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 1ahp_1_B DATA FIRST_RESID 1 DATA SEQUENCE SQPIFNDKQF QEALSRQWQR YGLNSAAEMT PRQWWLAVSE ALAEMLRAQP DATA SEQUENCE FAKPVANQRH VNYISMEFLI GRLTGNNLLN LGWYQDVQDS LKAYDINLTD DATA SEQUENCE LLEEEIDPAL GAGGLGRLAA CFLDSMATVG QSATGYGLNY QYGLFRQSFV DATA SEQUENCE DGKQVEAPDD WHRSNYPWFR HNEALDVQVG IGGAVTKDGR WEPEFTITGQ DATA SEQUENCE AWDLPVVGYR NGVAQPLRLW QATHAHPFDL TKFNDGDFLR AEQQGINAEK DATA SEQUENCE LTKVLYPNDN HTAGKKLRLM QQYFQCACSV ADILRRHHLA GRELHELADY DATA SEQUENCE EVIQLNDTHP TIAIPELLRV LIDEHQMSWD DAWAITSKTF AYTNHTLMPE DATA SEQUENCE ALERWDVKLV KGLLPRHMQI INEINTRFKT LVEKTWPGDE KVWAKLAVVH DATA SEQUENCE DKQVHMANLC VVGGFAVNGV AALHSDLVVK DLFPEYHQLW PNKFHNVTNG DATA SEQUENCE ITPRRWIKQC NPALAALLDK SLQKEWANDL DQLINLVKLA DDAKFRDLYR DATA SEQUENCE VIKQANKVRL AEFVKVRTGI DINPQAIFDI QIKRLHEYKR QHLNLLRILA DATA SEQUENCE LYKEIRENPQ ADRVPRVFLF GAKAAPGYYL AKNIIFAINK VADVINNDPL DATA SEQUENCE VGDKLKVVFL PDYCVSAAEK LIPAADISEQ ISTAGKEASG TGNMKLALNG DATA SEQUENCE ALTVGTLDGA NVEIAEKVGE ENIFIFGHTV KQVKAILAKG YDPVKWRKKD DATA SEQUENCE KVLDAVLKEL ESGKYSDGDK HAFDQMLHSI GKQGGDPYLV MADFAAYVEA DATA SEQUENCE QKQVDVLYRD QEAWTRAAIL NTARCGMFSS DRSIRDYQAR IWQAAR 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.584 174.600 -0.026 0.000 1.055 1 S CA 0.000 58.182 58.200 -0.030 0.000 1.107 1 S CB 0.000 63.175 63.200 -0.043 0.000 0.593 2 Q N 0.135 119.942 119.800 0.012 0.000 7.941 2 Q HA 0.016 4.364 4.340 0.013 0.000 0.369 2 Q C -2.808 173.243 176.000 0.085 0.000 0.943 2 Q CA 0.323 56.137 55.803 0.017 0.000 0.541 2 Q CB -1.010 27.715 28.738 -0.021 0.000 0.167 2 Q HN 0.549 nan 8.270 nan 0.000 0.898 3 P HA 0.460 nan 4.420 nan 0.000 0.282 3 P C -0.492 177.065 177.300 0.428 0.000 1.249 3 P CA -0.123 63.151 63.100 0.291 0.000 0.806 3 P CB 1.151 32.990 31.700 0.232 0.000 0.984 4 I N 3.021 123.836 120.570 0.407 0.000 2.465 4 I HA 0.301 4.479 4.170 0.013 0.000 0.291 4 I C -0.295 175.768 176.117 -0.090 0.000 1.014 4 I CA -0.938 60.485 61.300 0.205 0.000 1.093 4 I CB 1.437 39.475 38.000 0.063 0.000 1.267 4 I HN 0.332 nan 8.210 nan 0.000 0.431 5 F N 7.177 126.766 119.950 -0.602 0.000 2.410 5 F HA 0.394 4.929 4.527 0.013 0.000 0.349 5 F C 0.101 175.575 175.800 -0.543 0.000 1.117 5 F CA -0.211 57.078 58.000 -1.185 0.000 1.104 5 F CB 0.622 38.634 39.000 -1.645 0.000 1.122 5 F HN 0.481 nan 8.300 nan 0.000 0.483 6 N N 5.358 123.328 118.700 -1.216 0.000 2.540 6 N HA 0.065 4.813 4.740 0.013 0.000 0.275 6 N C 0.253 175.216 175.510 -0.912 0.000 1.053 6 N CA -0.236 52.345 53.050 -0.781 0.000 0.876 6 N CB 1.142 39.388 38.487 -0.402 0.000 1.284 6 N HN 0.902 nan 8.380 nan 0.000 0.518 7 D N 3.394 123.350 120.400 -0.740 0.000 2.170 7 D HA -0.282 4.366 4.640 0.013 0.000 0.193 7 D C 1.803 178.053 176.300 -0.083 0.000 1.004 7 D CA 1.892 55.720 54.000 -0.285 0.000 0.860 7 D CB 0.375 41.181 40.800 0.009 0.000 0.931 7 D HN 0.651 nan 8.370 nan 0.000 0.448 8 K N 0.150 120.474 120.400 -0.126 0.000 1.991 8 K HA -0.270 4.058 4.320 0.013 0.000 0.212 8 K C 2.310 178.855 176.600 -0.091 0.000 1.049 8 K CA 1.703 57.945 56.287 -0.074 0.000 0.932 8 K CB -0.357 32.093 32.500 -0.083 0.000 0.717 8 K HN 0.214 nan 8.250 nan 0.000 0.441 9 Q N -0.527 119.183 119.800 -0.152 0.000 2.197 9 Q HA -0.223 4.125 4.340 0.013 0.000 0.207 9 Q C 1.950 177.888 176.000 -0.104 0.000 0.984 9 Q CA 1.750 57.469 55.803 -0.140 0.000 0.869 9 Q CB -0.181 28.453 28.738 -0.174 0.000 0.906 9 Q HN 0.485 nan 8.270 nan 0.000 0.426 10 F N 1.031 120.815 119.950 -0.277 0.000 2.163 10 F HA -0.136 4.399 4.527 0.013 0.000 0.297 10 F C 2.243 178.022 175.800 -0.035 0.000 1.094 10 F CA 1.220 59.127 58.000 -0.155 0.000 1.290 10 F CB -0.115 38.785 39.000 -0.167 0.000 1.017 10 F HN 0.060 nan 8.300 nan 0.000 0.483 11 Q N 0.786 120.554 119.800 -0.052 0.000 2.050 11 Q HA -0.210 4.138 4.340 0.013 0.000 0.202 11 Q C 2.101 178.012 176.000 -0.149 0.000 0.980 11 Q CA 2.096 57.870 55.803 -0.047 0.000 0.840 11 Q CB -0.590 28.209 28.738 0.101 0.000 0.898 11 Q HN 0.609 nan 8.270 nan 0.000 0.424 12 E N 0.936 121.051 120.200 -0.143 0.000 2.031 12 E HA -0.158 4.200 4.350 0.013 0.000 0.193 12 E C 2.057 178.500 176.600 -0.262 0.000 0.994 12 E CA 1.006 57.299 56.400 -0.178 0.000 0.800 12 E CB -0.225 29.390 29.700 -0.142 0.000 0.752 12 E HN 0.334 nan 8.360 nan 0.000 0.447 13 A N 1.549 124.216 122.820 -0.255 0.000 1.892 13 A HA -0.232 4.096 4.320 0.013 0.000 0.218 13 A C 2.229 179.574 177.584 -0.400 0.000 1.188 13 A CA 1.523 53.391 52.037 -0.282 0.000 0.631 13 A CB -0.764 18.117 19.000 -0.198 0.000 0.822 13 A HN 0.228 nan 8.150 nan 0.000 0.447 14 L N 0.856 121.767 121.223 -0.521 0.000 2.012 14 L HA -0.170 4.178 4.340 0.013 0.000 0.210 14 L C 2.845 179.418 176.870 -0.494 0.000 1.073 14 L CA 2.921 57.439 54.840 -0.538 0.000 0.748 14 L CB -0.731 40.923 42.059 -0.676 0.000 0.891 14 L HN 0.560 nan 8.230 nan 0.000 0.431 15 S N -1.206 114.196 115.700 -0.496 0.000 2.402 15 S HA -0.244 4.234 4.470 0.013 0.000 0.229 15 S C 2.208 176.114 174.600 -1.155 0.000 1.021 15 S CA 0.978 58.585 58.200 -0.988 0.000 0.974 15 S CB -0.673 62.173 63.200 -0.591 0.000 0.800 15 S HN 0.493 nan 8.310 nan 0.000 0.484 16 R N 0.801 120.885 120.500 -0.693 0.000 2.127 16 R HA -0.091 4.257 4.340 0.013 0.000 0.238 16 R C 2.418 178.346 176.300 -0.621 0.000 1.134 16 R CA 1.631 57.391 56.100 -0.568 0.000 0.975 16 R CB -0.137 29.931 30.300 -0.387 0.000 0.865 16 R HN 0.461 nan 8.270 nan 0.000 0.447 17 Q N -0.226 119.159 119.800 -0.692 0.000 1.994 17 Q HA -0.170 4.178 4.340 0.013 0.000 0.198 17 Q C 1.988 177.313 176.000 -1.124 0.000 0.976 17 Q CA 1.684 56.990 55.803 -0.829 0.000 0.828 17 Q CB -0.806 27.499 28.738 -0.721 0.000 0.894 17 Q HN 0.631 nan 8.270 nan 0.000 0.432 18 W N 1.097 121.889 121.300 -0.846 0.000 2.468 18 W HA -0.054 4.614 4.660 0.014 0.000 0.262 18 W C 1.023 177.320 176.519 -0.370 0.000 1.241 18 W CA 0.528 57.487 57.345 -0.643 0.000 1.232 18 W CB -0.453 28.747 29.460 -0.434 0.000 1.124 18 W HN 0.241 nan 8.180 nan 0.000 0.597 19 Q N 0.695 120.105 119.800 -0.650 0.000 2.269 19 Q HA -0.053 4.295 4.340 0.013 0.000 0.201 19 Q C 2.432 178.283 176.000 -0.248 0.000 0.946 19 Q CA 0.865 56.398 55.803 -0.450 0.000 0.877 19 Q CB -0.123 28.208 28.738 -0.678 0.000 0.963 19 Q HN 0.267 nan 8.270 nan 0.000 0.472 20 R N -0.520 119.787 120.500 -0.321 0.000 2.119 20 R HA -0.085 4.263 4.340 0.013 0.000 0.222 20 R C 1.243 177.562 176.300 0.033 0.000 1.088 20 R CA 0.835 56.836 56.100 -0.165 0.000 0.984 20 R CB 0.252 30.429 30.300 -0.204 0.000 0.884 20 R HN 0.238 nan 8.270 nan 0.000 0.447 21 Y N -0.500 119.764 120.300 -0.061 0.000 2.516 21 Y HA 0.221 4.779 4.550 0.013 0.000 0.291 21 Y C 1.429 177.328 175.900 -0.001 0.000 1.131 21 Y CA 0.572 58.654 58.100 -0.031 0.000 1.281 21 Y CB -0.283 38.163 38.460 -0.023 0.000 1.013 21 Y HN 0.283 nan 8.280 nan 0.000 0.554 22 G N 0.535 109.427 108.800 0.152 0.000 2.303 22 G HA2 -0.213 3.755 3.960 0.013 0.000 0.260 22 G HA3 -0.213 3.755 3.960 0.013 0.000 0.260 22 G C -0.325 174.662 174.900 0.144 0.000 1.106 22 G CA 0.106 45.275 45.100 0.115 0.000 0.900 22 G HN 0.248 nan 8.290 nan 0.000 0.495 23 L N -1.649 119.719 121.223 0.241 0.000 2.299 23 L HA 0.548 4.896 4.340 0.013 0.000 0.268 23 L C 1.198 178.198 176.870 0.217 0.000 1.012 23 L CA -1.131 53.803 54.840 0.157 0.000 0.816 23 L CB 1.202 43.292 42.059 0.051 0.000 1.355 23 L HN 0.115 nan 8.230 nan 0.000 0.457 24 N N -0.889 117.792 118.700 -0.031 0.000 2.205 24 N HA 0.082 4.830 4.740 0.013 0.000 0.201 24 N C -0.790 174.433 175.510 -0.479 0.000 1.128 24 N CA -0.089 52.942 53.050 -0.032 0.000 0.867 24 N CB 0.641 39.114 38.487 -0.022 0.000 0.996 24 N HN 0.598 nan 8.380 nan 0.000 0.503 25 S N -1.944 113.073 115.700 -1.139 0.000 2.597 25 S HA 0.545 5.023 4.470 0.013 0.000 0.274 25 S C 0.313 173.916 174.600 -1.661 0.000 1.132 25 S CA -0.616 56.666 58.200 -1.530 0.000 0.835 25 S CB 0.888 63.738 63.200 -0.582 0.000 1.092 25 S HN -0.041 nan 8.310 nan 0.000 0.457 26 A N 1.410 123.296 122.820 -1.558 0.000 1.930 