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 3cli_1_B DATA FIRST_RESID 52 DATA SEQUENCE LPIRNIPGNY GLPIVGPIKD RWDYFYDQGA EEFFKSRIRK YNSTVYRVNM DATA SEQUENCE PPGAFIAENP QVVALLDGKS FPVLFDVDKV EKKDLFTGTY MPSTELTGGY DATA SEQUENCE RILSYLDPSE PKHEKLKNLL FFLLKSSRNR IFPEFQATYS ELFDSLEKEL DATA SEQUENCE SLKGKADFGG SSDGTAFNFL ARAFYGTNPA DTKLKADAPG LITKWVLFNL DATA SEQUENCE HPLLSIGLPR VIEEPLIHTF SLPPALVKSD YQRLYEFFLE SAGEILVEAD DATA SEQUENCE KLGISREEAT HNLLFATCFN TWGGMKILFP NMVKRIGRAG HQVHNRLAEE DATA SEQUENCE IRSVIKSNGG ELTMGAIEKM ELTKSVVYEC LRFEPPVTAQ YGRAKKDLVI DATA SEQUENCE ESHDAAFKVK AGEMLYGYQP LATRDPKIFD RADEFVPERF VGEEGEKLLR DATA SEQUENCE HVLWSNGPET ETPTVGNKQC AGKDFVVLVA RLFVIEIFRR YDSFDIEVGT DATA SEQUENCE SPLGSSVNFS SLRKA 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 52 L HA 0.000 nan 4.340 nan 0.000 0.249 52 L C 0.000 176.819 176.870 -0.085 0.000 1.165 52 L CA 0.000 54.806 54.840 -0.057 0.000 0.813 52 L CB 0.000 42.038 42.059 -0.034 0.000 0.961 53 P HA 0.222 nan 4.420 nan 0.000 0.271 53 P C -0.662 176.527 177.300 -0.186 0.000 1.220 53 P CA 0.396 63.428 63.100 -0.112 0.000 0.768 53 P CB 0.768 32.413 31.700 -0.093 0.000 0.848 54 I N 4.108 124.585 120.570 -0.156 0.000 2.379 54 I HA 0.179 4.349 4.170 -0.001 0.000 0.290 54 I C 1.170 177.177 176.117 -0.184 0.000 1.063 54 I CA 0.007 61.192 61.300 -0.191 0.000 1.351 54 I CB 0.289 38.224 38.000 -0.109 0.000 1.410 54 I HN 0.183 nan 8.210 nan 0.000 0.505 55 R N 4.564 124.889 120.500 -0.291 0.000 2.803 55 R HA 0.427 4.767 4.340 -0.001 0.000 0.276 55 R C -0.567 175.747 176.300 0.023 0.000 0.978 55 R CA -1.175 54.836 56.100 -0.149 0.000 0.939 55 R CB 1.155 31.352 30.300 -0.171 0.000 1.179 55 R HN 0.460 nan 8.270 nan 0.000 0.472 56 N N 1.432 120.182 118.700 0.084 0.000 2.441 56 N HA 0.038 4.778 4.740 -0.001 0.000 0.251 56 N C -0.098 175.564 175.510 0.254 0.000 1.242 56 N CA 0.373 53.502 53.050 0.131 0.000 0.898 56 N CB 0.499 39.023 38.487 0.062 0.000 1.100 56 N HN 0.380 nan 8.380 nan 0.000 0.443 57 I N 3.771 124.458 120.570 0.196 0.000 2.517 57 I HA 0.075 4.245 4.170 -0.001 0.000 0.285 57 I C -1.505 174.566 176.117 -0.076 0.000 1.106 57 I CA -1.284 60.040 61.300 0.039 0.000 1.402 57 I CB 0.396 38.343 38.000 -0.089 0.000 1.399 57 I HN 0.287 nan 8.210 nan 0.000 0.535 58 P HA 0.423 nan 4.420 nan 0.000 0.276 58 P C -0.038 176.908 177.300 -0.590 0.000 1.261 58 P CA 0.080 63.022 63.100 -0.263 0.000 0.800 58 P CB 1.139 32.737 31.700 -0.170 0.000 1.066 59 G N 0.185 108.483 108.800 -0.838 0.000 2.570 59 G HA2 0.054 4.013 3.960 -0.001 0.000 0.686 59 G HA3 0.054 4.013 3.960 -0.001 0.000 0.686 59 G C -1.317 173.258 174.900 -0.542 0.000 1.257 59 G CA -0.582 43.883 45.100 -1.058 0.000 0.846 59 G HN 1.022 nan 8.290 nan 0.000 0.627 60 N N -1.187 117.260 118.700 -0.421 0.000 2.610 60 N HA 0.401 5.140 4.740 -0.001 0.000 0.264 60 N C -0.128 175.163 175.510 -0.365 0.000 1.348 60 N CA -1.054 51.749 53.050 -0.411 0.000 0.819 60 N CB 1.209 39.589 38.487 -0.178 0.000 1.521 60 N HN 0.540 nan 8.380 nan 0.000 0.497 61 Y N 0.006 120.298 120.300 -0.013 0.000 2.466 61 Y HA 0.275 4.824 4.550 -0.001 0.000 0.272 61 Y C 1.760 177.650 175.900 -0.016 0.000 1.169 61 Y CA 0.417 58.512 58.100 -0.009 0.000 1.285 61 Y CB -0.046 38.405 38.460 -0.014 0.000 1.078 61 Y HN 0.945 nan 8.280 nan 0.000 0.523 62 G N 0.917 109.759 108.800 0.071 0.000 2.750 62 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.228 62 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.228 62 G C -0.523 174.393 174.900 0.028 0.000 1.367 62 G CA -0.720 44.400 45.100 0.033 0.000 0.871 62 G HN 0.157 nan 8.290 nan 0.000 0.560 63 L N 2.284 123.507 121.223 0.001 0.000 2.483 63 L HA 0.319 4.659 4.340 -0.001 0.000 0.275 63 L C -1.169 175.691 176.870 -0.016 0.000 1.220 63 L CA -1.245 53.590 54.840 -0.008 0.000 0.833 63 L CB 0.193 42.240 42.059 -0.021 0.000 1.102 63 L HN 0.491 nan 8.230 nan 0.000 0.490 64 P HA 0.095 nan 4.420 nan 0.000 0.267 64 P C 0.862 178.128 177.300 -0.057 0.000 1.200 64 P CA -0.004 63.077 63.100 -0.031 0.000 0.772 64 P CB 0.920 32.606 31.700 -0.023 0.000 0.855 65 I N -0.273 120.249 120.570 -0.080 0.000 4.473 65 I HA -0.396 3.774 4.170 -0.001 0.000 0.062 65 I C 1.904 177.935 176.117 -0.142 0.000 0.603 65 I CA 1.903 63.133 61.300 -0.117 0.000 0.966 65 I CB -1.818 36.121 38.000 -0.102 0.000 0.870 65 I HN 0.100 nan 8.210 nan 0.000 0.168 66 V N 1.101 120.941 119.914 -0.124 0.000 2.427 66 V HA -0.144 3.975 4.120 -0.001 0.000 0.248 66 V C 2.506 178.506 176.094 -0.157 0.000 1.051 66 V CA 2.451 64.657 62.300 -0.156 0.000 1.048 66 V CB -1.206 30.549 31.823 -0.113 0.000 0.666 66 V HN 0.698 nan 8.190 nan 0.000 0.456 67 G N 1.092 109.836 108.800 -0.094 0.000 2.545 67 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.217 67 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.217 67 G C -0.139 174.723 174.900 -0.064 0.000 1.218 67 G CA 1.341 46.409 45.100 -0.053 0.000 0.787 67 G HN 0.510 nan 8.290 nan 0.000 0.571 68 P HA -0.082 nan 4.420 nan 0.000 0.216 68 P C 1.879 179.081 177.300 -0.163 0.000 1.153 68 P CA 0.827 63.869 63.100 -0.096 0.000 0.858 68 P CB -0.016 31.611 31.700 -0.121 0.000 0.789 69 I N -0.106 120.310 120.570 -0.256 0.000 2.202 69 I HA -0.196 3.974 4.170 -0.001 0.000 0.242 69 I C 2.301 178.063 176.117 -0.591 0.000 1.091 69 I CA 1.469 62.501 61.300 -0.447 0.000 1.368 69 I CB -1.501 36.156 38.000 -0.572 0.000 1.058 69 I HN 0.042 nan 8.210 nan 0.000 0.410 70 K N 0.757 120.902 120.400 -0.425 0.000 2.063 70 K HA -0.227 4.093 4.320 -0.001 0.000 0.208 70 K C 1.691 178.293 176.600 0.003 0.000 1.048 70 K CA 1.809 57.961 56.287 -0.226 0.000 0.928 70 K CB -0.006 32.422 32.500 -0.120 0.000 0.713 70 K HN 0.221 nan 8.250 nan 0.000 0.442 71 D N 0.081 120.494 120.400 0.022 0.000 2.144 71 D HA -0.171 4.469 4.640 -0.001 0.000 0.199 71 D C 1.990 178.344 176.300 0.090 0.000 0.984 71 D CA 0.824 54.931 54.000 0.179 0.000 0.834 71 D CB -0.120 40.798 40.800 0.198 0.000 0.955 71 D HN 0.259 nan 8.370 nan 0.000 0.465 72 R N -0.091 120.392 120.500 -0.028 0.000 2.075 72 R HA -0.133 4.207 4.340 -0.001 0.000 0.232 72 R C 2.097 178.562 176.300 0.275 0.000 1.126 72 R CA 0.983 57.060 56.100 -0.039 0.000 0.963 72 R CB -0.271 30.045 30.300 0.026 0.000 0.858 72 R HN 0.170 nan 8.270 nan 0.000 0.435 73 W N 1.744 123.141 121.300 0.162 0.000 2.335 73 W HA -0.167 4.493 4.660 -0.000 0.000 0.311 73 W C 1.893 178.526 176.519 0.189 0.000 1.213 73 W CA 0.707 58.228 57.345 0.293 0.000 1.274 73 W CB -1.133 28.483 29.460 0.260 0.000 1.148 73 W HN 0.187 nan 8.180 nan 0.000 0.498 74 D N -1.441 119.176 120.400 0.362 0.000 2.104 74 D HA -0.225 4.415 4.640 -0.001 0.000 0.194 74 D C 1.932 178.299 176.300 0.112 0.000 0.994 74 D CA 1.503 55.664 54.000 0.268 0.000 0.830 74 D CB -0.926 40.083 40.800 0.348 0.000 0.959 74 D HN 0.177 nan 8.370 nan 0.000 0.452 75 Y N -0.189 119.917 120.300 -0.323 0.000 2.128 75 Y HA -0.235 4.314 4.550 -0.001 0.000 0.284 75 Y C 2.074 177.590 175.900 -0.640 0.000 1.154 75 Y CA 1.728 59.306 58.100 -0.871 0.000 1.149 75 Y CB -0.391 37.197 38.460 -1.452 0.000 0.976 75 Y HN -0.052 nan 8.280 nan 0.000 0.505 76 F N -2.921 116.855 119.950 -0.289 0.000 2.374 76 F HA -0.055 4.472 4.527 -0.000 0.000 0.291 76 F C 1.306 176.728 175.800 -0.630 0.000 1.084 76 F CA 0.786 58.423 58.000 -0.605 0.000 1.413 76 F CB -0.144 38.225 39.000 -1.051 0.000 1.099 76 F HN -0.006 nan 8.300 nan 0.000 0.534 77 Y N -1.384 119.036 120.300 0.201 0.000 2.594 77 Y HA 0.070 4.620 4.550 -0.000 0.000 0.283 77 Y C 1.644 177.578 175.900 0.057 0.000 1.140 77 Y CA -0.205 57.953 58.100 0.098 0.000 1.261 77 Y CB -0.083 38.396 38.460 0.031 0.000 1.358 77 Y HN -0.206 nan 8.280 nan 0.000 0.513 78 D N -0.248 120.286 120.400 0.224 0.000 2.333 78 D HA -0.018 4.622 4.640 -0.001 0.000 0.208 78 D C 1.247 177.601 176.300 0.090 0.000 0.984 78 D CA 0.932 55.022 54.000 0.151 0.000 0.873 78 D CB 0.382 41.286 40.800 0.174 0.000 0.935 78 D HN 0.516 nan 8.370 nan 0.000 0.521 79 Q N -0.545 119.293 119.800 0.064 0.000 2.527 79 Q HA 0.345 4.685 4.340 -0.001 0.000 0.252 79 Q C 0.692 176.665 176.000 -0.044 0.000 0.827 79 Q CA 0.370 56.185 55.803 0.021 0.000 0.979 79 Q CB 2.011 30.778 28.738 0.047 0.000 1.248 79 Q HN 0.133 nan 8.270 nan 0.000 0.578 80 G N 0.902 109.619 108.800 -0.139 0.000 2.733 80 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.686 80 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.686 80 G C 0.446 175.108 174.900 -0.398 0.000 1.373 80 G CA -0.195 44.744 45.100 -0.268 0.000 0.838 80 G HN 0.323 nan 8.290 nan 0.000 0.588 81 A N -0.002 122.455 122.820 -0.606 0.000 1.865 81 A HA -0.012 4.307 4.320 -0.001 0.000 0.217 81 A C 2.169 179.578 177.584 -0.291 0.000 1.191 81 A CA 2.502 54.108 52.037 -0.717 0.000 0.623 81 A CB -0.585 18.068 19.000 -0.579 0.000 0.826 81 A HN 1.164 nan 8.150 nan 0.000 0.444 82 E N -0.745 119.396 120.200 -0.099 0.000 2.058 82 E HA -0.278 4.072 4.350 -0.001 0.000 0.194 82 E C 2.031 178.675 176.600 0.074 0.000 0.997 82 E CA 1.605 58.045 56.400 0.066 0.000 0.801 82 E CB -0.110 29.680 29.700 0.152 0.000 0.746 82 E HN 0.584 nan 8.360 nan 0.000 0.450 83 E N 0.040 120.250 120.200 0.016 0.000 2.106 83 E HA -0.175 4.175 4.350 -0.001 0.000 0.192 83 E C 1.721 178.317 176.600 -0.007 0.000 0.984 83 E CA 0.991 57.400 56.400 0.016 0.000 0.806 83 E CB -0.538 29.163 29.700 0.002 0.000 0.750 83 E HN 0.356 nan 8.360 nan 0.000 0.458 84 F N -0.104 119.698 119.950 -0.247 0.000 2.087 84 F HA -0.257 4.269 4.527 -0.000 0.000 0.299 84 F C 1.600 177.231 175.800 -0.282 0.000 1.100 84 F CA 1.831 59.622 58.000 -0.348 0.000 1.226 84 F CB -0.365 38.283 39.000 -0.587 0.000 0.983 84 F HN 0.072 nan 8.300 nan 0.000 0.479 85 F N 0.554 120.574 119.950 0.117 0.000 2.149 85 F HA -0.015 4.511 4.527 -0.000 0.000 0.294 85 F C 2.338 178.205 175.800 0.111 0.000 1.095 85 F CA 1.254 59.336 58.000 0.137 0.000 1.276 85 F CB -1.020 38.067 39.000 0.145 0.000 1.023 85 F HN -0.183 nan 8.300 nan 0.000 0.480 86 K N 0.354 120.894 120.400 0.233 0.000 2.057 86 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 86 K C 2.262 178.884 176.600 0.036 0.000 1.049 86 K CA 1.753 58.127 56.287 0.146 0.000 0.931 86 K CB -0.508 32.063 32.500 0.117 0.000 0.714 86 K HN 0.330 nan 8.250 nan 0.000 0.440 87 S N 1.033 116.704 115.700 -0.049 0.000 2.399 87 S HA -0.125 4.344 4.470 -0.001 0.000 0.231 87 S C 1.958 176.404 174.600 -0.257 0.000 1.022 87 S CA 0.813 58.930 58.200 -0.139 0.000 0.983 87 S CB -0.180 62.922 63.200 -0.163 0.000 0.803 87 S HN 0.257 nan 8.310 nan 0.000 0.480 88 R N 0.532 120.839 120.500 -0.322 0.000 2.127 88 R HA 0.331 4.671 4.340 -0.001 0.000 0.217 88 R C 2.248 178.281 176.300 -0.446 0.000 1.074 88 R CA 1.008 56.734 56.100 -0.623 0.000 0.991 88 R CB -0.460 29.320 30.300 -0.867 0.000 0.895 88 R HN 0.420 nan 8.270 nan 0.000 0.450 89 I N 0.745 121.316 120.570 0.003 0.000 2.163 89 I HA -0.334 3.836 4.170 -0.001 0.000 0.243 89 I C 2.353 178.488 176.117 0.029 0.000 1.085 89 I CA 1.561 62.969 61.300 0.181 0.000 1.347 89 I CB -0.214 37.932 38.000 0.244 0.000 1.044 89 I HN 0.162 nan 8.210 nan 0.000 0.408 90 R N 0.508 120.978 120.500 -0.049 0.000 2.066 90 R HA -0.172 4.167 4.340 -0.001 0.000 0.232 90 R C 2.370 178.580 176.300 -0.149 0.000 1.131 90 R CA 1.199 57.258 56.100 -0.069 0.000 0.955 90 R CB -0.340 29.919 30.300 -0.069 0.000 0.851 90 R HN 0.290 nan 8.270 nan 0.000 0.432 91 K N 0.194 120.403 120.400 -0.318 0.000 2.044 91 K HA -0.191 4.128 4.320 -0.001 0.000 0.210 91 K C 1.279 177.637 176.600 -0.403 0.000 1.049 91 K CA 1.684 57.684 56.287 -0.478 0.000 0.927 91 K CB -0.024 31.960 32.500 -0.859 0.000 0.713 91 K HN 0.171 nan 8.250 nan 0.000 0.443 92 Y N -0.005 120.203 120.300 -0.154 0.000 2.457 92 Y HA 0.180 4.729 4.550 -0.001 0.000 0.263 92 Y C -0.002 175.893 175.900 -0.007 0.000 1.164 92 Y CA -0.012 58.028 58.100 -0.100 0.000 1.274 92 Y CB -0.287 38.079 38.460 -0.156 0.000 1.097 92 Y HN 0.210 nan 8.280 nan 0.000 0.523 93 N N 0.055 118.820 118.700 0.109 0.000 2.735 93 N HA -0.206 4.534 4.740 -0.001 0.000 0.248 93 N C -0.528 175.087 175.510 0.174 0.000 1.083 93 N CA 0.855 53.974 53.050 0.115 0.000 0.703 93 N CB -0.966 37.575 38.487 0.089 0.000 1.005 93 N HN 0.154 nan 8.380 nan 0.000 0.550 94 S N -1.722 114.115 115.700 0.227 0.000 2.543 94 S HA 0.452 4.922 4.470 -0.001 0.000 0.273 94 S C 0.699 175.478 174.600 0.299 0.000 1.152 94 S CA -0.150 58.208 58.200 0.263 0.000 0.910 94 S CB 1.219 64.574 63.200 0.259 0.000 1.105 94 S HN 0.275 nan 8.310 nan 0.000 0.465 95 T N 0.423 115.103 114.554 0.210 0.000 3.107 95 T HA 0.329 4.679 4.350 -0.001 0.000 0.249 95 T C 0.132 174.798 174.700 -0.057 0.000 1.096 95 T CA 0.006 62.190 62.100 0.141 0.000 1.012 95 T CB -0.203 68.750 68.868 0.142 0.000 0.977 95 T HN 0.341 nan 8.240 nan 0.000 0.527 96 V N 2.725 122.546 119.914 -0.155 0.000 2.443 96 V HA 0.676 4.796 4.120 -0.001 0.000 0.293 96 V C -1.076 174.774 176.094 -0.408 0.000 1.021 96 V CA -1.197 60.825 62.300 -0.463 0.000 0.848 96 V CB 0.759 32.085 31.823 -0.827 0.000 0.998 96 V HN 0.602 nan 8.190 nan 0.000 0.424 97 Y N 2.263 122.400 120.300 -0.272 0.000 2.656 97 Y HA 0.732 5.282 4.550 -0.001 0.000 0.334 97 Y C -0.607 175.156 175.900 -0.228 0.000 1.179 97 Y CA -1.794 56.121 58.100 -0.309 0.000 1.050 97 Y CB 1.185 39.472 38.460 -0.287 0.000 1.308 97 Y HN 0.437 nan 8.280 nan 0.000 0.456 98 R N 1.479 121.933 120.500 -0.076 0.000 2.390 98 R HA 0.688 5.028 4.340 -0.001 0.000 0.291 98 R C -1.274 175.053 176.300 0.045 0.000 1.070 98 R CA -0.843 55.188 56.100 -0.114 0.000 1.014 98 R CB 1.675 31.634 30.300 -0.568 0.000 1.007 98 R HN 0.653 nan 8.270 nan 0.000 0.466 99 V N 2.772 122.867 119.914 0.301 0.000 3.077 99 V HA 0.213 4.333 4.120 -0.001 0.000 0.299 99 V C -1.294 175.072 176.094 0.453 0.000 1.276 99 V CA -0.927 61.596 62.300 0.371 0.000 0.993 99 V CB 2.715 34.824 31.823 0.477 0.000 1.076 99 V HN 0.846 nan 8.190 nan 0.000 0.434 100 N N 5.378 124.300 118.700 0.370 0.000 2.514 100 N HA 0.547 5.287 4.740 -0.001 0.000 0.277 100 N C -0.624 174.930 175.510 0.073 0.000 1.126 100 N CA -0.360 52.797 53.050 0.178 0.000 0.978 100 N CB 0.679 39.231 38.487 0.108 0.000 1.106 100 N HN 0.504 nan 8.380 nan 0.000 0.461 101 M N 2.332 121.887 119.600 -0.075 0.000 2.528 101 M HA 0.469 4.949 4.480 -0.001 0.000 0.321 101 M C -2.315 173.786 176.300 -0.331 0.000 1.153 101 M CA -2.574 52.561 55.300 -0.274 0.000 0.951 101 M CB 1.307 33.766 32.600 -0.235 0.000 1.705 101 M HN 0.348 nan 8.290 nan 0.000 0.451 102 P HA 0.207 nan 4.420 nan 0.000 0.272 102 P C -2.280 174.883 177.300 -0.228 0.000 1.240 102 P CA -0.701 62.158 63.100 -0.402 0.000 0.791 102 P CB -0.097 31.247 31.700 -0.592 0.000 0.978 103 P HA 0.019 nan 4.420 nan 0.000 0.239 103 P C 1.038 178.243 177.300 -0.160 0.000 1.188 103 P CA 0.853 63.847 63.100 -0.177 0.000 0.794 103 P CB -0.093 31.448 31.700 -0.266 0.000 0.937 104 G N 1.270 109.976 108.800 -0.156 0.000 2.652 104 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.318 104 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.318 104 G C 0.799 175.580 174.900 -0.198 0.000 1.295 104 G CA 1.457 46.460 45.100 -0.162 0.000 0.999 104 G HN 0.642 nan 8.290 nan 0.000 0.548 105 A N -2.948 119.704 122.820 -0.280 0.000 5.483 105 A HA -0.091 4.229 4.320 -0.001 0.000 0.309 105 A C 1.145 178.415 177.584 -0.523 0.000 1.898 105 A CA 3.031 54.784 52.037 -0.474 0.000 0.716 105 A CB -1.337 17.443 19.000 -0.366 0.000 1.309 105 A HN 1.875 nan 8.150 nan 0.000 0.380 106 F N -0.066 119.716 119.950 -0.281 0.000 2.727 106 F HA 0.361 4.888 4.527 -0.001 0.000 0.302 106 F C 1.896 177.611 175.800 -0.140 0.000 1.097 106 F CA 0.662 58.515 58.000 -0.245 0.000 1.330 106 F CB -0.017 38.725 39.000 -0.430 0.000 1.084 106 F HN 0.351 nan 8.300 nan 0.000 0.578 107 I N -0.605 119.951 120.570 -0.022 0.000 2.494 107 I HA 0.075 4.245 4.170 -0.001 0.000 0.250 107 I C 1.241 177.361 176.117 0.005 0.000 1.112 107 I CA 0.272 61.555 61.300 -0.028 0.000 1.438 107 I CB -0.237 37.652 38.000 -0.185 0.000 1.111 107 I HN -0.041 nan 8.210 nan 0.000 0.431 108 A N 1.403 124.204 122.820 -0.033 0.000 2.304 108 A HA 0.316 4.636 4.320 -0.001 0.000 0.323 108 A C 1.039 178.612 177.584 -0.019 0.000 1.195 108 A CA -0.562 51.479 52.037 0.007 0.000 0.826 108 A CB 0.679 19.670 19.000 -0.014 0.000 1.184 108 A HN 0.266 nan 8.150 nan 0.000 0.496 109 E N 2.143 122.342 120.200 -0.002 0.000 2.077 109 E HA -0.131 4.218 4.350 -0.001 0.000 0.193 109 E C 0.036 176.607 176.600 -0.048 0.000 