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 1us1_1_A DATA FIRST_RESID 55 DATA SEQUENCE GQSQLFADLS REELTAVMRF LTQRLGPGLV DAAQARPSDN CVFSVELQLP DATA SEQUENCE PKAAALAHLD RGSPPPAREA LAIVFFGRQP QPNVSELVVG PLPHPSYMRD DATA SEQUENCE VTVERHGGPL PYHRRPVLFQ EYLDIDQMIF NRELPQASGL LHHCCFYXXX DATA SEQUENCE GRNLVTMTTA PRGLQSGDRA TWFGLYYNIS GAGFFLHHVG LELLVNHKAL DATA SEQUENCE DPARWTIQKV FYQGRYYDSL AQLEAQFEAG LVNVVLIPDN GTGGSWSLKS DATA SEQUENCE PVPPGPAPPL QFYPQGPRFS VQGSRVASSL WTFSFGLGAF SGPRIFDVRF DATA SEQUENCE QGERLVYEIS LQEALAIYGG NSPAAMTTRY VDGGFGMGKY TTPLTRGVDc DATA SEQUENCE PYLATYVDWH FLLESQAPKT IRDAFcVFEQ NQGLPLRRHH SDLYSHYFGG DATA SEQUENCE LAETVLVVRS MSTLLNXDYV WDTVFHPSGA IEIRFYATGY ISSAFLFGAT DATA SEQUENCE GKYGNQVSEH TLGTVHTHSA HFKVDLDVAG LENWVWAEDM VFVPMAVPWS DATA SEQUENCE PEHQLQRLQV TRKLLEMEEQ AAFLVGSATP RYLYLASNHS NKWGHPRGYR DATA SEQUENCE IQMLSFAGEP LPQNSSMARG FSWERYQLAV TQRKEEEPSS SSVFNQNDPW DATA SEQUENCE APTVDFSDFI NNETIAGKDL VAWVTAGFLH IPHAEDIPNT VTVGNGVGFF DATA SEQUENCE LRPYNFFDED PSFYSADSIY FRGDQDAGAc EVNPLAcLPQ AAACAPDLPA DATA SEQUENCE FSHGGFS 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 55 G HA2 0.000 nan 3.960 nan 0.000 0.244 55 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 55 G C 0.000 174.756 174.900 -0.240 0.000 0.946 55 G CA 0.000 44.844 45.100 -0.427 0.000 0.502 56 Q N 0.683 120.428 119.800 -0.091 0.000 2.280 56 Q HA 0.211 4.551 4.340 -0.000 0.000 0.202 56 Q C 1.172 177.211 176.000 0.064 0.000 0.903 56 Q CA -0.070 55.732 55.803 -0.000 0.000 0.948 56 Q CB 0.416 29.149 28.738 -0.008 0.000 1.058 56 Q HN 0.481 nan 8.270 nan 0.000 0.493 57 S N 0.377 116.193 115.700 0.193 0.000 2.603 57 S HA 0.130 4.600 4.470 -0.000 0.000 0.268 57 S C 0.073 174.689 174.600 0.026 0.000 1.317 57 S CA -0.134 58.136 58.200 0.117 0.000 1.012 57 S CB 0.684 63.944 63.200 0.101 0.000 0.926 57 S HN 0.233 nan 8.310 nan 0.000 0.539 58 Q N 2.888 122.659 119.800 -0.047 0.000 2.901 58 Q HA 0.244 4.584 4.340 -0.000 0.000 0.265 58 Q C 0.565 176.461 176.000 -0.173 0.000 1.263 58 Q CA -0.186 55.572 55.803 -0.076 0.000 1.088 58 Q CB 0.183 28.881 28.738 -0.068 0.000 1.339 58 Q HN 0.643 nan 8.270 nan 0.000 0.546 59 L N -0.548 120.473 121.223 -0.337 0.000 2.275 59 L HA -0.048 4.292 4.340 -0.000 0.000 0.215 59 L C 1.040 177.552 176.870 -0.597 0.000 1.119 59 L CA 1.270 55.766 54.840 -0.574 0.000 0.790 59 L CB -0.201 41.265 42.059 -0.988 0.000 0.919 59 L HN 0.485 nan 8.230 nan 0.000 0.443 60 F N 0.206 120.044 119.950 -0.185 0.000 2.653 60 F HA 0.331 4.858 4.527 -0.000 0.000 0.304 60 F C 1.364 177.075 175.800 -0.148 0.000 1.092 60 F CA -0.631 57.205 58.000 -0.273 0.000 1.279 60 F CB 0.155 38.935 39.000 -0.366 0.000 1.044 60 F HN -0.111 nan 8.300 nan 0.000 0.564 61 A N 0.812 123.627 122.820 -0.008 0.000 2.401 61 A HA 0.163 4.483 4.320 -0.000 0.000 0.259 61 A C 0.108 177.703 177.584 0.018 0.000 1.103 61 A CA -0.698 51.326 52.037 -0.021 0.000 0.789 61 A CB 0.012 18.969 19.000 -0.072 0.000 1.035 61 A HN 0.253 nan 8.150 nan 0.000 0.491 62 D N 1.806 122.258 120.400 0.087 0.000 2.478 62 D HA 0.063 4.703 4.640 -0.000 0.000 0.234 62 D C 0.069 176.385 176.300 0.026 0.000 1.154 62 D CA 0.366 54.447 54.000 0.134 0.000 0.874 62 D CB 0.549 41.539 40.800 0.316 0.000 1.198 62 D HN 0.431 nan 8.370 nan 0.000 0.455 63 L N 1.552 122.766 121.223 -0.015 0.000 2.490 63 L HA -0.027 4.312 4.340 -0.000 0.000 0.274 63 L C 1.507 178.290 176.870 -0.145 0.000 1.201 63 L CA -0.165 54.624 54.840 -0.085 0.000 0.869 63 L CB 0.328 42.332 42.059 -0.091 0.000 1.123 63 L HN 0.488 nan 8.230 nan 0.000 0.484 64 S N 3.474 119.058 115.700 -0.193 0.000 2.626 64 S HA 0.227 4.697 4.470 -0.000 0.000 0.257 64 S C 1.057 175.453 174.600 -0.340 0.000 1.288 64 S CA -0.647 57.357 58.200 -0.326 0.000 0.980 64 S CB 0.797 63.838 63.200 -0.266 0.000 0.975 64 S HN 0.633 nan 8.310 nan 0.000 0.577 65 R N 0.619 120.864 120.500 -0.425 0.000 2.119 65 R HA 0.048 4.388 4.340 -0.000 0.000 0.222 65 R C 2.064 178.242 176.300 -0.202 0.000 1.088 65 R CA 1.038 56.962 56.100 -0.292 0.000 0.984 65 R CB -0.451 29.695 30.300 -0.257 0.000 0.884 65 R HN 0.715 nan 8.270 nan 0.000 0.447 66 E N 1.670 121.756 120.200 -0.191 0.000 2.077 66 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 66 E C 1.737 178.243 176.600 -0.156 0.000 0.989 66 E CA 1.194 57.503 56.400 -0.152 0.000 0.800 66 E CB -0.005 29.608 29.700 -0.146 0.000 0.746 66 E HN 0.493 nan 8.360 nan 0.000 0.452 67 E N 0.509 120.605 120.200 -0.173 0.000 2.208 67 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 67 E C 2.150 178.663 176.600 -0.144 0.000 0.988 67 E CA 0.444 56.744 56.400 -0.167 0.000 0.828 67 E CB 0.056 29.657 29.700 -0.165 0.000 0.763 67 E HN 0.210 nan 8.360 nan 0.000 0.478 68 L N 0.332 121.468 121.223 -0.146 0.000 2.049 68 L HA -0.116 4.224 4.340 -0.000 0.000 0.203 68 L C 2.541 179.350 176.870 -0.103 0.000 1.074 68 L CA 1.210 55.973 54.840 -0.128 0.000 0.749 68 L CB -0.566 41.400 42.059 -0.155 0.000 0.907 68 L HN 0.083 nan 8.230 nan 0.000 0.439 69 T N 0.273 114.764 114.554 -0.106 0.000 2.653 69 T HA -0.289 4.061 4.350 -0.000 0.000 0.268 69 T C 2.005 176.676 174.700 -0.049 0.000 1.035 69 T CA 1.549 63.604 62.100 -0.076 0.000 1.154 69 T CB -0.451 68.371 68.868 -0.076 0.000 0.862 69 T HN 0.446 nan 8.240 nan 0.000 0.441 70 A N 0.921 123.702 122.820 -0.066 0.000 1.908 70 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 70 A C 2.588 180.169 177.584 -0.005 0.000 1.181 70 A CA 1.610 53.620 52.037 -0.044 0.000 0.627 70 A CB -0.942 17.994 19.000 -0.106 0.000 0.818 70 A HN 0.400 nan 8.150 nan 0.000 0.445 71 V N -0.701 119.186 119.914 -0.044 0.000 2.667 71 V HA -0.175 3.945 4.120 -0.000 0.000 0.252 71 V C 2.513 178.641 176.094 0.056 0.000 1.065 71 V CA 1.577 63.862 62.300 -0.024 0.000 1.083 71 V CB -0.575 31.204 31.823 -0.073 0.000 0.692 71 V HN 0.476 nan 8.190 nan 0.000 0.468 72 M N -0.071 119.543 119.600 0.022 0.000 2.123 72 M HA -0.038 4.442 4.480 -0.000 0.000 0.263 72 M C 2.330 178.665 176.300 0.059 0.000 1.069 72 M CA 1.627 56.943 55.300 0.028 0.000 1.133 72 M CB -0.965 31.628 32.600 -0.013 0.000 1.356 72 M HN 0.232 nan 8.290 nan 0.000 0.415 73 R N -1.425 119.109 120.500 0.056 0.000 2.083 73 R HA -0.192 4.148 4.340 -0.000 0.000 0.237 73 R C 2.170 178.519 176.300 0.082 0.000 1.137 73 R CA 1.761 57.892 56.100 0.053 0.000 0.951 73 R CB -0.759 29.568 30.300 0.044 0.000 0.851 73 R HN 0.259 nan 8.270 nan 0.000 0.434 74 F N 1.385 121.325 119.950 -0.016 0.000 2.120 74 F HA -0.239 4.288 4.527 -0.000 0.000 0.300 74 F C 1.973 177.777 175.800 0.006 0.000 1.095 74 F CA 1.557 59.552 58.000 -0.009 0.000 1.249 74 F CB -0.062 38.922 39.000 -0.028 0.000 0.995 74 F HN -0.053 nan 8.300 nan 0.000 0.480 75 L N -1.154 120.216 121.223 0.246 0.000 2.131 75 L HA -0.172 4.167 4.340 -0.000 0.000 0.206 75 L C 2.324 179.233 176.870 0.065 0.000 1.087 75 L CA 1.355 56.300 54.840 0.175 0.000 0.767 75 L CB -0.960 41.196 42.059 0.161 0.000 0.917 75 L HN 0.096 nan 8.230 nan 0.000 0.441 76 T N -0.774 113.804 114.554 0.041 0.000 2.570 76 T HA -0.268 4.082 4.350 -0.000 0.000 0.266 76 T C 1.853 176.546 174.700 -0.010 0.000 1.071 76 T CA 1.368 63.479 62.100 0.018 0.000 1.172 76 T CB -0.218 68.657 68.868 0.011 0.000 0.864 76 T HN 0.278 nan 8.240 nan 0.000 0.421 77 Q N 0.267 120.033 119.800 -0.058 0.000 2.248 77 Q HA -0.037 4.303 4.340 -0.000 0.000 0.208 77 Q C 2.009 177.948 176.000 -0.101 0.000 0.984 77 Q CA 1.333 57.079 55.803 -0.095 0.000 0.875 77 Q CB -0.170 28.467 28.738 -0.168 0.000 0.910 77 Q HN 0.423 nan 8.270 nan 0.000 0.433 78 R N -0.600 119.837 120.500 -0.104 0.000 2.508 78 R HA 0.266 4.606 4.340 -0.000 0.000 0.300 78 R C 1.001 177.317 176.300 0.026 0.000 0.970 78 R CA -0.098 55.954 56.100 -0.079 0.000 1.102 78 R CB 0.625 30.822 30.300 -0.171 0.000 1.246 78 R HN 0.096 nan 8.270 nan 0.000 0.539 79 L N 0.407 121.667 121.223 0.062 0.000 2.818 79 L HA 0.341 4.681 4.340 -0.000 0.000 0.243 79 L C 0.249 177.198 176.870 0.131 0.000 1.185 79 L CA -0.080 54.846 54.840 0.143 0.000 0.988 79 L CB 0.845 43.010 42.059 0.177 0.000 1.292 79 L HN 0.315 nan 8.230 nan 0.000 0.519 80 G N 0.992 109.833 108.800 0.070 0.000 2.733 80 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 80 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 80 G C -2.938 171.995 174.900 0.056 0.000 1.373 80 G CA -1.096 44.036 45.100 0.053 0.000 0.838 80 G HN 0.064 nan 8.290 nan 0.000 0.588 81 P HA 0.610 nan 4.420 nan 0.000 0.280 81 P C 0.860 178.188 177.300 0.048 0.000 1.272 81 P CA 1.040 64.163 63.100 0.037 0.000 0.819 81 P CB 1.179 32.893 31.700 0.023 0.000 1.122 82 G N -0.471 108.358 108.800 0.048 0.000 2.131 82 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.223 82 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.223 82 G C -0.451 174.495 174.900 0.076 0.000 0.990 82 G CA -0.428 44.706 45.100 0.057 0.000 0.671 82 G HN 0.584 nan 8.290 nan 0.000 0.521 83 L N 2.090 123.357 121.223 0.073 0.000 2.264 83 L HA 0.631 4.971 4.340 -0.000 0.000 0.287 83 L C 0.385 177.296 176.870 0.068 0.000 1.039 83 L CA -0.380 54.509 54.840 0.082 0.000 0.829 83 L CB 1.081 43.187 42.059 0.078 0.000 1.211 83 L HN -0.016 nan 8.230 nan 0.000 0.427 84 V N 3.550 123.511 119.914 0.078 0.000 2.686 84 V HA 0.176 4.296 4.120 -0.000 0.000 0.295 84 V C 0.309 176.444 176.094 0.069 0.000 1.057 84 V CA -0.932 61.412 62.300 0.073 0.000 1.012 84 V CB 1.594 33.469 31.823 0.087 0.000 1.006 84 V HN 0.682 nan 8.190 nan 0.000 0.477 85 D N 2.345 122.782 120.400 0.062 0.000 2.488 85 D HA 0.159 4.799 4.640 -0.000 0.000 0.238 85 D C 0.993 177.344 176.300 0.085 0.000 1.138 85 D CA 0.602 54.637 54.000 0.059 0.000 0.873 85 D CB 1.671 42.503 40.800 0.054 0.000 1.183 85 D HN 0.645 nan 8.370 nan 0.000 0.458 86 A N 4.050 126.919 122.820 0.081 0.000 1.969 86 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 86 A C 2.078 179.765 177.584 0.172 0.000 1.169 86 A CA 1.653 53.762 52.037 0.119 0.000 0.635 86 A CB -0.652 18.402 19.000 0.090 0.000 0.810 86 A HN 0.678 nan 8.150 nan 0.000 0.445 87 A N -1.333 121.580 122.820 0.155 0.000 2.125 87 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 87 A C 1.819 179.536 177.584 0.222 0.000 1.156 87 A CA 1.405 53.571 52.037 0.213 0.000 0.671 87 A CB -0.217 18.881 19.000 0.163 0.000 0.794 87 A HN 0.620 nan 8.150 nan 0.000 0.459 88 Q N -1.339 118.559 119.800 0.163 0.000 2.127 88 Q HA 0.348 4.688 4.340 -0.000 0.000 0.222 88 Q C 0.138 176.214 176.000 0.127 0.000 0.794 88 Q CA 0.117 56.001 55.803 0.135 0.000 1.010 88 Q CB 0.757 29.558 28.738 0.104 0.000 1.170 88 Q HN 0.541 nan 8.270 nan 0.000 0.479 89 A N 1.554 124.466 122.820 0.152 0.000 2.425 89 A HA 0.372 4.692 4.320 -0.000 0.000 0.249 89 A C 0.195 177.877 177.584 0.164 0.000 1.084 89 A CA -0.156 51.976 52.037 0.158 0.000 0.781 89 A CB 0.455 19.570 19.000 0.191 0.000 1.019 89 A HN 0.048 nan 8.150 nan 0.000 0.490 90 R N 1.842 122.427 120.500 0.142 0.000 2.549 90 R HA 0.310 4.650 4.340 -0.000 0.000 0.267 90 R C -1.831 174.586 176.300 0.194 0.000 1.045 90 R CA -2.259 53.921 56.100 0.134 0.000 1.115 90 R CB -0.248 30.095 30.300 0.071 0.000 1.121 90 R HN 0.413 nan 8.270 nan 0.000 0.543 91 P HA -0.128 nan 4.420 nan 0.000 0.217 91 P C 0.551 178.016 177.300 0.274 0.000 1.148 91 P CA 1.486 64.769 63.100 0.305 0.000 0.828 91 P CB 0.193 32.080 31.700 0.312 0.000 0.783 92 S N -2.803 112.987 115.700 0.150 0.000 2.605 92 S HA 0.113 4.583 4.470 -0.000 0.000 0.217 92 S C 0.482 175.134 174.600 0.088 0.000 0.958 92 S CA -0.358 57.886 58.200 0.074 0.000 0.919 92 S CB -0.498 62.723 63.200 0.034 0.000 0.780 92 S HN 0.023 nan 8.310 nan 0.000 0.507 93 D N 2.381 122.868 120.400 0.145 0.000 2.423 93 D HA 0.375 5.015 4.640 -0.000 0.000 0.255 93 D C -0.152 176.264 176.300 0.195 0.000 1.174 93 D CA -0.375 53.714 54.000 0.149 0.000 1.008 93 D CB 0.418 41.305 40.800 0.146 0.000 1.101 93 D HN 0.281 nan 8.370 nan 0.000 0.516 94 N N -0.815 117.992 118.700 0.177 0.000 2.466 94 N HA 0.610 5.350 4.740 -0.000 0.000 0.294 94 N C -1.194 174.395 175.510 0.132 0.000 1.129 94 N CA -0.499 52.664 53.050 0.189 0.000 0.931 94 N CB 1.655 40.284 38.487 0.236 0.000 1.193 94 N HN 0.159 nan 8.380 nan 0.000 0.500 95 C N 1.597 120.939 119.300 0.070 0.000 3.046 95 C HA 0.222 4.682 4.460 -0.000 0.000 0.388 95 C C -1.138 173.808 174.990 -0.073 0.000 1.041 95 C CA -0.562 58.474 59.018 0.031 0.000 1.241 95 C CB 0.622 28.419 27.740 0.095 0.000 1.638 95 C HN 0.437 nan 8.230 nan 0.000 0.539 96 V N 6.256 126.139 119.914 -0.051 0.000 2.334 96 V HA 0.244 4.364 4.120 -0.000 0.000 0.267 96 V C 0.671 176.722 176.094 -0.073 0.000 1.040 96 V CA -0.021 62.242 62.300 -0.061 0.000 0.866 96 V CB 0.848 32.659 31.823 -0.020 0.000 1.019 96 V HN 0.871 nan 8.190 nan 0.000 0.468 97 F N 4.024 123.760 119.950 -0.357 0.000 2.163 97 F HA 0.075 4.602 4.527 -0.000 0.000 0.297 97 F C 1.285 177.047 175.800 -0.064 0.000 1.094 97 F CA 1.063 58.829 58.000 -0.391 0.000 1.290 97 F CB 0.383 38.911 39.000 -0.787 0.000 1.017 97 F HN 0.561 nan 8.300 nan 0.000 0.483 98 S N -0.206 115.452 115.700 -0.071 0.000 2.533 98 S HA 0.673 5.143 4.470 -0.000 0.000 0.271 98 S C -1.581 173.044 174.600 0.043 0.000 1.143 98 S CA -0.666 57.505 58.200 -0.048 0.000 0.891 98 S CB 1.498 64.792 63.200 0.157 0.000 1.105 98 S HN -0.073 nan 8.310 nan 0.000 0.468 99 V N 3.289 123.208 119.914 0.009 0.000 2.525 99 V HA 0.751 4.871 4.120 -0.000 0.000 0.299 99 V C -0.518 175.587 176.094 0.018 0.000 1.034 99 V CA -0.398 61.916 62.300 0.023 0.000 0.863 99 V CB 1.233 33.047 31.823 -0.015 0.000 0.999 99 V HN 1.086 nan 8.190 nan 0.000 0.423 100 E N 4.265 124.500 120.200 0.059 0.000 2.433 100 E HA 0.639 4.989 4.350 -0.000 0.000 0.278 100 E C -1.016 175.625 176.600 0.068 0.000 0.976 100 E CA -1.250 55.188 56.400 0.063 0.000 0.793 100 E CB 2.242 32.008 29.700 0.110 0.000 1.311 100 E HN 0.449 nan 8.360 nan 0.000 0.460 101 L N 1.647 122.909 121.223 0.065 0.000 2.640 101 L HA 0.019 4.359 4.340 -0.000 0.000 0.280 101 L C -0.198 176.721 176.870 0.081 0.000 1.229 101 L CA 0.684 55.556 54.840 0.053 0.000 0.919 101 L CB 0.393 42.488 42.059 0.059 0.000 1.168 101 L HN 0.657 nan 8.230 nan 0.000 0.496 102 Q N 4.834 124.669 119.800 0.059 0.000 2.337 102 Q HA 0.388 4.728 4.340 -0.000 0.000 0.255 102 Q C -0.979 175.055 176.000 0.058 0.000 0.997 102 Q CA -0.016 55.834 55.803 0.079 0.000 0.925 102 Q CB 0.464 29.245 28.738 0.072 0.000 1.212 102 Q HN 0.754 nan 8.270 nan 0.000 0.436 103 L N 6.790 128.064 121.223 0.086 0.000 2.485 103 L HA 0.245 4.584 4.340 -0.000 0.000 0.275 103 L C -1.635 175.275 176.870 0.065 0.000 1.207 103 L CA -1.394 53.487 54.840 0.069 0.000 0.855 103 L CB 0.078 42.213 42.059 0.127 0.000 1.114 103 L HN 0.666 nan 8.230 nan 0.000 0.485 104 P HA 0.248 nan 4.420 nan 0.000 0.276 104 P C -2.617 174.743 177.300 0.100 0.000 1.244 104 P CA -1.492 61.618 63.100 0.017 0.000 0.801 104 P CB -0.026 31.618 31.700 -0.092 0.000 1.006 105 P HA 0.195 nan 4.420 nan 0.000 0.275 105 P C 0.651 178.004 177.300 0.088 0.000 1.228 105 P CA -0.275 62.870 63.100 0.076 0.000 0.786 105 P CB 1.361 33.085 31.700 0.041 0.000 0.927 106 K N 1.986 122.411 120.400 0.042 0.000 2.031 106 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 106 K C 2.000 178.602 176.600 0.003 0.000 1.049 106 K CA 1.346 57.616 56.287 -0.028 0.000 0.939 106 K CB -0.700 31.602 32.500 -0.330 0.000 0.717 106 K HN 0.462 nan 8.250 nan 0.000 0.438 107 A N 1.449 124.260 122.820 -0.016 0.000 1.873 107 A HA -0.320 4.000 4.320 -0.000 0.000 0.219 107 A C 2.402 180.010 177.584 0.039 0.000 1.269 107 A CA 2.861 54.901 52.037 0.005 0.000 0.671 107 A CB -1.563 17.437 19.000 0.000 0.000 0.842 107 A HN 0.526 nan 8.150 nan 0.000 0.460 108 A N -0.892 121.950 122.820 0.038 0.000 1.948 108 A HA 0.089 4.409 4.320 -0.000 0.000 0.220 108 A C 2.532 180.157 177.584 0.069 0.000 1.177 108 A CA 2.680 54.742 52.037 0.041 0.000 0.636 108 A CB -1.116 17.892 19.000 0.014 0.000 0.815 108 A HN 1.373 nan 8.150 nan 0.000 0.449 109 A N -0.449 122.428 122.820 0.095 0.000 1.898 109 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 109 A C 2.178 179.891 177.584 0.216 0.000 1.181 109 A CA 1.501 53.617 52.037 0.131 0.000 0.620 109 A CB -0.535 18.619 19.000 0.257 0.000 0.819 109 A HN 0.475 nan 8.150 nan 0.000 0.442 110 L N -0.904 120.452 121.223 0.223 0.000 2.072 110 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 110 L C 3.082 180.035 176.870 0.140 0.000 1.079 110 L CA 0.784 55.746 54.840 0.203 0.000 0.752 110 L CB -0.627 41.531 42.059 0.165 0.000 0.906 110 L HN 0.412 nan 8.230 nan 0.000 0.436 111 A N 0.001 122.888 122.820 0.112 0.000 1.940 111 A HA -0.362 3.958 4.320 -0.000 0.000 0.221 111 A C 2.122 179.770 177.584 0.106 0.000 1.190 111 A CA 2.560 54.651 52.037 0.089 0.000 0.647 111 A CB -0.931 18.113 19.000 0.074 0.000 0.821 111 A HN 0.577 nan 8.150 nan 0.000 0.457 112 H N -0.751 118.336 119.070 0.028 0.000 2.307 112 H HA 0.115 4.671 4.556 -0.000 0.000 0.303 112 H C 1.774 177.117 175.328 0.025 0.000 1.073 112 H CA 1.792 57.847 56.048 0.013 0.000 1.338 112 H CB -0.248 29.506 29.762 -0.014 0.000 1.389 112 H HN 0.341 nan 8.280 nan 0.000 0.503 113 L N -0.145 121.114 121.223 0.060 0.000 2.141 113 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 113 L C 1.518 178.383 176.870 -0.008 0.000 1.094 113 L CA 1.338 56.185 54.840 0.012 0.000 0.763 113 L CB -0.065 42.092 42.059 0.164 0.000 0.908 113 L HN 0.386 nan 8.230 nan 0.000 0.437 114 D N -1.013 119.404 120.400 0.029 0.000 2.490 114 D HA 0.028 4.668 4.640 -0.000 0.000 0.244 114 D C 1.835 178.138 176.300 0.005 0.000 0.979 114 D CA 0.689 54.707 54.000 0.031 0.000 0.924 114 D CB 0.219 41.059 40.800 0.066 0.000 1.075 114 D HN 0.083 nan 8.370 nan 0.000 0.488 115 R N -0.086 120.418 120.500 0.007 0.000 2.427 115 R HA 0.236 4.575 4.340 -0.000 0.000 0.262 115 R C 0.890 177.179 176.300 -0.018 0.000 0.943 115 R CA 0.370 56.472 56.100 0.003 0.000 1.081 115 R CB 0.761 31.073 30.300 0.021 0.000 1.166 115 R HN 0.171 nan 8.270 nan 0.000 0.534 116 G N 0.735 109.496 108.800 -0.064 0.000 2.189 116 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.267 116 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.267 116 G C 0.332 175.215 174.900 -0.028 0.000 0.975 116 G CA 0.665 45.711 45.100 -0.090 0.000 0.644 116 G HN 0.373 nan 8.290 nan 0.000 0.537 117 S N 1.973 117.689 115.700 0.027 0.000 2.572 117 S HA 0.393 4.863 4.470 -0.000 0.000 0.262 117 S C -1.578 173.123 174.600 0.169 0.000 1.375 117 S CA 0.054 58.299 58.200 0.075 0.000 0.996 117 S CB 0.575 63.819 63.200 0.072 0.000 0.892 117 S HN 0.445 nan 8.310 nan 0.000 0.562 118 P HA 0.294 nan 4.420 nan 0.000 0.275 118 P C -2.614 174.731 177.300 0.074 0.000 1.228 118 P CA -1.601 61.574 63.100 0.125 0.000 0.786 118 P CB -0.607 31.121 31.700 0.046 0.000 0.927 119 P HA 0.240 nan 4.420 nan 0.000 0.274 119 P C -2.301 174.856 177.300 -0.239 0.000 1.231 119 P CA -1.407 61.381 63.100 -0.520 0.000 0.790 119 P CB -0.945 30.248 31.700 -0.845 0.000 0.951 120 P HA 0.202 nan 4.420 nan 0.000 0.276 120 P C -0.511 176.727 177.300 -0.103 0.000 1.244 120 P CA -0.448 62.586 63.100 -0.110 0.000 0.801 120 P CB 0.378 32.027 31.700 -0.086 0.000 1.006 121 A N 2.518 125.312 122.820 -0.043 0.000 2.567 121 A HA 0.019 4.338 4.320 -0.000 0.000 0.240 121 A C 0.687 178.243 177.584 -0.046 0.000 1.053 121 A CA -0.052 51.976 52.037 -0.015 0.000 0.755 121 A CB -0.464 18.579 19.000 0.072 0.000 0.978 121 A HN 0.612 nan 8.150 nan 0.000 0.507 122 R N 2.696 123.151 120.500 -0.076 0.000 2.248 122 R HA 0.270 4.610 4.340 -0.000 0.000 0.328 122 R C -0.482 175.767 176.300 -0.086 0.000 1.067 122 R CA 0.124 56.166 56.100 -0.098 0.000 0.924 122 R CB 0.250 30.475 30.300 -0.124 0.000 1.013 122 R HN 0.856 nan 8.270 nan 0.000 0.454 123 E N 2.189 122.351 120.200 -0.063 0.000 2.299 123 E HA 0.629 4.979 4.350 -0.000 0.000 0.260 123 E C -1.143 175.423 176.600 -0.056 0.000 0.944 123 E CA -1.204 55.159 56.400 -0.062 0.000 0.815 123 E CB 2.044 31.753 29.700 0.013 0.000 1.252 123 E HN 0.680 nan 8.360 nan 0.000 0.418 124 A N 1.081 123.863 122.820 -0.065 0.000 2.386 124 A HA 0.754 5.074 4.320 -0.000 0.000 0.308 124 A C -1.561 176.035 177.584 0.020 0.000 1.128 124 A CA -0.626 51.396 52.037 -0.026 0.000 0.789 124 A CB 1.100 20.065 19.000 -0.057 0.000 1.325 124 A HN 0.463 nan 8.150 nan 0.000 0.437 125 L N 0.829 122.091 121.223 0.065 0.000 2.376 125 L HA 0.766 5.106 4.340 -0.000 0.000 0.275 125 L C -0.128 176.820 176.870 0.130 0.000 0.987 125 L CA -0.160 54.748 54.840 0.113 0.000 0.828 125 L CB 1.604 43.755 42.059 0.154 0.000 1.249 125 L HN 0.928 nan 8.230 nan 0.000 0.409 126 A N 5.911 128.808 122.820 0.128 0.000 2.317 126 A HA 0.757 5.077 4.320 -0.000 0.000 0.327 126 A C -0.754 176.937 177.584 0.179 0.000 1.178 126 A CA -0.540 51.575 52.037 0.130 0.000 0.817 126 A CB 0.775 19.829 19.000 0.090 0.000 1.189 126 A HN 0.681 nan 8.150 nan 0.000 0.489 127 I N 2.164 122.866 120.570 0.219 0.000 2.359 127 I HA 0.402 4.572 4.170 -0.000 0.000 0.294 127 I C -0.737 175.470 176.117 0.150 0.000 0.987 127 I CA -0.576 60.892 61.300 0.280 0.000 1.225 127 I CB 1.798 40.082 38.000 0.473 0.000 1.366 127 I HN 0.287 nan 8.210 nan 0.000 0.466 128 V N 6.696 126.667 119.914 0.095 0.000 2.483 128 V HA 0.353 4.473 4.120 -0.000 0.000 0.297 128 V C -0.539 175.567 176.094 0.021 0.000 1.027 128 V CA -0.620 61.606 62.300 -0.123 0.000 0.855 128 V CB 1.520 33.089 31.823 -0.423 0.000 0.995 128 V HN 0.321 nan 8.190 nan 0.000 0.424 129 F N 4.802 124.684 119.950 -0.113 0.000 2.413 129 F HA 0.465 4.992 4.527 -0.000 0.000 0.359 129 F C 0.058 175.857 175.800 -0.002 0.000 1.122 129 F CA -1.433 56.590 58.000 0.039 0.000 1.160 129 F CB 0.248 39.322 39.000 0.123 0.000 1.146 129 F HN 0.326 nan 8.300 nan 0.000 0.514 130 F N 2.048 122.225 119.950 0.379 0.000 2.425 130 F HA 0.363 4.890 4.527 -0.000 0.000 0.354 130 F C 1.330 177.103 175.800 -0.044 0.000 1.162 130 F CA -0.767 57.327 58.000 0.155 0.000 1.250 130 F CB 0.645 39.695 39.000 0.083 0.000 1.579 130 F HN 0.586 nan 8.300 nan 0.000 0.589 131 G N 1.371 110.244 108.800 0.121 0.000 2.662 131 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.212 131 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.212 131 G C 1.109 175.947 174.900 -0.104 0.000 1.141 131 G CA -0.329 44.648 45.100 -0.205 0.000 0.797 131 G HN 0.376 nan 8.290 nan 0.000 0.531 132 R N 1.396 121.914 120.500 0.029 0.000 3.701 132 R HA 0.273 4.612 4.340 -0.000 0.000 0.210 132 R C -0.247 176.047 176.300 -0.010 0.000 1.598 132 R CA -0.057 56.056 56.100 0.021 0.000 1.427 132 R CB -0.562 29.779 30.300 0.069 0.000 1.339 132 R HN 0.495 nan 8.270 nan 0.000 0.720 133 Q N 0.449 120.217 119.800 -0.054 0.000 2.721 133 Q HA 0.243 4.583 4.340 -0.000 0.000 0.282 133 Q C -2.506 173.452 176.000 -0.069 0.000 0.932 133 Q CA -1.723 54.044 55.803 -0.060 0.000 0.816 133 Q CB 0.906 29.599 28.738 -0.075 0.000 1.506 133 Q HN -0.002 nan 8.270 nan 0.000 0.399 134 P HA -0.253 nan 4.420 nan 0.000 0.221 134 P C -0.353 176.914 177.300 -0.054 0.000 1.160 134 P CA 1.741 64.812 63.100 -0.047 0.000 0.933 134 P CB 0.154 31.830 31.700 -0.040 0.000 0.793 135 Q N -0.836 118.928 119.800 -0.061 0.000 2.508 135 Q HA 0.324 4.664 4.340 -0.000 0.000 0.247 135 Q C -2.546 173.404 176.000 -0.083 0.000 1.047 135 Q CA -1.811 53.956 55.803 -0.060 0.000 0.783 135 Q CB 1.411 30.125 28.738 -0.039 0.000 1.172 135 Q HN 0.158 nan 8.270 nan 0.000 0.515 136 P HA 0.081 nan 4.420 nan 0.000 0.276 136 P C -1.077 176.168 177.300 -0.092 0.000 1.230 136 P CA -0.411 62.533 63.100 -0.259 0.000 0.776 136 P CB 0.766 32.029 31.700 -0.728 0.000 0.888 137 N N 1.008 119.748 118.700 0.068 0.000 2.453 137 N HA 0.529 5.269 4.740 -0.000 0.000 0.290 137 N C -1.289 174.395 175.510 0.289 0.000 1.250 137 N CA -1.002 52.140 53.050 0.154 0.000 0.815 137 N CB 0.720 39.261 38.487 0.090 0.000 1.381 137 N HN 0.005 nan 8.380 nan 0.000 0.510 138 V N -0.064 119.912 119.914 0.104 0.000 2.612 138 V HA 0.685 4.805 4.120 -0.000 0.000 0.301 138 V C -0.264 175.863 176.094 0.056 0.000 1.046 138 V CA -0.467 61.866 62.300 0.056 0.000 0.946 138 V CB 1.339 33.030 31.823 -0.220 0.000 1.003 138 V HN 0.823 nan 8.190 nan 0.000 0.459 139 S N 2.129 117.906 115.700 0.129 0.000 2.548 139 S HA 0.445 4.915 4.470 -0.000 0.000 0.276 139 S C -1.048 173.654 174.600 0.169 0.000 1.129 139 S CA -0.842 57.447 58.200 0.147 0.000 0.931 139 S CB 1.648 65.026 63.200 0.297 0.000 1.068 139 S HN 0.783 nan 8.310 nan 0.000 0.480 140 E N 2.621 122.929 120.200 0.180 0.000 2.174 140 E HA 0.523 4.873 4.350 -0.000 0.000 0.282 140 E C -1.078 175.640 176.600 0.196 0.000 0.992 140 E CA -0.549 55.987 56.400 0.226 0.000 0.803 140 E CB 