26 A HA 0.365 4.693 4.320 0.013 0.000 0.217 26 A C 2.289 179.564 177.584 -0.514 0.000 1.175 26 A CA 1.825 53.182 52.037 -1.134 0.000 0.627 26 A CB -1.508 17.062 19.000 -0.718 0.000 0.815 26 A HN 1.863 nan 8.150 nan 0.000 0.443 27 A N -0.187 122.552 122.820 -0.135 0.000 2.139 27 A HA -0.199 4.129 4.320 0.013 0.000 0.221 27 A C 1.808 179.419 177.584 0.046 0.000 1.159 27 A CA 1.701 53.815 52.037 0.129 0.000 0.662 27 A CB -0.474 18.574 19.000 0.080 0.000 0.796 27 A HN 0.691 nan 8.150 nan 0.000 0.463 28 E N -0.659 119.454 120.200 -0.145 0.000 2.158 28 E HA 0.024 4.382 4.350 0.013 0.000 0.191 28 E C 0.379 176.947 176.600 -0.053 0.000 0.982 28 E CA -0.098 56.244 56.400 -0.096 0.000 0.823 28 E CB -0.159 29.448 29.700 -0.155 0.000 0.766 28 E HN 0.660 nan 8.360 nan 0.000 0.468 29 M N 1.891 121.390 119.600 -0.169 0.000 2.234 29 M HA -0.043 4.445 4.480 0.013 0.000 0.326 29 M C 0.672 177.029 176.300 0.096 0.000 1.077 29 M CA 0.461 55.661 55.300 -0.167 0.000 1.052 29 M CB 0.045 32.263 32.600 -0.638 0.000 1.607 29 M HN 0.031 nan 8.290 nan 0.000 0.445 30 T N -0.140 114.472 114.554 0.096 0.000 2.874 30 T HA 0.268 4.626 4.350 0.013 0.000 0.281 30 T C -2.083 172.789 174.700 0.287 0.000 0.994 30 T CA -1.755 60.446 62.100 0.168 0.000 1.015 30 T CB 0.788 69.710 68.868 0.089 0.000 1.028 30 T HN 0.370 nan 8.240 nan 0.000 0.523 31 P HA -0.180 nan 4.420 nan 0.000 0.217 31 P C 1.694 179.203 177.300 0.347 0.000 1.162 31 P CA 1.303 64.584 63.100 0.302 0.000 0.901 31 P CB 0.035 31.849 31.700 0.191 0.000 0.793 32 R N -0.261 120.397 120.500 0.264 0.000 2.092 32 R HA -0.146 4.202 4.340 0.013 0.000 0.231 32 R C 2.289 178.746 176.300 0.261 0.000 1.119 32 R CA 1.455 57.742 56.100 0.311 0.000 0.970 32 R CB -0.464 29.959 30.300 0.205 0.000 0.864 32 R HN 0.234 nan 8.270 nan 0.000 0.440 33 Q N -0.934 118.943 119.800 0.129 0.000 2.124 33 Q HA -0.210 4.138 4.340 0.013 0.000 0.202 33 Q C 1.724 177.793 176.000 0.114 0.000 0.977 33 Q CA 1.776 57.589 55.803 0.015 0.000 0.850 33 Q CB -0.165 28.536 28.738 -0.061 0.000 0.901 33 Q HN 0.467 nan 8.270 nan 0.000 0.429 34 W N -0.218 121.166 121.300 0.140 0.000 2.354 34 W HA -0.229 4.439 4.660 0.014 0.000 0.315 34 W C 2.076 178.659 176.519 0.107 0.000 1.206 34 W CA 0.850 58.262 57.345 0.113 0.000 1.290 34 W CB -0.490 29.035 29.460 0.108 0.000 1.152 34 W HN 0.321 nan 8.180 nan 0.000 0.489 35 W N 0.490 121.983 121.300 0.321 0.000 2.342 35 W HA -0.199 4.469 4.660 0.013 0.000 0.297 35 W C 1.903 178.511 176.519 0.149 0.000 1.213 35 W CA 1.858 59.335 57.345 0.221 0.000 1.251 35 W CB -0.748 28.822 29.460 0.184 0.000 1.136 35 W HN -0.179 nan 8.180 nan 0.000 0.526 36 L N 0.287 121.314 121.223 -0.327 0.000 2.027 36 L HA -0.158 4.190 4.340 0.013 0.000 0.206 36 L C 2.775 179.454 176.870 -0.319 0.000 1.074 36 L CA 1.477 56.014 54.840 -0.504 0.000 0.745 36 L CB -1.404 40.551 42.059 -0.174 0.000 0.898 36 L HN 0.066 nan 8.230 nan 0.000 0.433 37 A N -0.315 122.454 122.820 -0.085 0.000 1.883 37 A HA -0.177 4.151 4.320 0.013 0.000 0.217 37 A C 2.301 179.756 177.584 -0.214 0.000 1.186 37 A CA 2.010 53.942 52.037 -0.175 0.000 0.624 37 A CB -0.891 17.980 19.000 -0.215 0.000 0.822 37 A HN 0.212 nan 8.150 nan 0.000 0.444 38 V N -0.076 119.774 119.914 -0.108 0.000 2.261 38 V HA -0.230 3.898 4.120 0.013 0.000 0.246 38 V C 2.817 178.844 176.094 -0.111 0.000 1.047 38 V CA 2.373 64.686 62.300 0.021 0.000 1.015 38 V CB -0.968 30.975 31.823 0.199 0.000 0.642 38 V HN 0.578 nan 8.190 nan 0.000 0.446 39 S N -0.627 114.849 115.700 -0.372 0.000 2.359 39 S HA -0.225 4.253 4.470 0.013 0.000 0.224 39 S C 2.034 176.114 174.600 -0.867 0.000 1.035 39 S CA 1.440 59.273 58.200 -0.611 0.000 1.018 39 S CB -0.363 62.296 63.200 -0.901 0.000 0.876 39 S HN 0.541 nan 8.310 nan 0.000 0.448 40 E N 1.266 121.069 120.200 -0.662 0.000 2.110 40 E HA -0.032 4.326 4.350 0.013 0.000 0.193 40 E C 2.283 178.653 176.600 -0.383 0.000 0.988 40 E CA 1.024 57.104 56.400 -0.534 0.000 0.804 40 E CB -0.412 29.075 29.700 -0.356 0.000 0.745 40 E HN 0.445 nan 8.360 nan 0.000 0.458 41 A N 0.892 123.538 122.820 -0.290 0.000 1.877 41 A HA -0.144 4.184 4.320 0.013 0.000 0.216 41 A C 2.417 179.989 177.584 -0.021 0.000 1.186 41 A CA 1.169 53.101 52.037 -0.174 0.000 0.620 41 A CB -0.735 18.145 19.000 -0.200 0.000 0.822 41 A HN 0.226 nan 8.150 nan 0.000 0.443 42 L N -0.753 120.488 121.223 0.031 0.000 2.046 42 L HA -0.186 4.162 4.340 0.013 0.000 0.208 42 L C 3.099 180.004 176.870 0.058 0.000 1.077 42 L CA 1.057 56.036 54.840 0.231 0.000 0.747 42 L CB -0.569 41.685 42.059 0.325 0.000 0.896 42 L HN 0.435 nan 8.230 nan 0.000 0.432 43 A N -0.363 122.177 122.820 -0.466 0.000 1.940 43 A HA -0.272 4.056 4.320 0.013 0.000 0.219 43 A C 2.255 179.798 177.584 -0.068 0.000 1.176 43 A CA 1.995 53.789 52.037 -0.404 0.000 0.631 43 A CB -0.482 18.041 19.000 -0.796 0.000 0.814 43 A HN 0.494 nan 8.150 nan 0.000 0.446 44 E N -0.641 119.503 120.200 -0.093 0.000 2.028 44 E HA -0.163 4.195 4.350 0.013 0.000 0.191 44 E C 2.098 178.731 176.600 0.056 0.000 0.988 44 E CA 1.311 57.689 56.400 -0.036 0.000 0.799 44 E CB -0.198 29.448 29.700 -0.089 0.000 0.755 44 E HN 0.662 nan 8.360 nan 0.000 0.447 45 M N 0.312 119.994 119.600 0.137 0.000 2.108 45 M HA -0.183 4.305 4.480 0.013 0.000 0.261 45 M C 2.431 178.919 176.300 0.313 0.000 1.066 45 M CA 0.975 56.417 55.300 0.238 0.000 1.107 45 M CB -0.316 32.517 32.600 0.387 0.000 1.356 45 M HN 0.219 nan 8.290 nan 0.000 0.406 46 L N 0.773 122.191 121.223 0.324 0.000 2.079 46 L HA -0.175 4.173 4.340 0.013 0.000 0.210 46 L C 2.247 179.208 176.870 0.153 0.000 1.081 46 L CA 1.931 56.907 54.840 0.228 0.000 0.752 46 L CB -0.539 41.640 42.059 0.199 0.000 0.896 46 L HN 0.172 nan 8.230 nan 0.000 0.433 47 R N -0.686 119.887 120.500 0.122 0.000 2.280 47 R HA 0.082 4.430 4.340 0.013 0.000 0.207 47 R C 1.887 178.226 176.300 0.065 0.000 1.043 47 R CA 0.720 56.867 56.100 0.078 0.000 1.006 47 R CB -0.358 29.972 30.300 0.049 0.000 0.885 47 R HN 0.479 nan 8.270 nan 0.000 0.467 48 A N 0.446 123.315 122.820 0.082 0.000 2.195 48 A HA 0.054 4.382 4.320 0.013 0.000 0.210 48 A C 0.501 178.136 177.584 0.086 0.000 1.165 48 A CA 0.051 52.125 52.037 0.063 0.000 0.806 48 A CB 0.280 19.309 19.000 0.049 0.000 0.847 48 A HN 0.051 nan 8.150 nan 0.000 0.482 49 Q N 0.634 120.507 119.800 0.123 0.000 2.368 49 Q HA 0.359 4.707 4.340 0.013 0.000 0.237 49 Q C -2.405 173.669 176.000 0.124 0.000 0.987 49 Q CA -1.669 54.215 55.803 0.135 0.000 0.896 49 Q CB -0.244 28.598 28.738 0.173 0.000 1.241 49 Q HN 0.196 nan 8.270 nan 0.000 0.485 50 P HA 0.104 nan 4.420 nan 0.000 0.274 50 P C -0.644 176.797 177.300 0.236 0.000 1.246 50 P CA -0.474 62.751 63.100 0.209 0.000 0.795 50 P CB 0.247 32.055 31.700 0.180 0.000 1.006 51 F N -0.401 119.550 119.950 0.001 0.000 2.456 51 F HA 0.566 5.101 4.527 0.014 0.000 0.358 51 F C -0.081 175.716 175.800 -0.006 0.000 1.095 51 F CA -2.336 55.661 58.000 -0.005 0.000 1.216 51 F CB -0.547 38.447 39.000 -0.010 0.000 1.125 51 F HN 0.245 nan 8.300 nan 0.000 0.549 52 A N 4.609 127.340 122.820 -0.149 0.000 2.366 52 A HA 0.430 4.759 4.320 0.013 0.000 0.322 52 A C 0.085 177.540 177.584 -0.216 0.000 1.397 52 A CA -0.942 50.948 52.037 -0.245 0.000 0.984 52 A CB -0.272 18.655 19.000 -0.122 0.000 1.149 52 A HN 0.799 nan 8.150 nan 0.000 0.540 53 K N 3.911 124.084 120.400 -0.378 0.000 2.472 53 K HA 0.272 4.600 4.320 0.013 0.000 0.280 53 K C -2.323 174.237 176.600 -0.066 0.000 1.028 53 K CA -0.726 55.470 56.287 -0.152 0.000 1.045 53 K CB -0.024 32.374 32.500 -0.170 0.000 0.902 53 K HN 0.420 nan 8.250 nan 0.000 0.478 54 P HA -0.013 nan 4.420 nan 0.000 0.280 54 P C -0.872 176.431 177.300 0.006 0.000 1.278 54 P CA -0.628 62.474 63.100 0.005 0.000 0.787 54 P CB 0.370 32.090 31.700 0.033 0.000 1.163 55 V N 0.473 120.394 119.914 0.012 0.000 2.450 55 V HA 0.222 4.350 4.120 0.013 0.000 0.281 55 V C 0.870 176.982 176.094 0.030 0.000 1.019 55 V CA -0.073 62.237 62.300 0.016 0.000 1.062 55 V CB -0.531 31.304 31.823 0.020 0.000 0.979 55 V HN 0.649 