0.989 109 E CA 1.370 57.762 56.400 -0.014 0.000 0.800 109 E CB -0.097 29.600 29.700 -0.004 0.000 0.746 109 E HN 0.481 nan 8.360 nan 0.000 0.452 110 N N 0.716 119.380 118.700 -0.059 0.000 2.549 110 N HA 0.191 4.930 4.740 -0.001 0.000 0.281 110 N C -2.408 173.039 175.510 -0.105 0.000 1.084 110 N CA -1.882 51.112 53.050 -0.093 0.000 0.862 110 N CB 1.994 40.428 38.487 -0.089 0.000 1.333 110 N HN -0.185 nan 8.380 nan 0.000 0.523 111 P HA 0.042 nan 4.420 nan 0.000 0.249 111 P C -0.444 176.767 177.300 -0.148 0.000 1.229 111 P CA 0.401 63.426 63.100 -0.125 0.000 0.788 111 P CB 0.549 32.170 31.700 -0.130 0.000 1.072 112 Q N 0.953 120.585 119.800 -0.280 0.000 2.295 112 Q HA 0.371 4.710 4.340 -0.001 0.000 0.259 112 Q C 0.177 176.066 176.000 -0.185 0.000 0.976 112 Q CA -0.303 55.177 55.803 -0.539 0.000 0.923 112 Q CB 1.674 29.739 28.738 -1.121 0.000 1.185 112 Q HN 0.033 nan 8.270 nan 0.000 0.410 113 V N -0.500 119.455 119.914 0.069 0.000 3.141 113 V HA 0.683 4.803 4.120 -0.001 0.000 0.312 113 V C -0.689 175.535 176.094 0.218 0.000 1.157 113 V CA -0.972 61.413 62.300 0.143 0.000 1.041 113 V CB 2.137 34.047 31.823 0.145 0.000 1.071 113 V HN 0.406 nan 8.190 nan 0.000 0.441 114 V N 2.295 122.277 119.914 0.113 0.000 2.347 114 V HA 0.781 4.900 4.120 -0.001 0.000 0.280 114 V C 0.720 176.789 176.094 -0.043 0.000 1.021 114 V CA 0.150 62.461 62.300 0.019 0.000 0.847 114 V CB 1.000 32.804 31.823 -0.032 0.000 0.990 114 V HN 1.364 nan 8.190 nan 0.000 0.444 115 A N 6.630 129.374 122.820 -0.126 0.000 2.331 115 A HA 0.790 5.110 4.320 -0.001 0.000 0.283 115 A C -0.497 176.884 177.584 -0.338 0.000 1.142 115 A CA -0.352 51.580 52.037 -0.175 0.000 0.812 115 A CB 0.290 19.131 19.000 -0.265 0.000 1.074 115 A HN 0.824 nan 8.150 nan 0.000 0.497 116 L N 3.570 124.615 121.223 -0.298 0.000 2.318 116 L HA 0.360 4.700 4.340 -0.001 0.000 0.277 116 L C -0.508 176.282 176.870 -0.133 0.000 1.008 116 L CA -0.001 54.691 54.840 -0.247 0.000 0.846 116 L CB 0.937 42.823 42.059 -0.289 0.000 1.220 116 L HN 0.685 nan 8.230 nan 0.000 0.423 117 L N 2.867 124.037 121.223 -0.087 0.000 3.209 117 L HA 0.311 4.651 4.340 -0.001 0.000 0.279 117 L C -0.679 176.235 176.870 0.074 0.000 1.301 117 L CA -0.253 54.589 54.840 0.003 0.000 1.004 117 L CB 0.071 42.127 42.059 -0.006 0.000 1.402 117 L HN 0.639 nan 8.230 nan 0.000 0.577 118 D N -2.892 117.555 120.400 0.078 0.000 2.583 118 D HA 0.370 5.009 4.640 -0.001 0.000 0.248 118 D C 0.919 177.262 176.300 0.072 0.000 1.209 118 D CA -0.525 53.540 54.000 0.108 0.000 0.848 118 D CB 1.293 42.181 40.800 0.147 0.000 1.431 118 D HN -0.096 nan 8.370 nan 0.000 0.436 119 G N -0.611 108.242 108.800 0.088 0.000 2.679 119 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.212 119 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.212 119 G C 1.060 175.971 174.900 0.018 0.000 1.137 119 G CA 0.402 45.536 45.100 0.057 0.000 0.787 119 G HN 0.448 nan 8.290 nan 0.000 0.534 120 K N 0.701 121.012 120.400 -0.150 0.000 2.168 120 K HA -0.009 4.311 4.320 -0.001 0.000 0.201 120 K C 2.769 179.313 176.600 -0.094 0.000 1.049 120 K CA 1.155 57.333 56.287 -0.181 0.000 0.974 120 K CB 0.049 32.275 32.500 -0.457 0.000 0.792 120 K HN 0.349 nan 8.250 nan 0.000 0.463 121 S N 0.021 115.667 115.700 -0.090 0.000 2.395 121 S HA -0.100 4.370 4.470 -0.001 0.000 0.225 121 S C 1.888 176.440 174.600 -0.081 0.000 1.027 121 S CA 0.286 58.448 58.200 -0.064 0.000 0.965 121 S CB -0.652 62.515 63.200 -0.056 0.000 0.812 121 S HN 0.358 nan 8.310 nan 0.000 0.482 122 F N 3.976 123.800 119.950 -0.211 0.000 2.120 122 F HA 0.029 4.555 4.527 -0.001 0.000 0.300 122 F C -1.181 174.311 175.800 -0.513 0.000 1.095 122 F CA 1.113 58.928 58.000 -0.307 0.000 1.249 122 F CB -1.038 37.818 39.000 -0.241 0.000 0.995 122 F HN 0.233 nan 8.300 nan 0.000 0.480 123 P HA -0.161 nan 4.420 nan 0.000 0.226 123 P C 1.930 178.953 177.300 -0.462 0.000 1.146 123 P CA 0.981 63.770 63.100 -0.518 0.000 0.773 123 P CB -0.159 31.539 31.700 -0.003 0.000 0.772 124 V N -0.417 119.308 119.914 -0.316 0.000 2.546 124 V HA -0.229 3.891 4.120 -0.001 0.000 0.254 124 V C 1.796 177.719 176.094 -0.285 0.000 1.076 124 V CA 1.682 63.846 62.300 -0.226 0.000 1.087 124 V CB -0.958 30.761 31.823 -0.173 0.000 0.674 124 V HN 0.072 nan 8.190 nan 0.000 0.470 125 L N -0.970 119.935 121.223 -0.529 0.000 2.465 125 L HA -0.027 4.313 4.340 -0.001 0.000 0.224 125 L C 1.919 178.690 176.870 -0.164 0.000 1.145 125 L CA 0.799 55.370 54.840 -0.448 0.000 0.834 125 L CB -0.418 41.197 42.059 -0.741 0.000 0.944 125 L HN 0.345 nan 8.230 nan 0.000 0.451 126 F N -1.564 118.360 119.950 -0.044 0.000 2.698 126 F HA 0.102 4.629 4.527 -0.001 0.000 0.295 126 F C 1.156 176.950 175.800 -0.010 0.000 1.124 126 F CA -0.691 57.305 58.000 -0.007 0.000 1.426 126 F CB -0.376 38.635 39.000 0.019 0.000 1.120 126 F HN -0.082 nan 8.300 nan 0.000 0.583 127 D N 1.421 121.896 120.400 0.125 0.000 2.374 127 D HA 0.081 4.721 4.640 -0.001 0.000 0.240 127 D C 1.508 177.832 176.300 0.040 0.000 1.229 127 D CA 0.135 54.180 54.000 0.074 0.000 0.895 127 D CB 1.233 42.055 40.800 0.037 0.000 1.046 127 D HN 0.117 nan 8.370 nan 0.000 0.498 128 V N 1.607 121.546 119.914 0.041 0.000 2.867 128 V HA -0.149 3.970 4.120 -0.001 0.000 0.260 128 V C 1.153 177.250 176.094 0.006 0.000 1.099 128 V CA 1.290 63.599 62.300 0.015 0.000 1.122 128 V CB -0.176 31.649 31.823 0.003 0.000 0.708 128 V HN 0.263 nan 8.190 nan 0.000 0.490 129 D N 0.788 121.195 120.400 0.011 0.000 2.224 129 D HA -0.047 4.592 4.640 -0.001 0.000 0.205 129 D C 2.123 178.423 176.300 0.000 0.000 0.965 129 D CA 1.412 55.415 54.000 0.005 0.000 0.852 129 D CB 0.050 40.855 40.800 0.009 0.000 0.947 129 D HN 0.585 nan 8.370 nan 0.000 0.494 130 K N -0.179 120.219 120.400 -0.002 0.000 2.287 130 K HA 0.112 4.432 4.320 -0.001 0.000 0.199 130 K C 0.542 177.133 176.600 -0.016 0.000 1.061 130 K CA 0.188 56.468 56.287 -0.011 0.000 0.976 130 K CB 1.391 33.880 32.500 -0.019 0.000 0.898 130 K HN 0.005 nan 8.250 nan 0.000 0.492 131 V N -0.246 119.659 119.914 -0.015 0.000 2.604 131 V HA 0.396 4.515 4.120 -0.001 0.000 0.305 131 V C -0.698 175.392 176.094 -0.006 0.000 1.043 131 V CA -1.102 61.189 62.300 -0.014 0.000 0.888 131 V CB 1.903 33.709 31.823 -0.028 0.000 0.995 131 V HN 0.081 nan 8.190 nan 0.000 0.429 132 E N 2.945 123.143 120.200 -0.003 0.000 2.331 132 E HA 0.352 4.702 4.350 -0.001 0.000 0.272 132 E C -0.494 176.110 176.600 0.007 0.000 1.036 132 E CA -0.653 55.745 56.400 -0.004 0.000 0.864 132 E CB 0.917 30.615 29.700 -0.003 0.000 1.035 132 E HN 0.665 nan 8.360 nan 0.000 0.408 133 K N 4.041 124.440 120.400 -0.001 0.000 3.237 133 K HA 0.173 4.493 4.320 -0.001 0.000 0.197 133 K C -0.802 175.810 176.600 0.020 0.000 1.133 133 K CA -0.229 56.070 56.287 0.020 0.000 0.944 133 K CB 0.586 33.094 32.500 0.014 0.000 0.952 133 K HN 0.328 nan 8.250 nan 0.000 0.515 134 K N 1.534 121.948 120.400 0.023 0.000 2.235 134 K HA 0.107 4.427 4.320 -0.001 0.000 0.266 134 K C -0.707 175.926 176.600 0.055 0.000 0.980 134 K CA -0.121 56.184 56.287 0.030 0.000 0.849 134 K CB 0.707 33.212 32.500 0.008 0.000 1.098 134 K HN 0.140 nan 8.250 nan 0.000 0.445 135 D N 2.852 123.319 120.400 0.112 0.000 2.837 135 D HA -0.162 4.478 4.640 -0.001 0.000 0.230 135 D C 0.086 176.460 176.300 0.123 0.000 1.152 135 D CA 1.275 55.358 54.000 0.138 0.000 0.736 135 D CB -0.882 39.919 40.800 0.002 0.000 1.084 135 D HN 0.484 nan 8.370 nan 0.000 0.429 136 L N -4.423 116.884 121.223 0.141 0.000 3.333 136 L HA 0.399 4.738 4.340 -0.001 0.000 0.299 136 L C 1.293 178.198 176.870 0.058 0.000 1.256 136 L CA -0.530 54.322 54.840 0.019 0.000 1.037 136 L CB -0.763 41.296 42.059 0.001 0.000 1.423 136 L HN -0.105 nan 8.230 nan 0.000 0.605 137 F N 2.398 122.312 119.950 -0.059 0.000 2.154 137 F HA -0.183 4.344 4.527 -0.001 0.000 0.301 137 F C 1.980 177.753 175.800 -0.045 0.000 1.087 137 F CA 2.296 60.210 58.000 -0.143 0.000 1.274 137 F CB -0.041 38.595 39.000 -0.607 0.000 1.009 137 F HN 0.382 nan 8.300 nan 0.000 0.485 138 T N -2.362 112.129 114.554 -0.105 0.000 3.134 138 T HA 0.605 4.955 4.350 -0.001 0.000 0.260 138 T C 0.927 175.402 174.700 -0.373 0.000 1.027 138 T CA 0.249 62.204 62.100 -0.241 0.000 0.913 138 T CB -0.145 68.554 68.868 -0.282 0.000 1.046 138 T HN 0.710 nan 8.240 nan 0.000 0.553 139 G N 2.164 110.593 108.800 -0.618 0.000 2.709 139 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.228 139 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.228 139 G C 0.782 175.220 174.900 -0.770 0.000 1.215 139 G CA 0.409 44.631 45.100 -1.464 0.000 1.003 139 G HN 0.933 nan 8.290 nan 0.000 0.584 140 T N -0.824 113.467 114.554 -0.439 0.000 3.144 140 T HA 0.518 4.868 4.350 -0.001 0.000 0.249 140 T C 0.457 175.164 174.700 0.011 0.000 1.089 140 T CA 1.492 63.501 62.100 -0.152 0.000 0.989 140 T CB -0.394 68.438 68.868 -0.061 0.000 0.992 140 T HN 1.709 nan 8.240 nan 0.000 0.540 141 Y N -0.871 119.344 120.300 -0.142 0.000 2.609 141 Y HA 0.770 5.320 4.550 -0.000 0.000 0.342 141 Y C -1.025 174.846 175.900 -0.047 0.000 1.058 141 Y CA -2.158 55.895 58.100 -0.079 0.000 1.055 141 Y CB 1.766 40.188 38.460 -0.064 0.000 1.292 141 Y HN 0.008 nan 8.280 nan 0.000 0.476 142 M N 3.984 123.438 119.600 -0.242 0.000 2.326 142 M HA 0.561 5.041 4.480 -0.001 0.000 0.306 142 M C -2.907 173.304 176.300 -0.148 0.000 1.054 142 M CA -1.999 53.096 55.300 -0.341 0.000 0.922 142 M CB 2.093 34.522 32.600 -0.285 0.000 1.632 142 M HN 0.595 nan 8.290 nan 0.000 0.436 143 P HA 0.055 nan 4.420 nan 0.000 0.269 143 P C -0.874 176.411 177.300 -0.026 0.000 1.215 143 P CA -0.112 63.035 63.100 0.078 0.000 0.780 143 P CB 0.635 32.421 31.700 0.143 0.000 0.898 144 S N 0.691 116.423 115.700 0.054 0.000 2.552 144 S HA 0.002 4.471 4.470 -0.001 0.000 0.289 144 S C 1.535 176.112 174.600 -0.038 0.000 1.304 144 S CA 0.378 58.583 58.200 0.008 0.000 1.063 144 S CB -0.305 62.928 63.200 0.056 0.000 0.848 144 S HN 0.634 nan 8.310 nan 0.000 0.499 145 T N 1.856 116.353 114.554 -0.094 0.000 3.025 145 T HA -0.053 4.297 4.350 -0.001 0.000 0.270 145 T C 1.168 175.812 174.700 -0.094 0.000 1.126 145 T CA 1.213 63.246 62.100 -0.113 0.000 1.105 145 T CB -0.387 68.394 68.868 -0.146 0.000 0.884 145 T HN 0.675 nan 8.240 nan 0.000 0.522 146 E N 1.109 121.271 120.200 -0.063 0.000 2.265 146 E HA 0.086 4.435 4.350 -0.001 0.000 0.196 146 E C 1.772 178.330 176.600 -0.071 0.000 0.996 146 E CA 0.488 56.849 56.400 -0.065 0.000 0.832 146 E CB -0.573 29.113 29.700 -0.022 0.000 0.756 146 E HN 0.567 nan 8.360 nan 0.000 0.491 147 L N -0.138 121.092 121.223 0.011 0.000 2.478 147 L HA 0.008 4.347 4.340 -0.001 0.000 0.223 147 L C 0.895 177.774 176.870 0.016 0.000 1.140 147 L CA 1.226 56.132 54.840 0.110 0.000 0.842 147 L CB -0.063 42.164 42.059 0.281 0.000 0.953 147 L HN 0.128 nan 8.230 nan 0.000 0.452 148 T N -4.456 110.058 114.554 -0.067 0.000 3.633 148 T HA 0.411 4.761 4.350 -0.001 0.000 0.278 148 T C 0.953 175.500 174.700 -0.255 0.000 0.991 148 T CA 0.058 62.159 62.100 0.002 0.000 1.036 148 T CB 0.671 69.668 68.868 0.215 0.000 1.148 148 T HN 0.248 nan 8.240 nan 0.000 0.501 149 G N 0.566 109.104 108.800 -0.438 0.000 2.168 149 G HA2 0.082 4.042 3.960 -0.001 0.000 0.257 149 G HA3 0.082 4.042 3.960 -0.001 0.000 0.257 149 G C 1.204 175.901 174.900 -0.339 0.000 0.997 149 G CA 0.524 45.294 45.100 -0.550 0.000 0.708 149 G HN 2.019 nan 8.290 nan 0.000 0.520 150 G N -2.605 106.027 108.800 -0.281 0.000 2.176 150 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.253 150 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.253 150 G C 0.265 174.914 174.900 -0.418 0.000 0.979 150 G CA 0.757 45.659 45.100 -0.329 0.000 0.641 150 G HN 1.273 nan 8.290 nan 0.000 0.530 151 Y N 0.534 120.724 120.300 -0.184 0.000 2.334 151 Y HA 0.624 5.173 4.550 -0.001 0.000 0.328 151 Y C 1.282 177.103 175.900 -0.131 0.000 1.130 151 Y CA -0.840 57.185 58.100 -0.125 0.000 1.163 151 Y CB 0.893 39.299 38.460 -0.091 0.000 1.207 151 Y HN 0.043 nan 8.280 nan 0.000 0.471 152 R N 3.440 123.962 120.500 0.037 0.000 2.291 152 R HA 0.219 4.559 4.340 -0.001 0.000 0.333 152 R C -0.560 175.757 176.300 0.028 0.000 1.082 152 R CA -0.312 55.770 56.100 -0.029 0.000 0.948 152 R CB 0.004 30.276 30.300 -0.045 0.000 1.009 152 R HN 0.458 nan 8.270 nan 0.000 0.460 153 I N 3.395 123.958 120.570 -0.012 0.000 2.882 153 I HA -0.134 4.035 4.170 -0.001 0.000 0.286 153 I C 1.910 177.915 176.117 -0.187 0.000 1.139 153 I CA -0.052 61.161 61.300 -0.145 0.000 1.379 153 I CB 0.325 38.052 38.000 -0.456 0.000 1.410 153 I HN 0.570 nan 8.210 nan 0.000 0.594 154 L N 4.046 125.127 121.223 -0.235 0.000 2.051 154 L HA -0.252 4.087 4.340 -0.001 0.000 0.214 154 L C 2.373 179.077 176.870 -0.276 0.000 1.076 154 L CA 2.009 56.727 54.840 -0.204 0.000 0.758 154 L CB -0.695 41.234 42.059 -0.217 0.000 0.890 154 L HN 0.706 nan 8.230 nan 0.000 0.433 155 S N -1.544 113.801 115.700 -0.592 0.000 2.419 155 S HA -0.185 4.285 4.470 -0.001 0.000 0.235 155 S C 1.510 175.665 174.600 -0.742 0.000 1.019 155 S CA 1.498 59.163 58.200 -0.891 0.000 0.982 155 S CB -0.498 61.562 63.200 -1.899 0.000 0.789 155 S HN 0.638 nan 8.310 nan 0.000 0.490 156 Y N 0.213 120.304 120.300 -0.349 0.000 2.482 156 Y HA 0.321 4.870 4.550 -0.001 0.000 0.270 156 Y C 0.127 175.971 175.900 -0.093 0.000 1.152 156 Y CA -0.438 57.559 58.100 -0.171 0.000 1.292 156 Y CB 0.058 38.405 38.460 -0.188 0.000 1.070 156 Y HN 0.091 nan 8.280 nan 0.000 0.528 157 L N 1.028 122.272 121.223 0.036 0.000 2.305 157 L HA 0.159 4.498 4.340 -0.001 0.000 0.281 157 L C -0.033 176.823 176.870 -0.024 0.000 1.085 157 L CA -0.659 54.208 54.840 0.045 0.000 0.813 157 L CB 0.349 42.464 42.059 0.093 0.000 1.157 157 L HN 0.038 nan 8.230 nan 0.000 0.436 158 D N 4.492 124.856 120.400 -0.059 0.000 2.372 158 D HA 0.135 4.775 4.640 -0.001 0.000 0.243 158 D C -1.599 174.520 176.300 -0.301 0.000 1.121 158 D CA -1.006 52.906 54.000 -0.146 0.000 0.898 158 D CB 1.296 42.049 40.800 -0.077 0.000 1.202 158 D HN 0.336 nan 8.370 nan 0.000 0.428 159 P HA -0.156 nan 4.420 nan 0.000 0.221 159 P C 0.998 178.209 177.300 -0.149 0.000 1.145 159 P CA 1.078 63.851 63.100 -0.545 0.000 0.795 159 P CB 0.014 31.506 31.700 -0.347 0.000 0.775 160 S N -1.361 114.279 115.700 -0.100 0.000 2.469 160 S HA -0.119 4.350 4.470 -0.001 0.000 0.238 160 S C 0.729 175.324 174.600 -0.008 0.000 0.998 160 S CA 0.550 58.729 58.200 -0.035 0.000 0.957 160 S CB -0.955 62.227 63.200 -0.030 0.000 0.764 160 S HN 0.248 nan 8.310 nan 0.000 0.514 161 E N 2.582 122.779 120.200 -0.005 0.000 2.223 161 E HA 0.179 4.529 4.350 -0.001 0.000 0.282 161 E C -1.870 174.765 176.600 0.058 0.000 1.046 161 E CA -2.213 54.203 56.400 0.026 0.000 0.857 161 E CB 0.776 30.494 29.700 0.029 0.000 1.055 161 E HN 0.185 nan 8.360 nan 0.000 0.409 162 P HA -0.237 nan 4.420 nan 0.000 0.217 162 P C 1.020 178.343 177.300 0.038 0.000 1.151 162 P CA 1.230 64.353 63.100 0.038 0.000 0.849 162 P CB 0.250 31.963 31.700 0.023 0.000 0.787 163 K N -1.461 118.961 120.400 0.036 0.000 2.280 163 K HA -0.178 4.142 4.320 -0.001 0.000 0.202 163 K C 2.041 178.645 176.600 0.006 0.000 1.047 163 K CA 1.125 57.421 56.287 0.014 0.000 0.942 163 K CB -0.939 31.572 32.500 0.018 0.000 0.739 163 K HN 0.365 nan 8.250 nan 0.000 0.457 164 H N 1.301 120.346 119.070 -0.043 0.000 2.321 164 H HA -0.104 4.451 4.556 -0.001 0.000 0.300 164 H C 2.128 177.412 175.328 -0.073 0.000 1.087 164 H CA 2.268 58.279 56.048 -0.062 0.000 1.319 164 H CB 0.140 29.875 29.762 -0.044 0.000 1.379 164 H HN 0.328 nan 8.280 nan 0.000 0.501 165 E N 0.346 120.533 120.200 -0.021 0.000 2.051 165 E HA -0.199 4.151 4.350 -0.001 0.000 0.192 165 E C 2.064 178.593 176.600 -0.119 0.000 0.991 165 E CA 1.279 57.642 56.400 -0.061 0.000 0.799 165 E CB 0.044 29.767 29.700 0.038 0.000 0.748 165 E HN 0.494 nan 8.360 nan 0.000 0.449 166 K N 0.141 120.490 120.400 -0.085 0.000 2.032 166 K HA -0.153 4.167 4.320 -0.001 0.000 0.209 166 K C 2.322 178.837 176.600 -0.141 0.000 1.048 166 K CA 1.471 57.704 56.287 -0.089 0.000 0.927 166 K CB -0.179 32.284 32.500 -0.062 0.000 0.712 166 K HN 0.223 nan 8.250 nan 0.000 0.441 167 L N 0.806 121.923 121.223 -0.175 0.000 2.109 167 L HA -0.128 4.211 4.340 -0.001 0.000 0.207 167 L C 2.567 179.258 176.870 -0.298 0.000 1.086 167 L CA 1.060 55.779 54.840 -0.202 0.000 0.760 167 L CB -0.239 41.711 42.059 -0.182 0.000 0.910 167 L HN 0.139 nan 8.230 nan 0.000 0.437 168 K N 0.026 120.162 120.400 -0.439 0.000 2.103 168 K HA -0.132 4.188 4.320 -0.001 