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 3dsj_1_B DATA FIRST_RESID 52 DATA SEQUENCE LPIRNIPGNY GLPIVGPIKD RWDYFYDQGA EEFFKSRIRK YNSTVYRVNM DATA SEQUENCE PPGAFIAENP QVVALLDGKS FPVLFDVDKV EKKDLLTGTY MPSTELTGGY DATA SEQUENCE RILSYLDPSE PKHEKLKNLL FFLLKSSRNR IFPEFQATYS ELFDSLEKEL DATA SEQUENCE SLKGKADFGG SSDGTAFNFL ARAFYGTNPA DTKLKADAPG LITKWVLFNL DATA SEQUENCE HPLLSIGLPR VIEEPLIHTF SLPPALVKSD YQRLYEFFLE SAGEILVEAD DATA SEQUENCE KLGISREEAT HNLLFATCFN TWGGMKILFP NMVKRIGRAG HQVHNRLAEE DATA SEQUENCE IRSVIKSNGG ELTMGAIEKM ELTKSVVYEC LRFEPPVTAQ YGRAKKDLVI DATA SEQUENCE ESHDAAFKVK AGEMLYGYQP LATRDPKIFD RADEFVPERF VGEEGEKLLR DATA SEQUENCE HVLWSNGPET ETPTVGNKQC AGKDFVVLVA RLFVIEIFRR YDSFDIEVGT DATA SEQUENCE SPLGSSVNFS SLRKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 52 L HA 0.000 nan 4.340 nan 0.000 0.249 52 L C 0.000 176.819 176.870 -0.086 0.000 1.165 52 L CA 0.000 54.804 54.840 -0.060 0.000 0.813 52 L CB 0.000 42.038 42.059 -0.035 0.000 0.961 53 P HA 0.230 nan 4.420 nan 0.000 0.271 53 P C -0.685 176.505 177.300 -0.183 0.000 1.226 53 P CA 0.294 63.328 63.100 -0.110 0.000 0.765 53 P CB 0.572 32.218 31.700 -0.091 0.000 0.835 54 I N 4.285 124.762 120.570 -0.156 0.000 2.452 54 I HA 0.149 4.318 4.170 -0.001 0.000 0.287 54 I C 1.296 177.300 176.117 -0.188 0.000 1.079 54 I CA 0.443 61.626 61.300 -0.195 0.000 1.387 54 I CB 0.109 38.042 38.000 -0.112 0.000 1.404 54 I HN 0.189 nan 8.210 nan 0.000 0.522 55 R N 4.309 124.633 120.500 -0.293 0.000 2.803 55 R HA 0.434 4.773 4.340 -0.001 0.000 0.276 55 R C -0.601 175.713 176.300 0.024 0.000 0.978 55 R CA -1.198 54.812 56.100 -0.150 0.000 0.939 55 R CB 1.272 31.467 30.300 -0.175 0.000 1.179 55 R HN 0.458 nan 8.270 nan 0.000 0.472 56 N N 1.559 120.308 118.700 0.082 0.000 2.454 56 N HA 0.054 4.793 4.740 -0.001 0.000 0.254 56 N C -0.117 175.534 175.510 0.234 0.000 1.228 56 N CA 0.372 53.496 53.050 0.125 0.000 0.900 56 N CB 0.519 39.041 38.487 0.059 0.000 1.089 56 N HN 0.384 nan 8.380 nan 0.000 0.449 57 I N 3.831 124.512 120.570 0.184 0.000 2.452 57 I HA 0.085 4.254 4.170 -0.001 0.000 0.287 57 I C -1.567 174.503 176.117 -0.078 0.000 1.079 57 I CA -1.358 59.970 61.300 0.046 0.000 1.387 57 I CB 0.439 38.395 38.000 -0.074 0.000 1.404 57 I HN 0.272 nan 8.210 nan 0.000 0.522 58 P HA 0.388 nan 4.420 nan 0.000 0.274 58 P C -0.008 176.919 177.300 -0.620 0.000 1.256 58 P CA 0.128 63.053 63.100 -0.292 0.000 0.795 58 P CB 1.004 32.577 31.700 -0.213 0.000 1.038 59 G N 0.234 108.517 108.800 -0.861 0.000 2.619 59 G HA2 0.070 4.030 3.960 -0.001 0.000 0.686 59 G HA3 0.070 4.030 3.960 -0.001 0.000 0.686 59 G C -1.312 173.280 174.900 -0.513 0.000 1.256 59 G CA -0.583 43.925 45.100 -0.987 0.000 0.826 59 G HN 1.030 nan 8.290 nan 0.000 0.619 60 N N -1.050 117.413 118.700 -0.396 0.000 2.610 60 N HA 0.406 5.145 4.740 -0.001 0.000 0.264 60 N C -0.108 175.197 175.510 -0.341 0.000 1.348 60 N CA -1.042 51.776 53.050 -0.386 0.000 0.819 60 N CB 1.156 39.546 38.487 -0.162 0.000 1.521 60 N HN 0.543 nan 8.380 nan 0.000 0.497 61 Y N 0.116 120.411 120.300 -0.009 0.000 2.466 61 Y HA 0.275 4.824 4.550 -0.001 0.000 0.272 61 Y C 1.820 177.711 175.900 -0.015 0.000 1.169 61 Y CA 0.468 58.564 58.100 -0.006 0.000 1.285 61 Y CB 0.032 38.484 38.460 -0.012 0.000 1.078 61 Y HN 0.944 nan 8.280 nan 0.000 0.523 62 G N 1.061 109.911 108.800 0.083 0.000 2.697 62 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.240 62 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.240 62 G C -0.511 174.413 174.900 0.039 0.000 1.346 62 G CA -0.560 44.566 45.100 0.042 0.000 0.887 62 G HN 0.159 nan 8.290 nan 0.000 0.569 63 L N 1.429 122.657 121.223 0.008 0.000 2.452 63 L HA 0.406 4.746 4.340 -0.001 0.000 0.267 63 L C -1.633 175.227 176.870 -0.017 0.000 1.188 63 L CA -1.595 53.243 54.840 -0.004 0.000 0.821 63 L CB 0.434 42.483 42.059 -0.016 0.000 1.102 63 L HN 0.370 nan 8.230 nan 0.000 0.470 64 P HA 0.157 nan 4.420 nan 0.000 0.267 64 P C 0.705 177.963 177.300 -0.070 0.000 1.200 64 P CA 0.054 63.127 63.100 -0.045 0.000 0.772 64 P CB 0.566 32.243 31.700 -0.040 0.000 0.855 65 I N -0.383 120.127 120.570 -0.101 0.000 4.608 65 I HA -0.402 3.767 4.170 -0.001 0.000 0.051 65 I C 1.732 177.759 176.117 -0.151 0.000 0.619 65 I CA 1.660 62.876 61.300 -0.139 0.000 0.844 65 I CB -1.710 36.213 38.000 -0.129 0.000 0.772 65 I HN 0.117 nan 8.210 nan 0.000 0.161 66 V N 1.119 120.959 119.914 -0.124 0.000 2.358 66 V HA -0.195 3.924 4.120 -0.001 0.000 0.246 66 V C 2.469 178.476 176.094 -0.144 0.000 1.047 66 V CA 2.628 64.842 62.300 -0.145 0.000 1.035 66 V CB -1.184 30.580 31.823 -0.098 0.000 0.658 66 V HN 0.705 nan 8.190 nan 0.000 0.452 67 G N 0.785 109.534 108.800 -0.086 0.000 2.480 67 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.216 67 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.216 67 G C -0.174 174.690 174.900 -0.059 0.000 1.200 67 G CA 1.220 46.292 45.100 -0.047 0.000 0.782 67 G HN 0.515 nan 8.290 nan 0.000 0.554 68 P HA -0.059 nan 4.420 nan 0.000 0.216 68 P C 1.919 179.118 177.300 -0.168 0.000 1.150 68 P CA 0.685 63.727 63.100 -0.096 0.000 0.837 68 P CB 0.006 31.634 31.700 -0.120 0.000 0.786 69 I N -0.103 120.311 120.570 -0.260 0.000 2.226 69 I HA -0.211 3.959 4.170 -0.001 0.000 0.245 69 I C 2.279 178.038 176.117 -0.597 0.000 1.100 69 I CA 1.625 62.648 61.300 -0.462 0.000 1.374 69 I CB -1.302 36.346 38.000 -0.587 0.000 1.057 69 I HN 0.047 nan 8.210 nan 0.000 0.413 70 K N 0.789 120.947 120.400 -0.402 0.000 2.057 70 K HA -0.209 4.111 4.320 -0.001 0.000 0.207 70 K C 1.706 178.307 176.600 0.002 0.000 1.049 70 K CA 1.682 57.841 56.287 -0.213 0.000 0.931 70 K CB 0.037 32.476 32.500 -0.101 0.000 0.714 70 K HN 0.187 nan 8.250 nan 0.000 0.440 71 D N 0.011 120.424 120.400 0.021 0.000 2.144 71 D HA -0.155 4.484 4.640 -0.001 0.000 0.200 71 D C 1.919 178.264 176.300 0.076 0.000 0.978 71 D CA 0.798 54.905 54.000 0.179 0.000 0.833 71 D CB -0.072 40.850 40.800 0.204 0.000 0.961 71 D HN 0.232 nan 8.370 nan 0.000 0.470 72 R N -0.187 120.287 120.500 -0.043 0.000 2.092 72 R HA -0.125 4.214 4.340 -0.001 0.000 0.231 72 R C 1.990 178.445 176.300 0.259 0.000 1.119 72 R CA 0.880 56.948 56.100 -0.053 0.000 0.970 72 R CB -0.171 30.130 30.300 0.001 0.000 0.864 72 R HN 0.182 nan 8.270 nan 0.000 0.440 73 W N 1.549 122.945 121.300 0.160 0.000 2.358 73 W HA -0.115 4.545 4.660 -0.001 0.000 0.303 73 W C 1.808 178.446 176.519 0.199 0.000 1.208 73 W CA 0.451 57.974 57.345 0.296 0.000 1.274 73 W CB -1.014 28.599 29.460 0.254 0.000 1.138 73 W HN 0.146 nan 8.180 nan 0.000 0.515 74 D N -1.236 119.383 120.400 0.364 0.000 2.104 74 D HA -0.224 4.415 4.640 -0.001 0.000 0.194 74 D C 1.920 178.275 176.300 0.092 0.000 0.994 74 D CA 1.456 55.616 54.000 0.265 0.000 0.830 74 D CB -0.848 40.168 40.800 0.360 0.000 0.959 74 D HN 0.176 nan 8.370 nan 0.000 0.452 75 Y N -0.218 119.868 120.300 -0.356 0.000 2.145 75 Y HA -0.208 4.341 4.550 -0.001 0.000 0.286 75 Y C 2.078 177.595 175.900 -0.639 0.000 1.145 75 Y CA 1.673 59.231 58.100 -0.904 0.000 1.148 75 Y CB -0.381 37.193 38.460 -1.478 0.000 0.981 75 Y HN -0.063 nan 8.280 nan 0.000 0.507 76 F N -2.818 116.969 119.950 -0.271 0.000 2.317 76 F HA -0.061 4.466 4.527 -0.000 0.000 0.293 76 F C 1.249 176.679 175.800 -0.617 0.000 1.085 76 F CA 0.813 58.467 58.000 -0.577 0.000 1.390 76 F CB -0.092 38.305 39.000 -1.004 0.000 1.077 76 F HN 0.005 nan 8.300 nan 0.000 0.517 77 Y N -1.497 118.929 120.300 0.211 0.000 2.678 77 Y HA 0.068 4.617 4.550 -0.001 0.000 0.274 77 Y C 1.646 177.583 175.900 0.062 0.000 1.114 77 Y CA -0.254 57.911 58.100 0.109 0.000 1.274 77 Y CB -0.078 38.410 38.460 0.047 0.000 1.438 77 Y HN -0.219 nan 8.280 nan 0.000 0.493 78 D N -0.180 120.358 120.400 0.229 0.000 2.333 78 D HA -0.023 4.616 4.640 -0.001 0.000 0.208 78 D C 1.225 177.579 176.300 0.091 0.000 0.984 78 D CA 0.973 55.063 54.000 0.150 0.000 0.873 78 D CB 0.403 41.305 40.800 0.170 0.000 0.935 78 D HN 0.514 nan 8.370 nan 0.000 0.521 79 Q N -0.681 119.157 119.800 0.064 0.000 2.519 79 Q HA 0.334 4.674 4.340 -0.001 0.000 0.248 79 Q C 0.647 176.621 176.000 -0.043 0.000 0.804 79 Q CA 0.377 56.192 55.803 0.021 0.000 0.979 79 Q CB 2.135 30.903 28.738 0.050 0.000 1.282 79 Q HN 0.144 nan 8.270 nan 0.000 0.558 80 G N 0.871 109.590 108.800 -0.136 0.000 2.758 80 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.686 80 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.686 80 G C 0.453 175.108 174.900 -0.407 0.000 1.389 80 G CA -0.175 44.768 45.100 -0.262 0.000 0.845 80 G HN 0.326 nan 8.290 nan 0.000 0.572 81 A N -0.064 122.391 122.820 -0.609 0.000 1.883 81 A HA -0.022 4.298 4.320 -0.001 0.000 0.217 81 A C 2.177 179.578 177.584 -0.306 0.000 1.186 81 A CA 2.526 54.128 52.037 -0.726 0.000 0.624 81 A CB -0.557 18.121 19.000 -0.537 0.000 0.822 81 A HN 1.185 nan 8.150 nan 0.000 0.444 82 E N -0.709 119.437 120.200 -0.090 0.000 2.051 82 E HA -0.271 4.078 4.350 -0.001 0.000 0.192 82 E C 2.016 178.656 176.600 0.068 0.000 0.991 82 E CA 1.572 58.016 56.400 0.073 0.000 0.799 82 E CB -0.122 29.678 29.700 0.166 0.000 0.748 82 E HN 0.579 nan 8.360 nan 0.000 0.449 83 E N -0.002 120.206 120.200 0.013 0.000 2.106 83 E HA -0.167 4.183 4.350 -0.001 0.000 0.192 83 E C 1.702 178.295 176.600 -0.012 0.000 0.984 83 E CA 0.908 57.316 56.400 0.013 0.000 0.806 83 E CB -0.512 29.190 29.700 0.003 0.000 0.750 83 E HN 0.363 nan 8.360 nan 0.000 0.458 84 F N -0.097 119.696 119.950 -0.261 0.000 2.065 84 F HA -0.244 4.282 4.527 -0.001 0.000 0.298 84 F C 1.580 177.206 175.800 -0.290 0.000 1.112 84 F CA 1.800 59.581 58.000 -0.364 0.000 1.212 84 F CB -0.377 38.254 39.000 -0.615 0.000 0.975 84 F HN 0.067 nan 8.300 nan 0.000 0.476 85 F N 0.629 120.622 119.950 0.072 0.000 2.187 85 F HA -0.019 4.508 4.527 -0.001 0.000 0.295 85 F C 2.345 178.199 175.800 0.089 0.000 1.091 85 F CA 1.293 59.349 58.000 0.093 0.000 1.308 85 F CB -1.046 38.007 39.000 0.088 0.000 1.030 85 F HN -0.165 nan 8.300 nan 0.000 0.487 86 K N 0.325 120.861 120.400 0.225 0.000 2.057 86 K HA -0.155 4.164 4.320 -0.001 0.000 0.207 86 K C 2.290 178.913 176.600 0.037 0.000 1.049 86 K CA 1.769 58.143 56.287 0.145 0.000 0.931 86 K CB -0.502 32.067 32.500 0.115 0.000 0.714 86 K HN 0.322 nan 8.250 nan 0.000 0.440 87 S N 1.042 116.714 115.700 -0.047 0.000 2.399 87 S HA -0.137 4.332 4.470 -0.001 0.000 0.231 87 S C 1.962 176.409 174.600 -0.255 0.000 1.022 87 S CA 0.883 59.002 58.200 -0.134 0.000 0.983 87 S CB -0.185 62.923 63.200 -0.153 0.000 0.803 87 S HN 0.248 nan 8.310 nan 0.000 0.480 88 R N 0.463 120.766 120.500 -0.327 0.000 2.153 88 R HA 0.335 4.675 4.340 -0.001 0.000 0.218 88 R C 2.222 178.250 176.300 -0.455 0.000 1.072 88 R CA 0.990 56.705 56.100 -0.642 0.000 0.990 88 R CB -0.430 29.338 30.300 -0.887 0.000 0.889 88 R HN 0.441 nan 8.270 nan 0.000 0.452 89 I N 0.659 121.229 120.570 -0.001 0.000 2.163 89 I HA -0.321 3.849 4.170 -0.001 0.000 0.243 89 I C 2.312 178.449 176.117 0.033 0.000 1.085 89 I CA 1.526 62.933 61.300 0.178 0.000 1.347 89 I CB -0.215 37.926 38.000 0.235 0.000 1.044 89 I HN 0.156 nan 8.210 nan 0.000 0.408 90 R N 0.572 121.045 120.500 -0.045 0.000 2.066 90 R HA -0.177 4.162 4.340 -0.001 0.000 0.232 90 R C 2.374 178.589 176.300 -0.141 0.000 1.131 90 R CA 1.227 57.288 56.100 -0.065 0.000 0.955 90 R CB -0.343 29.917 30.300 -0.066 0.000 0.851 90 R HN 0.297 nan 8.270 nan 0.000 0.432 91 K N 0.149 120.363 120.400 -0.310 0.000 2.063 91 K HA -0.176 4.143 4.320 -0.001 0.000 0.208 91 K C 1.264 177.641 176.600 -0.371 0.000 1.048 91 K CA 1.570 57.586 56.287 -0.452 0.000 0.928 91 K CB 0.022 32.032 32.500 -0.815 0.000 0.713 91 K HN 0.166 nan 8.250 nan 0.000 0.442 92 Y N 0.057 120.269 120.300 -0.146 0.000 2.462 92 Y HA 0.175 4.724 4.550 -0.001 0.000 0.261 92 Y C 0.027 175.925 175.900 -0.003 0.000 1.146 92 Y CA -0.022 58.022 58.100 -0.094 0.000 1.283 92 Y CB -0.256 38.115 38.460 -0.148 0.000 1.090 92 Y HN 0.203 nan 8.280 nan 0.000 0.526 93 N N -0.104 118.669 118.700 0.121 0.000 2.735 93 N HA -0.204 4.535 4.740 -0.001 0.000 0.248 93 N C -0.492 175.125 175.510 0.178 0.000 1.083 93 N CA 0.860 53.982 53.050 0.120 0.000 0.703 93 N CB -1.012 37.531 38.487 0.093 0.000 1.005 93 N HN 0.142 nan 8.380 nan 0.000 0.550 94 S N -1.635 114.206 115.700 0.234 0.000 2.533 94 S HA 0.483 4.952 4.470 -0.001 0.000 0.271 94 S C 0.750 175.530 174.600 0.300 0.000 1.143 94 S CA -0.146 58.214 58.200 0.267 0.000 0.891 94 S CB 1.282 64.638 63.200 0.260 0.000 1.105 94 S HN 0.277 nan 8.310 nan 0.000 0.468 95 T N 0.445 115.124 114.554 0.209 0.000 3.107 95 T HA 0.330 4.679 4.350 -0.001 0.000 0.249 95 T C 0.133 174.794 174.700 -0.065 0.000 1.096 95 T CA 0.003 62.185 62.100 0.138 0.000 1.012 95 T CB -0.204 68.751 68.868 0.145 0.000 0.977 95 T HN 0.312 nan 8.240 nan 0.000 0.527 96 V N 2.646 122.456 119.914 -0.174 0.000 2.483 96 V HA 0.702 4.822 4.120 -0.001 0.000 0.297 96 V C -1.056 174.789 176.094 -0.414 0.000 1.027 96 V CA -1.171 60.832 62.300 -0.494 0.000 0.855 96 V CB 0.963 32.230 31.823 -0.925 0.000 0.995 96 V HN 0.608 nan 8.190 nan 0.000 0.424 97 Y N 2.241 122.369 120.300 -0.287 0.000 2.677 97 Y HA 0.714 5.263 4.550 -0.001 0.000 0.334 97 Y C -0.703 175.057 175.900 -0.233 0.000 1.196 97 Y CA -1.785 56.125 58.100 -0.316 0.000 1.059 97 Y CB 1.131 39.413 38.460 -0.297 0.000 1.315 97 Y HN 0.452 nan 8.280 nan 0.000 0.455 98 R N 1.485 121.935 120.500 -0.083 0.000 2.390 98 R HA 0.712 5.052 4.340 -0.001 0.000 0.291 98 R C -1.275 175.029 176.300 0.007 0.000 1.070 98 R CA -0.887 55.127 56.100 -0.144 0.000 1.014 98 R CB 1.732 31.677 30.300 -0.592 0.000 1.007 98 R HN 0.650 nan 8.270 nan 0.000 0.466 99 V N 2.714 122.771 119.914 0.238 0.000 3.147 99 V HA 0.216 4.336 4.120 -0.001 0.000 0.299 99 V C -1.312 175.039 176.094 0.428 0.000 1.302 99 V CA -0.948 61.546 62.300 0.323 0.000 1.015 99 V CB 2.770 34.855 31.823 0.436 0.000 1.086 99 V HN 0.848 nan 8.190 nan 0.000 0.437 100 N N 5.186 124.100 118.700 0.356 0.000 2.514 100 N HA 0.539 5.278 4.740 -0.001 0.000 0.277 100 N C -0.612 174.952 175.510 0.090 0.000 1.126 100 N CA -0.391 52.775 53.050 0.194 0.000 0.978 100 N CB 0.686 39.241 38.487 0.115 0.000 1.106 100 N HN 0.493 nan 8.380 nan 0.000 0.461 101 M N 2.056 121.625 119.600 -0.053 0.000 2.578 101 M HA 0.479 4.959 4.480 -0.001 0.000 0.321 101 M C -2.310 173.799 176.300 -0.319 0.000 1.182 101 M CA -2.596 52.552 55.300 -0.253 0.000 0.965 101 M CB 1.054 33.528 32.600 -0.211 0.000 1.694 101 M HN 0.292 nan 8.290 nan 0.000 0.461 102 P HA 0.216 nan 4.420 nan 0.000 0.272 102 P C -2.091 175.078 177.300 -0.218 0.000 1.240 102 P CA -0.707 62.150 63.100 -0.404 0.000 0.791 102 P CB -0.101 31.234 31.700 -0.609 0.000 0.978 103 P HA 0.037 nan 4.420 nan 0.000 0.239 103 P C 0.909 178.114 177.300 -0.157 0.000 1.188 103 P CA 0.851 63.847 63.100 -0.173 0.000 0.794 103 P CB -0.056 31.484 31.700 -0.265 0.000 0.937 104 G N 1.134 109.843 108.800 -0.153 0.000 2.634 104 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.309 104 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.309 104 G C 0.830 175.609 174.900 -0.202 0.000 1.265 104 G CA 1.359 46.362 45.100 -0.163 0.000 0.998 104 G HN 0.614 nan 8.290 nan 0.000 0.551 105 A N -2.680 119.973 122.820 -0.278 0.000 5.395 105 A HA -0.122 4.197 4.320 -0.001 0.000 0.324 105 A C 1.208 178.463 177.584 -0.550 0.000 1.813 105 A CA 3.262 55.019 52.037 -0.466 0.000 0.714 105 A CB -1.335 17.449 19.000 -0.360 0.000 1.374 105 A HN 1.883 nan 8.150 nan 0.000 0.390 106 F N -0.066 119.710 119.950 -0.291 0.000 2.727 106 F HA 0.388 4.914 4.527 -0.001 0.000 0.302 106 F C 1.812 177.522 175.800 -0.149 0.000 1.097 106 F CA 0.636 58.480 58.000 -0.260 0.000 1.330 106 F CB 0.067 38.778 39.000 -0.482 0.000 1.084 106 F HN 0.330 nan 8.300 nan 0.000 0.578 107 I N -0.769 119.783 120.570 -0.030 0.000 2.810 107 I HA 0.144 4.313 4.170 -0.001 0.000 0.262 107 I C 1.174 177.288 176.117 -0.005 0.000 1.131 107 I CA 0.194 61.472 61.300 -0.035 0.000 1.453 107 I CB -0.107 37.779 38.000 -0.191 0.000 1.161 107 I HN -0.054 nan 8.210 nan 0.000 0.444 108 A N 1.417 124.212 122.820 -0.042 0.000 2.304 108 A HA 0.314 4.633 4.320 -0.001 0.000 0.323 108 A C 1.065 178.630 177.584 -0.031 0.000 1.195 108 A CA -0.553 51.484 52.037 -0.001 0.000 0.826 108 A CB 0.681 19.674 19.000 -0.012 0.000 1.184 108 A HN 0.278 nan 8.150 nan 0.000 0.496 109 E N 2.127 122.319 120.200 -0.013 0.000 2.077 109 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 109 E C -0.040 176.525 176.600 -0.059 0.000 0.989 109 E CA 