1.253 31.127 29.700 0.289 0.000 1.090 140 E HN 0.383 nan 8.360 nan 0.000 0.396 141 L N 2.073 123.405 121.223 0.182 0.000 2.385 141 L HA 0.466 4.805 4.340 -0.000 0.000 0.273 141 L C -0.363 176.593 176.870 0.143 0.000 0.990 141 L CA -1.292 53.648 54.840 0.168 0.000 0.821 141 L CB 1.781 43.944 42.059 0.173 0.000 1.279 141 L HN 0.247 nan 8.230 nan 0.000 0.412 142 V N 3.309 123.308 119.914 0.142 0.000 2.546 142 V HA 0.422 4.542 4.120 -0.000 0.000 0.284 142 V C 0.015 176.152 176.094 0.071 0.000 1.050 142 V CA -0.486 61.884 62.300 0.116 0.000 0.981 142 V CB 1.935 33.848 31.823 0.149 0.000 0.990 142 V HN 0.476 nan 8.190 nan 0.000 0.474 143 V N 3.688 123.568 119.914 -0.056 0.000 2.524 143 V HA 0.909 5.029 4.120 -0.000 0.000 0.297 143 V C 0.341 176.135 176.094 -0.501 0.000 1.035 143 V CA 0.201 62.324 62.300 -0.295 0.000 0.867 143 V CB 1.422 33.083 31.823 -0.269 0.000 1.004 143 V HN 1.109 nan 8.190 nan 0.000 0.426 144 G N 5.731 113.902 108.800 -1.048 0.000 2.663 144 G HA2 0.793 4.753 3.960 -0.000 0.000 0.299 144 G HA3 0.793 4.753 3.960 -0.000 0.000 0.299 144 G C -3.442 170.671 174.900 -1.312 0.000 1.372 144 G CA -1.048 43.458 45.100 -0.989 0.000 0.781 144 G HN 0.468 nan 8.290 nan 0.000 0.491 145 P HA 0.600 nan 4.420 nan 0.000 0.283 145 P C -0.846 176.341 177.300 -0.189 0.000 1.278 145 P CA -0.607 62.369 63.100 -0.206 0.000 0.834 145 P CB 2.063 33.763 31.700 -0.000 0.000 1.150 146 L N 1.740 122.872 121.223 -0.151 0.000 2.331 146 L HA 0.415 4.755 4.340 -0.000 0.000 0.275 146 L C -1.229 175.562 176.870 -0.132 0.000 1.022 146 L CA -1.608 53.133 54.840 -0.166 0.000 0.812 146 L CB 1.514 43.472 42.059 -0.169 0.000 1.257 146 L HN 0.318 nan 8.230 nan 0.000 0.435 147 P HA 0.071 nan 4.420 nan 0.000 0.257 147 P C -0.421 176.583 177.300 -0.494 0.000 1.281 147 P CA 0.422 63.304 63.100 -0.364 0.000 0.826 147 P CB 0.222 31.645 31.700 -0.462 0.000 1.237 148 H N 1.430 120.453 119.070 -0.079 0.000 2.530 148 H HA 0.264 4.820 4.556 -0.000 0.000 0.246 148 H C -2.321 172.953 175.328 -0.089 0.000 1.346 148 H CA -2.046 53.970 56.048 -0.054 0.000 1.424 148 H CB 0.798 30.547 29.762 -0.022 0.000 1.445 148 H HN 0.156 nan 8.280 nan 0.000 0.511 149 P HA -0.035 nan 4.420 nan 0.000 0.265 149 P C 0.856 178.054 177.300 -0.169 0.000 1.193 149 P CA 0.205 63.083 63.100 -0.369 0.000 0.765 149 P CB 1.192 32.459 31.700 -0.721 0.000 0.823 150 S N 1.702 117.284 115.700 -0.197 0.000 2.733 150 S HA 0.192 4.662 4.470 -0.000 0.000 0.247 150 S C -0.057 174.705 174.600 0.270 0.000 1.043 150 S CA -0.386 57.918 58.200 0.173 0.000 1.066 150 S CB -0.381 62.923 63.200 0.174 0.000 1.045 150 S HN 0.509 nan 8.310 nan 0.000 0.586 151 Y N -0.723 119.574 120.300 -0.006 0.000 2.655 151 Y HA 0.815 5.365 4.550 -0.000 0.000 0.336 151 Y C -1.043 174.850 175.900 -0.012 0.000 1.154 151 Y CA -1.606 56.549 58.100 0.091 0.000 1.055 151 Y CB 1.217 39.704 38.460 0.045 0.000 1.295 151 Y HN 0.210 nan 8.280 nan 0.000 0.465 152 M N 3.069 122.898 119.600 0.382 0.000 2.294 152 M HA 0.644 5.124 4.480 -0.000 0.000 0.280 152 M C -2.304 174.161 176.300 0.274 0.000 1.085 152 M CA -0.520 54.944 55.300 0.273 0.000 0.969 152 M CB 2.385 35.194 32.600 0.348 0.000 1.770 152 M HN 1.014 nan 8.290 nan 0.000 0.485 153 R N 1.150 121.790 120.500 0.233 0.000 2.854 153 R HA 0.705 5.045 4.340 -0.000 0.000 0.271 153 R C -1.410 174.985 176.300 0.159 0.000 0.994 153 R CA -0.899 55.303 56.100 0.171 0.000 0.945 153 R CB 1.360 31.735 30.300 0.126 0.000 1.194 153 R HN 0.586 nan 8.270 nan 0.000 0.476 154 D N 1.773 122.258 120.400 0.141 0.000 2.456 154 D HA 0.066 4.706 4.640 -0.000 0.000 0.219 154 D C 0.894 177.270 176.300 0.127 0.000 1.126 154 D CA -0.804 53.284 54.000 0.146 0.000 0.890 154 D CB 1.495 42.382 40.800 0.146 0.000 1.025 154 D HN 0.504 nan 8.370 nan 0.000 0.511 155 V N 1.377 121.376 119.914 0.142 0.000 3.510 155 V HA -0.039 4.081 4.120 -0.000 0.000 0.270 155 V C 1.717 177.906 176.094 0.159 0.000 1.201 155 V CA 0.974 63.360 62.300 0.143 0.000 1.166 155 V CB -0.997 30.919 31.823 0.154 0.000 0.825 155 V HN 0.431 nan 8.190 nan 0.000 0.484 156 T N 1.715 116.347 114.554 0.130 0.000 2.665 156 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 156 T C 1.905 176.629 174.700 0.040 0.000 1.035 156 T CA 2.223 64.355 62.100 0.053 0.000 1.151 156 T CB -0.425 68.431 68.868 -0.020 0.000 0.862 156 T HN 0.499 nan 8.240 nan 0.000 0.438 157 V N 1.305 121.250 119.914 0.053 0.000 2.379 157 V HA -0.069 4.051 4.120 -0.000 0.000 0.245 157 V C 2.457 178.605 176.094 0.090 0.000 1.044 157 V CA 1.472 63.800 62.300 0.047 0.000 1.036 157 V CB -0.621 31.225 31.823 0.038 0.000 0.664 157 V HN 0.517 nan 8.190 nan 0.000 0.453 158 E N 0.136 120.398 120.200 0.102 0.000 2.268 158 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 158 E C 2.313 178.993 176.600 0.133 0.000 0.995 158 E CA 1.015 57.476 56.400 0.101 0.000 0.836 158 E CB 0.149 29.903 29.700 0.090 0.000 0.763 158 E HN 0.544 nan 8.360 nan 0.000 0.491 159 R N -1.306 119.326 120.500 0.219 0.000 2.121 159 R HA 0.108 4.448 4.340 -0.000 0.000 0.206 159 R C 1.076 177.545 176.300 0.281 0.000 1.094 159 R CA 0.906 57.151 56.100 0.243 0.000 1.055 159 R CB 0.287 30.753 30.300 0.277 0.000 0.964 159 R HN 0.354 nan 8.270 nan 0.000 0.473 160 H N -1.623 117.489 119.070 0.070 0.000 2.475 160 H HA 0.343 4.899 4.556 -0.000 0.000 0.276 160 H C 0.437 175.789 175.328 0.041 0.000 1.126 160 H CA -0.148 55.937 56.048 0.062 0.000 1.023 160 H CB 1.059 30.859 29.762 0.063 0.000 1.669 160 H HN 0.376 nan 8.280 nan 0.000 0.573 161 G N 0.754 109.642 108.800 0.146 0.000 2.258 161 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.274 161 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.274 161 G C 0.453 175.379 174.900 0.043 0.000 1.021 161 G CA 0.396 45.544 45.100 0.080 0.000 0.798 161 G HN 1.022 nan 8.290 nan 0.000 0.507 162 G N -1.675 107.134 108.800 0.015 0.000 2.321 162 G HA2 0.642 4.602 3.960 -0.000 0.000 0.298 162 G HA3 0.642 4.602 3.960 -0.000 0.000 0.298 162 G C -2.965 171.895 174.900 -0.066 0.000 1.385 162 G CA 0.045 45.136 45.100 -0.015 0.000 0.856 162 G HN 0.487 nan 8.290 nan 0.000 0.584 163 P HA 0.412 nan 4.420 nan 0.000 0.273 163 P C -0.270 176.934 177.300 -0.160 0.000 1.250 163 P CA -0.424 62.622 63.100 -0.090 0.000 0.793 163 P CB 0.824 32.494 31.700 -0.050 0.000 1.011 164 L N 2.201 123.297 121.223 -0.212 0.000 2.272 164 L HA 0.297 4.637 4.340 -0.000 0.000 0.284 164 L C -2.127 174.572 176.870 -0.285 0.000 1.045 164 L CA -2.099 52.545 54.840 -0.326 0.000 0.842 164 L CB 0.983 42.724 42.059 -0.530 0.000 1.224 164 L HN 0.160 nan 8.230 nan 0.000 0.430 165 P HA -0.180 nan 4.420 nan 0.000 0.261 165 P C 0.141 177.181 177.300 -0.433 0.000 1.165 165 P CA 0.428 63.321 63.100 -0.345 0.000 0.759 165 P CB 0.361 31.759 31.700 -0.504 0.000 0.772 166 Y N 3.819 123.893 120.300 -0.376 0.000 2.421 166 Y HA -0.220 4.330 4.550 -0.000 0.000 0.292 166 Y C 2.129 177.841 175.900 -0.312 0.000 1.136 166 Y CA 1.806 59.724 58.100 -0.303 0.000 1.255 166 Y CB -0.613 37.758 38.460 -0.148 0.000 0.991 166 Y HN 0.544 nan 8.280 nan 0.000 0.552 167 H N -2.470 116.538 119.070 -0.104 0.000 2.547 167 H HA 0.159 4.715 4.556 -0.000 0.000 0.272 167 H C 1.848 177.083 175.328 -0.154 0.000 0.989 167 H CA 0.691 56.656 56.048 -0.137 0.000 1.214 167 H CB -0.463 29.276 29.762 -0.038 0.000 1.389 167 H HN 0.141 nan 8.280 nan 0.000 0.577 168 R N 1.169 121.456 120.500 -0.355 0.000 2.189 168 R HA -0.008 4.332 4.340 -0.000 0.000 0.218 168 R C 0.696 176.944 176.300 -0.087 0.000 1.074 168 R CA 0.413 56.438 56.100 -0.125 0.000 0.991 168 R CB -0.069 30.104 30.300 -0.211 0.000 0.883 168 R HN 0.484 nan 8.270 nan 0.000 0.457 169 R N 2.586 122.867 120.500 -0.366 0.000 2.583 169 R HA 0.035 4.375 4.340 -0.000 0.000 0.274 169 R C -2.530 173.562 176.300 -0.347 0.000 0.998 169 R CA -1.273 54.502 56.100 -0.540 0.000 1.081 169 R CB -0.411 29.036 30.300 -1.422 0.000 0.940 169 R HN -0.204 nan 8.270 nan 0.000 0.413 170 P HA -0.111 nan 4.420 nan 0.000 0.266 170 P C -0.552 176.657 177.300 -0.152 0.000 1.193 170 P CA -0.078 62.922 63.100 -0.166 0.000 0.770 170 P CB 0.430 32.090 31.700 -0.066 0.000 0.836 171 V N 4.760 124.588 119.914 -0.143 0.000 2.446 171 V HA -0.025 4.095 4.120 -0.000 0.000 0.276 171 V C 0.907 176.916 176.094 -0.141 0.000 1.030 171 V CA 0.255 62.415 62.300 -0.233 0.000 1.033 171 V CB -0.712 30.791 31.823 -0.534 0.000 0.993 171 V HN 0.348 nan 8.190 nan 0.000 0.477 172 L N 4.174 125.414 121.223 0.029 0.000 2.473 172 L HA 0.157 4.497 4.340 -0.000 0.000 0.268 172 L C 1.381 178.377 176.870 0.211 0.000 1.215 172 L CA -0.152 54.836 54.840 0.247 0.000 0.823 172 L CB 0.040 42.286 42.059 0.312 0.000 1.099 172 L HN 0.627 nan 8.230 nan 0.000 0.483 173 F N 0.280 120.386 119.950 0.260 0.000 2.216 173 F HA -0.193 4.334 4.527 -0.000 0.000 0.300 173 F C 2.385 178.348 175.800 0.272 0.000 1.085 173 F CA 1.455 59.655 58.000 0.334 0.000 1.326 173 F CB -0.102 39.077 39.000 0.299 0.000 1.027 173 F HN 0.515 nan 8.300 nan 0.000 0.497 174 Q N 0.697 120.563 119.800 0.110 0.000 2.079 174 Q HA -0.226 4.114 4.340 -0.000 0.000 0.200 174 Q C 2.291 178.319 176.000 0.047 0.000 0.974 174 Q CA 1.794 57.607 55.803 0.015 0.000 0.840 174 Q CB -0.484 28.327 28.738 0.122 0.000 0.898 174 Q HN 0.614 nan 8.270 nan 0.000 0.430 175 E N -0.759 119.497 120.200 0.093 0.000 2.097 175 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 175 E C 1.670 178.308 176.600 0.063 0.000 1.000 175 E CA 1.194 57.660 56.400 0.109 0.000 0.804 175 E CB -0.042 29.657 29.700 -0.002 0.000 0.740 175 E HN 0.323 nan 8.360 nan 0.000 0.454 176 Y N 0.126 120.464 120.300 0.064 0.000 2.242 176 Y HA -0.131 4.419 4.550 -0.000 0.000 0.291 176 Y C 2.102 177.989 175.900 -0.022 0.000 1.137 176 Y CA 0.803 58.939 58.100 0.060 0.000 1.181 176 Y CB -0.321 38.237 38.460 0.164 0.000 0.989 176 Y HN 0.106 nan 8.280 nan 0.000 0.527 177 L N -0.554 120.683 121.223 0.023 0.000 2.109 177 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 177 L C 1.927 178.823 176.870 0.043 0.000 1.086 177 L CA 1.173 55.983 54.840 -0.051 0.000 0.760 177 L CB -0.305 41.620 42.059 -0.223 0.000 0.910 177 L HN 0.133 nan 8.230 nan 0.000 0.437 178 D N 0.078 120.535 120.400 0.096 0.000 2.117 178 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 178 D C 2.243 178.692 176.300 0.248 0.000 0.987 178 D CA 1.345 55.444 54.000 0.165 0.000 0.829 178 D CB -0.057 40.887 40.800 0.241 0.000 0.961 178 D HN 0.322 nan 8.370 nan 0.000 0.460 179 I N 1.005 121.711 120.570 0.227 0.000 2.286 179 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 179 I C 1.606 177.686 176.117 -0.061 0.000 1.115 179 I CA 1.144 62.454 61.300 0.017 0.000 1.392 179 I CB -0.044 37.773 38.000 -0.306 0.000 1.065 179 I HN -0.143 nan 8.210 nan 0.000 0.418 180 D N -0.090 120.325 120.400 0.024 0.000 2.234 180 D HA -0.156 4.484 4.640 -0.000 0.000 0.205 180 D C 2.097 178.531 176.300 0.223 0.000 0.962 180 D CA 0.669 54.752 54.000 0.138 0.000 0.855 180 D CB -0.039 40.913 40.800 0.253 0.000 0.951 180 D HN 0.299 nan 8.370 nan 0.000 0.500 181 Q N -0.117 119.770 119.800 0.145 0.000 2.020 181 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 181 Q C 2.157 178.218 176.000 0.101 0.000 0.982 181 Q CA 1.071 56.950 55.803 0.126 0.000 0.838 181 Q CB -0.100 28.683 28.738 0.076 0.000 0.899 181 Q HN 0.265 nan 8.270 nan 0.000 0.423 182 M N 0.013 119.662 119.600 0.081 0.000 2.106 182 M HA -0.241 4.239 4.480 -0.000 0.000 0.259 182 M C 1.762 178.054 176.300 -0.014 0.000 1.068 182 M CA 1.617 56.950 55.300 0.055 0.000 1.100 182 M CB -0.076 32.596 32.600 0.120 0.000 1.351 182 M HN 0.284 nan 8.290 nan 0.000 0.404 183 I N -0.585 119.931 120.570 -0.090 0.000 2.162 183 I HA -0.245 3.925 4.170 -0.000 0.000 0.238 183 I C 1.839 177.813 176.117 -0.238 0.000 1.076 183 I CA 1.350 62.495 61.300 -0.258 0.000 1.353 183 I CB -0.291 37.418 38.000 -0.485 0.000 1.063 183 I HN 0.200 nan 8.210 nan 0.000 0.408 184 F N 0.707 120.670 119.950 0.021 0.000 2.259 184 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 184 F C 2.277 178.118 175.800 0.067 0.000 1.088 184 F CA 0.965 59.004 58.000 0.064 0.000 1.358 184 F CB -0.555 38.480 39.000 0.058 0.000 1.040 184 F HN 0.116 nan 8.300 nan 0.000 0.505 185 N N 0.041 118.854 118.700 0.188 0.000 2.245 185 N HA 0.030 4.770 4.740 -0.000 0.000 0.185 185 N C 1.877 177.426 175.510 0.066 0.000 1.036 185 N CA 0.922 54.045 53.050 0.121 0.000 0.857 185 N CB -0.362 38.181 38.487 0.094 0.000 1.015 185 N HN 0.182 nan 8.380 nan 0.000 0.436 186 R N 0.788 121.310 120.500 0.037 0.000 2.057 186 R HA 0.150 4.490 4.340 -0.000 0.000 0.224 186 R C 1.846 178.136 176.300 -0.016 0.000 1.136 186 R CA 0.799 56.906 56.100 0.011 0.000 0.968 186 R CB 0.005 30.311 30.300 0.009 0.000 0.863 186 R HN 0.163 nan 8.270 nan 0.000 0.433 187 E N 0.576 120.753 120.200 -0.038 0.000 2.086 187 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 187 E C 1.956 178.490 176.600 -0.109 0.000 0.975 187 E CA 0.717 57.073 56.400 -0.073 0.000 0.813 187 E CB 0.001 29.648 29.700 -0.088 0.000 0.768 187 E HN 0.107 nan 8.360 nan 0.000 0.457 188 L N 0.939 122.092 121.223 -0.117 0.000 2.131 188 L HA 0.014 4.354 4.340 -0.000 0.000 0.206 188 L C -0.982 175.750 176.870 -0.230 0.000 1.087 188 L CA 1.115 55.852 54.840 -0.171 0.000 0.767 188 L CB -1.055 40.919 42.059 -0.142 0.000 0.917 188 L HN 0.018 nan 8.230 nan 0.000 0.441 189 P HA -0.210 nan 4.420 nan 0.000 0.218 189 P C 1.138 178.331 177.300 -0.178 0.000 1.146 189 P CA 1.154 64.145 63.100 -0.181 0.000 0.813 189 P CB -0.090 31.590 31.700 -0.033 0.000 0.778 190 Q N -1.185 118.530 119.800 -0.142 0.000 2.515 190 Q HA -0.048 4.292 4.340 -0.000 0.000 0.215 190 Q C 1.063 176.954 176.000 -0.181 0.000 0.983 190 Q CA 1.056 56.779 55.803 -0.133 0.000 0.905 190 Q CB -0.318 28.358 28.738 -0.104 0.000 0.961 190 Q HN 0.207 nan 8.270 nan 0.000 0.503 191 A N -0.080 122.581 122.820 -0.264 0.000 2.585 191 A HA 0.153 4.473 4.320 -0.000 0.000 0.281 191 A C 1.181 178.502 177.584 -0.439 0.000 0.945 191 A CA -0.069 51.770 52.037 -0.330 0.000 1.031 191 A CB 0.251 19.026 19.000 -0.375 0.000 1.221 191 A HN 0.171 nan 8.150 nan 0.000 0.496 192 S N -0.602 114.828 115.700 -0.449 0.000 2.507 192 S HA 0.022 4.492 4.470 -0.000 0.000 0.235 192 S C 1.686 175.855 174.600 -0.719 0.000 0.988 192 S CA 1.715 59.526 58.200 -0.649 0.000 0.944 192 S CB -0.212 62.678 63.200 -0.516 0.000 0.762 192 S HN 0.688 nan 8.310 nan 0.000 0.526 193 G N 1.576 110.119 108.800 -0.428 0.000 2.408 193 G HA2 0.016 3.976 3.960 -0.000 0.000 0.213 193 G HA3 0.016 3.976 3.960 -0.000 0.000 0.213 193 G C 1.253 175.957 174.900 -0.326 0.000 1.177 193 G CA 0.678 45.647 45.100 -0.218 0.000 0.802 193 G HN 0.471 nan 8.290 nan 0.000 0.533 194 L N 0.852 121.657 121.223 -0.697 0.000 2.013 194 L HA 0.031 4.371 4.340 -0.000 0.000 0.212 194 L C 2.600 179.121 176.870 -0.583 0.000 1.073 194 L CA 1.573 55.711 54.840 -1.171 0.000 0.753 194 L CB -0.745 40.712 42.059 -1.002 0.000 0.890 194 L HN 0.207 nan 8.230 nan 0.000 0.432 195 L N -1.386 119.572 121.223 -0.443 0.000 2.376 195 L HA -0.151 4.189 4.340 -0.000 0.000 0.219 195 L C 2.415 179.324 176.870 0.066 0.000 1.133 195 L CA 0.297 55.013 54.840 -0.207 0.000 0.816 195 L CB -0.734 41.121 42.059 -0.339 0.000 0.933 195 L HN 0.363 nan 8.230 nan 0.000 0.449 196 H N -1.783 117.277 119.070 -0.016 0.000 2.363 196 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 196 H C 2.211 177.549 175.328 0.017 0.000 1.074 196 H CA 1.204 57.286 56.048 0.057 0.000 1.354 196 H CB -0.210 29.581 29.762 0.048 0.000 1.397 196 H HN 0.281 nan 8.280 nan 0.000 0.516 197 H N 0.432 119.542 119.070 0.067 0.000 2.389 197 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 197 H C 2.069 177.417 175.328 0.033 0.000 1.081 197 H CA 1.872 57.943 56.048 0.038 0.000 1.345 197 H CB 0.072 29.847 29.762 0.022 0.000 1.393 197 H HN 0.482 nan 8.280 nan 0.000 0.520 198 C N -1.544 117.876 119.300 0.200 0.000 2.563 198 C HA 0.288 4.748 4.460 -0.000 0.000 0.346 198 C C 1.969 177.201 174.990 0.404 0.000 1.334 198 C CA 0.141 59.311 59.018 0.253 0.000 1.938 198 C CB -0.543 27.317 27.740 0.200 0.000 2.445 198 C HN 0.602 nan 8.230 nan 0.000 0.541 199 C N -1.173 118.403 119.300 0.459 0.000 3.226 199 C HA 0.563 5.023 4.460 -0.000 0.000 0.258 199 C C 0.541 175.990 174.990 0.765 0.000 1.688 199 C CA -0.661 58.779 59.018 0.703 0.000 1.774 199 C CB -2.527 25.509 27.740 0.493 0.000 3.167 199 C HN 0.586 nan 8.230 nan 0.000 0.509 200 F N -1.294 118.771 119.950 0.191 0.000 3.084 200 F HA -0.272 4.255 4.527 -0.000 0.000 0.286 200 F C 1.016 176.903 175.800 0.144 0.000 0.855 200 F CA 0.161 58.222 58.000 0.102 0.000 1.091 200 F CB -2.240 36.750 39.000 -0.017 0.000 1.177 200 F HN 0.505 nan 8.300 nan 0.000 0.542 206 R N 0.385 120.680 120.500 -0.342 0.000 2.237 206 R HA 0.054 4.394 4.340 -0.000 0.000 0.195 206 R C 2.015 178.198 176.300 -0.195 0.000 0.956 206 R CA 1.111 57.043 56.100 -0.280 0.000 1.029 206 R CB 0.148 30.323 30.300 -0.208 0.000 0.972 206 R HN 0.616 nan 8.270 nan 0.000 0.493 207 N N -0.511 118.099 118.700 -0.150 0.000 2.424 207 N HA 0.013 4.753 4.740 -0.000 0.000 0.178 207 N C 0.536 176.073 175.510 0.045 0.000 1.060 207 N CA 0.256 53.263 53.050 -0.070 0.000 0.901 207 N CB 0.263 38.703 38.487 -0.078 0.000 0.979 207 N HN -0.043 nan 8.380 nan 0.000 0.451 208 L N -0.095 121.187 121.223 0.098 0.000 2.335 208 L HA 0.719 5.059 4.340 -0.000 0.000 0.268 208 L C -0.408 176.577 176.870 0.192 0.000 1.016 208 L CA -1.308 53.682 54.840 0.250 0.000 0.805 208 L CB 1.783 44.089 42.059 0.412 0.000 1.311 208 L HN -0.083 nan 8.230 nan 0.000 0.456 209 V N -0.689 119.386 119.914 0.269 0.000 3.167 209 V HA 0.364 4.484 4.120 -0.000 0.000 0.293 209 V C -0.940 175.273 176.094 0.198 0.000 1.379 209 V CA -0.238 62.143 62.300 0.136 0.000 1.019 209 V CB 2.759 34.456 31.823 -0.211 0.000 1.115 209 V HN 0.823 nan 8.190 nan 0.000 0.442 210 T N 5.126 119.782 114.554 0.169 0.000 2.918 210 T HA 0.794 5.143 4.350 -0.000 0.000 0.286 210 T C -0.795 174.046 174.700 0.236 0.000 1.026 210 T CA -0.362 61.926 62.100 0.314 0.000 1.031 210 T CB 1.165 70.242 68.868 0.348 0.000 1.046 210 T HN 0.750 nan 8.240 nan 0.000 0.479 211 M N 2.164 122.004 119.600 0.401 0.000 2.421 211 M HA 0.436 4.916 4.480 -0.000 0.000 0.287 211 M C -0.797 175.526 176.300 0.039 0.000 1.183 211 M CA -0.477 54.953 55.300 0.217 0.000 0.916 211 M CB 2.125 34.825 32.600 0.167 0.000 1.701 211 M HN 0.554 nan 8.290 nan 0.000 0.470 212 T N 2.196 116.682 114.554 -0.114 0.000 2.828 212 T HA 0.561 4.911 4.350 -0.000 0.000 0.290 212 T C 0.339 175.026 174.700 -0.020 0.000 1.019 212 T CA -0.202 61.700 62.100 -0.330 0.000 1.031 212 T CB 1.088 69.972 68.868 0.027 0.000 1.001 212 T HN 0.807 nan 8.240 nan 0.000 0.531 213 T N -1.737 112.790 114.554 -0.044 0.000 2.572 213 T HA 0.814 5.164 4.350 -0.000 0.000 0.244 213 T C 0.893 175.696 174.700 0.172 0.000 0.860 213 T CA -0.224 61.912 62.100 0.060 0.000 1.125 213 T CB 0.819 69.668 68.868 -0.033 0.000 1.491 213 T HN 0.544 nan 8.240 nan 0.000 0.532 214 A N 0.809 123.662 122.820 0.054 0.000 2.579 214 A HA 0.759 5.079 4.320 -0.000 0.000 0.220 214 A C -2.186 175.480 177.584 0.137 0.000 2.352 214 A CA -0.392 51.642 52.037 -0.005 0.000 1.183 214 A CB -1.041 17.814 19.000 -0.241 0.000 1.311 214 A HN 0.664 nan 8.150 nan 0.000 0.534 215 P HA 0.415 nan 4.420 nan 0.000 0.281 215 P C -1.173 176.268 177.300 0.234 0.000 1.249 215 P CA -0.246 62.928 63.100 0.124 0.000 0.810 215 P CB 0.570 32.279 31.700 0.014 0.000 1.008 216 R N 1.920 122.579 120.500 0.265 0.000 2.666 216 R HA 0.664 5.004 4.340 -0.000 0.000 0.275 216 R C 0.438 176.886 176.300 0.246 0.000 1.266 216 R CA -0.430 55.807 56.100 0.229 0.000 1.401 216 R CB 0.185 30.579 30.300 0.157 0.000 1.145 216 R HN 0.823 nan 8.270 nan 0.000 0.581 217 G N 0.603 109.562 108.800 0.265 0.000 2.298 217 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.309 217 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.309 217 G C -0.373 174.580 174.900 0.088 0.000 1.279 217 G CA -0.948 44.220 45.100 0.113 0.000 1.042 217 G HN 0.342 nan 8.290 nan 0.000 0.480 218 L N -0.103 120.896 121.223 -0.374 0.000 3.360 218 L HA 0.537 4.877 4.340 -0.000 0.000 0.303 218 L C 0.231 176.385 176.870 -1.193 0.000 1.218 218 L CA 0.208 54.760 54.840 -0.480 0.000 1.059 218 L CB 1.081 43.006 42.059 -0.223 0.000 1.468 218 L HN 0.703 nan 8.230 nan 0.000 0.614 219 Q N -0.017 118.643 119.800 -1.900 0.000 2.503 219 Q HA 0.219 4.558 4.340 -0.000 0.000 0.268 219 Q C -0.877 174.552 176.000 -0.951 0.000 0.982 219 Q CA -0.226 54.823 55.803 -1.256 0.000 0.907 219 Q CB 2.171 30.554 28.738 -0.592 0.000 1.467 219 Q HN -0.004 nan 8.270 nan 0.000 0.394 220 S N 1.479 116.969 115.700 -0.350 0.000 2.575 220 S HA 0.365 4.835 4.470 -0.000 0.000 0.295 220 S C 1.110 175.628 174.600 -0.137 0.000 1.267 220 S CA 1.998 60.249 58.200 0.085 0.000 1.074 220 S CB -0.244 63.054 63.200 0.164 0.000 0.829 220 S HN 1.265 nan 8.310 nan 0.000 0.497 221 G N 4.143 112.759 108.800 -0.307 0.000 2.213 221 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.236 221 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.236 221 G C -0.172 174.404 174.900 -0.540 0.000 0.991 221 G CA 0.111 44.696 45.100 -0.858 0.000 0.629 221 G HN 0.694 nan 8.290 nan 0.000 0.517 222 D N -0.273 119.949 120.400 -0.296 0.000 2.357 222 D HA 0.543 5.183 4.640 -0.000 0.000 0.242 222 D C 1.114 177.330 176.300 -0.141 0.000 1.153 222 D CA 0.087 53.965 54.000 -0.204 0.000 0.918 222 D CB 0.581 41.258 40.800 -0.206 0.000 1.181 222 D HN 0.311 nan 8.370 nan 0.000 0.435 223 R N 0.235 120.625 120.500 -0.183 0.000 2.583 223 R HA 0.446 4.786 4.340 -0.000 0.000 0.329 223 R C -1.550 174.463 176.300 -0.480 0.000 1.166 223 R CA -0.304 55.631 56.100 -0.275 0.000 1.264 223 R CB 0.267 30.379 30.300 -0.313 0.000 1.324 223 R HN 0.362 nan 8.270 nan 0.000 0.684 224 A N 0.950 123.641 122.820 -0.214 0.000 2.273 224 A HA 0.544 4.864 4.320 -0.000 0.000 0.315 224 A C -0.445 177.149 177.584 0.015 0.000 1.256 224 A CA -0.303 51.646 52.037 -0.146 0.000 0.851 224 A CB 1.277 20.191 19.000 -0.143 0.000 1.172 224 A HN 0.224 nan 8.150 nan 0.000 0.508 225 T N 2.411 117.071 114.554 0.176 0.000 2.794 225 T HA 0.375 4.725 4.350 -0.000 0.000 0.280 225 T C -0.531 174.294 174.700 0.208 0.000 0.987 225 T CA 0.034 62.287 62.100 0.255 0.000 0.993 225 T CB 0.416 69.549 68.868 0.442 0.000 0.939 225 T HN 0.589 nan 8.240 nan 0.000 0.449 226 W N 2.652 124.037 121.300 0.142 0.000 2.266 226 W HA 0.492 5.152 4.660 -0.000 0.000 0.317 226 W C -0.352 176.214 176.519 0.078 0.000 1.310 226 W CA -0.481 56.949 57.345 0.142 0.000 1.207 226 W CB 0.263 29.753 29.460 0.050 0.000 1.199 226 W HN 0.519 nan 8.180 nan 0.000 0.544 227 F N 2.153 122.316 119.950 0.354 0.000 2.493 227 F HA 0.548 5.075 4.527 -0.000 0.000 0.329 227 F C 0.920 176.902 175.800 0.302 0.000 1.126 227 F CA -0.840 57.326 58.000 0.277 0.000 0.937 227 F CB 1.346 40.449 39.000 0.172 0.000 1.146 227 F HN 0.329 nan 8.300 nan 0.000 0.442 228 G N 3.025 112.113 108.800 0.479 0.000 2.504 228 G HA2 0.595 4.554 3.960 -0.000 0.000 0.288 228 G HA3 0.595 4.554 3.960 -0.000 0.000 0.288 228 G C -1.512 173.651 174.900 0.437 0.000 1.182 228 G CA -0.448 44.927 45.100 0.458 0.000 0.894 228 G HN 0.444 nan 8.290 nan 0.000 0.521 229 L N 0.100 121.404 121.223 0.136 0.000 2.346 229 L HA 0.617 4.957 4.340 -0.000 0.000 0.274 229 L C -1.033 175.766 176.870 -0.119 0.000 1.007 229 L CA -0.522 54.382 54.840 0.106 0.000 0.818 229 L CB 1.796 43.872 42.059 0.028 0.000 1.284 229 L HN 0.573 nan 8.230 nan 0.000 0.424 230 Y N 0.967 121.346 120.300 0.131 0.000 2.562 230 Y HA 0.446 4.996 4.550 -0.000 0.000 0.345 230 Y C -0.862 175.126 175.900 0.147 0.000 1.045 230 Y CA -1.112 57.073 58.100 0.142 0.000 1.028 230 Y CB 1.387 40.026 38.460 0.300 0.000 1.297 230 Y HN 0.246 nan 8.280 nan 0.000 0.463 231 Y N 1.296 121.762 120.300 0.275 0.000 2.511 231 Y HA -0.025 4.525 4.550 -0.000 0.000 0.332 231 Y C 0.835 176.784 175.900 0.083 0.000 1.177 231 Y CA -0.663 57.521 58.100 0.140 0.000 1.422 231 Y CB 0.259 38.784 38.460 0.108 0.000 1.271 231 Y HN 0.531 nan 8.280 nan 0.000 0.550 232 N N 3.785 122.587 118.700 0.170 0.000 3.303 232 N HA 0.097 4.837 4.740 -0.000 0.000 0.304 232 N C -0.782 174.737 175.510 0.014 0.000 1.302 232 N CA -0.098 52.965 53.050 0.022 0.000 1.213 232 N CB -0.558 37.904 38.487 -0.040 0.000 1.481 232 N HN 0.335 nan 8.380 nan 0.000 0.546 233 I N 0.587 121.187 120.570 0.050 0.000 2.752 233 I HA -0.087 4.083 4.170 -0.000 0.000 0.289 233 I C 0.813 176.939 176.117 0.014 0.000 1.197 233 I CA 0.347 61.657 61.300 0.016 0.000 1.432 233 I CB -0.007 37.972 38.000 -0.034 0.000 1.359 233 I HN 0.236 nan 8.210 nan 0.000 0.571 234 S N 4.303 120.008 115.700 0.008 0.000 2.465 234 S HA 0.446 4.916 4.470 -0.000 0.000 0.279 234 S C 0.954 175.568 174.600 0.022 0.000 1.201 234 S CA 0.338 58.539 58.200 0.001 0.000 1.053 234 S CB 0.810 64.001 63.200 -0.015 0.000 0.953 234 S HN 1.043 nan 8.310 nan 0.000 0.488 235 G N 2.525 111.335 108.800 0.017 0.000 2.143 235 G HA2 0.024 3.984 3.960 -0.000 0.000 0.248 235 G HA3 0.024 3.984 3.960 -0.000 0.000 0.248 235 G C 0.059 175.005 174.900 0.076 0.000 0.991 235 G CA 0.158 45.277 45.100 0.031 0.000 0.689 235 G HN 1.296 nan 8.290 nan 0.000 0.522 236 A N -1.729 121.135 122.820 0.073 0.000 2.540 236 A HA 0.902 5.222 4.320 -0.000 0.000 0.291 236 A C 0.414 177.954 177.584 -0.073 0.000 1.083 236 A CA 0.369 52.464 52.037 0.097 0.000 0.650 236 A CB 0.078 19.177 19.000 0.166 0.000 1.292 236 A HN 1.925 nan 8.150 nan 0.000 0.435 237 G N 0.133 108.700 108.800 -0.388 0.000 2.298 237 G HA2 0.396 4.356 3.960 -0.000 0.000 0.263 237 G HA3 0.396 4.356 3.960 -0.000 0.000 0.263 237 G C 0.493 175.105 174.900 -0.480 0.000 1.229 237 G CA 0.500 45.081 45.100 -0.865 0.000 0.976 237 G HN 1.488 nan 8.290 nan 0.000 0.459 238 F N 1.639 121.282 119.950 -0.511 0.000 2.604 238 F HA 0.153 4.680 4.527 -0.000 0.000 0.298 238 F C 1.426 177.077 175.800 -0.250 0.000 1.131 238 F CA -0.304 57.489 58.000 -0.345 0.000 1.457 238 F CB -0.509 38.240 39.000 -0.418 0.000 1.095 238 F HN 0.354 nan 8.300 nan 0.000 0.574 239 F N 0.802 120.320 119.950 -0.720 0.000 2.502 239 F HA 0.043 4.570 4.527 -0.000 0.000 0.298 239 F C 1.863 177.657 175.800 -0.009 0.000 1.111 239 F CA 0.643 58.329 58.000 -0.523 0.000 1.445 239 F CB -0.603 38.023 39.000 -0.624 0.000 1.081 239 F HN 0.060 nan 8.300 nan 0.000 0.558 240 L N -0.844 120.454 121.223 0.126 0.000 2.446 240 L HA -0.000 4.340 4.340 -0.000 0.000 0.219 240 L C 0.594 177.330 176.870 -0.224 0.000 1.116 240 L CA 0.564 55.356 54.840 -0.080 0.000 0.844 240 L CB -0.325 41.553 42.059 -0.301 0.000 0.970 240 L HN 0.238 nan 8.230 nan 0.000 0.457 241 H N -1.187 117.982 119.070 0.165 0.000 2.412 241 H HA 0.182 4.738 4.556 -0.000 0.000 0.239 241 H C -0.557 174.855 175.328 0.140 0.000 1.388 241 H CA -0.509 55.603 56.048 0.107 0.000 1.148 241 H CB 0.060 29.864 29.762 0.071 0.000 1.637 241 H HN 0.106 nan 8.280 nan 0.000 0.542 242 H N 1.630 120.741 119.070 0.068 0.000 2.848 242 H HA 0.009 4.565 4.556 -0.000 0.000 0.341 242 H C 1.233 176.450 175.328 -0.185 0.000 1.060 242 H CA -0.122 55.760 56.048 -0.277 0.000 1.444 242 H CB 1.045 30.687 29.762 -0.200 0.000 1.446 242 H HN 0.265 nan 8.280 nan 0.000 0.583 243 V N 1.747 121.223 119.914 -0.729 0.000 3.647 243 V HA 0.342 4.462 4.120 -0.000 0.000 0.279 243 V C 1.418 177.027 176.094 -0.808 0.000 1.314 243 V CA 0.832 62.763 62.300 -0.615 0.000 1.125 243 V CB -0.162 31.379 31.823 -0.471 0.000 0.907 243 V HN 1.045 nan 8.190 nan 0.000 0.434 244 G N 0.258 108.371 108.800 -1.145 0.000 2.195 244 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.224 244 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.224 244 G C -0.347 174.246 174.900 -0.512 0.000 0.990 244 G CA 0.116 44.598 45.100 -1.030 0.000 0.639 244 G HN 0.660 nan 8.290 nan 0.000 0.514 245 L N 1.474 122.492 121.223 -0.343 0.000 2.307 245 L HA 0.851 5.191 4.340 -0.000 0.000 0.282 245 L C -0.234 176.702 176.870 0.109 0.000 1.051 245 L CA -0.678 54.172 54.840 0.017 0.000 0.804 245 L CB 1.270 43.333 42.059 0.006 0.000 1.197 245 L HN 0.237 nan 8.230 nan 0.000 0.431 246 E N 5.345 125.712 120.200 0.278 0.000 2.290 246 E HA 0.489 4.839 4.350 -0.000 0.000 0.274 246 E C -1.615 175.295 176.600 0.516 0.000 0.889 246 E CA -0.538 56.109 56.400 0.412 0.000 0.760 246 E CB 2.062 31.987 29.700 0.374 0.000 1.206 246 E HN 0.495 nan 8.360 nan 0.000 0.419 247 L N 3.376 124.853 121.223 0.423 0.000 2.349 247 L HA 0.401 4.741 4.340 -0.000 0.000 0.278 247 L C -0.760 176.097 176.870 -0.022 0.000 0.996 247 L CA -1.131 53.813 54.840 0.174 0.000 0.825 247 L CB 1.137 43.233 42.059 0.063 0.000 1.243 247 L HN 0.323 nan 8.230 nan 0.000 0.412 248 L N 5.358 126.226 121.223 -0.592 0.000 2.342 248 L HA 0.342 4.682 4.340 -0.000 0.000 0.285 248 L C -0.379 176.283 176.870 -0.347 0.000 1.095 248 L CA 0.192 54.496 54.840 -0.894 0.000 0.843 248 L CB 0.957 42.107 42.059 -1.516 0.000 1.201 248 L HN 0.289 nan 8.230 nan 0.000 0.445 249 V N 5.414 125.254 119.914 -0.124 0.000 2.439 249 V HA 0.338 4.458 4.120 -0.000 0.000 0.282 249 V C 0.118 176.192 176.094 -0.033 0.000 1.039 249 V CA -0.620 61.646 62.300 -0.057 0.000 0.913 249 V CB 1.486 33.278 31.823 -0.051 0.000 0.983 249 V HN 0.867 nan 8.190 nan 0.000 0.460 250 N N 3.426 122.082 118.700 -0.074 0.000 2.457 250 N HA 0.287 5.027 4.740 -0.000 0.000 0.250 250 N C 0.152 175.525 175.510 -0.227 0.000 0.982 250 N CA -0.493 52.478 53.050 -0.131 0.000 0.941 250 N CB 0.483 38.917 38.487 -0.089 0.000 1.120 250 N HN 0.801 nan 8.380 nan 0.000 0.505 251 H N 2.144 120.907 119.070 -0.511 0.000 2.549 251 H HA 0.216 4.772 4.556 -0.000 0.000 0.253 251 H C 0.724 175.790 175.328 -0.437 0.000 1.170 251 H CA -0.370 54.956 56.048 -1.203 0.000 0.943 251 H CB 0.102 28.707 29.762 -1.929 0.000 1.849 251 H HN 0.525 nan 8.280 nan 0.000 0.603 252 K N 1.659 121.892 120.400 -0.278 0.000 2.147 252 K HA 0.031 4.351 4.320 -0.000 0.000 0.205 252 K C 0.921 177.632 176.600 0.184 0.000 1.049 252 K CA 0.889 57.137 56.287 -0.065 0.000 0.936 252 K CB 0.010 32.465 32.500 -0.074 0.000 0.722 252 K HN 0.315 nan 8.250 nan 0.000 0.446 253 A N 0.462 123.487 122.820 0.341 0.000 2.466 253 A HA 0.202 4.522 4.320 -0.000 0.000 0.238 253 A C 0.593 178.408 177.584 0.385 0.000 1.074 253 A CA -0.199 52.038 52.037 0.333 0.000 0.774 253 A CB 0.120 19.309 19.000 0.315 0.000 1.015 253 A HN 0.371 nan 8.150 nan 0.000 0.498 254 L N 0.228 121.578 121.223 0.212 0.000 2.558 254 L HA 0.163 4.503 4.340 -0.000 0.000 0.225 254 L C 0.407 177.304 176.870 0.046 0.000 1.128 254 L CA 0.458 55.405 54.840 0.179 0.000 0.868 254 L CB -0.343 41.789 42.059 0.122 0.000 1.006 254 L HN 0.610 nan 8.230 nan 0.000 0.454 255 D N 0.172 120.547 120.400 -0.041 0.000 2.427 255 D HA 0.233 4.873 4.640 -0.000 0.000 0.226 255 D C -1.801 174.199 176.300 -0.500 0.000 1.076 255 D CA -2.336 51.551 54.000 -0.188 0.000 0.849 255 D CB 1.859 42.590 40.800 -0.115 0.000 1.052 255 D HN -0.197 nan 8.370 nan 0.000 0.515 256 P HA -0.124 nan 4.420 nan 0.000 0.218 256 P C 1.020 177.834 177.300 -0.809 0.000 1.146 256 P CA 1.056 63.181 63.100 -1.625 0.000 0.813 256 P CB 0.266 31.219 31.700 -1.244 0.000 0.778 257 A N -0.097 122.473 122.820 -0.417 0.000 1.908 257 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 257 A C 2.298 179.806 177.584 -0.126 0.000 1.181 257 A CA 1.460 53.375 52.037 -0.203 0.000 0.627 257 A CB -1.132 17.787 19.000 -0.135 0.000 0.818 257 A HN 0.065 nan 8.150 nan 0.000 0.445 258 R N -1.673 118.747 120.500 -0.134 0.000 2.339 258 R HA -0.063 4.277 4.340 -0.000 0.000 0.199 258 R C -0.490 175.895 176.300 0.143 0.000 1.018 258 R CA -0.283 55.816 56.100 -0.002 0.000 1.036 258 R CB -0.018 30.289 30.300 0.011 0.000 0.899 258 R HN 0.588 nan 8.270 nan 0.000 0.473 259 W N 1.163 122.473 121.300 0.017 0.000 2.216 259 W HA 0.078 4.738 4.660 -0.000 0.000 0.326 259 W C 0.922 177.442 176.519 0.001 0.000 1.319 259 W CA -0.626 56.733 57.345 0.023 0.000 1.213 259 W CB 0.386 29.871 29.460 0.041 0.000 1.171 259 W HN -0.035 nan 8.180 nan 0.000 0.557 260 T N 0.298 114.976 114.554 0.206 0.000 2.870 260 T HA 0.763 5.113 4.350 -0.000 0.000 0.277 260 T C -0.511 174.210 174.700 0.036 0.000 1.000 260 T CA -0.811 61.341 62.100 0.088 0.000 0.982 260 T CB 1.564 70.463 68.868 0.050 0.000 1.249 260 T HN 0.241 nan 8.240 nan 0.000 0.589 261 I N 2.111 122.679 120.570 -0.004 0.000 2.537 261 I HA 0.198 4.368 4.170 -0.000 0.000 0.276 261 I C 1.357 177.440 176.117 -0.058 0.000 1.063 261 I CA -0.535 60.737 61.300 -0.047 0.000 1.144 261 I CB 1.463 39.433 38.000 -0.051 0.000 1.252 261 I HN 0.818 nan 8.210 nan 0.000 0.480 262 Q N 3.127 122.873 119.800 -0.090 0.000 2.112 262 Q HA -0.076 4.264 4.340 -0.000 0.000 0.206 262 Q C 0.334 176.298 176.000 -0.059 0.000 0.987 262 Q CA 1.472 57.226 55.803 -0.081 0.000 0.858 262 Q CB 0.357 29.026 28.738 -0.115 0.000 0.905 262 Q HN 0.448 nan 8.270 nan 0.000 0.420 263 K N -1.058 119.276 120.400 -0.109 0.000 2.548 263 K HA 0.535 4.855 4.320 -0.000 0.000 0.282 263 K C -1.538 175.106 176.600 0.074 0.000 1.006 263 K CA -0.573 55.737 56.287 0.038 0.000 0.892 263 K CB 2.561 35.174 32.500 0.188 0.000 1.499 263 K HN -0.203 nan 8.250 nan 0.000 0.433 264 V N 1.144 121.232 119.914 0.291 0.000 3.007 264 V HA 0.586 4.706 4.120 -0.000 0.000 0.311 264 V C -1.506 174.880 176.094 0.487 0.000 1.120 264 V CA -0.916 61.571 62.300 0.311 0.000 0.980 264 V CB 2.235 34.135 31.823 0.128 0.000 1.033 264 V HN 0.748 nan 8.190 nan 0.000 0.429 265 F N 3.844 123.929 119.950 0.226 0.000 2.607 265 F HA 0.695 5.222 4.527 -0.000 0.000 0.322 265 F C -1.909 173.909 175.800 0.030 0.000 1.176 265 F CA -0.497 57.525 58.000 0.036 0.000 0.977 265 F CB 1.532 40.452 39.000 -0.134 0.000 1.242 265 F HN 0.510 nan 8.300 nan 0.000 0.465 266 Y N 5.643 125.614 120.300 -0.549 0.000 2.373 266 Y HA 0.304 4.854 4.550 -0.000 0.000 0.336 266 Y C -0.043 175.378 175.900 -0.798 0.000 0.979 266 Y CA -0.910 56.868 58.100 -0.536 0.000 1.080 266 Y CB 1.575 39.760 38.460 -0.458 0.000 1.190 266 Y HN 0.739 nan 8.280 nan 0.000 0.446 267 Q N 4.347 123.486 119.800 -1.101 0.000 2.372 267 Q HA -0.284 4.056 4.340 -0.000 0.000 0.333 267 Q C 1.017 176.133 176.000 -1.473 0.000 1.285 267 Q CA 1.337 56.412 55.803 -1.214 0.000 0.983 267 Q CB -1.517 26.486 28.738 -1.226 0.000 1.229 267 Q HN 1.251 nan 8.270 nan 0.000 0.442 268 G N -0.841 107.176 108.800 -1.306 0.000 2.253 268 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.209 268 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.209 268 G C 0.012 174.586 174.900 -0.543 0.000 0.997 268 G CA -0.117 44.570 45.100 -0.688 0.000 0.640 268 G HN 0.234 nan 8.290 nan 0.000 0.496 269 R N -0.183 119.811 120.500 -0.843 0.000 2.637 269 R HA 0.597 4.937 4.340 -0.000 0.000 0.291 269 R C -1.035 174.941 176.300 -0.540 0.000 0.963 269 R CA -0.660 55.149 56.100 -0.486 0.000 0.901 269 R CB 1.303 31.393 30.300 -0.350 0.000 1.160 269 R HN 0.217 nan 8.270 nan 0.000 0.457 270 Y N 1.534 121.760 120.300 -0.124 0.000 2.334 270 Y HA 0.352 4.902 4.550 -0.000 0.000 0.328 270 Y C -0.079 175.773 175.900 -0.081 0.000 1.130 270 Y CA -0.241 57.922 58.100 0.105 0.000 1.163 270 Y CB 1.037 39.612 38.460 0.192 0.000 1.207 270 Y HN 0.430 nan 8.280 nan 0.000 0.471 271 Y N -0.247 120.164 120.300 0.186 0.000 2.634 271 Y HA 0.257 4.807 4.550 -0.000 0.000 0.340 271 Y C 0.359 176.327 175.900 0.112 0.000 1.058 271 Y CA -1.067 57.095 58.100 0.103 0.000 1.081 271 Y CB 1.512 39.990 38.460 0.031 0.000 1.295 271 Y HN 0.513 nan 8.280 nan 0.000 0.487 272 D N -0.080 120.459 120.400 0.232 0.000 2.327 272 D HA 0.058 4.698 4.640 -0.000 0.000 0.205 272 D C -0.021 176.339 176.300 0.099 0.000 0.989 272 D CA 0.838 54.922 54.000 0.140 0.000 0.873 272 D CB 0.548 41.403 40.800 0.090 0.000 0.955 272 D HN 0.428 nan 8.370 nan 0.000 0.515 273 S N -1.458 114.298 115.700 0.094 0.000 2.615 273 S HA 0.316 4.786 4.470 -0.000 0.000 0.269 273 S C 0.447 175.027 174.600 -0.033 0.000 1.161 273 S CA -0.733 57.481 58.200 0.022 0.000 0.817 273 S CB 0.770 63.976 63.200 0.009 0.000 1.131 273 S HN -0.069 nan 8.310 nan 0.000 0.467 274 L N 0.972 122.141 121.223 -0.090 0.000 2.291 274 L HA 0.094 4.434 4.340 -0.000 0.000 0.214 274 L C 2.845 179.622 176.870 -0.156 0.000 1.120 274 L CA 1.296 56.032 54.840 -0.173 0.000 0.799 274 L CB -0.871 41.076 42.059 -0.187 0.000 0.925 274 L HN 0.927 nan 8.230 nan 0.000 0.446 275 A N -0.297 122.469 122.820 -0.088 0.000 1.858 275 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 275 A C 2.268 179.828 177.584 -0.039 0.000 1.190 275 A CA 1.569 53.568 52.037 -0.063 0.000 0.617 275 A CB -0.529 18.450 19.000 -0.035 0.000 0.827 275 A HN 0.421 nan 8.150 nan 0.000 0.443 276 Q N -0.750 119.050 119.800 0.000 0.000 2.364 276 Q HA -0.110 4.230 4.340 -0.000 0.000 0.207 276 Q C 1.847 177.914 176.000 0.112 0.000 0.970 276 Q CA 1.326 57.167 55.803 0.064 0.000 0.888 276 Q CB -0.115 28.683 28.738 0.100 0.000 0.951 276 Q HN 0.580 nan 8.270 nan 0.000 0.469 277 L N 0.443 121.647 121.223 -0.031 0.000 2.095 277 L HA -0.027 4.313 4.340 -0.000 0.000 0.204 277 L C 1.965 178.742 176.870 -0.155 0.000 1.080 277 L CA 1.770 56.444 54.840 -0.278 0.000 0.759 277 L CB -0.297 41.303 42.059 -0.766 0.000 0.914 277 L HN 0.093 nan 8.230 nan 0.000 0.439 278 E N -0.496 119.624 120.200 -0.132 0.000 2.285 278 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 278 E C 2.043 178.665 176.600 0.037 0.000 0.997 278 E CA 0.707 57.080 56.400 -0.045 0.000 0.845 278 E CB 0.076 29.724 29.700 -0.088 0.000 0.782 278 E HN 0.651 nan 8.360 nan 0.000 0.491 279 A N 1.316 124.147 122.820 0.019 0.000 1.851 279 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 279 A C 2.051 179.658 177.584 0.038 0.000 1.195 279 A CA 1.287 53.339 52.037 0.024 0.000 0.622 279 A CB -0.487 18.529 19.000 0.027 0.000 0.831 279 A HN 0.204 nan 8.150 nan 0.000 0.444 280 Q N -1.871 117.980 119.800 0.086 0.000 2.291 280 Q HA -0.144 4.196 4.340 -0.000 0.000 0.206 280 Q C 1.850 177.916 176.000 0.111 0.000 0.976 280 Q CA 1.319 57.186 55.803 0.107 0.000 0.875 280 Q CB -0.265 28.590 28.738 0.195 0.000 0.927 280 Q HN 0.776 nan 8.270 nan 0.000 0.450 281 F N 1.786 121.709 119.950 -0.045 0.000 2.098 281 F HA -0.099 4.428 4.527 -0.000 0.000 0.294 281 F C 2.048 177.801 175.800 -0.078 0.000 1.107 281 F CA 1.486 59.434 58.000 -0.087 0.000 1.234 281 F CB -0.179 38.726 39.000 -0.158 0.000 1.002 281 F HN -0.065 nan 8.300 nan 0.000 0.472 282 E N 0.019 120.040 120.200 -0.300 0.000 2.204 282 E HA -0.037 4.313 4.350 -0.000 0.000 0.194 282 E C 1.873 178.315 176.600 -0.264 0.000 0.989 282 E CA 0.717 56.870 56.400 -0.412 0.000 0.824 282 E CB -0.276 29.327 29.700 -0.161 0.000 0.756 282 E HN 0.439 nan 8.360 nan 0.000 0.477 283 A N -0.067 122.661 122.820 -0.153 0.000 2.255 283 A HA 0.162 4.481 4.320 -0.000 0.000 0.206 283 A C 1.661 179.177 177.584 -0.112 0.000 1.193 283 A CA 0.809 52.785 52.037 -0.100 0.000 0.794 283 A CB -0.859 18.114 19.000 -0.045 0.000 0.794 283 A HN 0.364 nan 8.150 nan 0.000 0.481 284 G N -1.504 107.181 108.800 -0.190 0.000 2.187 284 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.261 284 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.261 284 G C 0.526 175.387 174.900 -0.064 0.000 1.000 284 G CA 0.706 45.712 45.100 -0.156 0.000 0.718 284 G HN 0.567 nan 8.290 nan 0.000 0.519 285 L N -0.153 121.053 121.223 -0.028 0.000 2.653 285 L HA 0.398 4.738 4.340 -0.000 0.000 0.231 285 L C 0.369 177.279 176.870 0.067 0.000 1.153 285 L CA 0.071 54.923 54.840 0.020 0.000 0.933 285 L CB 0.910 42.982 42.059 0.022 0.000 1.175 285 L HN 0.110 nan 8.230 nan 0.000 0.473 286 V N -0.322 119.651 119.914 0.098 0.000 2.443 286 V HA 0.149 4.269 4.120 -0.000 0.000 0.293 286 V C -0.160 176.019 176.094 0.143 0.000 1.021 286 V CA -0.813 61.579 62.300 0.154 0.000 0.848 286 V CB 1.654 33.620 31.823 0.238 0.000 0.998 286 V HN 0.186 nan 8.190 nan 0.000 0.424 287 N N 3.870 122.644 118.700 0.122 0.000 2.400 287 N HA 0.287 5.027 4.740 -0.000 0.000 0.267 287 N C -0.668 174.922 175.510 0.133 0.000 1.208 287 N CA -0.252 52.872 53.050 0.123 0.000 0.951 287 N CB 0.695 39.257 38.487 0.126 0.000 1.227 287 N HN 0.468 nan 8.380 nan 0.000 0.488 288 V N 3.928 123.926 119.914 0.139 0.000 2.472 288 V HA 0.261 4.381 4.120 -0.000 0.000 0.290 288 V C 0.137 176.339 176.094 0.181 0.000 1.037 288 V CA -0.756 61.629 62.300 0.142 0.000 0.908 288 V CB 1.721 33.608 31.823 0.107 0.000 0.985 288 V HN 0.282 nan 8.190 nan 0.000 0.454 289 V N 6.107 126.112 119.914 0.153 0.000 2.350 289 V HA 0.341 4.461 4.120 -0.000 0.000 0.276 289 V C 0.117 176.317 176.094 0.177 0.000 1.028 289 V CA -0.546 61.873 62.300 0.197 0.000 0.860 289 V CB 1.383 33.357 31.823 0.253 0.000 0.990 289 V HN 0.610 nan 8.190 nan 0.000 0.453 290 L N 6.590 127.937 121.223 0.207 0.000 2.456 290 L HA 0.363 4.703 4.340 -0.000 0.000 0.277 290 L C -0.256 176.710 176.870 0.160 0.000 1.124 290 L CA 0.215 55.185 54.840 0.216 0.000 0.880 290 L CB 0.022 42.204 42.059 0.205 0.000 1.192 290 L HN 0.511 nan 8.230 nan 0.000 0.463 291 I N 5.460 126.124 120.570 0.158 0.000 2.312 291 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 291 I C -1.899 174.416 176.117 0.330 0.000 1.008 291 I CA -2.022 59.306 61.300 0.047 0.000 1.226 291 I CB 1.015 38.998 38.000 -0.028 0.000 1.371 291 I HN 0.336 nan 8.210 nan 0.000 0.468 292 P HA -0.054 nan 4.420 nan 0.000 0.270 292 P C -0.166 177.320 177.300 0.310 0.000 1.221 292 P CA 0.347 63.598 63.100 0.252 0.000 0.788 292 P CB 0.917 32.760 31.700 0.239 0.000 0.904 293 D N -0.977 119.315 120.400 -0.179 0.000 2.526 293 D HA 0.037 4.677 4.640 -0.000 0.000 0.293 293 D C 0.169 176.194 176.300 -0.458 0.000 1.081 293 D CA 0.494 54.139 54.000 -0.592 0.000 0.924 293 D CB 0.125 40.054 40.800 -1.452 0.000 1.498 293 D HN 0.112 nan 8.370 nan 0.000 0.497 294 N N -0.775 117.549 118.700 -0.626 0.000 2.525 294 N HA 0.747 5.487 4.740 -0.000 0.000 0.288 294 N C -0.124 174.457 175.510 -1.548 0.000 1.242 294 N CA 0.178 52.704 53.050 -0.873 0.000 0.905 294 N CB 1.848 40.052 38.487 -0.472 0.000 1.258 294 N HN 0.280 nan 8.380 nan 0.000 0.551 295 G N -1.681 106.143 108.800 -1.625 0.000 2.340 295 G HA2 0.412 4.372 3.960 -0.000 0.000 0.299 295 G HA3 0.412 4.372 3.960 -0.000 0.000 0.299 295 G C -1.662 172.807 174.900 -0.719 0.000 1.291 295 G CA -0.313 43.887 45.100 -1.500 0.000 0.841 295 G HN 0.667 nan 8.290 nan 0.000 0.500 296 T N -3.193 111.244 114.554 -0.196 0.000 2.909 296 T HA 0.722 5.072 4.350 -0.000 0.000 0.299 296 T C 0.334 175.206 174.700 0.287 0.000 1.073 296 T CA 0.608 62.768 62.100 0.101 0.000 0.999 296 T CB 1.471 70.355 68.868 0.026 0.000 1.098 296 T HN 2.701 nan 8.240 nan 0.000 0.477 297 G N 0.480 109.435 108.800 0.259 0.000 3.414 297 G HA2 0.339 4.299 3.960 -0.000 0.000 0.504 297 G HA3 0.339 4.299 3.960 -0.000 0.000 0.504 297 G C 1.019 176.055 174.900 0.226 0.000 0.936 297 G CA 0.546 45.770 45.100 0.206 0.000 0.748 297 G HN 2.550 nan 8.290 nan 0.000 0.408 298 G N 1.790 110.703 108.800 0.187 0.000 5.045 298 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.229 298 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.229 298 G C 1.935 176.919 174.900 0.141 0.000 1.440 298 G CA 1.216 46.397 45.100 0.136 0.000 0.936 298 G HN 2.030 nan 8.290 nan 0.000 0.690 299 S N 0.193 115.954 115.700 0.102 0.000 2.442 299 S HA -0.043 4.427 4.470 -0.000 0.000 0.236 299 S C 1.586 176.051 174.600 -0.225 0.000 1.007 299 S CA 2.137 60.269 58.200 -0.113 0.000 0.965 299 S CB -0.295 62.767 63.200 -0.230 0.000 0.773 299 S HN 0.663 nan 8.310 nan 0.000 0.504 300 W N 0.105 121.560 121.300 0.257 0.000 2.873 300 W HA 0.494 5.154 4.660 -0.000 0.000 0.282 300 W C 1.051 177.662 176.519 0.154 0.000 1.118 300 W CA -0.362 57.112 57.345 0.215 0.000 1.480 300 W CB -0.029 29.516 29.460 0.142 0.000 0.954 300 W HN -0.019 nan 8.180 nan 0.000 0.591 301 S N -0.150 115.739 115.700 0.315 0.000 2.715 301 S HA 0.609 5.079 4.470 -0.000 0.000 0.307 301 S C 0.147 174.869 174.600 0.202 0.000 1.119 301 S CA -0.481 57.854 58.200 0.226 0.000 0.937 301 S CB 1.175 64.482 63.200 0.178 0.000 1.150 301 S HN 0.016 nan 8.310 nan 0.000 0.521 302 L N 0.626 121.944 121.223 0.159 0.000 2.766 302 L HA 0.426 4.766 4.340 -0.000 0.000 0.241 302 L C 0.602 177.516 176.870 0.074 0.000 1.080 302 L CA 0.061 54.970 54.840 0.115 0.000 0.909 302 L CB 0.150 42.286 42.059 0.129 0.000 1.277 302 L HN 0.489 nan 8.230 nan 0.000 0.510 303 K N 1.577 122.021 120.400 0.073 0.000 2.412 303 K HA 0.070 4.390 4.320 -0.000 0.000 0.284 303 K C 0.265 176.889 176.600 0.040 0.000 1.046 303 K CA 0.029 56.344 56.287 0.047 0.000 0.999 303 K CB 0.826 33.352 32.500 0.042 0.000 0.941 303 K HN -0.076 nan 8.250 nan 0.000 0.474 304 S N 4.720 120.434 115.700 0.024 0.000 2.549 304 S HA 0.159 4.629 4.470 -0.000 0.000 0.283 304 S C -1.373 173.236 174.600 0.016 0.000 1.320 304 S CA -1.371 56.840 58.200 0.018 0.000 1.058 304 S CB 0.708 63.911 63.200 0.004 0.000 0.882 304 S HN 0.609 nan 8.310 nan 0.000 0.498 305 P HA 0.099 nan 4.420 nan 0.000 0.231 305 P C -0.108 177.195 177.300 0.005 0.000 1.168 305 P CA 0.171 63.280 63.100 0.014 0.000 0.779 305 P CB -0.116 31.596 31.700 0.019 0.000 0.844 306 V N 3.085 123.000 119.914 0.002 0.000 2.686 306 V HA 0.200 4.320 4.120 -0.000 0.000 0.295 306 V C -1.962 174.127 176.094 -0.009 0.000 1.055 306 V CA -1.360 60.938 62.300 -0.004 0.000 1.050 306 V CB 0.183 32.003 31.823 -0.006 0.000 0.984 306 V HN 0.077 nan 8.190 nan 0.000 0.482 307 P HA 0.397 nan 4.420 nan 0.000 0.284 307 P C -2.599 174.689 177.300 -0.021 0.000 1.253 307 P CA -1.777 61.314 63.100 -0.016 0.000 0.800 307 P CB -0.271 31.420 31.700 -0.015 0.000 0.961 308 P HA 0.125 nan 4.420 nan 0.000 0.261 308 P C 0.496 177.778 177.300 -0.030 0.000 1.165 308 P CA 0.573 63.654 63.100 -0.033 0.000 0.759 308 P CB 0.161 31.837 31.700 -0.041 0.000 0.772 309 G N 2.828 111.610 108.800 -0.030 0.000 2.938 309 G HA2 0.612 4.572 3.960 -0.000 0.000 0.258 309 G HA3 0.612 4.572 3.960 -0.000 0.000 0.258 309 G C -2.422 172.459 174.900 -0.030 0.000 1.356 309 G CA -1.045 44.039 45.100 -0.027 0.000 1.052 309 G HN 0.370 nan 8.290 nan 0.000 0.550 310 P HA 0.341 nan 4.420 nan 0.000 0.267 310 P C -0.044 177.236 177.300 -0.033 0.000 1.195 310 P CA -0.086 62.997 63.100 -0.029 0.000 0.773 310 P CB 0.325 32.011 31.700 -0.023 0.000 0.837 311 A N 3.284 126.081 122.820 -0.038 0.000 2.371 311 A HA 0.510 4.830 4.320 -0.000 0.000 0.257 311 A C -1.744 175.819 177.584 -0.036 0.000 1.089 311 A CA -0.874 51.136 52.037 -0.046 0.000 0.794 311 A CB -1.248 17.718 19.000 -0.057 0.000 1.029 311 A HN 0.463 nan 8.150 nan 0.000 0.488 312 P HA 0.441 nan 4.420 nan 0.000 0.274 312 P C -2.490 174.799 177.300 -0.018 0.000 1.256 312 P CA -0.981 62.104 63.100 -0.025 0.000 0.795 312 P CB -0.616 31.069 31.700 -0.026 0.000 1.038 313 P HA 0.237 nan 4.420 nan 0.000 0.269 313 P C -1.074 176.235 177.300 0.015 0.000 1.209 313 P CA -0.115 62.991 63.100 0.011 0.000 0.776 313 P CB 0.252 31.963 31.700 0.019 0.000 0.876 314 L N 1.453 122.697 121.223 0.035 0.000 2.386 314 L HA 0.472 4.812 4.340 -0.000 0.000 0.271 314 L C -0.724 176.213 176.870 0.111 0.000 0.993 314 L CA -0.497 54.374 54.840 0.052 0.000 0.819 314 L CB 2.090 44.165 42.059 0.026 0.000 1.294 314 L HN 0.288 nan 8.230 nan 0.000 0.414 315 Q N 3.756 123.608 119.800 0.087 0.000 2.282 315 Q HA 0.628 4.968 4.340 -0.000 0.000 0.260 315 Q C -1.664 174.361 176.000 0.042 0.000 0.964 315 Q CA -0.695 55.142 55.803 0.056 0.000 0.880 315 Q CB 1.518 30.254 28.738 -0.004 0.000 1.286 315 Q HN 0.653 nan 8.270 nan 0.000 0.445 316 F N 0.573 120.412 119.950 -0.185 0.000 2.626 316 F HA 0.540 5.066 4.527 -0.000 0.000 0.311 316 F C -1.980 173.674 175.800 -0.243 0.000 1.088 316 F CA -1.257 56.580 58.000 -0.272 0.000 0.949 316 F CB 1.001 39.949 39.000 -0.087 0.000 1.322 316 F HN 0.325 nan 8.300 nan 0.000 0.461 317 Y N 2.020 122.361 120.300 0.068 0.000 2.518 317 Y HA 0.423 4.973 4.550 -0.000 0.000 0.344 317 Y C -1.989 173.907 175.900 -0.007 0.000 0.982 317 Y CA -2.589 55.491 58.100 -0.033 0.000 1.234 317 Y CB 0.552 39.063 38.460 0.085 0.000 1.114 317 Y HN 0.432 nan 8.280 nan 0.000 0.515 318 P HA -0.179 nan 4.420 nan 0.000 0.218 318 P C -0.227 177.179 177.300 0.177 0.000 1.146 318 P CA 1.551 64.715 63.100 0.108 0.000 0.813 318 P CB 0.252 31.952 31.700 -0.000 0.000 0.778 319 Q N -1.227 118.661 119.800 0.146 0.000 3.394 319 Q HA 0.508 4.848 4.340 -0.000 0.000 0.285 319 Q C 0.079 176.143 176.000 0.106 0.000 0.866 319 Q CA -0.420 55.455 55.803 0.119 0.000 0.844 319 Q CB 0.508 29.295 28.738 0.082 0.000 1.472 319 Q HN 0.072 nan 8.270 nan 0.000 0.401 320 G N 2.008 110.894 108.800 0.143 0.000 2.781 320 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.683 320 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.683 320 G C -3.005 171.909 174.900 0.024 0.000 1.390 320 G CA -0.810 44.343 45.100 0.089 0.000 0.850 320 G HN 0.373 nan 8.290 nan 0.000 0.557 321 P HA 0.550 nan 4.420 nan 0.000 0.279 321 P C 0.186 177.313 177.300 -0.289 0.000 1.276 321 P CA -0.506 62.306 63.100 -0.481 0.000 0.801 321 P CB 0.602 31.942 31.700 -0.600 0.000 1.127 322 R N -0.135 120.241 120.500 -0.206 0.000 2.659 322 R HA 0.355 4.695 4.340 -0.000 0.000 0.418 322 R C -0.495 175.888 176.300 0.139 0.000 1.076 322 