0.000 0.204 168 K C 1.963 178.114 176.600 -0.750 0.000 1.052 168 K CA 0.913 56.796 56.287 -0.674 0.000 0.945 168 K CB 0.107 32.113 32.500 -0.823 0.000 0.722 168 K HN 0.214 nan 8.250 nan 0.000 0.443 169 N N 1.237 119.709 118.700 -0.381 0.000 2.104 169 N HA -0.195 4.545 4.740 -0.001 0.000 0.190 169 N C 1.718 177.208 175.510 -0.034 0.000 1.024 169 N CA 0.943 53.933 53.050 -0.099 0.000 0.853 169 N CB -0.263 38.225 38.487 0.001 0.000 1.008 169 N HN 0.147 nan 8.380 nan 0.000 0.424 170 L N 1.224 122.388 121.223 -0.099 0.000 2.012 170 L HA -0.081 4.258 4.340 -0.001 0.000 0.210 170 L C 2.071 178.940 176.870 -0.001 0.000 1.073 170 L CA 1.366 56.184 54.840 -0.038 0.000 0.748 170 L CB -0.550 41.458 42.059 -0.084 0.000 0.891 170 L HN 0.127 nan 8.230 nan 0.000 0.431 171 L N -1.885 119.257 121.223 -0.136 0.000 2.056 171 L HA -0.199 4.140 4.340 -0.001 0.000 0.207 171 L C 2.497 179.348 176.870 -0.031 0.000 1.078 171 L CA 0.927 55.674 54.840 -0.154 0.000 0.749 171 L CB -0.712 41.204 42.059 -0.238 0.000 0.901 171 L HN 0.201 nan 8.230 nan 0.000 0.433 172 F N -0.218 119.718 119.950 -0.023 0.000 2.120 172 F HA -0.287 4.240 4.527 -0.001 0.000 0.300 172 F C 2.439 178.249 175.800 0.015 0.000 1.095 172 F CA 1.165 59.163 58.000 -0.002 0.000 1.249 172 F CB -1.239 37.774 39.000 0.022 0.000 0.995 172 F HN 0.000 nan 8.300 nan 0.000 0.480 173 F N 0.288 120.305 119.950 0.111 0.000 2.134 173 F HA -0.173 4.353 4.527 -0.001 0.000 0.299 173 F C 2.288 178.071 175.800 -0.027 0.000 1.097 173 F CA 1.066 59.087 58.000 0.035 0.000 1.264 173 F CB -0.625 38.380 39.000 0.009 0.000 1.001 173 F HN -0.050 nan 8.300 nan 0.000 0.479 174 L N 0.602 121.813 121.223 -0.020 0.000 2.013 174 L HA -0.228 4.112 4.340 -0.001 0.000 0.212 174 L C 2.089 178.745 176.870 -0.357 0.000 1.073 174 L CA 1.966 56.661 54.840 -0.242 0.000 0.753 174 L CB -1.035 40.836 42.059 -0.314 0.000 0.890 174 L HN 0.275 nan 8.230 nan 0.000 0.432 175 L N -0.508 120.560 121.223 -0.259 0.000 2.017 175 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 175 L C 2.706 179.537 176.870 -0.064 0.000 1.073 175 L CA 1.821 56.573 54.840 -0.146 0.000 0.745 175 L CB -0.738 41.313 42.059 -0.013 0.000 0.894 175 L HN 0.341 nan 8.230 nan 0.000 0.432 176 K N -0.001 120.335 120.400 -0.106 0.000 2.057 176 K HA -0.149 4.171 4.320 -0.001 0.000 0.207 176 K C 2.163 178.642 176.600 -0.202 0.000 1.049 176 K CA 1.675 57.891 56.287 -0.118 0.000 0.931 176 K CB 0.028 32.458 32.500 -0.116 0.000 0.714 176 K HN 0.162 nan 8.250 nan 0.000 0.440 177 S N 0.515 115.976 115.700 -0.399 0.000 2.419 177 S HA -0.103 4.367 4.470 -0.001 0.000 0.233 177 S C 1.778 176.277 174.600 -0.169 0.000 1.016 177 S CA 1.442 59.406 58.200 -0.393 0.000 0.974 177 S CB -0.108 62.714 63.200 -0.630 0.000 0.786 177 S HN 0.558 nan 8.310 nan 0.000 0.492 178 S N 2.095 117.737 115.700 -0.097 0.000 2.593 178 S HA 0.003 4.473 4.470 -0.001 0.000 0.217 178 S C 1.690 176.354 174.600 0.108 0.000 0.966 178 S CA 0.029 58.251 58.200 0.035 0.000 0.914 178 S CB -0.244 63.041 63.200 0.141 0.000 0.776 178 S HN 0.633 nan 8.310 nan 0.000 0.523 179 R N 2.072 122.613 120.500 0.068 0.000 2.119 179 R HA -0.118 4.222 4.340 -0.001 0.000 0.246 179 R C 1.419 177.770 176.300 0.084 0.000 1.146 179 R CA 2.288 58.445 56.100 0.096 0.000 0.962 179 R CB -1.111 29.210 30.300 0.035 0.000 0.863 179 R HN 0.523 nan 8.270 nan 0.000 0.442 180 N N -0.474 118.253 118.700 0.046 0.000 2.412 180 N HA 0.067 4.807 4.740 -0.001 0.000 0.184 180 N C 1.219 176.781 175.510 0.088 0.000 1.101 180 N CA 0.183 53.252 53.050 0.030 0.000 0.881 180 N CB 0.258 38.747 38.487 0.003 0.000 0.969 180 N HN 0.282 nan 8.380 nan 0.000 0.459 181 R N -0.030 120.550 120.500 0.132 0.000 2.237 181 R HA 0.238 4.578 4.340 -0.001 0.000 0.195 181 R C 1.567 178.040 176.300 0.288 0.000 0.956 181 R CA 0.128 56.329 56.100 0.169 0.000 1.029 181 R CB 0.129 30.501 30.300 0.120 0.000 0.972 181 R HN 0.209 nan 8.270 nan 0.000 0.493 182 I N 0.466 121.253 120.570 0.363 0.000 2.099 182 I HA -0.324 3.846 4.170 -0.001 0.000 0.239 182 I C 1.711 178.179 176.117 0.585 0.000 1.066 182 I CA 1.631 63.257 61.300 0.543 0.000 1.324 182 I CB -0.271 38.053 38.000 0.540 0.000 1.037 182 I HN 0.013 nan 8.210 nan 0.000 0.401 183 F N 1.058 121.127 119.950 0.198 0.000 2.046 183 F HA -0.134 4.393 4.527 -0.001 0.000 0.297 183 F C -0.104 175.816 175.800 0.199 0.000 1.123 183 F CA 1.309 59.397 58.000 0.147 0.000 1.199 183 F CB -2.561 36.485 39.000 0.076 0.000 0.972 183 F HN 0.117 nan 8.300 nan 0.000 0.474 184 P HA -0.129 nan 4.420 nan 0.000 0.217 184 P C 1.243 178.706 177.300 0.272 0.000 1.151 184 P CA 1.512 64.770 63.100 0.264 0.000 0.828 184 P CB -0.018 31.800 31.700 0.197 0.000 0.788 185 E N -0.806 119.599 120.200 0.341 0.000 2.107 185 E HA -0.106 4.244 4.350 -0.001 0.000 0.191 185 E C 1.985 178.871 176.600 0.477 0.000 0.982 185 E CA 0.613 57.239 56.400 0.376 0.000 0.809 185 E CB -1.053 28.866 29.700 0.365 0.000 0.756 185 E HN 0.280 nan 8.360 nan 0.000 0.459 186 F N 2.159 122.308 119.950 0.332 0.000 2.102 186 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 186 F C 2.738 178.601 175.800 0.105 0.000 1.105 186 F CA 2.038 60.011 58.000 -0.044 0.000 1.239 186 F CB -0.019 38.741 39.000 -0.399 0.000 0.991 186 F HN 0.012 nan 8.300 nan 0.000 0.474 187 Q N 0.181 120.176 119.800 0.324 0.000 2.096 187 Q HA -0.215 4.124 4.340 -0.001 0.000 0.204 187 Q C 2.235 178.323 176.000 0.148 0.000 0.982 187 Q CA 1.746 57.685 55.803 0.226 0.000 0.850 187 Q CB -0.375 28.470 28.738 0.179 0.000 0.901 187 Q HN 0.483 nan 8.270 nan 0.000 0.422 188 A N 0.439 123.341 122.820 0.137 0.000 1.855 188 A HA -0.199 4.121 4.320 -0.001 0.000 0.215 188 A C 2.343 179.947 177.584 0.034 0.000 1.191 188 A CA 2.241 54.330 52.037 0.087 0.000 0.613 188 A CB -1.331 17.726 19.000 0.095 0.000 0.829 188 A HN 0.696 nan 8.150 nan 0.000 0.442 189 T N -3.364 111.196 114.554 0.011 0.000 2.737 189 T HA -0.169 4.180 4.350 -0.001 0.000 0.265 189 T C 1.812 176.327 174.700 -0.308 0.000 1.038 189 T CA 1.614 63.634 62.100 -0.134 0.000 1.144 189 T CB -0.631 68.159 68.868 -0.130 0.000 0.866 189 T HN 0.407 nan 8.240 nan 0.000 0.434 190 Y N 2.503 122.634 120.300 -0.283 0.000 2.314 190 Y HA -0.002 4.547 4.550 -0.000 0.000 0.293 190 Y C 3.240 179.133 175.900 -0.012 0.000 1.129 190 Y CA 1.072 59.013 58.100 -0.266 0.000 1.201 190 Y CB -0.392 37.800 38.460 -0.448 0.000 0.999 190 Y HN 0.448 nan 8.280 nan 0.000 0.541 191 S N -0.122 115.669 115.700 0.152 0.000 2.368 191 S HA -0.226 4.244 4.470 -0.001 0.000 0.225 191 S C 1.716 176.364 174.600 0.080 0.000 1.030 191 S CA 1.482 59.776 58.200 0.157 0.000 0.999 191 S CB -0.487 62.770 63.200 0.094 0.000 0.844 191 S HN 0.543 nan 8.310 nan 0.000 0.459 192 E N 0.953 121.150 120.200 -0.004 0.000 2.077 192 E HA -0.099 4.250 4.350 -0.001 0.000 0.193 192 E C 2.051 178.602 176.600 -0.082 0.000 0.989 192 E CA 1.194 57.570 56.400 -0.041 0.000 0.800 192 E CB -0.371 29.291 29.700 -0.064 0.000 0.746 192 E HN 0.453 nan 8.360 nan 0.000 0.452 193 L N 0.393 121.499 121.223 -0.195 0.000 1.989 193 L HA -0.193 4.147 4.340 -0.001 0.000 0.211 193 L C 1.978 178.730 176.870 -0.196 0.000 1.071 193 L CA 1.784 56.449 54.840 -0.292 0.000 0.749 193 L CB -0.596 41.136 42.059 -0.544 0.000 0.890 193 L HN 0.066 nan 8.230 nan 0.000 0.431 194 F N -0.130 119.854 119.950 0.057 0.000 2.134 194 F HA -0.216 4.311 4.527 -0.000 0.000 0.299 194 F C 2.384 178.211 175.800 0.045 0.000 1.097 194 F CA 1.437 59.482 58.000 0.074 0.000 1.264 194 F CB -0.571 38.474 39.000 0.074 0.000 1.001 194 F HN 0.254 nan 8.300 nan 0.000 0.479 195 D N -0.311 120.192 120.400 0.172 0.000 2.116 195 D HA -0.224 4.416 4.640 -0.001 0.000 0.193 195 D C 2.323 178.662 176.300 0.064 0.000 0.998 195 D CA 1.710 55.765 54.000 0.093 0.000 0.836 195 D CB -0.266 40.564 40.800 0.050 0.000 0.951 195 D HN 0.095 nan 8.370 nan 0.000 0.449 196 S N -1.180 114.540 115.700 0.034 0.000 2.368 196 S HA -0.078 4.392 4.470 -0.001 0.000 0.225 196 S C 2.120 176.743 174.600 0.038 0.000 1.030 196 S CA 0.855 59.065 58.200 0.015 0.000 0.999 196 S CB -0.396 62.791 63.200 -0.023 0.000 0.844 196 S HN 0.349 nan 8.310 nan 0.000 0.459 197 L N 0.844 122.105 121.223 0.064 0.000 2.093 197 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 197 L C 2.662 179.581 176.870 0.081 0.000 1.085 197 L CA 1.410 56.312 54.840 0.103 0.000 0.755 197 L CB -0.586 41.578 42.059 0.175 0.000 0.904 197 L HN 0.400 nan 8.230 nan 0.000 0.435 198 E N 0.241 120.488 120.200 0.079 0.000 2.077 198 E HA -0.272 4.077 4.350 -0.001 0.000 0.193 198 E C 2.142 178.768 176.600 0.045 0.000 0.989 198 E CA 1.241 57.675 56.400 0.055 0.000 0.800 198 E CB -0.016 29.735 29.700 0.086 0.000 0.746 198 E HN 0.332 nan 8.360 nan 0.000 0.452 199 K N 1.268 121.695 120.400 0.044 0.000 2.002 199 K HA -0.239 4.081 4.320 -0.001 0.000 0.209 199 K C 2.167 178.788 176.600 0.034 0.000 1.048 199 K CA 1.606 57.913 56.287 0.033 0.000 0.930 199 K CB -0.009 32.507 32.500 0.027 0.000 0.714 199 K HN 0.014 nan 8.250 nan 0.000 0.438 200 E N 0.661 120.886 120.200 0.041 0.000 2.118 200 E HA -0.210 4.139 4.350 -0.001 0.000 0.195 200 E C 2.096 178.728 176.600 0.053 0.000 0.992 200 E CA 0.878 57.305 56.400 0.046 0.000 0.804 200 E CB -0.024 29.709 29.700 0.055 0.000 0.741 200 E HN 0.366 nan 8.360 nan 0.000 0.458 201 L N 0.744 122.002 121.223 0.058 0.000 2.027 201 L HA -0.173 4.167 4.340 -0.001 0.000 0.206 201 L C 2.645 179.540 176.870 0.041 0.000 1.074 201 L CA 1.964 56.837 54.840 0.056 0.000 0.745 201 L CB -0.552 41.532 42.059 0.043 0.000 0.898 201 L HN 0.279 nan 8.230 nan 0.000 0.433 202 S N -0.600 115.120 115.700 0.032 0.000 2.402 202 S HA -0.169 4.300 4.470 -0.001 0.000 0.229 202 S C 1.941 176.556 174.600 0.025 0.000 1.021 202 S CA 0.827 59.043 58.200 0.026 0.000 0.974 202 S CB -0.504 62.710 63.200 0.023 0.000 0.800 202 S HN 0.443 nan 8.310 nan 0.000 0.484 203 L N 0.296 121.536 121.223 0.027 0.000 2.068 203 L HA 0.129 4.468 4.340 -0.001 0.000 0.204 203 L C 2.457 179.343 176.870 0.026 0.000 1.076 203 L CA 1.315 56.170 54.840 0.024 0.000 0.753 203 L CB -0.191 41.882 42.059 0.023 0.000 0.910 203 L HN 0.297 nan 8.230 nan 0.000 0.439 204 K N -1.263 119.156 120.400 0.033 0.000 2.355 204 K HA 0.210 4.530 4.320 -0.001 0.000 0.198 204 K C 1.134 177.757 176.600 0.038 0.000 1.039 204 K CA 0.569 56.876 56.287 0.034 0.000 1.075 204 K CB 1.053 33.575 32.500 0.037 0.000 0.870 204 K HN 0.328 nan 8.250 nan 0.000 0.540 205 G N 2.705 111.530 108.800 0.042 0.000 2.234 205 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.260 205 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.260 205 G C -0.039 174.897 174.900 0.061 0.000 0.987 205 G CA 1.222 46.349 45.100 0.046 0.000 0.625 205 G HN 0.413 nan 8.290 nan 0.000 0.532 206 K N -1.456 118.986 120.400 0.069 0.000 2.533 206 K HA 0.858 5.178 4.320 -0.001 0.000 0.272 206 K C -0.841 175.824 176.600 0.109 0.000 0.985 206 K CA -0.519 55.824 56.287 0.094 0.000 0.876 206 K CB 1.909 34.458 32.500 0.080 0.000 1.452 206 K HN 1.272 nan 8.250 nan 0.000 0.439 207 A N 1.451 124.368 122.820 0.162 0.000 2.357 207 A HA 0.324 4.644 4.320 -0.001 0.000 0.295 207 A C -1.485 176.214 177.584 0.192 0.000 1.121 207 A CA -0.657 51.491 52.037 0.185 0.000 0.742 207 A CB 1.185 20.335 19.000 0.250 0.000 1.181 207 A HN 0.749 nan 8.150 nan 0.000 0.454 208 D N 2.669 123.143 120.400 0.123 0.000 2.359 208 D HA 0.109 4.749 4.640 -0.001 0.000 0.250 208 D C 0.724 177.091 176.300 0.112 0.000 1.264 208 D CA -0.220 53.834 54.000 0.091 0.000 0.911 208 D CB -0.113 40.715 40.800 0.047 0.000 1.056 208 D HN 0.413 nan 8.370 nan 0.000 0.499 209 F N 3.702 123.638 119.950 -0.022 0.000 2.075 209 F HA -0.026 4.501 4.527 -0.001 0.000 0.297 209 F C 2.133 177.926 175.800 -0.012 0.000 1.113 209 F CA 2.130 60.123 58.000 -0.011 0.000 1.218 209 F CB -0.426 38.483 39.000 -0.151 0.000 0.984 209 F HN 0.426 nan 8.300 nan 0.000 0.472 210 G N -0.332 108.462 108.800 -0.010 0.000 2.476 210 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.218 210 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.218 210 G C 1.927 176.737 174.900 -0.149 0.000 1.164 210 G CA 0.819 45.857 45.100 -0.104 0.000 0.768 210 G HN 0.663 nan 8.290 nan 0.000 0.560 211 G N -0.228 108.522 108.800 -0.083 0.000 2.462 211 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.220 211 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.220 211 G C 1.928 176.772 174.900 -0.093 0.000 1.121 211 G CA 1.547 46.610 45.100 -0.061 0.000 0.758 211 G HN 0.478 nan 8.290 nan 0.000 0.559 212 S N -0.348 115.253 115.700 -0.165 0.000 2.564 212 S HA 0.028 4.497 4.470 -0.001 0.000 0.231 212 S C 2.517 176.948 174.600 -0.281 0.000 1.067 212 S CA 0.652 58.742 58.200 -0.182 0.000 0.908 212 S CB 0.272 63.376 63.200 -0.160 0.000 0.809 212 S HN 0.550 nan 8.310 nan 0.000 0.491 213 S N 1.979 117.388 115.700 -0.485 0.000 2.453 213 S HA -0.083 4.386 4.470 -0.001 0.000 0.231 213 S C 1.141 175.560 174.600 -0.302 0.000 1.005 213 S CA 0.903 58.750 58.200 -0.588 0.000 0.949 213 S CB -0.370 62.066 63.200 -1.273 0.000 0.774 213 S HN 0.248 nan 8.310 nan 0.000 0.510 214 D N 2.310 122.602 120.400 -0.180 0.000 2.117 214 D HA 0.011 4.650 4.640 -0.001 0.000 0.197 214 D C 2.147 178.640 176.300 0.322 0.000 0.987 214 D CA 1.472 55.515 54.000 0.073 0.000 0.829 214 D CB -0.958 39.943 40.800 0.169 0.000 0.961 214 D HN 0.558 nan 8.370 nan 0.000 0.460 215 G N -0.062 108.805 108.800 0.112 0.000 2.402 215 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.216 215 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.216 215 G C 1.697 176.630 174.900 0.055 0.000 1.162 215 G CA 1.360 46.513 45.100 0.087 0.000 0.777 215 G HN 0.215 nan 8.290 nan 0.000 0.539 216 T N 1.933 116.421 114.554 -0.108 0.000 2.665 216 T HA -0.106 4.244 4.350 -0.001 0.000 0.268 216 T C 2.810 177.422 174.700 -0.147 0.000 1.035 216 T CA 1.780 63.709 62.100 -0.286 0.000 1.151 216 T CB -0.486 67.983 68.868 -0.665 0.000 0.862 216 T HN 0.377 nan 8.240 nan 0.000 0.438 217 A N 0.963 123.797 122.820 0.023 0.000 1.883 217 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 217 A C 2.056 179.884 177.584 0.406 0.000 1.186 217 A CA 1.629 53.830 52.037 0.274 0.000 0.624 217 A CB -1.068 18.017 19.000 0.142 0.000 0.822 217 A HN 0.478 nan 8.150 nan 0.000 0.444 218 F N 1.359 121.514 119.950 0.342 0.000 2.134 218 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 218 F C 2.067 177.874 175.800 0.011 0.000 1.097 218 F CA 1.969 60.043 58.000 0.124 0.000 1.264 218 F CB -0.195 38.698 39.000 -0.177 0.000 1.001 218 F HN 0.216 nan 8.300 nan 0.000 0.479 219 N N 0.125 118.859 118.700 0.058 0.000 2.120 219 N HA -0.224 4.516 4.740 -0.001 0.000 0.188 219 N C 1.844 177.326 175.510 -0.046 0.000 1.024 219 N CA 1.541 54.575 53.050 -0.027 0.000 0.852 219 N CB -1.037 37.455 38.487 0.008 0.000 1.003 219 N HN 0.420 nan 8.380 nan 0.000 0.424 220 F N 1.808 121.694 119.950 -0.106 0.000 2.102 220 F HA -0.054 4.473 4.527 -0.001 0.000 0.298 220 F C 1.958 177.682 175.800 -0.125 0.000 1.105 220 F CA 1.117 59.089 58.000 -0.047 0.000 1.239 220 F CB -0.504 38.548 39.000 0.086 0.000 0.991 220 F HN -0.070 nan 8.300 nan 0.000 0.474 221 L N 0.104 120.944 121.223 -0.637 0.000 2.056 221 L HA -0.127 4.212 4.340 -0.001 0.000 0.207 221 L C 2.863 179.298 176.870 -0.726 0.000 1.078 221 L CA 1.106 55.344 54.840 -1.004 0.000 0.749 221 L CB -1.302 40.359 42.059 -0.662 0.000 0.901 221 L HN 0.267 nan 8.230 nan 0.000 0.433 222 A N 0.270 122.784 122.820 -0.511 0.000 1.933 222 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 222 A C 2.396 179.942 177.584 -0.065 0.000 1.175 222 A CA 1.586 53.531 52.037 -0.154 0.000 0.628 222 A CB -0.414 18.476 19.000 -0.183 0.000 0.814 222 A HN 0.328 nan 8.150 nan 0.000 0.444 223 R N -0.792 119.622 120.500 -0.143 0.000 2.075 223 R HA 0.086 4.426 4.340 -0.001 0.000 0.226 223 R C 2.502 178.748 176.300 -0.090 0.000 1.114 223 R CA 1.061 57.127 56.100 -0.056 0.000 0.972 223 R CB -0.364 29.940 30.300 0.006 0.000 0.869 223 R HN 0.489 nan 8.270 nan 0.000 0.437 224 A N 0.652 123.315 122.820 -0.262 0.000 1.872 224 A HA -0.100 4.220 4.320 -0.001 0.000 0.214 224 A C 1.742 179.263 177.584 -0.106 0.000 1.187 224 A CA 1.080 52.993 52.037 -0.207 0.000 0.614 224 A CB -0.390 18.326 19.000 -0.473 0.000 0.826 224 A HN 0.141 nan 8.150 nan 0.000 0.442 225 F N -1.870 117.804 119.950 -0.460 0.000 2.187 225 F HA 0.048 4.574 4.527 -0.001 0.000 0.295 225 F C 1.531 176.893 175.800 -0.731 0.000 1.091 225 F CA 0.580 