1.336 57.720 56.400 -0.027 0.000 0.800 109 E CB -0.050 29.641 29.700 -0.015 0.000 0.746 109 E HN 0.488 nan 8.360 nan 0.000 0.452 110 N N 0.704 119.366 118.700 -0.065 0.000 2.558 110 N HA 0.184 4.923 4.740 -0.001 0.000 0.285 110 N C -2.420 173.030 175.510 -0.099 0.000 1.112 110 N CA -1.858 51.135 53.050 -0.095 0.000 0.857 110 N CB 2.015 40.448 38.487 -0.091 0.000 1.376 110 N HN -0.192 nan 8.380 nan 0.000 0.526 111 P HA 0.044 nan 4.420 nan 0.000 0.249 111 P C -0.442 176.790 177.300 -0.113 0.000 1.229 111 P CA 0.403 63.440 63.100 -0.106 0.000 0.788 111 P CB 0.541 32.172 31.700 -0.114 0.000 1.072 112 Q N 0.953 120.610 119.800 -0.238 0.000 2.288 112 Q HA 0.363 4.703 4.340 -0.001 0.000 0.258 112 Q C 0.225 176.151 176.000 -0.123 0.000 0.957 112 Q CA -0.296 55.245 55.803 -0.437 0.000 0.919 112 Q CB 1.637 29.738 28.738 -1.060 0.000 1.185 112 Q HN 0.030 nan 8.270 nan 0.000 0.408 113 V N -0.613 119.373 119.914 0.120 0.000 3.141 113 V HA 0.684 4.803 4.120 -0.001 0.000 0.312 113 V C -0.611 175.616 176.094 0.221 0.000 1.157 113 V CA -0.994 61.402 62.300 0.160 0.000 1.041 113 V CB 2.111 34.024 31.823 0.150 0.000 1.071 113 V HN 0.417 nan 8.190 nan 0.000 0.441 114 V N 2.231 122.213 119.914 0.113 0.000 2.347 114 V HA 0.770 4.890 4.120 -0.001 0.000 0.280 114 V C 0.708 176.776 176.094 -0.044 0.000 1.021 114 V CA 0.123 62.434 62.300 0.017 0.000 0.847 114 V CB 0.918 32.723 31.823 -0.030 0.000 0.990 114 V HN 1.344 nan 8.190 nan 0.000 0.444 115 A N 6.688 129.435 122.820 -0.122 0.000 2.328 115 A HA 0.785 5.105 4.320 -0.001 0.000 0.284 115 A C -0.469 176.915 177.584 -0.332 0.000 1.160 115 A CA -0.354 51.585 52.037 -0.164 0.000 0.818 115 A CB 0.270 19.132 19.000 -0.230 0.000 1.087 115 A HN 0.828 nan 8.150 nan 0.000 0.504 116 L N 3.528 124.578 121.223 -0.289 0.000 2.295 116 L HA 0.380 4.720 4.340 -0.001 0.000 0.281 116 L C -0.442 176.351 176.870 -0.129 0.000 1.018 116 L CA -0.022 54.673 54.840 -0.240 0.000 0.841 116 L CB 0.939 42.834 42.059 -0.273 0.000 1.218 116 L HN 0.680 nan 8.230 nan 0.000 0.424 117 L N 3.064 124.234 121.223 -0.088 0.000 3.255 117 L HA 0.320 4.659 4.340 -0.001 0.000 0.293 117 L C -0.775 176.138 176.870 0.072 0.000 1.302 117 L CA -0.264 54.575 54.840 -0.002 0.000 0.977 117 L CB 0.103 42.151 42.059 -0.019 0.000 1.390 117 L HN 0.656 nan 8.230 nan 0.000 0.588 118 D N -2.844 117.605 120.400 0.081 0.000 2.583 118 D HA 0.363 5.003 4.640 -0.001 0.000 0.248 118 D C 0.884 177.234 176.300 0.083 0.000 1.209 118 D CA -0.517 53.552 54.000 0.115 0.000 0.848 118 D CB 1.323 42.219 40.800 0.160 0.000 1.431 118 D HN -0.087 nan 8.370 nan 0.000 0.436 119 G N -0.474 108.387 108.800 0.101 0.000 2.744 119 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.211 119 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.211 119 G C 1.061 175.983 174.900 0.037 0.000 1.143 119 G CA 0.424 45.568 45.100 0.074 0.000 0.788 119 G HN 0.458 nan 8.290 nan 0.000 0.534 120 K N 0.737 121.057 120.400 -0.135 0.000 2.128 120 K HA -0.011 4.308 4.320 -0.001 0.000 0.202 120 K C 2.766 179.314 176.600 -0.086 0.000 1.050 120 K CA 1.198 57.378 56.287 -0.179 0.000 0.966 120 K CB 0.053 32.261 32.500 -0.487 0.000 0.759 120 K HN 0.342 nan 8.250 nan 0.000 0.454 121 S N -0.011 115.642 115.700 -0.079 0.000 2.406 121 S HA -0.095 4.375 4.470 -0.001 0.000 0.224 121 S C 1.888 176.443 174.600 -0.075 0.000 1.030 121 S CA 0.282 58.448 58.200 -0.058 0.000 0.958 121 S CB -0.678 62.492 63.200 -0.050 0.000 0.811 121 S HN 0.346 nan 8.310 nan 0.000 0.489 122 F N 4.070 123.901 119.950 -0.199 0.000 2.115 122 F HA -0.011 4.515 4.527 -0.001 0.000 0.300 122 F C -1.175 174.333 175.800 -0.487 0.000 1.092 122 F CA 1.380 59.205 58.000 -0.291 0.000 1.245 122 F CB -1.132 37.737 39.000 -0.219 0.000 0.995 122 F HN 0.229 nan 8.300 nan 0.000 0.481 123 P HA -0.159 nan 4.420 nan 0.000 0.226 123 P C 1.950 178.964 177.300 -0.476 0.000 1.146 123 P CA 1.030 63.824 63.100 -0.509 0.000 0.773 123 P CB -0.196 31.511 31.700 0.012 0.000 0.772 124 V N -0.361 119.358 119.914 -0.325 0.000 2.546 124 V HA -0.239 3.880 4.120 -0.001 0.000 0.254 124 V C 1.821 177.727 176.094 -0.312 0.000 1.076 124 V CA 1.705 63.861 62.300 -0.240 0.000 1.087 124 V CB -0.992 30.723 31.823 -0.180 0.000 0.674 124 V HN 0.065 nan 8.190 nan 0.000 0.470 125 L N -0.901 119.980 121.223 -0.570 0.000 2.456 125 L HA -0.050 4.290 4.340 -0.001 0.000 0.224 125 L C 1.939 178.671 176.870 -0.229 0.000 1.148 125 L CA 0.912 55.451 54.840 -0.502 0.000 0.825 125 L CB -0.458 41.129 42.059 -0.787 0.000 0.937 125 L HN 0.355 nan 8.230 nan 0.000 0.450 126 F N -1.621 118.291 119.950 -0.064 0.000 2.698 126 F HA 0.114 4.641 4.527 -0.001 0.000 0.295 126 F C 1.083 176.869 175.800 -0.024 0.000 1.124 126 F CA -0.760 57.225 58.000 -0.025 0.000 1.426 126 F CB -0.400 38.602 39.000 0.003 0.000 1.120 126 F HN -0.080 nan 8.300 nan 0.000 0.583 127 D N 1.242 121.701 120.400 0.098 0.000 2.365 127 D HA 0.116 4.756 4.640 -0.001 0.000 0.237 127 D C 1.450 177.766 176.300 0.027 0.000 1.190 127 D CA 0.081 54.117 54.000 0.060 0.000 0.867 127 D CB 1.388 42.203 40.800 0.025 0.000 1.050 127 D HN 0.090 nan 8.370 nan 0.000 0.491 128 V N 1.526 121.458 119.914 0.030 0.000 2.867 128 V HA -0.142 3.977 4.120 -0.001 0.000 0.260 128 V C 1.194 177.287 176.094 -0.002 0.000 1.099 128 V CA 1.282 63.585 62.300 0.006 0.000 1.122 128 V CB -0.218 31.604 31.823 -0.002 0.000 0.708 128 V HN 0.279 nan 8.190 nan 0.000 0.490 129 D N 0.719 121.121 120.400 0.004 0.000 2.224 129 D HA -0.032 4.608 4.640 -0.001 0.000 0.205 129 D C 2.161 178.457 176.300 -0.006 0.000 0.965 129 D CA 1.344 55.344 54.000 -0.000 0.000 0.852 129 D CB 0.043 40.846 40.800 0.004 0.000 0.947 129 D HN 0.568 nan 8.370 nan 0.000 0.494 130 K N -0.118 120.276 120.400 -0.010 0.000 2.287 130 K HA 0.106 4.425 4.320 -0.001 0.000 0.199 130 K C 0.619 177.204 176.600 -0.024 0.000 1.061 130 K CA 0.237 56.513 56.287 -0.019 0.000 0.976 130 K CB 1.185 33.667 32.500 -0.029 0.000 0.898 130 K HN 0.013 nan 8.250 nan 0.000 0.492 131 V N -0.185 119.713 119.914 -0.026 0.000 2.555 131 V HA 0.388 4.508 4.120 -0.001 0.000 0.302 131 V C -0.654 175.430 176.094 -0.017 0.000 1.038 131 V CA -1.106 61.178 62.300 -0.026 0.000 0.887 131 V CB 1.887 33.685 31.823 -0.041 0.000 0.991 131 V HN 0.088 nan 8.190 nan 0.000 0.434 132 E N 2.867 123.058 120.200 -0.013 0.000 2.331 132 E HA 0.332 4.681 4.350 -0.001 0.000 0.272 132 E C -0.503 176.092 176.600 -0.008 0.000 1.036 132 E CA -0.621 55.770 56.400 -0.015 0.000 0.864 132 E CB 0.850 30.544 29.700 -0.011 0.000 1.035 132 E HN 0.657 nan 8.360 nan 0.000 0.408 133 K N 4.182 124.572 120.400 -0.018 0.000 3.205 133 K HA 0.177 4.497 4.320 -0.001 0.000 0.202 133 K C -0.836 175.760 176.600 -0.006 0.000 1.160 133 K CA -0.234 56.049 56.287 -0.006 0.000 0.995 133 K CB 0.593 33.084 32.500 -0.014 0.000 1.041 133 K HN 0.318 nan 8.250 nan 0.000 0.507 134 K N 1.529 121.931 120.400 0.002 0.000 2.307 134 K HA 0.123 4.442 4.320 -0.001 0.000 0.263 134 K C -0.773 175.843 176.600 0.028 0.000 0.973 134 K CA -0.149 56.145 56.287 0.012 0.000 0.846 134 K CB 0.709 33.207 32.500 -0.004 0.000 1.100 134 K HN 0.140 nan 8.250 nan 0.000 0.438 135 D N 2.915 123.364 120.400 0.082 0.000 2.870 135 D HA -0.156 4.483 4.640 -0.001 0.000 0.228 135 D C 0.009 176.348 176.300 0.065 0.000 1.147 135 D CA 1.316 55.370 54.000 0.090 0.000 0.757 135 D CB -0.935 39.846 40.800 -0.032 0.000 1.091 135 D HN 0.492 nan 8.370 nan 0.000 0.429 136 L N -3.470 117.793 121.223 0.067 0.000 3.333 136 L HA 0.386 4.725 4.340 -0.001 0.000 0.299 136 L C 1.430 178.275 176.870 -0.042 0.000 1.256 136 L CA -0.383 54.431 54.840 -0.044 0.000 1.037 136 L CB -0.447 41.588 42.059 -0.040 0.000 1.423 136 L HN 0.002 nan 8.230 nan 0.000 0.605 137 L N 1.337 122.542 121.223 -0.031 0.000 2.081 137 L HA -0.132 4.208 4.340 -0.001 0.000 0.212 137 L C 2.155 179.034 176.870 0.015 0.000 1.080 137 L CA 2.744 57.529 54.840 -0.091 0.000 0.754 137 L CB -0.443 41.316 42.059 -0.499 0.000 0.893 137 L HN 0.686 nan 8.230 nan 0.000 0.433 138 T N -3.811 110.706 114.554 -0.061 0.000 3.105 138 T HA 0.612 4.962 4.350 -0.001 0.000 0.253 138 T C 0.903 175.430 174.700 -0.287 0.000 1.047 138 T CA 0.181 62.224 62.100 -0.095 0.000 0.944 138 T CB 0.102 68.830 68.868 -0.233 0.000 1.016 138 T HN 0.755 nan 8.240 nan 0.000 0.544 139 G N 2.049 110.500 108.800 -0.582 0.000 2.594 139 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.217 139 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.217 139 G C 0.766 175.220 174.900 -0.743 0.000 1.163 139 G CA 0.392 44.651 45.100 -1.402 0.000 1.074 139 G HN 0.874 nan 8.290 nan 0.000 0.589 140 T N -0.779 113.521 114.554 -0.423 0.000 3.169 140 T HA 0.500 4.850 4.350 -0.001 0.000 0.250 140 T C 0.516 175.221 174.700 0.008 0.000 1.111 140 T CA 1.525 63.540 62.100 -0.141 0.000 1.010 140 T CB -0.451 68.388 68.868 -0.048 0.000 0.984 140 T HN 1.671 nan 8.240 nan 0.000 0.537 141 Y N -0.791 119.423 120.300 -0.144 0.000 2.609 141 Y HA 0.776 5.326 4.550 -0.001 0.000 0.342 141 Y C -0.929 174.933 175.900 -0.064 0.000 1.058 141 Y CA -2.197 55.851 58.100 -0.087 0.000 1.055 141 Y CB 1.770 40.188 38.460 -0.069 0.000 1.292 141 Y HN 0.020 nan 8.280 nan 0.000 0.476 142 M N 3.797 123.245 119.600 -0.253 0.000 2.326 142 M HA 0.578 5.058 4.480 -0.001 0.000 0.306 142 M C -2.935 173.261 176.300 -0.174 0.000 1.054 142 M CA -1.995 53.083 55.300 -0.372 0.000 0.922 142 M CB 2.151 34.566 32.600 -0.308 0.000 1.632 142 M HN 0.570 nan 8.290 nan 0.000 0.436 143 P HA 0.052 nan 4.420 nan 0.000 0.269 143 P C -0.895 176.371 177.300 -0.056 0.000 1.209 143 P CA -0.058 63.066 63.100 0.041 0.000 0.776 143 P CB 0.677 32.422 31.700 0.074 0.000 0.876 144 S N 0.929 116.645 115.700 0.027 0.000 2.558 144 S HA -0.010 4.459 4.470 -0.001 0.000 0.293 144 S C 1.509 176.071 174.600 -0.064 0.000 1.292 144 S CA 0.411 58.602 58.200 -0.014 0.000 1.063 144 S CB -0.273 62.950 63.200 0.039 0.000 0.831 144 S HN 0.633 nan 8.310 nan 0.000 0.499 145 T N 1.893 116.378 114.554 -0.114 0.000 3.025 145 T HA -0.010 4.340 4.350 -0.001 0.000 0.270 145 T C 1.106 175.740 174.700 -0.110 0.000 1.126 145 T CA 0.743 62.764 62.100 -0.131 0.000 1.105 145 T CB -0.249 68.523 68.868 -0.159 0.000 0.884 145 T HN 0.650 nan 8.240 nan 0.000 0.522 146 E N 1.316 121.469 120.200 -0.077 0.000 2.338 146 E HA 0.087 4.437 4.350 -0.001 0.000 0.197 146 E C 1.872 178.417 176.600 -0.091 0.000 1.007 146 E CA 0.431 56.783 56.400 -0.080 0.000 0.849 146 E CB -0.401 29.275 29.700 -0.039 0.000 0.774 146 E HN 0.570 nan 8.360 nan 0.000 0.506 147 L N 0.456 121.666 121.223 -0.021 0.000 2.492 147 L HA 0.009 4.348 4.340 -0.001 0.000 0.223 147 L C 1.123 177.980 176.870 -0.021 0.000 1.132 147 L CA 1.120 55.999 54.840 0.064 0.000 0.850 147 L CB 0.007 42.198 42.059 0.220 0.000 0.966 147 L HN 0.058 nan 8.230 nan 0.000 0.454 148 T N -4.404 110.095 114.554 -0.092 0.000 3.533 148 T HA 0.408 4.757 4.350 -0.001 0.000 0.275 148 T C 0.987 175.515 174.700 -0.287 0.000 1.000 148 T CA 0.075 62.157 62.100 -0.029 0.000 1.015 148 T CB 0.665 69.643 68.868 0.184 0.000 1.153 148 T HN 0.248 nan 8.240 nan 0.000 0.504 149 G N 0.563 109.088 108.800 -0.457 0.000 2.168 149 G HA2 0.079 4.039 3.960 -0.001 0.000 0.257 149 G HA3 0.079 4.039 3.960 -0.001 0.000 0.257 149 G C 1.202 175.919 174.900 -0.305 0.000 0.997 149 G CA 0.508 45.280 45.100 -0.546 0.000 0.708 149 G HN 2.010 nan 8.290 nan 0.000 0.520 150 G N -2.601 106.041 108.800 -0.264 0.000 2.176 150 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.253 150 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.253 150 G C 0.272 174.927 174.900 -0.408 0.000 0.979 150 G CA 0.786 45.697 45.100 -0.315 0.000 0.641 150 G HN 1.278 nan 8.290 nan 0.000 0.530 151 Y N 0.382 120.572 120.300 -0.183 0.000 2.352 151 Y HA 0.645 5.195 4.550 -0.001 0.000 0.326 151 Y C 1.246 177.066 175.900 -0.134 0.000 1.166 151 Y CA -0.830 57.197 58.100 -0.123 0.000 1.182 151 Y CB 0.927 39.337 38.460 -0.084 0.000 1.216 151 Y HN 0.038 nan 8.280 nan 0.000 0.474 152 R N 3.184 123.710 120.500 0.043 0.000 2.210 152 R HA 0.269 4.609 4.340 -0.001 0.000 0.338 152 R C -0.683 175.647 176.300 0.049 0.000 1.062 152 R CA -0.402 55.682 56.100 -0.027 0.000 0.902 152 R CB 0.171 30.446 30.300 -0.042 0.000 1.050 152 R HN 0.455 nan 8.270 nan 0.000 0.461 153 I N 3.687 124.269 120.570 0.020 0.000 2.779 153 I HA -0.125 4.044 4.170 -0.001 0.000 0.285 153 I C 1.913 177.987 176.117 -0.070 0.000 1.134 153 I CA -0.074 61.178 61.300 -0.079 0.000 1.398 153 I CB 0.444 38.200 38.000 -0.407 0.000 1.404 153 I HN 0.592 nan 8.210 nan 0.000 0.587 154 L N 4.698 125.858 121.223 -0.104 0.000 2.030 154 L HA -0.306 4.033 4.340 -0.001 0.000 0.222 154 L C 2.346 179.176 176.870 -0.066 0.000 1.082 154 L CA 2.174 56.970 54.840 -0.072 0.000 0.785 154 L CB -0.783 41.210 42.059 -0.111 0.000 0.895 154 L HN 0.734 nan 8.230 nan 0.000 0.439 155 S N -1.805 113.768 115.700 -0.212 0.000 2.465 155 S HA -0.155 4.315 4.470 -0.001 0.000 0.241 155 S C 1.445 175.847 174.600 -0.330 0.000 1.000 155 S CA 1.231 59.279 58.200 -0.252 0.000 0.964 155 S CB -0.499 62.505 63.200 -0.326 0.000 0.763 155 S HN 0.619 nan 8.310 nan 0.000 0.512 156 Y N 0.819 121.036 120.300 -0.139 0.000 2.466 156 Y HA 0.349 4.898 4.550 -0.001 0.000 0.272 156 Y C 0.554 176.417 175.900 -0.062 0.000 1.169 156 Y CA -0.205 57.828 58.100 -0.112 0.000 1.285 156 Y CB -0.107 38.256 38.460 -0.162 0.000 1.078 156 Y HN 0.116 nan 8.280 nan 0.000 0.523 157 L N 0.763 122.042 121.223 0.095 0.000 2.292 157 L HA 0.225 4.565 4.340 -0.001 0.000 0.284 157 L C -0.146 176.719 176.870 -0.008 0.000 1.065 157 L CA -0.607 54.280 54.840 0.077 0.000 0.806 157 L CB 0.911 43.049 42.059 0.132 0.000 1.175 157 L HN 0.027 nan 8.230 nan 0.000 0.431 158 D N 3.704 124.072 120.400 -0.053 0.000 2.372 158 D HA 0.120 4.760 4.640 -0.001 0.000 0.243 158 D C -1.684 174.443 176.300 -0.287 0.000 1.121 158 D CA -1.235 52.680 54.000 -0.142 0.000 0.898 158 D CB 1.407 42.161 40.800 -0.077 0.000 1.202 158 D HN 0.236 nan 8.370 nan 0.000 0.428 159 P HA -0.125 nan 4.420 nan 0.000 0.221 159 P C 0.937 178.157 177.300 -0.133 0.000 1.145 159 P CA 0.893 63.694 63.100 -0.499 0.000 0.795 159 P CB -0.007 31.487 31.700 -0.345 0.000 0.775 160 S N -1.404 114.242 115.700 -0.089 0.000 2.474 160 S HA -0.102 4.367 4.470 -0.001 0.000 0.235 160 S C 0.736 175.334 174.600 -0.003 0.000 0.997 160 S CA 0.468 58.651 58.200 -0.029 0.000 0.949 160 S CB -0.921 62.263 63.200 -0.026 0.000 0.766 160 S HN 0.239 nan 8.310 nan 0.000 0.517 161 E N 2.491 122.692 120.200 0.002 0.000 2.223 161 E HA 0.187 4.536 4.350 -0.001 0.000 0.282 161 E C -1.913 174.726 176.600 0.066 0.000 1.046 161 E CA -2.274 54.145 56.400 0.033 0.000 0.857 161 E CB 0.859 30.582 29.700 0.038 0.000 1.055 161 E HN 0.187 nan 8.360 nan 0.000 0.409 162 P HA -0.211 nan 4.420 nan 0.000 0.217 162 P C 1.027 178.358 177.300 0.052 0.000 1.148 162 P CA 1.122 64.252 63.100 0.049 0.000 0.828 162 P CB 0.272 31.991 31.700 0.031 0.000 0.783 163 K N -1.351 119.080 120.400 0.052 0.000 2.283 163 K HA -0.163 4.156 4.320 -0.001 0.000 0.202 163 K C 2.025 178.643 176.600 0.030 0.000 1.048 163 K CA 1.032 57.340 56.287 0.035 0.000 0.948 163 K CB -0.832 31.692 32.500 0.040 0.000 0.742 163 K HN 0.352 nan 8.250 nan 0.000 0.458 164 H N 1.272 120.330 119.070 -0.020 0.000 2.321 164 H HA -0.098 4.457 4.556 -0.001 0.000 0.300 164 H C 2.111 177.410 175.328 -0.047 0.000 1.087 164 H CA 2.250 58.277 56.048 -0.035 0.000 1.319 164 H CB 0.161 29.910 29.762 -0.022 0.000 1.379 164 H HN 0.311 nan 8.280 nan 0.000 0.501 165 E N 0.419 120.623 120.200 0.007 0.000 2.051 165 E HA -0.209 4.141 4.350 -0.001 0.000 0.192 165 E C 2.045 178.588 176.600 -0.094 0.000 0.991 165 E CA 1.291 57.667 56.400 -0.039 0.000 0.799 165 E CB 0.033 29.763 29.700 0.050 0.000 0.748 165 E HN 0.507 nan 8.360 nan 0.000 0.449 166 K N 0.147 120.510 120.400 -0.062 0.000 2.032 166 K HA -0.143 4.177 4.320 -0.001 0.000 0.209 166 K C 2.311 178.843 176.600 -0.114 0.000 1.048 166 K CA 1.499 57.745 56.287 -0.067 0.000 0.927 166 K CB -0.157 32.318 32.500 -0.043 0.000 0.712 166 K HN 0.215 nan 8.250 nan 0.000 0.441 167 L N 0.753 121.889 121.223 -0.145 0.000 2.109 167 L HA -0.118 4.221 4.340 -0.001 0.000 0.207 167 L C 2.532 179.244 176.870 -0.263 0.000 1.086 167 L CA 1.005 55.744 54.840 -0.169 0.000 0.760 167 L CB -0.237 41.736 42.059 -0.142 0.000 0.910 167 L HN 0.131 nan 8.230 nan 0.000 0.437 168 K N 0.105 120.264 120.400 -0.401 0.000 2.097 168 K HA -0.135 4.185 4.320 -0.001 0.000 