nan 8.190 nan 0.000 0.477 56 A N 4.956 127.793 122.820 0.028 0.000 2.310 56 A HA 0.450 4.778 4.320 0.013 0.000 0.260 56 A C 1.272 178.881 177.584 0.041 0.000 1.112 56 A CA 0.333 52.394 52.037 0.040 0.000 0.804 56 A CB -0.093 18.927 19.000 0.034 0.000 1.081 56 A HN 1.047 nan 8.150 nan 0.000 0.499 57 N N -1.953 116.776 118.700 0.049 0.000 2.319 57 N HA -0.185 4.564 4.740 0.013 0.000 0.215 57 N C 0.142 175.676 175.510 0.040 0.000 1.091 57 N CA 2.140 55.214 53.050 0.040 0.000 2.762 57 N CB -1.562 36.940 38.487 0.026 0.000 0.823 57 N HN 0.852 nan 8.380 nan 0.000 0.453 58 Q N 1.934 121.762 119.800 0.047 0.000 2.395 58 Q HA 0.177 4.526 4.340 0.013 0.000 0.271 58 Q C 0.727 176.767 176.000 0.068 0.000 1.026 58 Q CA 0.108 55.944 55.803 0.054 0.000 0.900 58 Q CB 0.568 29.341 28.738 0.057 0.000 1.266 58 Q HN 0.450 nan 8.270 nan 0.000 0.430 59 R N 0.831 121.368 120.500 0.062 0.000 2.528 59 R HA 0.263 4.612 4.340 0.013 0.000 0.271 59 R C -0.153 176.204 176.300 0.094 0.000 1.056 59 R CA -0.766 55.386 56.100 0.086 0.000 1.117 59 R CB 0.712 31.035 30.300 0.039 0.000 1.085 59 R HN 0.606 nan 8.270 nan 0.000 0.530 60 H N 1.726 120.816 119.070 0.032 0.000 2.848 60 H HA 0.111 4.675 4.556 0.013 0.000 0.317 60 H C -0.843 174.437 175.328 -0.080 0.000 1.046 60 H CA -0.129 55.913 56.048 -0.010 0.000 1.470 60 H CB 0.921 30.707 29.762 0.040 0.000 1.483 60 H HN 0.283 nan 8.280 nan 0.000 0.548 61 V N 6.731 126.281 119.914 -0.606 0.000 2.383 61 V HA 0.056 4.184 4.120 0.013 0.000 0.275 61 V C 0.112 175.892 176.094 -0.523 0.000 1.036 61 V CA -0.774 61.139 62.300 -0.645 0.000 0.889 61 V CB 1.099 32.315 31.823 -1.012 0.000 0.985 61 V HN 0.753 nan 8.190 nan 0.000 0.459 62 N N 4.216 122.798 118.700 -0.196 0.000 2.546 62 N HA 0.204 4.952 4.740 0.013 0.000 0.238 62 N C -0.982 174.648 175.510 0.200 0.000 0.984 62 N CA -0.365 52.747 53.050 0.103 0.000 0.935 62 N CB 1.256 39.857 38.487 0.190 0.000 1.122 62 N HN 0.682 nan 8.380 nan 0.000 0.510 63 Y N 2.909 123.280 120.300 0.119 0.000 2.600 63 Y HA 0.326 4.884 4.550 0.014 0.000 0.351 63 Y C 0.120 176.255 175.900 0.393 0.000 1.042 63 Y CA -0.453 57.770 58.100 0.205 0.000 1.333 63 Y CB 0.099 38.666 38.460 0.179 0.000 1.172 63 Y HN 0.380 nan 8.280 nan 0.000 0.517 64 I N 4.630 125.297 120.570 0.162 0.000 2.342 64 I HA 0.280 4.458 4.170 0.013 0.000 0.291 64 I C 0.166 176.336 176.117 0.088 0.000 1.010 64 I CA -0.105 61.344 61.300 0.248 0.000 1.308 64 I CB 0.973 39.082 38.000 0.180 0.000 1.400 64 I HN 0.469 nan 8.210 nan 0.000 0.488 65 S N 5.700 121.559 115.700 0.265 0.000 2.579 65 S HA 0.470 4.948 4.470 0.013 0.000 0.272 65 S C 0.073 174.813 174.600 0.233 0.000 1.141 65 S CA -0.738 57.509 58.200 0.078 0.000 0.843 65 S CB 1.939 64.932 63.200 -0.345 0.000 1.122 65 S HN 0.693 nan 8.310 nan 0.000 0.468 66 M N 1.680 121.384 119.600 0.173 0.000 2.428 66 M HA 0.241 4.729 4.480 0.013 0.000 0.239 66 M C -0.517 175.866 176.300 0.139 0.000 1.121 66 M CA 0.425 55.826 55.300 0.168 0.000 1.019 66 M CB -0.165 32.458 32.600 0.038 0.000 1.485 66 M HN 0.756 nan 8.290 nan 0.000 0.484 67 E N -0.880 119.358 120.200 0.064 0.000 2.347 67 E HA 0.272 4.630 4.350 0.013 0.000 0.285 67 E C -1.388 175.132 176.600 -0.133 0.000 0.925 67 E CA -0.614 55.833 56.400 0.078 0.000 0.779 67 E CB 0.802 30.525 29.700 0.038 0.000 1.233 67 E HN -0.012 nan 8.360 nan 0.000 0.414 68 F N 2.420 122.409 119.950 0.065 0.000 2.531 68 F HA 0.256 4.791 4.527 0.013 0.000 0.333 68 F C -0.305 175.479 175.800 -0.027 0.000 1.292 68 F CA -0.872 57.144 58.000 0.028 0.000 1.184 68 F CB 1.127 40.129 39.000 0.004 0.000 1.426 68 F HN 0.465 nan 8.300 nan 0.000 0.559 69 L N 4.529 125.791 121.223 0.065 0.000 2.583 69 L HA 0.078 4.426 4.340 0.013 0.000 0.280 69 L C 1.354 178.235 176.870 0.020 0.000 1.261 69 L CA 0.654 55.504 54.840 0.018 0.000 1.164 69 L CB -0.757 41.313 42.059 0.019 0.000 1.402 69 L HN 0.597 nan 8.230 nan 0.000 0.443 70 I N 0.383 120.940 120.570 -0.021 0.000 2.716 70 I HA 0.377 4.555 4.170 0.013 0.000 0.259 70 I C 1.253 177.317 176.117 -0.089 0.000 1.172 70 I CA 0.399 61.671 61.300 -0.047 0.000 1.478 70 I CB -0.791 37.161 38.000 -0.081 0.000 1.104 70 I HN 0.594 nan 8.210 nan 0.000 0.439 71 G N 2.011 110.743 108.800 -0.113 0.000 2.855 71 G HA2 -0.255 3.713 3.960 0.013 0.000 0.352 71 G HA3 -0.255 3.713 3.960 0.013 0.000 0.352 71 G C -0.406 174.439 174.900 -0.092 0.000 1.415 71 G CA -0.379 44.654 45.100 -0.113 0.000 0.871 71 G HN 0.587 nan 8.290 nan 0.000 0.543 72 R N -0.246 120.218 120.500 -0.060 0.000 2.486 72 R HA 0.188 4.536 4.340 0.013 0.000 0.303 72 R C 1.305 177.612 176.300 0.012 0.000 0.958 72 R CA -0.387 55.728 56.100 0.024 0.000 1.077 72 R CB 0.233 30.544 30.300 0.017 0.000 0.921 72 R HN 0.377 nan 8.270 nan 0.000 0.406 73 L N 2.944 124.214 121.223 0.078 0.000 2.102 73 L HA -0.095 4.253 4.340 0.013 0.000 0.202 73 L C 1.957 178.739 176.870 -0.146 0.000 1.076 73 L CA 1.837 56.609 54.840 -0.114 0.000 0.761 73 L CB -0.514 41.404 42.059 -0.235 0.000 0.921 73 L HN 0.725 nan 8.230 nan 0.000 0.444 74 T N -0.517 114.133 114.554 0.160 0.000 2.531 74 T HA -0.285 4.073 4.350 0.013 0.000 0.261 74 T C 1.725 176.550 174.700 0.210 0.000 1.141 74 T CA 1.855 64.176 62.100 0.369 0.000 1.176 74 T CB -1.202 68.099 68.868 0.721 0.000 0.863 74 T HN 0.519 nan 8.240 nan 0.000 0.424 75 G N 1.027 109.958 108.800 0.219 0.000 2.469 75 G HA2 -0.327 3.641 3.960 0.013 0.000 0.220 75 G HA3 -0.327 3.641 3.960 0.013 0.000 0.220 75 G C 1.483 176.449 174.900 0.110 0.000 1.136 75 G CA 1.444 46.673 45.100 0.215 0.000 0.759 75 G HN 0.616 nan 8.290 nan 0.000 0.562 76 N N 0.771 119.464 118.700 -0.010 0.000 2.188 76 N HA -0.094 4.654 4.740 0.013 0.000 0.184 76 N C 1.995 177.432 175.510 -0.122 0.000 1.018 76 N CA 1.412 54.407 53.050 -0.091 0.000 0.858 76 N CB -0.143 38.252 38.487 -0.153 0.000 0.989 76 N HN 0.186 nan 8.380 nan 0.000 0.426 77 N N 0.260 118.849 118.700 -0.185 0.000 2.216 77 N HA -0.063 4.685 4.740 0.013 0.000 0.183 77 N C 1.574 176.983 175.510 -0.168 0.000 1.017 77 N CA 0.616 53.504 53.050 -0.270 0.000 0.861 77 N CB -0.226 37.940 38.487 -0.534 0.000 0.986 77 N HN 0.344 nan 8.380 nan 0.000 0.428 78 L N 0.338 121.553 121.223 -0.014 0.000 2.093 78 L HA -0.086 4.263 4.340 0.013 0.000 0.208 78 L C 2.265 179.168 176.870 0.056 0.000 1.085 78 L CA 0.493 55.369 54.840 0.060 0.000 0.755 78 L CB -0.262 41.911 42.059 0.191 0.000 0.904 78 L HN 0.101 nan 8.230 nan 0.000 0.435 79 L N 0.219 121.476 121.223 0.057 0.000 2.005 79 L HA -0.197 4.151 4.340 0.013 0.000 0.207 79 L C 1.979 178.822 176.870 -0.044 0.000 1.072 79 L CA 1.750 56.598 54.840 0.013 0.000 0.744 79 L CB -0.427 41.618 42.059 -0.022 0.000 0.895 79 L HN 0.238 nan 8.230 nan 0.000 0.433 80 N N -0.891 117.762 118.700 -0.079 0.000 2.573 80 N HA -0.081 4.667 4.740 0.013 0.000 0.187 80 N C 1.422 176.751 175.510 -0.301 0.000 1.107 80 N CA 0.909 53.874 53.050 -0.141 0.000 0.918 80 N CB -0.084 38.350 38.487 -0.088 0.000 0.966 80 N HN 0.385 nan 8.380 nan 0.000 0.448 81 L N -2.288 118.740 121.223 -0.326 0.000 2.537 81 L HA 0.287 4.635 4.340 0.013 0.000 0.224 81 L C 1.357 178.083 176.870 -0.240 0.000 1.065 81 L CA 0.373 54.919 54.840 -0.489 0.000 0.860 81 L CB 0.123 41.532 42.059 -1.083 0.000 1.086 81 L HN 0.206 nan 8.230 nan 0.000 0.482 82 G N -1.055 107.689 108.800 -0.093 0.000 2.176 82 G HA2 -0.250 3.718 3.960 0.013 0.000 0.253 82 G HA3 -0.250 3.718 3.960 0.013 0.000 0.253 82 G C 0.288 175.328 174.900 0.232 0.000 0.979 82 G CA 0.121 45.257 45.100 0.061 0.000 0.641 82 G HN 0.268 nan 8.290 nan 0.000 0.530 83 W N -0.191 121.048 121.300 -0.102 0.000 2.937 83 W HA 0.327 4.995 4.660 0.014 0.000 0.245 83 W C 1.791 178.112 176.519 -0.330 0.000 1.306 83 W CA -0.000 57.168 57.345 -0.295 0.000 1.470 83 W CB -0.975 28.306 29.460 -0.298 0.000 1.132 83 W HN 0.414 nan 8.180 nan 0.000 0.675 84 Y N 1.860 122.147 120.300 -0.022 0.000 2.081 84 Y HA -0.354 4.204 4.550 0.013 0.000 0.280 84 Y C 2.812 178.649 175.900 -0.106 0.000 1.163 84 Y CA 2.873 60.938 58.100 -0.059 0.000 1.135 