58.131 58.000 -0.748 0.000 1.308 225 F CB -0.801 37.420 39.000 -1.299 0.000 1.030 225 F HN 0.337 nan 8.300 nan 0.000 0.487 226 Y N -1.337 119.026 120.300 0.105 0.000 2.527 226 Y HA 0.443 4.993 4.550 -0.001 0.000 0.247 226 Y C 1.723 177.606 175.900 -0.029 0.000 1.138 226 Y CA -0.389 57.717 58.100 0.010 0.000 1.228 226 Y CB -0.177 38.247 38.460 -0.060 0.000 1.252 226 Y HN 0.082 nan 8.280 nan 0.000 0.531 227 G N 1.317 110.161 108.800 0.072 0.000 2.249 227 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.273 227 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.273 227 G C -0.047 174.880 174.900 0.044 0.000 1.036 227 G CA 0.851 45.980 45.100 0.048 0.000 0.824 227 G HN 0.271 nan 8.290 nan 0.000 0.504 228 T N 0.135 114.726 114.554 0.061 0.000 2.841 228 T HA 0.445 4.794 4.350 -0.001 0.000 0.285 228 T C -0.325 174.435 174.700 0.100 0.000 0.991 228 T CA -0.679 61.454 62.100 0.055 0.000 0.966 228 T CB 1.482 70.340 68.868 -0.017 0.000 0.962 228 T HN 0.250 nan 8.240 nan 0.000 0.438 229 N N 3.752 122.503 118.700 0.084 0.000 2.420 229 N HA 0.274 5.014 4.740 -0.001 0.000 0.249 229 N C -1.859 173.726 175.510 0.124 0.000 1.033 229 N CA -2.214 50.885 53.050 0.081 0.000 0.944 229 N CB 1.601 40.117 38.487 0.048 0.000 1.113 229 N HN 0.159 nan 8.380 nan 0.000 0.502 230 P HA -0.128 nan 4.420 nan 0.000 0.217 230 P C 0.752 178.075 177.300 0.038 0.000 1.148 230 P CA 1.248 64.398 63.100 0.084 0.000 0.828 230 P CB 0.212 31.898 31.700 -0.024 0.000 0.783 231 A N -0.219 122.614 122.820 0.023 0.000 2.024 231 A HA -0.196 4.124 4.320 -0.001 0.000 0.220 231 A C 1.585 179.180 177.584 0.017 0.000 1.164 231 A CA 1.798 53.838 52.037 0.006 0.000 0.643 231 A CB -1.131 17.869 19.000 0.001 0.000 0.806 231 A HN 0.122 nan 8.150 nan 0.000 0.451 232 D N -0.316 120.107 120.400 0.038 0.000 2.319 232 D HA 0.077 4.717 4.640 -0.001 0.000 0.230 232 D C 0.859 177.184 176.300 0.042 0.000 1.094 232 D CA 1.056 55.076 54.000 0.033 0.000 0.856 232 D CB 0.036 40.854 40.800 0.030 0.000 0.915 232 D HN 0.619 nan 8.370 nan 0.000 0.517 233 T N -3.613 110.980 114.554 0.064 0.000 2.888 233 T HA 0.348 4.697 4.350 -0.001 0.000 0.288 233 T C 1.030 175.756 174.700 0.043 0.000 1.063 233 T CA -0.769 61.380 62.100 0.081 0.000 1.010 233 T CB 2.171 71.173 68.868 0.224 0.000 1.214 233 T HN -0.323 nan 8.240 nan 0.000 0.533 234 K N -0.170 120.255 120.400 0.040 0.000 2.280 234 K HA 0.131 4.451 4.320 -0.001 0.000 0.202 234 K C 1.955 178.540 176.600 -0.024 0.000 1.047 234 K CA 0.646 56.937 56.287 0.007 0.000 0.942 234 K CB -0.392 32.113 32.500 0.008 0.000 0.739 234 K HN 0.433 nan 8.250 nan 0.000 0.457 235 L N 0.855 122.059 121.223 -0.032 0.000 2.131 235 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 235 L C 0.909 177.686 176.870 -0.156 0.000 1.092 235 L CA 1.220 55.967 54.840 -0.156 0.000 0.759 235 L CB -0.267 41.578 42.059 -0.356 0.000 0.903 235 L HN 0.289 nan 8.230 nan 0.000 0.435 236 K N -1.352 118.992 120.400 -0.094 0.000 1.699 236 K HA -0.347 3.973 4.320 -0.001 0.000 0.127 236 K C 0.838 177.374 176.600 -0.107 0.000 1.157 236 K CA 1.568 57.809 56.287 -0.076 0.000 0.341 236 K CB -1.309 31.153 32.500 -0.064 0.000 0.645 236 K HN 0.303 nan 8.250 nan 0.000 0.848 237 A N 0.973 123.729 122.820 -0.107 0.000 2.500 237 A HA 0.137 4.457 4.320 -0.001 0.000 0.267 237 A C 0.483 177.969 177.584 -0.163 0.000 1.290 237 A CA 0.214 52.182 52.037 -0.115 0.000 0.928 237 A CB 0.190 19.144 19.000 -0.076 0.000 1.066 237 A HN 0.452 nan 8.150 nan 0.000 0.516 238 D N 0.363 120.640 120.400 -0.205 0.000 2.349 238 D HA 0.121 4.761 4.640 -0.001 0.000 0.215 238 D C 1.997 178.095 176.300 -0.336 0.000 1.016 238 D CA 0.925 54.795 54.000 -0.217 0.000 0.870 238 D CB 0.065 40.761 40.800 -0.175 0.000 0.917 238 D HN 0.421 nan 8.370 nan 0.000 0.524 239 A N 2.085 124.581 122.820 -0.539 0.000 1.873 239 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 239 A C -0.138 176.980 177.584 -0.777 0.000 1.193 239 A CA 1.453 52.947 52.037 -0.905 0.000 0.629 239 A CB -1.532 16.344 19.000 -1.873 0.000 0.826 239 A HN 0.176 nan 8.150 nan 0.000 0.447 240 P HA -0.124 nan 4.420 nan 0.000 0.215 240 P C 1.757 178.959 177.300 -0.164 0.000 1.157 240 P CA 1.828 64.716 63.100 -0.354 0.000 0.874 240 P CB -0.398 31.335 31.700 0.056 0.000 0.790 241 G N -0.373 108.355 108.800 -0.120 0.000 2.418 241 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.217 241 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.217 241 G C 1.490 176.364 174.900 -0.044 0.000 1.158 241 G CA 0.614 45.688 45.100 -0.044 0.000 0.771 241 G HN 0.217 nan 8.290 nan 0.000 0.545 242 L N -0.064 121.080 121.223 -0.133 0.000 2.017 242 L HA -0.006 4.333 4.340 -0.001 0.000 0.208 242 L C 2.860 179.724 176.870 -0.009 0.000 1.073 242 L CA 0.777 55.560 54.840 -0.094 0.000 0.745 242 L CB -0.389 41.556 42.059 -0.190 0.000 0.894 242 L HN 0.186 nan 8.230 nan 0.000 0.432 243 I N -0.672 119.817 120.570 -0.134 0.000 2.252 243 I HA -0.246 3.924 4.170 -0.001 0.000 0.245 243 I C 2.545 178.803 176.117 0.236 0.000 1.102 243 I CA 1.362 62.676 61.300 0.023 0.000 1.385 243 I CB -0.533 37.218 38.000 -0.415 0.000 1.064 243 I HN 0.227 nan 8.210 nan 0.000 0.414 244 T N 0.667 115.328 114.554 0.178 0.000 2.684 244 T HA -0.272 4.078 4.350 -0.001 0.000 0.267 244 T C 1.940 176.789 174.700 0.248 0.000 1.036 244 T CA 1.742 63.995 62.100 0.255 0.000 1.148 244 T CB -0.231 68.777 68.868 0.232 0.000 0.863 244 T HN 0.311 nan 8.240 nan 0.000 0.436 245 K N -0.544 119.998 120.400 0.236 0.000 2.026 245 K HA -0.173 4.147 4.320 -0.001 0.000 0.208 245 K C 2.214 179.066 176.600 0.419 0.000 1.048 245 K CA 1.542 58.007 56.287 0.296 0.000 0.929 245 K CB -0.321 32.301 32.500 0.203 0.000 0.713 245 K HN 0.462 nan 8.250 nan 0.000 0.439 246 W N 1.202 122.611 121.300 0.182 0.000 2.355 246 W HA -0.207 4.452 4.660 -0.001 0.000 0.309 246 W C 1.564 178.301 176.519 0.362 0.000 1.206 246 W CA 1.380 58.871 57.345 0.243 0.000 1.284 246 W CB -0.495 29.110 29.460 0.242 0.000 1.145 246 W HN -0.137 nan 8.180 nan 0.000 0.502 247 V N 1.431 121.432 119.914 0.146 0.000 2.343 247 V HA -0.333 3.787 4.120 -0.001 0.000 0.247 247 V C 2.414 178.563 176.094 0.092 0.000 1.051 247 V CA 2.065 64.317 62.300 -0.079 0.000 1.036 247 V CB -1.034 30.718 31.823 -0.119 0.000 0.654 247 V HN 0.256 nan 8.190 nan 0.000 0.451 248 L N -1.625 119.725 121.223 0.213 0.000 2.131 248 L HA -0.154 4.186 4.340 -0.001 0.000 0.210 248 L C 2.351 179.397 176.870 0.293 0.000 1.092 248 L CA 1.442 56.425 54.840 0.237 0.000 0.759 248 L CB -0.541 41.655 42.059 0.227 0.000 0.903 248 L HN 0.258 nan 8.230 nan 0.000 0.435 249 F N 0.208 120.271 119.950 0.188 0.000 2.293 249 F HA -0.147 4.380 4.527 -0.001 0.000 0.300 249 F C 2.444 178.395 175.800 0.252 0.000 1.086 249 F CA 1.111 59.264 58.000 0.255 0.000 1.375 249 F CB -0.411 38.713 39.000 0.207 0.000 1.045 249 F HN 0.161 nan 8.300 nan 0.000 0.516 250 N N -0.124 118.741 118.700 0.275 0.000 2.207 250 N HA -0.014 4.725 4.740 -0.001 0.000 0.182 250 N C 1.618 177.288 175.510 0.267 0.000 1.020 250 N CA 1.090 54.285 53.050 0.242 0.000 0.858 250 N CB -0.040 38.574 38.487 0.213 0.000 0.991 250 N HN 0.286 nan 8.380 nan 0.000 0.427 251 L N 0.516 121.875 121.223 0.228 0.000 2.693 251 L HA 0.111 4.450 4.340 -0.001 0.000 0.235 251 L C 1.805 178.747 176.870 0.120 0.000 1.127 251 L CA -0.008 54.966 54.840 0.223 0.000 0.914 251 L CB -0.243 41.951 42.059 0.225 0.000 1.193 251 L HN 0.197 nan 8.230 nan 0.000 0.502 252 H N -0.210 118.928 119.070 0.114 0.000 2.390 252 H HA -0.110 4.446 4.556 -0.000 0.000 0.298 252 H C -1.039 174.343 175.328 0.088 0.000 1.106 252 H CA 1.238 57.319 56.048 0.054 0.000 1.297 252 H CB -1.931 27.797 29.762 -0.057 0.000 1.375 252 H HN 0.159 nan 8.280 nan 0.000 0.509 253 P HA -0.044 nan 4.420 nan 0.000 0.230 253 P C 0.626 177.933 177.300 0.011 0.000 1.158 253 P CA 1.084 64.071 63.100 -0.188 0.000 0.769 253 P CB 0.080 31.378 31.700 -0.671 0.000 0.807 254 L N -2.558 118.746 121.223 0.135 0.000 2.766 254 L HA 0.251 4.591 4.340 -0.001 0.000 0.242 254 L C 0.537 177.693 176.870 0.477 0.000 1.136 254 L CA -0.044 54.987 54.840 0.318 0.000 0.933 254 L CB 0.109 42.335 42.059 0.279 0.000 1.241 254 L HN -0.096 nan 8.230 nan 0.000 0.522 255 L N -0.973 120.451 121.223 0.335 0.000 2.354 255 L HA 0.500 4.840 4.340 -0.001 0.000 0.269 255 L C -0.129 176.822 176.870 0.136 0.000 1.005 255 L CA -0.356 54.653 54.840 0.283 0.000 0.819 255 L CB 2.279 44.457 42.059 0.199 0.000 1.311 255 L HN -0.160 nan 8.230 nan 0.000 0.423 256 S N 1.890 117.664 115.700 0.122 0.000 2.472 256 S HA 0.667 5.137 4.470 -0.001 0.000 0.303 256 S C -0.029 174.608 174.600 0.062 0.000 1.099 256 S CA -0.716 57.502 58.200 0.029 0.000 1.077 256 S CB 0.716 63.940 63.200 0.040 0.000 1.031 256 S HN 0.362 nan 8.310 nan 0.000 0.487 257 I N 3.126 123.714 120.570 0.030 0.000 4.088 257 I HA 0.393 4.563 4.170 -0.001 0.000 0.239 257 I C 2.129 178.273 176.117 0.045 0.000 1.479 257 I CA -0.382 60.939 61.300 0.035 0.000 0.897 257 I CB -0.729 37.279 38.000 0.013 0.000 1.709 257 I HN 0.795 nan 8.210 nan 0.000 0.750 258 G N 0.908 109.727 108.800 0.032 0.000 2.534 258 G HA2 0.072 4.032 3.960 -0.001 0.000 0.217 258 G HA3 0.072 4.032 3.960 -0.001 0.000 0.217 258 G C 0.785 175.699 174.900 0.024 0.000 1.128 258 G CA 0.025 45.144 45.100 0.032 0.000 0.784 258 G HN 0.306 nan 8.290 nan 0.000 0.542 259 L N 0.803 122.030 121.223 0.007 0.000 2.464 259 L HA 0.260 4.600 4.340 -0.001 0.000 0.264 259 L C -1.989 174.852 176.870 -0.049 0.000 1.199 259 L CA -1.883 52.941 54.840 -0.027 0.000 0.818 259 L CB 0.273 42.300 42.059 -0.053 0.000 1.102 259 L HN -0.097 nan 8.230 nan 0.000 0.473 260 P HA 0.086 nan 4.420 nan 0.000 0.271 260 P C 0.295 177.425 177.300 -0.284 0.000 1.218 260 P CA -0.332 62.660 63.100 -0.180 0.000 0.780 260 P CB 0.568 32.177 31.700 -0.152 0.000 0.901 261 R N 2.135 122.304 120.500 -0.552 0.000 2.159 261 R HA -0.218 4.122 4.340 -0.001 0.000 0.252 261 R C 1.603 177.672 176.300 -0.385 0.000 1.144 261 R CA 2.626 58.251 56.100 -0.792 0.000 0.961 261 R CB -0.885 28.768 30.300 -1.077 0.000 0.877 261 R HN 0.454 nan 8.270 nan 0.000 0.444 262 V N -2.084 117.655 119.914 -0.292 0.000 2.809 262 V HA -0.097 4.022 4.120 -0.001 0.000 0.256 262 V C 1.997 178.029 176.094 -0.104 0.000 1.080 262 V CA 1.496 63.698 62.300 -0.164 0.000 1.102 262 V CB -0.440 31.303 31.823 -0.134 0.000 0.705 262 V HN 0.260 nan 8.190 nan 0.000 0.475 263 I N 0.099 120.598 120.570 -0.118 0.000 2.429 263 I HA -0.043 4.127 4.170 -0.001 0.000 0.247 263 I C 2.821 178.873 176.117 -0.108 0.000 1.099 263 I CA 1.299 62.544 61.300 -0.092 0.000 1.422 263 I CB -0.372 37.576 38.000 -0.086 0.000 1.112 263 I HN 0.220 nan 8.210 nan 0.000 0.430 264 E N 0.812 120.926 120.200 -0.144 0.000 2.077 264 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 264 E C 2.093 178.540 176.600 -0.256 0.000 0.989 264 E CA 1.000 57.264 56.400 -0.226 0.000 0.800 264 E CB -0.010 29.566 29.700 -0.206 0.000 0.746 264 E HN 0.380 nan 8.360 nan 0.000 0.452 265 E N -0.009 120.149 120.200 -0.070 0.000 2.038 265 E HA -0.162 4.187 4.350 -0.001 0.000 0.195 265 E C -0.574 176.079 176.600 0.088 0.000 1.000 265 E CA 1.345 57.809 56.400 0.108 0.000 0.803 265 E CB -1.331 28.504 29.700 0.225 0.000 0.750 265 E HN 0.343 nan 8.360 nan 0.000 0.448 266 P HA -0.085 nan 4.420 nan 0.000 0.222 266 P C 1.748 179.106 177.300 0.097 0.000 1.153 266 P CA 0.816 63.986 63.100 0.118 0.000 0.798 266 P CB 0.060 31.821 31.700 0.102 0.000 0.796 267 L N 0.182 121.399 121.223 -0.010 0.000 2.162 267 L HA 0.117 4.456 4.340 -0.001 0.000 0.205 267 L C 2.092 178.890 176.870 -0.120 0.000 1.086 267 L CA 1.494 56.297 54.840 -0.061 0.000 0.778 267 L CB -0.531 41.464 42.059 -0.106 0.000 0.928 267 L HN -0.087 nan 8.230 nan 0.000 0.446 268 I N -6.627 113.843 120.570 -0.166 0.000 4.439 268 I HA 0.259 4.429 4.170 -0.001 0.000 0.331 268 I C 0.964 177.174 176.117 0.156 0.000 1.345 268 I CA -0.112 61.119 61.300 -0.116 0.000 1.193 268 I CB -0.052 37.827 38.000 -0.203 0.000 1.221 268 I HN -0.037 nan 8.210 nan 0.000 0.429 269 H N 0.670 119.776 119.070 0.059 0.000 2.652 269 H HA 0.382 4.938 4.556 -0.000 0.000 0.274 269 H C 1.222 176.553 175.328 0.005 0.000 1.021 269 H CA 0.482 56.544 56.048 0.024 0.000 1.187 269 H CB 0.629 30.397 29.762 0.009 0.000 1.505 269 H HN 0.262 nan 8.280 nan 0.000 0.530 270 T N -0.714 113.918 114.554 0.130 0.000 3.026 270 T HA 0.203 4.553 4.350 -0.001 0.000 0.245 270 T C -0.028 174.540 174.700 -0.221 0.000 1.004 270 T CA 0.373 62.432 62.100 -0.068 0.000 1.069 270 T CB 0.616 69.457 68.868 -0.045 0.000 1.005 270 T HN -0.072 nan 8.240 nan 0.000 0.472 271 F N 0.880 120.936 119.950 0.176 0.000 2.603 271 F HA 0.555 5.082 4.527 -0.000 0.000 0.317 271 F C 0.216 176.118 175.800 0.170 0.000 1.066 271 F CA -1.235 56.858 58.000 0.156 0.000 0.941 271 F CB 1.485 40.544 39.000 0.099 0.000 1.291 271 F HN -0.254 nan 8.300 nan 0.000 0.472 272 S N 2.075 117.996 115.700 0.369 0.000 2.533 272 S HA 0.318 4.787 4.470 -0.001 0.000 0.282 272 S C -0.148 174.591 174.600 0.232 0.000 1.304 272 S CA -0.570 57.835 58.200 0.341 0.000 1.063 272 S CB 0.061 63.411 63.200 0.249 0.000 0.881 272 S HN 0.338 nan 8.310 nan 0.000 0.493 273 L N 5.370 126.671 121.223 0.130 0.000 2.456 273 L HA 0.230 4.570 4.340 -0.001 0.000 0.272 273 L C -1.793 175.169 176.870 0.152 0.000 1.189 273 L CA -1.667 53.095 54.840 -0.130 0.000 0.846 273 L CB -0.108 41.509 42.059 -0.737 0.000 1.111 273 L HN 0.382 nan 8.230 nan 0.000 0.475 274 P HA 0.146 nan 4.420 nan 0.000 0.276 274 P C -2.315 175.197 177.300 0.353 0.000 1.253 274 P CA -1.550 61.686 63.100 0.226 0.000 0.766 274 P CB 0.673 32.456 31.700 0.138 0.000 0.845 275 P HA -0.193 nan 4.420 nan 0.000 0.218 275 P C 1.488 178.835 177.300 0.078 0.000 1.146 275 P CA 1.679 64.906 63.100 0.213 0.000 0.813 275 P CB -0.257 31.528 31.700 0.142 0.000 0.778 276 A N -0.351 122.514 122.820 0.075 0.000 1.986 276 A HA -0.194 4.126 4.320 -0.001 0.000 0.220 276 A C 2.038 179.623 177.584 0.002 0.000 1.171 276 A CA 1.462 53.518 52.037 0.031 0.000 0.640 276 A CB -1.657 17.364 19.000 0.035 0.000 0.811 276 A HN 0.185 nan 8.150 nan 0.000 0.451 277 L N -1.179 120.056 121.223 0.020 0.000 2.465 277 L HA -0.013 4.327 4.340 -0.001 0.000 0.224 277 L C 1.853 178.571 176.870 -0.254 0.000 1.145 277 L CA 0.510 55.333 54.840 -0.029 0.000 0.834 277 L CB -0.028 42.133 42.059 0.170 0.000 0.944 277 L HN 0.315 nan 8.230 nan 0.000 0.451 278 V N -1.448 118.226 119.914 -0.400 0.000 3.477 278 V HA 0.050 4.170 4.120 -0.001 0.000 0.297 278 V C 2.054 178.101 176.094 -0.078 0.000 1.433 278 V CA 0.149 62.227 62.300 -0.371 0.000 1.052 278 V CB 0.184 31.581 31.823 -0.709 0.000 0.895 278 V HN 0.197 nan 8.190 nan 0.000 0.438 279 K N 1.435 121.810 120.400 -0.043 0.000 2.044 279 K HA -0.162 4.157 4.320 -0.001 0.000 0.210 279 K C 2.327 178.968 176.600 0.068 0.000 1.049 279 K CA 2.158 58.462 56.287 0.028 0.000 0.927 279 K CB -0.454 32.051 32.500 0.008 0.000 0.713 279 K HN 0.703 nan 8.250 nan 0.000 0.443 280 S N 0.557 116.272 115.700 0.026 0.000 2.402 280 S HA -0.116 4.354 4.470 -0.001 0.000 0.229 280 S C 1.517 176.130 174.600 0.021 0.000 1.021 280 S CA 1.191 59.406 58.200 0.025 0.000 0.974 280 S CB -0.158 63.046 63.200 0.007 0.000 0.800 280 S HN 0.174 nan 8.310 nan 0.000 0.484 281 D N 0.678 121.085 120.400 0.011 0.000 2.097 281 D HA -0.073 4.567 4.640 -0.001 0.000 0.195 281 D C 1.621 177.914 176.300 -0.012 0.000 0.989 281 D CA 1.314 55.310 54.000 -0.007 0.000 0.827 281 D CB -0.713 40.085 40.800 -0.004 0.000 0.966 281 D HN 0.542 nan 8.370 nan 0.000 0.456 282 Y N 1.380 121.619 120.300 -0.101 0.000 2.151 282 Y HA -0.323 4.227 4.550 -0.001 0.000 0.284 282 Y C 2.465 178.334 175.900 -0.052 0.000 1.166 282 Y CA 2.053 60.052 58.100 -0.169 0.000 1.163 282 Y CB -0.195 38.161 38.460 -0.173 0.000 0.974 282 Y HN -0.101 nan 8.280 nan 0.000 0.511 283 Q N 0.623 120.482 119.800 0.100 0.000 2.096 283 Q HA -0.205 4.134 4.340 -0.001 0.000 0.204 283 Q C 2.218 178.235 176.000 0.030 0.000 0.982 283 Q CA 2.031 57.881 55.803 0.079 0.000 0.850 283 Q CB -0.246 28.538 28.738 0.076 0.000 0.901 283 Q HN 0.466 nan 8.270 nan 0.000 0.422 284 R N -0.538 119.951 120.500 -0.019 0.000 2.091 284 R HA -0.117 4.223 4.340 -0.001 0.000 0.238 284 R C 2.402 178.674 176.300 -0.047 0.000 1.136 284 R CA 1.563 57.643 56.100 -0.034 0.000 0.959 284 R CB -0.503 29.756 30.300 -0.068 0.000 0.856 284 R HN 0.308 nan 8.270 nan 0.000 0.437 285 L N -0.751 120.395 121.223 -0.127 0.000 