0.205 168 K C 1.973 178.169 176.600 -0.673 0.000 1.050 168 K CA 1.005 56.914 56.287 -0.631 0.000 0.938 168 K CB 0.104 32.130 32.500 -0.790 0.000 0.718 168 K HN 0.218 nan 8.250 nan 0.000 0.442 169 N N 1.131 119.641 118.700 -0.316 0.000 2.166 169 N HA -0.182 4.558 4.740 -0.001 0.000 0.186 169 N C 1.710 177.218 175.510 -0.004 0.000 1.019 169 N CA 0.861 53.880 53.050 -0.052 0.000 0.856 169 N CB -0.236 38.267 38.487 0.027 0.000 0.993 169 N HN 0.136 nan 8.380 nan 0.000 0.426 170 L N 1.231 122.411 121.223 -0.073 0.000 2.042 170 L HA -0.075 4.264 4.340 -0.001 0.000 0.210 170 L C 2.039 178.919 176.870 0.017 0.000 1.076 170 L CA 1.361 56.191 54.840 -0.018 0.000 0.749 170 L CB -0.486 41.536 42.059 -0.062 0.000 0.893 170 L HN 0.126 nan 8.230 nan 0.000 0.432 171 L N -2.048 119.106 121.223 -0.116 0.000 2.109 171 L HA -0.172 4.167 4.340 -0.001 0.000 0.207 171 L C 2.473 179.327 176.870 -0.025 0.000 1.086 171 L CA 0.742 55.500 54.840 -0.136 0.000 0.760 171 L CB -0.684 41.243 42.059 -0.219 0.000 0.910 171 L HN 0.193 nan 8.230 nan 0.000 0.437 172 F N -0.084 119.858 119.950 -0.014 0.000 2.120 172 F HA -0.285 4.242 4.527 -0.001 0.000 0.300 172 F C 2.443 178.255 175.800 0.019 0.000 1.095 172 F CA 1.174 59.176 58.000 0.003 0.000 1.249 172 F CB -1.224 37.792 39.000 0.026 0.000 0.995 172 F HN -0.001 nan 8.300 nan 0.000 0.480 173 F N 0.276 120.294 119.950 0.114 0.000 2.134 173 F HA -0.178 4.349 4.527 -0.001 0.000 0.299 173 F C 2.282 178.068 175.800 -0.023 0.000 1.097 173 F CA 1.056 59.078 58.000 0.038 0.000 1.264 173 F CB -0.603 38.406 39.000 0.015 0.000 1.001 173 F HN -0.050 nan 8.300 nan 0.000 0.479 174 L N 0.566 121.780 121.223 -0.014 0.000 2.013 174 L HA -0.228 4.111 4.340 -0.001 0.000 0.212 174 L C 2.069 178.729 176.870 -0.350 0.000 1.073 174 L CA 1.964 56.661 54.840 -0.238 0.000 0.753 174 L CB -0.999 40.874 42.059 -0.311 0.000 0.890 174 L HN 0.277 nan 8.230 nan 0.000 0.432 175 L N -0.557 120.519 121.223 -0.246 0.000 2.027 175 L HA -0.201 4.139 4.340 -0.001 0.000 0.206 175 L C 2.680 179.518 176.870 -0.054 0.000 1.074 175 L CA 1.723 56.479 54.840 -0.139 0.000 0.745 175 L CB -0.712 41.343 42.059 -0.006 0.000 0.898 175 L HN 0.345 nan 8.230 nan 0.000 0.433 176 K N 0.093 120.437 120.400 -0.092 0.000 2.057 176 K HA -0.167 4.153 4.320 -0.001 0.000 0.207 176 K C 2.120 178.607 176.600 -0.188 0.000 1.049 176 K CA 1.821 58.044 56.287 -0.107 0.000 0.931 176 K CB -0.024 32.413 32.500 -0.105 0.000 0.714 176 K HN 0.144 nan 8.250 nan 0.000 0.440 177 S N 0.522 115.990 115.700 -0.386 0.000 2.419 177 S HA -0.100 4.369 4.470 -0.001 0.000 0.233 177 S C 1.800 176.299 174.600 -0.168 0.000 1.016 177 S CA 1.413 59.378 58.200 -0.393 0.000 0.974 177 S CB -0.124 62.676 63.200 -0.666 0.000 0.786 177 S HN 0.594 nan 8.310 nan 0.000 0.492 178 S N 2.033 117.680 115.700 -0.090 0.000 2.558 178 S HA 0.002 4.472 4.470 -0.001 0.000 0.217 178 S C 1.693 176.366 174.600 0.120 0.000 0.975 178 S CA 0.020 58.247 58.200 0.045 0.000 0.912 178 S CB -0.228 63.072 63.200 0.166 0.000 0.776 178 S HN 0.638 nan 8.310 nan 0.000 0.526 179 R N 2.061 122.612 120.500 0.085 0.000 2.103 179 R HA -0.084 4.256 4.340 -0.001 0.000 0.242 179 R C 1.453 177.817 176.300 0.106 0.000 1.142 179 R CA 2.220 58.392 56.100 0.119 0.000 0.960 179 R CB -1.102 29.233 30.300 0.058 0.000 0.858 179 R HN 0.520 nan 8.270 nan 0.000 0.439 180 N N -0.389 118.347 118.700 0.060 0.000 2.467 180 N HA 0.054 4.793 4.740 -0.001 0.000 0.184 180 N C 1.241 176.809 175.510 0.096 0.000 1.106 180 N CA 0.248 53.324 53.050 0.043 0.000 0.892 180 N CB 0.222 38.715 38.487 0.010 0.000 0.969 180 N HN 0.282 nan 8.380 nan 0.000 0.454 181 R N -0.023 120.561 120.500 0.139 0.000 2.265 181 R HA 0.237 4.577 4.340 -0.001 0.000 0.194 181 R C 1.566 178.041 176.300 0.291 0.000 0.931 181 R CA 0.127 56.330 56.100 0.173 0.000 1.032 181 R CB 0.147 30.520 30.300 0.121 0.000 0.980 181 R HN 0.219 nan 8.270 nan 0.000 0.497 182 I N 0.400 121.192 120.570 0.369 0.000 2.127 182 I HA -0.306 3.864 4.170 -0.001 0.000 0.241 182 I C 1.684 178.133 176.117 0.554 0.000 1.075 182 I CA 1.620 63.237 61.300 0.529 0.000 1.334 182 I CB -0.255 38.053 38.000 0.514 0.000 1.040 182 I HN 0.008 nan 8.210 nan 0.000 0.405 183 F N 1.110 121.175 119.950 0.192 0.000 2.075 183 F HA -0.112 4.415 4.527 -0.001 0.000 0.297 183 F C -0.123 175.794 175.800 0.195 0.000 1.113 183 F CA 1.218 59.304 58.000 0.144 0.000 1.218 183 F CB -2.526 36.517 39.000 0.072 0.000 0.984 183 F HN 0.109 nan 8.300 nan 0.000 0.472 184 P HA -0.134 nan 4.420 nan 0.000 0.219 184 P C 1.212 178.672 177.300 0.266 0.000 1.150 184 P CA 1.506 64.761 63.100 0.259 0.000 0.814 184 P CB 0.003 31.817 31.700 0.190 0.000 0.787 185 E N -0.904 119.498 120.200 0.336 0.000 2.112 185 E HA -0.087 4.262 4.350 -0.001 0.000 0.190 185 E C 1.961 178.833 176.600 0.454 0.000 0.979 185 E CA 0.549 57.169 56.400 0.367 0.000 0.814 185 E CB -0.959 28.956 29.700 0.358 0.000 0.762 185 E HN 0.275 nan 8.360 nan 0.000 0.460 186 F N 2.189 122.322 119.950 0.306 0.000 2.102 186 F HA -0.236 4.291 4.527 -0.001 0.000 0.298 186 F C 2.717 178.571 175.800 0.090 0.000 1.105 186 F CA 1.971 59.929 58.000 -0.070 0.000 1.239 186 F CB 0.013 38.770 39.000 -0.405 0.000 0.991 186 F HN 0.006 nan 8.300 nan 0.000 0.474 187 Q N 0.123 120.116 119.800 0.322 0.000 2.050 187 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 187 Q C 2.276 178.363 176.000 0.145 0.000 0.980 187 Q CA 1.700 57.644 55.803 0.235 0.000 0.840 187 Q CB -0.372 28.483 28.738 0.194 0.000 0.898 187 Q HN 0.495 nan 8.270 nan 0.000 0.424 188 A N 0.332 123.231 122.820 0.131 0.000 1.858 188 A HA -0.204 4.116 4.320 -0.001 0.000 0.216 188 A C 2.310 179.910 177.584 0.027 0.000 1.190 188 A CA 2.252 54.338 52.037 0.082 0.000 0.617 188 A CB -1.277 17.777 19.000 0.090 0.000 0.827 188 A HN 0.686 nan 8.150 nan 0.000 0.443 189 T N -3.536 111.018 114.554 0.000 0.000 2.812 189 T HA -0.144 4.205 4.350 -0.001 0.000 0.264 189 T C 1.800 176.310 174.700 -0.317 0.000 1.042 189 T CA 1.542 63.557 62.100 -0.142 0.000 1.140 189 T CB -0.604 68.182 68.868 -0.138 0.000 0.870 189 T HN 0.404 nan 8.240 nan 0.000 0.445 190 Y N 2.559 122.676 120.300 -0.306 0.000 2.314 190 Y HA 0.010 4.560 4.550 -0.001 0.000 0.293 190 Y C 3.218 179.096 175.900 -0.036 0.000 1.129 190 Y CA 1.003 58.931 58.100 -0.287 0.000 1.201 190 Y CB -0.393 37.803 38.460 -0.441 0.000 0.999 190 Y HN 0.442 nan 8.280 nan 0.000 0.541 191 S N -0.189 115.601 115.700 0.149 0.000 2.383 191 S HA -0.211 4.259 4.470 -0.001 0.000 0.227 191 S C 1.705 176.357 174.600 0.086 0.000 1.026 191 S CA 1.413 59.714 58.200 0.167 0.000 0.981 191 S CB -0.456 62.806 63.200 0.105 0.000 0.818 191 S HN 0.538 nan 8.310 nan 0.000 0.472 192 E N 0.961 121.159 120.200 -0.004 0.000 2.077 192 E HA -0.086 4.264 4.350 -0.001 0.000 0.193 192 E C 2.043 178.595 176.600 -0.080 0.000 0.989 192 E CA 1.173 57.550 56.400 -0.039 0.000 0.800 192 E CB -0.356 29.306 29.700 -0.063 0.000 0.746 192 E HN 0.465 nan 8.360 nan 0.000 0.452 193 L N 0.281 121.387 121.223 -0.196 0.000 1.989 193 L HA -0.175 4.164 4.340 -0.001 0.000 0.211 193 L C 1.962 178.721 176.870 -0.185 0.000 1.071 193 L CA 1.755 56.420 54.840 -0.291 0.000 0.749 193 L CB -0.493 41.236 42.059 -0.550 0.000 0.890 193 L HN 0.058 nan 8.230 nan 0.000 0.431 194 F N -0.200 119.794 119.950 0.073 0.000 2.186 194 F HA -0.195 4.331 4.527 -0.001 0.000 0.299 194 F C 2.360 178.200 175.800 0.065 0.000 1.090 194 F CA 1.296 59.355 58.000 0.100 0.000 1.307 194 F CB -0.511 38.554 39.000 0.109 0.000 1.019 194 F HN 0.246 nan 8.300 nan 0.000 0.489 195 D N -0.279 120.234 120.400 0.188 0.000 2.104 195 D HA -0.218 4.421 4.640 -0.001 0.000 0.194 195 D C 2.326 178.672 176.300 0.076 0.000 0.994 195 D CA 1.714 55.777 54.000 0.105 0.000 0.830 195 D CB -0.280 40.554 40.800 0.058 0.000 0.959 195 D HN 0.087 nan 8.370 nan 0.000 0.452 196 S N -1.206 114.520 115.700 0.045 0.000 2.368 196 S HA -0.066 4.404 4.470 -0.001 0.000 0.224 196 S C 2.139 176.769 174.600 0.050 0.000 1.029 196 S CA 0.820 59.034 58.200 0.025 0.000 0.988 196 S CB -0.392 62.798 63.200 -0.017 0.000 0.838 196 S HN 0.341 nan 8.310 nan 0.000 0.462 197 L N 0.923 122.197 121.223 0.084 0.000 2.093 197 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 197 L C 2.648 179.579 176.870 0.102 0.000 1.085 197 L CA 1.405 56.322 54.840 0.127 0.000 0.755 197 L CB -0.557 41.639 42.059 0.229 0.000 0.904 197 L HN 0.395 nan 8.230 nan 0.000 0.435 198 E N 0.152 120.412 120.200 0.099 0.000 2.085 198 E HA -0.280 4.069 4.350 -0.001 0.000 0.194 198 E C 2.161 178.792 176.600 0.052 0.000 0.994 198 E CA 1.273 57.714 56.400 0.067 0.000 0.801 198 E CB -0.038 29.718 29.700 0.094 0.000 0.743 198 E HN 0.325 nan 8.360 nan 0.000 0.453 199 K N 1.133 121.564 120.400 0.051 0.000 2.057 199 K HA -0.226 4.094 4.320 -0.001 0.000 0.207 199 K C 2.157 178.780 176.600 0.038 0.000 1.049 199 K CA 1.435 57.745 56.287 0.037 0.000 0.931 199 K CB 0.024 32.542 32.500 0.030 0.000 0.714 199 K HN 0.042 nan 8.250 nan 0.000 0.440 200 E N 0.794 121.021 120.200 0.045 0.000 2.077 200 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 200 E C 2.124 178.756 176.600 0.053 0.000 0.989 200 E CA 0.811 57.239 56.400 0.047 0.000 0.800 200 E CB -0.049 29.684 29.700 0.056 0.000 0.746 200 E HN 0.343 nan 8.360 nan 0.000 0.452 201 L N 0.923 122.183 121.223 0.062 0.000 2.046 201 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 201 L C 2.648 179.544 176.870 0.043 0.000 1.077 201 L CA 1.956 56.831 54.840 0.060 0.000 0.747 201 L CB -0.493 41.596 42.059 0.049 0.000 0.896 201 L HN 0.291 nan 8.230 nan 0.000 0.432 202 S N -0.701 115.020 115.700 0.035 0.000 2.423 202 S HA -0.155 4.315 4.470 -0.001 0.000 0.231 202 S C 1.869 176.485 174.600 0.027 0.000 1.014 202 S CA 0.816 59.032 58.200 0.028 0.000 0.965 202 S CB -0.427 62.788 63.200 0.025 0.000 0.785 202 S HN 0.464 nan 8.310 nan 0.000 0.495 203 L N 0.129 121.369 121.223 0.028 0.000 2.102 203 L HA 0.191 4.530 4.340 -0.001 0.000 0.202 203 L C 2.547 179.432 176.870 0.026 0.000 1.076 203 L CA 1.115 55.970 54.840 0.025 0.000 0.761 203 L CB -0.158 41.915 42.059 0.023 0.000 0.921 203 L HN 0.251 nan 8.230 nan 0.000 0.444 204 K N -1.170 119.249 120.400 0.032 0.000 2.367 204 K HA 0.236 4.556 4.320 -0.001 0.000 0.195 204 K C 1.154 177.776 176.600 0.037 0.000 1.060 204 K CA 0.604 56.911 56.287 0.033 0.000 1.022 204 K CB 1.093 33.614 32.500 0.036 0.000 0.894 204 K HN 0.300 nan 8.250 nan 0.000 0.540 205 G N 2.729 111.554 108.800 0.042 0.000 2.199 205 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.254 205 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.254 205 G C -0.066 174.870 174.900 0.059 0.000 0.982 205 G CA 0.909 46.036 45.100 0.045 0.000 0.632 205 G HN 0.383 nan 8.290 nan 0.000 0.529 206 K N -1.258 119.183 120.400 0.067 0.000 2.536 206 K HA 0.837 5.157 4.320 -0.001 0.000 0.269 206 K C -0.968 175.694 176.600 0.103 0.000 0.965 206 K CA -0.512 55.830 56.287 0.091 0.000 0.860 206 K CB 1.874 34.420 32.500 0.077 0.000 1.423 206 K HN 1.292 nan 8.250 nan 0.000 0.438 207 A N 1.448 124.359 122.820 0.152 0.000 2.353 207 A HA 0.308 4.628 4.320 -0.001 0.000 0.299 207 A C -1.426 176.261 177.584 0.170 0.000 1.089 207 A CA -0.658 51.481 52.037 0.171 0.000 0.736 207 A CB 1.335 20.479 19.000 0.239 0.000 1.195 207 A HN 0.755 nan 8.150 nan 0.000 0.447 208 D N 2.785 123.249 120.400 0.107 0.000 2.435 208 D HA 0.098 4.737 4.640 -0.001 0.000 0.230 208 D C 0.740 177.084 176.300 0.073 0.000 1.215 208 D CA -0.296 53.745 54.000 0.070 0.000 0.947 208 D CB -0.229 40.589 40.800 0.030 0.000 1.048 208 D HN 0.423 nan 8.370 nan 0.000 0.512 209 F N 3.409 123.331 119.950 -0.047 0.000 2.069 209 F HA -0.057 4.469 4.527 -0.001 0.000 0.298 209 F C 2.104 177.883 175.800 -0.035 0.000 1.113 209 F CA 2.156 60.130 58.000 -0.042 0.000 1.214 209 F CB -0.327 38.544 39.000 -0.214 0.000 0.978 209 F HN 0.391 nan 8.300 nan 0.000 0.474 210 G N -0.487 108.284 108.800 -0.049 0.000 2.440 210 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.218 210 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.218 210 G C 1.883 176.678 174.900 -0.174 0.000 1.154 210 G CA 0.716 45.742 45.100 -0.123 0.000 0.767 210 G HN 0.647 nan 8.290 nan 0.000 0.552 211 G N -0.280 108.455 108.800 -0.110 0.000 2.471 211 G HA2 0.035 3.995 3.960 -0.001 0.000 0.219 211 G HA3 0.035 3.995 3.960 -0.001 0.000 0.219 211 G C 1.878 176.713 174.900 -0.109 0.000 1.125 211 G CA 1.350 46.403 45.100 -0.078 0.000 0.775 211 G HN 0.449 nan 8.290 nan 0.000 0.548 212 S N -0.061 115.529 115.700 -0.185 0.000 2.514 212 S HA 0.013 4.482 4.470 -0.001 0.000 0.223 212 S C 2.554 176.976 174.600 -0.297 0.000 1.046 212 S CA 0.684 58.766 58.200 -0.197 0.000 0.914 212 S CB 0.210 63.306 63.200 -0.174 0.000 0.807 212 S HN 0.538 nan 8.310 nan 0.000 0.497 213 S N 1.946 117.343 115.700 -0.506 0.000 2.447 213 S HA -0.091 4.378 4.470 -0.001 0.000 0.233 213 S C 1.166 175.578 174.600 -0.314 0.000 1.006 213 S CA 0.923 58.759 58.200 -0.607 0.000 0.957 213 S CB -0.361 62.067 63.200 -1.286 0.000 0.773 213 S HN 0.258 nan 8.310 nan 0.000 0.507 214 D N 2.294 122.582 120.400 -0.187 0.000 2.117 214 D HA 0.015 4.655 4.640 -0.001 0.000 0.197 214 D C 2.184 178.657 176.300 0.288 0.000 0.987 214 D CA 1.457 55.493 54.000 0.060 0.000 0.829 214 D CB -1.006 39.892 40.800 0.163 0.000 0.961 214 D HN 0.549 nan 8.370 nan 0.000 0.460 215 G N 0.033 108.891 108.800 0.096 0.000 2.421 215 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.216 215 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.216 215 G C 1.700 176.622 174.900 0.036 0.000 1.171 215 G CA 1.501 46.645 45.100 0.073 0.000 0.775 215 G HN 0.224 nan 8.290 nan 0.000 0.543 216 T N 1.836 116.312 114.554 -0.130 0.000 2.684 216 T HA -0.076 4.274 4.350 -0.001 0.000 0.267 216 T C 2.810 177.414 174.700 -0.160 0.000 1.036 216 T CA 1.728 63.644 62.100 -0.306 0.000 1.148 216 T CB -0.461 67.998 68.868 -0.682 0.000 0.863 216 T HN 0.387 nan 8.240 nan 0.000 0.436 217 A N 1.009 123.831 122.820 0.003 0.000 1.883 217 A HA -0.071 4.249 4.320 -0.001 0.000 0.217 217 A C 2.050 179.864 177.584 0.383 0.000 1.186 217 A CA 1.576 53.761 52.037 0.247 0.000 0.624 217 A CB -1.061 18.011 19.000 0.120 0.000 0.822 217 A HN 0.470 nan 8.150 nan 0.000 0.444 218 F N 1.396 121.542 119.950 0.326 0.000 2.134 218 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 218 F C 2.074 177.886 175.800 0.020 0.000 1.097 218 F CA 1.953 60.035 58.000 0.136 0.000 1.264 218 F CB -0.236 38.683 39.000 -0.135 0.000 1.001 218 F HN 0.216 nan 8.300 nan 0.000 0.479 219 N N 0.220 118.957 118.700 0.062 0.000 2.069 219 N HA -0.240 4.500 4.740 -0.001 0.000 0.191 219 N C 1.849 177.327 175.510 -0.052 0.000 1.031 219 N CA 1.656 54.689 53.050 -0.028 0.000 0.852 219 N CB -1.126 37.362 38.487 0.002 0.000 1.018 219 N HN 0.416 nan 8.380 nan 0.000 0.423 220 F N 1.876 121.759 119.950 -0.111 0.000 2.095 220 F HA -0.095 4.432 4.527 -0.001 0.000 0.298 220 F C 2.009 177.731 175.800 -0.131 0.000 1.104 220 F CA 1.210 59.176 58.000 -0.057 0.000 1.232 220 F CB -0.624 38.416 39.000 0.067 0.000 0.987 220 F HN -0.055 nan 8.300 nan 0.000 0.475 221 L N 0.176 121.012 121.223 -0.646 0.000 2.046 221 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 221 L C 2.858 179.284 176.870 -0.740 0.000 1.077 221 L CA 1.263 55.504 54.840 -0.998 0.000 0.747 221 L CB -1.350 40.330 42.059 -0.631 0.000 0.896 221 L HN 0.296 nan 8.230 nan 0.000 0.432 222 A N 0.154 122.664 122.820 -0.517 0.000 1.933 222 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 222 A C 2.390 179.928 177.584 -0.076 0.000 1.175 222 A CA 1.452 53.391 52.037 -0.164 0.000 0.628 222 A CB -0.409 18.484 19.000 -0.178 0.000 0.814 222 A HN 0.324 nan 8.150 nan 0.000 0.444 223 R N -0.613 119.797 120.500 -0.149 0.000 2.073 223 R HA 0.028 4.367 4.340 -0.001 0.000 0.229 223 R C 2.480 178.719 176.300 -0.102 0.000 1.120 223 R CA 1.169 57.230 56.100 -0.067 0.000 0.967 223 R CB -0.381 29.917 30.300 -0.003 0.000 0.862 223 R HN 0.494 nan 8.270 nan 0.000 0.436 224 A N 0.589 123.243 122.820 -0.277 0.000 1.872 224 A HA -0.085 4.235 4.320 -0.001 0.000 0.214 224 A C 1.756 179.274 177.584 -0.109 0.000 1.187 224 A CA 1.008 52.921 52.037 -0.207 0.000 0.614 224 A CB -0.375 18.373 19.000 -0.421 0.000 0.826 224 A HN 0.142 nan 8.150 nan 0.000 0.442 225 F N -1.719 117.952 119.950 -0.464 0.000 2.187 225 F HA 0.033 4.559 4.527 -0.001 0.000 0.295 225 F C 1.498 176.831 175.800 -0.779 0.000 1.091 225 F CA 0.551 58.100 58.000 -0.752 0.000 1.308 225 F CB -0.824 37.412 39.000 -1.273 0.000 1.030 225 F HN 0.345 nan 8.300 nan 0.000 0.487 226 Y N -1.367 118.989 120.300 0.094 0.000 2.527 226 Y HA 0.448 4.998 4.550 -0.001 0.000 0.247 226 Y C 1.748 177.626 175.900 -0.037 0.000 1.138 226 Y CA -0.400 57.698 58.100 -0.003 0.000 1.228 226 Y CB -0.211 38.197 38.460 -0.086 0.000 1.252 226 Y HN 0.073 nan 8.280 nan 0.000 0.531 227 G N 1.339 110.174 108.800 0.058 0.000 2.283 227 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.280 227 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.280 227 G C -0.035 174.889 174.900 0.040 0.000 1.029 227 G CA 0.917 46.042 45.100 0.041 0.000 0.840 227 G HN 0.280 nan 8.290 nan 0.000 0.505 228 T N 0.142 114.729 114.554 0.055 0.000 2.841 228 T HA 0.441 4.790 4.350 -0.001 0.000 0.285 228 T C -0.289 174.466 174.700 0.092 0.000 0.991 228 T CA -0.674 61.457 62.100 0.052 0.000 0.966 228 T CB 1.473 70.329 68.868 -0.019 0.000 0.962 228 T HN 0.261 nan 8.240 nan 0.000 0.438 229 N N 3.830 122.576 118.700 0.077 0.000 2.414 229 N HA 0.272 5.011 4.740 -0.001 0.000 0.256 229 N C -1.853 173.723 175.510 0.110 0.000 1.029 229 N CA -2.235 50.858 53.050 0.070 0.000 0.948 229 N CB 1.597 40.109 38.487 0.042 0.000 1.102 229 N HN 0.154 nan 8.380 nan 0.000 0.496 230 P HA -0.105 nan 4.420 nan 0.000 0.218 230 P C 0.734 178.045 177.300 0.020 0.000 1.146 230 P CA 1.103 64.236 63.100 0.055 0.000 0.813 230 P CB 0.204 31.871 31.700 -0.055 0.000 0.778 231 A N -0.149 122.678 122.820 0.012 0.000 2.024 231 A HA -0.188 4.132 4.320 -0.001 0.000 0.220 231 A C 1.652 179.243 177.584 0.011 0.000 1.164 231 A CA 1.726 53.762 52.037 -0.001 0.000 0.643 231 A CB -1.096 17.901 19.000 -0.004 0.000 0.806 231 A HN 0.114 nan 8.150 nan 0.000 0.451 232 D N -0.334 120.085 120.400 0.031 0.000 2.340 232 D HA 0.055 4.695 4.640 -0.001 0.000 0.220 232 D C 0.907 177.230 176.300 0.038 0.000 1.039 232 D CA 1.116 55.133 54.000 0.029 0.000 0.866 232 D CB 0.058 40.876 40.800 0.029 0.000 0.913 232 D HN 0.617 nan 8.370 nan 0.000 0.523 233 T N -3.462 111.127 114.554 0.057 0.000 2.910 233 T HA 0.343 4.693 4.350 -0.001 0.000 0.287 233 T C 1.026 175.747 174.700 0.036 0.000 1.050 233 T CA -0.774 61.371 62.100 0.075 0.000 1.011 233 T CB 2.217 71.210 68.868 0.209 0.000 1.195 233 T HN -0.330 nan 8.240 nan 0.000 0.540 234 K N -0.153 120.267 120.400 0.035 0.000 2.280 234 K HA 0.107 4.426 4.320 -0.001 0.000 0.202 234 K C 1.902 178.482 176.600 -0.034 0.000 1.047 234 K CA 0.736 57.023 56.287 0.001 0.000 0.942 234 K CB -0.394 32.109 32.500 0.005 0.000 0.739 234 K HN 0.441 nan 8.250 nan 0.000 0.457 235 L N 0.697 121.887 121.223 -0.054 0.000 2.201 235 L HA -0.168 4.172 4.340 -0.001 0.000 0.212 235 L C 0.935 177.705 176.870 -0.166 0.000 1.105 235 L CA 1.032 55.767 54.840 -0.175 0.000 0.775 235 L CB -0.242 41.583 42.059 -0.391 0.000 0.913 235 L HN 0.284 nan 8.230 nan 0.000 0.440 236 K N -1.143 119.195 120.400 -0.103 0.000 1.721 236 K HA -0.345 3.975 4.320 -0.001 0.000 0.121 236 K C 0.800 177.334 176.600 -0.110 0.000 1.152 236 K CA 1.600 57.838 56.287 -0.082 0.000 0.360 236 K CB -1.240 31.220 32.500 -0.068 0.000 0.626 236 K HN 0.301 nan 8.250 nan 0.000 0.878 237 A N 0.982 123.737 122.820 -0.108 0.000 2.574 237 A HA 0.154 4.474 4.320 -0.001 0.000 0.283 237 A C 0.434 177.923 177.584 -0.159 0.000 1.270 237 A CA 0.120 52.088 52.037 -0.115 0.000 0.945 237 A CB 0.208 19.163 19.000 -0.075 0.000 1.127 237 A HN 0.449 nan 8.150 nan 0.000 0.522 238 D N 0.382 120.662 120.400 -0.201 0.000 2.347 238 D HA 0.089 4.728 4.640 -0.001 0.000 0.213 238 D C 2.043 178.145 176.300 -0.331 0.000 0.985 238 D CA 0.991 54.863 54.000 -0.213 0.000 0.879 238 D CB 0.066 40.760 40.800 -0.177 0.000 0.919 238 D HN 0.439 nan 8.370 nan 0.000 0.526 239 A N 1.943 124.448 122.820 -0.525 0.000 1.892 239 A HA -0.153 4.166 4.320 -0.001 0.000 0.218 239 A C -0.150 176.979 177.584 -0.758 0.000 1.188 239 A CA 1.397 52.907 52.037 -0.878 0.000 0.631 239 A CB -1.510 16.397 19.000 -1.821 0.000 0.822 239 A HN 0.180 nan 8.150 nan 0.000 0.447 240 P HA -0.122 nan 4.420 nan 0.000 0.216 240 P C 1.735 178.932 177.300 -0.172 0.000 1.153 240 P CA 1.818 64.713 63.100 -0.341 0.000 0.858 240 P CB -0.368 31.359 31.700 0.045 0.000 0.789 241 G N -0.492 108.234 108.800 -0.124 0.000 2.418 241 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.217 241 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.217 241 G C 1.481 176.352 174.900 -0.048 0.000 1.158 241 G CA 0.528 45.602 45.100 -0.044 0.000 0.771 241 G HN 0.214 nan 8.290 nan 0.000 0.545 242 L N 0.040 121.180 121.223 -0.139 0.000 2.017 242 L HA -0.011 4.329 4.340 -0.001 0.000 0.208 242 L C 2.859 179.713 176.870 -0.026 0.000 1.073 242 L CA 0.794 55.572 54.840 -0.103 0.000 0.745 242 L CB -0.421 41.518 42.059 -0.200 0.000 0.894 242 L HN 0.179 nan 8.230 nan 0.000 0.432 243 I N -0.573 119.896 120.570 -0.169 0.000 2.226 243 I HA -0.273 3.897 4.170 -0.001 0.000 0.245 243 I C 2.548 178.799 176.117 0.224 0.000 1.100 243 I CA 1.496 62.785 61.300 -0.018 0.000 1.374 243 I CB -0.646 37.053 38.000 -0.503 0.000 1.057 243 I HN 0.249 nan 8.210 nan 0.000 0.413 244 T N 0.566 115.218 114.554 0.164 0.000 2.684 244 T HA -0.261 4.089 4.350 -0.001 0.000 0.267 244 T C 1.951 176.808 174.700 0.262 0.000 1.036 244 T CA 1.650 63.910 62.100 0.267 0.000 1.148 244 T CB -0.225 68.786 68.868 0.238 0.000 0.863 244 T HN 0.299 nan 8.240 nan 0.000 0.436 245 K N -0.561 119.985 120.400 0.242 0.000 2.032 245 K HA -0.176 4.144 4.320 -0.001 0.000 0.209 245 K C 2.195 179.050 176.600 0.426 0.000 1.048 245 K CA 1.609 58.078 56.287 0.304 0.000 0.927 245 K CB -0.285 32.343 32.500 0.213 0.000 0.712 245 K HN 0.473 nan 8.250 nan 0.000 0.441 246 W N 0.998 122.408 121.300 0.184 0.000 2.355 246 W HA -0.191 4.468 4.660 -0.001 0.000 0.309 246 W C 1.551 178.280 176.519 0.349 0.000 1.206 246 W CA 1.208 58.690 57.345 0.228 0.000 1.284 246 W CB -0.496 29.096 29.460 0.220 0.000 1.145 246 W HN -0.161 nan 8.180 nan 0.000 0.502 247 V N 1.553 121.570 119.914 0.171 0.000 2.332 247 V HA -0.340 3.780 4.120 -0.001 0.000 0.248 247 V C 2.404 178.560 176.094 0.103 0.000 1.055 247 V CA 2.111 64.394 62.300 -0.028 0.000 1.038 247 V CB -1.037 30.814 31.823 0.046 0.000 0.651 247 V HN 0.262 nan 8.190 nan 0.000 0.450 248 L N -1.680 119.677 121.223 0.224 0.000 2.131 248 L HA -0.145 4.194 4.340 -0.001 0.000 0.210 248 L C 2.347 179.397 176.870 0.301 0.000 1.092 248 L CA 1.416 56.401 54.840 0.243 0.000 0.759 248 L CB -0.555 41.639 42.059 0.224 0.000 0.903 248 L HN 0.249 nan 8.230 nan 0.000 0.435 249 F N 0.239 120.292 119.950 0.171 0.000 2.293 249 F HA -0.152 4.375 4.527 -0.001 0.000 0.300 249 F C 2.438 178.371 175.800 0.221 0.000 1.086 249 F CA 1.098 59.238 58.000 0.234 0.000 1.375 249 F CB -0.443 38.662 39.000 0.175 0.000 1.045 249 F HN 0.164 nan 8.300 nan 0.000 0.516 250 N N -0.152 118.686 118.700 0.230 0.000 2.207 250 N HA -0.009 4.730 4.740 -0.001 0.000 0.182 250 N C 1.641 177.289 175.510 0.231 0.000 1.020 250 N CA 1.094 54.251 53.050 0.178 0.000 0.858 250 N CB -0.013 38.525 38.487 0.086 0.000 0.991 250 N HN 0.287 nan 8.380 nan 0.000 0.427 251 L N 0.392 121.736 121.223 0.202 0.000 2.766 251 L HA 0.112 4.452 4.340 -0.001 0.000 0.242 251 L C 1.819 178.763 176.870 0.124 0.000 1.136 251 L CA 0.025 54.993 54.840 0.214 0.000 0.933 251 L CB -0.286 41.898 42.059 0.209 0.000 1.241 251 L HN 0.192 nan 8.230 nan 0.000 0.522 252 H N -0.089 119.052 119.070 0.120 0.000 2.431 252 H HA -0.119 4.437 4.556 -0.000 0.000 0.297 252 H C -1.031 174.358 175.328 0.101 0.000 1.115 252 H CA 1.282 57.370 56.048 0.066 0.000 1.277 252 H CB -1.963 27.776 29.762 -0.038 0.000 1.372 252 H HN 0.163 nan 8.280 nan 0.000 0.516 253 P HA -0.060 nan 4.420 nan 0.000 0.228 253 P C 0.734 178.049 177.300 0.025 0.000 1.151 253 P CA 1.112 64.100 63.100 -0.187 0.000 0.770 253 P CB 0.061 31.339 31.700 -0.703 0.000 0.786 254 L N -2.570 118.744 121.223 0.153 0.000 2.693 254 L HA 0.232 4.572 4.340 -0.001 0.000 0.235 254 L C 0.568 177.736 176.870 0.497 0.000 1.127 254 L CA 0.000 55.035 54.840 0.325 0.000 0.914 254 L CB 0.053 42.297 42.059 0.308 0.000 1.193 254 L HN -0.093 nan 8.230 nan 0.000 0.502 255 L N -1.160 120.281 121.223 0.363 0.000 2.370 255 L HA 0.500 4.839 4.340 -0.001 0.000 0.266 255 L C -0.213 176.739 176.870 0.137 0.000 1.002 255 L CA -0.373 54.651 54.840 0.306 0.000 0.818 255 L CB 2.255 44.442 42.059 0.214 0.000 1.325 255 L HN -0.190 nan 8.230 nan 0.000 0.418 256 S N 1.648 117.418 115.700 0.116 0.000 2.482 256 S HA 0.644 5.113 4.470 -0.001 0.000 0.303 256 S C 0.271 174.909 174.600 0.063 0.000 1.091 256 S CA -0.735 57.474 58.200 0.014 0.000 1.057 256 S CB 0.780 63.981 63.200 0.002 0.000 1.031 256 S HN 0.410 nan 8.310 nan 0.000 0.485 257 I N 3.458 124.047 120.570 0.033 0.000 5.395 257 I HA 0.368 4.537 4.170 -0.001 0.000 0.168 257 I C 2.013 178.159 176.117 0.048 0.000 1.421 257 I CA 0.089 61.413 61.300 0.040 0.000 1.273 257 I CB -0.969 37.041 38.000 0.018 0.000 1.691 257 I HN 0.797 nan 8.210 nan 0.000 0.777 258 G N 0.481 109.301 108.800 0.034 0.000 3.159 258 G HA2 0.358 4.317 3.960 -0.001 0.000 0.232 258 G HA3 0.358 4.317 3.960 -0.001 0.000 0.232 258 G C 0.490 175.404 174.900 0.024 0.000 1.116 258 G CA -0.156 44.966 45.100 0.036 0.000 0.767 258 G HN 0.167 nan 8.290 nan 0.000 0.547 259 L N 1.283 122.512 121.223 0.010 0.000 2.417 259 L HA 0.319 4.658 4.340 -0.001 0.000 0.268 259 L C -1.990 174.864 176.870 -0.028 0.000 1.158 259 L CA -1.870 52.958 54.840 -0.020 0.000 0.819 259 L CB 1.010 43.041 42.059 -0.046 0.000 1.112 259 L HN -0.100 nan 8.230 nan 0.000 0.458 260 P HA 0.072 nan 4.420 nan 0.000 0.269 260 P C 0.244 177.406 177.300 -0.231 0.000 1.209 260 P CA -0.339 62.677 63.100 -0.139 0.000 0.776 260 P CB 0.561 32.186 31.700 -0.126 0.000 0.876 261 R N 2.065 122.289 120.500 -0.460 0.000 2.134 261 R HA -0.204 4.136 4.340 -0.001 0.000 0.248 261 R C 1.610 177.706 176.300 -0.340 0.000 1.143 261 R CA 2.572 58.261 56.100 -0.685 0.000 0.957 261 R CB -0.911 28.784 30.300 -1.010 0.000 0.867 261 R HN 0.441 nan 8.270 nan 0.000 0.441 262 V N -1.888 117.871 119.914 -0.258 0.000 2.759 262 V HA -0.114 4.005 4.120 -0.001 0.000 0.256 262 V C 1.986 178.024 176.094 -0.095 0.000 1.080 262 V CA 1.530 63.742 62.300 -0.148 0.000 1.101 262 V CB -0.473 31.277 31.823 -0.122 0.000 0.698 262 V HN 0.269 nan 8.190 nan 0.000 0.477 263 I N -0.020 120.485 120.570 -0.108 0.000 2.385 263 I HA -0.027 4.142 4.170 -0.001 0.000 0.244 263 I C 2.804 178.858 176.117 -0.105 0.000 1.089 263 I CA 1.163 62.412 61.300 -0.086 0.000 1.410 263 I CB -0.403 37.548 38.000 -0.080 0.000 1.117 263 I HN 0.195 nan 8.210 nan 0.000 0.429 264 E N 0.929 121.045 120.200 -0.140 0.000 2.085 264 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 264 E C 2.088 178.529 176.600 -0.265 0.000 0.994 264 E CA 1.108 57.367 56.400 -0.234 0.000 0.801 264 E CB -0.023 29.544 29.700 -0.220 0.000 0.743 264 E HN 0.387 nan 8.360 nan 0.000 0.453 265 E N -0.096 120.058 120.200 -0.076 0.000 2.023 265 E HA -0.160 4.190 4.350 -0.001 0.000 0.196 265 E C -0.554 176.101 176.600 0.092 0.000 1.003 265 E CA 1.343 57.804 56.400 0.102 0.000 0.809 265 E CB -1.320 28.514 29.700 0.222 0.000 0.755 265 E HN 0.343 nan 8.360 nan 0.000 0.449 266 P HA -0.096 nan 4.420 nan 0.000 0.222 266 P C 1.782 179.141 177.300 0.098 0.000 1.153 266 P CA 0.855 64.028 63.100 0.121 0.000 0.798 266 P CB 0.046 31.806 31.700 0.101 0.000 0.796 267 L N 0.229 121.446 121.223 -0.009 0.000 2.162 267 L HA 0.094 4.434 4.340 -0.001 0.000 0.205 267 L C 2.135 178.935 176.870 -0.116 0.000 1.086 267 L CA 1.529 56.332 54.840 -0.062 0.000 0.778 267 L CB -0.586 41.409 42.059 -0.106 0.000 0.928 267 L HN -0.085 nan 8.230 nan 0.000 0.446 268 I N -6.501 113.976 120.570 -0.155 0.000 4.439 268 I HA 0.256 4.426 4.170 -0.001 0.000 0.331 268 I C 0.942 177.174 176.117 0.191 0.000 1.345 268 I CA -0.087 61.154 61.300 -0.099 0.000 1.193 268 I CB -0.050 37.842 38.000 -0.180 0.000 1.221 268 I HN -0.022 nan 8.210 nan 0.000 0.429 269 H N 0.613 119.726 119.070 0.070 0.000 2.755 269 H HA 0.388 4.943 4.556 -0.000 0.000 0.273 269 H C 1.189 176.530 175.328 0.022 0.000 1.055 269 H CA 0.384 56.456 56.048 0.041 0.000 1.191 269 H CB 0.634 30.415 29.762 0.033 0.000 1.536 269 H HN 0.257 nan 8.280 nan 0.000 0.529 270 T N -0.784 113.859 114.554 0.147 0.000 3.056 270 T HA 0.210 4.559 4.350 -0.001 0.000 0.243 270 T C -0.018 174.568 174.700 -0.191 0.000 0.995 270 T CA 0.388 62.464 62.100 -0.039 0.000 1.091 270 T CB 0.631 69.494 68.868 -0.008 0.000 0.990 270 T HN -0.070 nan 8.240 nan 0.000 0.464 271 F N 0.888 120.941 119.950 0.173 0.000 2.603 271 F HA 0.564 5.091 4.527 -0.001 0.000 0.317 271 F C 0.165 176.061 175.800 0.161 0.000 1.066 271 F CA -1.222 56.866 58.000 0.146 0.000 0.941 271 F CB 1.526 40.576 39.000 0.083 0.000 1.291 271 F HN -0.244 nan 8.300 nan 0.000 0.472 272 S N 2.028 117.946 115.700 0.363 0.000 2.549 272 S HA 0.356 4.826 4.470 -0.001 0.000 0.279 272 S C -0.159 174.575 174.600 0.223 0.000 1.321 272 S CA -0.625 57.776 58.200 0.334 0.000 1.054 272 S CB 0.177 63.520 63.200 0.239 0.000 0.899 272 S HN 0.344 nan 8.310 nan 0.000 0.497 273 L N 5.111 126.411 121.223 0.129 0.000 2.453 273 L HA 0.210 4.549 4.340 -0.001 0.000 0.272 273 L C -1.800 175.153 176.870 0.139 0.000 1.182 273 L CA -1.632 53.125 54.840 -0.138 0.000 0.858 273 L CB -0.089 41.525 42.059 -0.742 0.000 1.120 273 L HN 0.378 nan 8.230 nan 0.000 0.474 274 P HA 0.131 nan 4.420 nan 0.000 0.271 274 P C -2.291 175.216 177.300 0.345 0.000 1.233 274 P CA -1.496 61.733 63.100 0.213 0.000 0.764 274 P CB 0.574 32.352 31.700 0.129 0.000 0.825 275 P HA -0.193 nan 4.420 nan 0.000 0.218 275 P C 1.454 178.792 177.300 0.063 0.000 1.146 275 P CA 1.660 64.877 63.100 0.196 0.000 0.813 275 P CB -0.264 31.510 31.700 0.123 0.000 0.778 276 A N -0.521 122.339 122.820 0.066 0.000 1.978 276 A HA -0.173 4.147 4.320 -0.001 0.000 0.220 276 A C 2.028 179.611 177.584 -0.002 0.000 1.170 276 A CA 1.337 53.388 52.037 0.023 0.000 0.636 276 A CB -1.585 17.432 19.000 0.029 0.000 0.810 276 A HN 0.186 nan 8.150 nan 0.000 0.448 277 L N -1.189 120.049 121.223 0.025 0.000 2.551 277 L HA 0.006 4.345 4.340 -0.001 0.000 0.228 277 L C 1.792 178.522 176.870 -0.235 0.000 1.153 277 L CA 0.434 55.271 54.840 -0.006 0.000 0.851 277 L CB 0.104 42.289 42.059 0.210 0.000 0.959 277 L HN 0.305 nan 8.230 nan 0.000 0.451 278 V N -1.407 118.256 119.914 -0.418 0.000 3.477 278 V HA 0.067 4.186 4.120 -0.001 0.000 0.297 278 V C 1.962 177.996 176.094 -0.100 0.000 1.433 278 V CA 0.146 62.201 62.300 -0.407 0.000 1.052 278 V CB 0.206 31.535 31.823 -0.822 0.000 0.895 278 V HN 0.177 nan 8.190 nan 0.000 0.438 279 K N 1.412 121.777 120.400 -0.058 0.000 2.057 279 K HA -0.113 4.207 4.320 -0.001 0.000 0.207 279 K C 2.338 178.975 176.600 0.062 0.000 1.049 279 K CA 1.989 58.286 56.287 0.016 0.000 0.931 279 K CB -0.410 32.089 32.500 -0.002 0.000 0.714 279 K HN 0.703 nan 8.250 nan 0.000 0.440 280 S N 0.692 116.405 115.700 0.022 0.000 2.383 280 S HA -0.126 4.343 4.470 -0.001 0.000 0.227 280 S C 1.553 176.166 174.600 0.022 0.000 1.026 280 S CA 1.258 59.472 58.200 0.023 0.000 0.981 280 S CB -0.223 62.980 63.200 0.005 0.000 0.818 280 S HN 0.171 nan 8.310 nan 0.000 0.472 281 D N 0.533 120.940 120.400 0.012 0.000 2.097 281 D HA -0.055 4.585 4.640 -0.001 0.000 0.197 281 D C 1.635 177.932 176.300 -0.006 0.000 0.984 281 D CA 1.225 55.222 54.000 -0.005 0.000 0.826 281 D CB -0.634 40.164 40.800 -0.003 0.000 0.973 281 D HN 0.563 nan 8.370 nan 0.000 0.460 282 Y N 1.346 121.587 120.300 -0.098 0.000 2.165 282 Y HA -0.292 4.257 4.550 -0.001 0.000 0.286 282 Y C 2.424 178.293 175.900 -0.052 0.000 1.155 282 Y CA 1.860 59.862 58.100 -0.163 0.000 1.164 282 Y CB -0.137 38.220 38.460 -0.171 0.000 0.978 282 Y HN -0.116 nan 8.280 nan 0.000 0.513 283 Q N 0.711 120.581 119.800 0.116 0.000 2.135 283 Q HA -0.209 4.131 4.340 -0.001 0.000 0.204 283 Q C 2.193 178.215 176.000 0.037 0.000 0.981 283 Q CA 1.982 57.838 55.803 0.089 0.000 0.856 283 Q CB -0.228 28.557 28.738 0.080 0.000 0.902 283 Q HN 0.457 nan 8.270 nan 0.000 0.425 284 R N -0.578 119.913 120.500 -0.016 0.000 2.073 284 R HA -0.106 4.234 4.340 -0.001 0.000 0.234 284 R C 2.393 178.667 176.300 -0.044 0.000 1.134 284 R CA 1.581 57.661 56.100 -0.033 0.000 0.952 284 R CB -0.487 29.772 30.300 -0.069 0.000 0.850 284 R HN 0.312 nan 8.270 nan 0.000 0.433 285 L N -0.767 120.380 121.223 -0.126 0.000 2.046 285 L HA -0.210 4.130 4.340 -0.001 0.000 0.208 285 L C 2.443 179.351 