R CA -0.077 56.015 56.100 -0.013 0.000 1.093 322 R CB -0.138 30.180 30.300 0.031 0.000 1.400 322 R HN 0.544 nan 8.270 nan 0.000 0.583 323 F N -1.770 118.094 119.950 -0.143 0.000 2.779 323 F HA 0.682 5.209 4.527 -0.000 0.000 0.316 323 F C -1.235 174.508 175.800 -0.096 0.000 1.164 323 F CA -1.188 56.750 58.000 -0.103 0.000 0.924 323 F CB 1.201 40.144 39.000 -0.094 0.000 1.348 323 F HN -0.151 nan 8.300 nan 0.000 0.467 324 S N 0.321 115.946 115.700 -0.126 0.000 2.541 324 S HA 0.783 5.253 4.470 -0.000 0.000 0.271 324 S C -1.802 172.781 174.600 -0.029 0.000 1.133 324 S CA -0.825 57.254 58.200 -0.203 0.000 0.876 324 S CB 1.471 64.584 63.200 -0.145 0.000 1.105 324 S HN 0.814 nan 8.310 nan 0.000 0.470 325 V N 2.347 122.251 119.914 -0.018 0.000 2.398 325 V HA 0.655 4.775 4.120 -0.000 0.000 0.286 325 V C -0.695 175.407 176.094 0.013 0.000 1.026 325 V CA -0.308 62.027 62.300 0.059 0.000 0.868 325 V CB 1.376 33.287 31.823 0.147 0.000 0.982 325 V HN 0.885 nan 8.190 nan 0.000 0.443 326 Q N 3.133 122.927 119.800 -0.009 0.000 2.490 326 Q HA 0.581 4.921 4.340 -0.000 0.000 0.255 326 Q C 0.391 176.361 176.000 -0.050 0.000 0.997 326 Q CA 0.531 56.319 55.803 -0.025 0.000 0.709 326 Q CB 1.104 29.820 28.738 -0.036 0.000 1.255 326 Q HN 1.076 nan 8.270 nan 0.000 0.486 327 G N 2.499 111.272 108.800 -0.045 0.000 2.609 327 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.288 327 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.288 327 G C 0.532 175.295 174.900 -0.228 0.000 1.211 327 G CA 0.676 45.722 45.100 -0.090 0.000 0.963 327 G HN 1.103 nan 8.290 nan 0.000 0.541 328 S N -0.036 115.486 115.700 -0.297 0.000 2.557 328 S HA 0.502 4.971 4.470 -0.000 0.000 0.223 328 S C 0.736 175.028 174.600 -0.513 0.000 0.969 328 S CA 1.033 58.874 58.200 -0.598 0.000 0.927 328 S CB 0.460 63.446 63.200 -0.357 0.000 0.806 328 S HN 0.810 nan 8.310 nan 0.000 0.489 329 R N 1.004 121.359 120.500 -0.241 0.000 2.439 329 R HA 0.636 4.976 4.340 -0.000 0.000 0.310 329 R C -1.646 174.571 176.300 -0.138 0.000 0.955 329 R CA -0.364 55.650 56.100 -0.144 0.000 0.853 329 R CB 1.560 31.808 30.300 -0.087 0.000 1.171 329 R HN 0.156 nan 8.270 nan 0.000 0.449 330 V N 3.360 123.075 119.914 -0.330 0.000 2.472 330 V HA 0.825 4.945 4.120 -0.000 0.000 0.290 330 V C -0.372 175.464 176.094 -0.431 0.000 1.037 330 V CA -0.465 61.570 62.300 -0.441 0.000 0.908 330 V CB 1.597 32.814 31.823 -1.011 0.000 0.985 330 V HN 0.938 nan 8.190 nan 0.000 0.454 331 A N 3.626 126.344 122.820 -0.170 0.000 2.455 331 A HA 0.922 5.242 4.320 -0.000 0.000 0.300 331 A C -0.426 177.173 177.584 0.025 0.000 1.040 331 A CA -0.137 51.852 52.037 -0.079 0.000 0.697 331 A CB 2.082 21.047 19.000 -0.058 0.000 1.265 331 A HN 1.134 nan 8.150 nan 0.000 0.407 332 S N 0.385 116.115 115.700 0.050 0.000 2.638 332 S HA 0.570 5.040 4.470 -0.000 0.000 0.274 332 S C 1.111 175.737 174.600 0.043 0.000 1.157 332 S CA 0.452 58.708 58.200 0.094 0.000 0.826 332 S CB 1.072 64.369 63.200 0.161 0.000 1.139 332 S HN 1.952 nan 8.310 nan 0.000 0.474 333 S N 0.540 116.261 115.700 0.034 0.000 2.400 333 S HA -0.145 4.325 4.470 -0.000 0.000 0.234 333 S C 1.385 175.934 174.600 -0.084 0.000 1.049 333 S CA 1.980 60.170 58.200 -0.017 0.000 1.039 333 S CB -0.834 62.366 63.200 -0.001 0.000 0.856 333 S HN 0.660 nan 8.310 nan 0.000 0.465 334 L N -2.430 118.751 121.223 -0.071 0.000 2.467 334 L HA 0.408 4.748 4.340 -0.000 0.000 0.213 334 L C 0.175 176.802 176.870 -0.405 0.000 1.053 334 L CA -0.212 54.430 54.840 -0.331 0.000 0.847 334 L CB 0.169 42.055 42.059 -0.289 0.000 1.075 334 L HN 0.313 nan 8.230 nan 0.000 0.479 335 W N -0.898 120.381 121.300 -0.035 0.000 2.736 335 W HA 0.516 5.176 4.660 -0.000 0.000 0.335 335 W C -0.171 176.329 176.519 -0.031 0.000 1.059 335 W CA -0.469 56.882 57.345 0.009 0.000 1.226 335 W CB 1.936 31.375 29.460 -0.034 0.000 1.416 335 W HN -0.435 nan 8.180 nan 0.000 0.505 336 T N 3.919 118.646 114.554 0.288 0.000 3.011 336 T HA 0.668 5.017 4.350 -0.000 0.000 0.303 336 T C -1.368 173.454 174.700 0.203 0.000 0.997 336 T CA -0.431 61.734 62.100 0.109 0.000 1.007 336 T CB 0.097 68.999 68.868 0.058 0.000 1.017 336 T HN 0.300 nan 8.240 nan 0.000 0.443 337 F N 1.004 120.956 119.950 0.004 0.000 2.741 337 F HA 0.847 5.373 4.527 -0.000 0.000 0.313 337 F C -0.701 175.152 175.800 0.088 0.000 1.153 337 F CA -1.154 56.860 58.000 0.023 0.000 0.931 337 F CB 1.116 40.070 39.000 -0.077 0.000 1.335 337 F HN 0.387 nan 8.300 nan 0.000 0.460 338 S N 0.978 116.881 115.700 0.340 0.000 2.578 338 S HA 0.882 5.352 4.470 -0.000 0.000 0.301 338 S C -1.222 173.636 174.600 0.429 0.000 1.091 338 S CA -0.493 57.860 58.200 0.254 0.000 1.032 338 S CB 1.016 64.373 63.200 0.263 0.000 1.064 338 S HN 0.932 nan 8.310 nan 0.000 0.508 339 F N 0.381 120.446 119.950 0.191 0.000 2.645 339 F HA 0.930 5.457 4.527 -0.000 0.000 0.310 339 F C -0.231 175.613 175.800 0.074 0.000 1.102 339 F CA -0.426 57.659 58.000 0.142 0.000 0.952 339 F CB 1.047 40.120 39.000 0.121 0.000 1.326 339 F HN 0.829 nan 8.300 nan 0.000 0.456 340 G N 1.051 110.083 108.800 0.387 0.000 2.495 340 G HA2 0.571 4.531 3.960 -0.000 0.000 0.294 340 G HA3 0.571 4.531 3.960 -0.000 0.000 0.294 340 G C -2.695 172.485 174.900 0.466 0.000 1.397 340 G CA -1.060 44.281 45.100 0.401 0.000 0.790 340 G HN 0.862 nan 8.290 nan 0.000 0.486 341 L N 0.763 122.222 121.223 0.393 0.000 2.409 341 L HA 0.613 4.953 4.340 -0.000 0.000 0.272 341 L C 0.961 177.938 176.870 0.179 0.000 0.980 341 L CA -0.849 54.015 54.840 0.040 0.000 0.826 341 L CB 2.109 43.778 42.059 -0.649 0.000 1.268 341 L HN 0.831 nan 8.230 nan 0.000 0.407 342 G N 1.054 109.912 108.800 0.096 0.000 2.544 342 G HA2 0.339 4.299 3.960 -0.000 0.000 0.242 342 G HA3 0.339 4.299 3.960 -0.000 0.000 0.242 342 G C 0.889 175.798 174.900 0.015 0.000 1.247 342 G CA 0.285 45.456 45.100 0.118 0.000 0.840 342 G HN 0.844 nan 8.290 nan 0.000 0.578 343 A N 0.791 123.585 122.820 -0.045 0.000 1.968 343 A HA 0.194 4.514 4.320 -0.000 0.000 0.217 343 A C 1.681 178.891 177.584 -0.624 0.000 1.169 343 A CA 1.242 53.054 52.037 -0.374 0.000 0.638 343 A CB -0.160 18.362 19.000 -0.797 0.000 0.812 343 A HN 0.550 nan 8.150 nan 0.000 0.446 344 F N -1.077 118.929 119.950 0.094 0.000 2.537 344 F HA 0.077 4.604 4.527 -0.000 0.000 0.277 344 F C 2.740 178.538 175.800 -0.003 0.000 1.013 344 F CA 0.690 58.731 58.000 0.070 0.000 1.332 344 F CB -0.650 38.390 39.000 0.068 0.000 1.108 344 F HN 0.199 nan 8.300 nan 0.000 0.679 345 S N 0.029 115.804 115.700 0.125 0.000 2.382 345 S HA 0.215 4.685 4.470 -0.000 0.000 0.228 345 S C 1.551 176.035 174.600 -0.193 0.000 1.027 345 S CA 1.240 59.422 58.200 -0.031 0.000 0.991 345 S CB -0.859 62.344 63.200 0.004 0.000 0.823 345 S HN 0.773 nan 8.310 nan 0.000 0.469 346 G N 0.823 109.509 108.800 -0.190 0.000 2.499 346 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.232 346 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.232 346 G C -2.934 171.786 174.900 -0.300 0.000 1.251 346 G CA -0.489 44.414 45.100 -0.328 0.000 0.917 346 G HN 0.554 nan 8.290 nan 0.000 0.580 347 P HA 0.383 nan 4.420 nan 0.000 0.269 347 P C -0.023 177.186 177.300 -0.152 0.000 1.211 347 P CA 0.750 63.730 63.100 -0.201 0.000 0.781 347 P CB 0.306 31.873 31.700 -0.221 0.000 0.877 348 R N 1.183 121.652 120.500 -0.052 0.000 2.664 348 R HA 0.679 5.019 4.340 -0.000 0.000 0.260 348 R C -1.547 174.672 176.300 -0.136 0.000 1.062 348 R CA -0.921 55.079 56.100 -0.166 0.000 0.902 348 R CB 0.550 30.768 30.300 -0.137 0.000 1.258 348 R HN 0.413 nan 8.270 nan 0.000 0.465 349 I N -1.236 119.100 120.570 -0.391 0.000 2.686 349 I HA 0.694 4.864 4.170 -0.000 0.000 0.295 349 I C -1.377 174.352 176.117 -0.646 0.000 1.114 349 I CA -1.086 60.074 61.300 -0.234 0.000 1.038 349 I CB 2.001 39.949 38.000 -0.086 0.000 1.238 349 I HN 0.468 nan 8.210 nan 0.000 0.420 350 F N 1.732 121.538 119.950 -0.240 0.000 2.593 350 F HA 0.474 5.001 4.527 -0.000 0.000 0.320 350 F C 0.243 175.849 175.800 -0.323 0.000 1.060 350 F CA -0.473 57.171 58.000 -0.594 0.000 0.940 350 F CB 1.455 39.546 39.000 -1.515 0.000 1.268 350 F HN 0.729 nan 8.300 nan 0.000 0.475 351 D N 1.079 121.395 120.400 -0.140 0.000 2.705 351 D HA -0.149 4.491 4.640 -0.000 0.000 0.240 351 D C -1.086 175.308 176.300 0.158 0.000 1.137 351 D CA 0.237 54.271 54.000 0.058 0.000 0.677 351 D CB -0.684 40.216 40.800 0.166 0.000 1.049 351 D HN 0.180 nan 8.370 nan 0.000 0.427 352 V N 1.881 121.889 119.914 0.157 0.000 2.455 352 V HA 0.341 4.461 4.120 -0.000 0.000 0.273 352 V C 1.067 177.344 176.094 0.304 0.000 1.045 352 V CA 0.316 62.781 62.300 0.275 0.000 0.976 352 V CB 1.270 33.261 31.823 0.278 0.000 0.993 352 V HN 0.170 nan 8.190 nan 0.000 0.475 353 R N 4.226 124.931 120.500 0.341 0.000 2.502 353 R HA 0.419 4.759 4.340 -0.000 0.000 0.300 353 R C -1.218 175.206 176.300 0.206 0.000 0.984 353 R CA -0.553 55.697 56.100 0.250 0.000 0.882 353 R CB 2.010 32.408 30.300 0.163 0.000 1.180 353 R HN 0.603 nan 8.270 nan 0.000 0.444 354 F N 2.911 122.822 119.950 -0.065 0.000 2.411 354 F HA 0.103 4.630 4.527 -0.000 0.000 0.355 354 F C 0.614 176.335 175.800 -0.132 0.000 1.117 354 F CA -0.001 57.770 58.000 -0.381 0.000 1.139 354 F CB 0.890 39.621 39.000 -0.450 0.000 1.120 354 F HN 0.618 nan 8.300 nan 0.000 0.493 355 Q N 4.587 123.947 119.800 -0.733 0.000 2.416 355 Q HA -0.252 4.088 4.340 -0.000 0.000 0.319 355 Q C 1.143 177.054 176.000 -0.147 0.000 1.318 355 Q CA 1.069 56.600 55.803 -0.452 0.000 0.915 355 Q CB -1.333 27.120 28.738 -0.475 0.000 1.184 355 Q HN 1.295 nan 8.270 nan 0.000 0.444 356 G N -0.471 108.281 108.800 -0.079 0.000 2.253 356 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.251 356 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.251 356 G C -0.075 174.862 174.900 0.063 0.000 0.998 356 G CA 0.362 45.460 45.100 -0.002 0.000 0.621 356 G HN 0.506 nan 8.290 nan 0.000 0.524 357 E N 0.566 120.836 120.200 0.118 0.000 2.175 357 E HA 0.542 4.892 4.350 -0.000 0.000 0.278 357 E C 0.566 177.289 176.600 0.206 0.000 0.969 357 E CA -1.020 55.485 56.400 0.174 0.000 0.796 357 E CB 0.586 30.428 29.700 0.236 0.000 1.104 357 E HN 0.423 nan 8.360 nan 0.000 0.395 358 R N 4.801 125.411 120.500 0.184 0.000 2.389 358 R HA 0.125 4.465 4.340 -0.000 0.000 0.295 358 R C 0.169 176.558 176.300 0.148 0.000 1.075 358 R CA -0.027 56.178 56.100 0.174 0.000 1.005 358 R CB 0.486 30.889 30.300 0.171 0.000 0.987 358 R HN 0.707 nan 8.270 nan 0.000 0.452 359 L N 4.185 125.454 121.223 0.078 0.000 2.269 359 L HA 0.198 4.538 4.340 -0.000 0.000 0.200 359 L C 0.279 177.098 176.870 -0.085 0.000 1.069 359 L CA 0.053 54.823 54.840 -0.117 0.000 0.804 359 L CB 0.235 42.112 42.059 -0.304 0.000 0.987 359 L HN 0.523 nan 8.230 nan 0.000 0.468 360 V N -4.338 115.571 119.914 -0.009 0.000 2.656 360 V HA 0.257 4.377 4.120 -0.000 0.000 0.307 360 V C 0.444 176.578 176.094 0.067 0.000 1.051 360 V CA -0.878 61.424 62.300 0.004 0.000 0.893 360 V CB 1.363 33.151 31.823 -0.059 0.000 0.999 360 V HN 0.221 nan 8.190 nan 0.000 0.426 361 Y N 3.079 123.370 120.300 -0.014 0.000 2.200 361 Y HA 0.201 4.751 4.550 -0.000 0.000 0.290 361 Y C 1.074 176.944 175.900 -0.050 0.000 1.137 361 Y CA 2.050 60.163 58.100 0.020 0.000 1.163 361 Y CB 0.429 38.920 38.460 0.052 0.000 0.988 361 Y HN 0.882 nan 8.280 nan 0.000 0.518 362 E N 0.097 120.240 120.200 -0.095 0.000 2.335 362 E HA 0.444 4.794 4.350 -0.000 0.000 0.280 362 E C -1.870 174.527 176.600 -0.338 0.000 0.918 362 E CA -0.604 55.550 56.400 -0.410 0.000 0.765 362 E CB 1.437 31.033 29.700 -0.174 0.000 1.218 362 E HN 0.159 nan 8.360 nan 0.000 0.425 363 I N 2.951 123.254 120.570 -0.445 0.000 2.499 363 I HA 0.416 4.586 4.170 -0.000 0.000 0.288 363 I C -1.126 174.806 176.117 -0.308 0.000 1.048 363 I CA -0.726 60.404 61.300 -0.283 0.000 1.062 363 I CB 2.064 39.932 38.000 -0.219 0.000 1.238 363 I HN 0.588 nan 8.210 nan 0.000 0.426 364 S N 5.582 121.169 115.700 -0.189 0.000 2.563 364 S HA 0.426 4.896 4.470 -0.000 0.000 0.279 364 S C -0.989 173.517 174.600 -0.157 0.000 1.155 364 S CA -0.802 57.286 58.200 -0.187 0.000 0.928 364 S CB 1.707 64.781 63.200 -0.209 0.000 1.107 364 S HN 0.509 nan 8.310 nan 0.000 0.462 365 L N 2.616 123.682 121.223 -0.263 0.000 2.559 365 L HA 0.265 4.605 4.340 -0.000 0.000 0.282 365 L C 1.058 177.661 176.870 -0.443 0.000 1.232 365 L CA 1.089 55.587 54.840 -0.570 0.000 0.885 365 L CB 0.131 41.664 42.059 -0.877 0.000 1.131 365 L HN 0.865 nan 8.230 nan 0.000 0.498 366 Q N 2.069 121.561 119.800 -0.513 0.000 2.431 366 Q HA 0.277 4.616 4.340 -0.000 0.000 0.244 366 Q C -0.177 175.593 176.000 -0.384 0.000 0.880 366 Q CA 0.322 55.924 55.803 -0.335 0.000 0.954 366 Q CB 0.834 29.426 28.738 -0.243 0.000 1.105 366 Q HN 0.716 nan 8.270 nan 0.000 0.558 367 E N -1.107 118.751 120.200 -0.569 0.000 2.388 367 E HA 0.635 4.985 4.350 -0.000 0.000 0.281 367 E C -2.032 174.312 176.600 -0.427 0.000 1.046 367 E CA -0.276 55.866 56.400 -0.430 0.000 0.825 367 E CB 1.576 31.013 29.700 -0.438 0.000 1.243 367 E HN 0.063 nan 8.360 nan 0.000 0.438 368 A N 2.106 124.831 122.820 -0.158 0.000 2.401 368 A HA 0.845 5.165 4.320 -0.000 0.000 0.310 368 A C -1.751 175.922 177.584 0.149 0.000 1.075 368 A CA -0.560 51.429 52.037 -0.081 0.000 0.746 368 A CB 1.119 19.957 19.000 -0.269 0.000 1.277 368 A HN 0.396 nan 8.150 nan 0.000 0.425 369 L N 0.941 122.280 121.223 0.192 0.000 2.370 369 L HA 0.900 5.240 4.340 -0.000 0.000 0.266 369 L C -0.248 176.652 176.870 0.051 0.000 1.002 369 L CA -0.166 54.717 54.840 0.071 0.000 0.818 369 L CB 2.051 44.037 42.059 -0.121 0.000 1.325 369 L HN 1.175 nan 8.230 nan 0.000 0.418 370 A N 5.266 128.082 122.820 -0.007 0.000 2.530 370 A HA 0.661 4.981 4.320 -0.000 0.000 0.279 370 A C -1.222 176.269 177.584 -0.155 0.000 1.109 370 A CA -0.249 51.734 52.037 -0.089 0.000 0.763 370 A CB 0.398 19.447 19.000 0.082 0.000 1.257 370 A HN 0.565 nan 8.150 nan 0.000 0.424 371 I N 2.925 123.330 120.570 -0.273 0.000 2.321 371 I HA 0.375 4.545 4.170 -0.000 0.000 0.291 371 I C -0.719 175.268 176.117 -0.216 0.000 0.998 371 I CA -0.356 60.819 61.300 -0.209 0.000 1.227 371 I CB 0.880 38.742 38.000 -0.230 0.000 1.368 371 I HN 0.664 nan 8.210 nan 0.000 0.466 372 Y N 3.887 124.111 120.300 -0.127 0.000 2.568 372 Y HA 0.786 5.336 4.550 -0.000 0.000 0.327 372 Y C 0.772 176.632 175.900 -0.067 0.000 1.163 372 Y CA -0.448 57.602 58.100 -0.082 0.000 1.219 372 Y CB 1.991 40.373 38.460 -0.129 0.000 1.308 372 Y HN 0.509 nan 8.280 nan 0.000 0.503 373 G N -1.073 107.813 108.800 0.144 0.000 2.694 373 G HA2 0.648 4.608 3.960 -0.000 0.000 0.290 373 G HA3 0.648 4.608 3.960 -0.000 0.000 0.290 373 G C -1.030 173.895 174.900 0.041 0.000 1.386 373 G CA -0.384 44.765 45.100 0.082 0.000 0.872 373 G HN 0.985 nan 8.290 nan 0.000 0.475 374 G N -0.779 107.924 108.800 -0.161 0.000 2.313 374 G HA2 0.294 4.253 3.960 -0.000 0.000 0.296 374 G HA3 0.294 4.253 3.960 -0.000 0.000 0.296 374 G C 0.192 174.653 174.900 -0.732 0.000 1.356 374 G CA 0.035 44.912 45.100 -0.372 0.000 0.833 374 G HN 0.664 nan 8.290 nan 0.000 0.552 375 N N -0.513 117.866 118.700 -0.535 0.000 2.084 375 N HA -0.044 4.696 4.740 -0.000 0.000 0.190 375 N C 1.724 177.076 175.510 -0.263 0.000 1.030 375 N CA 1.859 54.711 53.050 -0.330 0.000 0.849 375 N CB -0.014 38.461 38.487 -0.020 0.000 1.012 375 N HN 0.820 nan 8.380 nan 0.000 0.423 376 S N -1.020 114.463 115.700 -0.361 0.000 2.646 376 S HA 0.391 4.861 4.470 -0.000 0.000 0.276 376 S C -2.002 172.125 174.600 -0.788 0.000 1.222 376 S CA -1.315 56.437 58.200 -0.746 0.000 1.014 376 S CB 1.944 64.800 63.200 -0.574 0.000 0.991 376 S HN -0.048 nan 8.310 nan 0.000 0.533 377 P HA 0.092 nan 4.420 nan 0.000 0.221 377 P C 1.452 178.144 177.300 -1.014 0.000 1.150 377 P CA 1.338 63.797 63.100 -1.069 0.000 0.800 377 P CB -0.153 30.488 31.700 -1.765 0.000 0.787 378 A N 0.620 122.913 122.820 -0.879 0.000 1.845 378 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 378 A C 2.367 179.724 177.584 -0.378 0.000 1.195 378 A CA 2.360 54.114 52.037 -0.473 0.000 0.616 378 A CB -1.690 17.147 19.000 -0.271 0.000 0.832 378 A HN 0.185 nan 8.150 nan 0.000 0.443 379 A N 0.363 122.957 122.820 -0.376 0.000 1.908 379 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 379 A C 2.316 179.777 177.584 -0.205 0.000 1.181 379 A CA 2.276 54.136 52.037 -0.295 0.000 0.627 379 A CB -0.745 18.114 19.000 -0.236 0.000 0.818 379 A HN 0.871 nan 8.150 nan 0.000 0.445 380 M N -2.607 116.848 119.600 -0.243 0.000 2.562 380 M HA 0.065 4.545 4.480 -0.000 0.000 0.257 380 M C 1.383 177.620 176.300 -0.106 0.000 1.099 380 M CA 1.885 57.091 55.300 -0.157 0.000 1.099 380 M CB -0.572 31.915 32.600 -0.189 0.000 1.427 380 M HN 0.069 nan 8.290 nan 0.000 0.489 381 T N 0.801 115.270 114.554 -0.141 0.000 3.054 381 T HA 0.058 4.408 4.350 -0.000 0.000 0.259 381 T C 0.493 175.166 174.700 -0.044 0.000 1.092 381 T CA 0.666 62.740 62.100 -0.043 0.000 1.121 381 T CB -0.082 68.791 68.868 0.007 0.000 0.912 381 T HN 0.442 nan 8.240 nan 0.000 0.489 382 T N 3.502 117.977 114.554 -0.131 0.000 2.784 382 T HA 0.266 4.616 4.350 -0.000 0.000 0.291 382 T C 0.082 174.699 174.700 -0.138 0.000 0.942 382 T CA 0.149 62.111 62.100 -0.231 0.000 1.161 382 T CB 0.188 68.782 68.868 -0.457 0.000 0.885 382 T HN 0.046 nan 8.240 nan 0.000 0.534 383 R N 3.017 123.421 120.500 -0.160 0.000 2.513 383 R HA 0.282 4.622 4.340 -0.000 0.000 0.283 383 R C -1.311 174.933 176.300 -0.092 0.000 1.535 383 R CA -0.547 55.474 56.100 -0.131 0.000 1.315 383 R CB 0.313 30.585 30.300 -0.047 0.000 1.163 383 R HN 0.508 nan 8.270 nan 0.000 0.573 384 Y N 1.124 121.441 120.300 0.028 0.000 2.436 384 Y HA 0.144 4.694 4.550 -0.000 0.000 0.336 384 Y C 0.676 176.602 175.900 0.043 0.000 1.049 384 Y CA -0.564 57.571 58.100 0.059 0.000 1.294 384 Y CB 0.972 39.434 38.460 0.004 0.000 1.179 384 Y HN 0.139 nan 8.280 nan 0.000 0.520 385 V N 5.102 125.204 119.914 0.314 0.000 2.270 385 V HA 0.082 4.202 4.120 -0.000 0.000 0.263 385 V C 0.499 176.783 176.094 0.318 0.000 1.066 385 V CA -0.665 61.795 62.300 0.267 0.000 0.857 385 V CB 0.726 32.721 31.823 0.285 0.000 1.099 385 V HN 0.769 nan 8.190 nan 0.000 0.476 386 D N 4.113 124.656 120.400 0.238 0.000 2.351 386 D HA -0.091 4.549 4.640 -0.000 0.000 0.216 386 D C 2.087 178.543 176.300 0.261 0.000 0.968 386 D CA 1.284 55.406 54.000 0.203 0.000 0.899 386 D CB 0.282 41.163 40.800 0.135 0.000 0.907 386 D HN 0.683 nan 8.370 nan 0.000 0.514 387 G N 0.923 109.854 108.800 0.218 0.000 2.450 387 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 387 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 387 G C 1.688 176.755 174.900 0.279 0.000 1.130 387 G CA 0.862 46.093 45.100 0.217 0.000 0.760 387 G HN 0.381 nan 8.290 nan 0.000 0.557 388 G N -0.291 108.673 108.800 0.273 0.000 2.498 388 G HA2 0.015 3.975 3.960 -0.000 0.000 0.219 388 G HA3 0.015 3.975 3.960 -0.000 0.000 0.219 388 G C 1.357 176.379 174.900 0.203 0.000 1.119 388 G CA 0.586 45.794 45.100 0.180 0.000 0.766 388 G HN 0.383 nan 8.290 nan 0.000 0.552 389 F N 0.254 120.345 119.950 0.234 0.000 2.315 389 F HA 0.435 4.962 4.527 -0.000 0.000 0.284 389 F C 1.503 177.585 175.800 0.469 0.000 1.049 389 F CA 0.624 58.800 58.000 0.294 0.000 1.323 389 F CB -0.046 38.923 39.000 -0.052 0.000 1.113 389 F HN 0.250 nan 8.300 nan 0.000 0.544 390 G N 0.109 109.243 108.800 0.556 0.000 3.160 390 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.573 390 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.573 390 G C -0.109 174.954 174.900 0.272 0.000 1.286 390 G CA -0.680 44.686 45.100 0.444 0.000 1.151 390 G HN -0.003 nan 8.290 nan 0.000 0.555 391 M N 1.899 121.574 119.600 0.125 0.000 2.374 391 M HA 0.133 4.613 4.480 -0.000 0.000 0.264 391 M C 2.403 178.656 176.300 -0.077 0.000 1.067 391 M CA 2.597 57.931 55.300 0.056 0.000 1.103 391 M CB -0.105 32.450 32.600 -0.075 0.000 1.402 391 M HN 0.778 nan 8.290 nan 0.000 0.444 392 G N -0.897 107.788 108.800 -0.191 0.000 2.411 392 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.213 392 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.213 392 G C 1.572 176.240 174.900 -0.387 0.000 1.166 392 G CA 0.415 45.229 45.100 -0.477 0.000 0.802 392 G HN 0.412 nan 8.290 nan 0.000 0.533 393 K N -0.481 119.836 120.400 -0.139 0.000 2.032 393 K HA -0.128 4.192 4.320 -0.000 0.000 0.209 393 K C 1.516 177.959 176.600 -0.261 0.000 1.048 393 K CA 1.166 57.343 56.287 -0.183 0.000 0.927 393 K CB -0.281 32.200 32.500 -0.031 0.000 0.712 393 K HN 0.388 nan 8.250 nan 0.000 0.441 394 Y N 1.442 121.685 120.300 -0.095 0.000 2.470 394 Y HA 0.087 4.637 4.550 -0.000 0.000 0.302 394 Y C 0.296 176.141 175.900 -0.091 0.000 1.194 394 Y CA -0.054 58.018 58.100 -0.046 0.000 1.271 394 Y CB -0.122 38.355 38.460 0.029 0.000 1.092 394 Y HN -0.063 nan 8.280 nan 0.000 0.513 395 T N 0.761 115.252 114.554 -0.106 0.000 2.855 395 T HA 0.270 4.620 4.350 -0.000 0.000 0.314 395 T C 0.506 175.139 174.700 -0.113 0.000 1.077 395 T CA 0.200 62.200 62.100 -0.166 0.000 1.095 395 T CB 0.658 69.280 68.868 -0.411 0.000 0.987 395 T HN 0.300 nan 8.240 nan 0.000 0.546 396 T N -0.449 114.051 114.554 -0.090 0.000 2.900 396 T HA 0.567 4.917 4.350 -0.000 0.000 0.303 396 T C -3.201 171.444 174.700 -0.092 0.000 1.142 396 T CA -2.171 59.891 62.100 -0.064 0.000 1.007 396 T CB 1.439 70.300 68.868 -0.012 0.000 1.156 396 T HN 0.190 nan 8.240 nan 0.000 0.490 397 P HA 0.277 nan 4.420 nan 0.000 0.266 397 P C -0.663 176.544 177.300 -0.156 0.000 1.195 397 P CA -0.409 62.573 63.100 -0.196 0.000 0.768 397 P CB 0.304 31.770 31.700 -0.391 0.000 0.838 398 L N 2.323 123.478 121.223 -0.114 0.000 2.290 398 L HA 0.257 4.597 4.340 -0.000 0.000 0.284 398 L C 0.717 177.503 176.870 -0.141 0.000 1.078 398 L CA -0.087 54.736 54.840 -0.029 0.000 0.815 398 L CB 0.437 42.584 42.059 0.148 0.000 1.162 398 L HN 0.270 nan 8.230 nan 0.000 0.435 399 T N 3.868 118.401 114.554 -0.035 0.000 2.743 399 T HA 0.284 4.634 4.350 -0.000 0.000 0.293 399 T C 0.181 174.917 174.700 0.061 0.000 0.945 399 T CA -0.619 61.503 62.100 0.037 0.000 1.030 399 T CB 0.242 69.249 68.868 0.231 0.000 0.912 399 T HN 0.437 nan 8.240 nan 0.000 0.483 400 R N 2.100 122.567 120.500 -0.055 0.000 2.491 400 R HA 0.429 4.769 4.340 -0.000 0.000 0.283 400 R C 1.373 177.876 176.300 0.339 0.000 1.072 400 R CA 0.067 56.148 56.100 -0.031 0.000 1.048 400 R CB 0.106 30.166 30.300 -0.399 0.000 0.983 400 R HN 0.959 nan 8.270 nan 0.000 0.450 401 G N 1.093 110.090 108.800 0.328 0.000 2.199 401 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.254 401 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.254 401 G C 0.471 175.461 174.900 0.149 0.000 0.982 401 G CA 0.329 45.614 45.100 0.308 0.000 0.632 401 G HN 0.462 nan 8.290 nan 0.000 0.529 402 V N -0.013 119.980 119.914 0.132 0.000 2.950 402 V HA 0.161 4.281 4.120 -0.000 0.000 0.231 402 V C 2.066 178.178 176.094 0.031 0.000 1.205 402 V CA 1.583 63.923 62.300 0.067 0.000 1.239 402 V CB -0.064 31.807 31.823 0.081 0.000 1.050 402 V HN 0.205 nan 8.190 nan 0.000 0.498 403 D N -0.309 120.123 120.400 0.054 0.000 2.234 403 D HA 0.043 4.683 4.640 -0.000 0.000 0.205 403 D C 0.471 176.768 176.300 -0.004 0.000 0.962 403 D CA 0.913 54.929 54.000 0.026 0.000 0.855 403 D CB 0.276 41.108 40.800 0.052 0.000 0.951 403 D HN 0.410 nan 8.370 nan 0.000 0.500 404 c N -0.232 118.367 118.600 -0.001 0.000 3.171 404 c HA 0.412 4.982 4.570 -0.000 0.000 0.308 404 c C -2.472 171.492 174.090 -0.209 0.000 1.334 404 c CA -1.735 54.446 56.329 -0.248 0.000 1.473 404 c CB 1.742 44.073 42.510 -0.298 0.000 1.866 404 c HN -0.016 nan 8.230 nan 0.000 0.465 405 P HA -0.006 nan 4.420 nan 0.000 0.265 405 P C 0.093 177.415 177.300 0.036 0.000 1.187 405 P CA 0.338 63.318 63.100 -0.199 0.000 0.766 405 P CB 0.230 31.736 31.700 -0.323 0.000 0.820 406 Y N 3.074 123.390 120.300 0.026 0.000 2.256 406 Y HA -0.115 4.435 4.550 -0.000 0.000 0.288 406 Y C 1.397 177.401 175.900 0.174 0.000 1.155 406 Y CA 1.677 59.849 58.100 0.120 0.000 1.203 406 Y CB -0.228 38.284 38.460 0.086 0.000 0.980 406 Y HN 0.222 nan 8.280 nan 0.000 0.530 407 L N 0.447 121.766 121.223 0.160 0.000 2.783 407 L HA 0.322 4.662 4.340 -0.000 0.000 0.236 407 L C 0.796 177.774 176.870 0.179 0.000 1.225 407 L CA -0.326 54.591 54.840 0.129 0.000 1.026 407 L CB -0.759 41.367 42.059 0.112 0.000 1.314 407 L HN 0.119 nan 8.230 nan 0.000 0.489 408 A N 0.233 123.115 122.820 0.104 0.000 2.332 408 A HA 0.431 4.751 4.320 -0.000 0.000 0.258 408 A C 0.617 178.188 177.584 -0.023 0.000 1.087 408 A CA -0.143 51.913 52.037 0.031 0.000 0.802 408 A CB 0.367 19.153 19.000 -0.356 0.000 1.042 408 A HN 0.290 nan 8.150 nan 0.000 0.489 409 T N -0.330 114.278 