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 2rch_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 0.000 176.818 176.870 -0.087 0.000 1.165 52 L CA 0.000 54.803 54.840 -0.061 0.000 0.813 52 L CB 0.000 42.037 42.059 -0.036 0.000 0.961 53 P HA 0.228 nan 4.420 nan 0.000 0.271 53 P C -0.659 176.532 177.300 -0.183 0.000 1.220 53 P CA 0.292 63.325 63.100 -0.111 0.000 0.768 53 P CB 0.696 32.340 31.700 -0.093 0.000 0.848 54 I N 4.094 124.571 120.570 -0.155 0.000 2.452 54 I HA 0.142 4.311 4.170 -0.001 0.000 0.287 54 I C 1.273 177.277 176.117 -0.188 0.000 1.079 54 I CA 0.415 61.600 61.300 -0.191 0.000 1.387 54 I CB 0.155 38.090 38.000 -0.109 0.000 1.404 54 I HN 0.188 nan 8.210 nan 0.000 0.522 55 R N 4.452 124.776 120.500 -0.294 0.000 2.740 55 R HA 0.425 4.764 4.340 -0.001 0.000 0.282 55 R C -0.634 175.677 176.300 0.019 0.000 0.969 55 R CA -1.181 54.822 56.100 -0.163 0.000 0.918 55 R CB 1.279 31.449 30.300 -0.216 0.000 1.175 55 R HN 0.463 nan 8.270 nan 0.000 0.464 56 N N 1.740 120.487 118.700 0.079 0.000 2.454 56 N HA 0.046 4.786 4.740 -0.001 0.000 0.254 56 N C -0.106 175.547 175.510 0.237 0.000 1.228 56 N CA 0.394 53.518 53.050 0.124 0.000 0.900 56 N CB 0.516 39.037 38.487 0.057 0.000 1.089 56 N HN 0.389 nan 8.380 nan 0.000 0.449 57 I N 3.878 124.561 120.570 0.187 0.000 2.452 57 I HA 0.089 4.258 4.170 -0.001 0.000 0.287 57 I C -1.549 174.516 176.117 -0.086 0.000 1.079 57 I CA -1.372 59.953 61.300 0.041 0.000 1.387 57 I CB 0.405 38.357 38.000 -0.081 0.000 1.404 57 I HN 0.269 nan 8.210 nan 0.000 0.522 58 P HA 0.389 nan 4.420 nan 0.000 0.274 58 P C -0.005 176.913 177.300 -0.636 0.000 1.256 58 P CA 0.140 63.056 63.100 -0.305 0.000 0.795 58 P CB 1.047 32.608 31.700 -0.233 0.000 1.038 59 G N 0.221 108.495 108.800 -0.878 0.000 2.619 59 G HA2 0.056 4.015 3.960 -0.001 0.000 0.686 59 G HA3 0.056 4.015 3.960 -0.001 0.000 0.686 59 G C -1.295 173.295 174.900 -0.518 0.000 1.256 59 G CA -0.573 43.937 45.100 -0.983 0.000 0.826 59 G HN 1.035 nan 8.290 nan 0.000 0.619 60 N N -0.994 117.465 118.700 -0.402 0.000 2.494 60 N HA 0.388 5.128 4.740 -0.001 0.000 0.270 60 N C -0.087 175.216 175.510 -0.345 0.000 1.285 60 N CA -1.056 51.756 53.050 -0.397 0.000 0.812 60 N CB 1.170 39.553 38.487 -0.174 0.000 1.557 60 N HN 0.539 nan 8.380 nan 0.000 0.487 61 Y N 0.257 120.548 120.300 -0.016 0.000 2.466 61 Y HA 0.248 4.798 4.550 -0.001 0.000 0.272 61 Y C 1.870 177.756 175.900 -0.022 0.000 1.169 61 Y CA 0.464 58.556 58.100 -0.013 0.000 1.285 61 Y CB -0.108 38.342 38.460 -0.017 0.000 1.078 61 Y HN 0.938 nan 8.280 nan 0.000 0.523 62 G N 1.079 109.924 108.800 0.075 0.000 2.641 62 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.254 62 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.254 62 G C -0.466 174.454 174.900 0.033 0.000 1.315 62 G CA -0.495 44.626 45.100 0.035 0.000 0.907 62 G HN 0.175 nan 8.290 nan 0.000 0.572 63 L N 1.569 122.794 121.223 0.003 0.000 2.452 63 L HA 0.396 4.736 4.340 -0.001 0.000 0.267 63 L C -1.657 175.200 176.870 -0.021 0.000 1.188 63 L CA -1.588 53.247 54.840 -0.008 0.000 0.821 63 L CB 0.517 42.564 42.059 -0.020 0.000 1.102 63 L HN 0.347 nan 8.230 nan 0.000 0.470 64 P HA 0.132 nan 4.420 nan 0.000 0.267 64 P C 0.670 177.927 177.300 -0.073 0.000 1.200 64 P CA 0.106 63.178 63.100 -0.047 0.000 0.772 64 P CB 0.524 32.200 31.700 -0.041 0.000 0.855 65 I N -0.199 120.308 120.570 -0.105 0.000 4.608 65 I HA -0.410 3.760 4.170 -0.001 0.000 0.051 65 I C 1.776 177.800 176.117 -0.155 0.000 0.619 65 I CA 1.663 62.877 61.300 -0.143 0.000 0.844 65 I CB -1.791 36.131 38.000 -0.131 0.000 0.772 65 I HN 0.130 nan 8.210 nan 0.000 0.161 66 V N 1.099 120.936 119.914 -0.127 0.000 2.307 66 V HA -0.204 3.916 4.120 -0.001 0.000 0.245 66 V C 2.483 178.486 176.094 -0.151 0.000 1.045 66 V CA 2.674 64.886 62.300 -0.147 0.000 1.024 66 V CB -1.189 30.575 31.823 -0.097 0.000 0.651 66 V HN 0.706 nan 8.190 nan 0.000 0.449 67 G N 0.686 109.432 108.800 -0.092 0.000 2.514 67 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.217 67 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.217 67 G C -0.184 174.673 174.900 -0.071 0.000 1.198 67 G CA 1.272 46.339 45.100 -0.054 0.000 0.780 67 G HN 0.512 nan 8.290 nan 0.000 0.565 68 P HA -0.066 nan 4.420 nan 0.000 0.215 68 P C 1.932 179.118 177.300 -0.190 0.000 1.153 68 P CA 0.749 63.782 63.100 -0.112 0.000 0.853 68 P CB -0.008 31.611 31.700 -0.135 0.000 0.788 69 I N -0.174 120.225 120.570 -0.284 0.000 2.226 69 I HA -0.203 3.967 4.170 -0.001 0.000 0.245 69 I C 2.273 177.999 176.117 -0.652 0.000 1.100 69 I CA 1.592 62.595 61.300 -0.495 0.000 1.374 69 I CB -1.312 36.326 38.000 -0.603 0.000 1.057 69 I HN 0.053 nan 8.210 nan 0.000 0.413 70 K N 0.704 120.834 120.400 -0.450 0.000 2.057 70 K HA -0.209 4.110 4.320 -0.001 0.000 0.207 70 K C 1.693 178.274 176.600 -0.033 0.000 1.049 70 K CA 1.597 57.730 56.287 -0.258 0.000 0.931 70 K CB 0.044 32.468 32.500 -0.126 0.000 0.714 70 K HN 0.197 nan 8.250 nan 0.000 0.440 71 D N 0.107 120.502 120.400 -0.008 0.000 2.144 71 D HA -0.170 4.470 4.640 -0.001 0.000 0.199 71 D C 1.931 178.254 176.300 0.038 0.000 0.984 71 D CA 0.834 54.923 54.000 0.149 0.000 0.834 71 D CB -0.088 40.817 40.800 0.175 0.000 0.955 71 D HN 0.230 nan 8.370 nan 0.000 0.465 72 R N -0.114 120.336 120.500 -0.084 0.000 2.075 72 R HA -0.135 4.205 4.340 -0.001 0.000 0.232 72 R C 2.032 178.464 176.300 0.219 0.000 1.126 72 R CA 0.995 57.043 56.100 -0.087 0.000 0.963 72 R CB -0.221 30.059 30.300 -0.034 0.000 0.858 72 R HN 0.192 nan 8.270 nan 0.000 0.435 73 W N 1.557 122.944 121.300 0.145 0.000 2.363 73 W HA -0.116 4.544 4.660 -0.001 0.000 0.296 73 W C 1.794 178.423 176.519 0.182 0.000 1.212 73 W CA 0.436 57.950 57.345 0.282 0.000 1.260 73 W CB -1.032 28.584 29.460 0.259 0.000 1.131 73 W HN 0.164 nan 8.180 nan 0.000 0.530 74 D N -1.214 119.392 120.400 0.344 0.000 2.097 74 D HA -0.217 4.422 4.640 -0.001 0.000 0.195 74 D C 1.914 178.258 176.300 0.074 0.000 0.989 74 D CA 1.426 55.575 54.000 0.249 0.000 0.827 74 D CB -0.858 40.147 40.800 0.342 0.000 0.966 74 D HN 0.169 nan 8.370 nan 0.000 0.456 75 Y N -0.136 119.931 120.300 -0.387 0.000 2.145 75 Y HA -0.216 4.334 4.550 -0.001 0.000 0.286 75 Y C 2.098 177.605 175.900 -0.654 0.000 1.145 75 Y CA 1.695 59.239 58.100 -0.925 0.000 1.148 75 Y CB -0.421 37.137 38.460 -1.504 0.000 0.981 75 Y HN -0.065 nan 8.280 nan 0.000 0.507 76 F N -2.698 117.079 119.950 -0.288 0.000 2.317 76 F HA -0.081 4.446 4.527 -0.000 0.000 0.293 76 F C 1.318 176.745 175.800 -0.621 0.000 1.085 76 F CA 0.968 58.617 58.000 -0.585 0.000 1.390 76 F CB -0.152 38.266 39.000 -0.971 0.000 1.077 76 F HN 0.016 nan 8.300 nan 0.000 0.517 77 Y N -1.583 118.843 120.300 0.210 0.000 2.673 77 Y HA 0.070 4.620 4.550 -0.001 0.000 0.278 77 Y C 1.649 177.588 175.900 0.065 0.000 1.127 77 Y CA -0.243 57.924 58.100 0.111 0.000 1.261 77 Y CB -0.042 38.452 38.460 0.057 0.000 1.412 77 Y HN -0.204 nan 8.280 nan 0.000 0.496 78 D N -0.212 120.325 120.400 0.228 0.000 2.333 78 D HA -0.016 4.623 4.640 -0.001 0.000 0.208 78 D C 1.224 177.577 176.300 0.090 0.000 0.984 78 D CA 0.953 55.043 54.000 0.151 0.000 0.873 78 D CB 0.414 41.316 40.800 0.171 0.000 0.935 78 D HN 0.514 nan 8.370 nan 0.000 0.521 79 Q N -0.597 119.240 119.800 0.062 0.000 2.519 79 Q HA 0.343 4.682 4.340 -0.001 0.000 0.248 79 Q C 0.665 176.638 176.000 -0.044 0.000 0.804 79 Q CA 0.365 56.181 55.803 0.021 0.000 0.979 79 Q CB 2.100 30.870 28.738 0.053 0.000 1.282 79 Q HN 0.136 nan 8.270 nan 0.000 0.558 80 G N 0.876 109.590 108.800 -0.144 0.000 2.730 80 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.686 80 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.686 80 G C 0.439 175.098 174.900 -0.400 0.000 1.343 80 G CA -0.198 44.740 45.100 -0.269 0.000 0.826 80 G HN 0.324 nan 8.290 nan 0.000 0.582 81 A N -0.067 122.389 122.820 -0.606 0.000 1.883 81 A HA -0.014 4.305 4.320 -0.001 0.000 0.217 81 A C 2.164 179.589 177.584 -0.265 0.000 1.186 81 A CA 2.502 54.119 52.037 -0.700 0.000 0.624 81 A CB -0.546 18.129 19.000 -0.543 0.000 0.822 81 A HN 1.149 nan 8.150 nan 0.000 0.444 82 E N -0.746 119.408 120.200 -0.078 0.000 2.051 82 E HA -0.267 4.082 4.350 -0.001 0.000 0.192 82 E C 2.013 178.667 176.600 0.090 0.000 0.991 82 E CA 1.559 58.012 56.400 0.089 0.000 0.799 82 E CB -0.099 29.699 29.700 0.164 0.000 0.748 82 E HN 0.591 nan 8.360 nan 0.000 0.449 83 E N -0.043 120.173 120.200 0.027 0.000 2.107 83 E HA -0.157 4.193 4.350 -0.001 0.000 0.191 83 E C 1.691 178.295 176.600 0.007 0.000 0.982 83 E CA 0.824 57.239 56.400 0.025 0.000 0.809 83 E CB -0.491 29.214 29.700 0.009 0.000 0.756 83 E HN 0.346 nan 8.360 nan 0.000 0.459 84 F N -0.101 119.710 119.950 -0.230 0.000 2.091 84 F HA -0.240 4.286 4.527 -0.001 0.000 0.299 84 F C 1.567 177.215 175.800 -0.253 0.000 1.103 84 F CA 1.768 59.573 58.000 -0.325 0.000 1.228 84 F CB -0.365 38.303 39.000 -0.553 0.000 0.984 84 F HN 0.067 nan 8.300 nan 0.000 0.477 85 F N 0.650 120.653 119.950 0.089 0.000 2.187 85 F HA -0.016 4.510 4.527 -0.001 0.000 0.295 85 F C 2.342 178.198 175.800 0.093 0.000 1.091 85 F CA 1.339 59.403 58.000 0.106 0.000 1.308 85 F CB -0.977 38.095 39.000 0.119 0.000 1.030 85 F HN -0.164 nan 8.300 nan 0.000 0.487 86 K N 0.264 120.802 120.400 0.231 0.000 2.097 86 K HA -0.135 4.185 4.320 -0.001 0.000 0.206 86 K C 2.272 178.892 176.600 0.034 0.000 1.049 86 K CA 1.632 58.007 56.287 0.146 0.000 0.933 86 K CB -0.443 32.129 32.500 0.119 0.000 0.717 86 K HN 0.309 nan 8.250 nan 0.000 0.442 87 S N 1.173 116.843 115.700 -0.049 0.000 2.382 87 S HA -0.146 4.323 4.470 -0.001 0.000 0.228 87 S C 1.971 176.414 174.600 -0.261 0.000 1.027 87 S CA 0.874 58.991 58.200 -0.139 0.000 0.991 87 S CB -0.213 62.891 63.200 -0.160 0.000 0.823 87 S HN 0.251 nan 8.310 nan 0.000 0.469 88 R N 0.535 120.829 120.500 -0.344 0.000 2.153 88 R HA 0.315 4.655 4.340 -0.001 0.000 0.218 88 R C 2.246 178.270 176.300 -0.460 0.000 1.072 88 R CA 1.048 56.749 56.100 -0.666 0.000 0.990 88 R CB -0.479 29.253 30.300 -0.945 0.000 0.889 88 R HN 0.435 nan 8.270 nan 0.000 0.452 89 I N 0.736 121.309 120.570 0.005 0.000 2.163 89 I HA -0.324 3.846 4.170 -0.001 0.000 0.243 89 I C 2.359 178.500 176.117 0.040 0.000 1.085 89 I CA 1.530 62.945 61.300 0.191 0.000 1.347 89 I CB -0.208 37.936 38.000 0.239 0.000 1.044 89 I HN 0.147 nan 8.210 nan 0.000 0.408 90 R N 0.576 121.055 120.500 -0.036 0.000 2.073 90 R HA -0.204 4.136 4.340 -0.001 0.000 0.234 90 R C 2.365 178.581 176.300 -0.140 0.000 1.134 90 R CA 1.394 57.457 56.100 -0.062 0.000 0.952 90 R CB -0.412 29.849 30.300 -0.064 0.000 0.850 90 R HN 0.311 nan 8.270 nan 0.000 0.433 91 K N 0.189 120.403 120.400 -0.310 0.000 2.032 91 K HA -0.189 4.130 4.320 -0.001 0.000 0.209 91 K C 1.363 177.750 176.600 -0.356 0.000 1.048 91 K CA 1.657 57.673 56.287 -0.452 0.000 0.927 91 K CB -0.026 31.976 32.500 -0.829 0.000 0.712 91 K HN 0.167 nan 8.250 nan 0.000 0.441 92 Y N 0.049 120.266 120.300 -0.138 0.000 2.482 92 Y HA 0.172 4.722 4.550 -0.001 0.000 0.270 92 Y C 0.018 175.918 175.900 0.001 0.000 1.152 92 Y CA 0.032 58.080 58.100 -0.086 0.000 1.292 92 Y CB -0.305 38.074 38.460 -0.135 0.000 1.070 92 Y HN 0.215 nan 8.280 nan 0.000 0.528 93 N N -0.047 118.728 118.700 0.125 0.000 2.735 93 N HA -0.202 4.538 4.740 -0.001 0.000 0.248 93 N C -0.510 175.107 175.510 0.178 0.000 1.083 93 N CA 0.840 53.963 53.050 0.122 0.000 0.703 93 N CB -1.007 37.535 38.487 0.092 0.000 1.005 93 N HN 0.148 nan 8.380 nan 0.000 0.550 94 S N -1.676 114.164 115.700 0.233 0.000 2.533 94 S HA 0.477 4.946 4.470 -0.001 0.000 0.271 94 S C 0.699 175.474 174.600 0.291 0.000 1.143 94 S CA -0.142 58.216 58.200 0.263 0.000 0.891 94 S CB 1.254 64.612 63.200 0.262 0.000 1.105 94 S HN 0.278 nan 8.310 nan 0.000 0.468 95 T N 0.401 115.074 114.554 0.199 0.000 3.144 95 T HA 0.345 4.695 4.350 -0.001 0.000 0.249 95 T C 0.111 174.766 174.700 -0.075 0.000 1.089 95 T CA -0.020 62.154 62.100 0.123 0.000 0.989 95 T CB -0.198 68.749 68.868 0.132 0.000 0.992 95 T HN 0.330 nan 8.240 nan 0.000 0.540 96 V N 2.627 122.439 119.914 -0.170 0.000 2.483 96 V HA 0.693 4.812 4.120 -0.001 0.000 0.297 96 V C -1.097 174.752 176.094 -0.409 0.000 1.027 96 V CA -1.174 60.839 62.300 -0.479 0.000 0.855 96 V CB 1.004 32.312 31.823 -0.859 0.000 0.995 96 V HN 0.605 nan 8.190 nan 0.000 0.424 97 Y N 2.294 122.426 120.300 -0.280 0.000 2.677 97 Y HA 0.723 5.273 4.550 -0.001 0.000 0.334 97 Y C -0.680 175.081 175.900 -0.231 0.000 1.196 97 Y CA -1.774 56.140 58.100 -0.311 0.000 1.059 97 Y CB 1.156 39.450 38.460 -0.276 0.000 1.315 97 Y HN 0.441 nan 8.280 nan 0.000 0.455 98 R N 1.431 121.886 120.500 -0.075 0.000 2.390 98 R HA 0.724 5.063 4.340 -0.001 0.000 0.291 98 R C -1.300 175.010 176.300 0.016 0.000 1.070 98 R CA -0.924 55.096 56.100 -0.134 0.000 1.014 98 R CB 1.784 31.726 30.300 -0.598 0.000 1.007 98 R HN 0.654 nan 8.270 nan 0.000 0.466 99 V N 2.670 122.737 119.914 0.255 0.000 3.147 99 V HA 0.226 4.346 4.120 -0.001 0.000 0.299 99 V C -1.333 175.015 176.094 0.424 0.000 1.302 99 V CA -0.927 61.569 62.300 0.326 0.000 1.015 99 V CB 2.786 34.870 31.823 0.435 0.000 1.086 99 V HN 0.843 nan 8.190 nan 0.000 0.437 100 N N 4.997 123.904 118.700 0.344 0.000 2.529 100 N HA 0.595 5.334 4.740 -0.001 0.000 0.278 100 N C -0.657 174.893 175.510 0.067 0.000 1.146 100 N CA -0.438 52.720 53.050 0.179 0.000 0.980 100 N CB 0.741 39.288 38.487 0.100 0.000 1.124 100 N HN 0.497 nan 8.380 nan 0.000 0.458 101 M N 1.719 121.274 119.600 -0.074 0.000 2.598 101 M HA 0.493 4.973 4.480 -0.001 0.000 0.317 101 M C -2.359 173.742 176.300 -0.331 0.000 1.179 101 M CA -2.567 52.569 55.300 -0.273 0.000 0.936 101 M CB 1.195 33.658 32.600 -0.227 0.000 1.713 101 M HN 0.279 nan 8.290 nan 0.000 0.460 102 P HA 0.198 nan 4.420 nan 0.000 0.272 102 P C -2.019 175.146 177.300 -0.225 0.000 1.240 102 P CA -0.639 62.222 63.100 -0.397 0.000 0.791 102 P CB -0.044 31.312 31.700 -0.572 0.000 0.978 103 P HA 0.032 nan 4.420 nan 0.000 0.239 103 P C 0.873 178.071 177.300 -0.169 0.000 1.188 103 P CA 0.867 63.856 63.100 -0.185 0.000 0.794 103 P CB -0.093 31.440 31.700 -0.279 0.000 0.937 104 G N 1.036 109.739 108.800 -0.162 0.000 2.614 104 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.303 104 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.303 104 G C 0.747 175.521 174.900 -0.209 0.000 1.270 104 G CA 1.225 46.222 45.100 -0.172 0.000 0.988 104 G HN 0.628 nan 8.290 nan 0.000 0.551 105 A N -2.938 119.707 122.820 -0.290 0.000 5.479 105 A HA -0.090 4.230 4.320 -0.001 0.000 0.301 105 A C 1.114 178.376 177.584 -0.537 0.000 1.961 105 A CA 3.026 54.773 52.037 -0.483 0.000 0.716 105 A CB -1.336 17.437 19.000 -0.379 0.000 1.266 105 A HN 1.953 nan 8.150 nan 0.000 0.372 106 F N -0.047 119.732 119.950 -0.286 0.000 2.664 106 F HA 0.421 4.947 4.527 -0.001 0.000 0.303 106 F C 1.746 177.455 175.800 -0.151 0.000 1.092 106 F CA 0.615 58.461 58.000 -0.258 0.000 1.305 106 F CB 0.097 38.802 39.000 -0.492 0.000 1.054 106 F HN 0.338 nan 8.300 nan 0.000 0.565 107 I N -0.771 119.784 120.570 -0.026 0.000 2.729 107 I HA 0.174 4.343 4.170 -0.001 0.000 0.256 107 I C 1.178 177.295 176.117 0.000 0.000 1.115 107 I CA 0.173 61.456 61.300 -0.029 0.000 1.446 107 I CB -0.062 37.833 38.000 -0.176 0.000 1.176 107 I HN -0.061 nan 8.210 nan 0.000 0.446 108 A N 1.404 124.200 122.820 -0.040 0.000 2.304 108 A HA 0.328 4.648 4.320 -0.001 0.000 0.323 108 A C 1.019 178.584 177.584 -0.031 0.000 1.195 108 A CA -0.537 51.499 52.037 -0.002 0.000 0.826 108 A CB 0.608 19.595 19.000 -0.022 0.000 1.184 108 A HN 0.272 nan 8.150 nan 0.000 0.496 109 E N 2.249 122.442 120.200 -0.012 0.000 2.077 109 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 109 E C 0.075 176.640 176.600 -0.058 0.000 0.989 109 E CA 1.470 57.854 56.400 -0.026 0.000 0.800 109 E CB -0.118 29.575 29.700 -0.013 0.000 0.746 109 E HN 0.488 nan 8.360 nan 0.000 0.452 110 N N 0.565 119.226 118.700 -0.065 0.000 2.533 110 N HA 0.187 4.927 4.740 -0.001 0.000 0.289 110 N C -2.427 173.020 175.510 -0.105 0.000 1.103 110 N CA -1.829 51.163 53.050 -0.097 0.000 0.877 110 N CB 2.033 40.465 38.487 -0.092 0.000 1.419 110 N HN -0.179 nan 8.380 nan 0.000 0.517 111 P HA 0.059 nan 4.420 nan 0.000 0.255 111 P C -0.439 176.785 177.300 -0.126 0.000 1.248 111 P CA 0.353 63.383 63.100 -0.115 0.000 0.807 111 P CB 0.574 32.199 31.700 -0.124 0.000 1.150 112 Q N 0.988 120.636 119.800 -0.252 0.000 2.293 112 Q HA 0.348 4.687 4.340 -0.001 0.000 0.263 112 Q C 0.238 176.151 176.000 -0.145 0.000 1.002 112 Q CA -0.245 55.275 55.803 -0.472 0.000 0.910 112 Q CB 1.518 29.609 28.738 -1.077 0.000 1.185 112 Q HN 0.043 nan 8.270 nan 0.000 0.401 113 V N -0.471 119.506 119.914 0.104 0.000 3.126 113 V HA 0.677 4.796 4.120 -0.001 0.000 0.314 113 V C -0.568 175.666 176.094 0.233 0.000 1.138 113 V CA -0.997 61.400 62.300 0.162 0.000 1.034 113 V CB 2.103 34.023 31.823 0.163 0.000 1.075 113 V HN 0.411 nan 8.190 nan 0.000 0.442 114 V N 2.399 122.388 119.914 0.125 0.000 2.347 114 V HA 0.762 4.882 4.120 -0.001 0.000 0.280 114 V C 0.739 176.815 176.094 -0.030 0.000 1.021 114 V CA 0.155 62.474 62.300 0.031 0.000 0.847 114 V CB 0.878 32.687 31.823 -0.024 0.000 0.990 114 V HN 1.338 nan 8.190 nan 0.000 0.444 115 A N 6.702 129.461 122.820 -0.102 0.000 2.331 115 A HA 0.795 5.114 4.320 -0.001 0.000 0.283 115 A C -0.494 176.894 177.584 -0.327 0.000 1.142 115 A CA -0.368 51.580 52.037 -0.148 0.000 0.812 115 A CB 0.297 19.180 19.000 -0.196 0.000 1.074 115 A HN 0.826 nan 8.150 nan 0.000 0.497 116 L N 3.451 124.499 121.223 -0.292 0.000 2.316 116 L HA 0.383 4.722 4.340 -0.001 0.000 0.280 116 L C -0.395 176.393 176.870 -0.137 0.000 1.006 116 L CA -0.030 54.663 54.840 -0.245 0.000 0.836 116 L CB 1.040 42.931 42.059 -0.279 0.000 1.221 116 L HN 0.689 nan 8.230 nan 0.000 0.418 117 L N 2.847 124.014 121.223 -0.095 0.000 3.288 117 L HA 0.304 4.644 4.340 -0.001 0.000 0.293 117 L C -0.709 176.196 176.870 0.059 0.000 1.294 117 L CA -0.240 54.591 54.840 -0.014 0.000 1.006 117 L CB 0.149 42.189 42.059 -0.032 0.000 1.407 117 L HN 0.657 nan 8.230 nan 0.000 0.592 118 D N -2.800 117.642 120.400 0.070 0.000 2.570 118 D HA 0.379 5.019 4.640 -0.001 0.000 0.244 118 D C 0.941 177.284 176.300 0.071 0.000 1.178 118 D CA -0.504 53.558 54.000 0.103 0.000 0.881 118 D CB 1.349 42.239 40.800 0.150 0.000 1.453 118 D HN -0.094 nan 8.370 nan 0.000 0.447 119 G N -0.576 108.278 108.800 0.091 0.000 2.598 119 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.215 119 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.215 119 G C 1.091 176.003 174.900 0.019 0.000 1.131 119 G CA 0.364 45.499 45.100 0.058 0.000 0.785 119 G HN 0.446 nan 8.290 nan 0.000 0.539 120 K N 0.718 121.027 120.400 -0.151 0.000 2.128 120 K HA -0.013 4.307 4.320 -0.001 0.000 0.202 120 K C 2.817 179.360 176.600 -0.094 0.000 1.050 120 K CA 1.159 57.334 56.287 -0.186 0.000 0.966 120 K CB 0.048 32.264 32.500 -0.474 0.000 0.759 120 K HN 0.358 nan 8.250 nan 0.000 0.454 121 S N 0.010 115.657 115.700 -0.088 0.000 2.395 121 S HA -0.109 4.360 4.470 -0.001 0.000 0.225 121 S C 1.901 176.455 174.600 -0.077 0.000 1.027 121 S CA 0.359 58.521 58.200 -0.062 0.000 0.965 121 S CB -0.666 62.502 63.200 -0.054 0.000 0.812 121 S HN 0.345 nan 8.310 nan 0.000 0.482 122 F N 4.008 123.836 119.950 -0.203 0.000 2.120 122 F HA 0.022 4.549 4.527 -0.001 0.000 0.300 122 F C -1.194 174.313 175.800 -0.488 0.000 1.095 122 F CA 1.208 59.031 58.000 -0.295 0.000 1.249 122 F CB -1.073 37.791 39.000 -0.227 0.000 0.995 122 F HN 0.239 nan 8.300 nan 0.000 0.480 123 P HA -0.152 nan 4.420 nan 0.000 0.226 123 P C 1.901 178.907 177.300 -0.491 0.000 1.146 123 P CA 0.955 63.743 63.100 -0.519 0.000 0.773 123 P CB -0.193 31.511 31.700 0.007 0.000 0.772 124 V N -0.467 119.245 119.914 -0.337 0.000 2.568 124 V HA -0.216 3.904 4.120 -0.001 0.000 0.253 124 V C 1.741 177.654 176.094 -0.303 0.000 1.072 124 V CA 1.634 63.790 62.300 -0.241 0.000 1.084 124 V CB -0.977 30.737 31.823 -0.181 0.000 0.676 124 V HN 0.069 nan 8.190 nan 0.000 0.469 125 L N -0.926 119.963 121.223 -0.556 0.000 2.465 125 L HA -0.010 4.330 4.340 -0.001 0.000 0.224 125 L C 1.886 178.637 176.870 -0.198 0.000 1.145 125 L CA 0.798 55.352 54.840 -0.477 0.000 0.834 125 L CB -0.424 41.173 42.059 -0.770 0.000 0.944 125 L HN 0.352 nan 8.230 nan 0.000 0.451 126 F N -1.637 118.283 119.950 -0.051 0.000 2.714 126 F HA 0.123 4.650 4.527 -0.001 0.000 0.294 126 F C 1.107 176.899 175.800 -0.012 0.000 1.120 126 F CA -0.756 57.237 58.000 -0.012 0.000 1.398 126 F CB -0.334 38.675 39.000 0.015 0.000 1.120 126 F HN -0.090 nan 8.300 nan 0.000 0.589 127 D N 1.374 121.843 120.400 0.114 0.000 2.393 127 D HA 0.104 4.743 4.640 -0.001 0.000 0.232 127 D C 1.475 177.796 176.300 0.036 0.000 1.192 127 D CA 0.129 54.170 54.000 0.070 0.000 0.882 127 D CB 1.380 42.200 40.800 0.033 0.000 1.038 127 D HN 0.108 nan 8.370 nan 0.000 0.499 128 V N 1.525 121.462 119.914 0.039 0.000 2.867 128 V HA -0.131 3.988 4.120 -0.001 0.000 0.260 128 V C 1.152 177.249 176.094 0.006 0.000 1.099 128 V CA 1.236 63.545 62.300 0.015 0.000 1.122 128 V CB -0.175 31.651 31.823 0.007 0.000 0.708 128 V HN 0.252 nan 8.190 nan 0.000 0.490 129 D N 0.705 121.111 120.400 0.010 0.000 2.224 129 D HA -0.019 4.620 4.640 -0.001 0.000 0.205 129 D C 2.141 178.441 176.300 -0.001 0.000 0.965 129 D CA 1.294 55.297 54.000 0.005 0.000 0.852 129 D CB 0.059 40.864 40.800 0.008 0.000 0.947 129 D HN 0.567 nan 8.370 nan 0.000 0.494 130 K N -0.203 120.195 120.400 -0.004 0.000 2.287 130 K HA 0.116 4.436 4.320 -0.001 0.000 0.199 130 K C 0.543 177.132 176.600 -0.018 0.000 1.061 130 K CA 0.211 56.490 56.287 -0.013 0.000 0.976 130 K CB 1.368 33.854 32.500 -0.023 0.000 0.898 130 K HN 0.011 nan 8.250 nan 0.000 0.492 131 V N -0.263 119.640 119.914 -0.018 0.000 2.604 131 V HA 0.397 4.517 4.120 -0.001 0.000 0.305 131 V C -0.719 175.370 176.094 -0.008 0.000 1.043 131 V CA -1.097 61.193 62.300 -0.018 0.000 0.888 131 V CB 1.917 33.721 31.823 -0.033 0.000 0.995 131 V HN 0.094 nan 8.190 nan 0.000 0.429 132 E N 2.928 123.125 120.200 -0.004 0.000 2.331 132 E HA 0.358 4.708 4.350 -0.001 0.000 0.272 132 E C -0.520 176.084 176.600 0.006 0.000 1.036 132 E CA -0.674 55.723 56.400 -0.005 0.000 0.864 132 E CB 0.928 30.626 29.700 -0.003 0.000 1.035 132 E HN 0.673 nan 8.360 nan 0.000 0.408 133 K N 4.081 124.480 120.400 -0.001 0.000 3.237 133 K HA 0.173 4.492 4.320 -0.001 0.000 0.197 133 K C -0.843 175.768 176.600 0.018 0.000 1.133 133 K CA -0.245 56.053 56.287 0.019 0.000 0.944 133 K CB 0.587 33.094 32.500 0.012 0.000 0.952 133 K HN 0.332 nan 8.250 nan 0.000 0.515 134 K N 1.581 121.994 120.400 0.022 0.000 2.235 134 K HA 0.108 4.428 4.320 -0.001 0.000 0.266 134 K C -0.689 175.943 176.600 0.054 0.000 0.980 134 K CA -0.125 56.179 56.287 0.028 0.000 0.849 134 K CB 0.674 33.178 32.500 0.007 0.000 1.098 134 K HN 0.146 nan 8.250 nan 0.000 0.445 135 D N 3.104 123.571 120.400 0.112 0.000 2.837 135 D HA -0.161 4.479 4.640 -0.001 0.000 0.230 135 D C 0.036 176.409 176.300 0.123 0.000 1.152 135 D CA 1.278 55.362 54.000 0.140 0.000 0.736 135 D CB -0.916 39.887 40.800 0.005 0.000 1.084 135 D HN 0.489 nan 8.370 nan 0.000 0.429 136 L N -4.372 116.936 121.223 0.142 0.000 3.333 136 L HA 0.387 4.727 4.340 -0.001 0.000 0.299 136 L C 1.318 178.223 176.870 0.058 0.000 1.256 136 L CA -0.558 54.295 54.840 0.022 0.000 1.037 136 L CB -0.735 41.323 42.059 -0.001 0.000 1.423 136 L HN -0.095 nan 8.230 nan 0.000 0.605 137 F N 2.318 122.241 119.950 -0.046 0.000 2.154 137 F HA -0.185 4.341 4.527 -0.001 0.000 0.301 137 F C 1.988 177.763 175.800 -0.041 0.000 1.087 137 F CA 2.266 60.190 58.000 -0.127 0.000 1.274 137 F CB 0.014 38.681 39.000 -0.554 0.000 1.009 137 F HN 0.359 nan 8.300 nan 0.000 0.485 138 T N -2.303 112.180 114.554 -0.118 0.000 3.134 138 T HA 0.602 4.952 4.350 -0.001 0.000 0.260 138 T C 0.953 175.426 174.700 -0.378 0.000 1.027 138 T CA 0.240 62.184 62.100 -0.260 0.000 0.913 138 T CB -0.167 68.511 68.868 -0.315 0.000 1.046 138 T HN 0.725 nan 8.240 nan 0.000 0.553 139 G N 2.175 110.618 108.800 -0.595 0.000 2.601 139 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.224 139 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.224 139 G C 0.813 175.270 174.900 -0.739 0.000 1.171 139 G CA 0.418 44.689 45.100 -1.382 0.000 1.009 139 G HN 0.917 nan 8.290 nan 0.000 0.589 140 T N -0.778 113.514 114.554 -0.437 0.000 3.129 140 T HA 0.491 4.841 4.350 -0.001 0.000 0.251 140 T C 0.518 175.221 174.700 0.005 0.000 1.117 140 T CA 1.566 63.576 62.100 -0.150 0.000 1.034 140 T CB -0.403 68.428 68.868 -0.061 0.000 0.968 140 T HN 1.682 nan 8.240 nan 0.000 0.526 141 Y N -0.784 119.431 120.300 -0.142 0.000 2.609 141 Y HA 0.770 5.320 4.550 -0.001 0.000 0.342 141 Y C -0.939 174.932 175.900 -0.050 0.000 1.058 141 Y CA -2.174 55.878 58.100 -0.080 0.000 1.055 141 Y CB 1.754 40.174 38.460 -0.066 0.000 1.292 141 Y HN -0.001 nan 8.280 nan 0.000 0.476 142 M N 4.129 123.597 119.600 -0.219 0.000 2.321 142 M HA 0.563 5.043 4.480 -0.001 0.000 0.315 142 M C -2.867 173.343 176.300 -0.150 0.000 1.052 142 M CA -2.022 53.075 55.300 -0.339 0.000 0.936 142 M CB 2.054 34.484 32.600 -0.282 0.000 1.639 142 M HN 0.594 nan 8.290 nan 0.000 0.433 143 P HA 0.045 nan 4.420 nan 0.000 0.268 143 P C -0.882 176.407 177.300 -0.019 0.000 1.208 143 P CA -0.102 63.048 63.100 0.083 0.000 0.777 143 P CB 0.601 32.386 31.700 0.141 0.000 0.875 144 S N 0.583 116.317 115.700 0.057 0.000 2.552 144 S HA 0.002 4.471 4.470 -0.001 0.000 0.289 144 S C 1.511 176.087 174.600 -0.039 0.000 1.304 144 S CA 0.379 58.585 58.200 0.010 0.000 1.063 144 S CB -0.300 62.934 63.200 0.057 0.000 0.848 144 S HN 0.627 nan 8.310 nan 0.000 0.499 145 T N 1.858 116.356 114.554 -0.094 0.000 3.025 145 T HA -0.029 4.320 4.350 -0.001 0.000 0.270 145 T C 1.174 175.817 174.700 -0.094 0.000 1.126 145 T CA 0.928 62.961 62.100 -0.112 0.000 1.105 145 T CB -0.323 68.458 68.868 -0.146 0.000 0.884 145 T HN 0.626 nan 8.240 nan 0.000 0.522 146 E N 1.347 121.508 120.200 -0.065 0.000 2.265 146 E HA 0.064 4.414 4.350 -0.001 0.000 0.196 146 E C 1.820 178.375 176.600 -0.076 0.000 0.996 146 E CA 0.461 56.819 56.400 -0.069 0.000 0.832 146 E CB -0.565 29.120 29.700 -0.026 0.000 0.756 146 E HN 0.578 nan 8.360 nan 0.000 0.491 147 L N 0.088 121.312 121.223 0.002 0.000 2.478 147 L HA 0.013 4.352 4.340 -0.001 0.000 0.223 147 L C 0.947 177.826 176.870 0.016 0.000 1.140 147 L CA 1.188 56.084 54.840 0.094 0.000 0.842 147 L CB -0.046 42.169 42.059 0.259 0.000 0.953 147 L HN 0.078 nan 8.230 nan 0.000 0.452 148 T N -4.423 110.094 114.554 -0.062 0.000 3.533 148 T HA 0.410 4.759 4.350 -0.001 0.000 0.275 148 T C 0.986 175.528 174.700 -0.262 0.000 1.000 148 T CA 0.067 62.168 62.100 0.002 0.000 1.015 148 T CB 0.676 69.679 68.868 0.225 0.000 1.153 148 T HN 0.250 nan 8.240 nan 0.000 0.504 149 G N 0.580 109.120 108.800 -0.433 0.000 2.168 149 G HA2 0.067 4.027 3.960 -0.001 0.000 0.257 149 G HA3 0.067 4.027 3.960 -0.001 0.000 0.257 149 G C 1.206 175.905 174.900 -0.336 0.000 0.997 149 G CA 0.548 45.327 45.100 -0.535 0.000 0.708 149 G HN 2.025 nan 8.290 nan 0.000 0.520 150 G N -2.625 106.007 108.800 -0.279 0.000 2.176 150 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.253 150 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.253 150 G C 0.256 174.903 174.900 -0.422 0.000 0.979 150 G CA 0.741 45.645 45.100 -0.328 0.000 0.641 150 G HN 1.266 nan 8.290 nan 0.000 0.530 151 Y N 0.502 120.693 120.300 -0.181 0.000 2.352 151 Y HA 0.641 5.190 4.550 -0.001 0.000 0.326 151 Y C 1.248 177.071 175.900 -0.128 0.000 1.166 151 Y CA -0.839 57.188 58.100 -0.122 0.000 1.182 151 Y CB 0.921 39.328 38.460 -0.087 0.000 1.216 151 Y HN 0.046 nan 8.280 nan 0.000 0.474 152 R N 3.045 123.571 120.500 0.044 0.000 2.248 152 R HA 0.239 4.579 4.340 -0.001 0.000 0.337 152 R C -0.727 175.595 176.300 0.036 0.000 1.085 152 R CA -0.449 55.640 56.100 -0.020 0.000 0.934 152 R CB 0.095 30.372 30.300 -0.039 0.000 1.034 152 R HN 0.423 nan 8.270 nan 0.000 0.465 153 I N 3.362 123.929 120.570 -0.005 0.000 2.882 153 I HA -0.122 4.048 4.170 -0.001 0.000 0.286 153 I C 1.782 177.783 176.117 -0.194 0.000 1.139 153 I CA -0.317 60.891 61.300 -0.153 0.000 1.379 153 I CB 0.442 38.140 38.000 -0.503 0.000 1.410 153 I HN 0.580 nan 8.210 nan 0.000 0.594 154 L N 4.309 125.393 121.223 -0.232 0.000 2.064 154 L HA -0.271 4.068 4.340 -0.001 0.000 0.216 154 L C 2.318 179.025 176.870 -0.271 0.000 1.077 154 L CA 2.018 56.738 54.840 -0.199 0.000 0.766 154 L CB -0.688 41.244 42.059 -0.212 0.000 0.890 154 L HN 0.724 nan 8.230 nan 0.000 0.435 155 S N -1.656 113.692 115.700 -0.588 0.000 2.440 155 S HA -0.172 4.298 4.470 -0.001 0.000 0.238 155 S C 1.468 175.639 174.600 -0.715 0.000 1.010 155 S CA 1.408 59.091 58.200 -0.861 0.000 0.972 155 S CB -0.477 61.627 63.200 -1.826 0.000 0.774 155 S HN 0.636 nan 8.310 nan 0.000 0.501 156 Y N 0.743 120.842 120.300 -0.336 0.000 2.482 156 Y HA 0.357 4.906 4.550 -0.001 0.000 0.270 156 Y C 0.516 176.361 175.900 -0.091 0.000 1.152 156 Y CA -0.235 57.766 58.100 -0.164 0.000 1.292 156 Y CB -0.113 38.238 38.460 -0.182 0.000 1.070 156 Y HN 0.105 nan 8.280 nan 0.000 0.528 157 L N 0.826 122.068 121.223 0.031 0.000 2.305 157 L HA 0.222 4.562 4.340 -0.001 0.000 0.281 157 L C -0.147 176.700 176.870 -0.038 0.000 1.085 157 L CA -0.581 54.282 54.840 0.038 0.000 0.813 157 L CB 0.797 42.907 42.059 0.085 0.000 1.157 157 L HN 0.019 nan 8.230 nan 0.000 0.436 158 D N 3.790 124.148 120.400 -0.069 0.000 2.372 158 D HA 0.109 4.749 4.640 -0.001 0.000 0.243 158 D C -1.668 174.448 176.300 -0.307 0.000 1.121 158 D CA -1.187 52.720 54.000 -0.155 0.000 0.898 158 D CB 1.390 42.142 40.800 -0.079 0.000 1.202 158 D HN 0.244 nan 8.370 nan 0.000 0.428 159 P HA -0.129 nan 4.420 nan 0.000 0.221 159 P C 0.968 178.190 177.300 -0.129 0.000 1.145 159 P CA 0.913 63.702 63.100 -0.519 0.000 0.795 159 P CB 0.017 31.511 31.700 -0.344 0.000 0.775 160 S N -1.339 114.306 115.700 -0.090 0.000 2.469 160 S HA -0.118 4.352 4.470 -0.001 0.000 0.238 160 S C 0.725 175.323 174.600 -0.004 0.000 0.998 160 S CA 0.559 58.741 58.200 -0.029 0.000 0.957 160 S CB -0.937 62.248 63.200 -0.026 0.000 0.764 160 S HN 0.244 nan 8.310 nan 0.000 0.514 161 E N 2.437 122.636 120.200 -0.001 0.000 2.194 161 E HA 0.196 4.546 4.350 -0.001 0.000 0.284 161 E C -1.919 174.718 176.600 0.062 0.000 1.035 161 E CA -2.333 54.084 56.400 0.029 0.000 0.836 161 E CB 0.904 30.622 29.700 0.030 0.000 1.070 161 E HN 0.174 nan 8.360 nan 0.000 0.401 162 P HA -0.224 nan 4.420 nan 0.000 0.217 162 P C 0.994 178.318 177.300 0.041 0.000 1.148 162 P CA 1.201 64.326 63.100 0.042 0.000 0.834 162 P CB 0.265 31.981 31.700 0.026 0.000 0.783 163 K N -1.537 118.888 120.400 0.041 0.000 2.365 163 K HA -0.148 4.171 4.320 -0.001 0.000 0.199 163 K C 2.002 178.610 176.600 0.013 0.000 1.045 163 K CA 0.916 57.215 56.287 0.020 0.000 0.962 163 K CB -0.785 31.729 32.500 0.023 0.000 0.759 163 K HN 0.349 nan 8.250 nan 0.000 0.469 164 H N 1.390 120.437 119.070 -0.038 0.000 2.353 164 H HA -0.087 4.469 4.556 -0.001 0.000 0.300 164 H C 2.090 177.380 175.328 -0.064 0.000 1.090 164 H CA 2.180 58.195 56.048 -0.057 0.000 1.327 164 H CB 0.191 29.929 29.762 -0.041 0.000 1.383 164 H HN 0.296 nan 8.280 nan 0.000 0.508 165 E N 0.387 120.572 120.200 -0.025 0.000 2.031 165 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 165 E C 2.059 178.595 176.600 -0.107 0.000 0.994 165 E CA 1.232 57.596 56.400 -0.059 0.000 0.800 165 E CB 0.044 29.766 29.700 0.036 0.000 0.752 165 E HN 0.494 nan 8.360 nan 0.000 0.447 166 K N 0.151 120.506 120.400 -0.074 0.000 2.032 166 K HA -0.150 4.169 4.320 -0.001 0.000 0.209 166 K C 2.298 178.822 176.600 -0.127 0.000 1.048 166 K CA 1.446 57.686 56.287 -0.079 0.000 0.927 166 K CB -0.153 32.314 32.500 -0.054 0.000 0.712 166 K HN 0.210 nan 8.250 nan 0.000 0.441 167 L N 0.709 121.835 121.223 -0.162 0.000 2.109 167 L HA -0.116 4.223 4.340 -0.001 0.000 0.207 167 L C 2.517 179.217 176.870 -0.283 0.000 1.086 167 L CA 1.012 55.738 54.840 -0.190 0.000 0.760 167 L CB -0.203 41.754 42.059 -0.171 0.000 0.910 167 L HN 0.124 nan 8.230 nan 0.000 0.437 168 K N -0.026 120.126 120.400 -0.413 0.000 2.155 168 K HA -0.116 4.203 4.320 -0.001 0.000 0.203 168 K C 1.930 178.136 176.600 -0.657 0.000 1.052 168 K CA 0.793 56.697 56.287 -0.637 0.000 0.948 168 K CB 0.139 32.161 32.500 -0.796 0.000 0.728 168 K HN 0.210 nan 8.250 nan 0.000 0.448 169 N N 1.194 119.712 118.700 -0.304 0.000 2.120 169 N HA -0.184 4.556 4.740 -0.001 0.000 0.188 169 N C 1.700 177.206 175.510 -0.006 0.000 1.024 169 N CA 0.889 53.910 53.050 -0.048 0.000 0.852 169 N CB -0.235 38.264 38.487 0.020 0.000 1.003 169 N HN 0.145 nan 8.380 nan 0.000 0.424 170 L N 1.157 122.333 121.223 -0.078 0.000 2.046 170 L HA -0.062 4.277 