84 Y CB -0.671 37.775 38.460 -0.024 0.000 0.970 84 Y HN -0.023 nan 8.280 nan 0.000 0.498 85 Q N 0.329 120.223 119.800 0.157 0.000 2.030 85 Q HA -0.231 4.118 4.340 0.013 0.000 0.204 85 Q C 1.691 177.624 176.000 -0.112 0.000 0.986 85 Q CA 2.217 58.059 55.803 0.065 0.000 0.843 85 Q CB -0.402 28.370 28.738 0.056 0.000 0.904 85 Q HN 0.585 nan 8.270 nan 0.000 0.420 86 D N 0.030 120.287 120.400 -0.238 0.000 2.088 86 D HA -0.166 4.482 4.640 0.013 0.000 0.191 86 D C 2.132 178.080 176.300 -0.587 0.000 0.992 86 D CA 1.728 55.469 54.000 -0.432 0.000 0.831 86 D CB -0.384 39.946 40.800 -0.782 0.000 0.973 86 D HN 0.157 nan 8.370 nan 0.000 0.447 87 V N 1.315 120.691 119.914 -0.898 0.000 2.278 87 V HA -0.305 3.823 4.120 0.013 0.000 0.251 87 V C 2.706 178.573 176.094 -0.377 0.000 1.062 87 V CA 1.992 63.842 62.300 -0.749 0.000 1.038 87 V CB -0.688 30.775 31.823 -0.601 0.000 0.646 87 V HN 0.263 nan 8.190 nan 0.000 0.447 88 Q N -0.470 119.122 119.800 -0.346 0.000 2.030 88 Q HA -0.288 4.061 4.340 0.013 0.000 0.204 88 Q C 2.061 178.005 176.000 -0.093 0.000 0.986 88 Q CA 2.298 57.969 55.803 -0.219 0.000 0.843 88 Q CB -0.192 28.425 28.738 -0.202 0.000 0.904 88 Q HN 0.651 nan 8.270 nan 0.000 0.420 89 D N -0.294 120.057 120.400 -0.082 0.000 2.104 89 D HA -0.122 4.527 4.640 0.013 0.000 0.194 89 D C 2.091 178.416 176.300 0.041 0.000 0.994 89 D CA 1.449 55.441 54.000 -0.014 0.000 0.830 89 D CB -0.332 40.462 40.800 -0.009 0.000 0.959 89 D HN 0.157 nan 8.370 nan 0.000 0.452 90 S N 0.242 115.975 115.700 0.054 0.000 2.374 90 S HA -0.119 4.359 4.470 0.013 0.000 0.227 90 S C 2.143 176.957 174.600 0.355 0.000 1.037 90 S CA 0.680 59.013 58.200 0.221 0.000 1.024 90 S CB -0.245 63.107 63.200 0.253 0.000 0.861 90 S HN 0.269 nan 8.310 nan 0.000 0.456 91 L N 0.360 121.742 121.223 0.265 0.000 2.291 91 L HA 0.002 4.350 4.340 0.013 0.000 0.214 91 L C 2.276 179.242 176.870 0.159 0.000 1.120 91 L CA 0.754 55.763 54.840 0.281 0.000 0.799 91 L CB -0.294 41.842 42.059 0.129 0.000 0.925 91 L HN 0.129 nan 8.230 nan 0.000 0.446 92 K N 0.672 121.125 120.400 0.088 0.000 2.097 92 K HA -0.099 4.229 4.320 0.013 0.000 0.206 92 K C 2.152 178.784 176.600 0.052 0.000 1.049 92 K CA 1.325 57.636 56.287 0.041 0.000 0.933 92 K CB -0.468 32.046 32.500 0.024 0.000 0.717 92 K HN 0.248 nan 8.250 nan 0.000 0.442 93 A N -0.649 122.217 122.820 0.077 0.000 1.972 93 A HA -0.156 4.172 4.320 0.013 0.000 0.219 93 A C 1.371 178.933 177.584 -0.037 0.000 1.169 93 A CA 1.299 53.335 52.037 -0.003 0.000 0.635 93 A CB -0.586 18.385 19.000 -0.048 0.000 0.810 93 A HN 0.388 nan 8.150 nan 0.000 0.446 94 Y N -0.853 119.483 120.300 0.061 0.000 2.493 94 Y HA 0.192 4.750 4.550 0.014 0.000 0.275 94 Y C 0.247 176.111 175.900 -0.059 0.000 1.183 94 Y CA -0.013 58.128 58.100 0.069 0.000 1.258 94 Y CB 0.324 38.907 38.460 0.204 0.000 1.108 94 Y HN 0.318 nan 8.280 nan 0.000 0.521 95 D N 0.219 120.649 120.400 0.050 0.000 2.907 95 D HA -0.165 4.483 4.640 0.013 0.000 0.226 95 D C -0.857 175.355 176.300 -0.146 0.000 1.141 95 D CA 0.581 54.561 54.000 -0.034 0.000 0.779 95 D CB -0.931 39.858 40.800 -0.017 0.000 1.095 95 D HN 0.105 nan 8.370 nan 0.000 0.430 96 I N 0.994 121.449 120.570 -0.193 0.000 2.404 96 I HA 0.191 4.370 4.170 0.013 0.000 0.293 96 I C 0.744 176.766 176.117 -0.158 0.000 0.992 96 I CA -0.611 60.493 61.300 -0.327 0.000 1.149 96 I CB 1.569 39.193 38.000 -0.627 0.000 1.315 96 I HN -0.056 nan 8.210 nan 0.000 0.446 97 N N 6.319 124.942 118.700 -0.129 0.000 2.521 97 N HA 0.025 4.773 4.740 0.013 0.000 0.236 97 N C 0.911 176.401 175.510 -0.033 0.000 1.067 97 N CA -0.306 52.710 53.050 -0.056 0.000 0.939 97 N CB 0.778 39.246 38.487 -0.031 0.000 1.201 97 N HN 0.518 nan 8.380 nan 0.000 0.511 98 L N 4.191 125.391 121.223 -0.038 0.000 2.034 98 L HA -0.248 4.100 4.340 0.013 0.000 0.217 98 L C 1.931 178.821 176.870 0.034 0.000 1.077 98 L CA 2.067 56.884 54.840 -0.038 0.000 0.769 98 L CB -1.039 40.910 42.059 -0.182 0.000 0.890 98 L HN 0.540 nan 8.230 nan 0.000 0.435 99 T N -0.762 113.833 114.554 0.069 0.000 2.652 99 T HA -0.181 4.177 4.350 0.013 0.000 0.267 99 T C 1.493 176.241 174.700 0.080 0.000 1.039 99 T CA 1.510 63.676 62.100 0.111 0.000 1.153 99 T CB -0.446 68.486 68.868 0.107 0.000 0.863 99 T HN 0.405 nan 8.240 nan 0.000 0.428 100 D N 1.015 121.448 120.400 0.056 0.000 2.123 100 D HA -0.062 4.586 4.640 0.013 0.000 0.196 100 D C 2.053 178.394 176.300 0.069 0.000 0.992 100 D CA 0.613 54.642 54.000 0.049 0.000 0.833 100 D CB -0.559 40.257 40.800 0.027 0.000 0.954 100 D HN 0.266 nan 8.370 nan 0.000 0.455 101 L N 0.401 121.677 121.223 0.089 0.000 2.046 101 L HA -0.128 4.220 4.340 0.013 0.000 0.208 101 L C 2.220 179.225 176.870 0.224 0.000 1.077 101 L CA 0.958 55.905 54.840 0.178 0.000 0.747 101 L CB -0.141 42.035 42.059 0.195 0.000 0.896 101 L HN 0.004 nan 8.230 nan 0.000 0.432 102 L N -0.420 120.916 121.223 0.188 0.000 2.187 102 L HA -0.189 4.160 4.340 0.013 0.000 0.213 102 L C 2.633 179.492 176.870 -0.018 0.000 1.100 102 L CA 0.743 55.682 54.840 0.165 0.000 0.765 102 L CB -0.851 41.312 42.059 0.173 0.000 0.904 102 L HN 0.340 nan 8.230 nan 0.000 0.437 103 E N 0.270 120.464 120.200 -0.009 0.000 2.085 103 E HA -0.210 4.148 4.350 0.013 0.000 0.194 103 E C 1.931 178.446 176.600 -0.142 0.000 0.994 103 E CA 0.932 57.303 56.400 -0.047 0.000 0.801 103 E CB -0.286 29.419 29.700 0.009 0.000 0.743 103 E HN 0.469 nan 8.360 nan 0.000 0.453 104 E N 0.993 121.088 120.200 -0.175 0.000 2.339 104 E HA -0.176 4.182 4.350 0.013 0.000 0.201 104 E C 0.628 176.869 176.600 -0.598 0.000 1.015 104 E CA 0.434 56.685 56.400 -0.248 0.000 0.841 104 E CB -0.351 29.318 29.700 -0.052 0.000 0.754 104 E HN 0.424 nan 8.360 nan 0.000 0.508 105 E N 0.775 120.465 120.200 -0.850 0.000 2.257 105 E HA 0.149 4.507 4.350 0.013 0.000 0.278 105 E C -0.360 176.066 176.600 -0.291 0.000 1.049 105 E CA -0.228 55.647 56.400 -0.876 0.000 0.876 105 E CB 0.416 29.730 29.700 -0.642 0.000 1.035 105 E HN -0.012 nan 8.360 nan 0.000 0.419 106 I N 4.271 124.764 120.570 -0.127 0.000 2.441 106 I HA 0.062 4.240 4.170 0.013 0.000 0.287 106 I C -0.055 176.093 176.117 0.051 0.000 1.049 106 I CA -0.717 60.593 61.300 0.016 0.000 1.381 106 I CB 0.827 38.889 38.000 0.103 0.000 1.409 106 I HN 0.491 nan 8.210 nan 0.000 0.523 107 D N 8.182 128.569 120.400 -0.021 0.000 2.455 107 D HA 0.095 4.743 4.640 0.013 0.000 0.241 107 D C -2.308 173.852 176.300 -0.234 0.000 1.138 107 D CA -0.921 53.025 54.000 -0.091 0.000 0.877 107 D CB 0.050 40.779 40.800 -0.119 0.000 1.187 107 D HN 0.216 nan 8.370 nan 0.000 0.451 108 P HA 0.083 nan 4.420 nan 0.000 0.260 108 P C -0.584 176.081 177.300 -1.057 0.000 1.207 108 P CA 0.039 62.417 63.100 -1.203 0.000 0.780 108 P CB 0.408 31.443 31.700 -1.107 0.000 0.789 109 A N 5.113 127.137 122.820 -1.326 0.000 3.030 109 A HA 0.085 4.413 4.320 0.013 0.000 0.273 109 A C 0.536 177.917 177.584 -0.338 0.000 1.841 109 A CA 0.419 52.107 52.037 -0.582 0.000 1.479 109 A CB -1.095 17.772 19.000 -0.221 0.000 1.048 109 A HN 0.440 nan 8.150 nan 0.000 0.612 110 L N 0.512 121.583 121.223 -0.255 0.000 3.014 110 L HA 0.352 4.701 4.340 0.013 0.000 0.263 110 L C 0.853 177.794 176.870 0.119 0.000 1.207 110 L CA 0.735 55.606 54.840 0.051 0.000 1.017 110 L CB -0.701 41.339 42.059 -0.032 0.000 1.360 110 L HN 0.606 nan 8.230 nan 0.000 0.560 111 G N -1.717 107.092 108.800 0.016 0.000 2.645 111 G HA2 0.583 4.551 3.960 0.013 0.000 0.292 111 G HA3 0.583 4.551 3.960 0.013 0.000 0.292 111 G C -0.243 174.672 174.900 0.024 0.000 1.415 111 G CA 0.371 45.489 45.100 0.030 0.000 0.785 111 G HN -0.106 nan 8.290 nan 0.000 0.483 112 A N -1.747 121.131 122.820 0.096 0.000 1.977 112 A HA 0.808 5.136 4.320 0.013 0.000 0.197 112 A C 1.056 178.713 177.584 0.122 0.000 1.554 112 A CA 1.625 53.737 52.037 0.125 0.000 1.037 112 A CB 0.251 19.409 19.000 0.263 0.000 1.083 112 A HN 2.039 nan 8.150 nan 0.000 0.471 113 G N -2.039 106.839 108.800 0.130 0.000 2.793 113 G HA2 0.430 4.398 3.960 0.013 0.000 0.248 113 G HA3 0.430 4.398 3.960 