114.554 0.091 0.000 2.856 409 T HA 0.584 4.934 4.350 -0.000 0.000 0.292 409 T C -0.793 173.861 174.700 -0.077 0.000 0.980 409 T CA -0.036 62.112 62.100 0.081 0.000 1.091 409 T CB 0.055 69.003 68.868 0.134 0.000 0.936 409 T HN 0.364 nan 8.240 nan 0.000 0.503 410 Y N 1.832 122.198 120.300 0.110 0.000 2.429 410 Y HA 0.629 5.178 4.550 -0.000 0.000 0.342 410 Y C -0.134 175.849 175.900 0.137 0.000 1.004 410 Y CA -1.043 57.120 58.100 0.105 0.000 1.075 410 Y CB 2.275 40.744 38.460 0.015 0.000 1.214 410 Y HN 0.551 nan 8.280 nan 0.000 0.455 411 V N 2.730 122.855 119.914 0.352 0.000 2.735 411 V HA 0.335 4.455 4.120 -0.000 0.000 0.310 411 V C -0.716 175.610 176.094 0.387 0.000 1.061 411 V CA -1.149 61.362 62.300 0.352 0.000 0.913 411 V CB 1.948 34.023 31.823 0.421 0.000 1.005 411 V HN 0.672 nan 8.190 nan 0.000 0.428 412 D N 1.292 121.849 120.400 0.261 0.000 2.354 412 D HA 0.340 4.980 4.640 -0.000 0.000 0.247 412 D C -0.847 175.602 176.300 0.250 0.000 1.138 412 D CA -0.005 54.083 54.000 0.146 0.000 0.958 412 D CB 1.404 42.180 40.800 -0.039 0.000 1.144 412 D HN 0.609 nan 8.370 nan 0.000 0.458 413 W N 1.237 122.488 121.300 -0.082 0.000 2.900 413 W HA 0.248 4.908 4.660 -0.000 0.000 0.336 413 W C -1.062 175.436 176.519 -0.035 0.000 1.064 413 W CA -0.448 56.922 57.345 0.041 0.000 1.237 413 W CB 0.812 30.331 29.460 0.098 0.000 1.391 413 W HN 0.261 nan 8.180 nan 0.000 0.468 414 H N 6.231 125.029 119.070 -0.454 0.000 2.499 414 H HA 0.635 5.191 4.556 -0.000 0.000 0.340 414 H C -0.790 174.091 175.328 -0.745 0.000 1.148 414 H CA -0.576 55.218 56.048 -0.424 0.000 1.215 414 H CB 1.872 31.475 29.762 -0.265 0.000 1.529 414 H HN 0.463 nan 8.280 nan 0.000 0.510 415 F N 0.271 119.858 119.950 -0.605 0.000 2.693 415 F HA 0.506 5.033 4.527 -0.000 0.000 0.309 415 F C -2.082 173.534 175.800 -0.307 0.000 1.129 415 F CA -1.233 56.398 58.000 -0.616 0.000 0.948 415 F CB 1.598 40.076 39.000 -0.871 0.000 1.315 415 F HN 0.325 nan 8.300 nan 0.000 0.447 416 L N 3.954 125.032 121.223 -0.241 0.000 2.442 416 L HA 0.668 5.008 4.340 -0.000 0.000 0.261 416 L C -1.928 174.868 176.870 -0.123 0.000 1.000 416 L CA -0.139 54.545 54.840 -0.260 0.000 0.882 416 L CB 1.174 43.118 42.059 -0.192 0.000 1.207 416 L HN 0.723 nan 8.230 nan 0.000 0.443 417 L N 4.031 125.200 121.223 -0.090 0.000 2.438 417 L HA 0.463 4.802 4.340 -0.000 0.000 0.270 417 L C 0.247 177.071 176.870 -0.078 0.000 0.972 417 L CA -0.726 54.063 54.840 -0.085 0.000 0.831 417 L CB 2.048 44.131 42.059 0.039 0.000 1.273 417 L HN 0.510 nan 8.230 nan 0.000 0.405 418 E N 0.502 120.625 120.200 -0.129 0.000 2.660 418 E HA -0.249 4.101 4.350 -0.000 0.000 0.260 418 E C -0.041 176.575 176.600 0.027 0.000 1.122 418 E CA 1.025 57.432 56.400 0.012 0.000 0.755 418 E CB -0.766 29.005 29.700 0.118 0.000 1.345 418 E HN 0.717 nan 8.360 nan 0.000 0.421 419 S N -1.813 113.868 115.700 -0.031 0.000 2.819 419 S HA 0.467 4.937 4.470 -0.000 0.000 0.299 419 S C 0.316 174.887 174.600 -0.049 0.000 1.192 419 S CA -0.696 57.482 58.200 -0.036 0.000 0.847 419 S CB 2.098 65.248 63.200 -0.082 0.000 1.224 419 S HN 0.078 nan 8.310 nan 0.000 0.537 420 Q N -0.632 119.137 119.800 -0.051 0.000 2.210 420 Q HA 0.415 4.755 4.340 -0.000 0.000 0.252 420 Q C 0.237 176.195 176.000 -0.070 0.000 0.811 420 Q CA 0.126 55.901 55.803 -0.047 0.000 0.953 420 Q CB 1.368 30.095 28.738 -0.018 0.000 1.136 420 Q HN 0.813 nan 8.270 nan 0.000 0.491 421 A N 2.785 125.551 122.820 -0.091 0.000 2.306 421 A HA 0.538 4.858 4.320 -0.000 0.000 0.314 421 A C -2.438 175.031 177.584 -0.192 0.000 1.164 421 A CA -1.500 50.467 52.037 -0.116 0.000 0.822 421 A CB 0.211 19.153 19.000 -0.098 0.000 1.130 421 A HN -0.106 nan 8.150 nan 0.000 0.496 422 P HA 0.236 nan 4.420 nan 0.000 0.276 422 P C -0.718 176.370 177.300 -0.354 0.000 1.230 422 P CA 0.099 63.013 63.100 -0.310 0.000 0.776 422 P CB 0.808 32.368 31.700 -0.234 0.000 0.888 423 K N 0.972 120.995 120.400 -0.627 0.000 2.245 423 K HA 0.650 4.970 4.320 -0.000 0.000 0.234 423 K C -0.047 176.324 176.600 -0.383 0.000 1.021 423 K CA -0.622 55.349 56.287 -0.527 0.000 0.898 423 K CB 1.241 33.357 32.500 -0.639 0.000 1.163 423 K HN 0.305 nan 8.250 nan 0.000 0.459 424 T N 1.146 115.657 114.554 -0.071 0.000 2.886 424 T HA 0.452 4.802 4.350 -0.000 0.000 0.292 424 T C -0.820 173.975 174.700 0.159 0.000 1.012 424 T CA -0.634 61.491 62.100 0.043 0.000 0.982 424 T CB 0.688 69.552 68.868 -0.007 0.000 1.018 424 T HN 0.309 nan 8.240 nan 0.000 0.451 425 I N 4.222 124.910 120.570 0.196 0.000 2.328 425 I HA 0.368 4.538 4.170 -0.000 0.000 0.287 425 I C 0.568 176.716 176.117 0.052 0.000 1.012 425 I CA -0.748 60.637 61.300 0.143 0.000 1.195 425 I CB 0.984 39.089 38.000 0.174 0.000 1.350 425 I HN 0.359 nan 8.210 nan 0.000 0.464 426 R N 5.681 126.174 120.500 -0.011 0.000 2.340 426 R HA 0.153 4.493 4.340 -0.000 0.000 0.300 426 R C -0.447 175.811 176.300 -0.071 0.000 1.069 426 R CA -0.412 55.663 56.100 -0.043 0.000 0.984 426 R CB 0.596 30.853 30.300 -0.073 0.000 1.003 426 R HN 0.579 nan 8.270 nan 0.000 0.459 427 D N 1.337 121.736 120.400 -0.001 0.000 2.746 427 D HA -0.176 4.464 4.640 -0.000 0.000 0.236 427 D C 0.702 177.040 176.300 0.064 0.000 1.129 427 D CA 1.185 55.213 54.000 0.046 0.000 0.691 427 D CB -1.038 39.681 40.800 -0.136 0.000 1.077 427 D HN 0.753 nan 8.370 nan 0.000 0.432 428 A N -0.989 121.873 122.820 0.070 0.000 1.970 428 A HA 0.193 4.513 4.320 -0.000 0.000 0.216 428 A C 0.743 178.194 177.584 -0.222 0.000 1.170 428 A CA 0.791 52.758 52.037 -0.116 0.000 0.645 428 A CB 0.169 19.050 19.000 -0.198 0.000 0.816 428 A HN 0.212 nan 8.150 nan 0.000 0.447 429 F N -1.288 118.738 119.950 0.127 0.000 2.556 429 F HA 0.548 5.075 4.527 -0.000 0.000 0.327 429 F C 0.276 176.113 175.800 0.062 0.000 1.059 429 F CA -1.112 56.935 58.000 0.079 0.000 0.953 429 F CB 1.568 40.613 39.000 0.076 0.000 1.227 429 F HN 0.228 nan 8.300 nan 0.000 0.478 430 c N 0.444 119.154 118.600 0.184 0.000 2.686 430 c HA 0.940 5.510 4.570 -0.000 0.000 0.318 430 c C -1.162 172.950 174.090 0.036 0.000 1.160 430 c CA -0.973 55.334 56.329 -0.037 0.000 1.396 430 c CB 0.529 42.874 42.510 -0.275 0.000 1.924 430 c HN 0.661 nan 8.230 nan 0.000 0.471 431 V N 3.626 123.557 119.914 0.028 0.000 2.604 431 V HA 0.918 5.038 4.120 -0.000 0.000 0.305 431 V C -0.291 175.905 176.094 0.170 0.000 1.043 431 V CA -0.225 62.083 62.300 0.013 0.000 0.888 431 V CB 1.202 33.039 31.823 0.022 0.000 0.995 431 V HN 1.101 nan 8.190 nan 0.000 0.429 432 F N 0.249 120.035 119.950 -0.274 0.000 2.741 432 F HA 0.688 5.215 4.527 -0.000 0.000 0.311 432 F C -0.912 174.695 175.800 -0.322 0.000 1.149 432 F CA -0.987 56.896 58.000 -0.195 0.000 0.930 432 F CB 1.669 40.683 39.000 0.024 0.000 1.312 432 F HN 0.419 nan 8.300 nan 0.000 0.450 433 E N 1.305 121.506 120.200 0.002 0.000 2.175 433 E HA 0.393 4.743 4.350 -0.000 0.000 0.278 433 E C -1.561 175.236 176.600 0.328 0.000 0.969 433 E CA -0.800 55.623 56.400 0.039 0.000 0.796 433 E CB 1.854 31.625 29.700 0.118 0.000 1.104 433 E HN 0.642 nan 8.360 nan 0.000 0.395 434 Q N 3.478 123.391 119.800 0.189 0.000 2.292 434 Q HA 0.226 4.566 4.340 -0.000 0.000 0.270 434 Q C -1.413 174.684 176.000 0.161 0.000 1.024 434 Q CA -0.621 55.331 55.803 0.249 0.000 0.768 434 Q CB 1.146 30.065 28.738 0.302 0.000 1.250 434 Q HN 0.484 nan 8.270 nan 0.000 0.447 435 N N 2.399 121.188 118.700 0.147 0.000 2.475 435 N HA 0.018 4.758 4.740 -0.000 0.000 0.267 435 N C 0.421 175.993 175.510 0.103 0.000 1.169 435 N CA 0.134 53.252 53.050 0.113 0.000 0.947 435 N CB 0.751 39.290 38.487 0.086 0.000 1.061 435 N HN 0.615 nan 8.380 nan 0.000 0.466 436 Q N 2.654 122.514 119.800 0.100 0.000 2.402 436 Q HA 0.122 4.462 4.340 -0.000 0.000 0.206 436 Q C 1.205 177.249 176.000 0.073 0.000 0.919 436 Q CA 0.809 56.666 55.803 0.091 0.000 0.923 436 Q CB 0.686 29.484 28.738 0.099 0.000 1.048 436 Q HN 0.990 nan 8.270 nan 0.000 0.515 437 G N 1.030 109.871 108.800 0.069 0.000 2.490 437 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.214 437 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.214 437 G C 0.244 175.179 174.900 0.057 0.000 1.151 437 G CA -0.074 45.060 45.100 0.057 0.000 0.684 437 G HN 0.265 nan 8.290 nan 0.000 0.518 438 L N 3.915 125.172 121.223 0.055 0.000 2.506 438 L HA 0.269 4.609 4.340 -0.000 0.000 0.281 438 L C -1.133 175.775 176.870 0.064 0.000 1.228 438 L CA -1.053 53.818 54.840 0.052 0.000 0.850 438 L CB 0.417 42.500 42.059 0.041 0.000 1.110 438 L HN 0.229 nan 8.230 nan 0.000 0.496 439 P HA -0.024 nan 4.420 nan 0.000 0.275 439 P C 0.314 177.645 177.300 0.052 0.000 1.227 439 P CA -0.402 62.743 63.100 0.075 0.000 0.781 439 P CB 1.179 32.933 31.700 0.090 0.000 0.906 440 L N 3.150 124.408 121.223 0.057 0.000 2.056 440 L HA -0.004 4.336 4.340 -0.000 0.000 0.207 440 L C 1.073 177.957 176.870 0.024 0.000 1.078 440 L CA 1.695 56.560 54.840 0.041 0.000 0.749 440 L CB -0.345 41.754 42.059 0.065 0.000 0.901 440 L HN 0.584 nan 8.230 nan 0.000 0.433 441 R N -0.586 119.933 120.500 0.032 0.000 2.663 441 R HA 0.588 4.928 4.340 -0.000 0.000 0.267 441 R C -1.173 175.129 176.300 0.003 0.000 1.038 441 R CA -0.911 55.199 56.100 0.015 0.000 0.886 441 R CB 0.990 31.297 30.300 0.013 0.000 1.249 441 R HN 0.068 nan 8.270 nan 0.000 0.463 442 R N 2.405 122.897 120.500 -0.013 0.000 2.644 442 R HA 0.260 4.600 4.340 -0.000 0.000 0.257 442 R C -2.220 174.063 176.300 -0.030 0.000 1.082 442 R CA -0.651 55.400 56.100 -0.082 0.000 0.927 442 R CB 1.853 32.146 30.300 -0.013 0.000 1.258 442 R HN 0.943 nan 8.270 nan 0.000 0.459 443 H N 2.074 120.976 119.070 -0.278 0.000 2.856 443 H HA 0.392 4.948 4.556 -0.000 0.000 0.355 443 H C -1.675 173.508 175.328 -0.242 0.000 1.079 443 H CA -0.416 55.532 56.048 -0.166 0.000 1.240 443 H CB 1.143 30.864 29.762 -0.068 0.000 1.701 443 H HN 0.552 nan 8.280 nan 0.000 0.527 444 H N 3.882 122.500 119.070 -0.754 0.000 2.638 444 H HA 0.378 4.934 4.556 -0.000 0.000 0.317 444 H C -1.017 173.815 175.328 -0.826 0.000 1.006 444 H CA -0.214 55.516 56.048 -0.530 0.000 1.222 444 H CB 1.224 30.908 29.762 -0.129 0.000 1.419 444 H HN 0.508 nan 8.280 nan 0.000 0.489 445 S N 3.833 119.043 115.700 -0.816 0.000 2.420 445 S HA 0.136 4.605 4.470 -0.000 0.000 0.313 445 S C 0.428 174.883 174.600 -0.242 0.000 1.079 445 S CA -0.633 57.202 58.200 -0.608 0.000 1.104 445 S CB 0.330 62.883 63.200 -1.079 0.000 0.969 445 S HN 0.638 nan 8.310 nan 0.000 0.471 446 D N 2.702 123.095 120.400 -0.012 0.000 2.349 446 D HA 0.129 4.769 4.640 -0.000 0.000 0.214 446 D C -0.201 176.069 176.300 -0.051 0.000 1.063 446 D CA 0.094 54.161 54.000 0.111 0.000 0.847 446 D CB 0.385 41.251 40.800 0.110 0.000 0.933 446 D HN 0.333 nan 8.370 nan 0.000 0.513 447 L N 0.311 121.460 121.223 -0.123 0.000 2.296 447 L HA 0.190 4.530 4.340 -0.000 0.000 0.286 447 L C 0.138 176.912 176.870 -0.160 0.000 1.023 447 L CA -0.316 54.381 54.840 -0.238 0.000 0.812 447 L CB 0.688 42.611 42.059 -0.227 0.000 1.223 447 L HN -0.073 nan 8.230 nan 0.000 0.421 448 Y N 1.172 121.428 120.300 -0.074 0.000 2.783 448 Y HA -0.367 4.183 4.550 -0.000 0.000 0.491 448 Y C 1.071 176.922 175.900 -0.082 0.000 1.044 448 Y CA 1.491 59.554 58.100 -0.062 0.000 3.046 448 Y CB -1.839 36.617 38.460 -0.006 0.000 0.862 448 Y HN 0.691 nan 8.280 nan 0.000 0.558 449 S N -0.180 115.606 115.700 0.144 0.000 2.500 449 S HA 0.528 4.998 4.470 -0.000 0.000 0.301 449 S C -1.064 173.608 174.600 0.120 0.000 1.092 449 S CA -0.631 57.667 58.200 0.164 0.000 1.030 449 S CB 0.735 64.147 63.200 0.354 0.000 1.031 449 S HN 0.274 nan 8.310 nan 0.000 0.483 450 H N 4.490 123.650 119.070 0.150 0.000 2.787 450 H HA 0.407 4.963 4.556 -0.000 0.000 0.275 450 H C -0.747 174.600 175.328 0.032 0.000 1.183 450 H CA -0.075 55.980 56.048 0.012 0.000 1.290 450 H CB -0.392 29.397 29.762 0.044 0.000 1.438 450 H HN 0.651 nan 8.280 nan 0.000 0.487 451 Y N 1.049 121.329 120.300 -0.033 0.000 2.689 451 Y HA 0.601 5.151 4.550 -0.000 0.000 0.333 451 Y C -1.787 173.862 175.900 -0.418 0.000 1.190 451 Y CA -1.796 56.157 58.100 -0.244 0.000 1.063 451 Y CB 1.715 40.048 38.460 -0.211 0.000 1.294 451 Y HN 0.193 nan 8.280 nan 0.000 0.466 452 F N 0.409 119.971 119.950 -0.647 0.000 2.581 452 F HA 0.823 5.350 4.527 -0.000 0.000 0.311 452 F C -0.885 174.576 175.800 -0.565 0.000 1.113 452 F CA -0.787 56.783 58.000 -0.717 0.000 0.935 452 F CB 2.425 40.781 39.000 -1.073 0.000 1.232 452 F HN 0.941 nan 8.300 nan 0.000 0.445 453 G N 2.894 111.079 108.800 -1.026 0.000 2.704 453 G HA2 0.575 4.535 3.960 -0.000 0.000 0.280 453 G HA3 0.575 4.535 3.960 -0.000 0.000 0.280 453 G C -1.223 173.311 174.900 -0.610 0.000 1.499 453 G CA -0.230 44.551 45.100 -0.533 0.000 1.146 453 G HN 1.109 nan 8.290 nan 0.000 0.558 454 G N -0.315 108.264 108.800 -0.370 0.000 2.921 454 G HA2 0.837 4.797 3.960 -0.000 0.000 0.291 454 G HA3 0.837 4.797 3.960 -0.000 0.000 0.291 454 G C -1.949 172.993 174.900 0.069 0.000 1.370 454 G CA -0.938 44.093 45.100 -0.115 0.000 0.847 454 G HN 1.477 nan 8.290 nan 0.000 0.532 455 L N -0.325 120.954 121.223 0.093 0.000 2.830 455 L HA 0.714 5.053 4.340 -0.000 0.000 0.259 455 L C -0.010 176.923 176.870 0.105 0.000 0.943 455 L CA -0.496 54.405 54.840 0.102 0.000 0.997 455 L CB 1.002 43.108 42.059 0.078 0.000 1.427 455 L HN 1.221 nan 8.230 nan 0.000 0.456 456 A N 3.528 126.417 122.820 0.115 0.000 2.477 456 A HA 0.370 4.690 4.320 -0.000 0.000 0.246 456 A C 0.217 177.864 177.584 0.104 0.000 1.078 456 A CA -0.015 52.086 52.037 0.105 0.000 0.770 456 A CB 0.077 19.137 19.000 0.101 0.000 1.011 456 A HN 0.788 nan 8.150 nan 0.000 0.494 457 E N 1.712 121.972 120.200 0.100 0.000 2.257 457 E HA 0.303 4.653 4.350 -0.000 0.000 0.278 457 E C -0.462 176.214 176.600 0.126 0.000 1.049 457 E CA 0.088 56.558 56.400 0.117 0.000 0.876 457 E CB 0.469 30.233 29.700 0.107 0.000 1.035 457 E HN 0.605 nan 8.360 nan 0.000 0.419 458 T N 3.047 117.686 114.554 0.142 0.000 2.912 458 T HA 0.503 4.853 4.350 -0.000 0.000 0.288 458 T C -1.282 173.506 174.700 0.148 0.000 1.030 458 T CA -0.559 61.623 62.100 0.137 0.000 1.020 458 T CB 1.703 70.650 68.868 0.132 0.000 1.056 458 T HN 0.285 nan 8.240 nan 0.000 0.480 459 V N 2.843 122.814 119.914 0.095 0.000 2.925 459 V HA 0.660 4.780 4.120 -0.000 0.000 0.311 459 V C -1.413 174.607 176.094 -0.122 0.000 1.104 459 V CA -0.884 61.432 62.300 0.027 0.000 0.954 459 V CB 2.221 34.065 31.823 0.035 0.000 1.022 459 V HN 0.723 nan 8.190 nan 0.000 0.427 460 L N 6.438 127.556 121.223 -0.174 0.000 2.309 460 L HA 0.839 5.179 4.340 -0.000 0.000 0.282 460 L C -0.810 175.833 176.870 -0.378 0.000 1.036 460 L CA 0.193 54.856 54.840 -0.295 0.000 0.806 460 L CB 1.673 43.623 42.059 -0.182 0.000 1.220 460 L HN 0.453 nan 8.230 nan 0.000 0.429 461 V N 4.879 124.431 119.914 -0.604 0.000 2.841 461 V HA 0.716 4.836 4.120 -0.000 0.000 0.310 461 V C -0.921 174.868 176.094 -0.509 0.000 1.090 461 V CA -0.747 61.141 62.300 -0.687 0.000 0.930 461 V CB 2.144 33.209 31.823 -1.263 0.000 1.014 461 V HN 0.533 nan 8.190 nan 0.000 0.425 462 V N 3.258 122.986 119.914 -0.310 0.000 2.686 462 V HA 0.723 4.843 4.120 -0.000 0.000 0.306 462 V C -0.468 175.586 176.094 -0.067 0.000 1.065 462 V CA -0.744 61.450 62.300 -0.177 0.000 0.894 462 V CB 2.006 33.720 31.823 -0.183 0.000 1.004 462 V HN 0.940 nan 8.190 nan 0.000 0.424 463 R N 2.254 122.784 120.500 0.051 0.000 2.564 463 R HA 0.750 5.090 4.340 -0.000 0.000 0.284 463 R C -0.912 175.467 176.300 0.130 0.000 1.031 463 R CA -0.114 56.054 56.100 0.113 0.000 0.904 463 R CB 2.277 32.667 30.300 0.151 0.000 1.199 463 R HN 0.963 nan 8.270 nan 0.000 0.443 464 S N 3.642 119.417 115.700 0.125 0.000 2.634 464 S HA 0.657 5.127 4.470 -0.000 0.000 0.296 464 S C -0.545 174.116 174.600 0.103 0.000 1.104 464 S CA -1.029 57.178 58.200 0.012 0.000 0.920 464 S CB 2.138 65.255 63.200 -0.138 0.000 1.111 464 S HN 0.538 nan 8.310 nan 0.000 0.493 465 M N 1.771 121.390 119.600 0.031 0.000 2.263 465 M HA 0.382 4.862 4.480 -0.000 0.000 0.295 465 M C -1.125 175.214 176.300 0.065 0.000 1.028 465 M CA -0.316 55.012 55.300 0.046 0.000 0.921 465 M CB 2.433 35.030 32.600 -0.006 0.000 1.601 465 M HN 0.645 nan 8.290 nan 0.000 0.440 466 S N 1.671 117.476 115.700 0.175 0.000 2.422 466 S HA 0.363 4.833 4.470 -0.000 0.000 0.298 466 S C -0.221 174.427 174.600 0.080 0.000 1.118 466 S CA -0.495 57.822 58.200 0.196 0.000 1.083 466 S CB 0.711 64.182 63.200 0.451 0.000 0.971 466 S HN 0.577 nan 8.310 nan 0.000 0.478 467 T N 4.703 119.295 114.554 0.063 0.000 2.910 467 T HA 0.295 4.645 4.350 -0.000 0.000 0.323 467 T C 0.044 174.770 174.700 0.042 0.000 1.091 467 T CA -0.303 61.799 62.100 0.003 0.000 0.960 467 T CB -0.266 68.630 68.868 0.047 0.000 1.024 467 T HN 0.395 nan 8.240 nan 0.000 0.509 468 L N 6.143 127.260 121.223 -0.176 0.000 2.358 468 L HA 0.321 4.661 4.340 -0.000 0.000 0.274 468 L C 0.903 177.540 176.870 -0.389 0.000 1.136 468 L CA -0.121 54.495 54.840 -0.373 0.000 0.970 468 L CB -0.468 41.307 42.059 -0.474 0.000 1.314 468 L HN 0.729 nan 8.230 nan 0.000 0.427 469 L N 0.564 121.686 121.223 -0.169 0.000 4.565 469 L HA -0.427 3.913 4.340 -0.000 0.000 0.053 469 L C 0.656 177.392 176.870 -0.224 0.000 3.654 469 L CA 1.718 56.535 54.840 -0.039 0.000 1.224 469 L CB -1.262 40.744 42.059 -0.089 0.000 3.186 469 L HN 0.805 nan 8.230 nan 0.000 0.916 473 Y N 0.421 120.617 120.300 -0.173 0.000 2.465 473 Y HA 0.370 4.920 4.550 -0.000 0.000 0.331 473 Y C 0.776 176.340 175.900 -0.560 0.000 1.102 473 Y CA -0.582 57.274 58.100 -0.406 0.000 1.358 473 Y CB 0.595 38.709 38.460 -0.577 0.000 1.213 473 Y HN 0.089 nan 8.280 nan 0.000 0.525 474 V N 4.297 124.028 119.914 -0.305 0.000 2.370 474 V HA 0.245 4.365 4.120 -0.000 0.000 0.279 474 V C -0.818 175.127 176.094 -0.248 0.000 1.029 474 V CA -1.209 60.965 62.300 -0.210 0.000 0.870 474 V CB 0.335 32.159 31.823 0.000 0.000 0.984 474 V HN 0.698 nan 8.190 nan 0.000 0.451 475 W N 2.758 124.157 121.300 0.164 0.000 2.417 475 W HA 0.636 5.296 4.660 -0.000 0.000 0.315 475 W C -0.348 176.191 176.519 0.033 0.000 1.045 475 W CA -0.510 56.895 57.345 0.100 0.000 1.221 475 W CB 1.284 30.760 29.460 0.027 0.000 1.309 475 W HN 0.381 nan 8.180 nan 0.000 0.453 476 D N 1.490 122.002 120.400 0.187 0.000 2.481 476 D HA 0.501 5.141 4.640 -0.000 0.000 0.244 476 D C -0.822 175.357 176.300 -0.201 0.000 1.057 476 D CA -0.487 53.511 54.000 -0.004 0.000 0.848 476 D CB 2.320 43.125 40.800 0.008 0.000 1.388 476 D HN 0.066 nan 8.370 nan 0.000 0.475 477 T N 0.864 115.220 114.554 -0.330 0.000 2.906 477 T HA 0.444 4.794 4.350 -0.000 0.000 0.302 477 T C -0.901 173.324 174.700 -0.791 0.000 1.002 477 T CA -0.603 61.131 62.100 -0.611 0.000 0.988 477 T CB 1.157 69.696 68.868 -0.549 0.000 0.972 477 T HN 0.162 nan 8.240 nan 0.000 0.447 478 V N 4.084 123.428 119.914 -0.950 0.000 2.540 478 V HA 0.785 4.905 4.120 -0.000 0.000 0.302 478 V C -1.753 173.626 176.094 -1.192 0.000 1.035 478 V CA -0.925 60.841 62.300 -0.891 0.000 0.873 478 V CB 1.325 32.788 31.823 -0.599 0.000 0.992 478 V HN 0.818 nan 8.190 nan 0.000 0.428 479 F N 6.351 125.772 119.950 -0.882 0.000 2.359 479 F HA 0.566 5.093 4.527 -0.000 0.000 0.369 479 F C 0.661 176.127 175.800 -0.557 0.000 1.084 479 F CA -0.587 56.788 58.000 -1.042 0.000 1.096 479 F CB 0.685 38.830 39.000 -1.425 0.000 1.335 479 F HN 0.583 nan 8.300 nan 0.000 0.457 480 H N 3.815 122.942 119.070 0.095 0.000 2.690 480 H HA 0.111 4.667 4.556 -0.000 0.000 0.365 480 H C -1.620 174.036 175.328 0.547 0.000 1.142 480 H CA -1.783 54.425 56.048 0.268 0.000 1.417 480 H CB 0.779 30.655 29.762 0.190 0.000 1.446 480 H HN 0.314 nan 8.280 nan 0.000 0.599 481 P HA -0.065 nan 4.420 nan 0.000 0.245 481 P C 1.035 178.557 177.300 0.371 0.000 1.212 481 P CA 0.663 64.059 63.100 0.493 0.000 0.774 481 P CB 0.178 32.072 31.700 0.323 0.000 0.999 482 S N -1.269 114.596 115.700 0.277 0.000 2.558 482 S HA 0.282 4.752 4.470 -0.000 0.000 0.217 482 S C 1.588 176.144 174.600 -0.073 0.000 0.975 482 S CA 0.670 58.934 58.200 0.106 0.000 0.912 482 S CB -1.050 62.208 63.200 0.096 0.000 0.776 482 S HN 0.263 nan 8.310 nan 0.000 0.526 483 G N 0.304 109.010 108.800 -0.158 0.000 2.144 483 G HA2 0.016 3.976 3.960 -0.000 0.000 0.218 483 G HA3 0.016 3.976 3.960 -0.000 0.000 0.218 483 G C 0.139 175.218 174.900 0.297 0.000 0.988 483 G CA -0.144 44.655 45.100 -0.501 0.000 0.659 483 G HN 1.202 nan 8.290 nan 0.000 0.522 484 A N -0.178 122.893 122.820 0.418 0.000 2.293 484 A HA 0.870 5.190 4.320 -0.000 0.000 0.302 484 A C 0.048 177.817 177.584 0.309 0.000 1.119 484 A CA -0.392 51.895 52.037 0.417 0.000 0.823 484 A CB 0.751 19.989 19.000 0.397 0.000 1.097 484 A HN 0.794 nan 8.150 nan 0.000 0.491 485 I N 1.121 121.765 120.570 0.124 0.000 2.447 485 I HA 0.305 4.475 4.170 -0.000 0.000 0.287 485 I C -0.237 175.654 176.117 -0.377 0.000 1.023 485 I CA -0.168 60.931 61.300 -0.335 0.000 1.083 485 I CB 1.853 39.650 38.000 -0.337 0.000 1.245 485 I HN 0.824 nan 8.210 nan 0.000 0.434 486 E N 6.770 126.580 120.200 -0.650 0.000 2.151 486 E HA 0.467 4.817 4.350 -0.000 0.000 0.275 486 E C -1.250 174.780 176.600 -0.949 0.000 0.936 486 E CA -0.733 55.130 56.400 -0.894 0.000 0.777 486 E CB 1.452 30.650 29.700 -0.836 0.000 1.108 486 E HN 0.341 nan 8.360 nan 0.000 0.401 487 I N 4.097 123.963 120.570 -1.173 0.000 2.412 487 I HA 0.461 4.631 4.170 -0.000 0.000 0.296 487 I C 0.041 175.620 176.117 -0.897 0.000 0.987 487 I CA -0.734 59.885 61.300 -1.136 0.000 1.180 487 I CB 1.126 38.055 38.000 -1.786 0.000 1.340 487 I HN 0.526 nan 8.210 nan 0.000 0.455 488 R N 4.952 125.141 120.500 -0.519 0.000 2.725 488 R HA 0.591 4.931 4.340 -0.000 0.000 0.277 488 R C -1.587 174.706 176.300 -0.011 0.000 0.987 488 R CA -0.846 55.060 56.100 -0.322 0.000 0.901 488 R CB 2.323 32.478 30.300 -0.242 0.000 1.207 488 R HN 0.409 nan 8.270 nan 0.000 0.463 489 F N 2.837 122.589 119.950 -0.330 0.000 2.653 489 F HA 0.487 5.014 4.527 -0.000 0.000 0.327 489 F C -1.988 173.539 175.800 -0.455 0.000 1.195 489 F CA -1.181 56.698 58.000 -0.202 0.000 0.993 489 F CB 0.719 39.819 39.000 0.166 0.000 1.259 489 F HN 0.427 nan 8.300 nan 0.000 0.478 490 Y N 3.784 124.000 120.300 -0.139 0.000 2.487 490 Y HA 0.814 5.364 4.550 -0.000 0.000 0.337 490 Y C -0.067 175.724 175.900 -0.183 0.000 1.076 490 Y CA -1.018 56.924 58.100 -0.262 0.000 1.115 490 Y CB 2.156 40.515 38.460 -0.169 0.000 1.235 490 Y HN 0.835 nan 8.280 nan 0.000 0.468 491 A N 1.712 124.516 122.820 -0.026 0.000 2.319 491 A HA 0.762 5.082 4.320 -0.000 0.000 0.310 491 A C -0.195 177.368 177.584 -0.035 0.000 1.152 491 A CA -0.294 51.746 52.037 0.005 0.000 0.783 491 A CB 0.529 19.471 19.000 -0.095 0.000 1.184 491 A HN 0.779 nan 8.150 nan 0.000 0.474 492 T N -0.635 113.876 114.554 -0.072 0.000 2.604 492 T HA 0.936 5.286 4.350 -0.000 0.000 0.267 492 T C 0.705 175.323 174.700 -0.137 0.000 0.923 492 T CA 0.073 62.118 62.100 -0.092 0.000 1.077 492 T CB 0.867 69.676 68.868 -0.099 0.000 1.392 492 T HN 2.563 nan 8.240 nan 0.000 0.531 493 G N -0.142 108.562 108.800 -0.160 0.000 2.568 493 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.222 493 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.222 493 G C -1.056 173.696 174.900 -0.246 0.000 1.321 493 G CA -0.378 44.603 45.100 -0.199 0.000 0.893 493 G HN 0.954 nan 8.290 nan 0.000 0.569 494 Y N -0.374 119.780 120.300 -0.243 0.000 2.335 494 Y HA 0.617 5.167 4.550 -0.000 0.000 0.323 494 Y C 1.178 176.923 175.900 -0.259 0.000 1.224 494 Y CA -0.464 57.491 58.100 -0.242 0.000 1.241 494 Y CB 1.001 39.256 38.460 -0.342 0.000 1.235 494 Y HN 0.528 nan 8.280 nan 0.000 0.492 495 I N 0.685 121.291 120.570 0.060 0.000 2.532 495 I HA 0.102 4.272 4.170 -0.000 0.000 0.292 495 I C 0.342 176.463 176.117 0.006 0.000 1.014 495 I CA -0.000 61.338 61.300 0.064 0.000 1.340 495 I CB 1.172 39.250 38.000 0.130 0.000 1.422 495 I HN 0.409 nan 8.210 nan 0.000 0.528 496 S N 3.591 119.298 115.700 0.012 0.000 2.422 496 S HA 0.391 4.861 4.470 -0.000 0.000 0.283 496 S C -0.007 174.623 174.600 0.050 0.000 1.163 496 S CA -0.471 57.723 58.200 -0.010 0.000 1.054 496 S CB -0.263 62.849 63.200 -0.146 0.000 0.967 496 S HN 0.740 nan 8.310 nan 0.000 0.499 497 S N 4.197 119.955 115.700 0.097 0.000 2.621 497 S HA 0.905 5.375 4.470 -0.000 0.000 0.302 497 S C -0.195 174.411 174.600 0.010 0.000 1.093 497 S CA -0.664 57.586 58.200 0.084 0.000 1.017 497 S CB 1.699 64.965 63.200 0.110 0.000 1.077 497 S HN 0.895 nan 8.310 nan 0.000 0.517 498 A N 1.365 124.180 122.820 -0.008 0.000 2.313 498 A HA 0.771 5.091 4.320 -0.000 0.000 0.323 498 A C -0.779 176.911 177.584 0.176 0.000 1.133 498 A CA -0.868 51.144 52.037 -0.043 0.000 0.847 498 A CB 0.574 19.553 19.000 -0.036 0.000 1.308 498 A HN 1.054 nan 8.150 