4.340 -0.001 0.000 0.208 170 L C 2.019 178.894 176.870 0.009 0.000 1.077 170 L CA 1.303 56.127 54.840 -0.027 0.000 0.747 170 L CB -0.467 41.547 42.059 -0.075 0.000 0.896 170 L HN 0.123 nan 8.230 nan 0.000 0.432 171 L N -1.871 119.276 121.223 -0.126 0.000 2.027 171 L HA -0.199 4.141 4.340 -0.001 0.000 0.206 171 L C 2.501 179.346 176.870 -0.042 0.000 1.074 171 L CA 1.010 55.755 54.840 -0.160 0.000 0.745 171 L CB -0.749 41.155 42.059 -0.258 0.000 0.898 171 L HN 0.198 nan 8.230 nan 0.000 0.433 172 F N -0.191 119.746 119.950 -0.022 0.000 2.120 172 F HA -0.287 4.240 4.527 -0.001 0.000 0.300 172 F C 2.443 178.252 175.800 0.014 0.000 1.095 172 F CA 1.230 59.228 58.000 -0.002 0.000 1.249 172 F CB -1.192 37.820 39.000 0.020 0.000 0.995 172 F HN -0.008 nan 8.300 nan 0.000 0.480 173 F N 0.223 120.236 119.950 0.107 0.000 2.146 173 F HA -0.168 4.359 4.527 -0.001 0.000 0.298 173 F C 2.277 178.058 175.800 -0.032 0.000 1.096 173 F CA 1.049 59.067 58.000 0.031 0.000 1.275 173 F CB -0.571 38.434 39.000 0.009 0.000 1.008 173 F HN -0.050 nan 8.300 nan 0.000 0.480 174 L N 0.501 121.726 121.223 0.002 0.000 2.042 174 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 174 L C 2.022 178.681 176.870 -0.351 0.000 1.076 174 L CA 1.914 56.616 54.840 -0.229 0.000 0.749 174 L CB -0.914 40.956 42.059 -0.315 0.000 0.893 174 L HN 0.270 nan 8.230 nan 0.000 0.432 175 L N -0.522 120.553 121.223 -0.247 0.000 2.072 175 L HA -0.190 4.150 4.340 -0.001 0.000 0.205 175 L C 2.683 179.522 176.870 -0.051 0.000 1.079 175 L CA 1.685 56.443 54.840 -0.137 0.000 0.752 175 L CB -0.694 41.364 42.059 -0.001 0.000 0.906 175 L HN 0.343 nan 8.230 nan 0.000 0.436 176 K N 0.112 120.454 120.400 -0.095 0.000 2.057 176 K HA -0.152 4.167 4.320 -0.001 0.000 0.207 176 K C 2.120 178.605 176.600 -0.192 0.000 1.049 176 K CA 1.739 57.960 56.287 -0.110 0.000 0.931 176 K CB -0.010 32.423 32.500 -0.112 0.000 0.714 176 K HN 0.135 nan 8.250 nan 0.000 0.440 177 S N 0.583 116.047 115.700 -0.394 0.000 2.419 177 S HA -0.108 4.361 4.470 -0.001 0.000 0.233 177 S C 1.782 176.285 174.600 -0.160 0.000 1.016 177 S CA 1.497 59.466 58.200 -0.385 0.000 0.974 177 S CB -0.148 62.685 63.200 -0.611 0.000 0.786 177 S HN 0.592 nan 8.310 nan 0.000 0.492 178 S N 1.813 117.462 115.700 -0.085 0.000 2.575 178 S HA 0.041 4.511 4.470 -0.001 0.000 0.215 178 S C 1.630 176.305 174.600 0.126 0.000 0.966 178 S CA -0.123 58.104 58.200 0.045 0.000 0.911 178 S CB -0.167 63.120 63.200 0.144 0.000 0.780 178 S HN 0.625 nan 8.310 nan 0.000 0.514 179 R N 1.944 122.498 120.500 0.091 0.000 2.117 179 R HA -0.045 4.294 4.340 -0.001 0.000 0.243 179 R C 1.384 177.764 176.300 0.132 0.000 1.143 179 R CA 2.178 58.360 56.100 0.136 0.000 0.968 179 R CB -1.058 29.286 30.300 0.074 0.000 0.863 179 R HN 0.512 nan 8.270 nan 0.000 0.444 180 N N -0.371 118.378 118.700 0.081 0.000 2.412 180 N HA 0.066 4.805 4.740 -0.001 0.000 0.184 180 N C 1.160 176.739 175.510 0.114 0.000 1.101 180 N CA 0.190 53.279 53.050 0.065 0.000 0.881 180 N CB 0.259 38.761 38.487 0.024 0.000 0.969 180 N HN 0.277 nan 8.380 nan 0.000 0.459 181 R N -0.053 120.539 120.500 0.153 0.000 2.265 181 R HA 0.248 4.587 4.340 -0.001 0.000 0.194 181 R C 1.551 178.027 176.300 0.293 0.000 0.931 181 R CA 0.102 56.311 56.100 0.182 0.000 1.032 181 R CB 0.153 30.532 30.300 0.131 0.000 0.980 181 R HN 0.206 nan 8.270 nan 0.000 0.497 182 I N 0.456 121.247 120.570 0.369 0.000 2.127 182 I HA -0.310 3.860 4.170 -0.001 0.000 0.241 182 I C 1.687 178.116 176.117 0.520 0.000 1.075 182 I CA 1.665 63.270 61.300 0.509 0.000 1.334 182 I CB -0.246 38.050 38.000 0.494 0.000 1.040 182 I HN 0.010 nan 8.210 nan 0.000 0.405 183 F N 1.049 121.117 119.950 0.196 0.000 2.075 183 F HA -0.123 4.403 4.527 -0.001 0.000 0.297 183 F C -0.130 175.786 175.800 0.193 0.000 1.113 183 F CA 1.403 59.489 58.000 0.143 0.000 1.218 183 F CB -2.420 36.623 39.000 0.072 0.000 0.984 183 F HN 0.111 nan 8.300 nan 0.000 0.472 184 P HA -0.135 nan 4.420 nan 0.000 0.217 184 P C 1.218 178.677 177.300 0.265 0.000 1.151 184 P CA 1.516 64.771 63.100 0.258 0.000 0.828 184 P CB -0.005 31.810 31.700 0.192 0.000 0.788 185 E N -0.902 119.496 120.200 0.330 0.000 2.107 185 E HA -0.095 4.254 4.350 -0.001 0.000 0.191 185 E C 1.963 178.828 176.600 0.442 0.000 0.982 185 E CA 0.582 57.199 56.400 0.361 0.000 0.809 185 E CB -0.972 28.948 29.700 0.367 0.000 0.756 185 E HN 0.287 nan 8.360 nan 0.000 0.459 186 F N 2.094 122.213 119.950 0.283 0.000 2.102 186 F HA -0.211 4.315 4.527 -0.001 0.000 0.298 186 F C 2.698 178.541 175.800 0.071 0.000 1.105 186 F CA 1.848 59.783 58.000 -0.109 0.000 1.239 186 F CB 0.023 38.750 39.000 -0.455 0.000 0.991 186 F HN 0.001 nan 8.300 nan 0.000 0.474 187 Q N 0.143 120.137 119.800 0.325 0.000 2.096 187 Q HA -0.220 4.119 4.340 -0.001 0.000 0.204 187 Q C 2.249 178.342 176.000 0.155 0.000 0.982 187 Q CA 1.643 57.590 55.803 0.241 0.000 0.850 187 Q CB -0.336 28.522 28.738 0.200 0.000 0.901 187 Q HN 0.510 nan 8.270 nan 0.000 0.422 188 A N 0.373 123.276 122.820 0.138 0.000 1.855 188 A HA -0.190 4.129 4.320 -0.001 0.000 0.215 188 A C 2.309 179.913 177.584 0.034 0.000 1.191 188 A CA 2.185 54.275 52.037 0.088 0.000 0.613 188 A CB -1.274 17.784 19.000 0.095 0.000 0.829 188 A HN 0.674 nan 8.150 nan 0.000 0.442 189 T N -3.270 111.290 114.554 0.010 0.000 2.737 189 T HA -0.180 4.169 4.350 -0.001 0.000 0.265 189 T C 1.803 176.320 174.700 -0.304 0.000 1.038 189 T CA 1.643 63.666 62.100 -0.129 0.000 1.144 189 T CB -0.637 68.160 68.868 -0.118 0.000 0.866 189 T HN 0.402 nan 8.240 nan 0.000 0.434 190 Y N 2.596 122.711 120.300 -0.310 0.000 2.314 190 Y HA -0.007 4.543 4.550 -0.001 0.000 0.293 190 Y C 3.245 179.099 175.900 -0.077 0.000 1.129 190 Y CA 1.055 58.967 58.100 -0.313 0.000 1.201 190 Y CB -0.481 37.711 38.460 -0.446 0.000 0.999 190 Y HN 0.448 nan 8.280 nan 0.000 0.541 191 S N -0.175 115.611 115.700 0.145 0.000 2.368 191 S HA -0.232 4.237 4.470 -0.001 0.000 0.225 191 S C 1.753 176.400 174.600 0.078 0.000 1.030 191 S CA 1.481 59.780 58.200 0.166 0.000 0.999 191 S CB -0.517 62.748 63.200 0.109 0.000 0.844 191 S HN 0.537 nan 8.310 nan 0.000 0.459 192 E N 0.887 121.081 120.200 -0.010 0.000 2.085 192 E HA -0.107 4.242 4.350 -0.001 0.000 0.194 192 E C 2.045 178.591 176.600 -0.090 0.000 0.994 192 E CA 1.235 57.608 56.400 -0.045 0.000 0.801 192 E CB -0.341 29.317 29.700 -0.068 0.000 0.743 192 E HN 0.479 nan 8.360 nan 0.000 0.453 193 L N 0.236 121.330 121.223 -0.215 0.000 1.994 193 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 193 L C 1.947 178.703 176.870 -0.189 0.000 1.071 193 L CA 1.743 56.400 54.840 -0.304 0.000 0.745 193 L CB -0.556 41.160 42.059 -0.572 0.000 0.892 193 L HN 0.070 nan 8.230 nan 0.000 0.431 194 F N -0.046 119.943 119.950 0.065 0.000 2.171 194 F HA -0.218 4.309 4.527 -0.001 0.000 0.300 194 F C 2.369 178.202 175.800 0.056 0.000 1.090 194 F CA 1.330 59.382 58.000 0.087 0.000 1.293 194 F CB -0.562 38.493 39.000 0.092 0.000 1.013 194 F HN 0.262 nan 8.300 nan 0.000 0.486 195 D N -0.300 120.208 120.400 0.179 0.000 2.104 195 D HA -0.209 4.431 4.640 -0.001 0.000 0.194 195 D C 2.323 178.666 176.300 0.071 0.000 0.994 195 D CA 1.679 55.739 54.000 0.099 0.000 0.830 195 D CB -0.284 40.549 40.800 0.055 0.000 0.959 195 D HN 0.068 nan 8.370 nan 0.000 0.452 196 S N -1.207 114.517 115.700 0.041 0.000 2.368 196 S HA -0.080 4.390 4.470 -0.001 0.000 0.225 196 S C 2.094 176.723 174.600 0.049 0.000 1.030 196 S CA 0.915 59.129 58.200 0.022 0.000 0.999 196 S CB -0.368 62.821 63.200 -0.018 0.000 0.844 196 S HN 0.326 nan 8.310 nan 0.000 0.459 197 L N 0.826 122.098 121.223 0.082 0.000 2.093 197 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 197 L C 2.582 179.507 176.870 0.091 0.000 1.085 197 L CA 1.320 56.232 54.840 0.121 0.000 0.755 197 L CB -0.588 41.599 42.059 0.213 0.000 0.904 197 L HN 0.375 nan 8.230 nan 0.000 0.435 198 E N 0.246 120.499 120.200 0.089 0.000 2.085 198 E HA -0.281 4.068 4.350 -0.001 0.000 0.194 198 E C 2.153 178.781 176.600 0.046 0.000 0.994 198 E CA 1.344 57.780 56.400 0.059 0.000 0.801 198 E CB -0.010 29.743 29.700 0.089 0.000 0.743 198 E HN 0.328 nan 8.360 nan 0.000 0.453 199 K N 1.152 121.581 120.400 0.048 0.000 2.025 199 K HA -0.223 4.096 4.320 -0.001 0.000 0.207 199 K C 2.167 178.788 176.600 0.036 0.000 1.049 199 K CA 1.500 57.809 56.287 0.036 0.000 0.933 199 K CB 0.011 32.529 32.500 0.029 0.000 0.714 199 K HN 0.018 nan 8.250 nan 0.000 0.438 200 E N 0.772 120.998 120.200 0.044 0.000 2.058 200 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 200 E C 2.111 178.742 176.600 0.052 0.000 0.997 200 E CA 1.096 57.524 56.400 0.048 0.000 0.801 200 E CB -0.083 29.652 29.700 0.058 0.000 0.746 200 E HN 0.353 nan 8.360 nan 0.000 0.450 201 L N 0.862 122.120 121.223 0.059 0.000 2.042 201 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 201 L C 2.676 179.569 176.870 0.040 0.000 1.076 201 L CA 2.022 56.895 54.840 0.055 0.000 0.749 201 L CB -0.550 41.534 42.059 0.041 0.000 0.893 201 L HN 0.304 nan 8.230 nan 0.000 0.432 202 S N -0.639 115.080 115.700 0.032 0.000 2.402 202 S HA -0.167 4.302 4.470 -0.001 0.000 0.229 202 S C 1.884 176.499 174.600 0.025 0.000 1.021 202 S CA 0.909 59.124 58.200 0.026 0.000 0.974 202 S CB -0.477 62.737 63.200 0.023 0.000 0.800 202 S HN 0.462 nan 8.310 nan 0.000 0.484 203 L N 0.193 121.433 121.223 0.027 0.000 2.102 203 L HA 0.178 4.517 4.340 -0.001 0.000 0.202 203 L C 2.547 179.433 176.870 0.026 0.000 1.076 203 L CA 1.146 56.001 54.840 0.025 0.000 0.761 203 L CB -0.206 41.867 42.059 0.023 0.000 0.921 203 L HN 0.255 nan 8.230 nan 0.000 0.444 204 K N -0.960 119.459 120.400 0.033 0.000 2.360 204 K HA 0.222 4.542 4.320 -0.001 0.000 0.196 204 K C 1.186 177.808 176.600 0.038 0.000 1.049 204 K CA 0.590 56.897 56.287 0.034 0.000 1.049 204 K CB 0.968 33.491 32.500 0.037 0.000 0.881 204 K HN 0.319 nan 8.250 nan 0.000 0.542 205 G N 2.718 111.543 108.800 0.041 0.000 2.205 205 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.261 205 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.261 205 G C -0.044 174.892 174.900 0.059 0.000 0.980 205 G CA 1.041 46.167 45.100 0.044 0.000 0.632 205 G HN 0.399 nan 8.290 nan 0.000 0.533 206 K N -1.387 119.054 120.400 0.067 0.000 2.556 206 K HA 0.834 5.153 4.320 -0.001 0.000 0.274 206 K C -1.012 175.651 176.600 0.105 0.000 0.966 206 K CA -0.525 55.816 56.287 0.091 0.000 0.865 206 K CB 1.839 34.386 32.500 0.078 0.000 1.444 206 K HN 1.329 nan 8.250 nan 0.000 0.433 207 A N 1.559 124.472 122.820 0.155 0.000 2.385 207 A HA 0.306 4.626 4.320 -0.001 0.000 0.290 207 A C -1.523 176.176 177.584 0.191 0.000 1.094 207 A CA -0.652 51.491 52.037 0.177 0.000 0.729 207 A CB 1.326 20.465 19.000 0.231 0.000 1.194 207 A HN 0.754 nan 8.150 nan 0.000 0.442 208 D N 2.669 123.145 120.400 0.125 0.000 2.383 208 D HA 0.108 4.748 4.640 -0.001 0.000 0.245 208 D C 0.720 177.088 176.300 0.113 0.000 1.263 208 D CA -0.235 53.822 54.000 0.095 0.000 0.936 208 D CB -0.207 40.622 40.800 0.048 0.000 1.053 208 D HN 0.415 nan 8.370 nan 0.000 0.507 209 F N 3.583 123.529 119.950 -0.007 0.000 2.075 209 F HA -0.020 4.506 4.527 -0.001 0.000 0.297 209 F C 2.094 177.893 175.800 -0.002 0.000 1.113 209 F CA 2.097 60.101 58.000 0.007 0.000 1.218 209 F CB -0.403 38.521 39.000 -0.127 0.000 0.984 209 F HN 0.403 nan 8.300 nan 0.000 0.472 210 G N -0.212 108.585 108.800 -0.005 0.000 2.491 210 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.218 210 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.218 210 G C 1.950 176.760 174.900 -0.150 0.000 1.180 210 G CA 0.869 45.910 45.100 -0.099 0.000 0.774 210 G HN 0.664 nan 8.290 nan 0.000 0.562 211 G N -0.082 108.672 108.800 -0.077 0.000 2.475 211 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.220 211 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.220 211 G C 2.015 176.860 174.900 -0.091 0.000 1.125 211 G CA 1.629 46.695 45.100 -0.058 0.000 0.755 211 G HN 0.482 nan 8.290 nan 0.000 0.565 212 S N -0.180 115.425 115.700 -0.159 0.000 2.497 212 S HA 0.025 4.494 4.470 -0.001 0.000 0.221 212 S C 2.572 177.002 174.600 -0.284 0.000 1.037 212 S CA 0.762 58.855 58.200 -0.179 0.000 0.920 212 S CB 0.207 63.315 63.200 -0.153 0.000 0.800 212 S HN 0.584 nan 8.310 nan 0.000 0.505 213 S N 1.962 117.370 115.700 -0.486 0.000 2.447 213 S HA -0.087 4.382 4.470 -0.001 0.000 0.233 213 S C 1.165 175.578 174.600 -0.312 0.000 1.006 213 S CA 0.912 58.750 58.200 -0.603 0.000 0.957 213 S CB -0.370 62.062 63.200 -1.281 0.000 0.773 213 S HN 0.256 nan 8.310 nan 0.000 0.507 214 D N 2.339 122.633 120.400 -0.178 0.000 2.117 214 D HA 0.018 4.657 4.640 -0.001 0.000 0.197 214 D C 2.191 178.677 176.300 0.311 0.000 0.987 214 D CA 1.466 55.515 54.000 0.081 0.000 0.829 214 D CB -1.012 39.900 40.800 0.187 0.000 0.961 214 D HN 0.540 nan 8.370 nan 0.000 0.460 215 G N 0.009 108.872 108.800 0.106 0.000 2.421 215 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.216 215 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.216 215 G C 1.693 176.619 174.900 0.042 0.000 1.171 215 G CA 1.530 46.675 45.100 0.076 0.000 0.775 215 G HN 0.226 nan 8.290 nan 0.000 0.543 216 T N 1.884 116.364 114.554 -0.122 0.000 2.665 216 T HA -0.106 4.244 4.350 -0.001 0.000 0.268 216 T C 2.802 177.412 174.700 -0.150 0.000 1.035 216 T CA 1.797 63.720 62.100 -0.294 0.000 1.151 216 T CB -0.490 67.969 68.868 -0.682 0.000 0.862 216 T HN 0.394 nan 8.240 nan 0.000 0.438 217 A N 1.015 123.842 122.820 0.013 0.000 1.883 217 A HA -0.080 4.240 4.320 -0.001 0.000 0.217 217 A C 2.055 179.877 177.584 0.397 0.000 1.186 217 A CA 1.638 53.829 52.037 0.257 0.000 0.624 217 A CB -1.075 18.001 19.000 0.126 0.000 0.822 217 A HN 0.471 nan 8.150 nan 0.000 0.444 218 F N 1.436 121.588 119.950 0.337 0.000 2.134 218 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 218 F C 2.083 177.894 175.800 0.018 0.000 1.097 218 F CA 1.950 60.025 58.000 0.125 0.000 1.264 218 F CB -0.221 38.678 39.000 -0.168 0.000 1.001 218 F HN 0.223 nan 8.300 nan 0.000 0.479 219 N N 0.223 118.962 118.700 0.064 0.000 2.120 219 N HA -0.235 4.504 4.740 -0.001 0.000 0.188 219 N C 1.873 177.360 175.510 -0.038 0.000 1.024 219 N CA 1.597 54.633 53.050 -0.023 0.000 0.852 219 N CB -1.145 37.347 38.487 0.009 0.000 1.003 219 N HN 0.402 nan 8.380 nan 0.000 0.424 220 F N 2.005 121.895 119.950 -0.101 0.000 2.091 220 F HA -0.113 4.413 4.527 -0.001 0.000 0.299 220 F C 2.026 177.752 175.800 -0.123 0.000 1.103 220 F CA 1.237 59.208 58.000 -0.048 0.000 1.228 220 F CB -0.629 38.416 39.000 0.074 0.000 0.984 220 F HN -0.059 nan 8.300 nan 0.000 0.477 221 L N 0.031 120.886 121.223 -0.613 0.000 2.046 221 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 221 L C 2.833 179.284 176.870 -0.698 0.000 1.077 221 L CA 1.189 55.447 54.840 -0.970 0.000 0.747 221 L CB -1.276 40.406 42.059 -0.628 0.000 0.896 221 L HN 0.284 nan 8.230 nan 0.000 0.432 222 A N 0.162 122.694 122.820 -0.480 0.000 1.930 222 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 222 A C 2.385 179.940 177.584 -0.049 0.000 1.175 222 A CA 1.387 53.343 52.037 -0.134 0.000 0.627 222 A CB -0.373 18.533 19.000 -0.155 0.000 0.815 222 A HN 0.326 nan 8.150 nan 0.000 0.443 223 R N -0.664 119.762 120.500 -0.124 0.000 2.075 223 R HA 0.084 4.423 4.340 -0.001 0.000 0.226 223 R C 2.468 178.725 176.300 -0.071 0.000 1.114 223 R CA 1.076 57.151 56.100 -0.042 0.000 0.972 223 R CB -0.352 29.957 30.300 0.016 0.000 0.869 223 R HN 0.480 nan 8.270 nan 0.000 0.437 224 A N 0.626 123.308 122.820 -0.229 0.000 1.872 224 A HA -0.081 4.239 4.320 -0.001 0.000 0.214 224 A C 1.718 179.248 177.584 -0.090 0.000 1.187 224 A CA 1.015 52.943 52.037 -0.182 0.000 0.614 224 A CB -0.348 18.394 19.000 -0.431 0.000 0.826 224 A HN 0.135 nan 8.150 nan 0.000 0.442 225 F N -1.802 117.886 119.950 -0.436 0.000 2.187 225 F HA 0.055 4.582 4.527 -0.001 0.000 0.295 225 F C 1.477 176.840 175.800 -0.729 0.000 1.091 225 F CA 0.519 58.083 58.000 -0.728 0.000 1.308 225 F CB -0.797 37.449 39.000 -1.257 0.000 1.030 225 F HN 0.340 nan 8.300 nan 0.000 0.487 226 Y N -1.328 119.034 120.300 0.103 0.000 2.527 226 Y HA 0.447 4.997 4.550 -0.001 0.000 0.247 226 Y C 1.700 177.582 175.900 -0.030 0.000 1.138 226 Y CA -0.395 57.710 58.100 0.007 0.000 1.228 226 Y CB -0.190 38.230 38.460 -0.067 0.000 1.252 226 Y HN 0.071 nan 8.280 nan 0.000 0.531 227 G N 1.431 110.275 108.800 0.073 0.000 2.283 227 