2.017 285 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 285 L C 2.453 179.356 176.870 0.054 0.000 1.073 285 L CA 1.391 56.176 54.840 -0.092 0.000 0.745 285 L CB -0.625 41.266 42.059 -0.280 0.000 0.894 285 L HN 0.173 nan 8.230 nan 0.000 0.432 286 Y N 1.047 121.187 120.300 -0.267 0.000 2.114 286 Y HA -0.367 4.183 4.550 -0.001 0.000 0.282 286 Y C 2.705 178.574 175.900 -0.051 0.000 1.165 286 Y CA 2.227 60.208 58.100 -0.198 0.000 1.148 286 Y CB -0.178 38.140 38.460 -0.237 0.000 0.972 286 Y HN 0.225 nan 8.280 nan 0.000 0.504 287 E N -0.613 119.649 120.200 0.104 0.000 2.070 287 E HA -0.319 4.030 4.350 -0.001 0.000 0.197 287 E C 2.174 178.724 176.600 -0.084 0.000 1.004 287 E CA 1.673 58.092 56.400 0.031 0.000 0.805 287 E CB -0.623 29.114 29.700 0.062 0.000 0.744 287 E HN 0.539 nan 8.360 nan 0.000 0.451 288 F N 0.223 120.058 119.950 -0.191 0.000 2.069 288 F HA -0.221 4.305 4.527 -0.000 0.000 0.298 288 F C 1.807 177.340 175.800 -0.445 0.000 1.113 288 F CA 1.763 59.581 58.000 -0.303 0.000 1.214 288 F CB -0.470 38.313 39.000 -0.362 0.000 0.978 288 F HN 0.036 nan 8.300 nan 0.000 0.474 289 F N -0.307 119.448 119.950 -0.325 0.000 2.146 289 F HA -0.150 4.377 4.527 -0.001 0.000 0.298 289 F C 2.209 177.636 175.800 -0.621 0.000 1.096 289 F CA 1.250 58.919 58.000 -0.551 0.000 1.275 289 F CB -1.091 37.657 39.000 -0.420 0.000 1.008 289 F HN 0.041 nan 8.300 nan 0.000 0.480 290 L N 0.526 121.472 121.223 -0.461 0.000 2.013 290 L HA -0.233 4.106 4.340 -0.001 0.000 0.212 290 L C 2.034 178.708 176.870 -0.326 0.000 1.073 290 L CA 1.996 56.579 54.840 -0.429 0.000 0.753 290 L CB -0.700 41.098 42.059 -0.436 0.000 0.890 290 L HN 0.169 nan 8.230 nan 0.000 0.432 291 E N -1.641 118.350 120.200 -0.348 0.000 2.285 291 E HA -0.058 4.291 4.350 -0.001 0.000 0.194 291 E C 1.922 178.301 176.600 -0.368 0.000 0.997 291 E CA 0.933 57.155 56.400 -0.298 0.000 0.845 291 E CB 0.101 29.654 29.700 -0.246 0.000 0.782 291 E HN 0.462 nan 8.360 nan 0.000 0.491 292 S N 0.265 115.621 115.700 -0.573 0.000 2.492 292 S HA 0.134 4.604 4.470 -0.001 0.000 0.218 292 S C 1.553 175.925 174.600 -0.380 0.000 1.016 292 S CA 0.234 58.078 58.200 -0.593 0.000 0.916 292 S CB 0.727 63.261 63.200 -1.110 0.000 0.791 292 S HN 0.224 nan 8.310 nan 0.000 0.513 293 A N 1.499 124.086 122.820 -0.388 0.000 2.476 293 A HA 0.552 4.872 4.320 -0.001 0.000 0.263 293 A C 1.832 179.386 177.584 -0.050 0.000 1.342 293 A CA 0.362 52.286 52.037 -0.188 0.000 0.926 293 A CB -0.941 17.907 19.000 -0.253 0.000 1.019 293 A HN 0.405 nan 8.150 nan 0.000 0.515 294 G N 0.573 109.332 108.800 -0.068 0.000 2.599 294 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.219 294 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.219 294 G C 1.344 176.255 174.900 0.017 0.000 1.193 294 G CA 1.419 46.498 45.100 -0.034 0.000 0.778 294 G HN 0.614 nan 8.290 nan 0.000 0.589 295 E N -0.307 119.929 120.200 0.060 0.000 2.085 295 E HA -0.117 4.233 4.350 -0.001 0.000 0.194 295 E C 2.553 179.254 176.600 0.168 0.000 0.994 295 E CA 0.962 57.426 56.400 0.107 0.000 0.801 295 E CB -0.089 29.684 29.700 0.121 0.000 0.743 295 E HN 0.388 nan 8.360 nan 0.000 0.453 296 I N 0.609 121.292 120.570 0.188 0.000 2.394 296 I HA -0.204 3.966 4.170 -0.001 0.000 0.251 296 I C 2.176 178.334 176.117 0.068 0.000 1.136 296 I CA 1.051 62.484 61.300 0.221 0.000 1.425 296 I CB -1.001 37.139 38.000 0.233 0.000 1.079 296 I HN 0.253 nan 8.210 nan 0.000 0.425 297 L N -0.129 121.107 121.223 0.023 0.000 2.201 297 L HA -0.128 4.212 4.340 -0.001 0.000 0.212 297 L C 2.588 179.428 176.870 -0.050 0.000 1.105 297 L CA 0.479 55.300 54.840 -0.032 0.000 0.775 297 L CB -0.462 41.566 42.059 -0.052 0.000 0.913 297 L HN 0.030 nan 8.230 nan 0.000 0.440 298 V N -0.020 119.871 119.914 -0.037 0.000 2.343 298 V HA -0.274 3.846 4.120 -0.001 0.000 0.247 298 V C 2.506 178.521 176.094 -0.131 0.000 1.051 298 V CA 1.981 64.245 62.300 -0.060 0.000 1.036 298 V CB -0.319 31.488 31.823 -0.026 0.000 0.654 298 V HN 0.431 nan 8.190 nan 0.000 0.451 299 E N 0.667 120.735 120.200 -0.220 0.000 2.106 299 E HA -0.149 4.200 4.350 -0.001 0.000 0.192 299 E C 2.120 178.565 176.600 -0.258 0.000 0.984 299 E CA 1.469 57.617 56.400 -0.420 0.000 0.806 299 E CB -0.449 28.658 29.700 -0.989 0.000 0.750 299 E HN 0.507 nan 8.360 nan 0.000 0.458 300 A N 0.987 123.709 122.820 -0.162 0.000 1.908 300 A HA -0.250 4.070 4.320 -0.001 0.000 0.218 300 A C 1.886 179.412 177.584 -0.097 0.000 1.181 300 A CA 2.023 53.992 52.037 -0.114 0.000 0.627 300 A CB -0.876 18.073 19.000 -0.084 0.000 0.818 300 A HN 0.309 nan 8.150 nan 0.000 0.445 301 D N -0.184 120.164 120.400 -0.088 0.000 2.116 301 D HA -0.165 4.474 4.640 -0.001 0.000 0.193 301 D C 1.905 178.161 176.300 -0.073 0.000 0.998 301 D CA 1.707 55.666 54.000 -0.067 0.000 0.836 301 D CB -0.336 40.429 40.800 -0.059 0.000 0.951 301 D HN 0.529 nan 8.370 nan 0.000 0.449 302 K N -0.046 120.294 120.400 -0.100 0.000 2.147 302 K HA -0.007 4.313 4.320 -0.001 0.000 0.205 302 K C 2.084 178.631 176.600 -0.089 0.000 1.049 302 K CA 0.452 56.680 56.287 -0.098 0.000 0.936 302 K CB -0.067 32.352 32.500 -0.135 0.000 0.722 302 K HN 0.144 nan 8.250 nan 0.000 0.446 303 L N -0.314 120.847 121.223 -0.103 0.000 2.552 303 L HA 0.042 4.382 4.340 -0.001 0.000 0.227 303 L C 1.001 177.837 176.870 -0.058 0.000 1.146 303 L CA 0.429 55.219 54.840 -0.083 0.000 0.858 303 L CB -0.017 41.982 42.059 -0.100 0.000 0.969 303 L HN 0.465 nan 8.230 nan 0.000 0.451 304 G N 0.709 109.478 108.800 -0.052 0.000 2.136 304 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.242 304 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.242 304 G C 0.094 174.976 174.900 -0.030 0.000 0.989 304 G CA -0.174 44.906 45.100 -0.034 0.000 0.682 304 G HN 0.282 nan 8.290 nan 0.000 0.522 305 I N 1.779 122.323 120.570 -0.043 0.000 2.437 305 I HA 0.468 4.638 4.170 -0.001 0.000 0.298 305 I C 1.237 177.333 176.117 -0.035 0.000 0.984 305 I CA -0.433 60.842 61.300 -0.043 0.000 1.214 305 I CB 1.728 39.687 38.000 -0.068 0.000 1.365 305 I HN 0.322 nan 8.210 nan 0.000 0.469 306 S N 5.446 121.135 115.700 -0.017 0.000 2.584 306 S HA 0.238 4.707 4.470 -0.001 0.000 0.270 306 S C 1.007 175.591 174.600 -0.027 0.000 1.346 306 S CA -0.454 57.745 58.200 -0.001 0.000 1.018 306 S CB 1.058 64.286 63.200 0.047 0.000 0.899 306 S HN 0.630 nan 8.310 nan 0.000 0.542 307 R N 0.610 121.101 120.500 -0.015 0.000 2.148 307 R HA -0.076 4.264 4.340 -0.001 0.000 0.227 307 R C 2.349 178.632 176.300 -0.028 0.000 1.103 307 R CA 1.423 57.502 56.100 -0.036 0.000 0.983 307 R CB -0.331 29.951 30.300 -0.031 0.000 0.874 307 R HN 0.933 nan 8.270 nan 0.000 0.451 308 E N 1.346 121.572 120.200 0.042 0.000 2.031 308 E HA -0.252 4.098 4.350 -0.001 0.000 0.193 308 E C 1.864 178.460 176.600 -0.007 0.000 0.994 308 E CA 1.372 57.847 56.400 0.125 0.000 0.800 308 E CB 0.065 29.908 29.700 0.238 0.000 0.752 308 E HN 0.305 nan 8.360 nan 0.000 0.447 309 E N -0.036 120.048 120.200 -0.192 0.000 2.077 309 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 309 E C 1.956 178.395 176.600 -0.268 0.000 0.989 309 E CA 1.122 57.182 56.400 -0.566 0.000 0.800 309 E CB -0.202 29.173 29.700 -0.542 0.000 0.746 309 E HN 0.356 nan 8.360 nan 0.000 0.452 310 A N 0.261 122.984 122.820 -0.161 0.000 1.883 310 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 310 A C 2.419 179.929 177.584 -0.124 0.000 1.186 310 A CA 2.224 54.188 52.037 -0.122 0.000 0.624 310 A CB -1.109 17.833 19.000 -0.097 0.000 0.822 310 A HN 0.368 nan 8.150 nan 0.000 0.444 311 T N -0.863 113.592 114.554 -0.165 0.000 2.708 311 T HA -0.147 4.203 4.350 -0.001 0.000 0.266 311 T C 1.714 176.283 174.700 -0.219 0.000 1.037 311 T CA 1.902 63.836 62.100 -0.276 0.000 1.146 311 T CB -0.499 68.046 68.868 -0.538 0.000 0.865 311 T HN 0.741 nan 8.240 nan 0.000 0.435 312 H N 0.917 120.016 119.070 0.048 0.000 2.387 312 H HA -0.040 4.516 4.556 -0.001 0.000 0.299 312 H C 2.384 177.752 175.328 0.067 0.000 1.099 312 H CA 1.586 57.724 56.048 0.151 0.000 1.315 312 H CB -0.108 29.771 29.762 0.195 0.000 1.380 312 H HN 0.317 nan 8.280 nan 0.000 0.513 313 N N -0.193 118.550 118.700 0.072 0.000 2.216 313 N HA -0.064 4.675 4.740 -0.001 0.000 0.183 313 N C 1.523 177.046 175.510 0.022 0.000 1.017 313 N CA 0.556 53.627 53.050 0.035 0.000 0.861 313 N CB 0.043 38.497 38.487 -0.056 0.000 0.986 313 N HN 0.212 nan 8.380 nan 0.000 0.428 314 L N 0.306 121.491 121.223 -0.064 0.000 2.056 314 L HA -0.114 4.225 4.340 -0.001 0.000 0.207 314 L C 2.221 178.899 176.870 -0.319 0.000 1.078 314 L CA 0.779 55.568 54.840 -0.086 0.000 0.749 314 L CB -0.442 41.592 42.059 -0.041 0.000 0.901 314 L HN 0.267 nan 8.230 nan 0.000 0.433 315 L N -0.940 119.914 121.223 -0.615 0.000 1.989 315 L HA -0.288 4.052 4.340 -0.001 0.000 0.211 315 L C 2.560 179.282 176.870 -0.246 0.000 1.071 315 L CA 1.614 55.835 54.840 -1.032 0.000 0.749 315 L CB -0.287 41.327 42.059 -0.742 0.000 0.890 315 L HN 0.093 nan 8.230 nan 0.000 0.431 316 F N 0.249 120.196 119.950 -0.005 0.000 2.102 316 F HA -0.246 4.281 4.527 -0.001 0.000 0.298 316 F C 2.409 178.378 175.800 0.283 0.000 1.105 316 F CA 1.657 59.841 58.000 0.306 0.000 1.239 316 F CB -0.301 38.865 39.000 0.277 0.000 0.991 316 F HN 0.176 nan 8.300 nan 0.000 0.474 317 A N -0.850 122.197 122.820 0.379 0.000 1.933 317 A HA -0.168 4.151 4.320 -0.001 0.000 0.218 317 A C 2.136 179.907 177.584 0.312 0.000 1.175 317 A CA 2.282 54.497 52.037 0.297 0.000 0.628 317 A CB -1.286 17.797 19.000 0.139 0.000 0.814 317 A HN 0.435 nan 8.150 nan 0.000 0.444 318 T N -1.205 113.523 114.554 0.290 0.000 2.809 318 T HA -0.109 4.241 4.350 -0.001 0.000 0.260 318 T C 1.941 176.931 174.700 0.483 0.000 1.039 318 T CA 1.524 63.899 62.100 0.458 0.000 1.141 318 T CB -0.478 68.771 68.868 0.634 0.000 0.869 318 T HN 0.581 nan 8.240 nan 0.000 0.437 319 C N 0.115 119.653 119.300 0.396 0.000 2.522 319 C HA 0.274 4.734 4.460 -0.001 0.000 0.280 319 C C 2.283 177.581 174.990 0.514 0.000 1.303 319 C CA -0.413 58.876 59.018 0.450 0.000 1.709 319 C CB -1.178 26.747 27.740 0.308 0.000 2.071 319 C HN 0.521 nan 8.230 nan 0.000 0.492 320 F N 2.096 122.189 119.950 0.238 0.000 2.074 320 F HA -0.021 4.506 4.527 -0.001 0.000 0.290 320 F C 2.167 178.076 175.800 0.182 0.000 1.118 320 F CA 1.908 59.934 58.000 0.043 0.000 1.199 320 F CB -0.361 38.180 39.000 -0.765 0.000 1.012 320 F HN 0.191 nan 8.300 nan 0.000 0.472 321 N N -0.821 118.210 118.700 0.551 0.000 2.062 321 N HA -0.139 4.601 4.740 -0.001 0.000 0.191 321 N C 1.551 177.311 175.510 0.418 0.000 1.042 321 N CA 2.217 55.589 53.050 0.537 0.000 0.845 321 N CB -0.541 38.224 38.487 0.463 0.000 1.024 321 N HN 0.181 nan 8.380 nan 0.000 0.424 322 T N -0.507 114.292 114.554 0.408 0.000 2.643 322 T HA -0.138 4.212 4.350 -0.001 0.000 0.256 322 T C 1.399 176.306 174.700 0.344 0.000 1.061 322 T CA 0.893 63.226 62.100 0.387 0.000 1.163 322 T CB -0.723 68.398 68.868 0.422 0.000 0.865 322 T HN 0.379 nan 8.240 nan 0.000 0.407 323 W N 1.956 123.383 121.300 0.211 0.000 2.338 323 W HA -0.056 4.603 4.660 -0.001 0.000 0.304 323 W C 2.475 179.043 176.519 0.082 0.000 1.212 323 W CA 1.434 58.874 57.345 0.157 0.000 1.264 323 W CB -0.824 28.790 29.460 0.257 0.000 1.142 323 W HN 0.323 nan 8.180 nan 0.000 0.512 324 G N 0.082 109.036 108.800 0.256 0.000 2.446 324 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.217 324 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.217 324 G C 1.671 176.514 174.900 -0.095 0.000 1.168 324 G CA 1.245 46.332 45.100 -0.023 0.000 0.771 324 G HN 0.519 nan 8.290 nan 0.000 0.551 325 G N 0.683 109.506 108.800 0.039 0.000 2.421 325 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.216 325 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.216 325 G C 1.910 176.759 174.900 -0.085 0.000 1.171 325 G CA 1.024 46.154 45.100 0.050 0.000 0.775 325 G HN 0.420 nan 8.290 nan 0.000 0.543 326 M N 0.035 119.522 119.600 -0.189 0.000 2.213 326 M HA 0.019 4.498 4.480 -0.001 0.000 0.263 326 M C 2.463 178.492 176.300 -0.453 0.000 1.062 326 M CA 1.277 56.305 55.300 -0.454 0.000 1.105 326 M CB -0.151 32.094 32.600 -0.593 0.000 1.385 326 M HN 0.195 nan 8.290 nan 0.000 0.417 327 K N 1.094 121.192 120.400 -0.503 0.000 2.103 327 K HA -0.152 4.168 4.320 -0.001 0.000 0.207 327 K C 1.562 178.032 176.600 -0.217 0.000 1.048 327 K CA 1.345 57.331 56.287 -0.501 0.000 0.930 327 K CB -0.051 31.998 32.500 -0.753 0.000 0.716 327 K HN 0.311 nan 8.250 nan 0.000 0.444 328 I N 0.347 120.833 120.570 -0.140 0.000 2.235 328 I HA -0.214 3.955 4.170 -0.001 0.000 0.241 328 I C 2.234 178.370 176.117 0.031 0.000 1.085 328 I CA 0.347 61.630 61.300 -0.029 0.000 1.378 328 I CB -0.204 37.798 38.000 0.003 0.000 1.076 328 I HN 0.157 nan 8.210 nan 0.000 0.415 329 L N 0.407 121.646 121.223 0.027 0.000 2.005 329 L HA -0.164 4.176 4.340 -0.001 0.000 0.207 329 L C 2.287 179.310 176.870 0.255 0.000 1.072 329 L CA 2.009 56.917 54.840 0.113 0.000 0.744 329 L CB -0.704 41.402 42.059 0.078 0.000 0.895 329 L HN 0.003 nan 8.230 nan 0.000 0.433 330 F N 0.263 120.171 119.950 -0.070 0.000 2.102 330 F HA -0.044 4.483 4.527 -0.001 0.000 0.298 330 F C -0.170 175.680 175.800 0.084 0.000 1.105 330 F CA 0.982 58.918 58.000 -0.106 0.000 1.239 330 F CB -2.528 36.280 39.000 -0.321 0.000 0.991 330 F HN 0.188 nan 8.300 nan 0.000 0.474 331 P HA -0.147 nan 4.420 nan 0.000 0.215 331 P C 1.112 178.464 177.300 0.087 0.000 1.153 331 P CA 1.822 65.050 63.100 0.214 0.000 0.853 331 P CB -0.192 31.641 31.700 0.221 0.000 0.788 332 N N -1.133 117.631 118.700 0.107 0.000 2.104 332 N HA -0.134 4.606 4.740 -0.001 0.000 0.190 332 N C 1.736 177.288 175.510 0.070 0.000 1.024 332 N CA 1.139 54.241 53.050 0.086 0.000 0.853 332 N CB -0.371 38.180 38.487 0.106 0.000 1.008 332 N HN 0.123 nan 8.380 nan 0.000 0.424 333 M N 0.271 119.938 119.600 0.113 0.000 2.117 333 M HA -0.135 4.345 4.480 -0.001 0.000 0.262 333 M C 2.156 178.500 176.300 0.072 0.000 1.065 333 M CA 1.134 56.504 55.300 0.116 0.000 1.114 333 M CB -0.176 32.537 32.600 0.189 0.000 1.361 333 M HN 0.007 nan 8.290 nan 0.000 0.408 334 V N 0.740 120.665 119.914 0.019 0.000 2.287 334 V HA -0.308 3.811 4.120 -0.001 0.000 0.248 334 V C 2.351 178.463 176.094 0.030 0.000 1.053 334 V CA 2.094 64.344 62.300 -0.084 0.000 1.027 334 V CB -0.801 30.719 31.823 -0.505 0.000 0.646 334 V HN 0.486 nan 8.190 nan 0.000 0.447 335 K N -0.290 120.090 120.400 -0.033 0.000 2.026 335 K HA -0.192 4.128 4.320 -0.001 0.000 0.208 335 K C 2.442 178.993 176.600 -0.081 0.000 1.048 335 K CA 1.325 57.594 56.287 -0.030 0.000 0.929 335 K CB -0.081 32.406 32.500 -0.023 0.000 0.713 335 K HN 0.204 nan 8.250 nan 0.000 0.439 336 R N 0.612 121.006 120.500 -0.177 0.000 2.073 336 R HA 0.012 4.352 4.340 -0.001 0.000 0.229 336 R C 2.352 178.328 176.300 -0.540 0.000 1.120 336 R CA 1.101 56.885 56.100 -0.526 0.000 0.967 336 R CB -0.622 29.157 30.300 -0.868 0.000 0.862 336 R HN 0.360 nan 8.270 nan 0.000 0.436 337 I N 0.055 120.517 120.570 -0.180 0.000 2.252 337 I HA -0.152 4.018 4.170 -0.001 0.000 0.245 337 I C 2.480 178.702 176.117 0.175 0.000 1.102 337 I CA 1.449 62.805 61.300 0.092 0.000 1.385 337 I CB -0.762 37.406 38.000 0.280 0.000 1.064 337 I HN 0.213 nan 8.210 nan 0.000 0.414 338 G N 0.932 109.815 108.800 0.138 0.000 2.476 338 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.218 338 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.218 338 G C 1.788 176.645 174.900 -0.072 0.000 1.164 338 G CA 0.623 45.722 45.100 -0.000 0.000 0.768 338 G HN 0.319 nan 8.290 nan 0.000 0.560 339 R N 0.470 120.911 120.500 -0.099 0.000 2.280 339 R HA 0.211 4.551 4.340 -0.001 0.000 0.207 339 R C 2.769 178.970 176.300 -0.165 0.000 1.043 339 R CA 0.534 56.547 56.100 -0.145 0.000 1.006 339 R CB -0.112 30.107 30.300 -0.136 0.000 0.885 339 R HN 0.362 nan 8.270 nan 0.000 0.467 340 A N 1.100 123.842 122.820 -0.131 0.000 2.067 340 A HA 0.151 4.470 4.320 -0.001 0.000 0.219 340 A C 1.042 178.514 177.584 -0.187 0.000 1.158 340 A CA 1.144 53.144 52.037 -0.061 0.000 0.661 340 A CB -0.225 18.843 19.000 0.114 0.000 0.801 340 A HN 0.436 nan 8.150 nan 0.000 0.452 341 G N -2.715 105.846 108.800 -0.398 0.000 2.663 341 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.686 341 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.686 341 G C 0.018 174.484 174.900 -0.723 0.000 1.288 341 G CA 0.053 44.814 45.100 -0.566 0.000 0.836 341 G HN 0.564 nan 8.290 nan 0.000 0.584 342 H N 0.253 119.015 119.070 -0.513 0.000 2.462 342 H HA -0.020 4.535 4.556 -0.001 0.000 0.292 342 H C 2.755 177.962 175.328 -0.202 0.000 1.049 342 H CA 1.641 57.455 56.048 -0.390 0.000 1.334 342 H CB 0.283 29.927 29.762 -0.196 0.000 1.404 342 H HN 0.515 nan 8.280 nan 0.000 0.544 343 Q N 0.363 120.118 119.800 -0.076 0.000 2.079 343 Q HA -0.100 4.240 4.340 -0.001 0.000 0.200 343 Q C 2.498 178.460 176.000 -0.064 0.000 0.974 343 Q CA 1.287 57.056 55.803 -0.055 0.000 0.840 343 Q CB -0.081 28.619 28.738 -0.065 0.000 0.898 343 Q HN 0.249 nan 8.270 nan 0.000 0.430 344 V N 0.440 120.302 119.914 -0.086 0.000 2.343 344 V HA -0.298 3.821 4.120 -0.001 0.000 0.247 344 V C 1.885 177.939 176.094 -0.065 0.000 1.051 344 V CA 2.043 64.306 62.300 -0.061 0.000 1.036 344 V CB -0.683 31.131 31.823 -0.016 0.000 0.654 344 V HN 0.507 nan 8.190 nan 0.000 0.451 345 H N 0.059 119.025 119.070 -0.173 0.000 2.319 345 H HA -0.164 4.392 4.556 -0.001 0.000 0.299 345 H C 2.355 177.511 175.328 -0.287 0.000 1.092 345 H CA 1.457 57.353 56.048 -0.252 0.000 1.302 345 H CB 0.006 29.812 29.762 0.075 0.000 1.373 345 H HN 0.413 nan 8.280 nan 0.000 0.497 346 N N 0.803 119.505 118.700 0.004 0.000 2.120 346 N HA -0.113 4.626 4.740 -0.001 0.000 0.188 346 N C 1.889 177.342 175.510 -0.095 0.000 1.024 346 N CA 0.925 53.956 53.050 -0.032 0.000 0.852 346 N CB -0.247 38.235 38.487 -0.008 0.000 1.003 346 N HN 0.371 nan 8.380 nan 0.000 0.424 347 R N 0.356 120.786 120.500 -0.117 0.000 2.092 347 R HA 0.050 4.390 4.340 -0.001 0.000 0.231 347 R C 2.236 178.427 176.300 -0.182 0.000 1.119 347 R CA 0.628 56.655 56.100 -0.122 0.000 0.970 347 R CB -0.426 29.814 30.300 -0.100 0.000 0.864 347 R HN 0.229 nan 8.270 nan 0.000 0.440 348 L N 0.258 121.287 121.223 -0.324 0.000 2.017 348 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 348 L C 2.731 179.393 176.870 -0.346 0.000 1.073 348 L CA 1.281 55.853 54.840 -0.447 0.000 0.745 348 L CB -0.593 40.927 42.059 -0.898 0.000 0.894 348 L HN 0.214 nan 8.230 nan 0.000 0.432 349 A N -0.015 122.604 122.820 -0.334 0.000 1.883 349 A HA -0.287 4.032 4.320 -0.001 0.000 0.217 349 A C 2.183 179.733 177.584 -0.055 0.000 1.186 349 A CA 2.101 54.096 52.037 -0.071 0.000 0.624 349 A CB -0.552 18.470 19.000 0.036 0.000 0.822 349 A HN 0.428 nan 8.150 nan 0.000 0.444 350 E N 0.243 120.400 120.200 -0.072 0.000 2.051 350 E HA -0.225 4.124 4.350 -0.001 0.000 0.192 350 E C 1.978 178.548 176.600 -0.050 0.000 0.991 350 E CA 1.901 58.271 56.400 -0.051 0.000 0.799 350 E CB -0.392 29.279 29.700 -0.049 0.000 0.748 350 E HN 0.702 nan 8.360 nan 0.000 0.449 351 E N -0.106 120.054 120.200 -0.067 0.000 2.038 351 E HA -0.201 4.148 4.350 -0.001 0.000 0.195 351 E C 2.239 178.812 176.600 -0.045 0.000 1.000 351 E CA 1.676 58.043 56.400 -0.055 0.000 0.803 351 E CB -0.275 29.384 29.700 -0.068 0.000 0.750 351 E HN 0.406 nan 8.360 nan 0.000 0.448 352 I N 0.782 121.321 120.570 -0.051 0.000 2.127 352 I HA -0.304 3.866 4.170 -0.001 0.000 0.241 352 I C 2.729 178.830 176.117 -0.027 0.000 1.075 352 I CA 1.375 62.654 61.300 -0.035 0.000 1.334 352 I CB -0.296 37.691 38.000 -0.021 0.000 1.040 352 I HN 0.107 nan 8.210 nan 0.000 0.405 353 R N -0.172 120.313 120.500 -0.025 0.000 2.090 353 R HA -0.085 4.255 4.340 -0.001 0.000 0.228 353 R C 2.461 178.749 176.300 -0.020 0.000 1.110 353 R CA 1.394 57.480 56.100 -0.023 0.000 0.973 353 R CB -0.647 29.640 30.300 -0.023 0.000 0.869 353 R HN 0.278 nan 8.270 nan 0.000 0.440 354 S N 0.781 116.469 115.700 -0.021 0.000 2.356 354 S HA -0.089 4.380 4.470 -0.001 0.000 0.223 354 S C 2.096 176.688 174.600 -0.013 0.000 1.032 354 S CA 1.109 59.299 58.200 -0.017 0.000 1.005 354 S CB -0.084 63.105 63.200 -0.020 0.000 0.867 354 S HN 0.099 nan 8.310 nan 0.000 0.449 355 V N 1.978 121.884 119.914 -0.014 0.000 2.343 355 V HA -0.131 3.988 4.120 -0.001 0.000 0.247 355 V C 2.210 178.303 176.094 -0.003 0.000 1.051 355 V CA 1.794 64.089 62.300 -0.008 0.000 1.036 355 V CB -0.585 31.232 31.823 -0.010 0.000 0.654 355 V HN 0.503 nan 8.190 nan 0.000 0.451 356 I N -0.325 120.242 120.570 -0.005 0.000 2.252 356 I HA -0.250 3.919 4.170 -0.001 0.000 0.245 356 I C 2.572 178.690 176.117 0.002 0.000 1.102 356 I CA 1.689 62.990 61.300 0.002 0.000 1.385 356 I CB -0.424 37.574 38.000 -0.003 0.000 1.064 356 I HN 0.263 nan 8.210 nan 0.000 0.414 357 K N 0.908 121.305 120.400 -0.004 0.000 2.009 357 K HA -0.191 4.128 4.320 -0.001 0.000 0.210 357 K C 2.244 178.844 176.600 -0.001 0.000 1.049 357 K CA 1.959 58.243 56.287 -0.004 0.000 0.929 357 K CB -0.056 32.439 32.500 -0.007 0.000 0.714 357 K HN 0.114 nan 8.250 nan 0.000 0.440 358 S N 0.897 116.596 115.700 -0.002 0.000 2.442 358 S HA -0.119 4.351 4.470 -0.001 0.000 0.236 358 S C 1.382 175.984 174.600 0.002 0.000 1.007 358 S CA 1.243 59.442 58.200 -0.001 0.000 0.965 358 S CB -0.290 62.909 63.200 -0.002 0.000 0.773 358 S HN 0.375 nan 8.310 nan 0.000 0.504 359 N N 0.315 119.018 118.700 0.005 0.000 2.398 359 N HA 0.112 4.852 4.740 -0.001 0.000 0.188 359 N C 0.929 176.444 175.510 0.009 0.000 1.122 359 N CA 0.714 53.769 53.050 0.009 0.000 0.866 359 N CB 0.129 38.626 38.487 0.015 0.000 0.970 359 N HN 0.378 nan 8.380 nan 0.000 0.462 360 G N -1.620 107.184 108.800 0.007 0.000 2.144 360 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.218 360 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.218 360 G C 0.791 175.696 174.900 0.009 0.000 0.988 360 G CA 0.059 45.163 45.100 0.006 0.000 0.659 360 G HN 0.956 nan 8.290 nan 0.000 0.522 361 G N -1.503 107.302 108.800 0.010 0.000 2.176 361 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.232 361 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.232 361 G C -0.132 174.779 174.900 0.019 0.000 0.986 361 G CA 0.816 45.922 45.100 0.010 0.000 0.643 361 G HN 1.094 nan 8.290 nan 0.000 0.522 362 E N -0.609 119.608 120.200 0.028 0.000 2.288 362 E HA 0.574 4.924 4.350 -0.001 0.000 0.268 362 E C -0.885 175.755 176.600 0.068 0.000 0.885 362 E CA -1.067 55.362 56.400 0.047 0.000 0.767 362 E CB 2.400 32.127 29.700 0.045 0.000 1.220 362 E HN 0.216 nan 8.360 nan 0.000 0.427 363 L N 2.294 123.584 121.223 0.112 0.000 2.313 363 L HA 0.272 4.612 4.340 -0.001 0.000 0.282 363 L C -0.094 176.938 176.870 0.271 0.000 1.092 363 L CA 0.359 55.302 54.840 0.172 0.000 0.831 363 L CB 0.528 42.683 42.059 0.161 0.000 1.159 363 L HN 0.625 nan 8.230 nan 0.000 0.442 364 T N 1.561 116.235 114.554 0.199 0.000 2.907 364 T HA 0.350 4.700 4.350 -0.001 0.000 0.290 364 T C 1.194 176.000 174.700 0.176 0.000 1.066 364 T CA -0.941 61.223 62.100 0.108 0.000 1.012 364 T CB 1.100 69.970 68.868 0.004 0.000 1.184 364 T HN 0.461 nan 8.240 nan 0.000 0.522 365 M N 0.952 120.590 119.600 0.064 0.000 2.106 365 M HA -0.009 4.471 4.480 -0.001 0.000 0.259 365 M C 2.546 178.889 176.300 0.071 0.000 1.068 365 M CA 2.265 57.632 55.300 0.113 0.000 1.100 365 M CB -1.952 30.667 32.600 0.031 0.000 1.351 365 M HN 0.984 nan 8.290 nan 0.000 0.404 366 G N -0.212 108.609 108.800 0.035 0.000 2.422 366 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.218 366 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.218 366 G C 1.684 176.603 174.900 0.032 0.000 1.146 366 G CA 1.228 46.344 45.100 0.027 0.000 0.769 366 G HN 0.557 nan 8.290 nan 0.000 0.547 367 A N 0.866 123.711 122.820 0.042 0.000 1.873 367 A HA 0.071 4.391 4.320 -0.001 0.000 0.215 367 A C 2.382 179.981 177.584 0.026 0.000 1.186 367 A CA 1.200 53.257 52.037 0.034 0.000 0.616 367 A CB -0.358 18.668 19.000 0.044 0.000 0.823 367 A HN 0.362 nan 8.150 nan 0.000 0.442 368 I N -0.126 120.467 120.570 0.039 0.000 2.264 368 I HA -0.239 3.930 4.170 -0.001 0.000 0.248 368 I C 2.172 178.290 176.117 0.002 0.000 1.111 368 I CA 1.289 62.594 61.300 0.007 0.000 1.382 368 I CB -0.364 37.644 38.000 0.013 0.000 1.060 368 I HN 0.290 nan 8.210 nan 0.000 0.418 369 E N 1.055 121.267 120.200 0.020 0.000 2.338 369 E HA -0.157 4.192 4.350 -0.001 0.000 0.197 369 E C 1.843 178.455 176.600 0.020 0.000 1.007 369 E CA 0.884 57.298 56.400 0.023 0.000 0.849 369 E CB -0.106 29.613 29.700 0.032 0.000 0.774 369 E HN 0.550 nan 8.360 nan 0.000 0.506 370 K N -0.180 120.228 120.400 0.013 0.000 2.400 370 K HA 0.165 4.485 4.320 -0.001 0.000 0.194 370 K C 0.768 177.369 176.600 0.001 0.000 1.033 370 K CA 0.091 56.384 56.287 0.010 0.000 1.021 370 K CB 0.151 32.655 32.500 0.007 0.000 0.808 370 K HN 0.065 nan 8.250 nan 0.000 0.505 371 M N 1.776 121.371 119.600 -0.007 0.000 2.974 371 M HA 0.066 4.546 4.480 -0.001 0.000 0.301 371 M C 0.424 176.714 176.300 -0.016 0.000 1.409 371 M CA 0.157 55.444 55.300 -0.021 0.000 1.515 371 M CB 0.240 32.818 32.600 -0.037 0.000 1.163 371 M HN 0.077 nan 8.290 nan 0.000 0.520 372 E N 1.012 121.211 120.200 -0.002 0.000 2.051 372 E HA -0.218 4.131 4.350 -0.001 0.000 0.192 372 E C 1.741 178.351 176.600 0.017 0.000 0.991 372 E CA 1.144 57.555 56.400 0.019 0.000 0.799 372 E CB 0.087 29.800 29.700 0.022 0.000 0.748 372 E HN 0.558 nan 8.360 nan 0.000 0.449 373 L N 0.943 122.160 121.223 -0.010 0.000 2.056 373 L HA -0.131 4.209 4.340 -0.001 0.000 0.207 373 L C 2.215 179.069 176.870 -0.027 0.000 1.078 373 L CA 1.829 56.657 54.840 -0.020 0.000 0.749 373 L CB -0.643 41.386 42.059 -0.051 0.000 0.901 373 L HN 0.047 nan 8.230 nan 0.000 0.433 374 T N -0.385 114.141 114.554 -0.048 0.000 2.684 374 T HA -0.212 4.138 4.350 -0.001 0.000 0.267 374 T C 1.891 176.542 174.700 -0.080 0.000 1.036 374 T CA 1.759 63.823 62.100 -0.060 0.000 1.148 374 T CB -0.154 68.671 68.868 -0.070 0.000 0.863 374 T HN 0.348 nan 8.240 nan 0.000 0.436 375 K N 0.848 121.199 120.400 -0.083 0.000 2.057 375 K HA -0.044 4.276 4.320 -0.001 0.000 0.207 375 K C 2.797 179.326 176.600 -0.118 0.000 1.049 375 K CA 1.285 57.469 56.287 -0.171 0.000 0.931 375 K CB -0.334 32.116 32.500 -0.083 0.000 0.714 375 K HN 0.181 nan 8.250 nan 0.000 0.440 376 S N 0.849 116.598 115.700 0.082 0.000 2.356 376 S HA -0.129 4.341 4.470 -0.001 0.000 0.223 376 S C 1.997 176.702 174.600 0.175 0.000 1.032 376 S CA 1.312 59.660 58.200 0.246 0.000 1.005 376 S CB -0.231 63.085 63.200 0.192 0.000 0.867 376 S HN 0.224 nan 8.310 nan 0.000 0.449 377 V N 1.289 121.237 119.914 0.057 0.000 2.515 377 V HA -0.060 4.060 4.120 -0.001 0.000 0.250 377 V C 2.190 178.344 176.094 0.099 0.000 1.058 377 V CA 1.939 64.274 62.300 0.058 0.000 1.064 377 V CB -0.379 31.499 31.823 0.092 0.000 0.675 377 V HN 0.450 nan 8.190 nan 0.000 0.461 378 V N -0.370 119.541 119.914 -0.004 0.000 2.295 378 V HA -0.240 3.880 4.120 -0.001 0.000 0.246 378 V C 2.299 178.372 176.094 -0.034 0.000 1.049 378 V CA 2.463 64.722 62.300 -0.068 0.000 1.024 378 V CB -0.909 30.778 31.823 -0.227 0.000 0.648 378 V HN 0.631 nan 8.190 nan 0.000 0.447 379 Y N 0.512 120.787 120.300 -0.041 0.000 2.224 379 Y HA -0.192 4.357 4.550 -0.001 0.000 0.289 379 Y C 2.541 178.428 175.900 -0.023 0.000 1.146 379 Y CA 1.637 59.631 58.100 -0.177 0.000 1.182 379 Y CB -0.573 37.560 38.460 -0.545 0.000 0.983 379 Y HN 0.330 nan 8.280 nan 0.000 0.524 380 E N -0.598 119.775 120.200 0.288 0.000 2.152 380 E HA -0.128 4.222 4.350 -0.001 0.000 0.192 380 E C 2.147 178.904 176.600 0.262 0.000 0.983 380 E CA 1.273 57.793 56.400 0.201 0.000 0.818 380 E CB -0.521 29.028 29.700 -0.252 0.000 0.758 380 E HN 0.389 nan 8.360 nan 0.000 0.467 381 C N 0.005 119.527 119.300 0.371 0.000 2.429 381 C HA -0.053 4.407 4.460 -0.001 0.000 0.277 381 C C 2.581 177.752 174.990 0.302 0.000 1.262 381 C CA 0.667 59.963 59.018 0.464 0.000 1.733 381 C CB -1.076 26.854 27.740 0.317 0.000 2.010 381 C HN 0.447 nan 8.230 nan 0.000 0.483 382 L N 0.170 121.506 121.223 0.188 0.000 2.156 382 L HA -0.100 4.239 4.340 -0.001 0.000 0.208 382 L C 2.880 179.878 176.870 0.213 0.000 1.095 382 L CA 1.227 56.149 54.840 0.136 0.000 0.770 382 L CB -0.653 41.420 42.059 0.023 0.000 0.914 382 L HN 0.351 nan 8.230 nan 0.000 0.439 383 R N -0.233 120.400 120.500 0.221 0.000 2.062 383 R HA -0.190 4.150 4.340 -0.001 0.000 0.229 383 R C 2.388 178.783 176.300 0.158 0.000 1.128 383 R CA 1.597 57.799 56.100 0.169 0.000 0.960 383 R CB -0.295 30.093 30.300 0.146 0.000 0.855 383 R HN 0.209 nan 8.270 nan 0.000 0.432 384 F N 1.190 121.196 119.950 0.094 0.000 2.163 384 F HA 0.023 4.550 4.527 -0.001 0.000 0.297 384 F C 0.095 175.955 175.800 0.100 0.000 1.094 384 F CA 1.194 59.261 58.000 0.111 0.000 1.290 384 F CB 0.402 39.568 39.000 0.277 0.000 1.017 384 F HN -0.018 nan 8.300 nan 0.000 0.483 385 E N 0.930 121.221 120.200 0.151 0.000 2.914 385 E HA 0.225 4.575 4.350 -0.001 0.000 0.246 385 E C -2.496 174.150 176.600 0.077 0.000 1.146 385 E CA -2.268 54.150 56.400 0.031 0.000 0.803 385 E CB 0.858 30.609 29.700 0.084 0.000 1.409 385 E HN -0.006 nan 8.360 nan 0.000 0.392 386 P HA -0.032 nan 4.420 nan 0.000 0.261 386 P C -2.014 175.349 177.300 0.105 0.000 1.183 386 P CA -0.866 62.300 63.100 0.111 0.000 0.761 386 P CB 0.356 32.091 31.700 0.058 0.000 0.785 387 P HA -0.079 nan 4.420 nan 0.000 0.217 387 P C -0.004 177.379 177.300 0.139 0.000 1.151 387 P CA 1.139 64.312 63.100 0.123 0.000 0.828 387 P CB 0.273 32.039 31.700 0.111 0.000 0.788 388 V N 0.920 120.946 119.914 0.186 0.000 2.334 388 V HA 0.140 4.260 4.120 -0.001 0.000 0.281 388 V C 1.366 177.551 176.094 0.151 0.000 1.016 388 V CA 0.117 62.526 62.300 0.181 0.000 0.832 388 V CB 0.764 32.722 31.823 0.225 0.000 0.999 388 V HN 0.130 nan 8.190 nan 0.000 0.439 389 T N 0.978 115.610 114.554 0.130 0.000 3.037 389 T HA 0.330 4.680 4.350 -0.001 0.000 0.251 389 T C 0.682 175.435 174.700 0.088 0.000 1.079 389 T CA 0.543 62.663 62.100 0.033 0.000 1.067 389 T CB 0.456 69.307 68.868 -0.028 0.000 0.948 389 T HN 0.696 nan 8.240 nan 0.000 0.496 390 A N 1.324 124.269 122.820 0.207 0.000 2.273 390 A HA 0.753 5.073 4.320 -0.001 0.000 0.315 390 A C -0.739 176.940 177.584 0.158 0.000 1.256 390 A CA -0.721 51.463 52.037 0.245 0.000 0.851 390 A CB 0.913 20.243 19.000 0.550 0.000 1.172 390 A HN 0.318 nan 8.150 nan 0.000 0.508 391 Q N 0.880 120.624 119.800 -0.093 0.000 2.337 391 Q HA 0.643 4.983 4.340 -0.001 0.000 0.266 391 Q C -1.633 174.220 176.000 -0.244 0.000 1.023 391 Q CA -0.051 55.730 55.803 -0.036 0.000 0.829 391 Q CB 2.047 30.779 28.738 -0.009 0.000 1.306 391 Q HN 0.730 nan 8.270 nan 0.000 0.449 392 Y N -0.316 119.974 120.300 -0.017 0.000 2.524 392 Y HA 0.891 5.440 4.550 -0.001 0.000 0.344 392 Y C 0.514 176.392 175.900 -0.037 0.000 1.012 392 Y CA -1.017 57.085 58.100 0.005 0.000 1.068 392 Y CB 2.719 41.230 38.460 0.085 0.000 1.249 392 Y HN 0.657 nan 8.280 nan 0.000 0.468 393 G N 1.588 110.454 108.800 0.110 0.000 2.766 393 G HA2 0.472 4.432 3.960 -0.001 0.000 0.297 393 G HA3 0.472 4.432 3.960 -0.001 0.000 0.297 393 G C -2.204 172.720 174.900 0.040 0.000 1.431 393 G CA -1.024 44.102 45.100 0.045 0.000 1.042 393 G HN 0.537 nan 8.290 nan 0.000 0.542 394 R N 1.731 122.253 120.500 0.035 0.000 2.265 394 R HA 0.625 4.965 4.340 -0.001 0.000 0.319 394 R C 0.560 176.863 176.300 0.005 0.000 1.006 394 R CA -0.459 55.656 56.100 0.025 0.000 0.880 394 R CB 1.071 31.386 30.300 0.024 0.000 1.077 394 R HN 0.727 nan 8.270 nan 0.000 0.454 395 A N 4.249 127.069 122.820 0.000 0.000 2.548 395 A HA 0.027 4.347 4.320 -0.001 0.000 0.247 395 A C 0.447 178.030 177.584 -0.002 0.000 1.067 395 A CA 0.324 52.358 52.037 -0.005 0.000 0.757 395 A CB 0.284 19.282 19.000 -0.004 0.000 0.996 395 A HN 0.948 nan 8.150 nan 0.000 0.504 396 K N 0.985 121.383 120.400 -0.004 0.000 2.361 396 K HA 0.027 4.346 4.320 -0.001 0.000 0.196 396 K C 0.438 177.038 176.600 -0.001 0.000 1.039 396 K CA 1.155 57.441 56.287 -0.003 0.000 1.001 396 K CB 0.055 32.552 32.500 -0.004 0.000 0.795 396 K HN 0.880 nan 8.250 nan 0.000 0.495 397 K N -0.179 120.220 120.400 -0.001 0.000 2.578 397 K HA 0.223 4.543 4.320 -0.001 0.000 0.287 397 K C -1.806 174.795 176.600 0.002 0.000 1.010 397 K CA -0.955 55.332 56.287 0.001 0.000 0.889 397 K CB 0.834 33.334 32.500 0.000 0.000 1.514 397 K HN -0.332 nan 8.250 nan 0.000 0.424 398 D N 1.223 121.625 120.400 0.005 0.000 2.458 398 D HA 0.257 4.897 4.640 -0.001 0.000 0.243 398 D C -0.364 175.940 176.300 0.006 0.000 1.146 398 D CA 0.295 54.300 54.000 0.007 0.000 0.877 398 D CB 0.410 41.215 40.800 0.009 0.000 1.176 398 D HN 0.352 nan 8.370 nan 0.000 0.461 399 L N 1.054 122.282 121.223 0.009 0.000 2.333 399 L HA 0.582 4.921 4.340 -0.001 0.000 0.263 399 L C -0.539 176.342 176.870 0.018 0.000 1.014 399 L CA -1.261 53.584 54.840 0.008 0.000 0.820 399 L CB 2.038 44.098 42.059 0.001 0.000 1.352 399 L HN -0.018 nan 8.230 nan 0.000 0.421 400 V N 2.893 122.816 119.914 0.014 0.000 