0.013 0.000 0.248 113 G C 0.902 175.848 174.900 0.077 0.000 1.198 113 G CA 0.448 45.617 45.100 0.115 0.000 0.865 113 G HN 0.687 nan 8.290 nan 0.000 0.534 114 G N -0.095 108.743 108.800 0.063 0.000 2.469 114 G HA2 -0.158 3.810 3.960 0.013 0.000 0.219 114 G HA3 -0.158 3.810 3.960 0.013 0.000 0.219 114 G C 1.763 176.665 174.900 0.004 0.000 1.150 114 G CA 1.238 46.352 45.100 0.024 0.000 0.763 114 G HN 0.486 nan 8.290 nan 0.000 0.561 115 L N 0.533 121.763 121.223 0.011 0.000 1.989 115 L HA -0.048 4.301 4.340 0.013 0.000 0.211 115 L C 2.953 179.767 176.870 -0.094 0.000 1.071 115 L CA 1.948 56.741 54.840 -0.078 0.000 0.749 115 L CB -0.685 41.303 42.059 -0.118 0.000 0.890 115 L HN 0.316 nan 8.230 nan 0.000 0.431 116 G N -0.673 108.100 108.800 -0.045 0.000 2.421 116 G HA2 -0.337 3.631 3.960 0.013 0.000 0.216 116 G HA3 -0.337 3.631 3.960 0.013 0.000 0.216 116 G C 1.592 176.452 174.900 -0.066 0.000 1.171 116 G CA 0.806 45.857 45.100 -0.083 0.000 0.775 116 G HN 0.286 nan 8.290 nan 0.000 0.543 117 R N 0.086 120.576 120.500 -0.016 0.000 2.105 117 R HA 0.015 4.363 4.340 0.013 0.000 0.239 117 R C 2.358 178.635 176.300 -0.039 0.000 1.135 117 R CA 1.240 57.353 56.100 0.021 0.000 0.967 117 R CB -0.890 29.434 30.300 0.040 0.000 0.861 117 R HN 0.356 nan 8.270 nan 0.000 0.442 118 L N 0.017 121.160 121.223 -0.134 0.000 2.027 118 L HA 0.044 4.392 4.340 0.013 0.000 0.206 118 L C 2.135 178.746 176.870 -0.432 0.000 1.074 118 L CA 2.169 56.801 54.840 -0.347 0.000 0.745 118 L CB -0.876 40.970 42.059 -0.355 0.000 0.898 118 L HN 0.258 nan 8.230 nan 0.000 0.433 119 A N -0.531 122.151 122.820 -0.229 0.000 1.940 119 A HA -0.150 4.178 4.320 0.013 0.000 0.219 119 A C 2.422 179.974 177.584 -0.053 0.000 1.176 119 A CA 1.851 53.793 52.037 -0.157 0.000 0.631 119 A CB -1.113 17.651 19.000 -0.393 0.000 0.814 119 A HN 0.592 nan 8.150 nan 0.000 0.446 120 A N -0.778 122.042 122.820 0.001 0.000 1.845 120 A HA -0.170 4.159 4.320 0.013 0.000 0.215 120 A C 2.346 179.970 177.584 0.067 0.000 1.195 120 A CA 1.640 53.735 52.037 0.097 0.000 0.616 120 A CB -1.411 17.640 19.000 0.084 0.000 0.832 120 A HN 0.601 nan 8.150 nan 0.000 0.443 121 C N -1.322 118.010 119.300 0.053 0.000 2.393 121 C HA -0.144 4.324 4.460 0.013 0.000 0.276 121 C C 2.486 177.594 174.990 0.198 0.000 1.215 121 C CA 0.967 60.055 59.018 0.117 0.000 1.743 121 C CB -1.736 26.076 27.740 0.119 0.000 2.044 121 C HN 0.600 nan 8.230 nan 0.000 0.464 122 F N 0.394 120.322 119.950 -0.037 0.000 2.126 122 F HA -0.112 4.423 4.527 0.013 0.000 0.299 122 F C 2.173 177.884 175.800 -0.147 0.000 1.096 122 F CA 1.011 58.939 58.000 -0.120 0.000 1.255 122 F CB -1.590 37.218 39.000 -0.319 0.000 0.997 122 F HN 0.106 nan 8.300 nan 0.000 0.479 123 L N 0.450 121.704 121.223 0.052 0.000 2.013 123 L HA -0.254 4.094 4.340 0.013 0.000 0.212 123 L C 2.417 179.287 176.870 -0.001 0.000 1.073 123 L CA 2.056 56.894 54.840 -0.002 0.000 0.753 123 L CB -1.100 40.991 42.059 0.053 0.000 0.890 123 L HN 0.130 nan 8.230 nan 0.000 0.432 124 D N -1.203 119.214 120.400 0.028 0.000 2.087 124 D HA -0.179 4.469 4.640 0.013 0.000 0.192 124 D C 2.029 178.346 176.300 0.029 0.000 0.993 124 D CA 1.784 55.792 54.000 0.014 0.000 0.828 124 D CB 0.187 41.002 40.800 0.024 0.000 0.968 124 D HN 0.323 nan 8.370 nan 0.000 0.448 125 S N 0.062 115.804 115.700 0.069 0.000 2.353 125 S HA -0.184 4.294 4.470 0.013 0.000 0.222 125 S C 2.229 176.847 174.600 0.030 0.000 1.035 125 S CA 1.427 59.666 58.200 0.066 0.000 1.025 125 S CB -0.319 62.948 63.200 0.112 0.000 0.902 125 S HN 0.362 nan 8.310 nan 0.000 0.440 126 M N 1.090 120.692 119.600 0.003 0.000 2.106 126 M HA -0.209 4.279 4.480 0.013 0.000 0.259 126 M C 2.475 178.758 176.300 -0.028 0.000 1.068 126 M CA 1.688 56.968 55.300 -0.033 0.000 1.100 126 M CB -0.631 31.899 32.600 -0.115 0.000 1.351 126 M HN 0.432 nan 8.290 nan 0.000 0.404 127 A N -0.286 122.516 122.820 -0.030 0.000 1.877 127 A HA -0.145 4.183 4.320 0.013 0.000 0.216 127 A C 2.177 179.755 177.584 -0.009 0.000 1.186 127 A CA 2.214 54.234 52.037 -0.028 0.000 0.620 127 A CB -1.132 17.844 19.000 -0.040 0.000 0.822 127 A HN 0.473 nan 8.150 nan 0.000 0.443 128 T N -0.511 114.051 114.554 0.013 0.000 2.746 128 T HA -0.099 4.259 4.350 0.013 0.000 0.267 128 T C 1.681 176.398 174.700 0.029 0.000 1.039 128 T CA 1.598 63.722 62.100 0.039 0.000 1.142 128 T CB -0.323 68.586 68.868 0.069 0.000 0.866 128 T HN 0.115 nan 8.240 nan 0.000 0.444 129 V N 0.552 120.480 119.914 0.025 0.000 3.380 129 V HA 0.202 4.330 4.120 0.013 0.000 0.268 129 V C 2.036 178.140 176.094 0.017 0.000 1.168 129 V CA 1.049 63.364 62.300 0.025 0.000 1.156 129 V CB -0.879 30.966 31.823 0.036 0.000 0.785 129 V HN 0.770 nan 8.190 nan 0.000 0.487 130 G N 0.477 109.280 108.800 0.005 0.000 2.179 130 G HA2 -0.315 3.653 3.960 0.013 0.000 0.260 130 G HA3 -0.315 3.653 3.960 0.013 0.000 0.260 130 G C 0.293 175.195 174.900 0.003 0.000 0.977 130 G CA 0.355 45.455 45.100 0.001 0.000 0.641 130 G HN 0.571 nan 8.290 nan 0.000 0.533 131 Q N 2.018 121.815 119.800 -0.005 0.000 2.300 131 Q HA 0.496 4.844 4.340 0.013 0.000 0.262 131 Q C 0.900 176.858 176.000 -0.069 0.000 1.109 131 Q CA 0.508 56.294 55.803 -0.028 0.000 0.905 131 Q CB 0.065 28.783 28.738 -0.033 0.000 1.280 131 Q HN 0.754 nan 8.270 nan 0.000 0.426 132 S N 2.970 118.653 115.700 -0.029 0.000 2.711 132 S HA 0.467 4.945 4.470 0.013 0.000 0.335 132 S C -0.005 174.495 174.600 -0.165 0.000 1.175 132 S CA -0.114 58.101 58.200 0.025 0.000 1.372 132 S CB -0.110 63.189 63.200 0.164 0.000 1.337 132 S HN 0.661 nan 8.310 nan 0.000 0.572 133 A N 3.336 126.022 122.820 -0.224 0.000 2.414 133 A HA 0.961 5.289 4.320 0.013 0.000 0.278 133 A C -0.073 177.365 177.584 -0.244 0.000 1.228 133 A CA -0.956 50.820 52.037 -0.433 0.000 0.857 133 A CB 1.516 20.302 19.000 -0.355 0.000 1.389 133 A HN 0.644 nan 8.150 nan 0.000 0.452 134 T N -0.191 114.221 114.554 -0.236 0.000 3.193 134 T HA 0.566 4.924 4.350 0.013 0.000 0.332 134 T C -0.181 174.391 174.700 -0.215 0.000 1.208 134 T CA 0.010 61.993 62.100 -0.195 0.000 1.080 134 T CB 1.528 70.326 68.868 -0.117 0.000 1.180 134 T HN 1.260 nan 8.240 nan 0.000 0.469 135 G N 1.277 109.887 108.800 -0.316 0.000 2.377 135 G HA2 0.586 4.554 3.960 0.013 0.000 0.299 135 G HA3 0.586 4.554 3.960 0.013 0.000 0.299 135 G C -1.528 173.067 174.900 -0.508 0.000 1.150 135 G CA -0.282 44.684 45.100 -0.223 0.000 0.847 135 G HN 0.606 nan 8.290 nan 0.000 0.501 136 Y N 1.013 121.344 120.300 0.052 0.000 2.338 136 Y HA 0.592 5.151 4.550 0.014 0.000 0.328 136 Y C 0.750 176.785 175.900 0.225 0.000 0.965 136 Y CA -0.081 58.058 58.100 0.066 0.000 1.208 136 Y CB 2.276 40.865 38.460 0.216 0.000 1.132 136 Y HN 0.845 nan 8.280 nan 0.000 0.469 137 G N 2.200 111.100 108.800 0.166 0.000 3.058 137 G HA2 0.730 4.698 3.960 0.013 0.000 0.282 137 G HA3 0.730 4.698 3.960 0.013 0.000 0.282 137 G C -1.916 173.070 174.900 0.143 0.000 1.248 137 G CA -0.971 44.297 45.100 0.279 0.000 0.822 137 G HN 0.370 nan 8.290 nan 0.000 0.579 138 L N 0.624 121.803 121.223 -0.074 0.000 2.362 138 L HA 0.399 4.747 4.340 0.013 0.000 0.275 138 L C -0.736 175.811 176.870 -0.538 0.000 0.998 138 L CA -0.991 53.697 54.840 -0.254 0.000 0.820 138 L CB 2.193 44.032 42.059 -0.366 0.000 1.270 138 L HN 0.382 nan 8.230 nan 0.000 0.415 139 N N 2.345 120.940 118.700 -0.175 0.000 2.448 139 N HA 0.139 4.888 4.740 0.013 0.000 0.250 139 N C -1.222 174.261 175.510 -0.045 0.000 1.136 139 N CA -0.023 52.998 53.050 -0.049 0.000 0.953 139 N CB -0.005 38.484 38.487 0.004 0.000 1.251 139 N HN 0.187 nan 8.380 nan 0.000 0.502 140 Y N 0.744 121.180 120.300 0.227 0.000 2.299 140 Y HA 0.134 4.692 4.550 0.013 0.000 0.326 140 Y C 1.699 177.752 175.900 0.255 0.000 1.164 140 Y CA -0.601 57.613 58.100 0.191 0.000 1.234 140 Y CB 1.130 39.691 38.460 0.169 0.000 1.219 140 Y HN 0.508 nan 8.280 nan 0.000 0.497 141 Q N 0.274 120.165 119.800 0.152 0.000 2.402 141 Q HA 0.027 4.375 4.340 0.013 0.000 0.206 141 Q C -0.351 175.426 176.000 -0.372 0.000 0.919 141 Q CA 1.105 56.747 