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.280 227 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.280 227 G C -0.058 174.868 174.900 0.043 0.000 1.029 227 G CA 0.906 46.035 45.100 0.048 0.000 0.840 227 G HN 0.274 nan 8.290 nan 0.000 0.505 228 T N 0.103 114.691 114.554 0.057 0.000 2.841 228 T HA 0.438 4.788 4.350 -0.001 0.000 0.285 228 T C -0.323 174.430 174.700 0.090 0.000 0.991 228 T CA -0.687 61.441 62.100 0.048 0.000 0.966 228 T CB 1.463 70.318 68.868 -0.022 0.000 0.962 228 T HN 0.253 nan 8.240 nan 0.000 0.438 229 N N 3.731 122.477 118.700 0.077 0.000 2.420 229 N HA 0.279 5.019 4.740 -0.001 0.000 0.249 229 N C -1.876 173.703 175.510 0.115 0.000 1.033 229 N CA -2.220 50.875 53.050 0.075 0.000 0.944 229 N CB 1.635 40.149 38.487 0.045 0.000 1.113 229 N HN 0.158 nan 8.380 nan 0.000 0.502 230 P HA -0.125 nan 4.420 nan 0.000 0.217 230 P C 0.792 178.113 177.300 0.035 0.000 1.148 230 P CA 1.240 64.389 63.100 0.082 0.000 0.828 230 P CB 0.224 31.913 31.700 -0.018 0.000 0.783 231 A N -0.085 122.747 122.820 0.020 0.000 2.024 231 A HA -0.203 4.116 4.320 -0.001 0.000 0.220 231 A C 1.628 179.221 177.584 0.015 0.000 1.164 231 A CA 1.858 53.898 52.037 0.004 0.000 0.643 231 A CB -1.215 17.785 19.000 -0.001 0.000 0.806 231 A HN 0.123 nan 8.150 nan 0.000 0.451 232 D N -0.234 120.186 120.400 0.034 0.000 2.324 232 D HA 0.066 4.705 4.640 -0.001 0.000 0.235 232 D C 0.882 177.205 176.300 0.038 0.000 1.095 232 D CA 1.097 55.115 54.000 0.030 0.000 0.871 232 D CB -0.062 40.755 40.800 0.028 0.000 0.906 232 D HN 0.633 nan 8.370 nan 0.000 0.522 233 T N -3.760 110.829 114.554 0.058 0.000 2.858 233 T HA 0.340 4.690 4.350 -0.001 0.000 0.285 233 T C 1.043 175.766 174.700 0.037 0.000 1.052 233 T CA -0.791 61.353 62.100 0.074 0.000 1.009 233 T CB 2.163 71.154 68.868 0.205 0.000 1.241 233 T HN -0.320 nan 8.240 nan 0.000 0.542 234 K N -0.182 120.240 120.400 0.035 0.000 2.280 234 K HA 0.102 4.421 4.320 -0.001 0.000 0.202 234 K C 1.974 178.557 176.600 -0.029 0.000 1.047 234 K CA 0.730 57.019 56.287 0.004 0.000 0.942 234 K CB -0.417 32.086 32.500 0.005 0.000 0.739 234 K HN 0.437 nan 8.250 nan 0.000 0.457 235 L N 0.905 122.104 121.223 -0.041 0.000 2.191 235 L HA -0.206 4.134 4.340 -0.001 0.000 0.212 235 L C 0.976 177.753 176.870 -0.155 0.000 1.103 235 L CA 1.212 55.956 54.840 -0.161 0.000 0.769 235 L CB -0.327 41.514 42.059 -0.363 0.000 0.908 235 L HN 0.303 nan 8.230 nan 0.000 0.438 236 K N -1.280 119.064 120.400 -0.093 0.000 1.721 236 K HA -0.342 3.977 4.320 -0.001 0.000 0.121 236 K C 0.825 177.362 176.600 -0.104 0.000 1.152 236 K CA 1.562 57.804 56.287 -0.076 0.000 0.360 236 K CB -1.251 31.211 32.500 -0.063 0.000 0.626 236 K HN 0.302 nan 8.250 nan 0.000 0.878 237 A N 1.090 123.848 122.820 -0.102 0.000 2.545 237 A HA 0.134 4.453 4.320 -0.001 0.000 0.277 237 A C 0.486 177.975 177.584 -0.159 0.000 1.301 237 A CA 0.186 52.156 52.037 -0.112 0.000 0.935 237 A CB 0.146 19.102 19.000 -0.074 0.000 1.093 237 A HN 0.444 nan 8.150 nan 0.000 0.519 238 D N 0.256 120.535 120.400 -0.202 0.000 2.347 238 D HA 0.104 4.744 4.640 -0.001 0.000 0.213 238 D C 2.028 178.129 176.300 -0.332 0.000 0.985 238 D CA 0.982 54.854 54.000 -0.215 0.000 0.879 238 D CB 0.110 40.804 40.800 -0.177 0.000 0.919 238 D HN 0.436 nan 8.370 nan 0.000 0.526 239 A N 1.888 124.390 122.820 -0.531 0.000 1.883 239 A HA -0.130 4.189 4.320 -0.001 0.000 0.217 239 A C -0.160 176.961 177.584 -0.771 0.000 1.186 239 A CA 1.274 52.786 52.037 -0.875 0.000 0.624 239 A CB -1.455 16.451 19.000 -1.823 0.000 0.822 239 A HN 0.167 nan 8.150 nan 0.000 0.444 240 P HA -0.146 nan 4.420 nan 0.000 0.215 240 P C 1.733 178.920 177.300 -0.187 0.000 1.157 240 P CA 1.905 64.784 63.100 -0.368 0.000 0.874 240 P CB -0.367 31.349 31.700 0.027 0.000 0.790 241 G N -0.707 108.014 108.800 -0.131 0.000 2.408 241 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.217 241 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.217 241 G C 1.478 176.348 174.900 -0.050 0.000 1.150 241 G CA 0.485 45.556 45.100 -0.049 0.000 0.776 241 G HN 0.216 nan 8.290 nan 0.000 0.542 242 L N -0.040 121.100 121.223 -0.139 0.000 2.027 242 L HA 0.024 4.363 4.340 -0.001 0.000 0.206 242 L C 2.833 179.690 176.870 -0.022 0.000 1.074 242 L CA 0.718 55.498 54.840 -0.101 0.000 0.745 242 L CB -0.372 41.569 42.059 -0.196 0.000 0.898 242 L HN 0.171 nan 8.230 nan 0.000 0.433 243 I N -0.570 119.906 120.570 -0.156 0.000 2.226 243 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 243 I C 2.534 178.781 176.117 0.215 0.000 1.100 243 I CA 1.447 62.749 61.300 0.003 0.000 1.374 243 I CB -0.561 37.182 38.000 -0.430 0.000 1.057 243 I HN 0.246 nan 8.210 nan 0.000 0.413 244 T N 0.531 115.178 114.554 0.155 0.000 2.684 244 T HA -0.261 4.089 4.350 -0.001 0.000 0.267 244 T C 1.944 176.788 174.700 0.239 0.000 1.036 244 T CA 1.634 63.880 62.100 0.242 0.000 1.148 244 T CB -0.216 68.787 68.868 0.224 0.000 0.863 244 T HN 0.295 nan 8.240 nan 0.000 0.436 245 K N -0.512 120.026 120.400 0.230 0.000 2.026 245 K HA -0.172 4.147 4.320 -0.001 0.000 0.208 245 K C 2.193 179.046 176.600 0.421 0.000 1.048 245 K CA 1.590 58.056 56.287 0.299 0.000 0.929 245 K CB -0.300 32.330 32.500 0.216 0.000 0.713 245 K HN 0.466 nan 8.250 nan 0.000 0.439 246 W N 1.043 122.449 121.300 0.177 0.000 2.358 246 W HA -0.203 4.457 4.660 -0.001 0.000 0.303 246 W C 1.525 178.251 176.519 0.345 0.000 1.208 246 W CA 1.259 58.740 57.345 0.226 0.000 1.274 246 W CB -0.466 29.130 29.460 0.226 0.000 1.138 246 W HN -0.148 nan 8.180 nan 0.000 0.515 247 V N 1.431 121.425 119.914 0.134 0.000 2.343 247 V HA -0.332 3.788 4.120 -0.001 0.000 0.247 247 V C 2.414 178.560 176.094 0.085 0.000 1.051 247 V CA 2.069 64.314 62.300 -0.090 0.000 1.036 247 V CB -1.009 30.738 31.823 -0.126 0.000 0.654 247 V HN 0.256 nan 8.190 nan 0.000 0.451 248 L N -1.628 119.719 121.223 0.207 0.000 2.131 248 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 248 L C 2.343 179.394 176.870 0.303 0.000 1.092 248 L CA 1.470 56.451 54.840 0.234 0.000 0.759 248 L CB -0.531 41.657 42.059 0.214 0.000 0.903 248 L HN 0.254 nan 8.230 nan 0.000 0.435 249 F N 0.175 120.236 119.950 0.185 0.000 2.293 249 F HA -0.154 4.373 4.527 -0.001 0.000 0.300 249 F C 2.430 178.378 175.800 0.247 0.000 1.086 249 F CA 1.106 59.258 58.000 0.254 0.000 1.375 249 F CB -0.423 38.696 39.000 0.198 0.000 1.045 249 F HN 0.167 nan 8.300 nan 0.000 0.516 250 N N -0.162 118.704 118.700 0.278 0.000 2.207 250 N HA -0.010 4.730 4.740 -0.001 0.000 0.182 250 N C 1.625 177.298 175.510 0.273 0.000 1.020 250 N CA 1.084 54.278 53.050 0.241 0.000 0.858 250 N CB -0.019 38.590 38.487 0.204 0.000 0.991 250 N HN 0.290 nan 8.380 nan 0.000 0.427 251 L N 0.474 121.835 121.223 0.229 0.000 2.766 251 L HA 0.111 4.450 4.340 -0.001 0.000 0.242 251 L C 1.783 178.721 176.870 0.114 0.000 1.136 251 L CA 0.012 54.987 54.840 0.226 0.000 0.933 251 L CB -0.229 41.967 42.059 0.228 0.000 1.241 251 L HN 0.194 nan 8.230 nan 0.000 0.522 252 H N -0.280 118.861 119.070 0.118 0.000 2.426 252 H HA -0.103 4.453 4.556 -0.000 0.000 0.298 252 H C -1.066 174.311 175.328 0.082 0.000 1.107 252 H CA 1.146 57.227 56.048 0.056 0.000 1.298 252 H CB -1.855 27.879 29.762 -0.047 0.000 1.377 252 H HN 0.164 nan 8.280 nan 0.000 0.519 253 P HA -0.042 nan 4.420 nan 0.000 0.230 253 P C 0.619 177.923 177.300 0.007 0.000 1.158 253 P CA 1.078 64.054 63.100 -0.206 0.000 0.769 253 P CB 0.097 31.376 31.700 -0.701 0.000 0.807 254 L N -2.542 118.761 121.223 0.133 0.000 2.766 254 L HA 0.251 4.591 4.340 -0.001 0.000 0.242 254 L C 0.471 177.631 176.870 0.483 0.000 1.136 254 L CA -0.029 55.007 54.840 0.327 0.000 0.933 254 L CB 0.124 42.353 42.059 0.283 0.000 1.241 254 L HN -0.098 nan 8.230 nan 0.000 0.522 255 L N -0.976 120.454 121.223 0.346 0.000 2.354 255 L HA 0.495 4.834 4.340 -0.001 0.000 0.269 255 L C -0.168 176.792 176.870 0.150 0.000 1.005 255 L CA -0.370 54.645 54.840 0.290 0.000 0.819 255 L CB 2.298 44.477 42.059 0.201 0.000 1.311 255 L HN -0.176 nan 8.230 nan 0.000 0.423 256 S N 2.058 117.833 115.700 0.125 0.000 2.478 256 S HA 0.598 5.067 4.470 -0.001 0.000 0.312 256 S C 0.337 174.972 174.600 0.058 0.000 1.094 256 S CA -0.752 57.461 58.200 0.022 0.000 1.081 256 S CB 0.598 63.817 63.200 0.031 0.000 1.007 256 S HN 0.387 nan 8.310 nan 0.000 0.475 257 I N 3.837 124.421 120.570 0.023 0.000 3.852 257 I HA 0.331 4.501 4.170 -0.001 0.000 0.170 257 I C 2.074 178.215 176.117 0.041 0.000 1.534 257 I CA 0.225 61.544 61.300 0.032 0.000 0.791 257 I CB -1.054 36.952 38.000 0.010 0.000 1.878 257 I HN 0.781 nan 8.210 nan 0.000 0.942 258 G N 0.478 109.295 108.800 0.028 0.000 3.126 258 G HA2 0.325 4.285 3.960 -0.001 0.000 0.224 258 G HA3 0.325 4.285 3.960 -0.001 0.000 0.224 258 G C 0.615 175.527 174.900 0.020 0.000 1.142 258 G CA -0.192 44.927 45.100 0.032 0.000 0.759 258 G HN 0.210 nan 8.290 nan 0.000 0.550 259 L N 1.050 122.275 121.223 0.003 0.000 2.464 259 L HA 0.308 4.647 4.340 -0.001 0.000 0.264 259 L C -2.012 174.839 176.870 -0.031 0.000 1.199 259 L CA -1.831 52.994 54.840 -0.024 0.000 0.818 259 L CB 0.386 42.414 42.059 -0.051 0.000 1.102 259 L HN -0.104 nan 8.230 nan 0.000 0.473 260 P HA 0.126 nan 4.420 nan 0.000 0.272 260 P C 0.252 177.415 177.300 -0.230 0.000 1.230 260 P CA -0.492 62.525 63.100 -0.139 0.000 0.788 260 P CB 0.611 32.234 31.700 -0.129 0.000 0.949 261 R N 1.430 121.655 120.500 -0.459 0.000 2.133 261 R HA -0.202 4.138 4.340 -0.001 0.000 0.245 261 R C 1.676 177.778 176.300 -0.331 0.000 1.137 261 R CA 2.661 58.355 56.100 -0.676 0.000 0.947 261 R CB -1.031 28.683 30.300 -0.976 0.000 0.865 261 R HN 0.430 nan 8.270 nan 0.000 0.437 262 V N -1.793 117.966 119.914 -0.257 0.000 2.720 262 V HA -0.139 3.981 4.120 -0.001 0.000 0.256 262 V C 1.992 178.029 176.094 -0.096 0.000 1.082 262 V CA 1.645 63.854 62.300 -0.151 0.000 1.101 262 V CB -0.513 31.234 31.823 -0.126 0.000 0.693 262 V HN 0.286 nan 8.190 nan 0.000 0.479 263 I N -0.184 120.322 120.570 -0.107 0.000 2.556 263 I HA -0.014 4.156 4.170 -0.001 0.000 0.251 263 I C 2.798 178.855 176.117 -0.100 0.000 1.105 263 I CA 0.998 62.247 61.300 -0.084 0.000 1.436 263 I CB -0.331 37.622 38.000 -0.078 0.000 1.139 263 I HN 0.190 nan 8.210 nan 0.000 0.438 264 E N 0.929 121.050 120.200 -0.132 0.000 2.058 264 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 264 E C 2.046 178.499 176.600 -0.244 0.000 0.997 264 E CA 1.092 57.361 56.400 -0.220 0.000 0.801 264 E CB -0.038 29.540 29.700 -0.204 0.000 0.746 264 E HN 0.393 nan 8.360 nan 0.000 0.450 265 E N -0.077 120.085 120.200 -0.063 0.000 2.038 265 E HA -0.157 4.193 4.350 -0.001 0.000 0.195 265 E C -0.550 176.109 176.600 0.099 0.000 1.000 265 E CA 1.316 57.782 56.400 0.110 0.000 0.803 265 E CB -1.312 28.515 29.700 0.212 0.000 0.750 265 E HN 0.332 nan 8.360 nan 0.000 0.448 266 P HA -0.094 nan 4.420 nan 0.000 0.222 266 P C 1.772 179.131 177.300 0.099 0.000 1.153 266 P CA 0.836 64.009 63.100 0.121 0.000 0.798 266 P CB 0.033 31.790 31.700 0.096 0.000 0.796 267 L N 0.161 121.380 121.223 -0.006 0.000 2.162 267 L HA 0.098 4.437 4.340 -0.001 0.000 0.205 267 L C 2.091 178.891 176.870 -0.117 0.000 1.086 267 L CA 1.558 56.361 54.840 -0.062 0.000 0.778 267 L CB -0.564 41.431 42.059 -0.107 0.000 0.928 267 L HN -0.077 nan 8.230 nan 0.000 0.446 268 I N -6.700 113.780 120.570 -0.150 0.000 4.557 268 I HA 0.261 4.431 4.170 -0.001 0.000 0.333 268 I C 0.954 177.180 176.117 0.181 0.000 1.332 268 I CA -0.110 61.127 61.300 -0.104 0.000 1.240 268 I CB -0.046 37.838 38.000 -0.193 0.000 1.312 268 I HN -0.041 nan 8.210 nan 0.000 0.457 269 H N 0.678 119.784 119.070 0.061 0.000 2.652 269 H HA 0.390 4.946 4.556 -0.001 0.000 0.274 269 H C 1.180 176.517 175.328 0.015 0.000 1.021 269 H CA 0.495 56.559 56.048 0.027 0.000 1.187 269 H CB 0.655 30.422 29.762 0.008 0.000 1.505 269 H HN 0.274 nan 8.280 nan 0.000 0.530 270 T N -0.849 113.795 114.554 0.151 0.000 3.058 270 T HA 0.208 4.558 4.350 -0.001 0.000 0.247 270 T C 0.005 174.590 174.700 -0.191 0.000 0.987 270 T CA 0.335 62.417 62.100 -0.029 0.000 1.062 270 T CB 0.660 69.537 68.868 0.016 0.000 1.048 270 T HN -0.075 nan 8.240 nan 0.000 0.468 271 F N 0.928 120.982 119.950 0.173 0.000 2.611 271 F HA 0.576 5.102 4.527 -0.001 0.000 0.324 271 F C 0.211 176.108 175.800 0.161 0.000 1.061 271 F CA -1.218 56.871 58.000 0.149 0.000 0.954 271 F CB 1.490 40.540 39.000 0.083 0.000 1.301 271 F HN -0.243 nan 8.300 nan 0.000 0.482 272 S N 1.934 117.853 115.700 0.364 0.000 2.549 272 S HA 0.373 4.843 4.470 -0.001 0.000 0.279 272 S C -0.192 174.546 174.600 0.229 0.000 1.321 272 S CA -0.634 57.769 58.200 0.338 0.000 1.054 272 S CB 0.167 63.517 63.200 0.251 0.000 0.899 272 S HN 0.335 nan 8.310 nan 0.000 0.497 273 L N 5.121 126.419 121.223 0.125 0.000 2.456 273 L HA 0.224 4.563 4.340 -0.001 0.000 0.272 273 L C -1.779 175.182 176.870 0.152 0.000 1.189 273 L CA -1.633 53.134 54.840 -0.121 0.000 0.846 273 L CB -0.140 41.507 42.059 -0.688 0.000 1.111 273 L HN 0.382 nan 8.230 nan 0.000 0.475 274 P HA 0.129 nan 4.420 nan 0.000 0.271 274 P C -2.322 175.192 177.300 0.356 0.000 1.233 274 P CA -1.476 61.759 63.100 0.224 0.000 0.764 274 P CB 0.637 32.419 31.700 0.136 0.000 0.825 275 P HA -0.169 nan 4.420 nan 0.000 0.219 275 P C 1.469 178.807 177.300 0.063 0.000 1.146 275 P CA 1.502 64.722 63.100 0.200 0.000 0.808 275 P CB -0.236 31.545 31.700 0.136 0.000 0.779 276 A N -0.338 122.524 122.820 0.069 0.000 1.978 276 A HA -0.175 4.144 4.320 -0.001 0.000 0.220 276 A C 2.032 179.618 177.584 0.003 0.000 1.170 276 A CA 1.346 53.400 52.037 0.027 0.000 0.636 276 A CB -1.603 17.417 19.000 0.033 0.000 0.810 276 A HN 0.180 nan 8.150 nan 0.000 0.448 277 L N -1.148 120.094 121.223 0.032 0.000 2.465 277 L HA -0.010 4.330 4.340 -0.001 0.000 0.224 277 L C 1.828 178.571 176.870 -0.211 0.000 1.145 277 L CA 0.492 55.336 54.840 0.008 0.000 0.834 277 L CB 0.009 42.203 42.059 0.224 0.000 0.944 277 L HN 0.313 nan 8.230 nan 0.000 0.451 278 V N -1.452 118.219 119.914 -0.404 0.000 3.477 278 V HA 0.059 4.178 4.120 -0.001 0.000 0.297 278 V C 2.013 178.045 176.094 -0.104 0.000 1.433 278 V CA 0.149 62.203 62.300 -0.410 0.000 1.052 278 V CB 0.160 31.457 31.823 -0.877 0.000 0.895 278 V HN 0.187 nan 8.190 nan 0.000 0.438 279 K N 1.367 121.732 120.400 -0.058 0.000 2.032 279 K HA -0.139 4.180 4.320 -0.001 0.000 0.209 279 K C 2.352 178.988 176.600 0.061 0.000 1.048 279 K CA 2.031 58.328 56.287 0.017 0.000 0.927 279 K CB -0.457 32.044 32.500 0.002 0.000 0.712 279 K HN 0.705 nan 8.250 nan 0.000 0.441 280 S N 0.646 116.360 115.700 0.022 0.000 2.383 280 S HA -0.117 4.352 4.470 -0.001 0.000 0.227 280 S C 1.522 176.133 174.600 0.019 0.000 1.026 280 S CA 1.199 59.412 58.200 0.022 0.000 0.981 280 S CB -0.156 63.047 63.200 0.006 0.000 0.818 280 S HN 0.152 nan 8.310 nan 0.000 0.472 281 D N 0.670 121.076 120.400 0.010 0.000 2.097 281 D HA -0.065 4.575 4.640 -0.001 0.000 0.195 281 D C 1.620 177.915 176.300 -0.008 0.000 0.989 281 D CA 1.291 55.288 54.000 -0.005 0.000 0.827 281 D CB -0.696 40.102 40.800 -0.003 0.000 0.966 281 D HN 0.546 nan 8.370 nan 0.000 0.456 282 Y N 1.254 121.493 120.300 -0.102 0.000 2.151 282 Y HA -0.303 4.247 4.550 -0.001 0.000 0.284 282 Y C 2.410 178.275 175.900 -0.059 0.000 1.166 282 Y CA 1.935 59.933 58.100 -0.171 0.000 1.163 282 Y CB -0.144 38.208 38.460 -0.181 0.000 0.974 282 Y HN -0.093 nan 8.280 nan 0.000 0.511 283 Q N 0.505 120.363 119.800 0.098 0.000 2.124 283 Q HA -0.171 4.169 4.340 -0.001 0.000 0.202 283 Q C 2.193 178.213 176.000 0.034 0.000 0.977 283 Q CA 1.749 57.600 55.803 0.080 0.000 0.850 283 Q CB -0.186 28.598 28.738 0.077 0.000 0.901 283 Q HN 0.435 nan 8.270 nan 0.000 0.429 284 R N -0.530 119.959 120.500 -0.018 0.000 2.073 284 R HA -0.103 4.236 4.340 -0.001 0.000 0.234 284 R C 2.338 178.609 176.300 -0.048 0.000 1.134 284 R CA 1.564 57.643 56.100 -0.035 0.000 0.952 284 R CB -0.453 29.805 30.300 -0.070 0.000 0.850 284 R HN 0.312 nan 8.270 nan 0.000 0.433 285 L N -0.798 120.348 121.223 -0.128 0.000 2.017 285 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 285 L C 2.435 179.343 176.870 0.063 0.000 1.073 285 L CA 1.344 56.132 54.840 -0.087 0.000 0.745 285 L CB -0.615 41.277 42.059 -0.278 0.000 0.894 285 L HN 0.176 nan 8.230 nan 0.000 0.432 286 Y N 1.020 121.164 120.300 -0.260 0.000 2.128 286 Y HA -0.353 4.196 4.550 -0.001 0.000 0.284 286 Y C 2.704 178.571 175.900 -0.054 