2.378 400 V HA 0.436 4.556 4.120 -0.001 0.000 0.288 400 V C -0.121 175.989 176.094 0.025 0.000 1.016 400 V CA -0.258 62.055 62.300 0.021 0.000 0.840 400 V CB 1.665 33.489 31.823 0.002 0.000 0.994 400 V HN 0.456 nan 8.190 nan 0.000 0.431 401 I N 4.367 124.975 120.570 0.063 0.000 2.336 401 I HA 0.405 4.575 4.170 -0.001 0.000 0.292 401 I C 0.272 176.454 176.117 0.109 0.000 0.991 401 I CA -0.368 60.972 61.300 0.067 0.000 1.227 401 I CB 1.468 39.502 38.000 0.058 0.000 1.366 401 I HN 0.577 nan 8.210 nan 0.000 0.466 402 E N 4.568 124.795 120.200 0.045 0.000 2.174 402 E HA 0.312 4.662 4.350 -0.001 0.000 0.282 402 E C -0.553 176.064 176.600 0.028 0.000 0.992 402 E CA -0.243 56.173 56.400 0.027 0.000 0.803 402 E CB 2.036 31.727 29.700 -0.015 0.000 1.090 402 E HN 0.553 nan 8.360 nan 0.000 0.396 403 S N 1.332 117.083 115.700 0.086 0.000 2.677 403 S HA 0.154 4.624 4.470 -0.001 0.000 0.290 403 S C 1.060 175.628 174.600 -0.053 0.000 1.124 403 S CA -0.503 57.714 58.200 0.029 0.000 1.017 403 S CB 0.546 63.891 63.200 0.242 0.000 1.215 403 S HN 0.600 nan 8.310 nan 0.000 0.524 404 H N 0.463 119.581 119.070 0.080 0.000 2.457 404 H HA 0.069 4.625 4.556 -0.001 0.000 0.294 404 H C 0.494 175.844 175.328 0.036 0.000 1.064 404 H CA 1.326 57.401 56.048 0.044 0.000 1.330 404 H CB 0.177 29.960 29.762 0.036 0.000 1.395 404 H HN 0.539 nan 8.280 nan 0.000 0.541 405 D N -0.747 119.750 120.400 0.161 0.000 2.498 405 D HA 0.358 4.997 4.640 -0.001 0.000 0.223 405 D C 0.388 176.695 176.300 0.011 0.000 1.125 405 D CA 0.228 54.282 54.000 0.089 0.000 0.835 405 D CB 1.323 42.186 40.800 0.105 0.000 1.086 405 D HN 0.205 nan 8.370 nan 0.000 0.510 406 A N 0.288 123.087 122.820 -0.035 0.000 2.602 406 A HA 0.770 5.089 4.320 -0.001 0.000 0.290 406 A C -1.534 175.818 177.584 -0.386 0.000 1.114 406 A CA -0.438 51.438 52.037 -0.268 0.000 0.683 406 A CB 1.555 20.284 19.000 -0.452 0.000 1.281 406 A HN 0.013 nan 8.150 nan 0.000 0.416 407 A N -0.114 122.379 122.820 -0.544 0.000 2.356 407 A HA 0.908 5.227 4.320 -0.001 0.000 0.323 407 A C -1.382 175.795 177.584 -0.679 0.000 1.119 407 A CA -0.386 51.400 52.037 -0.418 0.000 0.790 407 A CB 0.603 19.489 19.000 -0.190 0.000 1.273 407 A HN 0.964 nan 8.150 nan 0.000 0.452 408 F N 0.676 120.614 119.950 -0.019 0.000 2.547 408 F HA 0.405 4.932 4.527 -0.000 0.000 0.316 408 F C 0.272 176.060 175.800 -0.020 0.000 1.121 408 F CA -0.506 57.483 58.000 -0.019 0.000 0.911 408 F CB 2.396 41.383 39.000 -0.023 0.000 1.179 408 F HN 0.445 nan 8.300 nan 0.000 0.443 409 K N 2.616 123.103 120.400 0.145 0.000 2.297 409 K HA 0.574 4.894 4.320 -0.001 0.000 0.286 409 K C -0.897 175.754 176.600 0.084 0.000 1.053 409 K CA -0.414 55.922 56.287 0.082 0.000 0.940 409 K CB 1.491 34.019 32.500 0.047 0.000 1.019 409 K HN 0.352 nan 8.250 nan 0.000 0.475 410 V N 3.977 123.925 119.914 0.057 0.000 2.555 410 V HA 0.251 4.371 4.120 -0.001 0.000 0.302 410 V C -0.175 175.935 176.094 0.027 0.000 1.038 410 V CA -0.936 61.388 62.300 0.039 0.000 0.887 410 V CB 1.836 33.673 31.823 0.024 0.000 0.991 410 V HN 0.659 nan 8.190 nan 0.000 0.434 411 K N 2.462 122.878 120.400 0.026 0.000 2.118 411 K HA 0.688 5.008 4.320 -0.001 0.000 0.267 411 K C 0.151 176.759 176.600 0.014 0.000 0.991 411 K CA -0.405 55.894 56.287 0.020 0.000 0.916 411 K CB 1.705 34.219 32.500 0.023 0.000 1.041 411 K HN 0.839 nan 8.250 nan 0.000 0.455 412 A N 0.956 123.782 122.820 0.010 0.000 2.567 412 A HA 0.294 4.614 4.320 -0.001 0.000 0.240 412 A C 1.190 178.778 177.584 0.007 0.000 1.053 412 A CA 1.245 53.286 52.037 0.006 0.000 0.755 412 A CB -0.718 18.285 19.000 0.004 0.000 0.978 412 A HN 0.965 nan 8.150 nan 0.000 0.507 413 G N 1.430 110.233 108.800 0.005 0.000 2.213 413 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.236 413 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.236 413 G C 0.097 175.001 174.900 0.007 0.000 0.991 413 G CA 0.340 45.443 45.100 0.004 0.000 0.629 413 G HN 0.882 nan 8.290 nan 0.000 0.517 414 E N 0.228 120.435 120.200 0.012 0.000 2.373 414 E HA 0.430 4.780 4.350 -0.001 0.000 0.267 414 E C 0.270 176.885 176.600 0.024 0.000 1.032 414 E CA -0.322 56.089 56.400 0.019 0.000 0.889 414 E CB 0.775 30.492 29.700 0.029 0.000 0.984 414 E HN 0.255 nan 8.360 nan 0.000 0.425 415 M N 4.039 123.661 119.600 0.037 0.000 2.120 415 M HA 0.207 4.687 4.480 -0.001 0.000 0.354 415 M C -1.394 174.953 176.300 0.078 0.000 1.287 415 M CA 0.076 55.420 55.300 0.074 0.000 1.103 415 M CB 0.181 32.843 32.600 0.103 0.000 1.623 415 M HN 0.363 nan 8.290 nan 0.000 0.471 416 L N 5.513 126.766 121.223 0.050 0.000 2.343 416 L HA 0.526 4.865 4.340 -0.001 0.000 0.275 416 L C -1.156 175.697 176.870 -0.028 0.000 1.056 416 L CA -0.884 53.943 54.840 -0.022 0.000 0.804 416 L CB 1.189 43.183 42.059 -0.108 0.000 1.203 416 L HN 0.679 nan 8.230 nan 0.000 0.440 417 Y N 0.879 121.004 120.300 -0.291 0.000 2.470 417 Y HA 0.687 5.237 4.550 -0.000 0.000 0.341 417 Y C -0.421 175.197 175.900 -0.470 0.000 1.021 417 Y CA -0.799 57.001 58.100 -0.500 0.000 1.025 417 Y CB 2.187 40.366 38.460 -0.467 0.000 1.266 417 Y HN 0.504 nan 8.280 nan 0.000 0.448 418 G N 3.935 111.853 108.800 -1.470 0.000 2.590 418 G HA2 0.366 4.326 3.960 -0.001 0.000 0.310 418 G HA3 0.366 4.326 3.960 -0.001 0.000 0.310 418 G C -2.510 171.771 174.900 -1.032 0.000 1.347 418 G CA -0.708 43.739 45.100 -1.088 0.000 0.963 418 G HN 0.631 nan 8.290 nan 0.000 0.494 419 Y N 2.160 122.003 120.300 -0.760 0.000 2.518 419 Y HA 0.234 4.783 4.550 -0.001 0.000 0.344 419 Y C 1.645 177.471 175.900 -0.124 0.000 0.982 419 Y CA -0.470 57.375 58.100 -0.426 0.000 1.234 419 Y CB 1.323 39.407 38.460 -0.626 0.000 1.114 419 Y HN 0.706 nan 8.280 nan 0.000 0.515 420 Q N 5.428 125.045 119.800 -0.304 0.000 2.112 420 Q HA -0.154 4.185 4.340 -0.001 0.000 0.206 420 Q C -0.894 174.827 176.000 -0.465 0.000 0.987 420 Q CA 1.965 57.502 55.803 -0.442 0.000 0.858 420 Q CB -0.502 28.078 28.738 -0.264 0.000 0.905 420 Q HN 0.557 nan 8.270 nan 0.000 0.420 421 P HA -0.153 nan 4.420 nan 0.000 0.219 421 P C 0.765 177.967 177.300 -0.162 0.000 1.146 421 P CA 1.133 64.022 63.100 -0.353 0.000 0.808 421 P CB -0.043 31.411 31.700 -0.410 0.000 0.779 422 L N -1.775 119.399 121.223 -0.083 0.000 2.313 422 L HA -0.014 4.325 4.340 -0.001 0.000 0.214 422 L C 2.331 179.207 176.870 0.011 0.000 1.119 422 L CA 0.945 55.819 54.840 0.056 0.000 0.809 422 L CB -0.794 41.373 42.059 0.180 0.000 0.933 422 L HN -0.039 nan 8.230 nan 0.000 0.449 423 A N 0.016 122.764 122.820 -0.119 0.000 1.930 423 A HA -0.131 4.189 4.320 -0.001 0.000 0.215 423 A C 2.383 179.958 177.584 -0.015 0.000 1.176 423 A CA 1.732 53.686 52.037 -0.138 0.000 0.632 423 A CB -0.623 18.058 19.000 -0.531 0.000 0.819 423 A HN 0.439 nan 8.150 nan 0.000 0.445 424 T N -3.397 111.132 114.554 -0.042 0.000 3.067 424 T HA 0.114 4.463 4.350 -0.001 0.000 0.257 424 T C 1.302 176.068 174.700 0.110 0.000 1.105 424 T CA 0.439 62.601 62.100 0.103 0.000 1.104 424 T CB -0.131 68.746 68.868 0.016 0.000 0.925 424 T HN 0.379 nan 8.240 nan 0.000 0.498 425 R N 1.497 122.041 120.500 0.072 0.000 2.694 425 R HA 0.230 4.570 4.340 -0.001 0.000 0.334 425 R C -0.504 175.891 176.300 0.159 0.000 1.143 425 R CA -0.357 55.797 56.100 0.090 0.000 1.073 425 R CB 0.138 30.447 30.300 0.015 0.000 1.366 425 R HN 0.299 nan 8.270 nan 0.000 0.577 426 D N 2.289 122.821 120.400 0.220 0.000 2.346 426 D HA 0.029 4.669 4.640 -0.001 0.000 0.260 426 D C -1.316 175.067 176.300 0.138 0.000 1.252 426 D CA -2.130 51.968 54.000 0.163 0.000 0.895 426 D CB 1.440 42.337 40.800 0.162 0.000 1.097 426 D HN 0.041 nan 8.370 nan 0.000 0.489 427 P HA -0.076 nan 4.420 nan 0.000 0.230 427 P C 0.636 177.905 177.300 -0.051 0.000 1.158 427 P CA 0.669 63.794 63.100 0.041 0.000 0.769 427 P CB 0.347 32.066 31.700 0.033 0.000 0.807 428 K N -0.754 119.552 120.400 -0.157 0.000 2.459 428 K HA 0.155 4.474 4.320 -0.001 0.000 0.193 428 K C 1.755 178.196 176.600 -0.265 0.000 1.030 428 K CA 0.513 56.612 56.287 -0.314 0.000 1.026 428 K CB 0.083 32.115 32.500 -0.779 0.000 0.809 428 K HN 0.268 nan 8.250 nan 0.000 0.504 429 I N -0.852 119.582 120.570 -0.227 0.000 3.565 429 I HA 0.052 4.221 4.170 -0.001 0.000 0.287 429 I C -0.021 175.781 176.117 -0.524 0.000 1.193 429 I CA 0.125 61.159 61.300 -0.443 0.000 1.402 429 I CB 0.492 38.101 38.000 -0.652 0.000 1.284 429 I HN -0.134 nan 8.210 nan 0.000 0.454 430 F N 1.408 121.316 119.950 -0.070 0.000 2.444 430 F HA 0.304 4.830 4.527 -0.000 0.000 0.342 430 F C 0.166 175.939 175.800 -0.045 0.000 1.121 430 F CA -1.142 56.828 58.000 -0.049 0.000 0.997 430 F CB 0.744 39.733 39.000 -0.017 0.000 1.130 430 F HN -0.163 nan 8.300 nan 0.000 0.454 431 D N 2.296 122.771 120.400 0.126 0.000 2.443 431 D HA 0.138 4.778 4.640 -0.001 0.000 0.239 431 D C 0.232 176.577 176.300 0.075 0.000 1.136 431 D CA 0.339 54.377 54.000 0.065 0.000 0.879 431 D CB 0.502 41.316 40.800 0.023 0.000 1.195 431 D HN 0.593 nan 8.370 nan 0.000 0.443 432 R N 1.812 122.343 120.500 0.052 0.000 3.251 432 R HA -0.230 4.109 4.340 -0.001 0.000 0.249 432 R C 0.957 177.300 176.300 0.072 0.000 0.949 432 R CA 0.416 56.543 56.100 0.046 0.000 0.645 432 R CB -1.804 28.503 30.300 0.012 0.000 1.065 432 R HN 0.458 nan 8.270 nan 0.000 0.452 433 A N 0.179 123.064 122.820 0.109 0.000 2.019 433 A HA -0.158 4.162 4.320 -0.001 0.000 0.219 433 A C 1.424 179.104 177.584 0.159 0.000 1.164 433 A CA 1.493 53.612 52.037 0.136 0.000 0.644 433 A CB 0.047 19.154 19.000 0.178 0.000 0.805 433 A HN 0.370 nan 8.150 nan 0.000 0.449 434 D N 0.225 120.730 120.400 0.175 0.000 2.325 434 D HA 0.117 4.757 4.640 -0.001 0.000 0.225 434 D C -0.094 176.435 176.300 0.383 0.000 1.096 434 D CA 0.207 54.370 54.000 0.272 0.000 0.844 434 D CB 0.178 41.084 40.800 0.178 0.000 0.925 434 D HN 0.606 nan 8.370 nan 0.000 0.513 435 E N 0.029 120.365 120.200 0.227 0.000 2.191 435 E HA 0.233 4.583 4.350 -0.001 0.000 0.274 435 E C -0.721 175.805 176.600 -0.123 0.000 0.948 435 E CA -0.895 55.547 56.400 0.070 0.000 0.802 435 E CB 1.931 31.640 29.700 0.015 0.000 1.137 435 E HN -0.079 nan 8.360 nan 0.000 0.397 436 F N 3.084 122.691 119.950 -0.571 0.000 2.438 436 F HA 0.196 4.723 4.527 -0.000 0.000 0.360 436 F C -0.759 174.865 175.800 -0.293 0.000 1.118 436 F CA -0.402 57.207 58.000 -0.651 0.000 1.164 436 F CB 0.455 38.948 39.000 -0.846 0.000 1.131 436 F HN 0.085 nan 8.300 nan 0.000 0.527 437 V N 9.965 129.530 119.914 -0.581 0.000 2.284 437 V HA 0.193 4.313 4.120 -0.001 0.000 0.274 437 V C -1.715 174.092 176.094 -0.479 0.000 1.023 437 V CA -1.343 60.730 62.300 -0.378 0.000 0.808 437 V CB 1.208 32.878 31.823 -0.254 0.000 1.035 437 V HN 0.623 nan 8.190 nan 0.000 0.445 438 P HA -0.195 nan 4.420 nan 0.000 0.216 438 P C 1.288 178.492 177.300 -0.159 0.000 1.150 438 P CA 1.145 64.075 63.100 -0.283 0.000 0.843 438 P CB 0.279 31.929 31.700 -0.082 0.000 0.787 439 E N -0.292 119.828 120.200 -0.133 0.000 2.445 439 E HA -0.067 4.283 4.350 -0.001 0.000 0.189 439 E C 1.741 178.279 176.600 -0.104 0.000 1.069 439 E CA 0.050 56.404 56.400 -0.078 0.000 0.871 439 E CB -0.624 29.037 29.700 -0.064 0.000 0.991 439 E HN 0.202 nan 8.360 nan 0.000 0.481 440 R N 0.255 120.631 120.500 -0.206 0.000 2.117 440 R HA -0.117 4.222 4.340 -0.001 0.000 0.243 440 R C 0.670 176.691 176.300 -0.465 0.000 1.143 440 R CA 1.589 57.447 56.100 -0.403 0.000 0.968 440 R CB -0.152 29.750 30.300 -0.663 0.000 0.863 440 R HN 0.146 nan 8.270 nan 0.000 0.444 441 F N -0.162 119.809 119.950 0.036 0.000 2.664 441 F HA 0.215 4.741 4.527 -0.001 0.000 0.303 441 F C 0.105 175.949 175.800 0.074 0.000 1.092 441 F CA -0.459 57.587 58.000 0.078 0.000 1.305 441 F CB 0.641 39.723 39.000 0.135 0.000 1.054 441 F HN -0.263 nan 8.300 nan 0.000 0.565 442 V N 1.084 121.083 119.914 0.141 0.000 2.572 442 V HA 0.532 4.652 4.120 -0.001 0.000 0.291 442 V C 0.806 176.943 176.094 0.072 0.000 1.039 442 V CA 0.150 62.509 62.300 0.098 0.000 1.055 442 V CB 0.132 31.982 31.823 0.045 0.000 0.969 442 V HN 0.568 nan 8.190 nan 0.000 0.482 443 G N 4.480 113.324 108.800 0.074 0.000 2.757 443 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.638 443 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.638 443 G C 0.461 175.397 174.900 0.059 0.000 1.344 443 G CA 0.193 45.324 45.100 0.052 0.000 0.855 443 G HN 0.962 nan 8.290 nan 0.000 0.537 444 E N -0.725 119.500 120.200 0.042 0.000 2.085 444 E HA -0.135 4.214 4.350 -0.001 0.000 0.194 444 E C 1.795 178.421 176.600 0.043 0.000 0.994 444 E CA 1.778 58.202 56.400 0.040 0.000 0.801 444 E CB -0.104 29.613 29.700 0.027 0.000 0.743 444 E HN 0.443 nan 8.360 nan 0.000 0.453 445 E N 0.875 121.096 120.200 0.035 0.000 2.047 445 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 445 E C 2.321 178.949 176.600 0.047 0.000 0.987 445 E CA 1.267 57.686 56.400 0.030 0.000 0.799 445 E CB -0.713 28.995 29.700 0.013 0.000 0.752 445 E HN 0.477 nan 8.360 nan 0.000 0.449 446 G N 1.099 109.931 108.800 0.053 0.000 2.418 446 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.217 446 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.217 446 G C 1.534 176.568 174.900 0.224 0.000 1.158 446 G CA 0.756 45.903 45.100 0.078 0.000 0.771 446 G HN 0.276 nan 8.290 nan 0.000 0.545 447 E N -0.103 120.204 120.200 0.179 0.000 2.160 447 E HA -0.135 4.215 4.350 -0.001 0.000 0.195 447 E C 2.320 178.987 176.600 0.111 0.000 0.991 447 E CA 1.086 57.578 56.400 0.154 0.000 0.810 447 E CB -0.002 29.756 29.700 0.097 0.000 0.742 447 E HN 0.376 nan 8.360 nan 0.000 0.466 448 K N 0.726 121.183 120.400 0.095 0.000 2.209 448 K HA -0.102 4.218 4.320 -0.001 0.000 0.204 448 K C 1.536 178.186 176.600 0.083 0.000 1.048 448 K CA 0.898 57.221 56.287 0.060 0.000 0.940 448 K CB -0.029 32.499 32.500 0.047 0.000 0.729 448 K HN 0.109 nan 8.250 nan 0.000 0.451 449 L N 0.533 121.872 121.223 0.195 0.000 2.552 449 L HA 0.028 4.368 4.340 -0.001 0.000 0.227 449 L C 1.645 178.749 176.870 0.389 0.000 1.146 449 L CA 0.099 55.130 54.840 0.318 0.000 0.858 449 L CB -0.202 42.093 42.059 0.394 0.000 0.969 449 L HN 0.161 nan 8.230 nan 0.000 0.451 450 L N 0.345 121.677 121.223 0.181 0.000 2.265 450 L HA -0.187 4.152 4.340 -0.001 0.000 0.215 450 L C 2.758 179.562 176.870 -0.110 0.000 1.117 450 L CA 1.049 55.825 54.840 -0.107 0.000 0.782 450 L CB -0.454 41.396 42.059 -0.348 0.000 0.914 450 L HN 0.445 nan 8.230 nan 0.000 0.441 451 R N -1.083 119.326 120.500 -0.153 0.000 2.285 451 R HA -0.128 4.212 4.340 -0.001 0.000 0.213 451 R C 1.238 177.381 176.300 -0.262 0.000 1.068 451 R CA 1.073 57.023 56.100 -0.250 0.000 1.004 451 R CB -0.427 29.673 30.300 -0.333 0.000 0.873 451 R HN 0.448 nan 8.270 nan 0.000 0.467 452 H N 0.223 119.364 119.070 0.119 0.000 2.551 452 H HA 0.242 4.797 4.556 -0.001 0.000 0.271 452 H C -0.198 175.304 175.328 0.289 0.000 0.984 452 H CA -0.173 55.986 56.048 0.185 0.000 1.164 452 H CB 0.670 30.483 29.762 0.085 0.000 1.437 452 H HN -0.052 nan 8.280 nan 0.000 0.550 453 V N 2.808 122.879 119.914 0.261 0.000 2.385 453 V HA 0.076 4.196 4.120 -0.001 0.000 0.269 453 V C 1.037 177.182 176.094 0.085 0.000 1.043 453 V CA 0.059 62.463 62.300 0.173 0.000 0.906 453 V CB 1.349 33.177 31.823 0.008 0.000 0.995 453 V HN 0.277 nan 8.190 nan 0.000 0.467 454 L N 4.932 126.211 121.223 0.093 0.000 2.959 454 L HA 0.132 4.472 4.340 -0.001 0.000 0.259 454 L C 1.885 178.729 176.870 -0.043 0.000 1.185 454 L CA -0.132 54.714 54.840 0.010 0.000 0.998 454 L CB -0.046 42.065 42.059 0.087 0.000 1.337 454 L HN 0.868 nan 8.230 nan 0.000 0.555 455 W N 0.831 122.159 121.300 0.047 0.000 2.350 455 W HA -0.167 4.493 4.660 -0.001 0.000 0.289 455 W C 1.550 178.130 176.519 0.101 0.000 1.215 455 W CA 1.223 58.613 57.345 0.075 0.000 1.236 455 W CB -1.008 28.506 29.460 0.089 0.000 1.130 455 W HN 0.364 nan 8.180 nan 0.000 0.541 456 S N 0.883 115.801 115.700 -1.304 0.000 2.650 456 S HA -0.013 4.457 4.470 -0.001 0.000 0.219 456 S C 0.728 175.025 174.600 -0.506 0.000 0.960 456 S CA 0.495 57.886 58.200 -1.348 0.000 0.925 456 S CB -1.096 61.127 63.200 -1.629 0.000 0.775 456 S HN 0.383 nan 8.310 nan 0.000 0.525 457 N N 0.252 118.798 118.700 -0.257 0.000 2.758 457 N HA -0.090 4.650 4.740 -0.001 0.000 0.248 457 N C -0.111 175.035 175.510 -0.606 0.000 1.076 457 N CA 1.074 54.081 53.050 -0.073 0.000 0.696 457 N CB -1.337 37.209 38.487 0.098 0.000 0.979 457 N HN 0.963 nan 8.380 nan 0.000 0.550 458 G N -1.782 106.409 108.800 -1.014 0.000 2.451 458 G HA2 0.497 4.457 3.960 -0.001 0.000 0.292 458 G HA3 0.497 4.457 3.960 -0.001 0.000 