176.870 0.063 0.000 1.077 285 L CA 1.303 56.094 54.840 -0.081 0.000 0.747 285 L CB -0.599 41.298 42.059 -0.270 0.000 0.896 285 L HN 0.174 nan 8.230 nan 0.000 0.432 286 Y N 1.042 121.186 120.300 -0.260 0.000 2.128 286 Y HA -0.345 4.204 4.550 -0.001 0.000 0.284 286 Y C 2.709 178.576 175.900 -0.056 0.000 1.154 286 Y CA 2.170 60.149 58.100 -0.202 0.000 1.149 286 Y CB -0.152 38.168 38.460 -0.233 0.000 0.976 286 Y HN 0.220 nan 8.280 nan 0.000 0.505 287 E N -0.551 119.707 120.200 0.097 0.000 2.049 287 E HA -0.320 4.029 4.350 -0.001 0.000 0.198 287 E C 2.189 178.736 176.600 -0.090 0.000 1.007 287 E CA 1.689 58.102 56.400 0.020 0.000 0.809 287 E CB -0.646 29.092 29.700 0.063 0.000 0.749 287 E HN 0.525 nan 8.360 nan 0.000 0.450 288 F N 0.293 120.131 119.950 -0.186 0.000 2.065 288 F HA -0.230 4.297 4.527 -0.001 0.000 0.298 288 F C 1.819 177.363 175.800 -0.426 0.000 1.112 288 F CA 1.802 59.628 58.000 -0.289 0.000 1.212 288 F CB -0.494 38.307 39.000 -0.332 0.000 0.975 288 F HN 0.043 nan 8.300 nan 0.000 0.476 289 F N -0.331 119.400 119.950 -0.365 0.000 2.146 289 F HA -0.148 4.378 4.527 -0.001 0.000 0.298 289 F C 2.194 177.606 175.800 -0.647 0.000 1.096 289 F CA 1.230 58.872 58.000 -0.597 0.000 1.275 289 F CB -1.013 37.721 39.000 -0.442 0.000 1.008 289 F HN 0.057 nan 8.300 nan 0.000 0.480 290 L N 0.500 121.439 121.223 -0.473 0.000 2.012 290 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 290 L C 2.030 178.701 176.870 -0.333 0.000 1.073 290 L CA 1.973 56.549 54.840 -0.439 0.000 0.748 290 L CB -0.716 41.061 42.059 -0.470 0.000 0.891 290 L HN 0.150 nan 8.230 nan 0.000 0.431 291 E N -1.475 118.515 120.200 -0.350 0.000 2.285 291 E HA -0.069 4.280 4.350 -0.001 0.000 0.194 291 E C 1.878 178.263 176.600 -0.358 0.000 0.997 291 E CA 0.991 57.215 56.400 -0.293 0.000 0.845 291 E CB 0.087 29.645 29.700 -0.237 0.000 0.782 291 E HN 0.479 nan 8.360 nan 0.000 0.491 292 S N 0.163 115.523 115.700 -0.566 0.000 2.503 292 S HA 0.149 4.618 4.470 -0.001 0.000 0.215 292 S C 1.463 175.838 174.600 -0.376 0.000 1.003 292 S CA 0.208 58.059 58.200 -0.582 0.000 0.910 292 S CB 0.839 63.381 63.200 -1.096 0.000 0.790 292 S HN 0.213 nan 8.310 nan 0.000 0.514 293 A N 1.456 124.052 122.820 -0.374 0.000 2.532 293 A HA 0.584 4.904 4.320 -0.001 0.000 0.273 293 A C 1.802 179.365 177.584 -0.035 0.000 1.342 293 A CA 0.272 52.211 52.037 -0.164 0.000 0.929 293 A CB -0.865 17.992 19.000 -0.238 0.000 1.051 293 A HN 0.398 nan 8.150 nan 0.000 0.521 294 G N 0.408 109.175 108.800 -0.054 0.000 2.529 294 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.219 294 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.219 294 G C 1.358 176.272 174.900 0.023 0.000 1.177 294 G CA 1.258 46.341 45.100 -0.028 0.000 0.773 294 G HN 0.639 nan 8.290 nan 0.000 0.573 295 E N -0.266 119.974 120.200 0.067 0.000 2.085 295 E HA -0.127 4.223 4.350 -0.001 0.000 0.194 295 E C 2.558 179.264 176.600 0.176 0.000 0.994 295 E CA 0.844 57.313 56.400 0.115 0.000 0.801 295 E CB -0.070 29.709 29.700 0.131 0.000 0.743 295 E HN 0.370 nan 8.360 nan 0.000 0.453 296 I N 0.989 121.679 120.570 0.200 0.000 2.315 296 I HA -0.228 3.941 4.170 -0.001 0.000 0.248 296 I C 2.346 178.503 176.117 0.067 0.000 1.117 296 I CA 0.998 62.437 61.300 0.232 0.000 1.404 296 I CB -1.054 37.093 38.000 0.245 0.000 1.071 296 I HN 0.244 nan 8.210 nan 0.000 0.419 297 L N -0.047 121.191 121.223 0.024 0.000 2.201 297 L HA -0.143 4.197 4.340 -0.001 0.000 0.212 297 L C 2.570 179.410 176.870 -0.050 0.000 1.105 297 L CA 0.563 55.384 54.840 -0.031 0.000 0.775 297 L CB -0.497 41.532 42.059 -0.050 0.000 0.913 297 L HN 0.040 nan 8.230 nan 0.000 0.440 298 V N -0.235 119.654 119.914 -0.041 0.000 2.427 298 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 298 V C 2.476 178.487 176.094 -0.139 0.000 1.051 298 V CA 1.805 64.066 62.300 -0.065 0.000 1.048 298 V CB -0.320 31.484 31.823 -0.032 0.000 0.666 298 V HN 0.411 nan 8.190 nan 0.000 0.456 299 E N 0.922 120.980 120.200 -0.236 0.000 2.077 299 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 299 E C 2.149 178.598 176.600 -0.252 0.000 0.989 299 E CA 1.573 57.717 56.400 -0.428 0.000 0.800 299 E CB -0.475 28.640 29.700 -0.974 0.000 0.746 299 E HN 0.498 nan 8.360 nan 0.000 0.452 300 A N 0.954 123.678 122.820 -0.160 0.000 1.908 300 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 300 A C 1.888 179.418 177.584 -0.090 0.000 1.181 300 A CA 2.012 53.984 52.037 -0.108 0.000 0.627 300 A CB -0.876 18.077 19.000 -0.078 0.000 0.818 300 A HN 0.310 nan 8.150 nan 0.000 0.445 301 D N -0.117 120.233 120.400 -0.083 0.000 2.106 301 D HA -0.171 4.468 4.640 -0.001 0.000 0.191 301 D C 1.900 178.159 176.300 -0.068 0.000 0.997 301 D CA 1.751 55.714 54.000 -0.063 0.000 0.834 301 D CB -0.347 40.420 40.800 -0.056 0.000 0.956 301 D HN 0.533 nan 8.370 nan 0.000 0.448 302 K N -0.009 120.334 120.400 -0.094 0.000 2.147 302 K HA -0.004 4.315 4.320 -0.001 0.000 0.205 302 K C 2.101 178.654 176.600 -0.079 0.000 1.049 302 K CA 0.466 56.700 56.287 -0.090 0.000 0.936 302 K CB -0.074 32.353 32.500 -0.122 0.000 0.722 302 K HN 0.143 nan 8.250 nan 0.000 0.446 303 L N -0.276 120.892 121.223 -0.092 0.000 2.552 303 L HA 0.042 4.382 4.340 -0.001 0.000 0.227 303 L C 1.021 177.863 176.870 -0.047 0.000 1.146 303 L CA 0.445 55.242 54.840 -0.072 0.000 0.858 303 L CB -0.099 41.908 42.059 -0.087 0.000 0.969 303 L HN 0.481 nan 8.230 nan 0.000 0.451 304 G N 0.747 109.521 108.800 -0.043 0.000 2.136 304 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.242 304 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.242 304 G C 0.111 174.999 174.900 -0.019 0.000 0.989 304 G CA -0.151 44.934 45.100 -0.025 0.000 0.682 304 G HN 0.291 nan 8.290 nan 0.000 0.522 305 I N 1.786 122.337 120.570 -0.032 0.000 2.428 305 I HA 0.467 4.636 4.170 -0.001 0.000 0.296 305 I C 1.244 177.346 176.117 -0.024 0.000 0.985 305 I CA -0.394 60.888 61.300 -0.030 0.000 1.260 305 I CB 1.702 39.669 38.000 -0.054 0.000 1.389 305 I HN 0.320 nan 8.210 nan 0.000 0.484 306 S N 5.394 121.091 115.700 -0.005 0.000 2.579 306 S HA 0.220 4.689 4.470 -0.001 0.000 0.275 306 S C 1.033 175.621 174.600 -0.020 0.000 1.345 306 S CA -0.445 57.760 58.200 0.008 0.000 1.031 306 S CB 1.001 64.235 63.200 0.057 0.000 0.892 306 S HN 0.641 nan 8.310 nan 0.000 0.529 307 R N 0.875 121.367 120.500 -0.013 0.000 2.120 307 R HA -0.108 4.232 4.340 -0.001 0.000 0.234 307 R C 2.349 178.630 176.300 -0.031 0.000 1.123 307 R CA 1.561 57.640 56.100 -0.035 0.000 0.975 307 R CB -0.383 29.897 30.300 -0.034 0.000 0.866 307 R HN 0.930 nan 8.270 nan 0.000 0.446 308 E N 1.296 121.520 120.200 0.040 0.000 2.038 308 E HA -0.272 4.078 4.350 -0.001 0.000 0.195 308 E C 1.916 178.505 176.600 -0.018 0.000 1.000 308 E CA 1.563 58.032 56.400 0.114 0.000 0.803 308 E CB 0.056 29.891 29.700 0.224 0.000 0.750 308 E HN 0.342 nan 8.360 nan 0.000 0.448 309 E N -0.147 119.945 120.200 -0.181 0.000 2.077 309 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 309 E C 1.961 178.404 176.600 -0.261 0.000 0.989 309 E CA 1.046 57.121 56.400 -0.542 0.000 0.800 309 E CB -0.201 29.203 29.700 -0.495 0.000 0.746 309 E HN 0.347 nan 8.360 nan 0.000 0.452 310 A N 0.321 123.049 122.820 -0.153 0.000 1.883 310 A HA -0.215 4.105 4.320 -0.001 0.000 0.217 310 A C 2.415 179.928 177.584 -0.118 0.000 1.186 310 A CA 2.238 54.207 52.037 -0.113 0.000 0.624 310 A CB -1.120 17.827 19.000 -0.089 0.000 0.822 310 A HN 0.374 nan 8.150 nan 0.000 0.444 311 T N -0.897 113.559 114.554 -0.164 0.000 2.746 311 T HA -0.141 4.209 4.350 -0.001 0.000 0.267 311 T C 1.706 176.274 174.700 -0.219 0.000 1.039 311 T CA 1.875 63.808 62.100 -0.279 0.000 1.142 311 T CB -0.489 68.054 68.868 -0.541 0.000 0.866 311 T HN 0.747 nan 8.240 nan 0.000 0.444 312 H N 0.895 119.992 119.070 0.045 0.000 2.387 312 H HA -0.026 4.529 4.556 -0.001 0.000 0.299 312 H C 2.364 177.729 175.328 0.061 0.000 1.099 312 H CA 1.495 57.623 56.048 0.134 0.000 1.315 312 H CB -0.088 29.773 29.762 0.164 0.000 1.380 312 H HN 0.317 nan 8.280 nan 0.000 0.513 313 N N -0.193 118.555 118.700 0.079 0.000 2.216 313 N HA -0.060 4.679 4.740 -0.001 0.000 0.183 313 N C 1.492 177.027 175.510 0.042 0.000 1.017 313 N CA 0.564 53.647 53.050 0.055 0.000 0.861 313 N CB 0.062 38.533 38.487 -0.027 0.000 0.986 313 N HN 0.213 nan 8.380 nan 0.000 0.428 314 L N 0.308 121.500 121.223 -0.052 0.000 2.056 314 L HA -0.092 4.248 4.340 -0.001 0.000 0.207 314 L C 2.217 178.888 176.870 -0.332 0.000 1.078 314 L CA 0.710 55.505 54.840 -0.075 0.000 0.749 314 L CB -0.449 41.597 42.059 -0.022 0.000 0.901 314 L HN 0.260 nan 8.230 nan 0.000 0.433 315 L N -0.846 119.982 121.223 -0.659 0.000 1.989 315 L HA -0.293 4.047 4.340 -0.001 0.000 0.211 315 L C 2.573 179.278 176.870 -0.275 0.000 1.071 315 L CA 1.666 55.863 54.840 -1.072 0.000 0.749 315 L CB -0.286 41.317 42.059 -0.761 0.000 0.890 315 L HN 0.106 nan 8.230 nan 0.000 0.431 316 F N 0.278 120.208 119.950 -0.033 0.000 2.102 316 F HA -0.232 4.294 4.527 -0.001 0.000 0.298 316 F C 2.399 178.373 175.800 0.289 0.000 1.105 316 F CA 1.662 59.831 58.000 0.282 0.000 1.239 316 F CB -0.295 38.874 39.000 0.282 0.000 0.991 316 F HN 0.166 nan 8.300 nan 0.000 0.474 317 A N -0.937 122.128 122.820 0.409 0.000 1.972 317 A HA -0.147 4.172 4.320 -0.001 0.000 0.219 317 A C 2.114 179.889 177.584 0.319 0.000 1.169 317 A CA 2.176 54.413 52.037 0.334 0.000 0.635 317 A CB -1.242 17.867 19.000 0.182 0.000 0.810 317 A HN 0.436 nan 8.150 nan 0.000 0.446 318 T N -1.473 113.260 114.554 0.298 0.000 2.851 318 T HA -0.089 4.261 4.350 -0.001 0.000 0.262 318 T C 1.871 176.859 174.700 0.480 0.000 1.043 318 T CA 1.479 63.855 62.100 0.459 0.000 1.140 318 T CB -0.381 68.875 68.868 0.648 0.000 0.872 318 T HN 0.571 nan 8.240 nan 0.000 0.446 319 C N -0.010 119.524 119.300 0.390 0.000 2.541 319 C HA 0.335 4.794 4.460 -0.001 0.000 0.284 319 C C 2.252 177.551 174.990 0.515 0.000 1.341 319 C CA -0.588 58.692 59.018 0.437 0.000 1.732 319 C CB -1.074 26.827 27.740 0.269 0.000 2.126 319 C HN 0.556 nan 8.230 nan 0.000 0.505 320 F N 2.176 122.247 119.950 0.201 0.000 2.104 320 F HA -0.008 4.518 4.527 -0.001 0.000 0.288 320 F C 2.119 177.966 175.800 0.077 0.000 1.107 320 F CA 1.896 59.881 58.000 -0.026 0.000 1.208 320 F CB -0.412 38.069 39.000 -0.865 0.000 1.033 320 F HN 0.200 nan 8.300 nan 0.000 0.478 321 N N -0.786 118.182 118.700 0.446 0.000 2.062 321 N HA -0.140 4.599 4.740 -0.001 0.000 0.191 321 N C 1.549 177.254 175.510 0.326 0.000 1.042 321 N CA 2.187 55.488 53.050 0.419 0.000 0.845 321 N CB -0.446 38.297 38.487 0.425 0.000 1.024 321 N HN 0.196 nan 8.380 nan 0.000 0.424 322 T N -0.609 114.160 114.554 0.357 0.000 2.735 322 T HA -0.119 4.231 4.350 -0.001 0.000 0.256 322 T C 1.377 176.261 174.700 0.306 0.000 1.042 322 T CA 0.784 63.092 62.100 0.346 0.000 1.147 322 T CB -0.572 68.530 68.868 0.390 0.000 0.865 322 T HN 0.392 nan 8.240 nan 0.000 0.421 323 W N 1.990 123.401 121.300 0.184 0.000 2.358 323 W HA 0.025 4.684 4.660 -0.001 0.000 0.303 323 W C 2.425 178.983 176.519 0.065 0.000 1.208 323 W CA 1.237 58.667 57.345 0.142 0.000 1.274 323 W CB -0.748 28.862 29.460 0.249 0.000 1.138 323 W HN 0.286 nan 8.180 nan 0.000 0.515 324 G N 0.164 109.109 108.800 0.243 0.000 2.418 324 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.217 324 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.217 324 G C 1.671 176.486 174.900 -0.141 0.000 1.158 324 G CA 1.134 46.204 45.100 -0.050 0.000 0.771 324 G HN 0.498 nan 8.290 nan 0.000 0.545 325 G N 0.691 109.478 108.800 -0.022 0.000 2.418 325 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.217 325 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.217 325 G C 1.898 176.734 174.900 -0.107 0.000 1.158 325 G CA 0.957 46.058 45.100 0.002 0.000 0.771 325 G HN 0.422 nan 8.290 nan 0.000 0.545 326 M N 0.076 119.552 119.600 -0.206 0.000 2.229 326 M HA 0.024 4.503 4.480 -0.001 0.000 0.264 326 M C 2.451 178.484 176.300 -0.444 0.000 1.063 326 M CA 1.345 56.377 55.300 -0.446 0.000 1.114 326 M CB -0.165 32.075 32.600 -0.600 0.000 1.387 326 M HN 0.202 nan 8.290 nan 0.000 0.420 327 K N 1.177 121.266 120.400 -0.518 0.000 2.103 327 K HA -0.158 4.162 4.320 -0.001 0.000 0.207 327 K C 1.526 177.991 176.600 -0.225 0.000 1.048 327 K CA 1.385 57.367 56.287 -0.508 0.000 0.930 327 K CB -0.058 31.972 32.500 -0.784 0.000 0.716 327 K HN 0.310 nan 8.250 nan 0.000 0.444 328 I N 0.246 120.727 120.570 -0.150 0.000 2.339 328 I HA -0.193 3.977 4.170 -0.001 0.000 0.245 328 I C 2.193 178.327 176.117 0.027 0.000 1.096 328 I CA 0.264 61.543 61.300 -0.035 0.000 1.408 328 I CB -0.194 37.803 38.000 -0.005 0.000 1.092 328 I HN 0.151 nan 8.210 nan 0.000 0.423 329 L N 0.435 121.672 121.223 0.024 0.000 1.994 329 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 329 L C 2.276 179.296 176.870 0.249 0.000 1.071 329 L CA 2.060 56.968 54.840 0.113 0.000 0.745 329 L CB -0.700 41.411 42.059 0.087 0.000 0.892 329 L HN 0.012 nan 8.230 nan 0.000 0.431 330 F N 0.167 120.072 119.950 -0.075 0.000 2.102 330 F HA -0.022 4.504 4.527 -0.001 0.000 0.298 330 F C -0.193 175.656 175.800 0.083 0.000 1.105 330 F CA 0.878 58.811 58.000 -0.110 0.000 1.239 330 F CB -2.503 36.297 39.000 -0.332 0.000 0.991 330 F HN 0.189 nan 8.300 nan 0.000 0.474 331 P HA -0.136 nan 4.420 nan 0.000 0.217 331 P C 1.062 178.418 177.300 0.093 0.000 1.150 331 P CA 1.746 64.990 63.100 0.240 0.000 0.832 331 P CB -0.187 31.654 31.700 0.236 0.000 0.787 332 N N -1.162 117.604 118.700 0.109 0.000 2.166 332 N HA -0.111 4.629 4.740 -0.001 0.000 0.186 332 N C 1.719 177.270 175.510 0.068 0.000 1.019 332 N CA 1.043 54.144 53.050 0.085 0.000 0.856 332 N CB -0.352 38.198 38.487 0.105 0.000 0.993 332 N HN 0.124 nan 8.380 nan 0.000 0.426 333 M N 0.223 119.887 119.600 0.107 0.000 2.117 333 M HA -0.132 4.348 4.480 -0.001 0.000 0.262 333 M C 2.126 178.466 176.300 0.067 0.000 1.065 333 M CA 1.121 56.487 55.300 0.111 0.000 1.114 333 M CB -0.168 32.537 32.600 0.175 0.000 1.361 333 M HN 0.011 nan 8.290 nan 0.000 0.408 334 V N 0.709 120.624 119.914 0.003 0.000 2.295 334 V HA -0.301 3.819 4.120 -0.001 0.000 0.246 334 V C 2.356 178.467 176.094 0.027 0.000 1.049 334 V CA 2.037 64.273 62.300 -0.107 0.000 1.024 334 V CB -0.765 30.733 31.823 -0.543 0.000 0.648 334 V HN 0.478 nan 8.190 nan 0.000 0.447 335 K N -0.267 120.115 120.400 -0.030 0.000 2.002 335 K HA -0.202 4.117 4.320 -0.001 0.000 0.209 335 K C 2.441 179.000 176.600 -0.068 0.000 1.048 335 K CA 1.430 57.704 56.287 -0.021 0.000 0.930 335 K CB -0.086 32.405 32.500 -0.015 0.000 0.714 335 K HN 0.209 nan 8.250 nan 0.000 0.438 336 R N 0.525 120.925 120.500 -0.167 0.000 2.075 336 R HA 0.022 4.361 4.340 -0.001 0.000 0.226 336 R C 2.369 178.345 176.300 -0.541 0.000 1.114 336 R CA 1.081 56.875 56.100 -0.509 0.000 0.972 336 R CB -0.586 29.233 30.300 -0.800 0.000 0.869 336 R HN 0.363 nan 8.270 nan 0.000 0.437 337 I N 0.150 120.613 120.570 -0.179 0.000 2.315 337 I HA -0.156 4.014 4.170 -0.001 0.000 0.248 337 I C 2.455 178.673 176.117 0.167 0.000 1.117 337 I CA 1.408 62.764 61.300 0.094 0.000 1.404 337 I CB -0.723 37.452 38.000 0.292 0.000 1.071 337 I HN 0.220 nan 8.210 nan 0.000 0.419 338 G N 0.943 109.835 108.800 0.154 0.000 2.491 338 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.218 338 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.218 338 G C 1.782 176.658 174.900 -0.039 0.000 1.180 338 G CA 0.574 45.696 45.100 0.037 0.000 0.774 338 G HN 0.314 nan 8.290 nan 0.000 0.562 339 R N 0.507 120.959 120.500 -0.079 0.000 2.237 339 R HA 0.152 4.491 4.340 -0.001 0.000 0.219 339 R C 2.802 179.010 176.300 -0.152 0.000 1.080 339 R CA 0.629 56.653 56.100 -0.126 0.000 0.995 339 R CB -0.180 30.041 30.300 -0.131 0.000 0.875 339 R HN 0.360 nan 8.270 nan 0.000 0.462 340 A N 1.066 123.808 122.820 -0.129 0.000 2.121 340 A HA 0.138 4.457 4.320 -0.001 0.000 0.218 340 A C 1.033 178.496 177.584 -0.202 0.000 1.154 340 A CA 1.096 53.091 52.037 -0.070 0.000 0.679 340 A CB -0.309 18.754 19.000 0.105 0.000 0.795 340 A HN 0.447 nan 8.150 nan 0.000 0.458 341 G N -2.647 105.913 108.800 -0.399 0.000 2.707 341 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.686 341 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.686 341 G C 0.049 174.495 174.900 -0.758 0.000 1.315 341 G CA 0.062 44.830 45.100 -0.553 0.000 0.832 341 G HN 0.585 nan 8.290 nan 0.000 0.573 342 H N 0.317 119.056 119.070 -0.551 0.000 2.457 342 H HA -0.056 4.499 4.556 -0.001 0.000 0.294 342 H C 