nan 0.000 0.475 499 F N 0.706 120.801 119.950 0.243 0.000 2.427 499 F HA 0.492 5.019 4.527 -0.000 0.000 0.352 499 F C -0.071 175.846 175.800 0.195 0.000 1.100 499 F CA -0.693 57.438 58.000 0.219 0.000 1.191 499 F CB 0.695 39.794 39.000 0.165 0.000 1.128 499 F HN 0.434 nan 8.300 nan 0.000 0.533 500 L N 7.933 128.794 121.223 -0.603 0.000 2.418 500 L HA 0.308 4.648 4.340 -0.000 0.000 0.274 500 L C -1.542 175.153 176.870 -0.292 0.000 1.135 500 L CA 0.367 54.995 54.840 -0.353 0.000 0.870 500 L CB -0.187 41.692 42.059 -0.299 0.000 1.154 500 L HN 0.614 nan 8.230 nan 0.000 0.462 501 F N 5.949 125.820 119.950 -0.132 0.000 2.991 501 F HA 0.568 5.095 4.527 -0.000 0.000 0.355 501 F C 0.378 176.215 175.800 0.062 0.000 1.262 501 F CA 0.447 58.457 58.000 0.016 0.000 1.127 501 F CB 0.778 39.911 39.000 0.222 0.000 1.447 501 F HN 0.821 nan 8.300 nan 0.000 0.584 502 G N 3.625 112.054 108.800 -0.619 0.000 2.552 502 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.267 502 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.267 502 G C 0.774 175.581 174.900 -0.154 0.000 1.174 502 G CA 0.014 44.815 45.100 -0.498 0.000 0.955 502 G HN 1.702 nan 8.290 nan 0.000 0.546 503 A N 0.604 123.408 122.820 -0.027 0.000 2.215 503 A HA 0.488 4.808 4.320 -0.000 0.000 0.208 503 A C 1.345 179.006 177.584 0.128 0.000 1.296 503 A CA 1.995 54.069 52.037 0.061 0.000 0.918 503 A CB -1.101 17.982 19.000 0.139 0.000 0.806 503 A HN 1.548 nan 8.150 nan 0.000 0.490 504 T N -0.701 113.912 114.554 0.099 0.000 2.882 504 T HA 0.274 4.624 4.350 -0.000 0.000 0.330 504 T C 1.625 176.353 174.700 0.048 0.000 1.075 504 T CA 1.922 64.087 62.100 0.107 0.000 1.129 504 T CB 0.230 69.115 68.868 0.029 0.000 1.071 504 T HN 1.527 nan 8.240 nan 0.000 0.531 505 G N 2.312 111.132 108.800 0.033 0.000 2.397 505 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.211 505 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.211 505 G C 1.012 175.839 174.900 -0.121 0.000 1.077 505 G CA 0.464 45.542 45.100 -0.036 0.000 0.649 505 G HN 0.639 nan 8.290 nan 0.000 0.511 506 K N -0.280 119.972 120.400 -0.247 0.000 2.515 506 K HA 0.167 4.487 4.320 -0.000 0.000 0.196 506 K C 0.880 177.095 176.600 -0.641 0.000 1.038 506 K CA 1.092 57.067 56.287 -0.519 0.000 0.967 506 K CB -0.084 31.960 32.500 -0.760 0.000 0.780 506 K HN 0.654 nan 8.250 nan 0.000 0.483 507 Y N -1.255 119.036 120.300 -0.016 0.000 2.672 507 Y HA 0.209 4.759 4.550 -0.000 0.000 0.252 507 Y C 0.668 176.557 175.900 -0.018 0.000 1.132 507 Y CA -0.415 57.677 58.100 -0.013 0.000 1.228 507 Y CB 1.911 40.373 38.460 0.003 0.000 1.310 507 Y HN 0.054 nan 8.280 nan 0.000 0.549 508 G N 0.310 109.154 108.800 0.073 0.000 2.340 508 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.282 508 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.282 508 G C -2.038 172.871 174.900 0.015 0.000 1.312 508 G CA -1.119 43.999 45.100 0.030 0.000 0.942 508 G HN -0.071 nan 8.290 nan 0.000 0.495 509 N N 0.580 119.286 118.700 0.011 0.000 2.284 509 N HA 0.409 5.149 4.740 -0.000 0.000 0.300 509 N C -0.347 175.172 175.510 0.015 0.000 1.047 509 N CA -0.569 52.489 53.050 0.013 0.000 0.821 509 N CB 2.200 40.701 38.487 0.023 0.000 1.337 509 N HN 0.722 nan 8.380 nan 0.000 0.482 510 Q N 1.084 120.886 119.800 0.002 0.000 2.337 510 Q HA 0.127 4.467 4.340 -0.000 0.000 0.270 510 Q C -0.185 175.818 176.000 0.004 0.000 1.002 510 Q CA 0.333 56.129 55.803 -0.010 0.000 0.888 510 Q CB 0.947 29.665 28.738 -0.033 0.000 1.222 510 Q HN 0.452 nan 8.270 nan 0.000 0.400 511 V N 2.090 122.005 119.914 0.002 0.000 3.332 511 V HA 0.104 4.224 4.120 -0.000 0.000 0.263 511 V C -0.427 175.669 176.094 0.004 0.000 1.562 511 V CA 1.036 63.345 62.300 0.016 0.000 1.040 511 V CB 1.277 33.120 31.823 0.033 0.000 0.857 511 V HN 0.904 nan 8.190 nan 0.000 0.428 512 S N -0.812 114.879 115.700 -0.013 0.000 2.752 512 S HA 0.496 4.966 4.470 -0.000 0.000 0.284 512 S C -1.244 173.351 174.600 -0.010 0.000 1.189 512 S CA -0.875 57.321 58.200 -0.007 0.000 0.835 512 S CB 1.416 64.587 63.200 -0.049 0.000 1.192 512 S HN 0.189 nan 8.310 nan 0.000 0.506 513 E N 1.232 121.458 120.200 0.044 0.000 2.376 513 E HA 0.117 4.467 4.350 -0.000 0.000 0.266 513 E C -0.100 176.530 176.600 0.049 0.000 1.009 513 E CA 0.036 56.442 56.400 0.009 0.000 0.902 513 E CB -0.290 29.501 29.700 0.152 0.000 0.972 513 E HN 0.770 nan 8.360 nan 0.000 0.439 514 H N -0.420 118.632 119.070 -0.029 0.000 3.211 514 H HA -0.125 4.431 4.556 -0.000 0.000 0.240 514 H C -0.512 174.706 175.328 -0.182 0.000 1.148 514 H CA 1.366 57.328 56.048 -0.142 0.000 1.160 514 H CB -1.600 28.168 29.762 0.011 0.000 1.232 514 H HN 0.374 nan 8.280 nan 0.000 0.321 515 T N 1.697 116.223 114.554 -0.046 0.000 2.847 515 T HA 0.455 4.805 4.350 -0.000 0.000 0.291 515 T C 0.129 174.813 174.700 -0.027 0.000 0.998 515 T CA -0.687 61.396 62.100 -0.029 0.000 0.967 515 T CB 2.112 70.950 68.868 -0.048 0.000 0.954 515 T HN 0.146 nan 8.240 nan 0.000 0.441 516 L N 3.318 124.538 121.223 -0.005 0.000 2.312 516 L HA 0.757 5.097 4.340 -0.000 0.000 0.281 516 L C 0.520 177.411 176.870 0.036 0.000 1.070 516 L CA -0.034 54.815 54.840 0.014 0.000 0.805 516 L CB 0.813 42.890 42.059 0.030 0.000 1.174 516 L HN 0.717 nan 8.230 nan 0.000 0.434 517 G N 3.135 111.959 108.800 0.039 0.000 2.457 517 G HA2 0.403 4.363 3.960 -0.000 0.000 0.316 517 G HA3 0.403 4.363 3.960 -0.000 0.000 0.316 517 G C -0.203 174.729 174.900 0.054 0.000 1.030 517 G CA -0.216 44.914 45.100 0.050 0.000 1.073 517 G HN 0.769 nan 8.290 nan 0.000 0.430 518 T N 0.356 114.978 114.554 0.114 0.000 2.870 518 T HA 0.226 4.576 4.350 -0.000 0.000 0.300 518 T C 0.762 175.540 174.700 0.130 0.000 0.989 518 T CA -0.645 61.548 62.100 0.155 0.000 1.139 518 T CB 2.059 71.062 68.868 0.225 0.000 0.920 518 T HN 0.407 nan 8.240 nan 0.000 0.537 519 V N 5.622 125.550 119.914 0.024 0.000 2.788 519 V HA 0.235 4.355 4.120 -0.000 0.000 0.307 519 V C 0.172 176.167 176.094 -0.165 0.000 1.069 519 V CA 0.466 62.684 62.300 -0.137 0.000 1.173 519 V CB -0.462 31.322 31.823 -0.065 0.000 0.925 519 V HN 1.163 nan 8.190 nan 0.000 0.492 520 H N 2.429 121.276 119.070 -0.372 0.000 3.024 520 H HA 0.456 5.012 4.556 -0.000 0.000 0.324 520 H C -1.021 173.996 175.328 -0.518 0.000 1.347 520 H CA -0.342 55.334 56.048 -0.620 0.000 1.182 520 H CB 1.439 30.400 29.762 -1.335 0.000 1.889 520 H HN 0.641 nan 8.280 nan 0.000 0.528 521 T N -0.462 113.874 114.554 -0.363 0.000 2.895 521 T HA 0.360 4.710 4.350 -0.000 0.000 0.283 521 T C -0.535 173.885 174.700 -0.467 0.000 1.014 521 T CA -0.813 61.078 62.100 -0.348 0.000 1.037 521 T CB 1.718 70.462 68.868 -0.207 0.000 1.006 521 T HN 0.611 nan 8.240 nan 0.000 0.468 522 H N 1.395 120.323 119.070 -0.238 0.000 2.459 522 H HA 0.640 5.195 4.556 -0.000 0.000 0.332 522 H C -0.331 174.990 175.328 -0.012 0.000 1.094 522 H CA -0.609 55.353 56.048 -0.143 0.000 1.224 522 H CB 1.727 31.269 29.762 -0.367 0.000 1.449 522 H HN 0.793 nan 8.280 nan 0.000 0.484 523 S N 1.260 117.091 115.700 0.219 0.000 2.569 523 S HA 0.843 5.313 4.470 -0.000 0.000 0.280 523 S C -0.620 174.224 174.600 0.407 0.000 1.111 523 S CA -0.947 57.458 58.200 0.342 0.000 0.887 523 S CB 2.617 65.968 63.200 0.251 0.000 1.095 523 S HN 0.807 nan 8.310 nan 0.000 0.476 524 A N 1.197 124.246 122.820 0.383 0.000 2.539 524 A HA 0.775 5.095 4.320 -0.000 0.000 0.296 524 A C -1.487 175.970 177.584 -0.211 0.000 1.073 524 A CA -0.574 51.416 52.037 -0.078 0.000 0.700 524 A CB 1.343 20.111 19.000 -0.387 0.000 1.296 524 A HN 0.915 nan 8.150 nan 0.000 0.405 525 H N 0.467 118.967 119.070 -0.950 0.000 2.572 525 H HA 0.693 5.249 4.556 -0.000 0.000 0.359 525 H C -1.782 172.945 175.328 -1.001 0.000 1.134 525 H CA -0.457 55.062 56.048 -0.881 0.000 1.187 525 H CB 1.232 30.134 29.762 -1.434 0.000 1.597 525 H HN 0.525 nan 8.280 nan 0.000 0.524 526 F N 2.225 121.904 119.950 -0.453 0.000 2.551 526 F HA 0.292 4.819 4.527 -0.000 0.000 0.316 526 F C 0.018 175.551 175.800 -0.444 0.000 1.089 526 F CA -0.875 56.923 58.000 -0.336 0.000 0.915 526 F CB 1.901 40.860 39.000 -0.069 0.000 1.186 526 F HN 0.244 nan 8.300 nan 0.000 0.456 527 K N 2.530 122.806 120.400 -0.207 0.000 2.211 527 K HA 0.679 4.999 4.320 -0.000 0.000 0.275 527 K C -1.590 174.793 176.600 -0.362 0.000 1.024 527 K CA -0.421 55.598 56.287 -0.445 0.000 0.887 527 K CB 1.210 33.443 32.500 -0.444 0.000 1.084 527 K HN 0.549 nan 8.250 nan 0.000 0.463 528 V N 3.999 123.638 119.914 -0.458 0.000 2.327 528 V HA 0.084 4.204 4.120 -0.000 0.000 0.272 528 V C -0.677 175.230 176.094 -0.312 0.000 1.019 528 V CA -0.926 61.183 62.300 -0.317 0.000 0.814 528 V CB 0.981 32.619 31.823 -0.308 0.000 1.040 528 V HN 0.755 nan 8.190 nan 0.000 0.440 529 D N 4.519 124.777 120.400 -0.236 0.000 2.563 529 D HA 0.294 4.934 4.640 -0.000 0.000 0.222 529 D C -0.005 176.261 176.300 -0.057 0.000 1.145 529 D CA -0.036 53.876 54.000 -0.146 0.000 1.001 529 D CB 0.381 41.144 40.800 -0.063 0.000 1.049 529 D HN 0.422 nan 8.370 nan 0.000 0.515 530 L N 2.287 123.465 121.223 -0.074 0.000 2.416 530 L HA 0.178 4.518 4.340 -0.000 0.000 0.272 530 L C 0.305 177.178 176.870 0.004 0.000 1.161 530 L CA 0.170 54.986 54.840 -0.040 0.000 0.845 530 L CB 0.737 42.777 42.059 -0.033 0.000 1.119 530 L HN 0.129 nan 8.230 nan 0.000 0.464 531 D N 2.606 123.025 120.400 0.033 0.000 2.517 531 D HA 0.186 4.826 4.640 -0.000 0.000 0.301 531 D C -0.610 175.757 176.300 0.112 0.000 1.202 531 D CA -0.144 53.900 54.000 0.073 0.000 0.910 531 D CB 1.120 41.980 40.800 0.099 0.000 1.021 531 D HN 0.003 nan 8.370 nan 0.000 0.499 532 V N 1.537 121.538 119.914 0.145 0.000 2.397 532 V HA 0.300 4.420 4.120 -0.000 0.000 0.262 532 V C 1.093 177.383 176.094 0.325 0.000 1.047 532 V CA -0.136 62.318 62.300 0.255 0.000 1.003 532 V CB 0.217 32.235 31.823 0.324 0.000 1.037 532 V HN 0.709 nan 8.190 nan 0.000 0.480 533 A N 4.068 127.122 122.820 0.391 0.000 2.745 533 A HA 0.138 4.458 4.320 -0.000 0.000 0.296 533 A C 1.089 178.816 177.584 0.238 0.000 1.500 533 A CA 1.177 53.397 52.037 0.306 0.000 0.766 533 A CB -1.513 17.662 19.000 0.290 0.000 1.030 533 A HN 2.677 nan 8.150 nan 0.000 0.489 534 G N -2.736 106.177 108.800 0.189 0.000 2.479 534 G HA2 0.175 4.135 3.960 -0.000 0.000 0.686 534 G HA3 0.175 4.135 3.960 -0.000 0.000 0.686 534 G C 0.269 175.228 174.900 0.099 0.000 1.295 534 G CA -0.333 44.848 45.100 0.136 0.000 0.922 534 G HN 0.986 nan 8.290 nan 0.000 0.582 535 L N -0.150 121.107 121.223 0.056 0.000 2.072 535 L HA 0.102 4.442 4.340 -0.000 0.000 0.205 535 L C 1.422 178.283 176.870 -0.016 0.000 1.079 535 L CA 1.171 56.019 54.840 0.014 0.000 0.752 535 L CB -0.490 41.560 42.059 -0.015 0.000 0.906 535 L HN 0.587 nan 8.230 nan 0.000 0.436 536 E N 1.694 121.880 120.200 -0.022 0.000 2.220 536 E HA 0.105 4.455 4.350 -0.000 0.000 0.272 536 E C -0.611 175.972 176.600 -0.029 0.000 1.099 536 E CA 0.230 56.564 56.400 -0.109 0.000 0.907 536 E CB 0.204 29.844 29.700 -0.100 0.000 1.022 536 E HN 0.133 nan 8.360 nan 0.000 0.428 537 N N 2.371 120.985 118.700 -0.143 0.000 2.265 537 N HA 0.427 5.167 4.740 -0.000 0.000 0.300 537 N C -0.940 174.525 175.510 -0.076 0.000 1.148 537 N CA -0.568 52.529 53.050 0.079 0.000 0.772 537 N CB 1.237 39.778 38.487 0.090 0.000 1.434 537 N HN 0.348 nan 8.380 nan 0.000 0.481 538 W N 0.147 121.479 121.300 0.054 0.000 2.850 538 W HA 0.568 5.228 4.660 -0.000 0.000 0.349 538 W C -0.420 176.079 176.519 -0.033 0.000 1.133 538 W CA -0.858 56.471 57.345 -0.027 0.000 1.117 538 W CB 1.670 31.084 29.460 -0.077 0.000 1.442 538 W HN 0.086 nan 8.180 nan 0.000 0.575 539 V N 1.173 121.134 119.914 0.078 0.000 2.555 539 V HA 0.574 4.694 4.120 -0.000 0.000 0.302 539 V C -1.834 174.140 176.094 -0.200 0.000 1.038 539 V CA -0.605 61.695 62.300 0.001 0.000 0.887 539 V CB 1.397 33.241 31.823 0.035 0.000 0.991 539 V HN 0.544 nan 8.190 nan 0.000 0.434 540 W N 3.932 125.074 121.300 -0.263 0.000 2.632 540 W HA 0.802 5.462 4.660 -0.000 0.000 0.328 540 W C -0.001 176.388 176.519 -0.216 0.000 1.044 540 W CA -0.554 56.601 57.345 -0.317 0.000 1.225 540 W CB 2.345 31.378 29.460 -0.712 0.000 1.396 540 W HN 0.832 nan 8.180 nan 0.000 0.499 541 A N 3.204 126.150 122.820 0.210 0.000 2.394 541 A HA 0.537 4.857 4.320 -0.000 0.000 0.333 541 A C -0.645 177.083 177.584 0.239 0.000 1.397 541 A CA -0.550 51.609 52.037 0.203 0.000 0.884 541 A CB 0.232 19.340 19.000 0.180 0.000 1.147 541 A HN 0.658 nan 8.150 nan 0.000 0.505 542 E N 1.411 121.765 120.200 0.257 0.000 2.266 542 E HA 0.469 4.819 4.350 -0.000 0.000 0.277 542 E C -0.632 176.031 176.600 0.104 0.000 1.018 542 E CA -0.305 56.200 56.400 0.175 0.000 0.840 542 E CB 1.421 31.209 29.700 0.148 0.000 1.082 542 E HN 0.733 nan 8.360 nan 0.000 0.395 543 D N 0.850 121.268 120.400 0.029 0.000 3.557 543 D HA 0.436 5.076 4.640 -0.000 0.000 0.331 543 D C -1.466 174.801 176.300 -0.055 0.000 1.442 543 D CA -0.365 53.639 54.000 0.007 0.000 0.971 543 D CB 1.110 41.934 40.800 0.041 0.000 1.423 543 D HN 0.389 nan 8.370 nan 0.000 0.604 544 M N -0.241 119.326 119.600 -0.055 0.000 2.644 544 M HA 0.719 5.199 4.480 -0.000 0.000 0.273 544 M C -1.777 174.451 176.300 -0.120 0.000 1.253 544 M CA -0.838 54.389 55.300 -0.122 0.000 0.852 544 M CB 2.692 35.191 32.600 -0.169 0.000 1.708 544 M HN 0.076 nan 8.290 nan 0.000 0.471 545 V N 0.921 120.708 119.914 -0.213 0.000 3.167 545 V HA 0.683 4.802 4.120 -0.000 0.000 0.293 545 V C -2.148 173.786 176.094 -0.267 0.000 1.379 545 V CA -0.579 61.638 62.300 -0.138 0.000 1.019 545 V CB 2.661 34.462 31.823 -0.036 0.000 1.115 545 V HN 0.855 nan 8.190 nan 0.000 0.442 546 F N 3.846 123.801 119.950 0.007 0.000 2.480 546 F HA 0.783 5.310 4.527 -0.000 0.000 0.329 546 F C -0.050 175.752 175.800 0.004 0.000 1.091 546 F CA -0.707 57.295 58.000 0.004 0.000 0.972 546 F CB 2.252 41.254 39.000 0.003 0.000 1.150 546 F HN 0.276 nan 8.300 nan 0.000 0.467 547 V N 3.686 123.722 119.914 0.203 0.000 2.447 547 V HA 0.327 4.447 4.120 -0.000 0.000 0.292 547 V C -2.460 173.690 176.094 0.093 0.000 1.021 547 V CA -2.274 60.092 62.300 0.109 0.000 0.850 547 V CB 1.466 33.327 31.823 0.063 0.000 1.005 547 V HN 0.495 nan 8.190 nan 0.000 0.426 548 P HA 0.255 nan 4.420 nan 0.000 0.262 548 P C -0.466 176.846 177.300 0.020 0.000 1.182 548 P CA 0.507 63.627 63.100 0.032 0.000 0.761 548 P CB 0.347 32.058 31.700 0.019 0.000 0.795 549 M N 1.480 121.083 119.600 0.005 0.000 2.520 549 M HA 0.480 4.960 4.480 -0.000 0.000 0.280 549 M C -0.746 175.534 176.300 -0.034 0.000 1.232 549 M CA -1.009 54.286 55.300 -0.008 0.000 0.892 549 M CB 2.655 35.254 32.600 -0.002 0.000 1.728 549 M HN 0.206 nan 8.290 nan 0.000 0.475 550 A N 2.000 124.794 122.820 -0.043 0.000 2.450 550 A HA 0.481 4.801 4.320 -0.000 0.000 0.255 550 A C -0.056 177.448 177.584 -0.134 0.000 1.096 550 A CA -0.397 51.596 52.037 -0.073 0.000 0.778 550 A CB 0.076 19.040 19.000 -0.061 0.000 1.031 550 A HN 0.608 nan 8.150 nan 0.000 0.494 551 V N 5.771 125.554 119.914 -0.218 0.000 2.557 551 V HA -0.007 4.113 4.120 -0.000 0.000 0.301 551 V C -1.206 174.640 176.094 -0.414 0.000 1.026 551 V CA -0.211 61.814 62.300 -0.458 0.000 1.137 551 V CB 0.715 32.100 31.823 -0.729 0.000 0.917 551 V HN 0.859 nan 8.190 nan 0.000 0.484 552 P HA -0.141 nan 4.420 nan 0.000 0.215 552 P C 1.076 178.387 177.300 0.018 0.000 1.157 552 P CA 1.668 64.741 63.100 -0.046 0.000 0.874 552 P CB 0.018 31.821 31.700 0.173 0.000 0.790 553 W N -1.865 119.453 121.300 0.030 0.000 3.400 553 W HA 0.553 5.212 4.660 -0.000 0.000 0.347 553 W C 0.083 176.629 176.519 0.044 0.000 1.218 553 W CA -0.150 57.213 57.345 0.030 0.000 1.837 553 W CB -0.377 29.098 29.460 0.025 0.000 1.067 553 W HN -0.159 nan 8.180 nan 0.000 0.701 554 S N 0.472 116.029 115.700 -0.238 0.000 2.730 554 S HA 0.207 4.677 4.470 -0.000 0.000 0.150 554 S C -1.932 172.586 174.600 -0.135 0.000 1.139 554 S CA -0.610 57.521 58.200 -0.115 0.000 1.155 554 S CB -0.086 63.095 63.200 -0.032 0.000 1.682 554 S HN -0.163 nan 8.310 nan 0.000 0.452 555 P HA -0.089 nan 4.420 nan 0.000 0.222 555 P C 1.296 178.538 177.300 -0.097 0.000 1.142 555 P CA 0.813 63.854 63.100 -0.098 0.000 0.788 555 P CB 0.192 31.856 31.700 -0.060 0.000 0.767 556 E N -0.855 119.266 120.200 -0.132 0.000 2.233 556 E HA -0.194 4.156 4.350 -0.000 0.000 0.199 556 E C 0.144 176.621 176.600 -0.204 0.000 1.004 556 E CA 1.222 57.506 56.400 -0.194 0.000 0.819 556 E CB -0.528 28.988 29.700 -0.307 0.000 0.738 556 E HN 0.440 nan 8.360 nan 0.000 0.478 557 H N -0.716 118.289 119.070 -0.107 0.000 2.492 557 H HA 0.323 4.879 4.556 -0.000 0.000 0.345 557 H C -0.462 174.786 175.328 -0.132 0.000 1.136 557 H CA -0.914 55.064 56.048 -0.115 0.000 1.202 557 H CB 1.366 31.041 29.762 -0.146 0.000 1.524 557 H HN -0.022 nan 8.280 nan 0.000 0.506 558 Q N 3.323 123.153 119.800 0.051 0.000 2.226 558 Q HA 0.516 4.856 4.340 -0.000 0.000 0.256 558 Q C -1.470 174.499 176.000 -0.052 0.000 0.962 558 Q CA -1.034 54.758 55.803 -0.019 0.000 0.887 558 Q CB 1.540 30.271 28.738 -0.012 0.000 1.282 558 Q HN 0.619 nan 8.270 nan 0.000 0.449 559 L N 0.915 122.102 121.223 -0.060 0.000 2.409 559 L HA 0.510 4.850 4.340 -0.000 0.000 0.262 559 L C -1.433 175.432 176.870 -0.008 0.000 0.992 559 L CA -0.915 53.894 54.840 -0.051 0.000 0.817 559 L CB 2.374 44.389 42.059 -0.073 0.000 1.350 559 L HN 0.534 nan 8.230 nan 0.000 0.411 560 Q N 3.436 123.238 119.800 0.003 0.000 2.377 560 Q HA 0.287 4.627 4.340 -0.000 0.000 0.249 560 Q C -0.815 175.321 176.000 0.226 0.000 1.005 560 Q CA -0.282 55.551 55.803 0.051 0.000 0.912 560 Q CB 1.324 29.986 28.738 -0.128 0.000 1.223 560 Q HN 0.461 nan 8.270 nan 0.000 0.459 561 R N 2.729 123.369 120.500 0.233 0.000 2.221 561 R HA 0.282 4.622 4.340 -0.000 0.000 0.327 561 R C -1.093 175.297 176.300 0.150 0.000 1.033 561 R CA -0.582 55.625 56.100 0.178 0.000 0.887 561 R CB 0.128 30.480 30.300 0.088 0.000 1.057 561 R HN 0.401 nan 8.270 nan 0.000 0.455 562 L N 3.933 125.183 121.223 0.046 0.000 2.292 562 L HA 0.412 4.752 4.340 -0.000 0.000 0.284 562 L C -0.914 175.840 176.870 -0.194 0.000 1.065 562 L CA 0.561 55.237 54.840 -0.273 0.000 0.806 562 L CB 1.074 42.973 42.059 -0.267 0.000 1.175 562 L HN 0.704 nan 8.230 nan 0.000 0.431 563 Q N 3.656 123.307 119.800 -0.248 0.000 2.389 563 Q HA 0.502 4.842 4.340 -0.000 0.000 0.277 563 Q C -1.281 174.626 176.000 -0.156 0.000 1.082 563 Q CA -1.030 54.685 55.803 -0.147 0.000 0.810 563 Q CB 2.636 31.319 28.738 -0.090 0.000 1.374 563 Q HN 0.460 nan 8.270 nan 0.000 0.422 564 V N 0.916 120.761 119.914 -0.116 0.000 2.785 564 V HA 0.387 4.507 4.120 -0.000 0.000 0.300 564 V C 0.021 176.081 176.094 -0.058 0.000 1.062 564 V CA 0.050 62.286 62.300 -0.106 0.000 1.029 564 V CB 1.697 33.453 31.823 -0.112 0.000 1.024 564 V HN 0.762 nan 8.190 nan 0.000 0.477 565 T N 4.636 119.170 114.554 -0.033 0.000 2.906 565 T HA 0.475 4.825 4.350 -0.000 0.000 0.302 565 T C -0.603 174.139 174.700 0.069 0.000 1.002 565 T CA -0.590 61.521 62.100 0.018 0.000 0.988 565 T CB 0.393 69.271 68.868 0.016 0.000 0.972 565 T HN 0.663 nan 8.240 nan 0.000 0.447 566 R N 2.850 123.421 120.500 0.118 0.000 2.393 566 R HA 0.616 4.956 4.340 -0.000 0.000 0.315 566 R C -0.587 175.890 176.300 0.295 0.000 0.952 566 R CA -1.024 55.224 56.100 0.248 0.000 0.842 566 R CB 2.170 32.618 30.300 0.247 0.000 1.163 566 R HN 0.270 nan 8.270 nan 0.000 0.450 567 K N 3.256 123.818 120.400 0.270 0.000 2.324 567 K HA 0.309 4.629 4.320 -0.000 0.000 0.253 567 K C -1.236 175.345 176.600 -0.032 0.000 0.932 567 K CA -1.001 55.358 56.287 0.121 0.000 0.799 567 K CB 1.593 34.139 32.500 0.076 0.000 1.154 567 K HN 0.407 nan 8.250 nan 0.000 0.425 568 L N 5.873 126.893 121.223 -0.339 0.000 2.255 568 L HA 0.350 4.690 4.340 -0.000 0.000 0.289 568 L C -1.149 175.500 176.870 -0.368 0.000 1.046 568 L CA -0.182 54.187 54.840 -0.785 0.000 0.816 568 L CB 0.600 41.959 42.059 -1.165 0.000 1.197 568 L HN 0.554 nan 8.230 nan 0.000 0.427 569 L N 5.109 126.176 121.223 -0.261 0.000 2.361 569 L HA 0.195 4.535 4.340 -0.000 0.000 0.278 569 L C 0.957 177.764 176.870 -0.104 0.000 1.113 569 L CA 0.085 54.853 54.840 -0.121 0.000 0.849 569 L CB 0.741 42.770 42.059 -0.051 0.000 1.155 569 L HN 0.775 nan 8.230 nan 0.000 0.452 570 E N 2.450 122.603 120.200 -0.078 0.000 2.307 570 E HA 0.129 4.479 4.350 -0.000 0.000 0.195 570 E C -0.015 176.550 176.600 -0.059 0.000 0.975 570 E CA 0.584 56.951 56.400 -0.055 0.000 0.878 570 E CB 0.519 30.195 29.700 -0.040 0.000 0.845 570 E HN 0.437 nan 8.360 nan 0.000 0.488 571 M N 0.104 119.668 119.600 -0.060 0.000 2.465 571 M HA 0.246 4.726 4.480 -0.000 0.000 0.316 571 M C 0.557 176.818 176.300 -0.065 0.000 1.121 571 M CA -0.213 55.052 55.300 -0.059 0.000 0.934 571 M CB 1.606 34.175 32.600 -0.051 0.000 1.692 571 M HN -0.067 nan 8.290 nan 0.000 0.444 572 E N 1.085 121.249 120.200 -0.060 0.000 2.108 572 E HA -0.248 4.102 4.350 -0.000 0.000 0.203 572 E C 1.178 177.727 176.600 -0.085 0.000 1.022 572 E CA 1.858 58.222 56.400 -0.060 0.000 0.823 572 E CB 0.294 29.962 29.700 -0.053 0.000 0.744 572 E HN 0.564 nan 8.360 nan 0.000 0.456 573 E N 0.603 120.755 120.200 -0.080 0.000 2.118 573 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 573 E C 2.014 178.537 176.600 -0.129 0.000 0.992 573 E CA 1.133 57.482 56.400 -0.084 0.000 0.804 573 E CB -0.286 29.380 29.700 -0.056 0.000 0.741 573 E HN 0.483 nan 8.360 nan 0.000 0.458 574 Q N 0.139 119.862 119.800 -0.129 0.000 2.230 574 Q HA 0.047 4.387 4.340 -0.000 0.000 0.202 574 Q C 1.711 177.522 176.000 -0.315 0.000 0.963 574 Q CA 1.193 56.895 55.803 -0.168 0.000 0.866 574 Q CB 0.074 28.755 28.738 -0.095 0.000 0.931 574 Q HN 0.227 nan 8.270 nan 0.000 0.452 575 A N 0.265 122.932 122.820 -0.255 0.000 2.345 575 A HA 0.463 4.783 4.320 -0.000 0.000 0.225 575 A C 0.556 177.930 177.584 -0.351 0.000 1.243 575 A CA -0.034 51.849 52.037 -0.256 0.000 0.875 575 A CB 0.283 19.278 19.000 -0.007 0.000 0.929 575 A HN 0.205 nan 8.150 nan 0.000 0.502 576 A N 0.147 122.736 122.820 -0.385 0.000 2.252 576 A HA 0.669 4.989 4.320 -0.000 0.000 0.309 576 A C -0.916 176.527 177.584 -0.236 0.000 1.285 576 A CA -0.264 51.667 52.037 -0.177 0.000 0.900 576 A CB -0.316 18.627 19.000 -0.095 0.000 1.157 576 A HN 0.270 nan 8.150 nan 0.000 0.536 577 F N 2.839 122.949 119.950 0.268 0.000 2.402 577 F HA 0.403 4.930 4.527 -0.000 0.000 0.355 577 F C 0.269 176.229 175.800 0.267 0.000 1.123 577 F CA -0.394 57.740 58.000 0.224 0.000 1.021 577 F CB 1.442 40.541 39.000 0.164 0.000 1.160 577 F HN 0.391 nan 8.300 nan 0.000 0.451 578 L N 3.505 124.911 121.223 0.305 0.000 2.436 578 L HA 0.272 4.612 4.340 -0.000 0.000 0.265 578 L C 0.019 176.975 176.870 0.145 0.000 1.168 578 L CA -0.758 54.162 54.840 0.134 0.000 0.815 578 L CB 0.707 42.770 42.059 0.008 0.000 1.109 578 L HN 0.271 nan 8.230 nan 0.000 0.462 579 V N 2.716 122.678 119.914 0.081 0.000 2.599 579 V HA 0.184 4.304 4.120 -0.000 0.000 0.300 579 V C 1.129 177.255 176.094 0.054 0.000 1.034 579 V CA 1.607 63.953 62.300 0.077 0.000 1.115 579 V CB 0.300 32.153 31.823 0.049 0.000 0.934 579 V HN 1.123 nan 8.190 nan 0.000 0.485 580 G N 4.237 113.075 108.800 0.063 0.000 2.659 580 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.212 580 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.212 580 G C 0.509 175.448 174.900 0.064 0.000 1.226 580 G CA 0.055 45.185 45.100 0.051 0.000 0.739 580 G HN 0.781 nan 8.290 nan 0.000 0.528 581 S N 2.042 117.793 115.700 0.085 0.000 2.552 581 S HA 0.539 5.009 4.470 -0.000 0.000 0.289 581 S C 0.886 175.554 174.600 0.113 0.000 1.304 581 S CA 0.408 58.674 58.200 0.111 0.000 1.063 581 S CB 1.263 64.564 63.200 0.169 0.000 0.848 581 S HN 1.552 nan 8.310 nan 0.000 0.499 582 A N 2.405 125.281 122.820 0.093 0.000 2.280 582 A HA 0.696 5.016 4.320 -0.000 0.000 0.268 582 A C 0.526 178.146 177.584 0.060 0.000 1.111 582 A CA -0.315 51.758 52.037 0.061 0.000 0.814 582 A CB 0.472 19.503 19.000 0.052 0.000 1.093 582 A HN 0.797 nan 8.150 nan 0.000 0.498 583 T N -0.131 114.405 114.554 -0.030 0.000 3.159 583 T HA 0.539 4.889 4.350 -0.000 0.000 0.343 583 T C -3.139 171.442 174.700 -0.198 0.000 1.364 583 T CA -0.997 60.971 62.100 -0.220 0.000 1.102 583 T CB 0.919 69.592 68.868 -0.326 0.000 1.263 583 T HN 0.452 nan 8.240 nan 0.000 0.477 584 P HA 0.200 nan 4.420 nan 0.000 0.261 584 P C 0.852 178.128 177.300 -0.040 0.000 1.173 584 P CA -0.100 62.966 63.100 -0.057 0.000 0.760 584 P CB 0.482 32.174 31.700 -0.014 0.000 0.783 585 R N 1.608 122.130 120.500 0.038 0.000 2.096 585 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 585 R C 0.083 176.447 176.300 0.107 0.000 1.127 585 R CA 1.354 57.498 56.100 0.073 0.000 0.968 585 R CB -0.212 30.172 30.300 0.139 0.000 0.861 