.300 nan 0.000 0.512 560 N N -1.294 117.439 118.700 0.055 0.000 2.227 560 N HA 0.020 4.759 4.740 -0.001 0.000 0.196 560 N C 0.132 175.420 175.510 -0.370 0.000 1.142 560 N CA 0.396 53.322 53.050 -0.207 0.000 0.887 560 N CB 0.421 38.650 38.487 -0.431 0.000 1.022 560 N HN 0.313 nan 8.380 nan 0.000 0.500 561 Y N 0.169 120.528 120.300 0.099 0.000 2.706 561 Y HA 0.396 4.945 4.550 -0.001 0.000 0.255 561 Y C -0.288 175.673 175.900 0.102 0.000 1.163 561 Y CA -0.274 57.892 58.100 0.109 0.000 1.174 561 Y CB 0.882 39.385 38.460 0.072 0.000 1.200 561 Y HN -0.291 nan 8.280 nan 0.000 0.544 562 V N 1.121 121.157 119.914 0.203 0.000 2.932 562 V HA 0.419 4.539 4.120 -0.001 0.000 0.307 562 V C -2.299 173.890 176.094 0.158 0.000 1.147 562 V CA -2.155 60.243 62.300 0.163 0.000 0.951 562 V CB 2.576 34.463 31.823 0.105 0.000 1.031 562 V HN -0.102 nan 8.190 nan 0.000 0.426 563 P HA 0.206 nan 4.420 nan 0.000 0.272 563 P C -1.056 176.303 177.300 0.098 0.000 1.254 563 P CA -0.196 62.959 63.100 0.092 0.000 0.795 563 P CB 0.438 32.159 31.700 0.036 0.000 1.022 564 N N -0.164 118.578 118.700 0.070 0.000 2.405 564 N HA 0.057 4.797 4.740 -0.001 0.000 0.285 564 N C 0.849 176.379 175.510 0.034 0.000 1.262 564 N CA -0.709 52.381 53.050 0.066 0.000 0.773 564 N CB 1.000 39.521 38.487 0.057 0.000 1.490 564 N HN 0.397 nan 8.380 nan 0.000 0.486 565 N N 0.866 119.583 118.700 0.028 0.000 2.268 565 N HA -0.255 4.484 4.740 -0.001 0.000 0.201 565 N C 0.954 176.468 175.510 0.007 0.000 0.971 565 N CA 1.738 54.797 53.050 0.014 0.000 0.926 565 N CB -0.370 38.121 38.487 0.006 0.000 1.031 565 N HN 0.642 nan 8.380 nan 0.000 0.505 566 I N -1.121 119.454 120.570 0.008 0.000 3.708 566 I HA 0.171 4.341 4.170 -0.001 0.000 0.302 566 I C 1.127 177.247 176.117 0.006 0.000 1.255 566 I CA 0.537 61.840 61.300 0.004 0.000 1.362 566 I CB 0.276 38.277 38.000 0.003 0.000 1.100 566 I HN 0.358 nan 8.210 nan 0.000 0.434 567 G N 2.359 111.166 108.800 0.011 0.000 2.427 567 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.193 567 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.193 567 G C 0.025 174.938 174.900 0.022 0.000 1.086 567 G CA -0.183 44.927 45.100 0.016 0.000 0.818 567 G HN 0.428 nan 8.290 nan 0.000 0.490 568 A N 1.158 123.989 122.820 0.019 0.000 2.316 568 A HA 0.809 5.128 4.320 -0.001 0.000 0.311 568 A C 0.490 178.077 177.584 0.005 0.000 1.339 568 A CA -0.007 52.032 52.037 0.004 0.000 0.960 568 A CB 0.324 19.332 19.000 0.014 0.000 1.152 568 A HN 0.430 nan 8.150 nan 0.000 0.547 569 M N 2.005 121.564 119.600 -0.067 0.000 2.654 569 M HA 0.626 5.105 4.480 -0.001 0.000 0.310 569 M C -0.077 176.140 176.300 -0.138 0.000 1.211 569 M CA -0.391 54.843 55.300 -0.111 0.000 0.947 569 M CB 1.719 34.133 32.600 -0.311 0.000 1.647 569 M HN 0.852 nan 8.290 nan 0.000 0.481 570 K N 0.529 120.957 120.400 0.048 0.000 2.675 570 K HA 0.556 4.875 4.320 -0.001 0.000 0.280 570 K C -2.139 174.617 176.600 0.260 0.000 0.993 570 K CA -0.678 55.731 56.287 0.204 0.000 0.863 570 K CB 0.990 33.561 32.500 0.118 0.000 1.438 570 K HN 0.609 nan 8.250 nan 0.000 0.389 571 I N 2.916 123.619 120.570 0.221 0.000 2.410 571 I HA 0.278 4.448 4.170 -0.001 0.000 0.286 571 I C -0.334 175.752 176.117 -0.052 0.000 1.009 571 I CA -1.329 60.014 61.300 0.072 0.000 1.111 571 I CB 1.927 39.915 38.000 -0.020 0.000 1.262 571 I HN 0.391 nan 8.210 nan 0.000 0.443 572 V N 6.096 125.972 119.914 -0.063 0.000 2.904 572 V HA 0.133 4.252 4.120 -0.001 0.000 0.305 572 V C -0.338 175.651 176.094 -0.174 0.000 1.067 572 V CA -0.458 61.784 62.300 -0.097 0.000 1.044 572 V CB 1.233 32.957 31.823 -0.165 0.000 1.050 572 V HN 0.591 nan 8.190 nan 0.000 0.475 573 Y N 1.200 121.225 120.300 -0.459 0.000 2.304 573 Y HA 0.693 5.242 4.550 -0.001 0.000 0.327 573 Y C -0.147 175.616 175.900 -0.228 0.000 1.209 573 Y CA -0.750 56.968 58.100 -0.637 0.000 1.299 573 Y CB 0.605 37.947 38.460 -1.864 0.000 1.249 573 Y HN 0.679 nan 8.280 nan 0.000 0.519 574 E N 3.344 123.444 120.200 -0.166 0.000 2.304 574 E HA 0.208 4.557 4.350 -0.001 0.000 0.277 574 E C -1.288 175.425 176.600 0.188 0.000 0.898 574 E CA -1.270 55.051 56.400 -0.131 0.000 0.764 574 E CB 1.828 31.534 29.700 0.010 0.000 1.216 574 E HN 0.573 nan 8.360 nan 0.000 0.419 575 K N 1.393 121.879 120.400 0.144 0.000 2.524 575 K HA -0.006 4.314 4.320 -0.001 0.000 0.279 575 K C 0.873 177.595 176.600 0.203 0.000 0.993 575 K CA 0.403 56.795 56.287 0.176 0.000 1.030 575 K CB 0.627 32.944 32.500 -0.304 0.000 0.891 575 K HN 0.633 nan 8.250 nan 0.000 0.488 576 S N 2.973 118.831 115.700 0.263 0.000 2.346 576 S HA -0.096 4.373 4.470 -0.001 0.000 0.204 576 S C 0.510 175.141 174.600 0.052 0.000 1.008 576 S CA -0.068 58.249 58.200 0.195 0.000 0.925 576 S CB -0.193 63.112 63.200 0.176 0.000 0.903 576 S HN 0.615 nan 8.310 nan 0.000 0.537 577 Q N 2.787 122.628 119.800 0.069 0.000 2.359 577 Q HA 0.358 4.697 4.340 -0.001 0.000 0.249 577 Q C -0.752 175.363 176.000 0.191 0.000 1.181 577 Q CA -0.014 55.860 55.803 0.119 0.000 0.897 577 Q CB -0.248 28.592 28.738 0.170 0.000 1.424 577 Q HN 0.612 nan 8.270 nan 0.000 0.478 578 L N -0.514 120.854 121.223 0.242 0.000 2.488 578 L HA 0.914 5.253 4.340 -0.001 0.000 0.250 578 L C -0.853 176.184 176.870 0.279 0.000 1.280 578 L CA -0.845 54.208 54.840 0.355 0.000 0.929 578 L CB 0.706 42.947 42.059 0.304 0.000 1.200 578 L HN 0.370 nan 8.230 nan 0.000 0.495 579 A N 2.391 125.471 122.820 0.434 0.000 2.549 579 A HA 0.711 5.031 4.320 -0.001 0.000 0.306 579 A C -3.091 174.567 177.584 0.125 0.000 1.053 579 A CA -0.756 51.427 52.037 0.244 0.000 0.892 579 A CB 1.155 20.232 19.000 0.128 0.000 1.329 579 A HN 0.339 nan 8.150 nan 0.000 0.388 580 P HA 0.447 nan 4.420 nan 0.000 0.270 580 P C -0.402 176.880 177.300 -0.031 0.000 1.223 580 P CA 0.028 63.075 63.100 -0.088 0.000 0.785 580 P CB 0.499 32.256 31.700 0.095 0.000 0.923 581 R N 0.531 120.999 120.500 -0.053 0.000 2.522 581 R HA 0.297 4.637 4.340 -0.001 0.000 0.273 581 R C -0.856 175.398 176.300 -0.077 0.000 1.133 581 R CA -0.906 55.173 56.100 -0.035 0.000 0.969 581 R CB 1.181 31.455 30.300 -0.044 0.000 1.235 581 R HN 0.374 nan 8.270 nan 0.000 0.433 582 K N 4.880 125.253 120.400 -0.045 0.000 2.339 582 K HA 0.088 4.407 4.320 -0.001 0.000 0.286 582 K C -0.126 176.407 176.600 -0.112 0.000 1.050 582 K CA -0.409 55.823 56.287 -0.093 0.000 0.956 582 K CB 1.184 33.667 32.500 -0.028 0.000 0.990 582 K HN 0.755 nan 8.250 nan 0.000 0.475 583 L N 4.143 125.258 121.223 -0.180 0.000 2.131 583 L HA 0.070 4.409 4.340 -0.001 0.000 0.206 583 L C -0.068 176.827 176.870 0.041 0.000 1.087 583 L CA 1.080 55.860 54.840 -0.101 0.000 0.767 583 L CB 0.069 42.023 42.059 -0.176 0.000 0.917 583 L HN 0.885 nan 8.230 nan 0.000 0.441 584 Y N 0.000 120.216 120.300 -0.140 0.000 2.660 584 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 584 Y CA 0.000 58.048 58.100 -0.087 0.000 1.940 584 Y CB 0.000 38.411 38.460 -0.082 0.000 1.050 584 Y HN 0.000 nan 8.280 nan 0.000 0.758