55.803 -0.268 0.000 0.923 141 Q CB 0.116 28.460 28.738 -0.657 0.000 1.048 141 Q HN 0.803 nan 8.270 nan 0.000 0.515 142 Y N -0.056 120.427 120.300 0.305 0.000 2.672 142 Y HA 0.382 4.940 4.550 0.013 0.000 0.252 142 Y C 1.538 177.543 175.900 0.175 0.000 1.132 142 Y CA -0.344 57.895 58.100 0.231 0.000 1.228 142 Y CB 0.763 39.307 38.460 0.139 0.000 1.310 142 Y HN 0.220 nan 8.280 nan 0.000 0.549 143 G N 1.489 110.453 108.800 0.274 0.000 2.693 143 G HA2 -0.386 3.582 3.960 0.013 0.000 0.354 143 G HA3 -0.386 3.582 3.960 0.013 0.000 0.354 143 G C 1.149 176.035 174.900 -0.023 0.000 1.207 143 G CA 1.546 46.673 45.100 0.045 0.000 0.958 143 G HN 0.299 nan 8.290 nan 0.000 0.560 144 L N -0.792 120.442 121.223 0.018 0.000 2.428 144 L HA 0.597 4.945 4.340 0.013 0.000 0.190 144 L C 0.999 178.018 176.870 0.248 0.000 1.255 144 L CA 1.374 56.266 54.840 0.087 0.000 0.848 144 L CB -0.074 41.981 42.059 -0.007 0.000 1.088 144 L HN 0.871 nan 8.230 nan 0.000 0.500 145 F N -1.713 118.269 119.950 0.054 0.000 2.746 145 F HA 0.439 4.974 4.527 0.013 0.000 0.311 145 F C -0.766 175.052 175.800 0.030 0.000 1.135 145 F CA -1.430 56.596 58.000 0.043 0.000 0.954 145 F CB 0.845 39.858 39.000 0.021 0.000 1.276 145 F HN -0.122 nan 8.300 nan 0.000 0.440 146 R N 2.759 123.381 120.500 0.203 0.000 2.210 146 R HA 0.334 4.682 4.340 0.013 0.000 0.338 146 R C -0.658 175.761 176.300 0.199 0.000 1.062 146 R CA -0.150 55.999 56.100 0.082 0.000 0.902 146 R CB 0.837 31.189 30.300 0.086 0.000 1.050 146 R HN 0.864 nan 8.270 nan 0.000 0.461 147 Q N 2.913 122.741 119.800 0.047 0.000 2.259 147 Q HA 0.420 4.769 4.340 0.013 0.000 0.249 147 Q C -1.041 174.853 176.000 -0.176 0.000 0.914 147 Q CA -0.341 55.526 55.803 0.108 0.000 0.904 147 Q CB 1.031 29.785 28.738 0.027 0.000 1.213 147 Q HN 0.891 nan 8.270 nan 0.000 0.428 148 S N 1.723 117.262 115.700 -0.269 0.000 2.607 148 S HA 0.681 5.159 4.470 0.013 0.000 0.273 148 S C -1.303 173.016 174.600 -0.468 0.000 1.148 148 S CA -0.820 57.139 58.200 -0.402 0.000 0.833 148 S CB 0.880 63.990 63.200 -0.148 0.000 1.130 148 S HN 0.406 nan 8.310 nan 0.000 0.470 149 F N 0.716 120.640 119.950 -0.044 0.000 2.460 149 F HA 0.621 5.156 4.527 0.014 0.000 0.341 149 F C -0.554 175.229 175.800 -0.029 0.000 1.130 149 F CA -1.350 56.613 58.000 -0.062 0.000 0.962 149 F CB 1.877 40.818 39.000 -0.098 0.000 1.171 149 F HN 0.426 nan 8.300 nan 0.000 0.436 150 V N 3.592 123.603 119.914 0.162 0.000 2.376 150 V HA 0.315 4.443 4.120 0.013 0.000 0.287 150 V C -0.690 175.455 176.094 0.084 0.000 1.015 150 V CA -1.026 61.327 62.300 0.088 0.000 0.834 150 V CB 1.232 33.077 31.823 0.037 0.000 1.001 150 V HN 0.750 nan 8.190 nan 0.000 0.428 151 D N 4.309 124.764 120.400 0.093 0.000 2.716 151 D HA -0.179 4.469 4.640 0.013 0.000 0.239 151 D C 1.383 177.794 176.300 0.185 0.000 1.125 151 D CA 1.511 55.578 54.000 0.111 0.000 0.681 151 D CB -1.145 39.697 40.800 0.070 0.000 1.070 151 D HN 1.339 nan 8.370 nan 0.000 0.432 152 G N -0.587 108.305 108.800 0.152 0.000 2.205 152 G HA2 -0.404 3.564 3.960 0.013 0.000 0.269 152 G HA3 -0.404 3.564 3.960 0.013 0.000 0.269 152 G C 0.379 175.389 174.900 0.183 0.000 0.977 152 G CA 1.205 46.383 45.100 0.130 0.000 0.652 152 G HN 0.523 nan 8.290 nan 0.000 0.539 153 K N 0.370 120.857 120.400 0.146 0.000 2.130 153 K HA 0.455 4.783 4.320 0.013 0.000 0.268 153 K C 0.460 177.158 176.600 0.162 0.000 0.983 153 K CA -0.611 55.714 56.287 0.063 0.000 0.893 153 K CB 1.361 33.782 32.500 -0.133 0.000 1.066 153 K HN 0.345 nan 8.250 nan 0.000 0.450 154 Q N 2.010 121.905 119.800 0.158 0.000 2.352 154 Q HA 0.205 4.553 4.340 0.013 0.000 0.260 154 Q C -1.075 174.948 176.000 0.037 0.000 0.976 154 Q CA -0.353 55.572 55.803 0.204 0.000 0.881 154 Q CB 0.803 29.643 28.738 0.170 0.000 1.235 154 Q HN 0.331 nan 8.270 nan 0.000 0.419 155 V N 2.964 122.876 119.914 -0.003 0.000 2.656 155 V HA 0.398 4.527 4.120 0.013 0.000 0.307 155 V C -1.118 174.915 176.094 -0.102 0.000 1.051 155 V CA -0.949 61.309 62.300 -0.070 0.000 0.893 155 V CB 1.920 33.720 31.823 -0.039 0.000 0.999 155 V HN 0.857 nan 8.190 nan 0.000 0.426 156 E N 2.161 122.219 120.200 -0.236 0.000 2.179 156 E HA 0.814 5.172 4.350 0.013 0.000 0.275 156 E C -0.303 176.269 176.600 -0.047 0.000 0.945 156 E CA -0.258 55.965 56.400 -0.295 0.000 0.792 156 E CB 2.084 31.308 29.700 -0.793 0.000 1.125 156 E HN 1.008 nan 8.360 nan 0.000 0.397 157 A N 3.395 126.284 122.820 0.115 0.000 2.527 157 A HA 0.740 5.068 4.320 0.013 0.000 0.293 157 A C -2.657 174.986 177.584 0.098 0.000 1.117 157 A CA -1.976 50.097 52.037 0.061 0.000 0.723 157 A CB 1.123 20.156 19.000 0.054 0.000 1.313 157 A HN 0.418 nan 8.150 nan 0.000 0.411 158 P HA 0.132 nan 4.420 nan 0.000 0.271 158 P C -0.987 176.435 177.300 0.203 0.000 1.226 158 P CA 0.219 63.312 63.100 -0.012 0.000 0.765 158 P CB 0.433 31.881 31.700 -0.420 0.000 0.835 159 D N 2.784 123.367 120.400 0.305 0.000 2.441 159 D HA -0.016 4.632 4.640 0.013 0.000 0.243 159 D C -0.348 176.176 176.300 0.372 0.000 1.257 159 D CA 0.038 54.198 54.000 0.267 0.000 1.027 159 D CB -0.699 40.216 40.800 0.192 0.000 1.084 159 D HN 0.248 nan 8.370 nan 0.000 0.514 160 D N 3.107 123.674 120.400 0.279 0.000 2.359 160 D HA -0.032 4.616 4.640 0.013 0.000 0.250 160 D C 1.023 177.304 176.300 -0.032 0.000 1.264 160 D CA -0.544 53.537 54.000 0.134 0.000 0.911 160 D CB 0.160 41.011 40.800 0.085 0.000 1.056 160 D HN 0.435 nan 8.370 nan 0.000 0.499 161 W N 3.553 124.735 121.300 -0.196 0.000 3.220 161 W HA 0.202 4.870 4.660 0.013 0.000 0.328 161 W C -0.611 175.858 176.519 -0.083 0.000 1.205 161 W CA -0.522 56.719 57.345 -0.172 0.000 1.773 161 W CB -1.263 28.155 29.460 -0.070 0.000 1.086 161 W HN 0.593 nan 8.180 nan 0.000 0.622 162 H N 0.472 119.404 119.070 -0.231 0.000 2.882 162 H HA -0.187 4.377 4.556 0.013 0.000 0.314 162 H C 1.915 176.917 175.328 -0.543 0.000 1.270 162 H CA 0.702 56.600 56.048 -0.251 0.000 1.165 162 H CB -1.385 28.400 29.762 0.039 0.000 1.436 162 H HN 0.090 nan 8.280 nan 0.000 0.431 163 R N 1.337 121.120 120.500 -1.195 0.000 2.133 163 R HA -0.212 4.136 4.340 0.013 0.000 0.247 163 R C 1.982 177.839 176.300 -0.738 0.000 1.151 163 R CA 2.289 57.459 56.100 -1.549 0.000 0.971 163 R CB -0.194 29.231 30.300 -1.460 0.000 0.866 163 R HN 0.574 nan 8.270 nan 0.000 0.447 164 S N 1.542 116.921 115.700 -0.535 0.000 2.365 164 S HA -0.172 4.306 4.470 0.013 0.000 0.225 164 S C 1.284 175.767 174.600 -0.195 0.000 1.039 164 S CA 1.439 59.396 58.200 -0.404 0.000 1.033 164 S CB -0.503 62.540 63.200 -0.262 0.000 0.887 164 S HN 0.642 nan 8.310 nan 0.000 0.447 165 N N -0.382 118.294 118.700 -0.040 0.000 2.401 165 N HA 0.060 4.808 4.740 0.013 0.000 0.264 165 N C -0.643 174.992 175.510 0.207 0.000 1.238 165 N CA -0.630 52.463 53.050 0.071 0.000 0.889 165 N CB -0.594 37.897 38.487 0.007 0.000 1.196 165 N HN 0.468 nan 8.380 nan 0.000 0.511 166 Y N 2.854 123.301 120.300 0.246 0.000 2.650 166 Y HA 0.171 4.729 4.550 0.013 0.000 0.331 166 Y C -1.233 174.883 175.900 0.360 0.000 1.165 166 Y CA -1.254 57.111 58.100 0.440 0.000 1.473 166 Y CB 0.774 39.659 38.460 0.709 0.000 1.224 166 Y HN 0.016 nan 8.280 nan 0.000 0.533 167 P HA -0.238 nan 4.420 nan 0.000 0.218 167 P C 0.325 177.322 177.300 -0.505 0.000 1.152 167 P CA 2.269 65.044 63.100 -0.543 0.000 0.857 167 P CB -0.063 31.059 31.700 -0.962 0.000 0.787 168 W N -3.227 117.893 121.300 -0.300 0.000 3.290 168 W HA 0.263 4.931 4.660 0.013 0.000 0.287 168 W C 0.455 176.980 176.519 0.009 0.000 1.288 168 W CA -0.628 56.648 57.345 -0.116 0.000 1.725 168 W CB -0.644 28.748 29.460 -0.113 0.000 1.103 168 W HN -0.214 nan 8.180 nan 0.000 0.670 169 F N 1.413 121.600 119.950 0.395 0.000 2.490 169 F HA 0.283 4.818 4.527 0.014 0.000 0.336 169 F C 0.919 176.861 175.800 0.236 0.000 1.178 169 F CA -0.093 58.148 58.000 0.401 0.000 1.301 169 F CB 0.483 39.830 39.000 0.578 0.000 1.175 169 F HN -0.300 nan 8.300 nan 0.000 0.593 170 R N 1.559 122.326 120.500 0.445 0.000 2.515 170 R HA 0.209 4.558 4.340 0.013 0.000 0.278 170 R C -1.838 