585 R HN 0.493 nan 8.270 nan 0.000 0.440 586 Y N 0.286 120.552 120.300 -0.057 0.000 2.345 586 Y HA 0.365 4.915 4.550 -0.000 0.000 0.331 586 Y C -0.609 175.309 175.900 0.031 0.000 0.959 586 Y CA -0.880 57.176 58.100 -0.074 0.000 1.204 586 Y CB 1.320 39.684 38.460 -0.159 0.000 1.135 586 Y HN -0.070 nan 8.280 nan 0.000 0.477 587 L N 6.855 128.140 121.223 0.103 0.000 2.349 587 L HA 0.654 4.994 4.340 -0.000 0.000 0.278 587 L C -1.625 175.382 176.870 0.228 0.000 0.996 587 L CA -0.719 54.205 54.840 0.140 0.000 0.825 587 L CB 0.973 43.050 42.059 0.031 0.000 1.243 587 L HN 0.573 nan 8.230 nan 0.000 0.412 588 Y N 3.373 123.752 120.300 0.132 0.000 2.544 588 Y HA 0.645 5.195 4.550 -0.000 0.000 0.342 588 Y C -1.818 174.243 175.900 0.268 0.000 1.062 588 Y CA -1.434 56.765 58.100 0.166 0.000 1.023 588 Y CB 1.030 39.574 38.460 0.140 0.000 1.308 588 Y HN 0.299 nan 8.280 nan 0.000 0.457 589 L N 3.527 124.950 121.223 0.334 0.000 2.334 589 L HA 0.896 5.236 4.340 -0.000 0.000 0.277 589 L C 0.087 177.227 176.870 0.449 0.000 1.075 589 L CA -0.675 54.339 54.840 0.290 0.000 0.804 589 L CB 1.418 43.603 42.059 0.209 0.000 1.174 589 L HN 1.030 nan 8.230 nan 0.000 0.438 590 A N 2.161 125.257 122.820 0.460 0.000 2.567 590 A HA 0.708 5.028 4.320 -0.000 0.000 0.289 590 A C -1.151 176.737 177.584 0.507 0.000 1.177 590 A CA -0.423 51.938 52.037 0.541 0.000 0.694 590 A CB 1.955 21.346 19.000 0.651 0.000 1.292 590 A HN 0.513 nan 8.150 nan 0.000 0.425 591 S N -0.810 115.145 115.700 0.426 0.000 2.568 591 S HA 0.381 4.851 4.470 -0.000 0.000 0.302 591 S C 0.897 175.603 174.600 0.176 0.000 1.082 591 S CA -0.512 57.896 58.200 0.347 0.000 1.009 591 S CB 1.340 64.701 63.200 0.268 0.000 1.069 591 S HN 0.712 nan 8.310 nan 0.000 0.500 592 N N 2.167 120.931 118.700 0.106 0.000 2.037 592 N HA -0.138 4.602 4.740 -0.000 0.000 0.196 592 N C 0.342 175.836 175.510 -0.028 0.000 1.034 592 N CA 1.600 54.571 53.050 -0.131 0.000 0.861 592 N CB -0.844 37.636 38.487 -0.011 0.000 1.039 592 N HN 0.684 nan 8.380 nan 0.000 0.427 593 H N -0.890 118.226 119.070 0.076 0.000 2.822 593 H HA 0.192 4.748 4.556 -0.000 0.000 0.373 593 H C 0.555 175.889 175.328 0.009 0.000 1.223 593 H CA 0.339 56.404 56.048 0.028 0.000 1.436 593 H CB 0.276 30.049 29.762 0.018 0.000 1.439 593 H HN 0.272 nan 8.280 nan 0.000 0.618 594 S N 0.851 116.613 115.700 0.104 0.000 2.588 594 S HA 0.348 4.818 4.470 -0.000 0.000 0.275 594 S C -0.102 174.445 174.600 -0.088 0.000 1.130 594 S CA -1.184 57.022 58.200 0.010 0.000 0.855 594 S CB 2.150 65.348 63.200 -0.002 0.000 1.116 594 S HN 0.756 nan 8.310 nan 0.000 0.472 595 N N 0.976 119.603 118.700 -0.122 0.000 2.322 595 N HA 0.207 4.947 4.740 -0.000 0.000 0.270 595 N C 0.768 176.070 175.510 -0.348 0.000 1.286 595 N CA -0.669 52.247 53.050 -0.222 0.000 0.948 595 N CB 0.131 38.516 38.487 -0.170 0.000 1.164 595 N HN 0.774 nan 8.380 nan 0.000 0.551 596 K N -0.607 119.440 120.400 -0.589 0.000 2.160 596 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 596 K C 0.795 176.889 176.600 -0.844 0.000 1.047 596 K CA 1.433 57.196 56.287 -0.873 0.000 0.930 596 K CB -0.176 31.529 32.500 -1.326 0.000 0.720 596 K HN 0.686 nan 8.250 nan 0.000 0.450 597 W N -0.423 120.762 121.300 -0.191 0.000 3.278 597 W HA 0.247 4.907 4.660 -0.000 0.000 0.308 597 W C 0.984 177.289 176.519 -0.357 0.000 1.253 597 W CA 0.046 57.229 57.345 -0.270 0.000 1.759 597 W CB 0.450 29.713 29.460 -0.328 0.000 1.093 597 W HN 0.239 nan 8.180 nan 0.000 0.648 598 G N 0.263 108.962 108.800 -0.167 0.000 2.134 598 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.209 598 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.209 598 G C -0.239 174.643 174.900 -0.030 0.000 0.993 598 G CA -0.543 44.492 45.100 -0.108 0.000 0.669 598 G HN 0.286 nan 8.290 nan 0.000 0.519 599 H N 0.886 119.935 119.070 -0.034 0.000 2.467 599 H HA 0.464 5.020 4.556 -0.000 0.000 0.331 599 H C -2.081 173.204 175.328 -0.072 0.000 1.120 599 H CA -2.131 53.866 56.048 -0.085 0.000 1.270 599 H CB 1.269 30.945 29.762 -0.142 0.000 1.466 599 H HN 0.131 nan 8.280 nan 0.000 0.504 600 P HA 0.009 nan 4.420 nan 0.000 0.265 600 P C -0.222 177.168 177.300 0.149 0.000 1.193 600 P CA 0.073 63.229 63.100 0.093 0.000 0.765 600 P CB 0.880 32.622 31.700 0.070 0.000 0.823 601 R N 1.779 122.386 120.500 0.179 0.000 2.316 601 R HA 0.489 4.829 4.340 -0.000 0.000 0.314 601 R C 0.857 177.410 176.300 0.420 0.000 1.069 601 R CA 0.065 56.299 56.100 0.224 0.000 0.959 601 R CB 0.437 30.811 30.300 0.124 0.000 0.987 601 R HN 0.597 nan 8.270 nan 0.000 0.446 602 G N 2.153 111.212 108.800 0.432 0.000 2.571 602 G HA2 0.457 4.417 3.960 -0.000 0.000 0.304 602 G HA3 0.457 4.417 3.960 -0.000 0.000 0.304 602 G C -1.780 173.345 174.900 0.374 0.000 1.314 602 G CA -0.372 45.038 45.100 0.517 0.000 0.975 602 G HN 0.383 nan 8.290 nan 0.000 0.485 603 Y N -0.000 120.460 120.300 0.266 0.000 2.429 603 Y HA 0.650 5.200 4.550 -0.000 0.000 0.342 603 Y C 0.457 176.483 175.900 0.210 0.000 1.004 603 Y CA -0.768 57.410 58.100 0.130 0.000 1.075 603 Y CB 2.501 40.958 38.460 -0.006 0.000 1.214 603 Y HN 0.613 nan 8.280 nan 0.000 0.455 604 R N 4.117 124.739 120.500 0.203 0.000 2.393 604 R HA 0.602 4.942 4.340 -0.000 0.000 0.315 604 R C -1.764 174.601 176.300 0.108 0.000 0.952 604 R CA -0.351 55.824 56.100 0.125 0.000 0.842 604 R CB 0.577 30.821 30.300 -0.094 0.000 1.163 604 R HN 0.730 nan 8.270 nan 0.000 0.450 605 I N 3.707 124.334 120.570 0.095 0.000 2.441 605 I HA 0.152 4.322 4.170 -0.000 0.000 0.287 605 I C -0.033 176.101 176.117 0.028 0.000 1.049 605 I CA 0.031 61.371 61.300 0.066 0.000 1.381 605 I CB 1.441 39.442 38.000 0.002 0.000 1.409 605 I HN 0.600 nan 8.210 nan 0.000 0.523 606 Q N 7.864 127.716 119.800 0.088 0.000 2.337 606 Q HA 0.442 4.782 4.340 -0.000 0.000 0.264 606 Q C -1.238 174.835 176.000 0.123 0.000 1.007 606 Q CA -0.645 55.185 55.803 0.045 0.000 0.727 606 Q CB 1.426 30.172 28.738 0.014 0.000 1.256 606 Q HN 0.634 nan 8.270 nan 0.000 0.467 607 M N 2.612 122.243 119.600 0.052 0.000 2.197 607 M HA 0.392 4.872 4.480 -0.000 0.000 0.305 607 M C -0.553 175.752 176.300 0.009 0.000 1.162 607 M CA -0.318 55.022 55.300 0.067 0.000 1.099 607 M CB 0.892 33.510 32.600 0.030 0.000 1.430 607 M HN 0.543 nan 8.290 nan 0.000 0.481 608 L N 0.897 122.102 121.223 -0.030 0.000 2.492 608 L HA 0.355 4.695 4.340 -0.000 0.000 0.259 608 L C -0.931 175.766 176.870 -0.288 0.000 1.229 608 L CA 0.016 54.752 54.840 -0.172 0.000 0.903 608 L CB 1.392 43.391 42.059 -0.101 0.000 1.114 608 L HN 0.601 nan 8.230 nan 0.000 0.494 609 S N 0.841 116.265 115.700 -0.460 0.000 2.549 609 S HA 0.713 5.182 4.470 -0.000 0.000 0.280 609 S C -0.758 173.465 174.600 -0.628 0.000 1.109 609 S CA -0.283 57.724 58.200 -0.321 0.000 0.905 609 S CB 1.045 64.219 63.200 -0.043 0.000 1.081 609 S HN 0.296 nan 8.310 nan 0.000 0.477 610 F N 1.969 121.994 119.950 0.124 0.000 2.818 610 F HA 0.471 4.998 4.527 -0.000 0.000 0.369 610 F C 0.899 176.783 175.800 0.140 0.000 1.327 610 F CA -0.696 57.367 58.000 0.105 0.000 1.211 610 F CB 0.093 39.135 39.000 0.069 0.000 1.036 610 F HN 0.639 nan 8.300 nan 0.000 0.510 611 A N 0.792 123.735 122.820 0.205 0.000 2.587 611 A HA 0.383 4.703 4.320 -0.000 0.000 0.233 611 A C 1.172 178.841 177.584 0.143 0.000 1.049 611 A CA 0.628 52.775 52.037 0.182 0.000 0.754 611 A CB -0.233 18.850 19.000 0.140 0.000 0.977 611 A HN 0.557 nan 8.150 nan 0.000 0.509 612 G N 0.814 109.674 108.800 0.101 0.000 2.636 612 G HA2 0.409 4.369 3.960 -0.000 0.000 0.246 612 G HA3 0.409 4.369 3.960 -0.000 0.000 0.246 612 G C 0.048 174.961 174.900 0.021 0.000 1.216 612 G CA -0.302 44.822 45.100 0.040 0.000 0.854 612 G HN 0.934 nan 8.290 nan 0.000 0.572 613 E N 0.560 120.762 120.200 0.003 0.000 2.415 613 E HA 0.174 4.524 4.350 -0.000 0.000 0.263 613 E C -1.829 174.754 176.600 -0.030 0.000 0.995 613 E CA -0.790 55.605 56.400 -0.008 0.000 0.915 613 E CB 0.539 30.233 29.700 -0.012 0.000 0.951 613 E HN 0.163 nan 8.360 nan 0.000 0.449 614 P HA 0.048 nan 4.420 nan 0.000 0.277 614 P C -0.890 176.386 177.300 -0.040 0.000 1.240 614 P CA -0.611 62.454 63.100 -0.059 0.000 0.798 614 P CB 0.492 32.148 31.700 -0.073 0.000 0.979 615 L N 4.319 125.526 121.223 -0.027 0.000 2.667 615 L HA 0.050 4.390 4.340 -0.000 0.000 0.278 615 L C -2.003 174.871 176.870 0.006 0.000 1.217 615 L CA -0.656 54.196 54.840 0.021 0.000 0.935 615 L CB -1.021 41.116 42.059 0.131 0.000 1.193 615 L HN 0.341 nan 8.230 nan 0.000 0.493 616 P HA -0.026 nan 4.420 nan 0.000 0.265 616 P C 0.222 177.509 177.300 -0.022 0.000 1.187 616 P CA 0.007 63.099 63.100 -0.013 0.000 0.766 616 P CB 0.484 32.182 31.700 -0.004 0.000 0.820 617 Q N 1.873 121.650 119.800 -0.039 0.000 2.112 617 Q HA -0.281 4.059 4.340 -0.000 0.000 0.206 617 Q C 1.711 177.692 176.000 -0.031 0.000 0.987 617 Q CA 1.856 57.630 55.803 -0.048 0.000 0.858 617 Q CB -0.364 28.343 28.738 -0.051 0.000 0.905 617 Q HN 0.493 nan 8.270 nan 0.000 0.420 618 N N 0.193 118.882 118.700 -0.018 0.000 2.242 618 N HA -0.170 4.570 4.740 -0.000 0.000 0.193 618 N C 0.274 175.786 175.510 0.004 0.000 1.000 618 N CA 0.869 53.915 53.050 -0.007 0.000 0.885 618 N CB -0.029 38.457 38.487 -0.001 0.000 0.988 618 N HN 0.045 nan 8.380 nan 0.000 0.444 619 S N -0.724 114.981 115.700 0.007 0.000 2.531 619 S HA 0.085 4.555 4.470 -0.000 0.000 0.279 619 S C 1.424 176.046 174.600 0.037 0.000 1.305 619 S CA -0.117 58.103 58.200 0.033 0.000 1.058 619 S CB 1.004 64.230 63.200 0.043 0.000 0.899 619 S HN 0.359 nan 8.310 nan 0.000 0.493 620 S N 5.289 121.049 115.700 0.101 0.000 2.419 620 S HA -0.187 4.283 4.470 -0.000 0.000 0.233 620 S C 1.770 176.491 174.600 0.202 0.000 1.016 620 S CA 1.306 59.607 58.200 0.167 0.000 0.974 620 S CB -0.559 62.763 63.200 0.204 0.000 0.786 620 S HN 0.859 nan 8.310 nan 0.000 0.492 621 M N 1.103 120.786 119.600 0.138 0.000 2.419 621 M HA 0.170 4.650 4.480 -0.000 0.000 0.264 621 M C 2.167 178.144 176.300 -0.538 0.000 1.082 621 M CA 1.027 56.197 55.300 -0.216 0.000 1.119 621 M CB -0.414 32.159 32.600 -0.045 0.000 1.398 621 M HN 0.503 nan 8.290 nan 0.000 0.453 622 A N 0.786 123.366 122.820 -0.401 0.000 2.019 622 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 622 A C 1.926 179.093 177.584 -0.694 0.000 1.164 622 A CA 1.183 52.880 52.037 -0.567 0.000 0.644 622 A CB -0.562 18.304 19.000 -0.224 0.000 0.805 622 A HN 0.446 nan 8.150 nan 0.000 0.449 623 R N -0.397 119.829 120.500 -0.458 0.000 2.127 623 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 623 R C 2.189 178.258 176.300 -0.384 0.000 1.134 623 R CA 1.254 57.158 56.100 -0.327 0.000 0.975 623 R CB -1.560 28.625 30.300 -0.191 0.000 0.865 623 R HN 0.530 nan 8.270 nan 0.000 0.447 624 G N 0.204 108.648 108.800 -0.593 0.000 2.559 624 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.216 624 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.216 624 G C 0.351 175.108 174.900 -0.239 0.000 1.126 624 G CA 0.340 45.192 45.100 -0.413 0.000 0.778 624 G HN 0.399 nan 8.290 nan 0.000 0.543 625 F N -2.074 117.743 119.950 -0.221 0.000 2.541 625 F HA 0.548 5.075 4.527 -0.000 0.000 0.368 625 F C 1.025 176.399 175.800 -0.710 0.000 1.530 625 F CA -1.153 56.526 58.000 -0.535 0.000 1.102 625 F CB -0.136 38.460 39.000 -0.674 0.000 1.382 625 F HN -0.171 nan 8.300 nan 0.000 0.541 626 S N 0.892 116.447 115.700 -0.243 0.000 2.420 626 S HA -0.166 4.304 4.470 -0.000 0.000 0.237 626 S C 1.829 176.481 174.600 0.087 0.000 1.023 626 S CA 1.934 60.093 58.200 -0.068 0.000 0.991 626 S CB -0.294 62.949 63.200 0.071 0.000 0.792 626 S HN 0.831 nan 8.310 nan 0.000 0.488 627 W N 1.509 122.847 121.300 0.063 0.000 2.465 627 W HA 0.058 4.718 4.660 -0.000 0.000 0.268 627 W C 1.546 178.046 176.519 -0.032 0.000 1.242 627 W CA 0.805 58.070 57.345 -0.133 0.000 1.248 627 W CB -0.850 27.866 29.460 -1.240 0.000 1.118 627 W HN 0.375 nan 8.180 nan 0.000 0.587 628 E N 1.643 121.495 120.200 -0.581 0.000 2.160 628 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 628 E C 2.087 178.634 176.600 -0.088 0.000 0.991 628 E CA 1.596 57.757 56.400 -0.397 0.000 0.810 628 E CB -0.111 29.224 29.700 -0.608 0.000 0.742 628 E HN 0.363 nan 8.360 nan 0.000 0.466 629 R N -0.829 119.596 120.500 -0.126 0.000 2.235 629 R HA -0.030 4.310 4.340 -0.000 0.000 0.213 629 R C 0.191 176.335 176.300 -0.260 0.000 1.059 629 R CA 0.418 56.377 56.100 -0.235 0.000 0.997 629 R CB -0.040 30.026 30.300 -0.389 0.000 0.884 629 R HN 0.130 nan 8.270 nan 0.000 0.462 630 Y N 0.706 121.106 120.300 0.167 0.000 2.387 630 Y HA 0.140 4.690 4.550 -0.000 0.000 0.330 630 Y C 1.529 177.585 175.900 0.261 0.000 1.133 630 Y CA -0.713 57.530 58.100 0.238 0.000 1.152 630 Y CB 1.210 39.870 38.460 0.333 0.000 1.215 630 Y HN -0.168 nan 8.280 nan 0.000 0.466 631 Q N 1.354 121.400 119.800 0.409 0.000 2.123 631 Q HA 0.115 4.455 4.340 -0.000 0.000 0.196 631 Q C -0.569 175.634 176.000 0.338 0.000 0.958 631 Q CA 0.762 56.756 55.803 0.317 0.000 0.841 631 Q CB 0.585 29.457 28.738 0.223 0.000 0.915 631 Q HN 0.583 nan 8.270 nan 0.000 0.455 632 L N -1.130 120.344 121.223 0.419 0.000 2.545 632 L HA 0.663 5.003 4.340 -0.000 0.000 0.258 632 L C -2.278 174.848 176.870 0.427 0.000 0.942 632 L CA -0.481 54.580 54.840 0.368 0.000 0.855 632 L CB 2.193 44.421 42.059 0.283 0.000 1.374 632 L HN -0.057 nan 8.230 nan 0.000 0.411 633 A N 3.796 126.838 122.820 0.369 0.000 2.455 633 A HA 0.850 5.170 4.320 -0.000 0.000 0.300 633 A C -1.800 175.995 177.584 0.351 0.000 1.040 633 A CA -0.545 51.667 52.037 0.293 0.000 0.697 633 A CB 1.964 21.079 19.000 0.193 0.000 1.265 633 A HN 0.557 nan 8.150 nan 0.000 0.407 634 V N 1.101 121.151 119.914 0.228 0.000 2.628 634 V HA 0.867 4.987 4.120 -0.000 0.000 0.306 634 V C 0.091 176.290 176.094 0.174 0.000 1.045 634 V CA -0.262 62.154 62.300 0.195 0.000 0.905 634 V CB 2.067 33.956 31.823 0.110 0.000 0.997 634 V HN 1.006 nan 8.190 nan 0.000 0.436 635 T N 2.626 117.297 114.554 0.196 0.000 2.923 635 T HA 0.301 4.651 4.350 -0.000 0.000 0.311 635 T C -0.886 173.872 174.700 0.097 0.000 1.183 635 T CA -0.516 61.703 62.100 0.199 0.000 1.020 635 T CB 1.955 71.107 68.868 0.474 0.000 1.165 635 T HN 0.688 nan 8.240 nan 0.000 0.482 636 Q N 2.049 121.866 119.800 0.029 0.000 2.289 636 Q HA 0.159 4.499 4.340 -0.000 0.000 0.273 636 Q C 0.107 176.103 176.000 -0.007 0.000 1.029 636 Q CA 0.189 55.978 55.803 -0.023 0.000 0.896 636 Q CB 0.711 29.417 28.738 -0.053 0.000 1.182 636 Q HN 0.266 nan 8.270 nan 0.000 0.385 637 R N 4.001 124.484 120.500 -0.028 0.000 2.196 637 R HA 0.190 4.530 4.340 -0.000 0.000 0.340 637 R C -0.853 175.415 176.300 -0.053 0.000 1.043 637 R CA 0.004 56.088 56.100 -0.026 0.000 0.883 637 R CB 0.391 30.654 30.300 -0.061 0.000 1.078 637 R HN 0.499 nan 8.270 nan 0.000 0.462 638 K N 2.853 123.216 120.400 -0.062 0.000 2.281 638 K HA 0.216 4.536 4.320 -0.000 0.000 0.242 638 K C 0.432 177.003 176.600 -0.049 0.000 0.971 638 K CA -0.992 55.251 56.287 -0.073 0.000 0.834 638 K CB 1.805 34.237 32.500 -0.113 0.000 1.181 638 K HN 0.434 nan 8.250 nan 0.000 0.435 639 E N 1.556 121.736 120.200 -0.033 0.000 2.107 639 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 639 E C 1.009 177.610 176.600 0.002 0.000 0.982 639 E CA 1.423 57.822 56.400 -0.001 0.000 0.809 639 E CB 0.212 29.916 29.700 0.006 0.000 0.756 639 E HN 0.544 nan 8.360 nan 0.000 0.459 640 E N 0.858 121.043 120.200 -0.024 0.000 2.401 640 E HA -0.118 4.232 4.350 -0.000 0.000 0.199 640 E C 0.288 176.851 176.600 -0.062 0.000 1.023 640 E CA 0.632 57.016 56.400 -0.027 0.000 0.859 640 E CB -0.059 29.619 29.700 -0.037 0.000 0.780 640 E HN 0.214 nan 8.360 nan 0.000 0.523 641 E N 0.340 120.467 120.200 -0.121 0.000 3.896 641 E HA 0.075 4.425 4.350 -0.000 0.000 0.217 641 E C -1.835 174.775 176.600 0.016 0.000 1.150 641 E CA -1.036 55.203 56.400 -0.268 0.000 1.338 641 E CB 0.750 29.978 29.700 -0.787 0.000 1.242 641 E HN 0.139 nan 8.360 nan 0.000 0.435 642 P HA 0.013 nan 4.420 nan 0.000 0.227 642 P C 0.201 177.698 177.300 0.329 0.000 1.161 642 P CA 0.513 63.739 63.100 0.209 0.000 0.788 642 P CB 0.685 32.487 31.700 0.169 0.000 0.822 643 S N -1.936 113.987 115.700 0.373 0.000 2.579 643 S HA 0.346 4.816 4.470 -0.000 0.000 0.272 643 S C 0.544 175.372 174.600 0.379 0.000 1.141 643 S CA -0.346 58.082 58.200 0.380 0.000 0.843 643 S CB 1.705 65.043 63.200 0.229 0.000 1.122 643 S HN -0.173 nan 8.310 nan 0.000 0.468 644 S N 0.378 116.199 115.700 0.201 0.000 2.441 644 S HA 0.294 4.764 4.470 -0.000 0.000 0.224 644 S C 0.867 175.427 174.600 -0.067 0.000 1.043 644 S CA 0.635 58.796 58.200 -0.065 0.000 0.948 644 S CB 0.081 63.179 63.200 -0.170 0.000 0.810 644 S HN 0.561 nan 8.310 nan 0.000 0.504 645 S N -0.673 115.021 115.700 -0.009 0.000 2.921 645 S HA 0.781 5.251 4.470 -0.000 0.000 0.315 645 S C -1.012 173.637 174.600 0.082 0.000 1.087 645 S CA -0.299 57.939 58.200 0.064 0.000 0.877 645 S CB 1.641 64.878 63.200 0.062 0.000 1.340 645 S HN 0.341 nan 8.310 nan 0.000 0.622 646 S N -0.781 114.967 115.700 0.081 0.000 2.567 646 S HA 0.348 4.818 4.470 -0.000 0.000 0.270 646 S C 0.193 174.759 174.600 -0.057 0.000 1.152 646 S CA -0.058 58.165 58.200 0.039 0.000 0.835 646 S CB 0.985 64.265 63.200 0.134 0.000 1.115 646 S HN 0.782 nan 8.310 nan 0.000 0.459 647 V N 2.875 122.597 119.914 -0.321 0.000 2.867 647 V HA 0.081 4.201 4.120 -0.000 0.000 0.260 647 V C 0.963 176.815 176.094 -0.403 0.000 1.099 647 V CA 1.808 63.811 62.300 -0.495 0.000 1.122 647 V CB -0.840 30.338 31.823 -1.075 0.000 0.708 647 V HN 0.767 nan 8.190 nan 0.000 0.490 648 F N 0.078 120.022 119.950 -0.009 0.000 2.765 648 F HA 0.247 4.774 4.527 -0.000 0.000 0.302 648 F C 1.830 177.634 175.800 0.008 0.000 1.111 648 F CA 0.133 58.124 58.000 -0.016 0.000 1.359 648 F CB -0.691 38.313 39.000 0.006 0.000 1.097 648 F HN 0.247 nan 8.300 nan 0.000 0.577 649 N N 0.050 118.839 118.700 0.149 0.000 2.333 649 N HA -0.118 4.622 4.740 -0.000 0.000 0.178 649 N C 1.885 177.432 175.510 0.062 0.000 1.018 649 N CA 0.579 53.687 53.050 0.098 0.000 0.882 649 N CB -0.337 38.214 38.487 0.107 0.000 0.984 649 N HN 0.184 nan 8.380 nan 0.000 0.434 650 Q N 1.158 121.019 119.800 0.101 0.000 2.045 650 Q HA -0.048 4.292 4.340 -0.000 0.000 0.206 650 Q C 0.829 176.860 176.000 0.052 0.000 0.991 650 Q CA 1.677 57.553 55.803 0.120 0.000 0.851 650 Q CB -0.258 28.585 28.738 0.175 0.000 0.911 650 Q HN 0.223 nan 8.270 nan 0.000 0.418 651 N N 0.113 118.844 118.700 0.052 0.000 2.398 651 N HA 0.028 4.768 4.740 -0.000 0.000 0.188 651 N C -0.809 174.762 175.510 0.101 0.000 1.122 651 N CA 0.612 53.702 53.050 0.067 0.000 0.866 651 N CB 0.526 39.048 38.487 0.058 0.000 0.970 651 N HN 0.238 nan 8.380 nan 0.000 0.462 652 D N -0.756 119.665 120.400 0.034 0.000 2.752 652 D HA 0.142 4.782 4.640 -0.000 0.000 0.242 652 D C -2.294 173.922 176.300 -0.139 0.000 1.295 652 D CA -1.149 52.876 54.000 0.042 0.000 0.846 652 D CB 1.088 42.059 40.800 0.286 0.000 1.454 652 D HN -0.065 nan 8.370 nan 0.000 0.535 653 P HA 0.039 nan 4.420 nan 0.000 0.241 653 P C 1.320 178.327 177.300 -0.488 0.000 1.191 653 P CA 0.311 63.095 63.100 -0.527 0.000 0.771 653 P CB 0.054 31.346 31.700 -0.680 0.000 0.929 654 W N 0.747 122.032 121.300 -0.025 0.000 2.453 654 W HA 0.283 4.943 4.660 -0.000 0.000 0.289 654 W C 0.825 177.330 176.519 -0.024 0.000 1.215 654 W CA 0.321 57.642 57.345 -0.040 0.000 1.297 654 W CB -0.682 28.761 29.460 -0.030 0.000 1.113 654 W HN -0.061 nan 8.180 nan 0.000 0.551 655 A N 1.998 124.939 122.820 0.202 0.000 2.654 655 A HA 0.494 4.814 4.320 -0.000 0.000 0.345 655 A C -2.510 175.121 177.584 0.079 0.000 1.368 655 A CA -1.250 50.862 52.037 0.125 0.000 0.895 655 A CB -0.162 18.925 19.000 0.146 0.000 1.143 655 A HN -0.263 nan 8.150 nan 0.000 0.490 656 P HA 0.265 nan 4.420 nan 0.000 0.279 656 P C 0.807 178.147 177.300 0.068 0.000 1.239 656 P CA 0.045 63.154 63.100 0.014 0.000 0.789 656 P CB 1.063 32.737 31.700 -0.044 0.000 0.933 657 T N 0.011 114.632 114.554 0.111 0.000 3.023 657 T HA 0.083 4.433 4.350 -0.000 0.000 0.266 657 T C 0.721 175.515 174.700 0.157 0.000 1.093 657 T CA 0.828 63.034 62.100 0.176 0.000 1.129 657 T CB 0.042 69.077 68.868 0.277 0.000 0.899 657 T HN 0.197 nan 8.240 nan 0.000 0.491 658 V N 1.513 121.494 119.914 0.112 0.000 2.733 658 V HA 0.466 4.586 4.120 -0.000 0.000 0.306 658 V C -1.712 174.396 176.094 0.024 0.000 1.084 658 V CA -1.165 61.185 62.300 0.083 0.000 0.905 658 V CB 2.381 34.266 31.823 0.104 0.000 1.010 658 V HN 0.114 nan 8.190 nan 0.000 0.424 659 D N 2.687 123.068 120.400 -0.032 0.000 2.549 659 D HA 0.277 4.917 4.640 -0.000 0.000 0.251 659 D C 0.223 176.373 176.300 -0.250 0.000 1.153 659 D CA -0.511 53.436 54.000 -0.088 0.000 0.861 659 D CB 1.581 42.343 40.800 -0.065 0.000 1.207 659 D HN 0.337 nan 8.370 nan 0.000 0.543 660 F N 3.455 123.159 119.950 -0.410 0.000 2.259 660 F HA -0.098 4.429 4.527 -0.000 0.000 0.298 660 F C 2.153 177.593 175.800 -0.601 0.000 1.088 660 F CA 1.616 59.145 58.000 -0.785 0.000 1.358 660 F CB -0.064 38.636 39.000 -0.500 0.000 1.040 660 F HN 0.390 nan 8.300 nan 0.000 0.505 661 S N -0.600 114.871 115.700 -0.383 0.000 2.465 661 S HA -0.212 4.258 4.470 -0.000 0.000 0.241 661 S C 1.570 175.991 174.600 -0.297 0.000 1.000 661 S CA 1.353 59.362 58.200 -0.318 0.000 0.964 661 S CB -0.788 62.383 63.200 -0.049 0.000 0.763 661 S HN 0.455 nan 8.310 nan 0.000 0.512 662 D N 0.986 121.232 120.400 -0.257 0.000 2.264 662 D HA 0.012 4.652 4.640 -0.000 0.000 0.208 662 D C 1.347 177.690 176.300 0.071 0.000 0.966 662 D CA 0.818 54.783 54.000 -0.059 0.000 0.864 662 D CB -0.347 40.481 40.800 0.047 0.000 0.933 662 D HN 0.602 nan 8.370 nan 0.000 0.499 663 F N 0.262 119.990 119.950 -0.370 0.000 2.367 663 F HA 0.103 4.630 4.527 -0.000 0.000 0.298 663 F C 1.197 176.809 175.800 -0.314 0.000 1.094 663 F CA -0.141 57.649 58.000 -0.351 0.000 1.409 663 F CB 0.346 39.021 39.000 -0.541 0.000 1.064 663 F HN -0.224 nan 8.300 nan 0.000 0.528 664 I N 2.839 123.292 120.570 -0.194 0.000 2.269 664 I HA 0.036 4.206 4.170 -0.000 0.000 0.293 664 I C -0.083 175.974 176.117 -0.100 0.000 1.106 664 I CA -0.064 61.130 61.300 -0.177 0.000 1.248 664 I CB 0.116 37.944 38.000 -0.286 0.000 1.444 664 I HN 0.153 nan 8.210 nan 0.000 0.497 665 N N 4.934 123.596 118.700 -0.064 0.000 2.390 665 N HA 0.035 4.775 4.740 -0.000 0.000 0.259 665 N C 0.062 175.549 175.510 -0.038 0.000 1.395 665 N CA -0.492 52.533 53.050 -0.042 0.000 0.852 665 N CB -0.166 38.304 38.487 -0.027 0.000 1.371 665 N HN 0.493 nan 8.380 nan 0.000 0.491 666 N N 0.416 119.090 118.700 -0.043 0.000 2.816 666 N HA -0.184 4.556 4.740 -0.000 0.000 0.247 666 N C -1.400 174.087 175.510 -0.039 0.000 1.100 666 N CA 0.821 53.847 53.050 -0.039 0.000 0.687 666 N CB -1.110 37.358 38.487 -0.031 0.000 1.003 666 N HN 0.654 nan 8.380 nan 0.000 0.554 667 E N -0.733 119.440 120.200 -0.044 0.000 2.243 667 E HA 0.422 4.772 4.350 -0.000 0.000 0.260 667 E C 0.103 176.670 176.600 -0.055 0.000 0.985 667 E CA -0.746 55.626 56.400 -0.047 0.000 0.858 667 E CB 1.030 30.700 29.700 -0.050 0.000 1.210 667 E HN 0.223 nan 8.360 nan 0.000 0.411 668 T N 0.493 115.010 114.554 -0.062 0.000 2.899 668 T HA 0.298 4.648 4.350 -0.000 0.000 0.295 668 T C 0.496 175.133 174.700 -0.104 0.000 1.033 668 T CA -0.302 61.752 62.100 -0.078 0.000 1.084 668 T CB 0.168 68.987 68.868 -0.082 0.000 0.979 668 T HN 0.481 nan 8.240 nan 0.000 0.532 669 I N 1.246 121.742 120.570 -0.122 0.000 3.491 669 I HA 0.586 4.756 4.170 -0.000 0.000 0.332 669 I C 0.308 176.263 176.117 -0.270 0.000 1.565 669 I CA -0.978 60.224 61.300 -0.162 0.000 1.050 669 I CB 0.189 38.131 38.000 -0.098 0.000 1.348 669 I HN 0.492 nan 8.210 nan 0.000 0.506 670 A N 1.706 124.340 122.820 -0.310 0.000 2.478 670 A HA 0.662 4.982 4.320 -0.000 0.000 0.327 670 A C 1.134 178.142 177.584 -0.960 0.000 1.431 670 A CA 0.177 51.914 52.037 -0.499 0.000 1.014 670 A CB -0.602 18.371 19.000 -0.044 0.000 1.143 670 A HN 1.156 nan 8.150 nan 0.000 0.532 671 G N 2.099 109.722 108.800 -1.962 0.000 2.368 671 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.290 671 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.290 671 G C -0.172 174.266 174.900 -0.770 0.000 1.098 671 G CA 0.278 44.230 45.100 -1.913 0.000 1.073 671 G HN 0.662 nan 8.290 nan 0.000 0.511 672 K N -0.483 119.584 120.400 -0.555 0.000 2.372 672 K HA 0.520 4.840 4.320 -0.000 0.000 0.251 672 K C -0.705 175.765 176.600 -0.217 0.000 1.055 672 K CA -1.085 55.023 56.287 -0.298 0.000 0.879 672 K CB 0.948 33.314 32.500 -0.224 0.000 1.384 672 K HN 0.154 nan 8.250 nan 0.000 0.465 673 D N 1.777 122.091 120.400 -0.144 0.000 2.325 673 D HA 0.227 4.867 4.640 -0.000 0.000 0.251 673 D C -0.558 175.683 176.300 -0.097 