0.000 1.154 286 Y CA 2.184 60.168 58.100 -0.194 0.000 1.149 286 Y CB -0.146 38.168 38.460 -0.243 0.000 0.976 286 Y HN 0.220 nan 8.280 nan 0.000 0.505 287 E N -0.522 119.736 120.200 0.096 0.000 2.049 287 E HA -0.326 4.023 4.350 -0.001 0.000 0.198 287 E C 2.191 178.734 176.600 -0.094 0.000 1.007 287 E CA 1.726 58.137 56.400 0.019 0.000 0.809 287 E CB -0.652 29.082 29.700 0.057 0.000 0.749 287 E HN 0.523 nan 8.360 nan 0.000 0.450 288 F N 0.276 120.110 119.950 -0.194 0.000 2.065 288 F HA -0.249 4.278 4.527 -0.001 0.000 0.298 288 F C 1.851 177.379 175.800 -0.455 0.000 1.112 288 F CA 1.873 59.688 58.000 -0.307 0.000 1.212 288 F CB -0.487 38.298 39.000 -0.358 0.000 0.975 288 F HN 0.052 nan 8.300 nan 0.000 0.476 289 F N -0.372 119.388 119.950 -0.316 0.000 2.146 289 F HA -0.150 4.376 4.527 -0.001 0.000 0.298 289 F C 2.198 177.625 175.800 -0.621 0.000 1.096 289 F CA 1.227 58.897 58.000 -0.550 0.000 1.275 289 F CB -1.068 37.687 39.000 -0.407 0.000 1.008 289 F HN 0.043 nan 8.300 nan 0.000 0.480 290 L N 0.518 121.461 121.223 -0.468 0.000 2.013 290 L HA -0.232 4.108 4.340 -0.001 0.000 0.212 290 L C 2.069 178.739 176.870 -0.334 0.000 1.073 290 L CA 1.983 56.562 54.840 -0.436 0.000 0.753 290 L CB -0.707 41.078 42.059 -0.457 0.000 0.890 290 L HN 0.162 nan 8.230 nan 0.000 0.432 291 E N -1.536 118.451 120.200 -0.355 0.000 2.285 291 E HA -0.072 4.278 4.350 -0.001 0.000 0.194 291 E C 1.865 178.242 176.600 -0.371 0.000 0.997 291 E CA 1.021 57.238 56.400 -0.304 0.000 0.845 291 E CB 0.078 29.626 29.700 -0.252 0.000 0.782 291 E HN 0.489 nan 8.360 nan 0.000 0.491 292 S N 0.160 115.511 115.700 -0.581 0.000 2.502 292 S HA 0.157 4.626 4.470 -0.001 0.000 0.215 292 S C 1.470 175.838 174.600 -0.386 0.000 1.009 292 S CA 0.186 58.030 58.200 -0.594 0.000 0.908 292 S CB 0.877 63.414 63.200 -1.106 0.000 0.801 292 S HN 0.208 nan 8.310 nan 0.000 0.505 293 A N 1.452 124.043 122.820 -0.382 0.000 2.532 293 A HA 0.584 4.904 4.320 -0.001 0.000 0.273 293 A C 1.809 179.370 177.584 -0.038 0.000 1.342 293 A CA 0.283 52.212 52.037 -0.180 0.000 0.929 293 A CB -0.835 18.012 19.000 -0.254 0.000 1.051 293 A HN 0.403 nan 8.150 nan 0.000 0.521 294 G N 0.336 109.100 108.800 -0.059 0.000 2.529 294 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.219 294 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.219 294 G C 1.341 176.252 174.900 0.018 0.000 1.177 294 G CA 1.240 46.321 45.100 -0.032 0.000 0.773 294 G HN 0.629 nan 8.290 nan 0.000 0.573 295 E N -0.328 119.908 120.200 0.060 0.000 2.085 295 E HA -0.127 4.223 4.350 -0.001 0.000 0.194 295 E C 2.560 179.253 176.600 0.155 0.000 0.994 295 E CA 0.796 57.258 56.400 0.103 0.000 0.801 295 E CB -0.061 29.711 29.700 0.121 0.000 0.743 295 E HN 0.357 nan 8.360 nan 0.000 0.453 296 I N 0.866 121.543 120.570 0.178 0.000 2.315 296 I HA -0.240 3.930 4.170 -0.001 0.000 0.248 296 I C 2.310 178.459 176.117 0.053 0.000 1.117 296 I CA 1.110 62.530 61.300 0.200 0.000 1.404 296 I CB -1.052 37.081 38.000 0.222 0.000 1.071 296 I HN 0.241 nan 8.210 nan 0.000 0.419 297 L N -0.175 121.058 121.223 0.016 0.000 2.201 297 L HA -0.141 4.198 4.340 -0.001 0.000 0.212 297 L C 2.601 179.439 176.870 -0.053 0.000 1.105 297 L CA 0.493 55.311 54.840 -0.036 0.000 0.775 297 L CB -0.525 41.502 42.059 -0.053 0.000 0.913 297 L HN 0.028 nan 8.230 nan 0.000 0.440 298 V N 0.025 119.914 119.914 -0.042 0.000 2.343 298 V HA -0.282 3.837 4.120 -0.001 0.000 0.247 298 V C 2.526 178.542 176.094 -0.131 0.000 1.051 298 V CA 2.035 64.298 62.300 -0.062 0.000 1.036 298 V CB -0.348 31.458 31.823 -0.029 0.000 0.654 298 V HN 0.448 nan 8.190 nan 0.000 0.451 299 E N 0.685 120.753 120.200 -0.220 0.000 2.106 299 E HA -0.156 4.194 4.350 -0.001 0.000 0.192 299 E C 2.109 178.552 176.600 -0.262 0.000 0.984 299 E CA 1.505 57.655 56.400 -0.416 0.000 0.806 299 E CB -0.449 28.672 29.700 -0.965 0.000 0.750 299 E HN 0.507 nan 8.360 nan 0.000 0.458 300 A N 1.036 123.755 122.820 -0.168 0.000 1.883 300 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 300 A C 1.904 179.430 177.584 -0.098 0.000 1.186 300 A CA 2.041 54.008 52.037 -0.117 0.000 0.624 300 A CB -0.937 18.011 19.000 -0.086 0.000 0.822 300 A HN 0.327 nan 8.150 nan 0.000 0.444 301 D N -0.192 120.156 120.400 -0.087 0.000 2.133 301 D HA -0.177 4.462 4.640 -0.001 0.000 0.192 301 D C 1.895 178.152 176.300 -0.072 0.000 1.001 301 D CA 1.776 55.736 54.000 -0.067 0.000 0.844 301 D CB -0.350 40.416 40.800 -0.058 0.000 0.944 301 D HN 0.535 nan 8.370 nan 0.000 0.447 302 K N -0.053 120.288 120.400 -0.098 0.000 2.097 302 K HA -0.005 4.314 4.320 -0.001 0.000 0.206 302 K C 2.101 178.650 176.600 -0.085 0.000 1.049 302 K CA 0.460 56.690 56.287 -0.094 0.000 0.933 302 K CB -0.085 32.339 32.500 -0.127 0.000 0.717 302 K HN 0.141 nan 8.250 nan 0.000 0.442 303 L N -0.303 120.860 121.223 -0.100 0.000 2.552 303 L HA 0.031 4.370 4.340 -0.001 0.000 0.227 303 L C 0.999 177.836 176.870 -0.055 0.000 1.146 303 L CA 0.464 55.255 54.840 -0.081 0.000 0.858 303 L CB -0.080 41.920 42.059 -0.098 0.000 0.969 303 L HN 0.485 nan 8.230 nan 0.000 0.451 304 G N 0.712 109.483 108.800 -0.049 0.000 2.136 304 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.242 304 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.242 304 G C 0.094 174.977 174.900 -0.027 0.000 0.989 304 G CA -0.175 44.906 45.100 -0.031 0.000 0.682 304 G HN 0.286 nan 8.290 nan 0.000 0.522 305 I N 1.799 122.345 120.570 -0.040 0.000 2.392 305 I HA 0.460 4.629 4.170 -0.001 0.000 0.295 305 I C 1.237 177.334 176.117 -0.033 0.000 0.985 305 I CA -0.427 60.849 61.300 -0.040 0.000 1.221 305 I CB 1.735 39.696 38.000 -0.065 0.000 1.366 305 I HN 0.325 nan 8.210 nan 0.000 0.467 306 S N 5.529 121.221 115.700 -0.014 0.000 2.579 306 S HA 0.221 4.691 4.470 -0.001 0.000 0.275 306 S C 1.035 175.620 174.600 -0.026 0.000 1.345 306 S CA -0.430 57.770 58.200 0.001 0.000 1.031 306 S CB 1.011 64.241 63.200 0.050 0.000 0.892 306 S HN 0.633 nan 8.310 nan 0.000 0.529 307 R N 0.747 121.237 120.500 -0.016 0.000 2.115 307 R HA -0.095 4.245 4.340 -0.001 0.000 0.230 307 R C 2.347 178.628 176.300 -0.031 0.000 1.111 307 R CA 1.503 57.581 56.100 -0.038 0.000 0.976 307 R CB -0.365 29.914 30.300 -0.034 0.000 0.870 307 R HN 0.931 nan 8.270 nan 0.000 0.445 308 E N 1.357 121.581 120.200 0.040 0.000 2.031 308 E HA -0.262 4.088 4.350 -0.001 0.000 0.193 308 E C 1.890 178.488 176.600 -0.005 0.000 0.994 308 E CA 1.470 57.944 56.400 0.123 0.000 0.800 308 E CB 0.051 29.894 29.700 0.239 0.000 0.752 308 E HN 0.310 nan 8.360 nan 0.000 0.447 309 E N -0.097 119.988 120.200 -0.191 0.000 2.085 309 E HA -0.226 4.123 4.350 -0.001 0.000 0.194 309 E C 1.935 178.375 176.600 -0.267 0.000 0.994 309 E CA 1.165 57.227 56.400 -0.564 0.000 0.801 309 E CB -0.205 29.172 29.700 -0.537 0.000 0.743 309 E HN 0.361 nan 8.360 nan 0.000 0.453 310 A N 0.184 122.907 122.820 -0.161 0.000 1.883 310 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 310 A C 2.413 179.925 177.584 -0.120 0.000 1.186 310 A CA 2.177 54.142 52.037 -0.120 0.000 0.624 310 A CB -1.063 17.879 19.000 -0.096 0.000 0.822 310 A HN 0.366 nan 8.150 nan 0.000 0.444 311 T N -0.813 113.644 114.554 -0.162 0.000 2.708 311 T HA -0.140 4.209 4.350 -0.001 0.000 0.266 311 T C 1.707 176.286 174.700 -0.201 0.000 1.037 311 T CA 1.885 63.825 62.100 -0.266 0.000 1.146 311 T CB -0.499 68.053 68.868 -0.527 0.000 0.865 311 T HN 0.744 nan 8.240 nan 0.000 0.435 312 H N 0.918 120.024 119.070 0.060 0.000 2.387 312 H HA -0.026 4.530 4.556 -0.001 0.000 0.299 312 H C 2.357 177.728 175.328 0.072 0.000 1.099 312 H CA 1.508 57.647 56.048 0.152 0.000 1.315 312 H CB -0.101 29.777 29.762 0.193 0.000 1.380 312 H HN 0.321 nan 8.280 nan 0.000 0.513 313 N N -0.220 118.524 118.700 0.074 0.000 2.216 313 N HA -0.053 4.686 4.740 -0.001 0.000 0.183 313 N C 1.497 177.024 175.510 0.029 0.000 1.017 313 N CA 0.526 53.598 53.050 0.037 0.000 0.861 313 N CB 0.072 38.526 38.487 -0.055 0.000 0.986 313 N HN 0.205 nan 8.380 nan 0.000 0.428 314 L N 0.374 121.566 121.223 -0.052 0.000 2.027 314 L HA -0.113 4.227 4.340 -0.001 0.000 0.206 314 L C 2.239 178.929 176.870 -0.300 0.000 1.074 314 L CA 0.809 55.606 54.840 -0.072 0.000 0.745 314 L CB -0.505 41.544 42.059 -0.017 0.000 0.898 314 L HN 0.260 nan 8.230 nan 0.000 0.433 315 L N -0.881 119.975 121.223 -0.612 0.000 2.012 315 L HA -0.299 4.041 4.340 -0.001 0.000 0.210 315 L C 2.578 179.302 176.870 -0.243 0.000 1.073 315 L CA 1.660 55.892 54.840 -1.014 0.000 0.748 315 L CB -0.275 41.353 42.059 -0.718 0.000 0.891 315 L HN 0.111 nan 8.230 nan 0.000 0.431 316 F N 0.202 120.144 119.950 -0.014 0.000 2.102 316 F HA -0.226 4.301 4.527 -0.001 0.000 0.298 316 F C 2.403 178.368 175.800 0.275 0.000 1.105 316 F CA 1.607 59.784 58.000 0.295 0.000 1.239 316 F CB -0.271 38.889 39.000 0.268 0.000 0.991 316 F HN 0.166 nan 8.300 nan 0.000 0.474 317 A N -0.825 122.217 122.820 0.370 0.000 1.933 317 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 317 A C 2.129 179.898 177.584 0.309 0.000 1.175 317 A CA 2.212 54.426 52.037 0.294 0.000 0.628 317 A CB -1.278 17.806 19.000 0.139 0.000 0.814 317 A HN 0.427 nan 8.150 nan 0.000 0.444 318 T N -1.275 113.451 114.554 0.287 0.000 2.809 318 T HA -0.111 4.238 4.350 -0.001 0.000 0.260 318 T C 1.905 176.886 174.700 0.469 0.000 1.039 318 T CA 1.543 63.907 62.100 0.441 0.000 1.141 318 T CB -0.455 68.781 68.868 0.613 0.000 0.869 318 T HN 0.567 nan 8.240 nan 0.000 0.437 319 C N -0.112 119.420 119.300 0.386 0.000 2.538 319 C HA 0.328 4.787 4.460 -0.001 0.000 0.281 319 C C 2.264 177.561 174.990 0.511 0.000 1.320 319 C CA -0.525 58.756 59.018 0.439 0.000 1.714 319 C CB -1.084 26.823 27.740 0.279 0.000 2.095 319 C HN 0.527 nan 8.230 nan 0.000 0.497 320 F N 2.056 122.153 119.950 0.245 0.000 2.104 320 F HA 0.005 4.531 4.527 -0.001 0.000 0.288 320 F C 2.151 178.059 175.800 0.181 0.000 1.107 320 F CA 1.791 59.827 58.000 0.059 0.000 1.208 320 F CB -0.366 38.203 39.000 -0.718 0.000 1.033 320 F HN 0.179 nan 8.300 nan 0.000 0.478 321 N N -0.740 118.288 118.700 0.547 0.000 2.039 321 N HA -0.157 4.582 4.740 -0.001 0.000 0.193 321 N C 1.536 177.291 175.510 0.409 0.000 1.044 321 N CA 2.335 55.698 53.050 0.523 0.000 0.847 321 N CB -0.515 38.237 38.487 0.442 0.000 1.030 321 N HN 0.196 nan 8.380 nan 0.000 0.422 322 T N -0.657 114.133 114.554 0.394 0.000 2.706 322 T HA -0.121 4.229 4.350 -0.001 0.000 0.255 322 T C 1.389 176.282 174.700 0.322 0.000 1.048 322 T CA 0.808 63.127 62.100 0.366 0.000 1.153 322 T CB -0.647 68.453 68.868 0.387 0.000 0.865 322 T HN 0.385 nan 8.240 nan 0.000 0.414 323 W N 1.995 123.413 121.300 0.197 0.000 2.358 323 W HA -0.012 4.647 4.660 -0.001 0.000 0.303 323 W C 2.435 179.000 176.519 0.076 0.000 1.208 323 W CA 1.338 58.771 57.345 0.146 0.000 1.274 323 W CB -0.776 28.830 29.460 0.243 0.000 1.138 323 W HN 0.300 nan 8.180 nan 0.000 0.515 324 G N 0.069 109.013 108.800 0.240 0.000 2.418 324 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.217 324 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.217 324 G C 1.687 176.532 174.900 -0.092 0.000 1.158 324 G CA 1.126 46.208 45.100 -0.031 0.000 0.771 324 G HN 0.503 nan 8.290 nan 0.000 0.545 325 G N 0.769 109.596 108.800 0.047 0.000 2.440 325 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.218 325 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.218 325 G C 1.897 176.752 174.900 -0.075 0.000 1.154 325 G CA 1.043 46.179 45.100 0.060 0.000 0.767 325 G HN 0.431 nan 8.290 nan 0.000 0.552 326 M N -0.046 119.442 119.600 -0.186 0.000 2.254 326 M HA 0.065 4.545 4.480 -0.001 0.000 0.265 326 M C 2.439 178.470 176.300 -0.450 0.000 1.066 326 M CA 1.190 56.227 55.300 -0.438 0.000 1.123 326 M CB -0.127 32.109 32.600 -0.607 0.000 1.388 326 M HN 0.192 nan 8.290 nan 0.000 0.425 327 K N 1.274 121.364 120.400 -0.517 0.000 2.103 327 K HA -0.157 4.163 4.320 -0.001 0.000 0.207 327 K C 1.564 178.031 176.600 -0.222 0.000 1.048 327 K CA 1.417 57.398 56.287 -0.511 0.000 0.930 327 K CB -0.066 31.968 32.500 -0.777 0.000 0.716 327 K HN 0.300 nan 8.250 nan 0.000 0.444 328 I N 0.386 120.871 120.570 -0.141 0.000 2.277 328 I HA -0.209 3.961 4.170 -0.001 0.000 0.243 328 I C 2.234 178.371 176.117 0.035 0.000 1.094 328 I CA 0.337 61.621 61.300 -0.027 0.000 1.393 328 I CB -0.196 37.809 38.000 0.008 0.000 1.078 328 I HN 0.171 nan 8.210 nan 0.000 0.417 329 L N 0.404 121.647 121.223 0.033 0.000 2.005 329 L HA -0.160 4.180 4.340 -0.001 0.000 0.207 329 L C 2.276 179.298 176.870 0.253 0.000 1.072 329 L CA 2.012 56.923 54.840 0.120 0.000 0.744 329 L CB -0.724 41.390 42.059 0.093 0.000 0.895 329 L HN 0.002 nan 8.230 nan 0.000 0.433 330 F N 0.256 120.162 119.950 -0.074 0.000 2.102 330 F HA -0.046 4.481 4.527 -0.001 0.000 0.298 330 F C -0.173 175.679 175.800 0.088 0.000 1.105 330 F CA 1.029 58.962 58.000 -0.112 0.000 1.239 330 F CB -2.512 36.295 39.000 -0.322 0.000 0.991 330 F HN 0.193 nan 8.300 nan 0.000 0.474 331 P HA -0.136 nan 4.420 nan 0.000 0.216 331 P C 1.092 178.448 177.300 0.093 0.000 1.153 331 P CA 1.788 65.026 63.100 0.229 0.000 0.848 331 P CB -0.181 31.654 31.700 0.225 0.000 0.787 332 N N -1.067 117.699 118.700 0.109 0.000 2.104 332 N HA -0.146 4.593 4.740 -0.001 0.000 0.190 332 N C 1.728 177.279 175.510 0.068 0.000 1.024 332 N CA 1.163 54.264 53.050 0.086 0.000 0.853 332 N CB -0.380 38.170 38.487 0.105 0.000 1.008 332 N HN 0.127 nan 8.380 nan 0.000 0.424 333 M N 0.282 119.947 119.600 0.107 0.000 2.086 333 M HA -0.140 4.339 4.480 -0.001 0.000 0.261 333 M C 2.172 178.516 176.300 0.073 0.000 1.067 333 M CA 1.171 56.538 55.300 0.112 0.000 1.116 333 M CB -0.261 32.447 32.600 0.179 0.000 1.348 333 M HN 0.013 nan 8.290 nan 0.000 0.407 334 V N 0.723 120.650 119.914 0.021 0.000 2.287 334 V HA -0.312 3.807 4.120 -0.001 0.000 0.248 334 V C 2.364 178.475 176.094 0.028 0.000 1.053 334 V CA 2.137 64.385 62.300 -0.086 0.000 1.027 334 V CB -0.800 30.715 31.823 -0.514 0.000 0.646 334 V HN 0.477 nan 8.190 nan 0.000 0.447 335 K N -0.314 120.068 120.400 -0.031 0.000 2.002 335 K HA -0.196 4.124 4.320 -0.001 0.000 0.209 335 K C 2.444 179.001 176.600 -0.072 0.000 1.048 335 K CA 1.383 57.655 56.287 -0.025 0.000 0.930 335 K CB -0.084 32.406 32.500 -0.017 0.000 0.714 335 K HN 0.213 nan 8.250 nan 0.000 0.438 336 R N 0.533 120.934 120.500 -0.165 0.000 2.073 336 R HA -0.000 4.339 4.340 -0.001 0.000 0.229 336 R C 2.355 178.324 176.300 -0.553 0.000 1.120 336 R CA 1.126 56.927 56.100 -0.498 0.000 0.967 336 R CB -0.605 29.216 30.300 -0.797 0.000 0.862 336 R HN 0.362 nan 8.270 nan 0.000 0.436 337 I N 0.129 120.576 120.570 -0.205 0.000 2.252 337 I HA -0.148 4.022 4.170 -0.001 0.000 0.245 337 I C 2.486 178.695 176.117 0.153 0.000 1.102 337 I CA 1.385 62.726 61.300 0.067 0.000 1.385 337 I CB -0.766 37.396 38.000 0.270 0.000 1.064 337 I HN 0.215 nan 8.210 nan 0.000 0.414 338 G N 1.007 109.886 108.800 0.131 0.000 2.491 338 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.218 338 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.218 338 G C 1.778 176.643 174.900 -0.059 0.000 1.180 338 G CA 0.700 45.805 45.100 0.008 0.000 0.774 338 G HN 0.317 nan 8.290 nan 0.000 0.562 339 R N 0.511 120.955 120.500 -0.092 0.000 2.280 339 R HA 0.199 4.539 4.340 -0.001 0.000 0.207 339 R C 2.814 179.020 176.300 -0.157 0.000 1.043 339 R CA 0.592 56.612 56.100 -0.134 0.000 1.006 339 R CB -0.157 30.066 30.300 -0.129 0.000 0.885 339 R HN 0.363 nan 8.270 nan 0.000 0.467 340 A N 1.038 123.779 122.820 -0.132 0.000 2.067 340 A HA 0.136 4.456 4.320 -0.001 0.000 0.219 340 A C 1.056 178.522 177.584 -0.196 0.000 1.158 340 A CA 1.193 53.190 52.037 -0.067 0.000 0.661 340 A CB -0.303 18.761 19.000 0.106 0.000 0.801 340 A HN 0.443 nan 8.150 nan 0.000 0.452 341 G N -2.858 105.698 108.800 -0.407 0.000 2.612 341 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.686 341 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.686 341 G C 0.016 174.466 174.900 -0.749 0.000 1.274 341 G CA 0.048 44.810 45.100 -0.563 0.000 0.849 341 G HN 0.572 nan 8.290 nan 0.000 0.595 342 H N 0.263 119.014 119.070 -0.532 0.000 2.457 342 H HA -0.033 4.523 4.556 -0.001 0.000 0.294 342 H C 2.751 177.952 175.328 -0.212 0.000 1.064 342 H CA 1.703 57.514 56.048 -0.394 0.000 1.330 342 H CB 0.272 29.923 29.762 -0.184 0.000 1.395 342 H HN 0.514 nan 8.280 nan 0.000 0.541 343 Q N 0.380 120.131 119.800 -0.082 0.000 2.079 343 Q HA -0.090 