174.496 176.300 0.056 0.000 1.107 170 R CA -0.586 55.614 56.100 0.168 0.000 0.945 170 R CB 1.059 31.419 30.300 0.100 0.000 1.219 170 R HN 0.883 nan 8.270 nan 0.000 0.434 171 H N 4.304 123.201 119.070 -0.288 0.000 2.860 171 H HA 0.212 4.776 4.556 0.013 0.000 0.312 171 H C -1.251 173.852 175.328 -0.374 0.000 0.995 171 H CA -0.758 54.946 56.048 -0.575 0.000 1.311 171 H CB 1.228 30.209 29.762 -1.301 0.000 1.478 171 H HN 0.453 nan 8.280 nan 0.000 0.508 172 N N 4.493 122.990 118.700 -0.339 0.000 2.402 172 N HA -0.064 4.685 4.740 0.013 0.000 0.252 172 N C 1.052 176.294 175.510 -0.447 0.000 1.118 172 N CA 0.226 53.071 53.050 -0.343 0.000 0.945 172 N CB 1.020 39.409 38.487 -0.164 0.000 1.147 172 N HN 0.864 nan 8.380 nan 0.000 0.495 173 E N 3.750 123.607 120.200 -0.571 0.000 2.086 173 E HA -0.253 4.106 4.350 0.013 0.000 0.200 173 E C 1.089 177.601 176.600 -0.147 0.000 1.012 173 E CA 1.566 57.724 56.400 -0.404 0.000 0.812 173 E CB -0.022 29.503 29.700 -0.292 0.000 0.743 173 E HN 0.698 nan 8.360 nan 0.000 0.453 174 A N 0.691 123.439 122.820 -0.119 0.000 2.259 174 A HA -0.043 4.285 4.320 0.013 0.000 0.212 174 A C 1.683 179.271 177.584 0.007 0.000 1.178 174 A CA 0.523 52.532 52.037 -0.046 0.000 0.734 174 A CB -0.262 18.709 19.000 -0.049 0.000 0.774 174 A HN 0.328 nan 8.150 nan 0.000 0.481 175 L N 0.428 121.664 121.223 0.021 0.000 2.783 175 L HA 0.144 4.492 4.340 0.013 0.000 0.236 175 L C -0.737 176.272 176.870 0.233 0.000 1.225 175 L CA -0.365 54.544 54.840 0.115 0.000 1.026 175 L CB -0.363 41.743 42.059 0.077 0.000 1.314 175 L HN 0.168 nan 8.230 nan 0.000 0.489 176 D N 0.086 120.588 120.400 0.171 0.000 2.283 176 D HA 0.410 5.059 4.640 0.013 0.000 0.248 176 D C -0.243 176.134 176.300 0.128 0.000 1.072 176 D CA 0.075 54.190 54.000 0.192 0.000 0.929 176 D CB 2.620 43.496 40.800 0.126 0.000 1.182 176 D HN -0.242 nan 8.370 nan 0.000 0.433 177 V N 1.839 121.799 119.914 0.077 0.000 2.760 177 V HA 0.239 4.367 4.120 0.013 0.000 0.309 177 V C -0.441 175.632 176.094 -0.036 0.000 1.077 177 V CA -0.872 61.408 62.300 -0.034 0.000 0.910 177 V CB 2.015 33.713 31.823 -0.209 0.000 1.008 177 V HN 0.332 nan 8.190 nan 0.000 0.424 178 Q N 2.182 121.962 119.800 -0.033 0.000 2.243 178 Q HA 0.636 4.984 4.340 0.013 0.000 0.252 178 Q C -0.840 175.144 176.000 -0.026 0.000 0.909 178 Q CA -0.095 55.692 55.803 -0.028 0.000 0.922 178 Q CB 1.863 30.579 28.738 -0.036 0.000 1.215 178 Q HN 0.611 nan 8.270 nan 0.000 0.427 179 V N 2.335 122.250 119.914 0.001 0.000 2.409 179 V HA 0.647 4.775 4.120 0.013 0.000 0.291 179 V C 0.381 176.534 176.094 0.100 0.000 1.020 179 V CA -0.959 61.372 62.300 0.052 0.000 0.848 179 V CB 1.556 33.440 31.823 0.101 0.000 0.990 179 V HN 0.829 nan 8.190 nan 0.000 0.430 180 G N 5.216 114.120 108.800 0.173 0.000 2.415 180 G HA2 0.617 4.585 3.960 0.013 0.000 0.269 180 G HA3 0.617 4.585 3.960 0.013 0.000 0.269 180 G C -0.709 174.431 174.900 0.401 0.000 1.209 180 G CA -0.241 44.902 45.100 0.072 0.000 0.835 180 G HN 0.438 nan 8.290 nan 0.000 0.534 181 I N 1.093 121.854 120.570 0.319 0.000 2.686 181 I HA 0.561 4.739 4.170 0.013 0.000 0.295 181 I C 0.984 177.320 176.117 0.365 0.000 1.114 181 I CA 0.374 61.913 61.300 0.397 0.000 1.038 181 I CB 0.897 39.130 38.000 0.388 0.000 1.238 181 I HN 1.010 nan 8.210 nan 0.000 0.420 182 G N 4.257 113.255 108.800 0.330 0.000 2.566 182 G HA2 0.133 4.101 3.960 0.013 0.000 0.280 182 G HA3 0.133 4.101 3.960 0.013 0.000 0.280 182 G C 0.485 175.631 174.900 0.411 0.000 1.225 182 G CA 0.437 45.699 45.100 0.270 0.000 0.966 182 G HN 1.975 nan 8.290 nan 0.000 0.560 183 G N -1.418 107.547 108.800 0.275 0.000 2.512 183 G HA2 0.451 4.419 3.960 0.013 0.000 0.240 183 G HA3 0.451 4.419 3.960 0.013 0.000 0.240 183 G C 0.312 175.396 174.900 0.307 0.000 1.246 183 G CA 1.674 46.937 45.100 0.272 0.000 0.919 183 G HN 3.139 nan 8.290 nan 0.000 0.577 184 A N -2.463 120.581 122.820 0.374 0.000 2.597 184 A HA 0.778 5.106 4.320 0.013 0.000 0.292 184 A C -0.644 177.165 177.584 0.376 0.000 1.057 184 A CA 0.362 52.578 52.037 0.299 0.000 0.674 184 A CB 1.152 20.250 19.000 0.162 0.000 1.278 184 A HN 2.066 nan 8.150 nan 0.000 0.416 185 V N 1.760 121.827 119.914 0.256 0.000 2.539 185 V HA 0.583 4.711 4.120 0.013 0.000 0.292 185 V C 1.269 177.447 176.094 0.140 0.000 1.045 185 V CA 0.170 62.605 62.300 0.226 0.000 0.945 185 V CB 1.246 33.152 31.823 0.138 0.000 0.993 185 V HN 1.271 nan 8.190 nan 0.000 0.464 186 T N 2.267 116.895 114.554 0.124 0.000 2.887 186 T HA 0.124 4.482 4.350 0.013 0.000 0.371 186 T C 1.020 175.760 174.700 0.067 0.000 1.126 186 T CA -0.072 62.079 62.100 0.084 0.000 1.043 186 T CB 0.294 69.204 68.868 0.071 0.000 1.362 186 T HN 0.469 nan 8.240 nan 0.000 0.525 187 K N 0.705 121.137 120.400 0.053 0.000 2.217 187 K HA 0.129 4.457 4.320 0.013 0.000 0.202 187 K C 0.403 177.030 176.600 0.044 0.000 1.051 187 K CA 0.832 57.145 56.287 0.043 0.000 0.952 187 K CB -0.263 32.258 32.500 0.035 0.000 0.736 187 K HN 0.584 nan 8.250 nan 0.000 0.453 188 D N -1.419 119.012 120.400 0.051 0.000 2.478 188 D HA 0.188 4.836 4.640 0.013 0.000 0.263 188 D C 0.776 177.116 176.300 0.066 0.000 1.153 188 D CA -0.472 53.559 54.000 0.053 0.000 1.038 188 D CB 0.370 41.200 40.800 0.050 0.000 1.120 188 D HN 0.049 nan 8.370 nan 0.000 0.564 189 G N 0.134 108.976 108.800 0.069 0.000 3.375 189 G HA2 -0.018 3.950 3.960 0.013 0.000 0.247 189 G HA3 -0.018 3.950 3.960 0.013 0.000 0.247 189 G C 0.090 175.056 174.900 0.111 0.000 1.343 189 G CA -0.201 44.949 45.100 0.084 0.000 1.368 189 G HN -0.047 nan 8.290 nan 0.000 0.549 190 R N 0.209 120.780 120.500 0.117 0.000 2.246 190 R HA 0.171 4.519 4.340 0.013 0.000 0.332 190 R C -1.071 175.356 176.300 0.212 0.000 0.974 190 R CA -1.234 54.950 56.100 0.139 0.000 0.837 190 R CB 1.013 31.366 30.300 0.089 0.000 1.145 190 R HN 0.343 nan 8.270 nan 0.000 0.467 191 W N 3.684 125.004 121.300 0.033 0.000 2.272 191 W HA 0.207 4.874 4.660 0.012 0.000 0.318 191 W C -0.608 175.939 176.519 0.047 0.000 1.255 191 W CA -0.746 56.623 57.345 0.040 0.000 1.200 191 W CB 0.877 30.362 29.460 0.042 0.000 1.170 191 W HN 0.485 nan 8.180 nan 0.000 0.549 192 E N 8.446 128.585 120.200 -0.102 0.000 2.402 192 E HA 0.189 4.547 4.350 0.013 0.000 0.244 192 E C -2.188 174.191 176.600 -0.367 0.000 0.945 192 E CA -1.938 54.289 56.400 -0.287 0.000 0.774 192 E CB 1.318 30.979 29.700 -0.064 0.000 1.296 192 E HN 0.195 nan 8.360 nan 0.000 0.414 193 P HA -0.093 nan 4.420 nan 0.000 0.272 193 P C 0.120 177.385 177.300 -0.058 0.000 1.254 193 P CA 0.232 63.132 63.100 -0.333 0.000 0.795 193 P CB 0.955 32.343 31.700 -0.521 0.000 1.022 194 E N -0.941 119.312 120.200 0.088 0.000 2.413 194 E HA 0.110 4.468 4.350 0.013 0.000 0.203 194 E C -0.127 176.603 176.600 0.217 0.000 0.957 194 E CA 0.032 56.500 56.400 0.113 0.000 0.950 194 E CB 0.168 29.929 29.700 0.102 0.000 0.957 194 E HN 0.253 nan 8.360 nan 0.000 0.497 195 F N 1.431 121.399 119.950 0.030 0.000 2.593 195 F HA 0.545 5.079 4.527 0.011 0.000 0.320 195 F C -1.211 174.629 175.800 0.067 0.000 1.060 195 F CA -1.174 56.857 58.000 0.050 0.000 0.940 195 F CB 2.562 41.591 39.000 0.049 0.000 1.268 195 F HN -0.258 nan 8.300 nan 0.000 0.475 196 T N 5.846 120.253 114.554 -0.245 0.000 3.170 196 T HA 0.483 4.841 4.350 0.013 0.000 0.315 196 T C -0.591 173.888 174.700 -0.370 0.000 0.967 196 T CA -0.453 61.516 62.100 -0.218 0.000 1.024 196 T CB 0.825 69.647 68.868 -0.077 0.000 1.018 196 T HN 0.241 nan 8.240 nan 0.000 0.449 197 I N 2.406 122.791 120.570 -0.308 0.000 2.797 197 I HA 0.490 4.668 4.170 0.013 0.000 0.310 197 I C 0.631 176.700 176.117 -0.081 0.000 0.990 197 I CA -0.575 60.574 61.300 -0.252 0.000 1.228 197 I CB 1.121 38.960 38.000 -0.270 0.000 1.406 197 I HN 0.503 nan 8.210 nan 0.000 0.534 198 T N 2.637 117.173 114.554 -0.032 0.000 2.840 198 T HA 0.548 4.906 4.350 0.013 0.000 0.287 198 T C 0.132 174.951 174.700 0.200 0.000 0.991 198 T CA -0.586 61.541 62.100 0.045 0.000 0.964 198 T CB 1.580 70.434 68.868 -0.023 0.000 0.954 198 T HN 0.861 nan 8.240 nan 