0.000 1.196 673 D CA -0.029 53.908 54.000 -0.106 0.000 0.866 673 D CB 0.172 40.914 40.800 -0.096 0.000 1.101 673 D HN 0.276 nan 8.370 nan 0.000 0.476 674 L N 3.097 124.271 121.223 -0.082 0.000 2.334 674 L HA 0.598 4.938 4.340 -0.000 0.000 0.272 674 L C -0.187 176.631 176.870 -0.087 0.000 1.020 674 L CA -1.224 53.575 54.840 -0.069 0.000 0.812 674 L CB 2.047 44.076 42.059 -0.050 0.000 1.264 674 L HN 0.163 nan 8.230 nan 0.000 0.439 675 V N 1.577 121.428 119.914 -0.105 0.000 2.686 675 V HA 0.774 4.894 4.120 -0.000 0.000 0.306 675 V C -0.589 175.312 176.094 -0.323 0.000 1.065 675 V CA -0.307 61.832 62.300 -0.268 0.000 0.894 675 V CB 1.874 33.470 31.823 -0.379 0.000 1.004 675 V HN 0.853 nan 8.190 nan 0.000 0.424 676 A N 6.045 128.636 122.820 -0.382 0.000 2.312 676 A HA 0.848 5.168 4.320 -0.000 0.000 0.326 676 A C -1.436 175.878 177.584 -0.450 0.000 1.172 676 A CA -0.483 51.404 52.037 -0.250 0.000 0.821 676 A CB 0.703 19.601 19.000 -0.171 0.000 1.166 676 A HN 0.924 nan 8.150 nan 0.000 0.493 677 W N 1.803 123.069 121.300 -0.055 0.000 2.538 677 W HA 0.545 5.205 4.660 -0.000 0.000 0.322 677 W C -0.858 175.550 176.519 -0.186 0.000 1.028 677 W CA -0.584 56.648 57.345 -0.190 0.000 1.228 677 W CB 1.943 31.392 29.460 -0.018 0.000 1.356 677 W HN 0.407 nan 8.180 nan 0.000 0.452 678 V N 3.398 123.223 119.914 -0.148 0.000 2.409 678 V HA 0.504 4.624 4.120 -0.000 0.000 0.291 678 V C -0.039 176.157 176.094 0.170 0.000 1.020 678 V CA -0.678 61.593 62.300 -0.048 0.000 0.848 678 V CB 1.602 33.183 31.823 -0.403 0.000 0.990 678 V HN 0.504 nan 8.190 nan 0.000 0.430 679 T N 4.163 118.934 114.554 0.362 0.000 2.829 679 T HA 0.797 5.147 4.350 -0.000 0.000 0.282 679 T C -0.081 174.867 174.700 0.414 0.000 0.990 679 T CA -0.313 62.090 62.100 0.505 0.000 1.028 679 T CB 1.638 70.846 68.868 0.566 0.000 0.951 679 T HN 0.983 nan 8.240 nan 0.000 0.460 680 A N 1.645 124.752 122.820 0.478 0.000 2.486 680 A HA 0.981 5.301 4.320 -0.000 0.000 0.300 680 A C -0.105 177.774 177.584 0.491 0.000 1.048 680 A CA -0.399 51.900 52.037 0.436 0.000 0.696 680 A CB 1.795 21.084 19.000 0.481 0.000 1.278 680 A HN 1.228 nan 8.150 nan 0.000 0.405 681 G N -0.226 108.823 108.800 0.415 0.000 2.342 681 G HA2 0.759 4.718 3.960 -0.000 0.000 0.297 681 G HA3 0.759 4.718 3.960 -0.000 0.000 0.297 681 G C -1.152 174.050 174.900 0.503 0.000 1.313 681 G CA 0.166 45.534 45.100 0.445 0.000 0.830 681 G HN 1.955 nan 8.290 nan 0.000 0.506 682 F N -2.035 118.045 119.950 0.215 0.000 2.745 682 F HA 0.852 5.379 4.527 -0.000 0.000 0.316 682 F C -1.322 174.547 175.800 0.114 0.000 1.155 682 F CA -1.487 56.621 58.000 0.180 0.000 0.937 682 F CB 1.524 40.635 39.000 0.185 0.000 1.361 682 F HN 0.665 nan 8.300 nan 0.000 0.472 683 L N 1.607 122.953 121.223 0.204 0.000 2.343 683 L HA 0.544 4.884 4.340 -0.000 0.000 0.275 683 L C -1.166 175.770 176.870 0.109 0.000 1.056 683 L CA -0.093 54.763 54.840 0.027 0.000 0.804 683 L CB 1.330 43.396 42.059 0.012 0.000 1.203 683 L HN 0.856 nan 8.230 nan 0.000 0.440 684 H N 5.510 124.416 119.070 -0.273 0.000 3.092 684 H HA 0.409 4.965 4.556 -0.000 0.000 0.308 684 H C -1.254 173.798 175.328 -0.460 0.000 1.047 684 H CA -0.856 55.003 56.048 -0.315 0.000 1.466 684 H CB 0.935 30.512 29.762 -0.307 0.000 1.597 684 H HN 0.646 nan 8.280 nan 0.000 0.512 685 I N 7.460 127.940 120.570 -0.151 0.000 2.281 685 I HA 0.181 4.351 4.170 -0.000 0.000 0.293 685 I C -2.170 173.824 176.117 -0.205 0.000 1.085 685 I CA -1.806 59.369 61.300 -0.208 0.000 1.257 685 I CB 0.702 38.616 38.000 -0.144 0.000 1.430 685 I HN 0.404 nan 8.210 nan 0.000 0.489 686 P HA 0.039 nan 4.420 nan 0.000 0.269 686 P C -0.859 176.499 177.300 0.097 0.000 1.217 686 P CA 0.542 63.604 63.100 -0.063 0.000 0.783 686 P CB 0.431 32.086 31.700 -0.074 0.000 0.898 687 H N -1.496 117.613 119.070 0.065 0.000 2.933 687 H HA 0.566 5.122 4.556 -0.000 0.000 0.310 687 H C 0.316 175.665 175.328 0.035 0.000 1.351 687 H CA -0.962 55.108 56.048 0.038 0.000 1.137 687 H CB -0.068 29.714 29.762 0.033 0.000 1.853 687 H HN 0.282 nan 8.280 nan 0.000 0.539 688 A N -0.103 122.749 122.820 0.053 0.000 2.067 688 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 688 A C 1.010 178.542 177.584 -0.086 0.000 1.158 688 A CA 1.493 53.522 52.037 -0.014 0.000 0.661 688 A CB -0.647 18.345 19.000 -0.014 0.000 0.801 688 A HN 0.658 nan 8.150 nan 0.000 0.452 689 E N 0.252 120.301 120.200 -0.251 0.000 2.476 689 E HA 0.044 4.394 4.350 -0.000 0.000 0.191 689 E C 0.210 176.704 176.600 -0.178 0.000 1.064 689 E CA 0.204 56.457 56.400 -0.245 0.000 0.866 689 E CB 0.131 29.641 29.700 -0.316 0.000 0.952 689 E HN 0.408 nan 8.360 nan 0.000 0.492 690 D N -0.117 120.240 120.400 -0.072 0.000 2.339 690 D HA 0.027 4.667 4.640 -0.000 0.000 0.217 690 D C -0.082 176.226 176.300 0.012 0.000 1.050 690 D CA 0.250 54.285 54.000 0.058 0.000 0.856 690 D CB 0.437 41.395 40.800 0.263 0.000 0.922 690 D HN 0.105 nan 8.370 nan 0.000 0.518 691 I N 2.355 122.919 120.570 -0.009 0.000 2.321 691 I HA 0.152 4.322 4.170 -0.000 0.000 0.291 691 I C -1.250 174.850 176.117 -0.029 0.000 0.998 691 I CA -2.116 59.181 61.300 -0.006 0.000 1.227 691 I CB 1.291 39.302 38.000 0.017 0.000 1.368 691 I HN -0.230 nan 8.210 nan 0.000 0.466 692 P HA 0.020 nan 4.420 nan 0.000 0.219 692 P C 0.120 177.198 177.300 -0.370 0.000 1.154 692 P CA 0.852 63.889 63.100 -0.105 0.000 0.826 692 P CB 0.629 32.277 31.700 -0.087 0.000 0.795 693 N N -0.591 117.920 118.700 -0.316 0.000 2.284 693 N HA 0.191 4.931 4.740 -0.000 0.000 0.300 693 N C -0.566 174.857 175.510 -0.145 0.000 1.047 693 N CA -0.249 52.605 53.050 -0.326 0.000 0.821 693 N CB 1.093 39.380 38.487 -0.333 0.000 1.337 693 N HN -0.204 nan 8.380 nan 0.000 0.482 694 T N 0.671 115.178 114.554 -0.078 0.000 2.946 694 T HA 0.138 4.488 4.350 -0.000 0.000 0.311 694 T C 0.408 175.075 174.700 -0.055 0.000 1.063 694 T CA 0.111 62.209 62.100 -0.002 0.000 1.139 694 T CB 0.372 69.290 68.868 0.084 0.000 0.994 694 T HN 0.049 nan 8.240 nan 0.000 0.547 695 V N 3.061 122.945 119.914 -0.051 0.000 2.769 695 V HA 0.303 4.423 4.120 -0.000 0.000 0.312 695 V C 1.716 177.771 176.094 -0.065 0.000 1.058 695 V CA -0.363 61.895 62.300 -0.071 0.000 0.952 695 V CB 1.980 33.759 31.823 -0.073 0.000 1.019 695 V HN 1.149 nan 8.190 nan 0.000 0.445 696 T N 0.304 114.817 114.554 -0.068 0.000 2.777 696 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 696 T C 0.742 175.448 174.700 0.010 0.000 1.040 696 T CA 0.669 62.759 62.100 -0.017 0.000 1.141 696 T CB -0.356 68.416 68.868 -0.161 0.000 0.868 696 T HN 0.355 nan 8.240 nan 0.000 0.444 697 V N 2.930 122.820 119.914 -0.040 0.000 2.539 697 V HA 0.337 4.457 4.120 -0.000 0.000 0.294 697 V C 1.868 177.910 176.094 -0.088 0.000 0.994 697 V CA 0.915 63.189 62.300 -0.044 0.000 1.169 697 V CB -1.070 30.719 31.823 -0.056 0.000 0.898 697 V HN 0.984 nan 8.190 nan 0.000 0.471 698 G N 4.227 112.975 108.800 -0.088 0.000 2.225 698 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 698 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 698 G C 0.469 175.186 174.900 -0.305 0.000 0.988 698 G CA 0.495 45.491 45.100 -0.174 0.000 0.625 698 G HN 0.726 nan 8.290 nan 0.000 0.527 699 N N 0.896 119.408 118.700 -0.313 0.000 2.268 699 N HA 0.396 5.136 4.740 -0.000 0.000 0.204 699 N C 1.193 176.374 175.510 -0.548 0.000 1.124 699 N CA 0.151 52.862 53.050 -0.564 0.000 0.838 699 N CB 0.472 38.684 38.487 -0.459 0.000 0.994 699 N HN 0.530 nan 8.380 nan 0.000 0.489 700 G N 0.756 109.292 108.800 -0.441 0.000 2.343 700 G HA2 0.354 4.314 3.960 -0.000 0.000 0.254 700 G HA3 0.354 4.314 3.960 -0.000 0.000 0.254 700 G C -0.444 174.197 174.900 -0.431 0.000 1.277 700 G CA 0.081 44.748 45.100 -0.721 0.000 0.909 700 G HN -0.008 nan 8.290 nan 0.000 0.502 701 V N 1.796 121.441 119.914 -0.450 0.000 2.925 701 V HA 0.967 5.087 4.120 -0.000 0.000 0.311 701 V C 0.646 176.666 176.094 -0.123 0.000 1.104 701 V CA 0.626 62.815 62.300 -0.185 0.000 0.954 701 V CB 1.783 33.580 31.823 -0.044 0.000 1.022 701 V HN 1.396 nan 8.190 nan 0.000 0.427 702 G N 2.932 111.676 108.800 -0.094 0.000 2.566 702 G HA2 0.501 4.461 3.960 -0.000 0.000 0.138 702 G HA3 0.501 4.461 3.960 -0.000 0.000 0.138 702 G C -1.482 173.360 174.900 -0.098 0.000 1.133 702 G CA 0.261 45.227 45.100 -0.223 0.000 1.037 702 G HN 1.410 nan 8.290 nan 0.000 0.491 703 F N -2.063 117.674 119.950 -0.354 0.000 2.741 703 F HA 0.818 5.345 4.527 -0.000 0.000 0.311 703 F C -1.813 173.782 175.800 -0.340 0.000 1.149 703 F CA -1.812 56.048 58.000 -0.232 0.000 0.930 703 F CB 1.005 39.901 39.000 -0.174 0.000 1.312 703 F HN 0.436 nan 8.300 nan 0.000 0.450 704 F N 2.040 122.014 119.950 0.041 0.000 2.450 704 F HA 0.708 5.235 4.527 -0.000 0.000 0.332 704 F C -0.423 175.452 175.800 0.125 0.000 1.093 704 F CA -0.847 57.152 58.000 -0.001 0.000 1.003 704 F CB 1.923 40.905 39.000 -0.030 0.000 1.151 704 F HN 0.339 nan 8.300 nan 0.000 0.474 705 L N 4.786 126.188 121.223 0.300 0.000 2.298 705 L HA 0.597 4.937 4.340 -0.000 0.000 0.284 705 L C -0.352 176.741 176.870 0.371 0.000 1.013 705 L CA -0.579 54.454 54.840 0.321 0.000 0.824 705 L CB 1.292 43.505 42.059 0.256 0.000 1.221 705 L HN 0.545 nan 8.230 nan 0.000 0.418 706 R N 3.872 124.505 120.500 0.223 0.000 2.628 706 R HA 0.453 4.793 4.340 -0.000 0.000 0.288 706 R C -2.684 173.348 176.300 -0.446 0.000 0.980 706 R CA -1.901 54.181 56.100 -0.030 0.000 0.891 706 R CB 2.883 33.156 30.300 -0.045 0.000 1.188 706 R HN 0.246 nan 8.270 nan 0.000 0.450 707 P HA -0.023 nan 4.420 nan 0.000 0.267 707 P C -1.271 175.916 177.300 -0.189 0.000 1.205 707 P CA 0.176 62.814 63.100 -0.770 0.000 0.765 707 P CB 0.360 31.930 31.700 -0.216 0.000 0.828 708 Y N 3.911 124.043 120.300 -0.280 0.000 2.445 708 Y HA 0.219 4.769 4.550 -0.000 0.000 0.332 708 Y C 0.270 176.102 175.900 -0.113 0.000 1.037 708 Y CA -0.517 57.458 58.100 -0.208 0.000 1.296 708 Y CB 0.124 38.348 38.460 -0.394 0.000 1.099 708 Y HN 0.397 nan 8.280 nan 0.000 0.496 709 N N 3.577 122.117 118.700 -0.268 0.000 2.725 709 N HA -0.316 4.424 4.740 -0.000 0.000 0.249 709 N C 0.548 176.070 175.510 0.019 0.000 1.103 709 N CA 1.499 54.468 53.050 -0.135 0.000 0.707 709 N CB -1.558 36.782 38.487 -0.244 0.000 1.043 709 N HN 0.722 nan 8.380 nan 0.000 0.553 710 F N 0.148 120.028 119.950 -0.117 0.000 2.179 710 F HA 0.198 4.725 4.527 -0.000 0.000 0.292 710 F C 0.980 176.615 175.800 -0.274 0.000 1.089 710 F CA 0.846 58.728 58.000 -0.197 0.000 1.295 710 F CB 0.110 38.900 39.000 -0.351 0.000 1.041 710 F HN -0.010 nan 8.300 nan 0.000 0.487 711 F N 0.539 120.587 119.950 0.164 0.000 2.364 711 F HA 0.221 4.748 4.527 -0.000 0.000 0.316 711 F C 1.502 177.315 175.800 0.022 0.000 1.133 711 F CA -0.696 57.339 58.000 0.059 0.000 1.051 711 F CB 0.100 39.209 39.000 0.183 0.000 1.342 711 F HN -0.253 nan 8.300 nan 0.000 0.507 712 D N -0.482 120.068 120.400 0.250 0.000 2.333 712 D HA 0.073 4.713 4.640 -0.000 0.000 0.208 712 D C -0.201 176.288 176.300 0.315 0.000 0.984 712 D CA 0.760 54.862 54.000 0.170 0.000 0.873 712 D CB 0.149 40.961 40.800 0.020 0.000 0.935 712 D HN 0.633 nan 8.370 nan 0.000 0.521 713 E N -0.663 119.694 120.200 0.262 0.000 2.439 713 E HA 0.205 4.555 4.350 -0.000 0.000 0.279 713 E C -1.428 175.228 176.600 0.093 0.000 1.077 713 E CA -0.933 55.560 56.400 0.154 0.000 0.849 713 E CB 0.592 30.331 29.700 0.066 0.000 1.408 713 E HN -0.322 nan 8.360 nan 0.000 0.457 714 D N 0.921 121.336 120.400 0.025 0.000 2.412 714 D HA 0.095 4.735 4.640 -0.000 0.000 0.257 714 D C -1.641 174.662 176.300 0.005 0.000 1.217 714 D CA -1.783 52.211 54.000 -0.011 0.000 0.897 714 D CB 1.001 41.804 40.800 0.005 0.000 1.132 714 D HN 0.095 nan 8.370 nan 0.000 0.493 715 P HA -0.135 nan 4.420 nan 0.000 0.221 715 P C 1.132 178.527 177.300 0.159 0.000 1.145 715 P CA 0.968 64.088 63.100 0.034 0.000 0.795 715 P CB 0.102 31.746 31.700 -0.093 0.000 0.775 716 S N -1.678 114.084 115.700 0.103 0.000 2.515 716 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 716 S C 1.773 176.411 174.600 0.063 0.000 0.987 716 S CA 0.059 58.321 58.200 0.103 0.000 0.936 716 S CB -1.544 61.713 63.200 0.095 0.000 0.766 716 S HN 0.017 nan 8.310 nan 0.000 0.528 717 F N 2.627 122.499 119.950 -0.129 0.000 2.115 717 F HA -0.139 4.388 4.527 -0.000 0.000 0.300 717 F C 1.230 176.825 175.800 -0.341 0.000 1.092 717 F CA 1.209 59.030 58.000 -0.298 0.000 1.245 717 F CB -0.723 37.972 39.000 -0.508 0.000 0.995 717 F HN 0.264 nan 8.300 nan 0.000 0.481 718 Y N 0.216 120.399 120.300 -0.195 0.000 2.470 718 Y HA 0.211 4.761 4.550 -0.000 0.000 0.302 718 Y C 1.364 177.166 175.900 -0.164 0.000 1.194 718 Y CA 0.182 58.118 58.100 -0.273 0.000 1.271 718 Y CB -1.099 37.290 38.460 -0.118 0.000 1.092 718 Y HN -0.023 nan 8.280 nan 0.000 0.513 719 S N 0.606 116.291 115.700 -0.025 0.000 2.562 719 S HA 0.293 4.763 4.470 -0.000 0.000 0.281 719 S C 1.538 176.133 174.600 -0.008 0.000 1.333 719 S CA 0.072 58.279 58.200 0.013 0.000 1.052 719 S CB 1.096 64.318 63.200 0.036 0.000 0.884 719 S HN 0.466 nan 8.310 nan 0.000 0.506 720 A N 3.519 126.347 122.820 0.013 0.000 2.066 720 A HA 0.029 4.349 4.320 -0.000 0.000 0.218 720 A C 1.421 179.022 177.584 0.028 0.000 1.157 720 A CA 1.298 53.343 52.037 0.012 0.000 0.670 720 A CB -0.375 18.635 19.000 0.016 0.000 0.804 720 A HN 0.861 nan 8.150 nan 0.000 0.453 721 D N -0.269 120.156 120.400 0.043 0.000 2.339 721 D HA 0.076 4.716 4.640 -0.000 0.000 0.217 721 D C 1.081 177.424 176.300 0.072 0.000 1.050 721 D CA 0.643 54.680 54.000 0.062 0.000 0.856 721 D CB -0.128 40.718 40.800 0.076 0.000 0.922 721 D HN 0.384 nan 8.370 nan 0.000 0.518 722 S N 0.516 116.247 115.700 0.051 0.000 2.563 722 S HA 0.082 4.552 4.470 -0.000 0.000 0.269 722 S C 0.081 174.743 174.600 0.105 0.000 1.364 722 S CA -0.055 58.180 58.200 0.058 0.000 1.010 722 S CB 0.473 63.669 63.200 -0.006 0.000 0.877 722 S HN 0.023 nan 8.310 nan 0.000 0.549 723 I N 2.948 123.610 120.570 0.152 0.000 2.569 723 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 723 I C -1.133 175.146 176.117 0.269 0.000 1.088 723 I CA -0.472 60.970 61.300 0.237 0.000 1.047 723 I CB 1.616 39.798 38.000 0.302 0.000 1.237 723 I HN 0.915 nan 8.210 nan 0.000 0.421 724 Y N 7.961 128.352 120.300 0.151 0.000 2.504 724 Y HA 0.715 5.265 4.550 -0.000 0.000 0.344 724 Y C -1.530 174.495 175.900 0.208 0.000 1.023 724 Y CA -0.908 57.236 58.100 0.072 0.000 1.020 724 Y CB 1.991 40.472 38.460 0.036 0.000 1.282 724 Y HN 0.434 nan 8.280 nan 0.000 0.454 725 F N 2.204 121.922 119.950 -0.386 0.000 2.693 725 F HA 0.716 5.243 4.527 -0.000 0.000 0.309 725 F C -1.506 174.079 175.800 -0.359 0.000 1.129 725 F CA -1.405 56.457 58.000 -0.230 0.000 0.948 725 F CB 1.268 40.245 39.000 -0.038 0.000 1.315 725 F HN 0.442 nan 8.300 nan 0.000 0.447 726 R N 0.091 120.687 120.500 0.160 0.000 2.596 726 R HA 0.600 4.940 4.340 -0.000 0.000 0.267 726 R C 1.271 177.692 176.300 0.201 0.000 1.026 726 R CA -0.035 56.155 56.100 0.150 0.000 1.087 726 R CB 1.505 31.936 30.300 0.219 0.000 1.132 726 R HN 1.027 nan 8.270 nan 0.000 0.531 727 G N 0.470 109.368 108.800 0.163 0.000 2.421 727 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.216 727 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.216 727 G C 0.694 175.635 174.900 0.069 0.000 1.171 727 G CA 1.256 46.403 45.100 0.078 0.000 0.775 727 G HN 0.849 nan 8.290 nan 0.000 0.543 728 D N -0.233 120.232 120.400 0.107 0.000 2.358 728 D HA 0.043 4.683 4.640 -0.000 0.000 0.241 728 D C 1.001 177.343 176.300 0.071 0.000 1.094 728 D CA 0.243 54.293 54.000 0.083 0.000 0.907 728 D CB -0.055 40.803 40.800 0.096 0.000 0.893 728 D HN 0.371 nan 8.370 nan 0.000 0.528 729 Q N -0.377 119.468 119.800 0.076 0.000 2.241 729 Q HA 0.216 4.556 4.340 -0.000 0.000 0.262 729 Q C -0.829 175.165 176.000 -0.011 0.000 1.014 729 Q CA -0.991 54.845 55.803 0.055 0.000 0.885 729 Q CB 1.225 30.025 28.738 0.104 0.000 1.311 729 Q HN 0.062 nan 8.270 nan 0.000 0.461 730 D N 0.439 120.820 120.400 -0.032 0.000 2.374 730 D HA 0.179 4.819 4.640 -0.000 0.000 0.240 730 D C 0.203 176.399 176.300 -0.173 0.000 1.229 730 D CA 0.022 53.970 54.000 -0.086 0.000 0.895 730 D CB 1.182 41.948 40.800 -0.057 0.000 1.046 730 D HN 0.657 nan 8.370 nan 0.000 0.498 731 A N 2.955 125.581 122.820 -0.323 0.000 2.067 731 A HA 0.033 4.353 4.320 -0.000 0.000 0.219 731 A C 1.768 179.082 177.584 -0.451 0.000 1.158 731 A CA 1.203 52.831 52.037 -0.681 0.000 0.661 731 A CB 0.066 18.352 19.000 -1.190 0.000 0.801 731 A HN 0.555 nan 8.150 nan 0.000 0.452 732 G N -1.281 107.360 108.800 -0.265 0.000 3.337 732 G HA2 0.467 4.427 3.960 -0.000 0.000 0.246 732 G HA3 0.467 4.427 3.960 -0.000 0.000 0.246 732 G C 0.379 175.217 174.900 -0.104 0.000 1.131 732 G CA 0.589 45.588 45.100 -0.169 0.000 0.773 732 G HN 0.687 nan 8.290 nan 0.000 0.544 733 A N -0.852 121.912 122.820 -0.094 0.000 2.310 733 A HA 0.470 4.790 4.320 -0.000 0.000 0.299 733 A C 1.278 178.844 177.584 -0.031 0.000 1.147 733 A CA -0.296 51.712 52.037 -0.049 0.000 0.818 733 A CB 0.928 19.908 19.000 -0.035 0.000 1.096 733 A HN 0.254 nan 8.150 nan 0.000 0.495 734 c N 1.403 119.996 118.600 -0.012 0.000 2.450 734 c HA -0.044 4.526 4.570 -0.000 0.000 0.279 734 c C 2.461 176.562 174.090 0.018 0.000 1.335 734 c CA 1.352 57.683 56.329 0.003 0.000 1.749 734 c CB -1.159 41.355 42.510 0.006 0.000 1.963 734 c HN 0.927 nan 8.230 nan 0.000 0.501 735 E N 0.392 120.604 120.200 0.019 0.000 2.409 735 E HA -0.106 4.244 4.350 -0.000 0.000 0.198 735 E C 1.648 178.277 176.600 0.048 0.000 1.024 735 E CA 1.443 57.861 56.400 0.030 0.000 0.861 735 E CB -0.273 29.442 29.700 0.026 0.000 0.788 735 E HN 0.555 nan 8.360 nan 0.000 0.521 736 V N 0.547 120.490 119.914 0.050 0.000 3.125 736 V HA 0.069 4.189 4.120 -0.000 0.000 0.249 736 V C 0.612 176.780 176.094 0.124 0.000 1.113 736 V CA 0.676 63.029 62.300 0.088 0.000 1.106 736 V CB -0.209 31.649 31.823 0.058 0.000 0.768 736 V HN 0.200 nan 8.190 nan 0.000 0.468 737 N N -0.336 118.412 118.700 0.080 0.000 2.599 737 N HA 0.290 5.030 4.740 -0.000 0.000 0.283 737 N C -2.436 173.114 175.510 0.066 0.000 1.160 737 N CA -1.425 51.683 53.050 0.097 0.000 0.869 737 N CB 2.240 40.735 38.487 0.014 0.000 1.448 737 N HN -0.165 nan 8.380 nan 0.000 0.535 738 P HA -0.092 nan 4.420 nan 0.000 0.217 738 P C 1.357 178.688 177.300 0.052 0.000 1.148 738 P CA 1.069 64.207 63.100 0.063 0.000 0.834 738 P CB 0.406 32.150 31.700 0.073 0.000 0.783 739 L N -1.540 119.717 121.223 0.057 0.000 2.275 739 L HA -0.072 4.268 4.340 -0.000 0.000 0.215 739 L C 1.923 178.803 176.870 0.016 0.000 1.119 739 L CA 0.853 55.718 54.840 0.042 0.000 0.790 739 L CB -0.868 41.221 42.059 0.051 0.000 0.919 739 L HN -0.075 nan 8.230 nan 0.000 0.443 740 A N -1.420 121.401 122.820 0.002 0.000 2.281 740 A HA 0.067 4.387 4.320 -0.000 0.000 0.231 740 A C 1.376 178.960 177.584 0.001 0.000 1.317 740 A CA 0.459 52.488 52.037 -0.014 0.000 0.959 740 A CB -0.958 18.018 19.000 -0.040 0.000 0.900 740 A HN 0.614 nan 8.150 nan 0.000 0.497 741 c N -2.830 115.779 118.600 0.015 0.000 4.304 741 c HA 0.247 4.817 4.570 -0.000 0.000 0.455 741 c C 2.044 176.153 174.090 0.031 0.000 1.625 741 c CA -0.140 56.201 56.329 0.021 0.000 2.132 741 c CB -1.059 41.466 42.510 0.025 0.000 3.225 741 c HN 0.539 nan 8.230 nan 0.000 0.669 742 L N 2.544 123.788 121.223 0.035 0.000 2.058 742 L HA -0.207 4.133 4.340 -0.000 0.000 0.226 742 L C -0.003 176.896 176.870 0.048 0.000 1.089 742 L CA 2.491 57.358 54.840 0.046 0.000 0.799 742 L CB -2.068 40.016 42.059 0.043 0.000 0.900 742 L HN 0.325 nan 8.230 nan 0.000 0.442 743 P HA -0.144 nan 4.420 nan 0.000 0.212 743 P C 1.481 178.797 177.300 0.028 0.000 1.180 743 P CA 1.220 64.338 63.100 0.031 0.000 0.902 743 P CB -0.116 31.594 31.700 0.018 0.000 0.778 744 Q N 0.081 119.893 119.800 0.020 0.000 1.978 744 Q HA -0.086 4.253 4.340 -0.000 0.000 0.211 744 Q C 0.728 176.742 176.000 0.023 0.000 1.013 744 Q CA 1.693 57.506 55.803 0.017 0.000 0.869 744 Q CB -0.510 28.236 28.738 0.012 0.000 0.953 744 Q HN 0.275 nan 8.270 nan 0.000 0.415 745 A N -2.411 120.425 122.820 0.028 0.000 2.547 745 A HA 0.686 5.006 4.320 -0.000 0.000 0.297 745 A C -0.578 177.032 177.584 0.044 0.000 1.056 745 A CA 0.083 52.141 52.037 0.035 0.000 0.688 745 A CB 1.912 20.930 19.000 0.030 0.000 1.282 745 A HN 0.351 nan 8.150 nan 0.000 0.400 746 A N -0.141 122.714 122.820 0.058 0.000 2.552 746 A HA 0.501 4.821 4.320 -0.000 0.000 0.217 746 A C 1.063 178.712 177.584 0.107 0.000 2.789 746 A CA 0.841 52.922 52.037 0.073 0.000 1.616 746 A CB -1.823 17.214 19.000 0.060 0.000 0.181 746 A HN 2.655 nan 8.150 nan 0.000 0.542 747 A N -0.982 121.904 122.820 0.109 0.000 2.387 747 A HA 0.495 4.815 4.320 -0.000 0.000 0.251 747 A C 0.839 178.512 177.584 0.148 0.000 1.113 747 A CA 0.773 52.901 52.037 0.151 0.000 0.794 747 A CB 0.090 19.152 19.000 0.104 0.000 1.069 747 A HN 2.130 nan 8.150 nan 0.000 0.506 748 C N -0.949 118.437 119.300 0.144 0.000 3.330 748 C HA 0.290 4.750 4.460 -0.000 0.000 0.363 748 C C 0.353 175.297 174.990 -0.077 0.000 0.902 748 C CA -0.834 58.197 59.018 0.023 0.000 3.694 748 C CB -2.283 25.476 27.740 0.031 0.000 1.454 748 C HN 1.924 nan 8.230 nan 0.000 0.572 749 A N 5.900 128.478 122.820 -0.403 0.000 2.498 749 A HA 0.596 4.916 4.320 -0.000 0.000 0.239 749 A C -1.612 175.798 177.584 -0.291 0.000 1.068 749 A CA -0.237 51.324 52.037 -0.793 0.000 0.766 749 A CB 0.140 18.579 19.000 -0.935 0.000 1.003 749 A HN 0.636 nan 8.150 nan 0.000 0.497 750 P HA 0.215 nan 4.420 nan 0.000 0.271 750 P C -0.745 176.535 177.300 -0.033 0.000 1.233 750 P CA -0.310 62.774 63.100 -0.026 0.000 0.789 750 P CB 0.312 32.047 31.700 0.057 0.000 0.951 751 D N 0.156 120.558 120.400 0.004 0.000 2.414 751 D HA 0.117 4.757 4.640 -0.000 0.000 0.242 751 D C 0.136 176.471 176.300 0.059 0.000 1.129 751 D CA 0.310 54.322 54.000 0.020 0.000 0.885 751 D CB 0.123 40.939 40.800 0.027 0.000 1.198 751 D HN 0.149 nan 8.370 nan 0.000 0.437 752 L N 2.624 123.898 121.223 0.086 0.000 2.379 752 L HA 0.396 4.736 4.340 -0.000 0.000 0.269 752 L C -1.790 175.185 176.870 0.176 0.000 1.084 752 L CA -1.857 53.089 54.840 0.176 0.000 0.802 752 L CB 0.255 42.467 42.059 0.254 0.000 1.175 752 L HN 0.190 nan 8.230 nan 0.000 0.448 753 P HA 0.171 nan 4.420 nan 0.000 0.268 753 P C -0.622 176.788 177.300 0.183 0.000 1.205 753 P CA -0.377 62.793 63.100 0.116 0.000 0.771 753 P CB 0.619 32.332 31.700 0.022 0.000 0.858 754 A N 3.369 126.271 122.820 0.137 0.000 2.477 754 A HA 0.204 4.524 4.320 -0.000 0.000 0.246 754 A C -0.016 177.692 177.584 0.206 0.000 1.078 754 A CA -0.393 51.752 52.037 0.179 0.000 0.770 754 A CB -0.542 18.531 19.000 0.122 0.000 1.011 754 A HN 0.583 nan 8.150 nan 0.000 0.494 755 F N 3.469 123.514 119.950 0.158 0.000 2.607 755 F HA 0.351 4.878 4.527 -0.000 0.000 0.374 755 F C 0.894 176.729 175.800 0.058 0.000 1.104 755 F CA 1.306 59.391 58.000 0.142 0.000 1.296 755 F CB 0.551 39.659 39.000 0.181 0.000 1.085 755 F HN 0.695 nan 8.300 nan 0.000 0.584 756 S N 5.448 120.724 115.700 -0.708 0.000 2.704 756 S HA 0.517 4.987 4.470 -0.000 0.000 0.296 756 S C -1.395 172.673 174.600 -0.888 0.000 1.138 756 S CA -0.790 57.084 58.200 -0.543 0.000 0.875 756 S CB 1.959 64.981 63.200 -0.297 0.000 1.151 756 S HN 0.904 nan 8.310 nan 0.000 0.500 757 H N -1.074 117.717 119.070 -0.466 0.000 2.894 757 H HA 0.406 4.962 4.556 -0.000 0.000 0.367 757 H C 0.856 176.048 175.328 -0.227 0.000 1.144 757 H CA -0.011 55.827 56.048 -0.350 0.000 1.180 757 H CB 1.826 31.524 29.762 -0.107 0.000 1.758 757 H HN 0.916 nan 8.280 nan 0.000 0.541 758 G N 1.928 110.327 108.800 -0.668 0.000 2.776 758 G HA2 0.264 4.224 3.960 -0.000 0.000 0.209 758 G HA3 0.264 4.224 3.960 -0.000 0.000 0.209 758 G C 0.811 175.610 174.900 -0.169 0.000 1.145 758 G CA 0.657 45.542 45.100 -0.358 0.000 0.791 758 G HN 1.050 nan 8.290 nan 0.000 0.530 759 G N -0.958 107.865 108.800 0.039 0.000 2.645 759 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.239 759 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.239 759 G C -0.254 174.426 174.900 -0.366 0.000 1.331 759 G CA -0.208 44.877 45.100 -0.024 0.000 0.890 759 G HN 0.471 nan 8.290 nan 0.000 0.572 760 F N -0.378 119.649 119.950 0.129 0.000 2.740 760 F HA 0.739 5.266 4.527 -0.000 0.000 0.357 760 F C 1.072 176.913 175.800 0.068 0.000 1.141 760 F CA -0.314 57.745 58.000 0.099 0.000 1.044 760 F CB 1.197 40.248 39.000 0.084 0.000 1.430 760 F HN 0.607 nan 8.300 nan 0.000 0.518 761 S N 0.000 115.857 115.700 0.261 0.000 2.498 761 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 761 S CA 0.000 58.284 58.200 0.140 0.000 1.107 761 S CB 0.000 63.249 63.200 0.082 0.000 0.593 761 S HN 0.000 nan 8.310 nan 0.000 0.517