2.780 177.960 175.328 -0.246 0.000 1.064 342 H CA 1.749 57.544 56.048 -0.422 0.000 1.330 342 H CB 0.264 29.913 29.762 -0.189 0.000 1.395 342 H HN 0.534 nan 8.280 nan 0.000 0.541 343 Q N 0.360 120.098 119.800 -0.102 0.000 2.079 343 Q HA -0.096 4.243 4.340 -0.001 0.000 0.200 343 Q C 2.527 178.472 176.000 -0.091 0.000 0.974 343 Q CA 1.232 56.990 55.803 -0.075 0.000 0.840 343 Q CB -0.028 28.664 28.738 -0.077 0.000 0.898 343 Q HN 0.246 nan 8.270 nan 0.000 0.430 344 V N 0.463 120.301 119.914 -0.126 0.000 2.343 344 V HA -0.306 3.813 4.120 -0.001 0.000 0.247 344 V C 1.844 177.876 176.094 -0.103 0.000 1.051 344 V CA 2.109 64.350 62.300 -0.098 0.000 1.036 344 V CB -0.702 31.087 31.823 -0.055 0.000 0.654 344 V HN 0.504 nan 8.190 nan 0.000 0.451 345 H N 0.095 119.048 119.070 -0.195 0.000 2.319 345 H HA -0.164 4.391 4.556 -0.001 0.000 0.299 345 H C 2.345 177.482 175.328 -0.318 0.000 1.092 345 H CA 1.455 57.324 56.048 -0.300 0.000 1.302 345 H CB -0.021 29.762 29.762 0.035 0.000 1.373 345 H HN 0.408 nan 8.280 nan 0.000 0.497 346 N N 0.774 119.465 118.700 -0.016 0.000 2.120 346 N HA -0.105 4.635 4.740 -0.001 0.000 0.188 346 N C 1.868 177.317 175.510 -0.102 0.000 1.024 346 N CA 0.853 53.878 53.050 -0.041 0.000 0.852 346 N CB -0.227 38.249 38.487 -0.017 0.000 1.003 346 N HN 0.367 nan 8.380 nan 0.000 0.424 347 R N 0.430 120.855 120.500 -0.125 0.000 2.081 347 R HA 0.027 4.366 4.340 -0.001 0.000 0.235 347 R C 2.245 178.436 176.300 -0.182 0.000 1.131 347 R CA 0.681 56.706 56.100 -0.126 0.000 0.960 347 R CB -0.457 29.779 30.300 -0.106 0.000 0.856 347 R HN 0.225 nan 8.270 nan 0.000 0.436 348 L N 0.205 121.235 121.223 -0.322 0.000 2.017 348 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 348 L C 2.725 179.404 176.870 -0.319 0.000 1.073 348 L CA 1.368 55.948 54.840 -0.433 0.000 0.745 348 L CB -0.589 40.918 42.059 -0.920 0.000 0.894 348 L HN 0.229 nan 8.230 nan 0.000 0.432 349 A N -0.131 122.506 122.820 -0.305 0.000 1.908 349 A HA -0.282 4.037 4.320 -0.001 0.000 0.218 349 A C 2.175 179.728 177.584 -0.051 0.000 1.181 349 A CA 2.073 54.073 52.037 -0.061 0.000 0.627 349 A CB -0.533 18.490 19.000 0.039 0.000 0.818 349 A HN 0.436 nan 8.150 nan 0.000 0.445 350 E N 0.239 120.397 120.200 -0.070 0.000 2.051 350 E HA -0.218 4.132 4.350 -0.001 0.000 0.192 350 E C 1.962 178.533 176.600 -0.049 0.000 0.991 350 E CA 1.824 58.195 56.400 -0.050 0.000 0.799 350 E CB -0.360 29.311 29.700 -0.048 0.000 0.748 350 E HN 0.704 nan 8.360 nan 0.000 0.449 351 E N -0.070 120.090 120.200 -0.065 0.000 2.038 351 E HA -0.210 4.139 4.350 -0.001 0.000 0.195 351 E C 2.195 178.770 176.600 -0.043 0.000 1.000 351 E CA 1.763 58.130 56.400 -0.054 0.000 0.803 351 E CB -0.280 29.380 29.700 -0.067 0.000 0.750 351 E HN 0.407 nan 8.360 nan 0.000 0.448 352 I N 0.658 121.200 120.570 -0.047 0.000 2.142 352 I HA -0.291 3.878 4.170 -0.001 0.000 0.240 352 I C 2.764 178.867 176.117 -0.022 0.000 1.078 352 I CA 1.296 62.578 61.300 -0.031 0.000 1.343 352 I CB -0.290 37.701 38.000 -0.015 0.000 1.046 352 I HN 0.102 nan 8.210 nan 0.000 0.405 353 R N -0.075 120.412 120.500 -0.021 0.000 2.075 353 R HA -0.124 4.215 4.340 -0.001 0.000 0.232 353 R C 2.497 178.787 176.300 -0.017 0.000 1.126 353 R CA 1.582 57.670 56.100 -0.020 0.000 0.963 353 R CB -0.678 29.610 30.300 -0.020 0.000 0.858 353 R HN 0.308 nan 8.270 nan 0.000 0.435 354 S N 0.700 116.389 115.700 -0.019 0.000 2.356 354 S HA -0.094 4.375 4.470 -0.001 0.000 0.223 354 S C 2.120 176.713 174.600 -0.012 0.000 1.032 354 S CA 1.162 59.353 58.200 -0.016 0.000 1.005 354 S CB -0.114 63.075 63.200 -0.019 0.000 0.867 354 S HN 0.103 nan 8.310 nan 0.000 0.449 355 V N 2.042 121.948 119.914 -0.013 0.000 2.343 355 V HA -0.149 3.970 4.120 -0.001 0.000 0.247 355 V C 2.282 178.375 176.094 -0.002 0.000 1.051 355 V CA 1.971 64.267 62.300 -0.007 0.000 1.036 355 V CB -0.632 31.185 31.823 -0.009 0.000 0.654 355 V HN 0.519 nan 8.190 nan 0.000 0.451 356 I N -0.255 120.314 120.570 -0.003 0.000 2.226 356 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 356 I C 2.573 178.691 176.117 0.002 0.000 1.100 356 I CA 1.788 63.090 61.300 0.004 0.000 1.374 356 I CB -0.435 37.566 38.000 0.002 0.000 1.057 356 I HN 0.276 nan 8.210 nan 0.000 0.413 357 K N 0.897 121.295 120.400 -0.003 0.000 2.026 357 K HA -0.172 4.147 4.320 -0.001 0.000 0.208 357 K C 2.207 178.806 176.600 -0.002 0.000 1.048 357 K CA 1.866 58.151 56.287 -0.004 0.000 0.929 357 K CB -0.028 32.467 32.500 -0.007 0.000 0.713 357 K HN 0.128 nan 8.250 nan 0.000 0.439 358 S N 0.915 116.613 115.700 -0.002 0.000 2.447 358 S HA -0.092 4.377 4.470 -0.001 0.000 0.233 358 S C 1.264 175.864 174.600 0.001 0.000 1.006 358 S CA 1.030 59.229 58.200 -0.002 0.000 0.957 358 S CB -0.239 62.959 63.200 -0.002 0.000 0.773 358 S HN 0.370 nan 8.310 nan 0.000 0.507 359 N N 0.541 119.243 118.700 0.003 0.000 2.370 359 N HA 0.154 4.893 4.740 -0.001 0.000 0.198 359 N C 0.894 176.407 175.510 0.006 0.000 1.156 359 N CA 0.578 53.632 53.050 0.006 0.000 0.839 359 N CB -0.046 38.448 38.487 0.011 0.000 0.989 359 N HN 0.350 nan 8.380 nan 0.000 0.468 360 G N -1.119 107.683 108.800 0.004 0.000 2.143 360 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.249 360 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.249 360 G C 0.833 175.736 174.900 0.006 0.000 0.981 360 G CA 0.131 45.233 45.100 0.004 0.000 0.665 360 G HN 0.988 nan 8.290 nan 0.000 0.528 361 G N -1.643 107.161 108.800 0.007 0.000 2.176 361 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.253 361 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.253 361 G C -0.091 174.820 174.900 0.017 0.000 0.979 361 G CA 0.918 46.023 45.100 0.009 0.000 0.641 361 G HN 1.122 nan 8.290 nan 0.000 0.530 362 E N -0.713 119.501 120.200 0.023 0.000 2.288 362 E HA 0.598 4.948 4.350 -0.001 0.000 0.268 362 E C -0.762 175.871 176.600 0.056 0.000 0.885 362 E CA -1.099 55.324 56.400 0.039 0.000 0.767 362 E CB 2.343 32.062 29.700 0.032 0.000 1.220 362 E HN 0.231 nan 8.360 nan 0.000 0.427 363 L N 2.160 123.443 121.223 0.101 0.000 2.265 363 L HA 0.316 4.655 4.340 -0.001 0.000 0.288 363 L C -0.163 176.833 176.870 0.211 0.000 1.058 363 L CA 0.260 55.195 54.840 0.158 0.000 0.809 363 L CB 0.680 42.850 42.059 0.186 0.000 1.179 363 L HN 0.635 nan 8.230 nan 0.000 0.429 364 T N 1.512 116.155 114.554 0.149 0.000 2.907 364 T HA 0.354 4.704 4.350 -0.001 0.000 0.290 364 T C 1.166 175.945 174.700 0.131 0.000 1.066 364 T CA -0.939 61.191 62.100 0.049 0.000 1.012 364 T CB 1.105 69.962 68.868 -0.019 0.000 1.184 364 T HN 0.457 nan 8.240 nan 0.000 0.522 365 M N 0.928 120.557 119.600 0.048 0.000 2.108 365 M HA 0.009 4.488 4.480 -0.001 0.000 0.261 365 M C 2.548 178.887 176.300 0.066 0.000 1.066 365 M CA 2.243 57.608 55.300 0.109 0.000 1.107 365 M CB -1.961 30.668 32.600 0.047 0.000 1.356 365 M HN 0.982 nan 8.290 nan 0.000 0.406 366 G N -0.146 108.673 108.800 0.031 0.000 2.422 366 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.218 366 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.218 366 G C 1.691 176.608 174.900 0.028 0.000 1.146 366 G CA 1.262 46.377 45.100 0.024 0.000 0.769 366 G HN 0.552 nan 8.290 nan 0.000 0.547 367 A N 0.915 123.757 122.820 0.036 0.000 1.877 367 A HA 0.026 4.346 4.320 -0.001 0.000 0.216 367 A C 2.394 179.993 177.584 0.025 0.000 1.186 367 A CA 1.322 53.378 52.037 0.031 0.000 0.620 367 A CB -0.392 18.632 19.000 0.040 0.000 0.822 367 A HN 0.372 nan 8.150 nan 0.000 0.443 368 I N -0.168 120.425 120.570 0.039 0.000 2.208 368 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 368 I C 2.200 178.318 176.117 0.001 0.000 1.097 368 I CA 1.303 62.608 61.300 0.008 0.000 1.363 368 I CB -0.399 37.607 38.000 0.010 0.000 1.051 368 I HN 0.282 nan 8.210 nan 0.000 0.413 369 E N 1.119 121.331 120.200 0.019 0.000 2.265 369 E HA -0.180 4.169 4.350 -0.001 0.000 0.196 369 E C 1.833 178.444 176.600 0.019 0.000 0.996 369 E CA 0.991 57.404 56.400 0.022 0.000 0.832 369 E CB -0.164 29.555 29.700 0.031 0.000 0.756 369 E HN 0.546 nan 8.360 nan 0.000 0.491 370 K N -0.212 120.196 120.400 0.012 0.000 2.426 370 K HA 0.167 4.486 4.320 -0.001 0.000 0.193 370 K C 0.731 177.331 176.600 0.000 0.000 1.028 370 K CA 0.067 56.360 56.287 0.009 0.000 1.047 370 K CB 0.154 32.658 32.500 0.007 0.000 0.821 370 K HN 0.058 nan 8.250 nan 0.000 0.513 371 M N 1.643 121.239 119.600 -0.008 0.000 3.176 371 M HA 0.077 4.557 4.480 -0.001 0.000 0.284 371 M C 0.322 176.612 176.300 -0.017 0.000 1.392 371 M CA 0.103 55.390 55.300 -0.021 0.000 1.520 371 M CB 0.268 32.846 32.600 -0.037 0.000 1.100 371 M HN 0.073 nan 8.290 nan 0.000 0.555 372 E N 0.890 121.088 120.200 -0.003 0.000 2.051 372 E HA -0.216 4.133 4.350 -0.001 0.000 0.192 372 E C 1.752 178.361 176.600 0.015 0.000 0.991 372 E CA 1.116 57.528 56.400 0.019 0.000 0.799 372 E CB 0.073 29.788 29.700 0.025 0.000 0.748 372 E HN 0.544 nan 8.360 nan 0.000 0.449 373 L N 0.978 122.194 121.223 -0.012 0.000 2.093 373 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 373 L C 2.200 179.051 176.870 -0.031 0.000 1.085 373 L CA 1.792 56.619 54.840 -0.023 0.000 0.755 373 L CB -0.565 41.461 42.059 -0.054 0.000 0.904 373 L HN 0.032 nan 8.230 nan 0.000 0.435 374 T N -0.386 114.137 114.554 -0.051 0.000 2.708 374 T HA -0.199 4.151 4.350 -0.001 0.000 0.266 374 T C 1.881 176.528 174.700 -0.088 0.000 1.037 374 T CA 1.724 63.785 62.100 -0.065 0.000 1.146 374 T CB -0.141 68.684 68.868 -0.072 0.000 0.865 374 T HN 0.344 nan 8.240 nan 0.000 0.435 375 K N 0.896 121.242 120.400 -0.091 0.000 2.057 375 K HA -0.053 4.266 4.320 -0.001 0.000 0.207 375 K C 2.774 179.285 176.600 -0.148 0.000 1.049 375 K CA 1.311 57.486 56.287 -0.186 0.000 0.931 375 K CB -0.303 32.145 32.500 -0.087 0.000 0.714 375 K HN 0.194 nan 8.250 nan 0.000 0.440 376 S N 0.799 116.538 115.700 0.064 0.000 2.355 376 S HA -0.109 4.361 4.470 -0.001 0.000 0.222 376 S C 1.988 176.685 174.600 0.162 0.000 1.031 376 S CA 1.110 59.452 58.200 0.237 0.000 0.993 376 S CB -0.173 63.146 63.200 0.198 0.000 0.859 376 S HN 0.191 nan 8.310 nan 0.000 0.453 377 V N 1.403 121.343 119.914 0.043 0.000 2.626 377 V HA -0.048 4.071 4.120 -0.001 0.000 0.252 377 V C 2.174 178.314 176.094 0.077 0.000 1.067 377 V CA 1.724 64.047 62.300 0.038 0.000 1.081 377 V CB -0.278 31.588 31.823 0.071 0.000 0.686 377 V HN 0.459 nan 8.190 nan 0.000 0.468 378 V N -0.588 119.312 119.914 -0.024 0.000 2.307 378 V HA -0.216 3.903 4.120 -0.001 0.000 0.245 378 V C 2.249 178.310 176.094 -0.055 0.000 1.045 378 V CA 2.241 64.489 62.300 -0.087 0.000 1.024 378 V CB -0.879 30.797 31.823 -0.245 0.000 0.651 378 V HN 0.601 nan 8.190 nan 0.000 0.449 379 Y N 0.657 120.916 120.300 -0.069 0.000 2.224 379 Y HA -0.205 4.344 4.550 -0.001 0.000 0.289 379 Y C 2.557 178.411 175.900 -0.077 0.000 1.146 379 Y CA 1.661 59.634 58.100 -0.211 0.000 1.182 379 Y CB -0.605 37.506 38.460 -0.581 0.000 0.983 379 Y HN 0.328 nan 8.280 nan 0.000 0.524 380 E N -0.614 119.737 120.200 0.252 0.000 2.150 380 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 380 E C 2.146 178.898 176.600 0.253 0.000 0.985 380 E CA 1.317 57.834 56.400 0.196 0.000 0.814 380 E CB -0.488 29.086 29.700 -0.210 0.000 0.752 380 E HN 0.400 nan 8.360 nan 0.000 0.466 381 C N -0.107 119.394 119.300 0.334 0.000 2.429 381 C HA -0.040 4.419 4.460 -0.001 0.000 0.277 381 C C 2.545 177.706 174.990 0.284 0.000 1.262 381 C CA 0.628 59.905 59.018 0.431 0.000 1.733 381 C CB -1.060 26.854 27.740 0.289 0.000 2.010 381 C HN 0.450 nan 8.230 nan 0.000 0.483 382 L N 0.291 121.615 121.223 0.169 0.000 2.141 382 L HA -0.107 4.233 4.340 -0.001 0.000 0.209 382 L C 2.853 179.841 176.870 0.197 0.000 1.094 382 L CA 1.300 56.214 54.840 0.124 0.000 0.763 382 L CB -0.694 41.368 42.059 0.005 0.000 0.908 382 L HN 0.353 nan 8.230 nan 0.000 0.437 383 R N -0.149 120.472 120.500 0.202 0.000 2.062 383 R HA -0.176 4.163 4.340 -0.001 0.000 0.229 383 R C 2.409 178.794 176.300 0.141 0.000 1.128 383 R CA 1.457 57.647 56.100 0.149 0.000 0.960 383 R CB -0.313 30.062 30.300 0.124 0.000 0.855 383 R HN 0.198 nan 8.270 nan 0.000 0.432 384 F N 1.253 121.253 119.950 0.084 0.000 2.146 384 F HA -0.017 4.510 4.527 -0.001 0.000 0.298 384 F C 0.180 176.036 175.800 0.094 0.000 1.096 384 F CA 1.332 59.395 58.000 0.106 0.000 1.275 384 F CB 0.366 39.532 39.000 0.277 0.000 1.008 384 F HN 0.005 nan 8.300 nan 0.000 0.480 385 E N 0.551 120.849 120.200 0.164 0.000 3.132 385 E HA 0.221 4.570 4.350 -0.001 0.000 0.241 385 E C -2.484 174.166 176.600 0.084 0.000 1.196 385 E CA -2.210 54.220 56.400 0.050 0.000 0.869 385 E CB 0.939 30.713 29.700 0.124 0.000 1.387 385 E HN -0.015 nan 8.360 nan 0.000 0.393 386 P HA -0.040 nan 4.420 nan 0.000 0.261 386 P C -2.033 175.333 177.300 0.110 0.000 1.183 386 P CA -0.813 62.353 63.100 0.110 0.000 0.761 386 P CB 0.380 32.113 31.700 0.054 0.000 0.785 387 P HA -0.085 nan 4.420 nan 0.000 0.218 387 P C -0.050 177.334 177.300 0.140 0.000 1.149 387 P CA 1.201 64.375 63.100 0.123 0.000 0.817 387 P CB 0.284 32.049 31.700 0.109 0.000 0.785 388 V N 0.508 120.535 119.914 0.188 0.000 2.350 388 V HA 0.141 4.260 4.120 -0.001 0.000 0.285 388 V C 1.280 177.481 176.094 0.179 0.000 1.014 388 V CA 0.026 62.446 62.300 0.199 0.000 0.831 388 V CB 0.946 32.915 31.823 0.242 0.000 1.000 388 V HN 0.106 nan 8.190 nan 0.000 0.433 389 T N 0.937 115.590 114.554 0.166 0.000 3.037 389 T HA 0.339 4.688 4.350 -0.001 0.000 0.251 389 T C 0.667 175.446 174.700 0.132 0.000 1.079 389 T CA 0.553 62.692 62.100 0.066 0.000 1.067 389 T CB 0.470 69.345 68.868 0.011 0.000 0.948 389 T HN 0.712 nan 8.240 nan 0.000 0.496 390 A N 1.279 124.262 122.820 0.272 0.000 2.273 390 A HA 0.759 5.079 4.320 -0.001 0.000 0.315 390 A C -0.773 176.965 177.584 0.256 0.000 1.256 390 A CA -0.730 51.499 52.037 0.319 0.000 0.851 390 A CB 0.990 20.367 19.000 0.628 0.000 1.172 390 A HN 0.311 nan 8.150 nan 0.000 0.508 391 Q N 0.832 120.631 119.800 -0.002 0.000 2.353 391 Q HA 0.656 4.995 4.340 -0.001 0.000 0.268 391 Q C -1.641 174.256 176.000 -0.172 0.000 1.045 391 Q CA -0.061 55.764 55.803 0.036 0.000 0.811 391 Q CB 2.084 30.835 28.738 0.022 0.000 1.305 391 Q HN 0.732 nan 8.270 nan 0.000 0.447 392 Y N -0.362 119.938 120.300 0.000 0.000 2.562 392 Y HA 0.895 5.444 4.550 -0.001 0.000 0.343 392 Y C 0.466 176.341 175.900 -0.042 0.000 1.025 392 Y CA -1.043 57.064 58.100 0.012 0.000 1.082 392 Y CB 2.784 41.301 38.460 0.094 0.000 1.264 392 Y HN 0.658 nan 8.280 nan 0.000 0.478 393 G N 1.536 110.402 108.800 0.111 0.000 2.768 393 G HA2 0.459 4.419 3.960 -0.001 0.000 0.297 393 G HA3 0.459 4.419 3.960 -0.001 0.000 0.297 393 G C -2.232 172.689 174.900 0.034 0.000 1.430 393 G CA -1.022 44.099 45.100 0.036 0.000 1.030 393 G HN 0.538 nan 8.290 nan 0.000 0.553 394 R N 1.756 122.273 120.500 0.027 0.000 2.229 394 R HA 0.626 4.965 4.340 -0.001 0.000 0.328 394 R C 0.569 176.869 176.300 -0.001 0.000 1.009 394 R CA -0.442 55.670 56.100 0.019 0.000 0.864 394 R CB 1.022 31.333 30.300 0.018 0.000 1.085 394 R HN 0.729 nan 8.270 nan 0.000 0.453 395 A N 4.279 127.096 122.820 -0.004 0.000 2.548 395 A HA 0.037 4.356 4.320 -0.001 0.000 0.247 395 A C 0.479 178.059 177.584 -0.007 0.000 1.067 395 A CA 0.261 52.292 52.037 -0.011 0.000 0.757 395 A CB 0.308 19.303 19.000 -0.009 0.000 0.996 395 A HN 0.954 nan 8.150 nan 0.000 0.504 396 K N 0.918 121.312 120.400 -0.010 0.000 2.361 396 K HA 0.011 4.331 4.320 -0.001 0.000 0.196 396 K C 0.431 177.027 176.600 -0.006 0.000 1.039 396 K CA 1.240 57.522 56.287 -0.008 0.000 1.001 396 K CB 0.030 32.525 32.500 -0.010 0.000 0.795 396 K HN 0.879 nan 8.250 nan 0.000 0.495 397 K N -0.254 120.143 120.400 -0.005 0.000 2.578 397 K HA 0.231 4.551 4.320 -0.001 0.000 0.287 397 K C -1.756 174.843 176.600 -0.001 0.000 1.010 397 K CA -0.979 55.306 56.287 -0.003 0.000 0.889 397 K CB 0.839 33.337 32.500 -0.003 0.000 1.514 397 K HN -0.333 nan 8.250 nan 0.000 0.424 398 D N 1.127 121.528 120.400 0.001 0.000 2.455 398 D HA 0.253 4.892 4.640 -0.001 0.000 0.241 398 D C -0.410 175.892 176.300 0.003 0.000 1.138 398 D CA 0.317 54.319 54.000 0.005 0.000 0.877 398 D CB 0.402 41.205 40.800 0.006 0.000 1.187 398 D HN 0.359 nan 8.370 nan 0.000 0.451 399 L N 0.981 122.208 121.223 0.006 0.000 2.354 399 L HA 0.559 4.898 4.340 -0.001 0.000 0.264 399 L C -0.613 176.266 176.870 0.015 0.000 1.008 399 L CA -1.258 53.585 54.840 0.005 0.000 0.819 399 L CB 2.088 44.145 42.059 -0.003 0.000 1.339 399 L HN -0.017 nan 8.230 nan 0.000 0.420 400 V N 3.075 122.996 119.914 0.011 0.000 2.334 