4.250 4.340 -0.001 0.000 0.200 343 Q C 2.501 178.459 176.000 -0.070 0.000 0.974 343 Q CA 1.123 56.892 55.803 -0.058 0.000 0.840 343 Q CB -0.053 28.647 28.738 -0.064 0.000 0.898 343 Q HN 0.247 nan 8.270 nan 0.000 0.430 344 V N 0.497 120.352 119.914 -0.099 0.000 2.343 344 V HA -0.309 3.811 4.120 -0.001 0.000 0.247 344 V C 1.873 177.922 176.094 -0.075 0.000 1.051 344 V CA 2.080 64.335 62.300 -0.074 0.000 1.036 344 V CB -0.656 31.146 31.823 -0.035 0.000 0.654 344 V HN 0.510 nan 8.190 nan 0.000 0.451 345 H N 0.058 119.023 119.070 -0.175 0.000 2.319 345 H HA -0.167 4.388 4.556 -0.001 0.000 0.299 345 H C 2.350 177.514 175.328 -0.273 0.000 1.092 345 H CA 1.469 57.364 56.048 -0.255 0.000 1.302 345 H CB -0.028 29.790 29.762 0.094 0.000 1.373 345 H HN 0.415 nan 8.280 nan 0.000 0.497 346 N N 0.828 119.539 118.700 0.018 0.000 2.104 346 N HA -0.116 4.623 4.740 -0.001 0.000 0.190 346 N C 1.878 177.339 175.510 -0.082 0.000 1.024 346 N CA 0.914 53.954 53.050 -0.017 0.000 0.853 346 N CB -0.257 38.231 38.487 0.001 0.000 1.008 346 N HN 0.382 nan 8.380 nan 0.000 0.424 347 R N 0.421 120.856 120.500 -0.108 0.000 2.092 347 R HA 0.049 4.388 4.340 -0.001 0.000 0.231 347 R C 2.265 178.464 176.300 -0.168 0.000 1.119 347 R CA 0.612 56.645 56.100 -0.112 0.000 0.970 347 R CB -0.438 29.805 30.300 -0.095 0.000 0.864 347 R HN 0.235 nan 8.270 nan 0.000 0.440 348 L N 0.272 121.314 121.223 -0.302 0.000 2.017 348 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 348 L C 2.747 179.430 176.870 -0.312 0.000 1.073 348 L CA 1.311 55.900 54.840 -0.419 0.000 0.745 348 L CB -0.635 40.901 42.059 -0.872 0.000 0.894 348 L HN 0.211 nan 8.230 nan 0.000 0.432 349 A N 0.027 122.675 122.820 -0.287 0.000 1.883 349 A HA -0.297 4.022 4.320 -0.001 0.000 0.217 349 A C 2.178 179.739 177.584 -0.038 0.000 1.186 349 A CA 2.168 54.182 52.037 -0.038 0.000 0.624 349 A CB -0.570 18.471 19.000 0.070 0.000 0.822 349 A HN 0.443 nan 8.150 nan 0.000 0.444 350 E N 0.204 120.370 120.200 -0.057 0.000 2.051 350 E HA -0.221 4.129 4.350 -0.001 0.000 0.192 350 E C 1.979 178.555 176.600 -0.041 0.000 0.991 350 E CA 1.869 58.244 56.400 -0.040 0.000 0.799 350 E CB -0.364 29.312 29.700 -0.039 0.000 0.748 350 E HN 0.714 nan 8.360 nan 0.000 0.449 351 E N -0.049 120.116 120.200 -0.057 0.000 2.031 351 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 351 E C 2.232 178.810 176.600 -0.037 0.000 0.994 351 E CA 1.656 58.027 56.400 -0.048 0.000 0.800 351 E CB -0.286 29.378 29.700 -0.061 0.000 0.752 351 E HN 0.406 nan 8.360 nan 0.000 0.447 352 I N 0.817 121.362 120.570 -0.041 0.000 2.163 352 I HA -0.306 3.863 4.170 -0.001 0.000 0.243 352 I C 2.763 178.871 176.117 -0.015 0.000 1.085 352 I CA 1.369 62.655 61.300 -0.024 0.000 1.347 352 I CB -0.306 37.688 38.000 -0.009 0.000 1.044 352 I HN 0.116 nan 8.210 nan 0.000 0.408 353 R N -0.048 120.443 120.500 -0.014 0.000 2.092 353 R HA -0.110 4.229 4.340 -0.001 0.000 0.231 353 R C 2.485 178.778 176.300 -0.012 0.000 1.119 353 R CA 1.528 57.620 56.100 -0.013 0.000 0.970 353 R CB -0.708 29.584 30.300 -0.014 0.000 0.864 353 R HN 0.317 nan 8.270 nan 0.000 0.440 354 S N 0.826 116.518 115.700 -0.014 0.000 2.356 354 S HA -0.105 4.365 4.470 -0.001 0.000 0.223 354 S C 2.106 176.701 174.600 -0.008 0.000 1.032 354 S CA 1.295 59.488 58.200 -0.012 0.000 1.005 354 S CB -0.121 63.070 63.200 -0.015 0.000 0.867 354 S HN 0.115 nan 8.310 nan 0.000 0.449 355 V N 1.737 121.645 119.914 -0.009 0.000 2.427 355 V HA -0.086 4.034 4.120 -0.001 0.000 0.248 355 V C 2.280 178.375 176.094 0.001 0.000 1.051 355 V CA 1.778 64.076 62.300 -0.004 0.000 1.048 355 V CB -0.576 31.245 31.823 -0.004 0.000 0.666 355 V HN 0.513 nan 8.190 nan 0.000 0.456 356 I N -0.169 120.401 120.570 0.001 0.000 2.252 356 I HA -0.238 3.931 4.170 -0.001 0.000 0.245 356 I C 2.559 178.679 176.117 0.004 0.000 1.102 356 I CA 1.649 62.953 61.300 0.007 0.000 1.385 356 I CB -0.395 37.610 38.000 0.008 0.000 1.064 356 I HN 0.267 nan 8.210 nan 0.000 0.414 357 K N 0.916 121.316 120.400 -0.001 0.000 2.026 357 K HA -0.177 4.143 4.320 -0.001 0.000 0.208 357 K C 2.224 178.824 176.600 -0.001 0.000 1.048 357 K CA 1.888 58.174 56.287 -0.002 0.000 0.929 357 K CB -0.041 32.456 32.500 -0.005 0.000 0.713 357 K HN 0.116 nan 8.250 nan 0.000 0.439 358 S N 0.980 116.679 115.700 -0.001 0.000 2.419 358 S HA -0.111 4.359 4.470 -0.001 0.000 0.233 358 S C 1.402 176.002 174.600 0.000 0.000 1.016 358 S CA 1.234 59.434 58.200 -0.001 0.000 0.974 358 S CB -0.296 62.903 63.200 -0.002 0.000 0.786 358 S HN 0.396 nan 8.310 nan 0.000 0.492 359 N N 0.449 119.151 118.700 0.002 0.000 2.461 359 N HA 0.099 4.838 4.740 -0.001 0.000 0.188 359 N C 0.922 176.433 175.510 0.002 0.000 1.134 359 N CA 0.713 53.765 53.050 0.003 0.000 0.878 359 N CB 0.032 38.523 38.487 0.008 0.000 0.972 359 N HN 0.379 nan 8.380 nan 0.000 0.456 360 G N -1.538 107.263 108.800 0.002 0.000 2.141 360 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.231 360 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.231 360 G C 0.783 175.685 174.900 0.004 0.000 0.984 360 G CA 0.073 45.173 45.100 0.001 0.000 0.660 360 G HN 0.982 nan 8.290 nan 0.000 0.525 361 G N -1.490 107.313 108.800 0.006 0.000 2.175 361 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.244 361 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.244 361 G C -0.132 174.777 174.900 0.015 0.000 0.982 361 G CA 0.842 45.947 45.100 0.008 0.000 0.641 361 G HN 1.134 nan 8.290 nan 0.000 0.527 362 E N -0.630 119.581 120.200 0.018 0.000 2.288 362 E HA 0.579 4.929 4.350 -0.001 0.000 0.268 362 E C -0.832 175.794 176.600 0.043 0.000 0.885 362 E CA -1.099 55.319 56.400 0.030 0.000 0.767 362 E CB 2.380 32.091 29.700 0.018 0.000 1.220 362 E HN 0.235 nan 8.360 nan 0.000 0.427 363 L N 2.385 123.658 121.223 0.084 0.000 2.278 363 L HA 0.301 4.640 4.340 -0.001 0.000 0.287 363 L C -0.218 176.736 176.870 0.140 0.000 1.072 363 L CA 0.266 55.193 54.840 0.144 0.000 0.819 363 L CB 0.540 42.725 42.059 0.210 0.000 1.176 363 L HN 0.623 nan 8.230 nan 0.000 0.435 364 T N 1.501 116.106 114.554 0.085 0.000 2.916 364 T HA 0.348 4.697 4.350 -0.001 0.000 0.292 364 T C 1.237 175.972 174.700 0.058 0.000 1.064 364 T CA -0.931 61.136 62.100 -0.054 0.000 1.011 364 T CB 1.140 69.966 68.868 -0.071 0.000 1.152 364 T HN 0.463 nan 8.240 nan 0.000 0.510 365 M N 1.059 120.643 119.600 -0.026 0.000 2.108 365 M HA -0.057 4.423 4.480 -0.001 0.000 0.257 365 M C 2.518 178.853 176.300 0.058 0.000 1.071 365 M CA 2.402 57.755 55.300 0.088 0.000 1.093 365 M CB -1.842 30.777 32.600 0.031 0.000 1.345 365 M HN 0.991 nan 8.290 nan 0.000 0.403 366 G N -0.416 108.395 108.800 0.018 0.000 2.422 366 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.218 366 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.218 366 G C 1.671 176.585 174.900 0.024 0.000 1.146 366 G CA 1.140 46.250 45.100 0.017 0.000 0.769 366 G HN 0.562 nan 8.290 nan 0.000 0.547 367 A N 0.827 123.665 122.820 0.030 0.000 1.902 367 A HA 0.061 4.380 4.320 -0.001 0.000 0.217 367 A C 2.381 179.983 177.584 0.030 0.000 1.181 367 A CA 1.198 53.253 52.037 0.030 0.000 0.623 367 A CB -0.339 18.684 19.000 0.038 0.000 0.818 367 A HN 0.372 nan 8.150 nan 0.000 0.443 368 I N -0.199 120.399 120.570 0.048 0.000 2.226 368 I HA -0.220 3.950 4.170 -0.001 0.000 0.245 368 I C 2.191 178.315 176.117 0.012 0.000 1.100 368 I CA 1.215 62.529 61.300 0.023 0.000 1.374 368 I CB -0.384 37.636 38.000 0.033 0.000 1.057 368 I HN 0.285 nan 8.210 nan 0.000 0.413 369 E N 1.188 121.404 120.200 0.026 0.000 2.265 369 E HA -0.192 4.157 4.350 -0.001 0.000 0.196 369 E C 1.835 178.449 176.600 0.024 0.000 0.996 369 E CA 0.991 57.407 56.400 0.028 0.000 0.832 369 E CB -0.177 29.544 29.700 0.035 0.000 0.756 369 E HN 0.557 nan 8.360 nan 0.000 0.491 370 K N -0.196 120.214 120.400 0.017 0.000 2.459 370 K HA 0.150 4.470 4.320 -0.001 0.000 0.193 370 K C 0.811 177.415 176.600 0.006 0.000 1.030 370 K CA 0.081 56.376 56.287 0.013 0.000 1.026 370 K CB 0.126 32.631 32.500 0.009 0.000 0.809 370 K HN 0.063 nan 8.250 nan 0.000 0.504 371 M N 1.783 121.383 119.600 -0.001 0.000 3.213 371 M HA 0.058 4.537 4.480 -0.001 0.000 0.275 371 M C 0.429 176.722 176.300 -0.010 0.000 1.424 371 M CA 0.123 55.414 55.300 -0.014 0.000 1.561 371 M CB 0.246 32.829 32.600 -0.028 0.000 1.109 371 M HN 0.083 nan 8.290 nan 0.000 0.552 372 E N 0.919 121.120 120.200 0.002 0.000 2.051 372 E HA -0.224 4.126 4.350 -0.001 0.000 0.192 372 E C 1.741 178.353 176.600 0.020 0.000 0.991 372 E CA 1.149 57.562 56.400 0.022 0.000 0.799 372 E CB 0.062 29.778 29.700 0.026 0.000 0.748 372 E HN 0.556 nan 8.360 nan 0.000 0.449 373 L N 0.939 122.157 121.223 -0.008 0.000 2.093 373 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 373 L C 2.205 179.058 176.870 -0.028 0.000 1.085 373 L CA 1.793 56.621 54.840 -0.020 0.000 0.755 373 L CB -0.532 41.497 42.059 -0.051 0.000 0.904 373 L HN 0.030 nan 8.230 nan 0.000 0.435 374 T N -0.513 114.012 114.554 -0.047 0.000 2.746 374 T HA -0.176 4.173 4.350 -0.001 0.000 0.267 374 T C 1.884 176.536 174.700 -0.079 0.000 1.039 374 T CA 1.574 63.637 62.100 -0.061 0.000 1.142 374 T CB -0.119 68.708 68.868 -0.068 0.000 0.866 374 T HN 0.337 nan 8.240 nan 0.000 0.444 375 K N 0.935 121.289 120.400 -0.075 0.000 2.057 375 K HA -0.057 4.262 4.320 -0.001 0.000 0.207 375 K C 2.780 179.318 176.600 -0.103 0.000 1.049 375 K CA 1.289 57.484 56.287 -0.153 0.000 0.931 375 K CB -0.328 32.140 32.500 -0.054 0.000 0.714 375 K HN 0.170 nan 8.250 nan 0.000 0.440 376 S N 0.832 116.585 115.700 0.088 0.000 2.359 376 S HA -0.138 4.332 4.470 -0.001 0.000 0.224 376 S C 2.005 176.710 174.600 0.176 0.000 1.035 376 S CA 1.418 59.765 58.200 0.245 0.000 1.018 376 S CB -0.276 63.034 63.200 0.183 0.000 0.876 376 S HN 0.237 nan 8.310 nan 0.000 0.448 377 V N 1.367 121.315 119.914 0.056 0.000 2.407 377 V HA -0.071 4.049 4.120 -0.001 0.000 0.248 377 V C 2.186 178.338 176.094 0.097 0.000 1.055 377 V CA 2.052 64.386 62.300 0.056 0.000 1.049 377 V CB -0.424 31.450 31.823 0.085 0.000 0.662 377 V HN 0.451 nan 8.190 nan 0.000 0.455 378 V N -0.371 119.539 119.914 -0.006 0.000 2.295 378 V HA -0.239 3.881 4.120 -0.001 0.000 0.246 378 V C 2.309 178.376 176.094 -0.046 0.000 1.049 378 V CA 2.509 64.765 62.300 -0.074 0.000 1.024 378 V CB -0.937 30.745 31.823 -0.235 0.000 0.648 378 V HN 0.632 nan 8.190 nan 0.000 0.447 379 Y N 0.553 120.824 120.300 -0.049 0.000 2.224 379 Y HA -0.194 4.355 4.550 -0.001 0.000 0.289 379 Y C 2.536 178.419 175.900 -0.030 0.000 1.146 379 Y CA 1.617 59.611 58.100 -0.178 0.000 1.182 379 Y CB -0.592 37.543 38.460 -0.541 0.000 0.983 379 Y HN 0.337 nan 8.280 nan 0.000 0.524 380 E N -0.596 119.780 120.200 0.293 0.000 2.150 380 E HA -0.136 4.213 4.350 -0.001 0.000 0.193 380 E C 2.084 178.852 176.600 0.280 0.000 0.985 380 E CA 1.306 57.840 56.400 0.223 0.000 0.814 380 E CB -0.476 29.111 29.700 -0.188 0.000 0.752 380 E HN 0.403 nan 8.360 nan 0.000 0.466 381 C N -0.121 119.402 119.300 0.372 0.000 2.446 381 C HA -0.010 4.450 4.460 -0.001 0.000 0.277 381 C C 2.531 177.696 174.990 0.291 0.000 1.275 381 C CA 0.531 59.815 59.018 0.444 0.000 1.727 381 C CB -1.010 26.908 27.740 0.296 0.000 2.010 381 C HN 0.451 nan 8.230 nan 0.000 0.486 382 L N 0.222 121.553 121.223 0.180 0.000 2.156 382 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 382 L C 2.864 179.855 176.870 0.201 0.000 1.095 382 L CA 1.169 56.083 54.840 0.124 0.000 0.770 382 L CB -0.624 41.437 42.059 0.004 0.000 0.914 382 L HN 0.352 nan 8.230 nan 0.000 0.439 383 R N -0.255 120.374 120.500 0.215 0.000 2.062 383 R HA -0.172 4.168 4.340 -0.001 0.000 0.229 383 R C 2.395 178.786 176.300 0.153 0.000 1.128 383 R CA 1.452 57.649 56.100 0.162 0.000 0.960 383 R CB -0.305 30.083 30.300 0.146 0.000 0.855 383 R HN 0.183 nan 8.270 nan 0.000 0.432 384 F N 1.277 121.279 119.950 0.088 0.000 2.186 384 F HA -0.011 4.515 4.527 -0.001 0.000 0.299 384 F C 0.138 175.992 175.800 0.091 0.000 1.090 384 F CA 1.311 59.374 58.000 0.104 0.000 1.307 384 F CB 0.361 39.523 39.000 0.270 0.000 1.019 384 F HN 0.007 nan 8.300 nan 0.000 0.489 385 E N 0.556 120.851 120.200 0.159 0.000 3.132 385 E HA 0.222 4.572 4.350 -0.001 0.000 0.241 385 E C -2.482 174.164 176.600 0.076 0.000 1.196 385 E CA -2.215 54.209 56.400 0.039 0.000 0.869 385 E CB 0.921 30.684 29.700 0.104 0.000 1.387 385 E HN -0.018 nan 8.360 nan 0.000 0.393 386 P HA -0.042 nan 4.420 nan 0.000 0.261 386 P C -2.022 175.340 177.300 0.104 0.000 1.183 386 P CA -0.825 62.337 63.100 0.105 0.000 0.761 386 P CB 0.383 32.111 31.700 0.047 0.000 0.785 387 P HA -0.075 nan 4.420 nan 0.000 0.217 387 P C -0.031 177.355 177.300 0.144 0.000 1.151 387 P CA 1.144 64.320 63.100 0.126 0.000 0.828 387 P CB 0.281 32.052 31.700 0.118 0.000 0.788 388 V N 0.927 120.955 119.914 0.190 0.000 2.313 388 V HA 0.135 4.255 4.120 -0.001 0.000 0.278 388 V C 1.360 177.550 176.094 0.160 0.000 1.017 388 V CA 0.116 62.529 62.300 0.189 0.000 0.823 388 V CB 0.743 32.705 31.823 0.231 0.000 1.010 388 V HN 0.136 nan 8.190 nan 0.000 0.443 389 T N 1.025 115.665 114.554 0.143 0.000 3.037 389 T HA 0.316 4.666 4.350 -0.001 0.000 0.251 389 T C 0.705 175.474 174.700 0.114 0.000 1.079 389 T CA 0.555 62.685 62.100 0.051 0.000 1.067 389 T CB 0.445 69.321 68.868 0.014 0.000 0.948 389 T HN 0.688 nan 8.240 nan 0.000 0.496 390 A N 1.330 124.288 122.820 0.230 0.000 2.273 390 A HA 0.751 5.070 4.320 -0.001 0.000 0.315 390 A C -0.710 176.980 177.584 0.178 0.000 1.256 390 A CA -0.715 51.485 52.037 0.273 0.000 0.851 390 A CB 0.878 20.222 19.000 0.573 0.000 1.172 390 A HN 0.322 nan 8.150 nan 0.000 0.508 391 Q N 0.837 120.597 119.800 -0.066 0.000 2.337 391 Q HA 0.660 4.999 4.340 -0.001 0.000 0.266 391 Q C -1.625 174.234 176.000 -0.234 0.000 1.023 391 Q CA -0.057 55.732 55.803 -0.023 0.000 0.829 391 Q CB 2.055 30.790 28.738 -0.006 0.000 1.306 391 Q HN 0.731 nan 8.270 nan 0.000 0.449 392 Y N -0.394 119.894 120.300 -0.019 0.000 2.570 392 Y HA 0.897 5.446 4.550 -0.001 0.000 0.345 392 Y C 0.461 176.338 175.900 -0.038 0.000 1.014 392 Y CA -1.008 57.094 58.100 0.003 0.000 1.063 392 Y CB 2.792 41.303 38.460 0.085 0.000 1.272 392 Y HN 0.658 nan 8.280 nan 0.000 0.477 393 G N 1.425 110.296 108.800 0.119 0.000 2.755 393 G HA2 0.475 4.434 3.960 -0.001 0.000 0.297 393 G HA3 0.475 4.434 3.960 -0.001 0.000 0.297 393 G C -2.261 172.665 174.900 0.042 0.000 1.441 393 G CA -1.041 44.089 45.100 0.049 0.000 0.964 393 G HN 0.538 nan 8.290 nan 0.000 0.540 394 R N 1.578 122.099 120.500 0.035 0.000 2.255 394 R HA 0.637 4.977 4.340 -0.001 0.000 0.326 394 R C 0.527 176.829 176.300 0.004 0.000 0.986 394 R CA -0.457 55.658 56.100 0.025 0.000 0.847 394 R CB 1.095 31.409 30.300 0.024 0.000 1.111 394 R HN 0.747 nan 8.270 nan 0.000 0.452 395 A N 4.239 127.059 122.820 -0.001 0.000 2.548 395 A HA 0.044 4.363 4.320 -0.001 0.000 0.247 395 A C 0.470 178.052 177.584 -0.003 0.000 1.067 395 A CA 0.243 52.276 52.037 -0.007 0.000 0.757 395 A CB 0.301 19.297 19.000 -0.006 0.000 0.996 395 A HN 0.960 nan 8.150 nan 0.000 0.504 396 K N 0.916 121.313 120.400 -0.005 0.000 2.361 396 K HA 0.008 4.327 4.320 -0.001 0.000 0.196 396 K C 0.399 176.998 176.600 -0.002 0.000 1.039 396 K CA 1.207 57.492 56.287 -0.004 0.000 1.001 396 K CB 0.029 32.526 32.500 -0.005 0.000 0.795 396 K HN 0.878 nan 8.250 nan 0.000 0.495 397 K N -0.245 120.154 120.400 -0.002 0.000 2.578 397 K HA 0.237 4.557 4.320 -0.001 0.000 0.287 397 K C -1.707 174.894 176.600 0.001 0.000 1.010 397 K CA -1.000 55.287 56.287 -0.000 0.000 0.889 397 K CB 0.848 33.347 32.500 -0.001 0.000 1.514 397 K HN -0.326 nan 8.250 nan 0.000 0.424 398 D N 1.179 121.581 120.400 0.003 0.000 2.455 398 D HA 0.228 4.868 4.640 -0.001 0.000 0.241 398 D C -0.348 175.955 176.300 0.005 0.000 1.138 398 D CA 0.334 54.338 54.000 0.006 0.000 0.877 398 D CB 0.401 41.206 40.800 0.008 0.000 1.187 398 D HN 0.346 nan 8.370 nan 0.000 0.451 399 L N 0.967 122.195 121.223 0.008 0.000 2.354 399 L HA 0.547 4.886 4.340 -0.001 0.000 0.264 399 L C -0.570 176.310 176.870 0.016 0.000 1.008 399 L CA -1.253 53.591 54.840 0.006 0.000 0.819 399 L CB 2.124 44.182 42.059 -0.001 0.000 1.339 399 L HN -0.016 nan 8.230 nan 0.000 0.420 400 V N 3.090 123.012 119.914 0.013 0.000 2.357 400 V HA 0.437 4.556 4.120 -0.001 0.000 0.284 400 V C -0.100 176.009 176.094 0.024 0.000 1.018 400 V CA -0.254 62.058 62.300 0.020 0.000 0.841 400 V CB 1.674 33.498 31.823 