0.292 458 G C -3.331 171.062 174.900 -0.844 0.000 1.427 458 G CA -0.747 43.469 45.100 -1.474 0.000 0.792 458 G HN 0.067 nan 8.290 nan 0.000 0.498 459 P HA 0.222 nan 4.420 nan 0.000 0.269 459 P C 0.386 177.548 177.300 -0.230 0.000 1.209 459 P CA -0.099 62.859 63.100 -0.237 0.000 0.776 459 P CB 1.286 32.907 31.700 -0.130 0.000 0.876 460 E N 1.434 121.532 120.200 -0.170 0.000 2.338 460 E HA -0.141 4.208 4.350 -0.001 0.000 0.197 460 E C 1.222 177.760 176.600 -0.103 0.000 1.007 460 E CA 1.682 58.005 56.400 -0.129 0.000 0.849 460 E CB -0.822 28.797 29.700 -0.135 0.000 0.774 460 E HN 0.496 nan 8.360 nan 0.000 0.506 461 T N -2.550 111.933 114.554 -0.118 0.000 3.113 461 T HA 0.084 4.433 4.350 -0.001 0.000 0.256 461 T C 0.633 175.292 174.700 -0.068 0.000 1.131 461 T CA 0.108 62.158 62.100 -0.084 0.000 1.074 461 T CB -0.004 68.811 68.868 -0.088 0.000 0.944 461 T HN 0.040 nan 8.240 nan 0.000 0.516 462 E N 0.746 120.890 120.200 -0.093 0.000 2.239 462 E HA 0.517 4.867 4.350 -0.001 0.000 0.261 462 E C -0.767 175.788 176.600 -0.075 0.000 1.016 462 E CA -0.723 55.627 56.400 -0.083 0.000 0.882 462 E CB 1.669 31.306 29.700 -0.105 0.000 1.190 462 E HN 0.103 nan 8.360 nan 0.000 0.415 463 T N 1.474 115.996 114.554 -0.054 0.000 2.841 463 T HA 0.378 4.728 4.350 -0.001 0.000 0.283 463 T C -2.637 172.052 174.700 -0.019 0.000 1.000 463 T CA -2.440 59.637 62.100 -0.038 0.000 0.977 463 T CB 1.234 70.077 68.868 -0.041 0.000 0.979 463 T HN 0.146 nan 8.240 nan 0.000 0.446 464 P HA 0.272 nan 4.420 nan 0.000 0.268 464 P C -0.468 176.939 177.300 0.178 0.000 1.205 464 P CA 0.017 63.190 63.100 0.123 0.000 0.771 464 P CB 0.616 32.460 31.700 0.239 0.000 0.858 465 T N -2.536 112.171 114.554 0.254 0.000 2.838 465 T HA 0.296 4.646 4.350 -0.001 0.000 0.292 465 T C 1.081 175.986 174.700 0.341 0.000 1.113 465 T CA -0.415 61.857 62.100 0.285 0.000 1.008 465 T CB 0.863 69.814 68.868 0.139 0.000 1.259 465 T HN 0.138 nan 8.240 nan 0.000 0.520 466 V N -1.188 118.915 119.914 0.314 0.000 3.078 466 V HA 0.266 4.385 4.120 -0.001 0.000 0.265 466 V C 1.949 178.209 176.094 0.276 0.000 1.122 466 V CA 1.755 64.178 62.300 0.206 0.000 1.141 466 V CB -1.367 30.542 31.823 0.142 0.000 0.735 466 V HN 1.070 nan 8.190 nan 0.000 0.498 467 G N 1.289 110.209 108.800 0.201 0.000 2.986 467 G HA2 0.143 4.103 3.960 -0.001 0.000 0.213 467 G HA3 0.143 4.103 3.960 -0.001 0.000 0.213 467 G C 0.442 175.401 174.900 0.098 0.000 1.156 467 G CA 0.387 45.566 45.100 0.131 0.000 0.763 467 G HN 0.771 nan 8.290 nan 0.000 0.547 468 N N -1.400 117.387 118.700 0.145 0.000 2.653 468 N HA 0.390 5.130 4.740 -0.001 0.000 0.294 468 N C 0.089 175.676 175.510 0.128 0.000 1.305 468 N CA -0.973 52.135 53.050 0.096 0.000 0.827 468 N CB 1.014 39.544 38.487 0.071 0.000 1.415 468 N HN -0.312 nan 8.380 nan 0.000 0.546 469 K N -0.590 119.862 120.400 0.087 0.000 2.514 469 K HA 0.142 4.461 4.320 -0.001 0.000 0.207 469 K C -0.259 176.395 176.600 0.090 0.000 1.035 469 K CA -0.153 56.200 56.287 0.109 0.000 1.113 469 K CB -0.025 32.525 32.500 0.082 0.000 0.846 469 K HN 0.671 nan 8.250 nan 0.000 0.491 470 Q N 0.630 120.458 119.800 0.046 0.000 2.373 470 Q HA 0.029 4.368 4.340 -0.001 0.000 0.255 470 Q C -0.323 175.691 176.000 0.024 0.000 0.980 470 Q CA -0.122 55.661 55.803 -0.034 0.000 0.882 470 Q CB 0.984 29.660 28.738 -0.102 0.000 1.249 470 Q HN 0.267 nan 8.270 nan 0.000 0.438 471 C N 3.680 122.965 119.300 -0.024 0.000 2.437 471 C HA 0.090 4.550 4.460 -0.001 0.000 0.399 471 C C 1.670 176.745 174.990 0.142 0.000 1.478 471 C CA 0.387 59.447 59.018 0.070 0.000 1.538 471 C CB -1.158 26.596 27.740 0.024 0.000 2.506 471 C HN 0.926 nan 8.230 nan 0.000 0.603 472 A N 4.595 127.509 122.820 0.156 0.000 2.019 472 A HA 0.085 4.405 4.320 -0.001 0.000 0.219 472 A C 1.962 179.733 177.584 0.313 0.000 1.164 472 A CA 1.776 53.941 52.037 0.213 0.000 0.644 472 A CB -0.608 18.372 19.000 -0.034 0.000 0.805 472 A HN 1.445 nan 8.150 nan 0.000 0.449 473 G N -1.000 107.977 108.800 0.294 0.000 3.523 473 G HA2 0.184 4.143 3.960 -0.001 0.000 0.270 473 G HA3 0.184 4.143 3.960 -0.001 0.000 0.270 473 G C 1.022 176.224 174.900 0.503 0.000 1.134 473 G CA 0.468 45.791 45.100 0.372 0.000 0.825 473 G HN 0.540 nan 8.290 nan 0.000 0.534 474 K N 0.613 121.257 120.400 0.407 0.000 2.009 474 K HA -0.146 4.173 4.320 -0.001 0.000 0.210 474 K C 1.612 178.516 176.600 0.506 0.000 1.049 474 K CA 1.763 58.326 56.287 0.459 0.000 0.929 474 K CB 0.025 32.624 32.500 0.165 0.000 0.714 474 K HN 0.105 nan 8.250 nan 0.000 0.440 475 D N -0.152 120.459 120.400 0.352 0.000 2.178 475 D HA -0.148 4.492 4.640 -0.001 0.000 0.202 475 D C 1.640 178.127 176.300 0.312 0.000 0.974 475 D CA 0.780 54.952 54.000 0.288 0.000 0.841 475 D CB -0.228 40.695 40.800 0.204 0.000 0.953 475 D HN 0.240 nan 8.370 nan 0.000 0.478 476 F N 1.302 121.397 119.950 0.241 0.000 2.134 476 F HA -0.200 4.327 4.527 -0.001 0.000 0.299 476 F C 2.119 178.049 175.800 0.217 0.000 1.097 476 F CA 1.010 59.156 58.000 0.244 0.000 1.264 476 F CB -0.091 39.088 39.000 0.298 0.000 1.001 476 F HN -0.226 nan 8.300 nan 0.000 0.479 477 V N -0.337 119.807 119.914 0.384 0.000 2.307 477 V HA -0.273 3.847 4.120 -0.001 0.000 0.245 477 V C 2.371 178.429 176.094 -0.060 0.000 1.045 477 V CA 1.637 64.020 62.300 0.138 0.000 1.024 477 V CB -0.708 31.164 31.823 0.082 0.000 0.651 477 V HN 0.273 nan 8.190 nan 0.000 0.449 478 V N -0.121 119.809 119.914 0.027 0.000 2.343 478 V HA -0.247 3.872 4.120 -0.001 0.000 0.247 478 V C 2.386 178.399 176.094 -0.134 0.000 1.051 478 V CA 2.077 64.343 62.300 -0.057 0.000 1.036 478 V CB -0.626 31.245 31.823 0.080 0.000 0.654 478 V HN 0.519 nan 8.190 nan 0.000 0.451 479 L N 1.166 122.321 121.223 -0.114 0.000 1.994 479 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 479 L C 2.526 179.173 176.870 -0.372 0.000 1.071 479 L CA 2.651 57.373 54.840 -0.197 0.000 0.745 479 L CB -0.672 41.313 42.059 -0.124 0.000 0.892 479 L HN 0.321 nan 8.230 nan 0.000 0.431 480 V N -2.450 117.198 119.914 -0.443 0.000 2.548 480 V HA -0.032 4.088 4.120 -0.001 0.000 0.249 480 V C 2.517 178.419 176.094 -0.320 0.000 1.055 480 V CA 1.264 63.239 62.300 -0.541 0.000 1.065 480 V CB -1.843 29.721 31.823 -0.432 0.000 0.681 480 V HN 0.445 nan 8.190 nan 0.000 0.462 481 A N 1.045 123.791 122.820 -0.123 0.000 1.902 481 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 481 A C 2.427 179.893 177.584 -0.197 0.000 1.181 481 A CA 2.021 54.011 52.037 -0.078 0.000 0.623 481 A CB -0.565 18.403 19.000 -0.054 0.000 0.818 481 A HN 0.581 nan 8.150 nan 0.000 0.443 482 R N -0.514 119.831 120.500 -0.259 0.000 2.081 482 R HA -0.009 4.331 4.340 -0.001 0.000 0.235 482 R C 2.052 178.143 176.300 -0.348 0.000 1.131 482 R CA 1.386 57.327 56.100 -0.266 0.000 0.960 482 R CB -0.537 29.612 30.300 -0.251 0.000 0.856 482 R HN 0.491 nan 8.270 nan 0.000 0.436 483 L N -0.207 120.680 121.223 -0.560 0.000 2.079 483 L HA -0.211 4.129 4.340 -0.001 0.000 0.210 483 L C 2.334 178.854 176.870 -0.583 0.000 1.081 483 L CA 1.056 55.409 54.840 -0.812 0.000 0.752 483 L CB -0.430 40.724 42.059 -1.508 0.000 0.896 483 L HN 0.153 nan 8.230 nan 0.000 0.433 484 F N 0.450 120.002 119.950 -0.664 0.000 2.075 484 F HA -0.184 4.342 4.527 -0.001 0.000 0.297 484 F C 2.298 177.938 175.800 -0.268 0.000 1.113 484 F CA 1.511 59.291 58.000 -0.367 0.000 1.218 484 F CB -0.522 37.980 39.000 -0.829 0.000 0.984 484 F HN -0.258 nan 8.300 nan 0.000 0.472 485 V N 0.873 120.587 119.914 -0.333 0.000 2.343 485 V HA -0.321 3.799 4.120 -0.001 0.000 0.247 485 V C 2.529 178.531 176.094 -0.155 0.000 1.051 485 V CA 2.142 64.291 62.300 -0.251 0.000 1.036 485 V CB -0.712 31.079 31.823 -0.053 0.000 0.654 485 V HN 0.358 nan 8.190 nan 0.000 0.451 486 I N -0.111 120.360 120.570 -0.165 0.000 2.163 486 I HA -0.259 3.910 4.170 -0.001 0.000 0.243 486 I C 2.645 178.660 176.117 -0.171 0.000 1.085 486 I CA 1.794 63.013 61.300 -0.134 0.000 1.347 486 I CB -0.369 37.526 38.000 -0.176 0.000 1.044 486 I HN 0.309 nan 8.210 nan 0.000 0.408 487 E N 1.283 121.376 120.200 -0.179 0.000 2.085 487 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 487 E C 2.023 178.338 176.600 -0.476 0.000 0.994 487 E CA 1.496 57.796 56.400 -0.166 0.000 0.801 487 E CB -0.244 29.538 29.700 0.137 0.000 0.743 487 E HN 0.441 nan 8.360 nan 0.000 0.453 488 I N -0.679 119.484 120.570 -0.678 0.000 2.142 488 I HA -0.252 3.917 4.170 -0.001 0.000 0.240 488 I C 1.556 177.184 176.117 -0.814 0.000 1.078 488 I CA 1.118 61.806 61.300 -1.021 0.000 1.343 488 I CB -0.222 37.017 38.000 -1.267 0.000 1.046 488 I HN 0.090 nan 8.210 nan 0.000 0.405 489 F N 0.812 120.581 119.950 -0.302 0.000 2.743 489 F HA 0.033 4.560 4.527 -0.000 0.000 0.297 489 F C 2.396 178.074 175.800 -0.203 0.000 1.131 489 F CA 0.357 58.239 58.000 -0.196 0.000 1.426 489 F CB -0.429 38.491 39.000 -0.133 0.000 1.116 489 F HN 0.059 nan 8.300 nan 0.000 0.583 490 R N 0.188 120.616 120.500 -0.120 0.000 2.236 490 R HA 0.048 4.388 4.340 -0.001 0.000 0.208 490 R C 1.696 177.845 176.300 -0.251 0.000 1.036 490 R CA 0.815 56.831 56.100 -0.140 0.000 1.001 490 R CB -0.267 29.963 30.300 -0.116 0.000 0.896 490 R HN 0.213 nan 8.270 nan 0.000 0.464 491 R N -0.488 119.732 120.500 -0.467 0.000 2.123 491 R HA 0.156 4.496 4.340 -0.001 0.000 0.209 491 R C -0.189 175.645 176.300 -0.776 0.000 1.078 491 R CA 0.597 56.240 56.100 -0.762 0.000 1.028 491 R CB 0.274 29.769 30.300 -1.342 0.000 0.939 491 R HN 0.109 nan 8.270 nan 0.000 0.463 492 Y N 0.241 120.390 120.300 -0.252 0.000 2.429 492 Y HA 0.205 4.755 4.550 -0.001 0.000 0.342 492 Y C 0.517 176.426 175.900 0.015 0.000 1.004 492 Y CA -1.383 56.617 58.100 -0.167 0.000 1.075 492 Y CB 1.251 39.546 38.460 -0.275 0.000 1.214 492 Y HN -0.152 nan 8.280 nan 0.000 0.455 493 D N 0.604 121.121 120.400 0.195 0.000 2.183 493 D HA -0.017 4.622 4.640 -0.001 0.000 0.203 493 D C 0.236 176.700 176.300 0.272 0.000 0.969 493 D CA 1.412 55.521 54.000 0.182 0.000 0.842 493 D CB 0.222 41.069 40.800 0.079 0.000 0.957 493 D HN 0.491 nan 8.370 nan 0.000 0.484 494 S N -1.355 114.499 115.700 0.257 0.000 2.643 494 S HA 0.586 5.056 4.470 -0.001 0.000 0.266 494 S C -1.263 173.473 174.600 0.226 0.000 1.130 494 S CA -1.187 57.196 58.200 0.305 0.000 0.817 494 S CB 1.145 64.357 63.200 0.020 0.000 1.107 494 S HN 0.139 nan 8.310 nan 0.000 0.471 495 F N -1.090 118.994 119.950 0.223 0.000 2.713 495 F HA 0.874 5.401 4.527 -0.001 0.000 0.311 495 F C -1.916 174.078 175.800 0.323 0.000 1.141 495 F CA -0.831 57.213 58.000 0.074 0.000 0.939 495 F CB 0.852 39.758 39.000 -0.158 0.000 1.325 495 F HN 0.529 nan 8.300 nan 0.000 0.453 496 D N 1.700 122.357 120.400 0.428 0.000 2.575 496 D HA 0.623 5.263 4.640 -0.001 0.000 0.236 496 D C -0.919 175.602 176.300 0.368 0.000 1.075 496 D CA -0.067 54.124 54.000 0.318 0.000 0.860 496 D CB 2.881 43.817 40.800 0.227 0.000 1.475 496 D HN 0.751 nan 8.370 nan 0.000 0.474 497 I N -2.078 118.626 120.570 0.223 0.000 2.846 497 I HA 0.696 4.866 4.170 -0.001 0.000 0.307 497 I C -0.668 175.485 176.117 0.060 0.000 1.053 497 I CA -0.616 60.761 61.300 0.129 0.000 1.050 497 I CB 2.554 40.603 38.000 0.081 0.000 1.239 497 I HN 0.194 nan 8.210 nan 0.000 0.439 498 E N 3.103 123.316 120.200 0.023 0.000 2.311 498 E HA 0.451 4.801 4.350 -0.001 0.000 0.281 498 E C -1.770 174.834 176.600 0.005 0.000 0.905 498 E CA -0.795 55.617 56.400 0.020 0.000 0.778 498 E CB 2.330 32.051 29.700 0.036 0.000 1.240 498 E HN 0.641 nan 8.360 nan 0.000 0.410 499 V N 2.863 122.782 119.914 0.008 0.000 2.655 499 V HA 0.389 4.509 4.120 -0.001 0.000 0.300 499 V C 0.885 176.990 176.094 0.019 0.000 1.044 499 V CA 0.579 62.886 62.300 0.012 0.000 1.095 499 V CB 1.067 32.901 31.823 0.018 0.000 0.952 499 V HN 0.690 nan 8.190 nan 0.000 0.485 500 G N 2.812 111.625 108.800 0.021 0.000 2.417 500 G HA2 0.698 4.657 3.960 -0.001 0.000 0.334 500 G HA3 0.698 4.657 3.960 -0.001 0.000 0.334 500 G C -0.305 174.610 174.900 0.025 0.000 1.150 500 G CA -0.236 44.878 45.100 0.024 0.000 0.923 500 G HN 0.853 nan 8.290 nan 0.000 0.485 501 T N -1.843 112.725 114.554 0.024 0.000 2.887 501 T HA 0.793 5.143 4.350 -0.001 0.000 0.288 501 T C -0.068 174.645 174.700 0.022 0.000 1.021 501 T CA -0.342 61.772 62.100 0.024 0.000 1.000 501 T CB 1.783 70.665 68.868 0.022 0.000 1.034 501 T HN 1.377 nan 8.240 nan 0.000 0.467 502 S N 1.276 116.990 115.700 0.022 0.000 2.607 502 S HA 0.639 5.109 4.470 -0.001 0.000 0.273 502 S C -2.321 172.291 174.600 0.020 0.000 1.148 502 S CA -1.260 56.952 58.200 0.020 0.000 0.833 502 S CB 0.979 64.192 63.200 0.021 0.000 1.130 502 S HN 0.448 nan 8.310 nan 0.000 0.470 503 P HA -0.081 nan 4.420 nan 0.000 0.216 503 P C 1.142 178.454 177.300 0.019 0.000 1.154 503 P CA 1.298 64.407 63.100 0.016 0.000 0.865 503 P CB -0.238 31.470 31.700 0.012 0.000 0.789 504 L N -2.772 118.464 121.223 0.022 0.000 2.622 504 L HA 0.172 4.512 4.340 -0.001 0.000 0.233 504 L C 1.323 178.212 176.870 0.032 0.000 1.156 504 L CA 0.523 55.379 54.840 0.027 0.000 0.866 504 L CB -1.204 40.872 42.059 0.028 0.000 0.980 504 L HN 0.116 nan 8.230 nan 0.000 0.448 505 G N -0.617 108.201 108.800 0.030 0.000 2.434 505 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.671 505 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.671 505 G C -0.726 174.193 174.900 0.032 0.000 1.280 505 G CA -0.350 44.771 45.100 0.034 0.000 0.975 505 G HN 0.260 nan 8.290 nan 0.000 0.510 506 S N -1.391 114.329 115.700 0.034 0.000 2.648 506 S HA 0.908 5.377 4.470 -0.001 0.000 0.305 506 S C -0.163 174.456 174.600 0.033 0.000 1.094 506 S CA 0.604 58.823 58.200 0.032 0.000 0.983 506 S CB 2.185 65.405 63.200 0.033 0.000 1.101 506 S HN 2.190 nan 8.310 nan 0.000 0.514 507 S N 0.403 116.122 115.700 0.031 0.000 2.556 507 S HA 0.606 5.076 4.470 -0.001 0.000 0.271 507 S C -1.370 173.249 174.600 0.032 0.000 1.135 507 S CA -0.636 57.586 58.200 0.036 0.000 0.858 507 S CB 1.396 64.615 63.200 0.033 0.000 1.114 507 S HN 0.818 nan 8.310 nan 0.000 0.468 508 V N 4.587 124.525 119.914 0.040 0.000 2.498 508 V HA 0.470 4.590 4.120 -0.001 0.000 0.279 508 V C 0.200 176.270 176.094 -0.040 0.000 1.048 508 V CA -0.501 61.792 62.300 -0.011 0.000 0.967 508 V CB 0.988 32.785 31.823 -0.044 0.000 0.988 508 V HN 0.788 nan 8.190 nan 0.000 0.473 509 N N 2.538 121.186 118.700 -0.085 0.000 2.328 509 N HA 0.549 5.288 4.740 -0.001 0.000 0.299 509 N C -1.276 174.125 175.510 -0.181 0.000 1.179 509 N CA -0.556 52.449 53.050 -0.076 0.000 0.793 509 N CB 2.404 40.906 38.487 0.026 0.000 1.366 509 N HN 0.425 nan 8.380 nan 0.000 0.493 510 F N 0.697 120.693 119.950 0.077 0.000 2.404 510 F HA 0.130 4.657 4.527 -0.001 0.000 0.345 510 F C 1.786 177.619 175.800 0.055 0.000 1.110 510 F CA -0.354 57.679 58.000 0.055 0.000 1.130 510 F CB 1.200 40.192 39.000 -0.013 0.000 1.129 510 F HN 0.520 nan 8.300 nan 0.000 0.500 511 S N 0.072 115.921 115.700 0.249 0.000 2.511 511 S HA 0.176 4.646 4.470 -0.001 0.000 0.214 511 S C 0.288 174.971 174.600 0.137 0.000 0.997 511 S CA 0.275 58.570 58.200 0.158 0.000 0.908 511 S CB -0.043 63.226 63.200 0.114 0.000 0.803 511 S HN 0.568 nan 8.310 nan 0.000 0.504 512 S N 0.332 116.131 115.700 0.165 0.000 2.537 512 S HA 0.690 5.160 4.470 -0.001 0.000 0.270 512 S C -1.473 173.121 174.600 -0.010 0.000 1.142 512 S CA -0.972 57.273 58.200 0.074 0.000 0.870 512 S CB 1.189 64.424 63.200 0.060 0.000 1.112 512 S HN 0.263 nan 8.310 nan 0.000 0.466 513 L N 2.347 123.478 121.223 -0.153 0.000 2.442 513 L HA 0.510 4.849 4.340 -0.001 0.000 0.261 513 L C -0.120 176.630 176.870 -0.199 0.000 1.000 513 L CA -0.515 54.068 54.840 -0.428 0.000 0.882 513 L CB 1.498 43.113 42.059 -0.739 0.000 1.207 513 L HN 0.663 nan 8.230 nan 0.000 0.443 514 R N 3.119 123.564 120.500 -0.091 0.000 2.248 514 R HA 0.256 4.596 4.340 -0.001 0.000 0.337 514 R C -0.247 176.139 176.300 0.143 0.000 1.106 514 R CA -0.430 55.681 56.100 0.018 0.000 0.959 514 R CB 0.712 30.998 30.300 -0.022 0.000 1.075 514 R HN 0.381 nan 8.270 nan 0.000 0.480 515 K N 2.250 122.738 120.400 0.147 0.000 2.326 515 K HA 0.303 4.623 4.320 -0.001 0.000 0.275 515 K C 0.329 176.948 176.600 0.031 0.000 1.018 515 K CA 0.335 56.700 56.287 0.129 0.000 0.962 515 K CB 1.107 33.651 32.500 0.073 0.000 0.953 515 K HN 0.749 nan 8.250 nan 0.000 0.475 516 A N 0.000 122.801 122.820 -0.032 0.000 2.254 516 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 516 A CA 0.000 52.009 52.037 -0.046 0.000 0.836 516 A CB 0.000 18.975 19.000 -0.042 0.000 0.831 516 A HN 0.000 nan 8.150 nan 0.000 0.486