400 V HA 0.419 4.539 4.120 -0.001 0.000 0.281 400 V C -0.049 176.058 176.094 0.023 0.000 1.016 400 V CA -0.248 62.063 62.300 0.019 0.000 0.832 400 V CB 1.558 33.381 31.823 -0.000 0.000 0.999 400 V HN 0.463 nan 8.190 nan 0.000 0.439 401 I N 4.320 124.926 120.570 0.060 0.000 2.321 401 I HA 0.362 4.532 4.170 -0.001 0.000 0.291 401 I C 0.434 176.611 176.117 0.100 0.000 0.998 401 I CA -0.324 61.013 61.300 0.063 0.000 1.227 401 I CB 1.311 39.346 38.000 0.058 0.000 1.368 401 I HN 0.590 nan 8.210 nan 0.000 0.466 402 E N 4.493 124.716 120.200 0.038 0.000 2.259 402 E HA 0.262 4.612 4.350 -0.001 0.000 0.281 402 E C -0.443 176.175 176.600 0.031 0.000 1.027 402 E CA -0.150 56.262 56.400 0.021 0.000 0.838 402 E CB 1.817 31.507 29.700 -0.017 0.000 1.066 402 E HN 0.541 nan 8.360 nan 0.000 0.401 403 S N 1.230 116.978 115.700 0.081 0.000 2.677 403 S HA 0.168 4.638 4.470 -0.001 0.000 0.290 403 S C 1.038 175.611 174.600 -0.046 0.000 1.124 403 S CA -0.534 57.688 58.200 0.037 0.000 1.017 403 S CB 0.557 63.912 63.200 0.259 0.000 1.215 403 S HN 0.596 nan 8.310 nan 0.000 0.524 404 H N 0.601 119.721 119.070 0.083 0.000 2.389 404 H HA 0.068 4.624 4.556 -0.001 0.000 0.299 404 H C 0.513 175.861 175.328 0.034 0.000 1.081 404 H CA 1.460 57.536 56.048 0.046 0.000 1.345 404 H CB 0.147 29.933 29.762 0.040 0.000 1.393 404 H HN 0.535 nan 8.280 nan 0.000 0.520 405 D N -0.773 119.723 120.400 0.161 0.000 2.474 405 D HA 0.363 5.003 4.640 -0.001 0.000 0.213 405 D C 0.358 176.661 176.300 0.006 0.000 1.120 405 D CA 0.224 54.275 54.000 0.084 0.000 0.836 405 D CB 1.329 42.187 40.800 0.097 0.000 1.019 405 D HN 0.199 nan 8.370 nan 0.000 0.507 406 A N 0.289 123.085 122.820 -0.040 0.000 2.602 406 A HA 0.775 5.095 4.320 -0.001 0.000 0.290 406 A C -1.552 175.793 177.584 -0.397 0.000 1.114 406 A CA -0.448 51.431 52.037 -0.264 0.000 0.683 406 A CB 1.596 20.349 19.000 -0.412 0.000 1.281 406 A HN 0.023 nan 8.150 nan 0.000 0.416 407 A N -0.090 122.394 122.820 -0.560 0.000 2.380 407 A HA 0.918 5.238 4.320 -0.001 0.000 0.315 407 A C -1.397 175.784 177.584 -0.671 0.000 1.101 407 A CA -0.404 51.376 52.037 -0.428 0.000 0.771 407 A CB 0.691 19.579 19.000 -0.185 0.000 1.287 407 A HN 0.977 nan 8.150 nan 0.000 0.436 408 F N 0.598 120.536 119.950 -0.020 0.000 2.556 408 F HA 0.422 4.948 4.527 -0.001 0.000 0.314 408 F C 0.286 176.074 175.800 -0.021 0.000 1.106 408 F CA -0.505 57.483 58.000 -0.020 0.000 0.911 408 F CB 2.437 41.423 39.000 -0.024 0.000 1.190 408 F HN 0.434 nan 8.300 nan 0.000 0.448 409 K N 2.635 123.125 120.400 0.150 0.000 2.276 409 K HA 0.590 4.910 4.320 -0.001 0.000 0.285 409 K C -0.953 175.696 176.600 0.083 0.000 1.062 409 K CA -0.470 55.868 56.287 0.084 0.000 0.918 409 K CB 1.554 34.083 32.500 0.048 0.000 1.055 409 K HN 0.346 nan 8.250 nan 0.000 0.477 410 V N 3.933 123.880 119.914 0.055 0.000 2.555 410 V HA 0.258 4.378 4.120 -0.001 0.000 0.302 410 V C -0.147 175.962 176.094 0.024 0.000 1.038 410 V CA -0.958 61.364 62.300 0.036 0.000 0.887 410 V CB 1.730 33.565 31.823 0.019 0.000 0.991 410 V HN 0.667 nan 8.190 nan 0.000 0.434 411 K N 2.474 122.888 120.400 0.024 0.000 2.118 411 K HA 0.704 5.024 4.320 -0.001 0.000 0.267 411 K C 0.169 176.776 176.600 0.011 0.000 0.991 411 K CA -0.423 55.874 56.287 0.017 0.000 0.916 411 K CB 1.535 34.047 32.500 0.020 0.000 1.041 411 K HN 0.841 nan 8.250 nan 0.000 0.455 412 A N 1.089 123.913 122.820 0.006 0.000 2.567 412 A HA 0.304 4.623 4.320 -0.001 0.000 0.240 412 A C 1.212 178.798 177.584 0.002 0.000 1.053 412 A CA 1.179 53.217 52.037 0.002 0.000 0.755 412 A CB -0.824 18.177 19.000 0.001 0.000 0.978 412 A HN 0.960 nan 8.150 nan 0.000 0.507 413 G N 1.489 110.290 108.800 0.001 0.000 2.234 413 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.235 413 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.235 413 G C 0.100 175.001 174.900 0.002 0.000 0.997 413 G CA 0.296 45.396 45.100 -0.001 0.000 0.623 413 G HN 0.872 nan 8.290 nan 0.000 0.514 414 E N 0.292 120.497 120.200 0.007 0.000 2.392 414 E HA 0.411 4.760 4.350 -0.001 0.000 0.264 414 E C 0.296 176.909 176.600 0.022 0.000 1.024 414 E CA -0.246 56.163 56.400 0.015 0.000 0.903 414 E CB 0.751 30.466 29.700 0.025 0.000 0.963 414 E HN 0.274 nan 8.360 nan 0.000 0.432 415 M N 4.144 123.766 119.600 0.037 0.000 2.120 415 M HA 0.207 4.686 4.480 -0.001 0.000 0.354 415 M C -1.426 174.923 176.300 0.081 0.000 1.287 415 M CA 0.060 55.407 55.300 0.078 0.000 1.103 415 M CB 0.189 32.858 32.600 0.116 0.000 1.623 415 M HN 0.360 nan 8.290 nan 0.000 0.471 416 L N 5.717 126.969 121.223 0.048 0.000 2.357 416 L HA 0.506 4.845 4.340 -0.001 0.000 0.273 416 L C -1.104 175.741 176.870 -0.041 0.000 1.080 416 L CA -0.827 53.998 54.840 -0.026 0.000 0.803 416 L CB 1.066 43.058 42.059 -0.112 0.000 1.174 416 L HN 0.698 nan 8.230 nan 0.000 0.443 417 Y N 1.086 121.209 120.300 -0.294 0.000 2.457 417 Y HA 0.706 5.256 4.550 -0.001 0.000 0.343 417 Y C -0.397 175.230 175.900 -0.454 0.000 0.994 417 Y CA -0.778 57.017 58.100 -0.509 0.000 1.031 417 Y CB 2.210 40.366 38.460 -0.506 0.000 1.246 417 Y HN 0.504 nan 8.280 nan 0.000 0.449 418 G N 3.813 111.773 108.800 -1.400 0.000 2.590 418 G HA2 0.358 4.318 3.960 -0.001 0.000 0.310 418 G HA3 0.358 4.318 3.960 -0.001 0.000 0.310 418 G C -2.524 171.809 174.900 -0.945 0.000 1.347 418 G CA -0.714 43.783 45.100 -1.006 0.000 0.963 418 G HN 0.636 nan 8.290 nan 0.000 0.494 419 Y N 2.138 122.007 120.300 -0.718 0.000 2.594 419 Y HA 0.232 4.782 4.550 -0.001 0.000 0.342 419 Y C 1.653 177.477 175.900 -0.126 0.000 1.010 419 Y CA -0.483 57.373 58.100 -0.407 0.000 1.270 419 Y CB 1.250 39.335 38.460 -0.624 0.000 1.125 419 Y HN 0.709 nan 8.280 nan 0.000 0.513 420 Q N 5.353 124.967 119.800 -0.311 0.000 2.112 420 Q HA -0.151 4.189 4.340 -0.001 0.000 0.206 420 Q C -0.887 174.830 176.000 -0.472 0.000 0.987 420 Q CA 1.915 57.450 55.803 -0.446 0.000 0.858 420 Q CB -0.506 28.077 28.738 -0.257 0.000 0.905 420 Q HN 0.543 nan 8.270 nan 0.000 0.420 421 P HA -0.167 nan 4.420 nan 0.000 0.218 421 P C 0.761 177.958 177.300 -0.173 0.000 1.146 421 P CA 1.176 64.058 63.100 -0.363 0.000 0.813 421 P CB -0.043 31.398 31.700 -0.432 0.000 0.778 422 L N -1.944 119.224 121.223 -0.091 0.000 2.313 422 L HA 0.004 4.343 4.340 -0.001 0.000 0.214 422 L C 2.321 179.195 176.870 0.007 0.000 1.119 422 L CA 0.873 55.745 54.840 0.053 0.000 0.809 422 L CB -0.753 41.414 42.059 0.181 0.000 0.933 422 L HN -0.041 nan 8.230 nan 0.000 0.449 423 A N 0.084 122.830 122.820 -0.123 0.000 1.930 423 A HA -0.132 4.187 4.320 -0.001 0.000 0.215 423 A C 2.361 179.933 177.584 -0.020 0.000 1.176 423 A CA 1.787 53.736 52.037 -0.145 0.000 0.632 423 A CB -0.624 18.038 19.000 -0.562 0.000 0.819 423 A HN 0.438 nan 8.150 nan 0.000 0.445 424 T N -3.277 111.245 114.554 -0.053 0.000 3.067 424 T HA 0.121 4.471 4.350 -0.001 0.000 0.257 424 T C 1.283 176.027 174.700 0.073 0.000 1.105 424 T CA 0.374 62.527 62.100 0.088 0.000 1.104 424 T CB -0.128 68.744 68.868 0.005 0.000 0.925 424 T HN 0.390 nan 8.240 nan 0.000 0.498 425 R N 1.597 122.123 120.500 0.043 0.000 2.694 425 R HA 0.232 4.571 4.340 -0.001 0.000 0.334 425 R C -0.463 175.926 176.300 0.148 0.000 1.143 425 R CA -0.363 55.775 56.100 0.064 0.000 1.073 425 R CB 0.082 30.374 30.300 -0.014 0.000 1.366 425 R HN 0.286 nan 8.270 nan 0.000 0.577 426 D N 2.343 122.876 120.400 0.221 0.000 2.358 426 D HA 0.024 4.664 4.640 -0.001 0.000 0.258 426 D C -1.298 175.088 176.300 0.144 0.000 1.223 426 D CA -2.139 51.961 54.000 0.167 0.000 0.886 426 D CB 1.386 42.287 40.800 0.168 0.000 1.120 426 D HN 0.049 nan 8.370 nan 0.000 0.482 427 P HA -0.066 nan 4.420 nan 0.000 0.230 427 P C 0.555 177.826 177.300 -0.050 0.000 1.158 427 P CA 0.638 63.763 63.100 0.041 0.000 0.769 427 P CB 0.354 32.072 31.700 0.030 0.000 0.807 428 K N -0.856 119.454 120.400 -0.150 0.000 2.426 428 K HA 0.194 4.513 4.320 -0.001 0.000 0.193 428 K C 1.730 178.183 176.600 -0.245 0.000 1.028 428 K CA 0.336 56.445 56.287 -0.298 0.000 1.047 428 K CB 0.118 32.166 32.500 -0.754 0.000 0.821 428 K HN 0.221 nan 8.250 nan 0.000 0.513 429 I N -0.933 119.507 120.570 -0.216 0.000 3.565 429 I HA 0.079 4.249 4.170 -0.001 0.000 0.287 429 I C -0.139 175.657 176.117 -0.535 0.000 1.193 429 I CA 0.100 61.132 61.300 -0.447 0.000 1.402 429 I CB 0.564 38.168 38.000 -0.660 0.000 1.284 429 I HN -0.120 nan 8.210 nan 0.000 0.454 430 F N 1.432 121.336 119.950 -0.077 0.000 2.444 430 F HA 0.311 4.838 4.527 -0.001 0.000 0.342 430 F C 0.140 175.912 175.800 -0.047 0.000 1.121 430 F CA -1.100 56.867 58.000 -0.055 0.000 0.997 430 F CB 0.820 39.807 39.000 -0.022 0.000 1.130 430 F HN -0.157 nan 8.300 nan 0.000 0.454 431 D N 2.105 122.575 120.400 0.118 0.000 2.399 431 D HA 0.166 4.806 4.640 -0.001 0.000 0.241 431 D C 0.278 176.625 176.300 0.078 0.000 1.133 431 D CA 0.305 54.343 54.000 0.063 0.000 0.890 431 D CB 0.533 41.345 40.800 0.020 0.000 1.201 431 D HN 0.603 nan 8.370 nan 0.000 0.432 432 R N 1.606 122.139 120.500 0.055 0.000 3.322 432 R HA -0.236 4.104 4.340 -0.001 0.000 0.253 432 R C 0.990 177.338 176.300 0.081 0.000 0.987 432 R CA 0.419 56.550 56.100 0.052 0.000 0.666 432 R CB -1.930 28.382 30.300 0.020 0.000 1.072 432 R HN 0.450 nan 8.270 nan 0.000 0.447 433 A N 0.263 123.150 122.820 0.113 0.000 1.972 433 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 433 A C 1.458 179.137 177.584 0.159 0.000 1.169 433 A CA 1.545 53.663 52.037 0.136 0.000 0.635 433 A CB 0.025 19.127 19.000 0.171 0.000 0.810 433 A HN 0.359 nan 8.150 nan 0.000 0.446 434 D N 0.117 120.623 120.400 0.175 0.000 2.325 434 D HA 0.118 4.758 4.640 -0.001 0.000 0.225 434 D C -0.086 176.454 176.300 0.401 0.000 1.096 434 D CA 0.209 54.365 54.000 0.261 0.000 0.844 434 D CB 0.202 41.101 40.800 0.165 0.000 0.925 434 D HN 0.607 nan 8.370 nan 0.000 0.513 435 E N 0.026 120.387 120.200 0.268 0.000 2.207 435 E HA 0.245 4.594 4.350 -0.001 0.000 0.270 435 E C -0.799 175.778 176.600 -0.039 0.000 0.927 435 E CA -0.890 55.584 56.400 0.124 0.000 0.799 435 E CB 2.017 31.743 29.700 0.043 0.000 1.172 435 E HN -0.089 nan 8.360 nan 0.000 0.404 436 F N 3.034 122.692 119.950 -0.487 0.000 2.413 436 F HA 0.220 4.747 4.527 -0.001 0.000 0.359 436 F C -0.803 174.837 175.800 -0.267 0.000 1.122 436 F CA -0.451 57.187 58.000 -0.602 0.000 1.160 436 F CB 0.492 38.992 39.000 -0.834 0.000 1.146 436 F HN 0.084 nan 8.300 nan 0.000 0.514 437 V N 9.961 129.559 119.914 -0.527 0.000 2.304 437 V HA 0.201 4.320 4.120 -0.001 0.000 0.278 437 V C -1.725 174.095 176.094 -0.457 0.000 1.018 437 V CA -1.351 60.738 62.300 -0.352 0.000 0.814 437 V CB 1.204 32.889 31.823 -0.231 0.000 1.021 437 V HN 0.627 nan 8.190 nan 0.000 0.440 438 P HA -0.189 nan 4.420 nan 0.000 0.216 438 P C 1.301 178.506 177.300 -0.158 0.000 1.150 438 P CA 1.112 64.036 63.100 -0.293 0.000 0.843 438 P CB 0.276 31.916 31.700 -0.099 0.000 0.787 439 E N -0.198 119.924 120.200 -0.130 0.000 2.445 439 E HA -0.078 4.271 4.350 -0.001 0.000 0.189 439 E C 1.769 178.312 176.600 -0.094 0.000 1.069 439 E CA 0.071 56.427 56.400 -0.074 0.000 0.871 439 E CB -0.623 29.038 29.700 -0.064 0.000 0.991 439 E HN 0.198 nan 8.360 nan 0.000 0.481 440 R N 0.296 120.682 120.500 -0.189 0.000 2.117 440 R HA -0.124 4.215 4.340 -0.001 0.000 0.243 440 R C 0.623 176.652 176.300 -0.452 0.000 1.143 440 R CA 1.602 57.472 56.100 -0.384 0.000 0.968 440 R CB -0.164 29.761 30.300 -0.625 0.000 0.863 440 R HN 0.150 nan 8.270 nan 0.000 0.444 441 F N -0.142 119.832 119.950 0.040 0.000 2.639 441 F HA 0.228 4.755 4.527 -0.001 0.000 0.300 441 F C -0.025 175.820 175.800 0.074 0.000 1.109 441 F CA -0.492 57.555 58.000 0.078 0.000 1.335 441 F CB 0.747 39.827 39.000 0.133 0.000 1.014 441 F HN -0.259 nan 8.300 nan 0.000 0.537 442 V N 0.949 120.946 119.914 0.139 0.000 2.555 442 V HA 0.613 4.732 4.120 -0.001 0.000 0.286 442 V C 0.761 176.897 176.094 0.071 0.000 1.044 442 V CA 0.004 62.363 62.300 0.098 0.000 1.026 442 V CB 0.336 32.186 31.823 0.045 0.000 0.981 442 V HN 0.565 nan 8.190 nan 0.000 0.480 443 G N 4.332 113.176 108.800 0.072 0.000 2.756 443 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.678 443 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.678 443 G C 0.500 175.435 174.900 0.058 0.000 1.349 443 G CA 0.194 45.325 45.100 0.051 0.000 0.847 443 G HN 0.976 nan 8.290 nan 0.000 0.548 444 E N -0.573 119.652 120.200 0.042 0.000 2.110 444 E HA -0.120 4.229 4.350 -0.001 0.000 0.193 444 E C 1.728 178.353 176.600 0.042 0.000 0.988 444 E CA 1.660 58.084 56.400 0.040 0.000 0.804 444 E CB -0.110 29.607 29.700 0.028 0.000 0.745 444 E HN 0.467 nan 8.360 nan 0.000 0.458 445 E N 1.042 121.261 120.200 0.032 0.000 2.047 445 E HA -0.091 4.259 4.350 -0.001 0.000 0.191 445 E C 2.293 178.917 176.600 0.041 0.000 0.987 445 E CA 1.296 57.712 56.400 0.027 0.000 0.799 445 E CB -0.693 29.014 29.700 0.010 0.000 0.752 445 E HN 0.493 nan 8.360 nan 0.000 0.449 446 G N 1.317 110.144 108.800 0.044 0.000 2.418 446 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.217 446 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.217 446 G C 1.449 176.466 174.900 0.195 0.000 1.158 446 G CA 0.607 45.742 45.100 0.058 0.000 0.771 446 G HN 0.274 nan 8.290 nan 0.000 0.545 447 E N -0.036 120.264 120.200 0.167 0.000 2.204 447 E HA -0.104 4.245 4.350 -0.001 0.000 0.195 447 E C 2.330 178.996 176.600 0.109 0.000 0.990 447 E CA 0.851 57.343 56.400 0.154 0.000 0.821 447 E CB 0.004 29.763 29.700 0.099 0.000 0.750 447 E HN 0.284 nan 8.360 nan 0.000 0.477 448 K N 1.107 121.562 120.400 0.092 0.000 2.147 448 K HA -0.100 4.219 4.320 -0.001 0.000 0.205 448 K C 1.646 178.298 176.600 0.087 0.000 1.049 448 K CA 0.837 57.160 56.287 0.060 0.000 0.936 448 K CB -0.089 32.439 32.500 0.045 0.000 0.722 448 K HN 0.090 nan 8.250 nan 0.000 0.446 449 L N 0.432 121.773 121.223 0.196 0.000 2.551 449 L HA -0.012 4.327 4.340 -0.001 0.000 0.228 449 L C 1.685 178.799 176.870 0.407 0.000 1.153 449 L CA 0.184 55.222 54.840 0.331 0.000 0.851 449 L CB -0.259 42.026 42.059 0.378 0.000 0.959 449 L HN 0.138 nan 8.230 nan 0.000 0.451 450 L N 0.262 121.601 121.223 0.193 0.000 2.265 450 L HA -0.188 4.151 4.340 -0.001 0.000 0.215 450 L C 2.783 179.596 176.870 -0.096 0.000 1.117 450 L CA 1.051 55.837 54.840 -0.091 0.000 0.782 450 L CB -0.496 41.364 42.059 -0.331 0.000 0.914 450 L HN 0.432 nan 8.230 nan 0.000 0.441 451 R N -0.919 119.496 120.500 -0.141 0.000 2.241 451 R HA -0.143 4.197 4.340 -0.001 0.000 0.224 451 R C 1.217 177.365 176.300 -0.254 0.000 1.101 451 R CA 1.183 57.136 56.100 -0.246 0.000 0.995 451 R CB -0.519 29.580 30.300 -0.335 0.000 0.870 451 R HN 0.465 nan 8.270 nan 0.000 0.463 452 H N 0.210 119.354 119.070 0.124 0.000 2.529 452 H HA 0.255 4.810 4.556 -0.001 0.000 0.277 452 H C -0.231 175.268 175.328 0.284 0.000 1.004 452 H CA -0.179 55.985 56.048 0.193 0.000 1.167 452 H CB 0.661 30.493 29.762 0.116 0.000 1.445 452 H HN -0.052 nan 8.280 nan 0.000 0.554 453 V N 2.635 122.697 119.914 0.246 0.000 2.383 453 V HA 0.101 4.220 4.120 -0.001 0.000 0.275 453 V C 0.964 177.108 176.094 0.083 0.000 1.036 453 V CA -0.029 62.373 62.300 0.170 0.000 0.889 453 V CB 1.608 33.441 31.823 0.016 0.000 0.985 453 V HN 0.274 nan 8.190 nan 0.000 0.459 454 L N 4.810 126.088 121.223 0.092 0.000 3.069 454 L HA 0.130 4.469 4.340 -0.001 0.000 0.271 454 L C 1.892 178.737 176.870 -0.042 0.000 1.201 454 L CA -0.141 54.704 54.840 0.009 0.000 1.015 454 L CB -0.015 42.106 42.059 0.103 0.000 1.371 454 L HN 0.875 nan 8.230 nan 0.000 0.574 455 W N 1.007 122.332 121.300 0.042 0.000 2.331 455 W HA -0.191 4.468 4.660 -0.001 0.000 0.291 455 W C 1.535 178.108 176.519 0.089 0.000 1.214 455 W CA 1.313 58.699 57.345 0.068 0.000 1.228 455 W CB -1.048 28.460 29.460 0.080 0.000 1.135 455 W HN 0.366 nan 8.180 nan 0.000 0.537 456 S N 0.859 115.773 115.700 -1.310 0.000 2.650 456 S HA -0.006 4.464 4.470 -0.001 0.000 0.219 456 S C 0.698 174.979 174.600 -0.531 0.000 0.960 456 S CA 0.493 57.879 58.200 -1.357 0.000 0.925 456 S CB -1.070 61.166 63.200 -1.606 0.000 0.775 456 S HN 0.386 nan 8.310 nan 0.000 0.525 457 N N 0.325 118.859 118.700 -0.276 0.000 2.758 457 N HA -0.089 4.651 4.740 -0.001 0.000 0.248 457 N C -0.114 175.026 175.510 -0.616 0.000 1.076 457 N CA 1.068 54.063 53.050 -0.093 0.000 0.696 457 N CB -1.331 37.193 38.487 0.063 0.000 0.979 457 N HN 0.980 nan 8.380 nan 0.000 0.550 458 G N -1.765 106.408 108.800 -1.044 0.000 2.466 458 G HA2 0.469 4.429 3.960 -0.001 0.000 0.291 458 G HA3 0.469 4.429 3.960 -0.001 0.000 0.291 458 