0.002 0.000 0.991 400 V HN 0.460 nan 8.190 nan 0.000 0.437 401 I N 4.391 124.998 120.570 0.062 0.000 2.339 401 I HA 0.397 4.567 4.170 -0.001 0.000 0.290 401 I C 0.290 176.469 176.117 0.105 0.000 0.994 401 I CA -0.358 60.979 61.300 0.062 0.000 1.191 401 I CB 1.495 39.526 38.000 0.053 0.000 1.343 401 I HN 0.586 nan 8.210 nan 0.000 0.458 402 E N 4.426 124.651 120.200 0.042 0.000 2.227 402 E HA 0.324 4.673 4.350 -0.001 0.000 0.282 402 E C -0.568 176.047 176.600 0.026 0.000 1.015 402 E CA -0.231 56.183 56.400 0.024 0.000 0.823 402 E CB 1.999 31.689 29.700 -0.018 0.000 1.081 402 E HN 0.526 nan 8.360 nan 0.000 0.396 403 S N 0.986 116.733 115.700 0.078 0.000 2.677 403 S HA 0.166 4.636 4.470 -0.001 0.000 0.290 403 S C 0.988 175.557 174.600 -0.051 0.000 1.124 403 S CA -0.543 57.675 58.200 0.030 0.000 1.017 403 S CB 0.540 63.887 63.200 0.246 0.000 1.215 403 S HN 0.598 nan 8.310 nan 0.000 0.524 404 H N 0.475 119.591 119.070 0.075 0.000 2.457 404 H HA 0.072 4.627 4.556 -0.001 0.000 0.294 404 H C 0.459 175.806 175.328 0.031 0.000 1.064 404 H CA 1.288 57.360 56.048 0.041 0.000 1.330 404 H CB 0.216 29.997 29.762 0.033 0.000 1.395 404 H HN 0.505 nan 8.280 nan 0.000 0.541 405 D N -0.845 119.647 120.400 0.152 0.000 2.489 405 D HA 0.340 4.980 4.640 -0.001 0.000 0.231 405 D C 0.418 176.720 176.300 0.004 0.000 1.114 405 D CA 0.271 54.320 54.000 0.082 0.000 0.842 405 D CB 1.280 42.138 40.800 0.098 0.000 1.133 405 D HN 0.210 nan 8.370 nan 0.000 0.506 406 A N 0.201 122.996 122.820 -0.042 0.000 2.602 406 A HA 0.784 5.103 4.320 -0.001 0.000 0.290 406 A C -1.519 175.834 177.584 -0.385 0.000 1.114 406 A CA -0.399 51.481 52.037 -0.262 0.000 0.683 406 A CB 1.551 20.299 19.000 -0.420 0.000 1.281 406 A HN 0.017 nan 8.150 nan 0.000 0.416 407 A N -0.075 122.428 122.820 -0.529 0.000 2.356 407 A HA 0.909 5.228 4.320 -0.001 0.000 0.323 407 A C -1.345 175.861 177.584 -0.630 0.000 1.119 407 A CA -0.389 51.412 52.037 -0.394 0.000 0.790 407 A CB 0.619 19.513 19.000 -0.177 0.000 1.273 407 A HN 0.931 nan 8.150 nan 0.000 0.452 408 F N 0.601 120.539 119.950 -0.021 0.000 2.556 408 F HA 0.433 4.959 4.527 -0.001 0.000 0.314 408 F C 0.326 176.113 175.800 -0.021 0.000 1.106 408 F CA -0.501 57.486 58.000 -0.020 0.000 0.911 408 F CB 2.433 41.419 39.000 -0.024 0.000 1.190 408 F HN 0.434 nan 8.300 nan 0.000 0.448 409 K N 2.423 122.915 120.400 0.153 0.000 2.258 409 K HA 0.612 4.931 4.320 -0.001 0.000 0.284 409 K C -1.018 175.632 176.600 0.084 0.000 1.051 409 K CA -0.520 55.819 56.287 0.085 0.000 0.923 409 K CB 1.679 34.208 32.500 0.048 0.000 1.046 409 K HN 0.345 nan 8.250 nan 0.000 0.474 410 V N 3.937 123.885 119.914 0.056 0.000 2.555 410 V HA 0.248 4.367 4.120 -0.001 0.000 0.302 410 V C -0.255 175.854 176.094 0.026 0.000 1.038 410 V CA -0.957 61.366 62.300 0.038 0.000 0.887 410 V CB 1.760 33.596 31.823 0.021 0.000 0.991 410 V HN 0.672 nan 8.190 nan 0.000 0.434 411 K N 2.638 123.053 120.400 0.025 0.000 2.118 411 K HA 0.698 5.018 4.320 -0.001 0.000 0.267 411 K C 0.222 176.829 176.600 0.012 0.000 0.991 411 K CA -0.382 55.916 56.287 0.019 0.000 0.916 411 K CB 1.454 33.967 32.500 0.021 0.000 1.041 411 K HN 0.843 nan 8.250 nan 0.000 0.455 412 A N 1.195 124.020 122.820 0.008 0.000 2.584 412 A HA 0.286 4.605 4.320 -0.001 0.000 0.239 412 A C 1.239 178.826 177.584 0.005 0.000 1.043 412 A CA 1.172 53.211 52.037 0.005 0.000 0.756 412 A CB -0.848 18.154 19.000 0.003 0.000 0.963 412 A HN 0.966 nan 8.150 nan 0.000 0.511 413 G N 1.439 110.241 108.800 0.003 0.000 2.213 413 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.236 413 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.236 413 G C 0.115 175.018 174.900 0.004 0.000 0.991 413 G CA 0.347 45.449 45.100 0.002 0.000 0.629 413 G HN 0.886 nan 8.290 nan 0.000 0.517 414 E N 0.166 120.371 120.200 0.009 0.000 2.392 414 E HA 0.410 4.759 4.350 -0.001 0.000 0.264 414 E C 0.303 176.917 176.600 0.024 0.000 1.024 414 E CA -0.214 56.196 56.400 0.016 0.000 0.903 414 E CB 0.683 30.398 29.700 0.026 0.000 0.963 414 E HN 0.275 nan 8.360 nan 0.000 0.432 415 M N 4.042 123.664 119.600 0.038 0.000 2.108 415 M HA 0.232 4.712 4.480 -0.001 0.000 0.354 415 M C -1.460 174.890 176.300 0.082 0.000 1.229 415 M CA 0.017 55.363 55.300 0.077 0.000 1.081 415 M CB 0.308 32.974 32.600 0.109 0.000 1.606 415 M HN 0.353 nan 8.290 nan 0.000 0.467 416 L N 5.607 126.862 121.223 0.054 0.000 2.322 416 L HA 0.528 4.867 4.340 -0.001 0.000 0.279 416 L C -1.225 175.624 176.870 -0.036 0.000 1.036 416 L CA -0.883 53.943 54.840 -0.023 0.000 0.807 416 L CB 1.277 43.273 42.059 -0.106 0.000 1.226 416 L HN 0.696 nan 8.230 nan 0.000 0.433 417 Y N 1.213 121.343 120.300 -0.284 0.000 2.457 417 Y HA 0.712 5.262 4.550 -0.001 0.000 0.343 417 Y C -0.382 175.246 175.900 -0.454 0.000 0.994 417 Y CA -0.795 57.006 58.100 -0.498 0.000 1.031 417 Y CB 2.215 40.392 38.460 -0.471 0.000 1.246 417 Y HN 0.498 nan 8.280 nan 0.000 0.449 418 G N 3.940 111.879 108.800 -1.436 0.000 2.590 418 G HA2 0.355 4.315 3.960 -0.001 0.000 0.310 418 G HA3 0.355 4.315 3.960 -0.001 0.000 0.310 418 G C -2.501 171.802 174.900 -0.994 0.000 1.347 418 G CA -0.709 43.757 45.100 -1.058 0.000 0.963 418 G HN 0.632 nan 8.290 nan 0.000 0.494 419 Y N 2.084 121.929 120.300 -0.758 0.000 2.535 419 Y HA 0.227 4.776 4.550 -0.001 0.000 0.349 419 Y C 1.643 177.463 175.900 -0.134 0.000 0.992 419 Y CA -0.466 57.387 58.100 -0.412 0.000 1.248 419 Y CB 1.312 39.400 38.460 -0.621 0.000 1.124 419 Y HN 0.705 nan 8.280 nan 0.000 0.520 420 Q N 5.506 125.117 119.800 -0.315 0.000 2.096 420 Q HA -0.141 4.199 4.340 -0.001 0.000 0.204 420 Q C -0.895 174.815 176.000 -0.484 0.000 0.982 420 Q CA 1.815 57.340 55.803 -0.463 0.000 0.850 420 Q CB -0.489 28.086 28.738 -0.271 0.000 0.901 420 Q HN 0.550 nan 8.270 nan 0.000 0.422 421 P HA -0.168 nan 4.420 nan 0.000 0.217 421 P C 0.795 177.976 177.300 -0.197 0.000 1.148 421 P CA 1.175 64.046 63.100 -0.382 0.000 0.828 421 P CB -0.055 31.372 31.700 -0.454 0.000 0.783 422 L N -1.779 119.368 121.223 -0.126 0.000 2.291 422 L HA -0.041 4.298 4.340 -0.001 0.000 0.214 422 L C 2.345 179.206 176.870 -0.014 0.000 1.120 422 L CA 1.068 55.924 54.840 0.026 0.000 0.799 422 L CB -0.852 41.297 42.059 0.151 0.000 0.925 422 L HN -0.038 nan 8.230 nan 0.000 0.446 423 A N 0.011 122.745 122.820 -0.144 0.000 1.930 423 A HA -0.125 4.195 4.320 -0.001 0.000 0.215 423 A C 2.361 179.931 177.584 -0.024 0.000 1.176 423 A CA 1.714 53.661 52.037 -0.149 0.000 0.632 423 A CB -0.597 18.086 19.000 -0.528 0.000 0.819 423 A HN 0.447 nan 8.150 nan 0.000 0.445 424 T N -3.597 110.923 114.554 -0.057 0.000 3.057 424 T HA 0.139 4.489 4.350 -0.001 0.000 0.254 424 T C 1.297 176.031 174.700 0.056 0.000 1.094 424 T CA 0.333 62.478 62.100 0.076 0.000 1.088 424 T CB -0.114 68.752 68.868 -0.003 0.000 0.934 424 T HN 0.370 nan 8.240 nan 0.000 0.497 425 R N 1.529 122.050 120.500 0.036 0.000 2.609 425 R HA 0.224 4.564 4.340 -0.001 0.000 0.326 425 R C -0.470 175.916 176.300 0.144 0.000 1.090 425 R CA -0.348 55.787 56.100 0.059 0.000 1.072 425 R CB 0.116 30.409 30.300 -0.013 0.000 1.330 425 R HN 0.299 nan 8.270 nan 0.000 0.572 426 D N 2.176 122.705 120.400 0.215 0.000 2.358 426 D HA 0.021 4.661 4.640 -0.001 0.000 0.258 426 D C -1.340 175.044 176.300 0.139 0.000 1.223 426 D CA -2.097 51.999 54.000 0.160 0.000 0.886 426 D CB 1.417 42.314 40.800 0.161 0.000 1.120 426 D HN 0.049 nan 8.370 nan 0.000 0.482 427 P HA -0.045 nan 4.420 nan 0.000 0.237 427 P C 0.503 177.769 177.300 -0.057 0.000 1.178 427 P CA 0.567 63.689 63.100 0.037 0.000 0.766 427 P CB 0.333 32.050 31.700 0.029 0.000 0.876 428 K N -0.782 119.519 120.400 -0.165 0.000 2.444 428 K HA 0.205 4.524 4.320 -0.001 0.000 0.193 428 K C 1.655 178.091 176.600 -0.274 0.000 1.024 428 K CA 0.330 56.423 56.287 -0.323 0.000 1.077 428 K CB 0.124 32.155 32.500 -0.782 0.000 0.833 428 K HN 0.226 nan 8.250 nan 0.000 0.517 429 I N -1.010 119.419 120.570 -0.235 0.000 3.812 429 I HA 0.091 4.260 4.170 -0.001 0.000 0.292 429 I C -0.200 175.593 176.117 -0.541 0.000 1.206 429 I CA 0.049 61.076 61.300 -0.456 0.000 1.370 429 I CB 0.626 38.227 38.000 -0.665 0.000 1.328 429 I HN -0.119 nan 8.210 nan 0.000 0.453 430 F N 1.381 121.289 119.950 -0.071 0.000 2.444 430 F HA 0.326 4.853 4.527 -0.001 0.000 0.342 430 F C 0.122 175.895 175.800 -0.046 0.000 1.121 430 F CA -1.080 56.890 58.000 -0.050 0.000 0.997 430 F CB 0.834 39.822 39.000 -0.020 0.000 1.130 430 F HN -0.175 nan 8.300 nan 0.000 0.454 431 D N 2.114 122.585 120.400 0.119 0.000 2.399 431 D HA 0.159 4.798 4.640 -0.001 0.000 0.241 431 D C 0.244 176.588 176.300 0.072 0.000 1.133 431 D CA 0.307 54.344 54.000 0.061 0.000 0.890 431 D CB 0.525 41.337 40.800 0.019 0.000 1.201 431 D HN 0.590 nan 8.370 nan 0.000 0.432 432 R N 1.632 122.162 120.500 0.050 0.000 3.322 432 R HA -0.232 4.107 4.340 -0.001 0.000 0.253 432 R C 0.971 177.316 176.300 0.075 0.000 0.987 432 R CA 0.437 56.565 56.100 0.047 0.000 0.666 432 R CB -1.872 28.437 30.300 0.014 0.000 1.072 432 R HN 0.432 nan 8.270 nan 0.000 0.447 433 A N 0.237 123.122 122.820 0.109 0.000 2.019 433 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 433 A C 1.450 179.130 177.584 0.159 0.000 1.164 433 A CA 1.494 53.612 52.037 0.135 0.000 0.644 433 A CB 0.046 19.145 19.000 0.166 0.000 0.805 433 A HN 0.379 nan 8.150 nan 0.000 0.449 434 D N 0.129 120.633 120.400 0.173 0.000 2.325 434 D HA 0.112 4.752 4.640 -0.001 0.000 0.225 434 D C -0.120 176.420 176.300 0.399 0.000 1.096 434 D CA 0.205 54.364 54.000 0.265 0.000 0.844 434 D CB 0.214 41.114 40.800 0.168 0.000 0.925 434 D HN 0.608 nan 8.370 nan 0.000 0.513 435 E N 0.093 120.442 120.200 0.248 0.000 2.195 435 E HA 0.237 4.586 4.350 -0.001 0.000 0.271 435 E C -0.761 175.779 176.600 -0.099 0.000 0.923 435 E CA -0.879 55.576 56.400 0.093 0.000 0.790 435 E CB 1.997 31.712 29.700 0.025 0.000 1.155 435 E HN -0.078 nan 8.360 nan 0.000 0.402 436 F N 3.159 122.779 119.950 -0.550 0.000 2.413 436 F HA 0.217 4.743 4.527 -0.001 0.000 0.359 436 F C -0.809 174.814 175.800 -0.295 0.000 1.122 436 F CA -0.416 57.187 58.000 -0.662 0.000 1.160 436 F CB 0.469 38.938 39.000 -0.884 0.000 1.146 436 F HN 0.089 nan 8.300 nan 0.000 0.514 437 V N 9.979 129.544 119.914 -0.581 0.000 2.304 437 V HA 0.199 4.318 4.120 -0.001 0.000 0.278 437 V C -1.719 174.083 176.094 -0.485 0.000 1.018 437 V CA -1.345 60.728 62.300 -0.378 0.000 0.814 437 V CB 1.237 32.910 31.823 -0.249 0.000 1.021 437 V HN 0.632 nan 8.190 nan 0.000 0.440 438 P HA -0.186 nan 4.420 nan 0.000 0.216 438 P C 1.270 178.470 177.300 -0.167 0.000 1.150 438 P CA 1.077 63.994 63.100 -0.305 0.000 0.843 438 P CB 0.274 31.918 31.700 -0.094 0.000 0.787 439 E N -0.138 119.981 120.200 -0.135 0.000 2.445 439 E HA -0.075 4.275 4.350 -0.001 0.000 0.189 439 E C 1.736 178.277 176.600 -0.099 0.000 1.069 439 E CA 0.062 56.416 56.400 -0.078 0.000 0.871 439 E CB -0.630 29.032 29.700 -0.065 0.000 0.991 439 E HN 0.203 nan 8.360 nan 0.000 0.481 440 R N 0.232 120.615 120.500 -0.195 0.000 2.105 440 R HA -0.107 4.233 4.340 -0.001 0.000 0.239 440 R C 0.592 176.636 176.300 -0.428 0.000 1.135 440 R CA 1.477 57.349 56.100 -0.380 0.000 0.967 440 R CB -0.138 29.777 30.300 -0.641 0.000 0.861 440 R HN 0.138 nan 8.270 nan 0.000 0.442 441 F N -0.127 119.842 119.950 0.033 0.000 2.639 441 F HA 0.232 4.758 4.527 -0.001 0.000 0.300 441 F C -0.032 175.809 175.800 0.069 0.000 1.109 441 F CA -0.454 57.589 58.000 0.071 0.000 1.335 441 F CB 0.779 39.852 39.000 0.123 0.000 1.014 441 F HN -0.259 nan 8.300 nan 0.000 0.537 442 V N 0.902 120.899 119.914 0.139 0.000 2.555 442 V HA 0.628 4.748 4.120 -0.001 0.000 0.286 442 V C 0.741 176.877 176.094 0.070 0.000 1.044 442 V CA 0.065 62.424 62.300 0.098 0.000 1.026 442 V CB 0.377 32.227 31.823 0.045 0.000 0.981 442 V HN 0.563 nan 8.190 nan 0.000 0.480 443 G N 4.496 113.339 108.800 0.071 0.000 2.757 443 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.638 443 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.638 443 G C 0.466 175.401 174.900 0.057 0.000 1.344 443 G CA 0.188 45.318 45.100 0.050 0.000 0.855 443 G HN 0.939 nan 8.290 nan 0.000 0.537 444 E N -0.675 119.550 120.200 0.041 0.000 2.106 444 E HA -0.082 4.268 4.350 -0.001 0.000 0.192 444 E C 1.755 178.380 176.600 0.042 0.000 0.984 444 E CA 1.593 58.017 56.400 0.040 0.000 0.806 444 E CB -0.092 29.624 29.700 0.027 0.000 0.750 444 E HN 0.434 nan 8.360 nan 0.000 0.458 445 E N 1.179 121.400 120.200 0.034 0.000 2.028 445 E HA -0.104 4.245 4.350 -0.001 0.000 0.191 445 E C 2.318 178.946 176.600 0.046 0.000 0.988 445 E CA 1.375 57.793 56.400 0.029 0.000 0.799 445 E CB -0.819 28.889 29.700 0.012 0.000 0.755 445 E HN 0.477 nan 8.360 nan 0.000 0.447 446 G N 1.284 110.114 108.800 0.050 0.000 2.422 446 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.218 446 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.218 446 G C 1.455 176.482 174.900 0.213 0.000 1.146 446 G CA 0.746 45.889 45.100 0.073 0.000 0.769 446 G HN 0.286 nan 8.290 nan 0.000 0.547 447 E N -0.082 120.220 120.200 0.169 0.000 2.204 447 E HA -0.106 4.243 4.350 -0.001 0.000 0.195 447 E C 2.313 178.975 176.600 0.102 0.000 0.990 447 E CA 0.877 57.365 56.400 0.147 0.000 0.821 447 E CB -0.004 29.751 29.700 0.092 0.000 0.750 447 E HN 0.269 nan 8.360 nan 0.000 0.477 448 K N 0.989 121.441 120.400 0.087 0.000 2.362 448 K HA -0.064 4.255 4.320 -0.001 0.000 0.200 448 K C 1.557 178.202 176.600 0.074 0.000 1.046 448 K CA 0.603 56.921 56.287 0.052 0.000 0.952 448 K CB -0.016 32.506 32.500 0.038 0.000 0.753 448 K HN 0.093 nan 8.250 nan 0.000 0.466 449 L N 0.160 121.497 121.223 0.190 0.000 2.552 449 L HA 0.020 4.360 4.340 -0.001 0.000 0.227 449 L C 1.608 178.709 176.870 0.385 0.000 1.146 449 L CA 0.167 55.203 54.840 0.327 0.000 0.858 449 L CB -0.185 42.129 42.059 0.424 0.000 0.969 449 L HN 0.137 nan 8.230 nan 0.000 0.451 450 L N 0.281 121.603 121.223 0.166 0.000 2.265 450 L HA -0.181 4.159 4.340 -0.001 0.000 0.215 450 L C 2.771 179.579 176.870 -0.103 0.000 1.117 450 L CA 1.021 55.792 54.840 -0.115 0.000 0.782 450 L CB -0.462 41.386 42.059 -0.352 0.000 0.914 450 L HN 0.426 nan 8.230 nan 0.000 0.441 451 R N -0.960 119.455 120.500 -0.143 0.000 2.237 451 R HA -0.138 4.201 4.340 -0.001 0.000 0.219 451 R C 1.246 177.415 176.300 -0.218 0.000 1.080 451 R CA 1.112 57.076 56.100 -0.226 0.000 0.995 451 R CB -0.475 29.641 30.300 -0.307 0.000 0.875 451 R HN 0.448 nan 8.270 nan 0.000 0.462 452 H N 0.286 119.436 119.070 0.134 0.000 2.529 452 H HA 0.240 4.796 4.556 -0.001 0.000 0.277 452 H C -0.203 175.309 175.328 0.308 0.000 1.004 452 H CA -0.122 56.053 56.048 0.212 0.000 1.167 452 H CB 0.561 30.403 29.762 0.133 0.000 1.445 452 H HN -0.049 nan 8.280 nan 0.000 0.554 453 V N 2.558 122.630 119.914 0.263 0.000 2.383 453 V HA 0.095 4.215 4.120 -0.001 0.000 0.275 453 V C 0.996 177.146 176.094 0.094 0.000 1.036 453 V CA -0.033 62.373 62.300 0.177 0.000 0.889 453 V CB 1.657 33.498 31.823 0.031 0.000 0.985 453 V HN 0.275 nan 8.190 nan 0.000 0.459 454 L N 4.874 126.159 121.223 0.103 0.000 3.069 454 L HA 0.124 4.463 4.340 -0.001 0.000 0.271 454 L C 1.905 178.761 176.870 -0.024 0.000 1.201 454 L CA -0.105 54.749 54.840 0.024 0.000 1.015 454 L CB 0.013 42.133 42.059 0.102 0.000 1.371 454 L HN 0.884 nan 8.230 nan 0.000 0.574 455 W N 0.908 122.239 121.300 0.052 0.000 2.350 455 W HA -0.187 4.472 4.660 -0.001 0.000 0.289 455 W C 1.522 178.105 176.519 0.106 0.000 1.215 455 W CA 1.278 58.671 57.345 0.079 0.000 1.236 455 W CB -1.025 28.490 29.460 0.091 0.000 1.130 455 W HN 0.357 nan 8.180 nan 0.000 0.541 456 S N 0.874 115.812 115.700 -1.271 0.000 2.650 456 S HA -0.006 4.463 4.470 -0.001 0.000 0.219 456 S C 0.699 175.004 174.600 -0.491 0.000 0.960 456 S CA 0.484 57.899 58.200 -1.308 0.000 0.925 456 S CB -1.074 61.171 63.200 -1.592 0.000 0.775 456 S HN 0.382 nan 8.310 nan 0.000 0.525 457 N N 0.325 118.879 118.700 -0.243 0.000 2.758 457 N HA -0.090 4.649 4.740 -0.001 0.000 0.248 457 N C -0.108 175.053 175.510 -0.581 0.000 1.076 457 N CA 1.070 54.087 53.050 -0.055 0.000 0.696 457 N CB -1.335 37.212 38.487 0.099 0.000 0.979 457 N HN 0.975 nan 8.380 nan 0.000 0.550 458 G N -1.786 106.396 108.800 -1.031 0.000 2.451 458 G HA2 0.484 4.444 3.960 -0.001 0.000 0.292 458 G HA3 0.484 4.444 3.960 -0.001 0.000 0.292 458 G C -3.341 171.044 174.900 -0.858 0.000 1.427 458 G CA -0.727 43.479 45.100 -1.490 0.000 0.792 458 G HN 0.067 nan 8.290 nan 0.000 0.498 459 P HA 0.229 nan 4.420 nan 0.000 0.269 459 P C 0.386 177.551 177.300 -0.225 0.000 1.209 459 P CA -0.117 62.840 63.100 -0.238 0.000 0.776 459 P CB 1.275 32.898 31.700 -0.127 0.000 0.876 460 E N 1.292 121.395 120.200 -0.161 0.000 2.338 460 E HA -0.136 4.213 4.350 -0.001 0.000 0.197 460 E C 1.182 177.723 176.600 -0.097 0.000 1.007 460 E CA 1.630 57.958 56.400 -0.121 0.000 0.849 460 E CB -0.836 28.789 29.700 -0.125 0.000 0.774 460 E HN 0.494 nan 8.360 nan 0.000 0.506 461 T N -2.524 111.963 114.554 -0.111 0.000 3.088 461 T HA 0.096 4.445 4.350 -0.001 0.000 0.259 461 T C 0.641 175.303 174.700 -0.063 0.000 1.122 461 T CA 0.101 62.154 62.100 -0.079 0.000 1.095 461 T CB 0.029 68.847 68.868 -0.082 0.000 0.930 461 T HN 0.036 nan 8.240 nan 0.000 0.508 462 E N 0.793 120.941 120.200 -0.087 0.000 2.243 462 E HA 0.529 4.878 4.350 -0.001 0.000 0.260 462 E C -0.746 175.813 176.600 -0.070 0.000 0.985 462 E CA -0.754 55.600 56.400 -0.077 0.000 0.858 462 E CB 1.726 31.366 29.700 -0.099 0.000 1.210 462 E HN 0.135 nan 8.360 nan 0.000 0.411 463 T N 1.124 115.649 114.554 -0.049 0.000 2.861 463 T HA 0.381 4.730 4.350 -0.001 0.000 0.287 463 T C -2.688 172.007 174.700 -0.008 0.000 1.003 463 T CA -2.417 59.665 62.100 -0.030 0.000 0.977 463 T CB 1.329 70.178 68.868 -0.032 0.000 0.996 463 T HN 0.127 nan 8.240 nan 0.000 0.448 464 P HA 0.273 nan 4.420 nan 0.000 0.268 464 P C -0.393 177.028 177.300 0.200 0.000 1.205 464 P CA 0.093 63.279 63.100 0.143 0.000 0.771 464 P CB 0.578 32.440 31.700 0.270 0.000 0.858 465 T N -2.710 112.006 114.554 0.270 0.000 2.812 465 T HA 0.283 4.633 4.350 -0.001 0.000 0.294 465 T C 1.022 175.926 174.700 0.341 0.000 1.159 465 T CA -0.386 61.891 62.100 0.295 0.000 1.008 465 T CB 0.841 69.792 68.868 0.138 0.000 1.289 465 T HN 0.142 nan 8.240 nan 0.000 0.514 466 V N -1.132 118.969 119.914 0.313 0.000 3.078 466 V HA 0.277 4.396 4.120 -0.001 0.000 0.265 466 V C 1.891 178.152 176.094 0.278 0.000 1.122 466 V CA 1.764 64.186 62.300 0.203 0.000 1.141 466 V CB -1.345 30.564 31.823 0.143 0.000 0.735 466 V HN 1.077 nan 8.190 nan 0.000 0.498 467 G N 1.278 110.201 108.800 0.205 0.000 2.887 467 G HA2 0.136 4.095 3.960 -0.001 0.000 0.211 467 G HA3 0.136 4.095 3.960 -0.001 0.000 0.211 467 G C 0.462 175.424 174.900 0.104 0.000 1.152 467 G CA 0.391 45.572 45.100 0.136 0.000 0.769 467 G HN 0.766 nan 8.290 nan 0.000 0.541 468 N N -1.337 117.452 118.700 0.149 0.000 2.653 468 N HA 0.392 5.131 4.740 -0.001 0.000 0.294 468 N C 0.082 175.672 175.510 0.134 0.000 1.305 468 N CA -0.962 52.149 53.050 0.101 0.000 0.827 468 N CB 1.058 39.590 38.487 0.076 0.000 1.415 468 N HN -0.319 nan 8.380 nan 0.000 0.546 469 K N -0.556 119.897 120.400 0.089 0.000 2.514 469 K HA 0.142 4.462 4.320 -0.001 0.000 0.207 469 K C -0.261 176.394 176.600 0.091 0.000 1.035 469 K CA -0.152 56.199 56.287 0.106 0.000 1.113 469 K CB -0.080 32.465 32.500 0.076 0.000 0.846 469 K HN 0.675 nan 8.250 nan 0.000 0.491 470 Q N 0.604 120.435 119.800 0.052 0.000 2.373 470 Q HA 0.022 4.362 4.340 -0.001 0.000 0.255 470 Q C -0.316 175.697 176.000 0.022 0.000 0.980 470 Q CA -0.101 55.686 55.803 -0.027 0.000 0.882 470 Q CB 0.939 29.623 28.738 -0.090 0.000 1.249 470 Q HN 0.268 nan 8.270 nan 0.000 0.438 471 C N 3.711 122.995 119.300 -0.026 0.000 2.419 471 C HA 0.069 4.529 4.460 -0.001 0.000 0.398 471 C C 1.626 176.691 174.990 0.125 0.000 1.498 471 C CA 0.407 59.461 59.018 0.060 0.000 1.494 471 C CB -1.173 26.571 27.740 0.007 0.000 2.485 471 C HN 0.917 nan 8.230 nan 0.000 0.608 472 A N 4.547 127.444 122.820 0.127 0.000 2.067 472 A HA 0.124 4.444 4.320 -0.001 0.000 0.219 472 A C 1.955 179.709 177.584 0.283 0.000 1.158 472 A CA 1.616 53.748 52.037 0.158 0.000 0.661 472 A CB -0.526 18.404 19.000 -0.116 0.000 0.801 472 A HN 1.415 nan 8.150 nan 0.000 0.452 473 G N -0.878 108.087 108.800 0.275 0.000 3.523 473 G HA2 0.159 4.118 3.960 -0.001 0.000 0.270 473 G HA3 0.159 4.118 3.960 -0.001 0.000 0.270 473 G C 1.047 176.241 174.900 0.490 0.000 1.134 473 G CA 0.463 45.780 45.100 0.361 0.000 0.825 473 G HN 0.538 nan 8.290 nan 0.000 0.534 474 K N 0.649 121.287 120.400 0.397 0.000 2.044 474 K HA -0.166 4.154 4.320 -0.001 0.000 0.210 474 K C 1.635 178.534 176.600 0.499 0.000 1.049 474 K CA 1.853 58.407 56.287 0.445 0.000 0.927 474 K CB 0.017 32.608 32.500 0.151 0.000 0.713 474 K HN 0.114 nan 8.250 nan 0.000 0.443 475 D N -0.114 120.497 120.400 0.352 0.000 2.144 475 D HA -0.154 4.485 4.640 -0.001 0.000 0.200 475 D C 1.650 178.135 176.300 0.307 0.000 0.978 475 D CA 0.849 55.022 54.000 0.288 0.000 0.833 475 D CB -0.307 40.620 40.800 0.212 0.000 0.961 475 D HN 0.235 nan 8.370 nan 0.000 0.470 476 F N 1.332 121.424 119.950 0.237 0.000 2.126 476 F HA -0.223 4.303 4.527 -0.001 0.000 0.299 476 F C 2.149 178.073 175.800 0.207 0.000 1.096 476 F CA 1.080 59.221 58.000 0.236 0.000 1.255 476 F CB -0.118 39.057 39.000 0.293 0.000 0.997 476 F HN -0.214 nan 8.300 nan 0.000 0.479 477 V N -0.505 119.646 119.914 0.396 0.000 2.307 477 V HA -0.271 3.849 4.120 -0.001 0.000 0.245 477 V C 2.351 178.415 176.094 -0.051 0.000 1.045 477 V CA 1.627 64.024 62.300 0.161 0.000 1.024 477 V CB -0.635 31.253 31.823 0.110 0.000 0.651 477 V HN 0.265 nan 8.190 nan 0.000 0.449 478 V N -0.169 119.764 119.914 0.031 0.000 2.343 478 V HA -0.234 3.885 4.120 -0.001 0.000 0.247 478 V C 2.375 178.380 176.094 -0.148 0.000 1.051 478 V CA 2.024 64.284 62.300 -0.066 0.000 1.036 478 V CB -0.584 31.281 31.823 0.070 0.000 0.654 478 V HN 0.521 nan 8.190 nan 0.000 0.451 479 L N 1.165 122.309 121.223 -0.132 0.000 2.017 479 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 479 L C 2.526 179.141 176.870 -0.425 0.000 1.073 479 L CA 2.663 57.360 54.840 -0.239 0.000 0.745 479 L CB -0.660 41.296 42.059 -0.172 0.000 0.894 479 L HN 0.319 nan 8.230 nan 0.000 0.432 480 V N -2.405 117.228 119.914 -0.469 0.000 2.548 480 V HA -0.052 4.068 4.120 -0.001 0.000 0.249 480 V C 2.535 178.425 176.094 -0.341 0.000 1.055 480 V CA 1.300 63.270 62.300 -0.552 0.000 1.065 480 V CB -1.893 29.698 31.823 -0.387 0.000 0.681 480 V HN 0.448 nan 8.190 nan 0.000 0.462 481 A N 0.901 123.634 122.820 -0.146 0.000 1.902 481 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 481 A C 2.428 179.881 177.584 -0.219 0.000 1.181 481 A CA 2.061 54.028 52.037 -0.116 0.000 0.623 481 A CB -0.566 18.380 19.000 -0.089 0.000 0.818 481 A HN 0.584 nan 8.150 nan 0.000 0.443 482 R N -0.573 119.760 120.500 -0.279 0.000 2.075 482 R HA 0.020 4.360 4.340 -0.001 0.000 0.232 482 R C 2.050 178.137 176.300 -0.355 0.000 1.126 482 R CA 1.351 57.285 56.100 -0.276 0.000 0.963 482 R CB -0.491 29.651 30.300 -0.262 0.000 0.858 482 R HN 0.497 nan 8.270 nan 0.000 0.435 483 L N -0.250 120.622 121.223 -0.585 0.000 2.079 483 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 483 L C 2.294 178.806 176.870 -0.595 0.000 1.081 483 L CA 0.992 55.343 54.840 -0.815 0.000 0.752 483 L CB -0.435 40.706 42.059 -1.529 0.000 0.896 483 L HN 0.150 nan 8.230 nan 0.000 0.433 484 F N 0.556 120.088 119.950 -0.696 0.000 2.075 484 F HA -0.199 4.327 4.527 -0.001 0.000 0.297 484 F C 2.315 177.973 175.800 -0.237 0.000 1.113 484 F CA 1.576 59.368 58.000 -0.348 0.000 1.218 484 F CB -0.521 37.998 39.000 -0.801 0.000 0.984 484 F HN -0.258 nan 8.300 nan 0.000 0.472 485 V N 0.781 120.519 119.914 -0.294 0.000 2.332 485 V HA -0.322 3.797 4.120 -0.001 0.000 0.248 485 V C 2.524 178.550 176.094 -0.113 0.000 1.055 485 V CA 2.150 64.325 62.300 -0.209 0.000 1.038 485 V CB -0.716 31.088 31.823 -0.032 0.000 0.651 485 V HN 0.360 nan 8.190 nan 0.000 0.450 486 I N -0.149 120.342 120.570 -0.132 0.000 2.163 486 I HA -0.249 3.921 4.170 -0.001 0.000 0.243 486 I C 2.642 178.684 176.117 -0.124 0.000 1.085 486 I CA 1.710 62.952 61.300 -0.096 0.000 1.347 486 I CB -0.329 37.593 38.000 -0.131 0.000 1.044 486 I HN 0.306 nan 8.210 nan 0.000 0.408 487 E N 1.234 121.358 120.200 -0.127 0.000 2.085 487 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 487 E C 2.032 178.393 176.600 -0.398 0.000 0.994 487 E CA 1.482 57.823 56.400 -0.097 0.000 0.801 487 E CB -0.225 29.608 29.700 0.221 0.000 0.743 487 E HN 0.441 nan 8.360 nan 0.000 0.453 488 I N -0.687 119.521 120.570 -0.604 0.000 2.142 488 I HA -0.245 3.924 4.170 -0.001 0.000 0.240 488 I C 1.566 177.221 176.117 -0.770 0.000 1.078 488 I CA 1.091 61.809 61.300 -0.969 0.000 1.343 488 I CB -0.235 37.036 38.000 -1.216 0.000 1.046 488 I HN 0.082 nan 8.210 nan 0.000 0.405 489 F N 0.981 120.764 119.950 -0.278 0.000 2.710 489 F HA 0.018 4.545 4.527 -0.001 0.000 0.298 489 F C 2.429 178.117 175.800 -0.185 0.000 1.137 489 F CA 0.371 58.264 58.000 -0.180 0.000 1.444 489 F CB -0.449 38.480 39.000 -0.119 0.000 1.111 489 F HN 0.061 nan 8.300 nan 0.000 0.580 490 R N 0.337 120.778 120.500 -0.099 0.000 2.189 490 R HA 0.003 4.342 4.340 -0.001 0.000 0.218 490 R C 1.715 177.877 176.300 -0.230 0.000 1.074 490 R CA 1.007 57.034 56.100 -0.122 0.000 0.991 490 R CB -0.385 29.857 30.300 -0.096 0.000 0.883 490 R HN 0.220 nan 8.270 nan 0.000 0.457 491 R N -0.520 119.713 120.500 -0.445 0.000 2.146 491 R HA 0.147 4.487 4.340 -0.001 0.000 0.206 491 R C -0.151 175.699 176.300 -0.750 0.000 1.049 491 R CA 0.561 56.228 56.100 -0.721 0.000 1.029 491 R CB 0.230 29.778 30.300 -1.253 0.000 0.949 491 R HN 0.121 nan 8.270 nan 0.000 0.471 492 Y N 0.140 120.284 120.300 -0.259 0.000 2.429 492 Y HA 0.206 4.756 4.550 -0.001 0.000 0.342 492 Y C 0.521 176.416 175.900 -0.008 0.000 1.004 492 Y CA -1.418 56.570 58.100 -0.188 0.000 1.075 492 Y CB 1.275 39.544 38.460 -0.319 0.000 1.214 492 Y HN -0.185 nan 8.280 nan 0.000 0.455 493 D N 0.539 121.049 120.400 0.183 0.000 2.183 493 D HA 0.002 4.641 4.640 -0.001 0.000 0.203 493 D C 0.177 176.639 176.300 0.270 0.000 0.969 493 D CA 1.362 55.468 54.000 0.176 0.000 0.842 493 D CB 0.263 41.109 40.800 0.076 0.000 0.957 493 D HN 0.492 nan 8.370 nan 0.000 0.484 494 S N -1.387 114.458 115.700 0.241 0.000 2.643 494 S HA 0.581 5.051 4.470 -0.001 0.000 0.266 494 S C -1.282 173.438 174.600 0.201 0.000 1.130 494 S CA -1.184 57.195 58.200 0.298 0.000 0.817 494 S CB 1.129 64.357 63.200 0.047 0.000 1.107 494 S HN 0.129 nan 8.310 nan 0.000 0.471 495 F N -1.105 118.959 119.950 0.190 0.000 2.713 495 F HA 0.878 5.405 4.527 -0.001 0.000 0.311 495 F C -2.037 173.938 175.800 0.291 0.000 1.141 495 F CA -0.831 57.195 58.000 0.043 0.000 0.939 495 F CB 0.835 39.712 39.000 -0.204 0.000 1.325 495 F HN 0.514 nan 8.300 nan 0.000 0.453 496 D N 1.929 122.589 120.400 0.433 0.000 2.619 496 D HA 0.595 5.234 4.640 -0.001 0.000 0.241 496 D C -0.831 175.696 176.300 0.377 0.000 1.087 496 D CA -0.057 54.135 54.000 0.322 0.000 0.851 496 D CB 2.758 43.692 40.800 0.223 0.000 1.474 496 D HN 0.762 nan 8.370 nan 0.000 0.478 497 I N -1.973 118.742 120.570 0.241 0.000 2.797 497 I HA 0.722 4.892 4.170 -0.001 0.000 0.307 497 I C -0.562 175.597 176.117 0.071 0.000 1.033 497 I CA -0.611 60.773 61.300 0.140 0.000 1.071 497 I CB 2.352 40.406 38.000 0.089 0.000 1.255 497 I HN 0.221 nan 8.210 nan 0.000 0.445 498 E N 3.106 123.326 120.200 0.033 0.000 2.311 498 E HA 0.465 4.814 4.350 -0.001 0.000 0.281 498 E C -1.841 174.768 176.600 0.015 0.000 0.905 498 E CA -0.789 55.629 56.400 0.030 0.000 0.778 498 E CB 2.238 31.965 29.700 0.045 0.000 1.240 498 E HN 0.636 nan 8.360 nan 0.000 0.410 499 V N 3.001 122.925 119.914 0.016 0.000 2.572 499 V HA 0.427 4.546 4.120 -0.001 0.000 0.291 499 V C 0.853 176.961 176.094 0.024 0.000 1.039 499 V CA 0.459 62.770 62.300 0.018 0.000 1.055 499 V CB 1.144 32.980 31.823 0.022 0.000 0.969 499 V HN 0.693 nan 8.190 nan 0.000 0.482 500 G N 2.973 111.788 108.800 0.025 0.000 2.389 500 G HA2 0.669 4.628 3.960 -0.001 0.000 0.328 500 G HA3 0.669 4.628 3.960 -0.001 0.000 0.328 500 G C -0.227 174.690 174.900 0.027 0.000 1.133 500 G CA -0.272 44.844 45.100 0.028 0.000 0.891 500 G HN 0.816 nan 8.290 nan 0.000 0.485 501 T N -1.666 112.904 114.554 0.026 0.000 2.885 501 T HA 0.793 5.142 4.350 -0.001 0.000 0.285 501 T C 0.054 174.768 174.700 0.024 0.000 1.019 501 T CA -0.397 61.718 62.100 0.025 0.000 1.010 501 T CB 1.788 70.671 68.868 0.024 0.000 1.022 501 T HN 1.260 nan 8.240 nan 0.000 0.466 502 S N 1.043 116.757 115.700 0.023 0.000 2.638 502 S HA 0.652 5.122 4.470 -0.001 0.000 0.274 502 S C -2.235 172.377 174.600 0.020 0.000 1.157 502 S CA -1.271 56.941 58.200 0.021 0.000 0.826 502 S CB 0.935 64.148 63.200 0.022 0.000 1.139 502 S HN 0.456 nan 8.310 nan 0.000 0.474 503 P HA 0.008 nan 4.420 nan 0.000 0.215 503 P C 0.862 178.173 177.300 0.019 0.000 1.157 503 P CA 1.179 64.289 63.100 0.016 0.000 0.874 503 P CB -0.121 31.586 31.700 0.012 0.000 0.790 504 L N -1.679 119.557 121.223 0.021 0.000 2.682 504 L HA 0.292 4.632 4.340 -0.001 0.000 0.240 504 L C 0.998 177.886 176.870 0.030 0.000 1.178 504 L CA -0.006 54.849 54.840 0.025 0.000 0.970 504 L CB -1.104 40.971 42.059 0.026 0.000 1.179 504 L HN 0.117 nan 8.230 nan 0.000 0.435 505 G N -0.692 108.126 108.800 0.030 0.000 2.479 505 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.686 505 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.686 505 G C -0.568 174.351 174.900 0.032 0.000 1.295 505 G CA -0.396 44.724 45.100 0.034 0.000 0.922 505 G HN 0.203 nan 8.290 nan 0.000 0.582 506 S N -1.213 114.507 115.700 0.034 0.000 2.690 506 S HA 0.908 5.377 4.470 -0.001 0.000 0.291 506 S C 0.077 174.697 174.600 0.034 0.000 1.138 506 S CA 0.418 58.637 58.200 0.033 0.000 1.013 506 S CB 2.156 65.376 63.200 0.034 0.000 1.053 506 S HN 2.072 nan 8.310 nan 0.000 0.539 507 S N -0.199 115.521 115.700 0.033 0.000 2.579 507 S HA 0.586 5.055 4.470 -0.001 0.000 0.272 507 S C -1.313 173.308 174.600 0.035 0.000 1.141 507 S CA -0.691 57.532 58.200 0.038 0.000 0.843 507 S CB 1.382 64.603 63.200 0.034 0.000 1.122 507 S HN 0.756 nan 8.310 nan 0.000 0.468 508 V N 4.484 124.425 119.914 0.045 0.000 2.498 508 V HA 0.458 4.577 4.120 -0.001 0.000 0.279 508 V C 0.186 176.264 176.094 -0.026 0.000 1.048 508 V CA -0.467 61.833 62.300 0.000 0.000 0.967 508 V CB 0.948 32.758 31.823 -0.022 0.000 0.988 508 V HN 0.771 nan 8.190 nan 0.000 0.473 509 N N 2.791 121.453 118.700 -0.063 0.000 2.362 509 N HA 0.549 5.289 4.740 -0.001 0.000 0.299 509 N C -1.247 174.178 175.510 -0.141 0.000 1.170 509 N CA -0.557 52.463 53.050 -0.050 0.000 0.825 509 N CB 2.395 40.905 38.487 0.038 0.000 1.299 509 N HN 0.418 nan 8.380 nan 0.000 0.502 510 F N 0.656 120.650 119.950 0.074 0.000 2.404 510 F HA 0.129 4.655 4.527 -0.001 0.000 0.345 510 F C 1.745 177.574 175.800 0.048 0.000 1.110 510 F CA -0.362 57.664 58.000 0.044 0.000 1.130 510 F CB 1.232 40.213 39.000 -0.031 0.000 1.129 510 F HN 0.517 nan 8.300 nan 0.000 0.500 511 S N 0.151 115.996 115.700 0.242 0.000 2.511 511 S HA 0.168 4.637 4.470 -0.001 0.000 0.214 511 S C 0.350 175.029 174.600 0.131 0.000 0.997 511 S CA 0.038 58.330 58.200 0.153 0.000 0.908 511 S CB 0.283 63.551 63.200 0.115 0.000 0.803 511 S HN 0.483 nan 8.310 nan 0.000 0.504 512 S N 0.206 116.000 115.700 0.157 0.000 2.543 512 S HA 0.649 5.119 4.470 -0.001 0.000 0.271 512 S C -1.771 172.820 174.600 -0.015 0.000 1.148 512 S CA -0.813 57.430 58.200 0.072 0.000 0.914 512 S CB 1.196 64.445 63.200 0.081 0.000 1.096 512 S HN 0.353 nan 8.310 nan 0.000 0.471 513 L N 4.467 125.597 121.223 -0.155 0.000 2.485 513 L HA 0.510 4.849 4.340 -0.001 0.000 0.260 513 L C -0.184 176.553 176.870 -0.221 0.000 0.998 513 L CA -0.433 54.146 54.840 -0.434 0.000 0.883 513 L CB 1.482 43.092 42.059 -0.749 0.000 1.196 513 L HN 0.615 nan 8.230 nan 0.000 0.443 514 R N 3.152 123.588 120.500 -0.107 0.000 2.248 514 R HA 0.268 4.607 4.340 -0.001 0.000 0.337 514 R C -0.312 176.066 176.300 0.131 0.000 1.106 514 R CA -0.402 55.703 56.100 0.008 0.000 0.959 514 R CB 0.744 31.026 30.300 -0.030 0.000 1.075 514 R HN 0.375 nan 8.270 nan 0.000 0.480 515 K N 2.243 122.726 120.400 0.138 0.000 2.237 515 K HA 0.315 4.635 4.320 -0.001 0.000 0.270 515 K C 0.477 177.092 176.600 0.025 0.000 1.015 515 K CA 0.083 56.441 56.287 0.118 0.000 0.949 515 K CB 1.144 33.684 32.500 0.068 0.000 0.976 515 K HN 0.708 nan 8.250 nan 0.000 0.472 516 A N 0.000 122.802 122.820 -0.031 0.000 2.254 516 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 516 A CA 0.000 52.013 52.037 -0.040 0.000 0.836 516 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 516 A HN 0.000 nan 8.150 nan 0.000 0.486