G C -3.339 171.055 174.900 -0.843 0.000 1.460 458 G CA -0.761 43.456 45.100 -1.471 0.000 0.791 458 G HN 0.056 nan 8.290 nan 0.000 0.505 459 P HA 0.216 nan 4.420 nan 0.000 0.269 459 P C 0.432 177.595 177.300 -0.229 0.000 1.209 459 P CA -0.084 62.870 63.100 -0.243 0.000 0.776 459 P CB 1.255 32.872 31.700 -0.139 0.000 0.876 460 E N 1.687 121.787 120.200 -0.167 0.000 2.333 460 E HA -0.155 4.195 4.350 -0.001 0.000 0.198 460 E C 1.198 177.740 176.600 -0.098 0.000 1.007 460 E CA 1.780 58.107 56.400 -0.122 0.000 0.845 460 E CB -0.797 28.827 29.700 -0.128 0.000 0.766 460 E HN 0.495 nan 8.360 nan 0.000 0.507 461 T N -2.633 111.853 114.554 -0.113 0.000 3.088 461 T HA 0.099 4.448 4.350 -0.001 0.000 0.259 461 T C 0.640 175.301 174.700 -0.065 0.000 1.122 461 T CA 0.073 62.124 62.100 -0.080 0.000 1.095 461 T CB 0.037 68.855 68.868 -0.084 0.000 0.930 461 T HN 0.034 nan 8.240 nan 0.000 0.508 462 E N 0.832 120.978 120.200 -0.090 0.000 2.243 462 E HA 0.524 4.873 4.350 -0.001 0.000 0.260 462 E C -0.718 175.839 176.600 -0.072 0.000 0.985 462 E CA -0.732 55.619 56.400 -0.081 0.000 0.858 462 E CB 1.677 31.314 29.700 -0.104 0.000 1.210 462 E HN 0.129 nan 8.360 nan 0.000 0.411 463 T N 1.196 115.719 114.554 -0.051 0.000 2.863 463 T HA 0.391 4.740 4.350 -0.001 0.000 0.285 463 T C -2.664 172.028 174.700 -0.012 0.000 1.009 463 T CA -2.445 59.635 62.100 -0.033 0.000 0.989 463 T CB 1.315 70.161 68.868 -0.036 0.000 1.004 463 T HN 0.141 nan 8.240 nan 0.000 0.455 464 P HA 0.283 nan 4.420 nan 0.000 0.268 464 P C -0.455 176.965 177.300 0.201 0.000 1.205 464 P CA 0.032 63.214 63.100 0.136 0.000 0.771 464 P CB 0.633 32.484 31.700 0.253 0.000 0.858 465 T N -2.596 112.117 114.554 0.266 0.000 2.841 465 T HA 0.286 4.636 4.350 -0.001 0.000 0.296 465 T C 1.097 176.003 174.700 0.344 0.000 1.166 465 T CA -0.386 61.892 62.100 0.297 0.000 1.007 465 T CB 0.876 69.831 68.868 0.145 0.000 1.253 465 T HN 0.149 nan 8.240 nan 0.000 0.511 466 V N -1.092 119.013 119.914 0.319 0.000 2.867 466 V HA 0.234 4.354 4.120 -0.001 0.000 0.260 466 V C 1.930 178.197 176.094 0.287 0.000 1.099 466 V CA 1.855 64.283 62.300 0.214 0.000 1.122 466 V CB -1.392 30.521 31.823 0.150 0.000 0.708 466 V HN 1.078 nan 8.190 nan 0.000 0.490 467 G N 1.204 110.126 108.800 0.205 0.000 2.986 467 G HA2 0.157 4.117 3.960 -0.001 0.000 0.213 467 G HA3 0.157 4.117 3.960 -0.001 0.000 0.213 467 G C 0.426 175.382 174.900 0.095 0.000 1.156 467 G CA 0.375 45.554 45.100 0.131 0.000 0.763 467 G HN 0.781 nan 8.290 nan 0.000 0.547 468 N N -1.422 117.362 118.700 0.140 0.000 2.653 468 N HA 0.404 5.143 4.740 -0.001 0.000 0.294 468 N C 0.072 175.655 175.510 0.121 0.000 1.305 468 N CA -0.969 52.134 53.050 0.089 0.000 0.827 468 N CB 1.011 39.538 38.487 0.067 0.000 1.415 468 N HN -0.317 nan 8.380 nan 0.000 0.546 469 K N -0.595 119.849 120.400 0.074 0.000 2.514 469 K HA 0.149 4.469 4.320 -0.001 0.000 0.207 469 K C -0.289 176.351 176.600 0.066 0.000 1.035 469 K CA -0.162 56.179 56.287 0.090 0.000 1.113 469 K CB -0.053 32.478 32.500 0.051 0.000 0.846 469 K HN 0.673 nan 8.250 nan 0.000 0.491 470 Q N 0.618 120.437 119.800 0.031 0.000 2.392 470 Q HA 0.017 4.356 4.340 -0.001 0.000 0.262 470 Q C -0.297 175.704 176.000 0.002 0.000 1.003 470 Q CA -0.080 55.693 55.803 -0.050 0.000 0.888 470 Q CB 0.903 29.576 28.738 -0.108 0.000 1.260 470 Q HN 0.270 nan 8.270 nan 0.000 0.435 471 C N 3.845 123.112 119.300 -0.054 0.000 2.298 471 C HA 0.028 4.487 4.460 -0.001 0.000 0.395 471 C C 1.663 176.725 174.990 0.120 0.000 1.526 471 C CA 0.423 59.461 59.018 0.034 0.000 1.458 471 C CB -1.248 26.477 27.740 -0.025 0.000 2.506 471 C HN 0.924 nan 8.230 nan 0.000 0.604 472 A N 4.626 127.529 122.820 0.138 0.000 2.019 472 A HA 0.086 4.406 4.320 -0.001 0.000 0.219 472 A C 2.003 179.771 177.584 0.305 0.000 1.164 472 A CA 1.770 53.924 52.037 0.195 0.000 0.644 472 A CB -0.576 18.387 19.000 -0.061 0.000 0.805 472 A HN 1.426 nan 8.150 nan 0.000 0.449 473 G N -1.000 107.967 108.800 0.278 0.000 3.371 473 G HA2 0.154 4.113 3.960 -0.001 0.000 0.248 473 G HA3 0.154 4.113 3.960 -0.001 0.000 0.248 473 G C 1.061 176.250 174.900 0.481 0.000 1.161 473 G CA 0.510 45.823 45.100 0.355 0.000 0.796 473 G HN 0.550 nan 8.290 nan 0.000 0.539 474 K N 0.753 121.387 120.400 0.389 0.000 2.034 474 K HA -0.199 4.120 4.320 -0.001 0.000 0.214 474 K C 1.647 178.546 176.600 0.498 0.000 1.051 474 K CA 2.013 58.563 56.287 0.439 0.000 0.931 474 K CB -0.003 32.586 32.500 0.149 0.000 0.715 474 K HN 0.128 nan 8.250 nan 0.000 0.446 475 D N -0.341 120.268 120.400 0.349 0.000 2.144 475 D HA -0.143 4.496 4.640 -0.001 0.000 0.200 475 D C 1.662 178.146 176.300 0.307 0.000 0.978 475 D CA 0.808 54.979 54.000 0.285 0.000 0.833 475 D CB -0.259 40.664 40.800 0.205 0.000 0.961 475 D HN 0.247 nan 8.370 nan 0.000 0.470 476 F N 1.405 121.496 119.950 0.235 0.000 2.102 476 F HA -0.213 4.313 4.527 -0.001 0.000 0.298 476 F C 2.171 178.097 175.800 0.209 0.000 1.105 476 F CA 1.047 59.190 58.000 0.238 0.000 1.239 476 F CB -0.154 39.023 39.000 0.295 0.000 0.991 476 F HN -0.228 nan 8.300 nan 0.000 0.474 477 V N -0.350 119.813 119.914 0.415 0.000 2.295 477 V HA -0.294 3.825 4.120 -0.001 0.000 0.246 477 V C 2.360 178.425 176.094 -0.048 0.000 1.049 477 V CA 1.722 64.121 62.300 0.164 0.000 1.024 477 V CB -0.742 31.143 31.823 0.103 0.000 0.648 477 V HN 0.280 nan 8.190 nan 0.000 0.447 478 V N -0.283 119.651 119.914 0.033 0.000 2.407 478 V HA -0.224 3.895 4.120 -0.001 0.000 0.248 478 V C 2.349 178.359 176.094 -0.141 0.000 1.055 478 V CA 1.974 64.238 62.300 -0.060 0.000 1.049 478 V CB -0.552 31.319 31.823 0.080 0.000 0.662 478 V HN 0.520 nan 8.190 nan 0.000 0.455 479 L N 1.188 122.338 121.223 -0.122 0.000 1.994 479 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 479 L C 2.550 179.181 176.870 -0.399 0.000 1.071 479 L CA 2.681 57.389 54.840 -0.220 0.000 0.745 479 L CB -0.697 41.274 42.059 -0.147 0.000 0.892 479 L HN 0.313 nan 8.230 nan 0.000 0.431 480 V N -2.231 117.411 119.914 -0.454 0.000 2.515 480 V HA -0.087 4.033 4.120 -0.001 0.000 0.250 480 V C 2.527 178.424 176.094 -0.329 0.000 1.058 480 V CA 1.377 63.355 62.300 -0.537 0.000 1.064 480 V CB -1.923 29.666 31.823 -0.390 0.000 0.675 480 V HN 0.466 nan 8.190 nan 0.000 0.461 481 A N 0.892 123.626 122.820 -0.143 0.000 1.902 481 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 481 A C 2.424 179.871 177.584 -0.228 0.000 1.181 481 A CA 2.027 53.990 52.037 -0.124 0.000 0.623 481 A CB -0.566 18.380 19.000 -0.090 0.000 0.818 481 A HN 0.586 nan 8.150 nan 0.000 0.443 482 R N -0.540 119.789 120.500 -0.284 0.000 2.075 482 R HA 0.003 4.342 4.340 -0.001 0.000 0.232 482 R C 2.049 178.126 176.300 -0.371 0.000 1.126 482 R CA 1.400 57.328 56.100 -0.286 0.000 0.963 482 R CB -0.514 29.624 30.300 -0.270 0.000 0.858 482 R HN 0.500 nan 8.270 nan 0.000 0.435 483 L N -0.255 120.610 121.223 -0.597 0.000 2.079 483 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 483 L C 2.306 178.808 176.870 -0.612 0.000 1.081 483 L CA 0.992 55.326 54.840 -0.844 0.000 0.752 483 L CB -0.442 40.677 42.059 -1.566 0.000 0.896 483 L HN 0.150 nan 8.230 nan 0.000 0.433 484 F N 0.526 120.061 119.950 -0.692 0.000 2.075 484 F HA -0.187 4.339 4.527 -0.001 0.000 0.297 484 F C 2.294 177.933 175.800 -0.268 0.000 1.113 484 F CA 1.530 59.312 58.000 -0.364 0.000 1.218 484 F CB -0.492 38.015 39.000 -0.822 0.000 0.984 484 F HN -0.257 nan 8.300 nan 0.000 0.472 485 V N 0.850 120.560 119.914 -0.340 0.000 2.343 485 V HA -0.316 3.803 4.120 -0.001 0.000 0.247 485 V C 2.531 178.533 176.094 -0.154 0.000 1.051 485 V CA 2.109 64.251 62.300 -0.263 0.000 1.036 485 V CB -0.700 31.088 31.823 -0.059 0.000 0.654 485 V HN 0.363 nan 8.190 nan 0.000 0.451 486 I N -0.072 120.402 120.570 -0.161 0.000 2.179 486 I HA -0.250 3.919 4.170 -0.001 0.000 0.242 486 I C 2.641 178.667 176.117 -0.151 0.000 1.088 486 I CA 1.752 62.980 61.300 -0.121 0.000 1.357 486 I CB -0.332 37.570 38.000 -0.163 0.000 1.051 486 I HN 0.318 nan 8.210 nan 0.000 0.409 487 E N 1.341 121.448 120.200 -0.155 0.000 2.077 487 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 487 E C 2.032 178.379 176.600 -0.422 0.000 0.989 487 E CA 1.420 57.745 56.400 -0.126 0.000 0.800 487 E CB -0.214 29.598 29.700 0.187 0.000 0.746 487 E HN 0.439 nan 8.360 nan 0.000 0.452 488 I N -0.620 119.570 120.570 -0.634 0.000 2.142 488 I HA -0.247 3.923 4.170 -0.001 0.000 0.240 488 I C 1.511 177.152 176.117 -0.793 0.000 1.078 488 I CA 1.102 61.808 61.300 -0.990 0.000 1.343 488 I CB -0.236 36.999 38.000 -1.274 0.000 1.046 488 I HN 0.089 nan 8.210 nan 0.000 0.405 489 F N 0.937 120.716 119.950 -0.285 0.000 2.743 489 F HA 0.041 4.567 4.527 -0.001 0.000 0.297 489 F C 2.401 178.083 175.800 -0.196 0.000 1.131 489 F CA 0.306 58.193 58.000 -0.188 0.000 1.426 489 F CB -0.418 38.506 39.000 -0.126 0.000 1.116 489 F HN 0.051 nan 8.300 nan 0.000 0.583 490 R N 0.278 120.710 120.500 -0.112 0.000 2.236 490 R HA 0.028 4.368 4.340 -0.001 0.000 0.208 490 R C 1.665 177.819 176.300 -0.244 0.000 1.036 490 R CA 0.886 56.906 56.100 -0.133 0.000 1.001 490 R CB -0.385 29.852 30.300 -0.105 0.000 0.896 490 R HN 0.229 nan 8.270 nan 0.000 0.464 491 R N -0.420 119.802 120.500 -0.464 0.000 2.128 491 R HA 0.145 4.484 4.340 -0.001 0.000 0.211 491 R C -0.159 175.667 176.300 -0.791 0.000 1.067 491 R CA 0.599 56.246 56.100 -0.756 0.000 1.010 491 R CB 0.231 29.765 30.300 -1.275 0.000 0.922 491 R HN 0.117 nan 8.270 nan 0.000 0.457 492 Y N 0.174 120.326 120.300 -0.247 0.000 2.446 492 Y HA 0.211 4.761 4.550 -0.001 0.000 0.345 492 Y C 0.477 176.383 175.900 0.010 0.000 0.984 492 Y CA -1.453 56.542 58.100 -0.174 0.000 1.058 492 Y CB 1.327 39.604 38.460 -0.305 0.000 1.220 492 Y HN -0.177 nan 8.280 nan 0.000 0.455 493 D N 0.591 121.102 120.400 0.185 0.000 2.194 493 D HA 0.002 4.642 4.640 -0.001 0.000 0.204 493 D C 0.144 176.598 176.300 0.256 0.000 0.964 493 D CA 1.236 55.340 54.000 0.173 0.000 0.846 493 D CB 0.279 41.121 40.800 0.071 0.000 0.962 493 D HN 0.481 nan 8.370 nan 0.000 0.490 494 S N -1.135 114.702 115.700 0.229 0.000 2.615 494 S HA 0.601 5.071 4.470 -0.001 0.000 0.268 494 S C -1.175 173.531 174.600 0.177 0.000 1.146 494 S CA -1.177 57.181 58.200 0.264 0.000 0.818 494 S CB 1.293 64.481 63.200 -0.019 0.000 1.111 494 S HN 0.121 nan 8.310 nan 0.000 0.465 495 F N -1.088 118.957 119.950 0.159 0.000 2.711 495 F HA 0.897 5.423 4.527 -0.001 0.000 0.313 495 F C -1.902 174.066 175.800 0.280 0.000 1.141 495 F CA -0.842 57.169 58.000 0.018 0.000 0.941 495 F CB 0.794 39.653 39.000 -0.236 0.000 1.349 495 F HN 0.492 nan 8.300 nan 0.000 0.464 496 D N 1.653 122.314 120.400 0.435 0.000 2.457 496 D HA 0.613 5.253 4.640 -0.001 0.000 0.240 496 D C -0.859 175.684 176.300 0.405 0.000 1.041 496 D CA -0.080 54.124 54.000 0.339 0.000 0.861 496 D CB 2.665 43.606 40.800 0.235 0.000 1.394 496 D HN 0.775 nan 8.370 nan 0.000 0.473 497 I N -2.153 118.575 120.570 0.263 0.000 2.797 497 I HA 0.720 4.890 4.170 -0.001 0.000 0.307 497 I C -0.634 175.532 176.117 0.083 0.000 1.033 497 I CA -0.596 60.800 61.300 0.161 0.000 1.071 497 I CB 2.393 40.460 38.000 0.111 0.000 1.255 497 I HN 0.199 nan 8.210 nan 0.000 0.445 498 E N 3.345 123.570 120.200 0.043 0.000 2.311 498 E HA 0.473 4.822 4.350 -0.001 0.000 0.281 498 E C -1.770 174.841 176.600 0.017 0.000 0.905 498 E CA -0.824 55.597 56.400 0.035 0.000 0.778 498 E CB 2.323 32.052 29.700 0.048 0.000 1.240 498 E HN 0.644 nan 8.360 nan 0.000 0.410 499 V N 3.058 122.982 119.914 0.018 0.000 2.572 499 V HA 0.359 4.478 4.120 -0.001 0.000 0.291 499 V C 0.863 176.970 176.094 0.023 0.000 1.039 499 V CA 0.494 62.804 62.300 0.018 0.000 1.055 499 V CB 1.068 32.905 31.823 0.022 0.000 0.969 499 V HN 0.698 nan 8.190 nan 0.000 0.482 500 G N 3.251 112.065 108.800 0.023 0.000 2.389 500 G HA2 0.660 4.619 3.960 -0.001 0.000 0.328 500 G HA3 0.660 4.619 3.960 -0.001 0.000 0.328 500 G C -0.169 174.746 174.900 0.025 0.000 1.133 500 G CA -0.210 44.906 45.100 0.026 0.000 0.891 500 G HN 0.819 nan 8.290 nan 0.000 0.485 501 T N -1.757 112.812 114.554 0.024 0.000 2.912 501 T HA 0.814 5.164 4.350 -0.001 0.000 0.288 501 T C -0.028 174.685 174.700 0.022 0.000 1.030 501 T CA -0.339 61.776 62.100 0.024 0.000 1.020 501 T CB 1.847 70.729 68.868 0.023 0.000 1.056 501 T HN 1.449 nan 8.240 nan 0.000 0.480 502 S N 0.562 116.275 115.700 0.022 0.000 2.588 502 S HA 0.581 5.050 4.470 -0.001 0.000 0.269 502 S C -2.470 172.142 174.600 0.020 0.000 1.157 502 S CA -1.125 57.087 58.200 0.020 0.000 0.824 502 S CB 0.861 64.073 63.200 0.020 0.000 1.126 502 S HN 0.447 nan 8.310 nan 0.000 0.464 503 P HA -0.000 nan 4.420 nan 0.000 0.215 503 P C 1.041 178.352 177.300 0.020 0.000 1.157 503 P CA 1.194 64.304 63.100 0.016 0.000 0.874 503 P CB -0.106 31.602 31.700 0.013 0.000 0.790 504 L N -2.086 119.150 121.223 0.022 0.000 2.675 504 L HA 0.268 4.607 4.340 -0.001 0.000 0.239 504 L C 1.024 177.913 176.870 0.031 0.000 1.151 504 L CA 0.055 54.911 54.840 0.027 0.000 0.905 504 L CB -1.066 41.009 42.059 0.027 0.000 1.057 504 L HN 0.119 nan 8.230 nan 0.000 0.435 505 G N -0.474 108.344 108.800 0.030 0.000 2.440 505 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.684 505 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.684 505 G C -0.522 174.397 174.900 0.031 0.000 1.309 505 G CA -0.384 44.737 45.100 0.034 0.000 0.931 505 G HN 0.165 nan 8.290 nan 0.000 0.612 506 S N -1.093 114.628 115.700 0.034 0.000 2.646 506 S HA 0.879 5.348 4.470 -0.001 0.000 0.276 506 S C 0.183 174.801 174.600 0.031 0.000 1.222 506 S CA 0.478 58.697 58.200 0.032 0.000 1.014 506 S CB 2.016 65.236 63.200 0.034 0.000 0.991 506 S HN 2.118 nan 8.310 nan 0.000 0.533 507 S N 0.173 115.890 115.700 0.029 0.000 2.541 507 S HA 0.515 4.984 4.470 -0.001 0.000 0.271 507 S C -1.228 173.389 174.600 0.029 0.000 1.133 507 S CA -0.729 57.489 58.200 0.031 0.000 0.876 507 S CB 1.323 64.537 63.200 0.024 0.000 1.105 507 S HN 0.758 nan 8.310 nan 0.000 0.470 508 V N 5.010 124.947 119.914 0.039 0.000 2.488 508 V HA 0.375 4.494 4.120 -0.001 0.000 0.277 508 V C 0.347 176.420 176.094 -0.036 0.000 1.046 508 V CA -0.274 62.025 62.300 -0.003 0.000 0.986 508 V CB 0.614 32.428 31.823 -0.016 0.000 0.989 508 V HN 0.763 nan 8.190 nan 0.000 0.475 509 N N 3.171 121.832 118.700 -0.066 0.000 2.404 509 N HA 0.526 5.265 4.740 -0.001 0.000 0.297 509 N C -1.056 174.360 175.510 -0.155 0.000 1.163 509 N CA -0.575 52.437 53.050 -0.062 0.000 0.864 509 N CB 2.156 40.660 38.487 0.029 0.000 1.247 509 N HN 0.417 nan 8.380 nan 0.000 0.510 510 F N 0.621 120.615 119.950 0.075 0.000 2.410 510 F HA 0.099 4.626 4.527 -0.001 0.000 0.348 510 F C 1.799 177.628 175.800 0.049 0.000 1.106 510 F CA -0.317 57.709 58.000 0.044 0.000 1.163 510 F CB 1.064 40.045 39.000 -0.032 0.000 1.129 510 F HN 0.513 nan 8.300 nan 0.000 0.516 511 S N 0.041 115.890 115.700 0.250 0.000 2.511 511 S HA 0.192 4.661 4.470 -0.001 0.000 0.214 511 S C 0.327 175.008 174.600 0.135 0.000 0.997 511 S CA -0.074 58.220 58.200 0.158 0.000 0.908 511 S CB 0.339 63.611 63.200 0.119 0.000 0.803 511 S HN 0.469 nan 8.310 nan 0.000 0.504 512 S N 0.153 115.949 115.700 0.159 0.000 2.543 512 S HA 0.665 5.134 4.470 -0.001 0.000 0.271 512 S C -1.866 172.721 174.600 -0.021 0.000 1.148 512 S CA -0.784 57.459 58.200 0.072 0.000 0.914 512 S CB 1.180 64.430 63.200 0.084 0.000 1.096 512 S HN 0.375 nan 8.310 nan 0.000 0.471 513 L N 4.574 125.702 121.223 -0.159 0.000 2.471 513 L HA 0.522 4.862 4.340 -0.001 0.000 0.263 513 L C -0.251 176.498 176.870 -0.201 0.000 0.985 513 L CA -0.460 54.122 54.840 -0.431 0.000 0.868 513 L CB 1.571 43.180 42.059 -0.751 0.000 1.203 513 L HN 0.568 nan 8.230 nan 0.000 0.429 514 R N 3.183 123.625 120.500 -0.096 0.000 2.248 514 R HA 0.276 4.616 4.340 -0.001 0.000 0.337 514 R C -0.351 176.027 176.300 0.130 0.000 1.106 514 R CA -0.465 55.640 56.100 0.008 0.000 0.959 514 R CB 0.706 30.985 30.300 -0.035 0.000 1.075 514 R HN 0.385 nan 8.270 nan 0.000 0.480 515 K N 2.263 122.746 120.400 0.139 0.000 2.326 515 K HA 0.314 4.633 4.320 -0.001 0.000 0.275 515 K C 0.491 177.107 176.600 0.026 0.000 1.018 515 K CA 0.153 56.514 56.287 0.123 0.000 0.962 515 K CB 1.053 33.596 32.500 0.071 0.000 0.953 515 K HN 0.710 nan 8.250 nan 0.000 0.475 516 A N 0.000 122.800 122.820 -0.033 0.000 2.254 516 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 516 A CA 0.000 52.011 52.037 -0.044 0.000 0.836 516 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 516 A HN 0.000 nan 8.150 nan 0.000 0.486