0.000 0.438 199 G N 2.318 111.290 108.800 0.286 0.000 2.356 199 G HA2 0.571 4.539 3.960 0.013 0.000 0.322 199 G HA3 0.571 4.539 3.960 0.013 0.000 0.322 199 G C -0.768 174.386 174.900 0.423 0.000 1.125 199 G CA -0.580 44.785 45.100 0.441 0.000 0.885 199 G HN 0.607 nan 8.290 nan 0.000 0.467 200 Q N 0.159 120.265 119.800 0.510 0.000 2.312 200 Q HA 0.563 4.912 4.340 0.013 0.000 0.263 200 Q C -0.377 175.846 176.000 0.371 0.000 0.995 200 Q CA -0.821 55.201 55.803 0.364 0.000 0.853 200 Q CB 2.610 31.454 28.738 0.176 0.000 1.300 200 Q HN 0.627 nan 8.270 nan 0.000 0.448 201 A N 2.539 125.423 122.820 0.106 0.000 2.316 201 A HA 0.354 4.682 4.320 0.013 0.000 0.311 201 A C -1.439 176.025 177.584 -0.200 0.000 1.339 201 A CA -0.346 51.564 52.037 -0.212 0.000 0.960 201 A CB -0.137 18.669 19.000 -0.322 0.000 1.152 201 A HN 0.721 nan 8.150 nan 0.000 0.547 202 W N 3.378 124.607 121.300 -0.118 0.000 2.322 202 W HA 0.322 4.990 4.660 0.013 0.000 0.321 202 W C -0.341 176.331 176.519 0.255 0.000 0.991 202 W CA -0.409 56.966 57.345 0.050 0.000 1.448 202 W CB 1.192 30.548 29.460 -0.173 0.000 1.239 202 W HN 0.728 nan 8.180 nan 0.000 0.399 203 D N 2.306 122.920 120.400 0.357 0.000 2.185 203 D HA 0.430 5.078 4.640 0.013 0.000 0.247 203 D C -0.717 175.631 176.300 0.080 0.000 1.027 203 D CA -0.600 53.481 54.000 0.134 0.000 0.861 203 D CB 2.471 43.228 40.800 -0.072 0.000 1.202 203 D HN -0.045 nan 8.370 nan 0.000 0.453 204 L N 1.457 122.623 121.223 -0.095 0.000 2.344 204 L HA 0.444 4.792 4.340 0.013 0.000 0.272 204 L C -2.247 174.559 176.870 -0.108 0.000 1.035 204 L CA -2.467 52.286 54.840 -0.145 0.000 0.807 204 L CB 1.006 42.929 42.059 -0.226 0.000 1.237 204 L HN 0.329 nan 8.230 nan 0.000 0.442 205 P HA 0.197 nan 4.420 nan 0.000 0.286 205 P C -0.993 176.199 177.300 -0.181 0.000 1.269 205 P CA -0.323 62.711 63.100 -0.109 0.000 0.787 205 P CB 1.422 33.087 31.700 -0.059 0.000 0.920 206 V N 4.960 124.786 119.914 -0.146 0.000 2.275 206 V HA 0.109 4.237 4.120 0.013 0.000 0.272 206 V C 0.466 176.482 176.094 -0.129 0.000 1.028 206 V CA -0.703 61.512 62.300 -0.142 0.000 0.810 206 V CB 1.442 33.197 31.823 -0.114 0.000 1.043 206 V HN 0.285 nan 8.190 nan 0.000 0.453 207 V N 4.532 124.348 119.914 -0.162 0.000 2.427 207 V HA 0.433 4.561 4.120 0.013 0.000 0.268 207 V C 1.234 177.263 176.094 -0.109 0.000 1.046 207 V CA -0.162 62.045 62.300 -0.155 0.000 0.970 207 V CB 1.015 32.706 31.823 -0.220 0.000 1.001 207 V HN 0.858 nan 8.190 nan 0.000 0.476 208 G N 3.034 111.783 108.800 -0.084 0.000 2.491 208 G HA2 0.160 4.128 3.960 0.013 0.000 0.242 208 G HA3 0.160 4.128 3.960 0.013 0.000 0.242 208 G C -0.539 174.341 174.900 -0.034 0.000 1.266 208 G CA -0.279 44.797 45.100 -0.040 0.000 0.844 208 G HN 0.714 nan 8.290 nan 0.000 0.571 209 Y N 2.796 123.036 120.300 -0.100 0.000 2.697 209 Y HA 0.103 4.661 4.550 0.013 0.000 0.349 209 Y C 1.565 177.403 175.900 -0.103 0.000 1.120 209 Y CA 0.018 58.051 58.100 -0.111 0.000 1.468 209 Y CB 0.167 38.561 38.460 -0.110 0.000 1.182 209 Y HN 0.705 nan 8.280 nan 0.000 0.525 210 R N 1.627 121.761 120.500 -0.611 0.000 4.021 210 R HA -0.335 4.013 4.340 0.013 0.000 0.392 210 R C 0.945 177.099 176.300 -0.243 0.000 1.156 210 R CA 1.453 57.256 56.100 -0.494 0.000 1.328 210 R CB -2.220 27.670 30.300 -0.683 0.000 1.863 210 R HN 0.847 nan 8.270 nan 0.000 0.569 211 N N 0.594 119.198 118.700 -0.161 0.000 2.461 211 N HA 0.021 4.769 4.740 0.013 0.000 0.188 211 N C 1.144 176.597 175.510 -0.096 0.000 1.134 211 N CA 1.221 54.212 53.050 -0.098 0.000 0.878 211 N CB -0.096 38.357 38.487 -0.057 0.000 0.972 211 N HN 0.487 nan 8.380 nan 0.000 0.456 212 G N -0.526 108.205 108.800 -0.115 0.000 2.153 212 G HA2 -0.258 3.710 3.960 0.013 0.000 0.252 212 G HA3 -0.258 3.710 3.960 0.013 0.000 0.252 212 G C -0.241 174.612 174.900 -0.077 0.000 0.994 212 G CA 0.439 45.481 45.100 -0.095 0.000 0.698 212 G HN 0.325 nan 8.290 nan 0.000 0.521 213 V N 0.012 119.880 119.914 -0.078 0.000 2.863 213 V HA 0.822 4.950 4.120 0.013 0.000 0.307 213 V C 0.651 176.709 176.094 -0.059 0.000 1.061 213 V CA 0.226 62.494 62.300 -0.054 0.000 1.024 213 V CB 1.801 33.597 31.823 -0.045 0.000 1.049 213 V HN 1.499 nan 8.190 nan 0.000 0.471 214 A N 3.326 126.124 122.820 -0.037 0.000 2.466 214 A HA 0.680 5.008 4.320 0.013 0.000 0.284 214 A C -0.952 176.613 177.584 -0.033 0.000 1.049 214 A CA -0.648 51.362 52.037 -0.045 0.000 0.760 214 A CB 1.374 20.357 19.000 -0.027 0.000 1.274 214 A HN 0.599 nan 8.150 nan 0.000 0.412 215 Q N 2.507 122.274 119.800 -0.055 0.000 2.345 215 Q HA 0.574 4.923 4.340 0.013 0.000 0.268 215 Q C -2.731 173.214 176.000 -0.092 0.000 1.054 215 Q CA -1.930 53.839 55.803 -0.058 0.000 0.835 215 Q CB 2.861 31.560 28.738 -0.065 0.000 1.339 215 Q HN 0.608 nan 8.270 nan 0.000 0.447 216 P HA 0.204 nan 4.420 nan 0.000 0.290 216 P C -0.847 176.298 177.300 -0.259 0.000 1.276 216 P CA -0.661 62.342 63.100 -0.162 0.000 0.808 216 P CB 0.985 32.593 31.700 -0.154 0.000 0.966 217 L N 4.351 125.401 121.223 -0.288 0.000 2.321 217 L HA 0.439 4.787 4.340 0.013 0.000 0.272 217 L C 0.317 176.925 176.870 -0.437 0.000 1.050 217 L CA -0.855 53.730 54.840 -0.426 0.000 0.893 217 L CB 0.141 41.960 42.059 -0.401 0.000 1.272 217 L HN 0.244 nan 8.230 nan 0.000 0.435 218 R N 4.817 124.970 120.500 -0.579 0.000 2.357 218 R HA 0.331 4.679 4.340 0.013 0.000 0.330 218 R C -1.180 174.787 176.300 -0.555 0.000 1.102 218 R CA 0.083 55.817 56.100 -0.611 0.000 0.974 218 R CB -0.139 29.633 30.300 -0.881 0.000 1.002 218 R HN 0.743 nan 8.270 nan 0.000 0.463 219 L N 5.975 127.018 121.223 -0.301 0.000 2.255 219 L HA 0.317 4.665 4.340 0.013 0.000 0.289 219 L C -0.354 176.484 176.870 -0.053 0.000 1.046 219 L CA -0.716 54.040 54.840 -0.140 0.000 0.816 219 L CB 0.741 42.829 42.059 0.049 0.000 1.197 219 L HN 0.569 nan 8.230 nan 0.000 0.427 220 W N 3.479 124.815 121.300 0.060 0.000 2.266 220 W HA 0.279 4.949 4.660 0.016 0.000 0.317 220 W C 0.457 177.077 176.519 0.169 0.000 1.310 220 W CA -0.118 57.269 57.345 0.070 0.000 1.207 220 W CB 0.602 29.976 29.460 -0.145 0.000 1.199 220 W HN 0.440 nan 8.180 nan 0.000 0.544 221 Q N 2.489 122.616 119.800 0.545 0.000 2.331 221 Q HA 0.600 4.948 4.340 0.013 0.000 0.267 221 Q C -0.599 175.677 176.000 0.460 0.000 1.006 221 Q CA -0.716 55.311 55.803 0.374 0.000 0.818 221 Q CB 1.704 30.500 28.738 0.096 0.000 1.276 221 Q HN 0.594 nan 8.270 nan 0.000 0.450 222 A N 2.583 125.567 122.820 0.274 0.000 2.366 222 A HA 0.608 4.936 4.320 0.013 0.000 0.272 222 A C -0.176 177.410 177.584 0.003 0.000 1.135 222 A CA 0.136 52.149 52.037 -0.040 0.000 0.804 222 A CB 0.440 19.145 19.000 -0.492 0.000 1.064 222 A HN 0.759 nan 8.150 nan 0.000 0.499 223 T N -0.287 114.273 114.554 0.010 0.000 2.843 223 T HA 0.599 4.957 4.350 0.013 0.000 0.302 223 T C -0.922 173.795 174.700 0.029 0.000 1.232 223 T CA -0.614 61.509 62.100 0.039 0.000 1.009 223 T CB 1.302 70.210 68.868 0.066 0.000 1.254 223 T HN 0.834 nan 8.240 nan 0.000 0.504 224 H N -0.185 118.868 119.070 -0.028 0.000 2.622 224 H HA 0.742 5.305 4.556 0.012 0.000 0.363 224 H C 0.873 176.175 175.328 -0.043 0.000 1.151 224 H CA -0.032 55.990 56.048 -0.043 0.000 1.184 224 H CB 1.918 31.695 29.762 0.025 0.000 1.643 224 H HN 0.894 nan 8.280 nan 0.000 0.531 225 A N 2.808 125.144 122.820 -0.808 0.000 2.239 225 A HA 0.011 4.340 4.320 0.013 0.000 0.209 225 A C -0.230 176.853 177.584 -0.837 0.000 1.171 225 A CA 0.848 52.504 52.037 -0.636 0.000 0.768 225 A CB -0.435 18.243 19.000 -0.536 0.000 0.790 225 A HN 0.799 nan 8.150 nan 0.000 0.478 226 H N -1.739 117.347 119.070 0.027 0.000 2.733 226 H HA 0.173 4.737 4.556 0.013 0.000 0.230 226 H C -2.293 173.311 175.328 0.460 0.000 1.402 226 H CA -0.738 55.483 56.048 0.289 0.000 1.464 226 H CB 0.899 30.822 29.762 0.268 0.000 1.877 226 H HN 0.163 nan 8.280 nan 0.000 0.593 227 P HA -0.102 nan 4.420 nan 0.000 0.229 227 P C -0.086 177.405 177.300 0.317 0.000 1.160 227 P CA 0.724 64.007 63.100 0.306 0.000 0.777 227 P CB 0.618 32.449 31.700 0.219 0.000 0.814 228 F N 1.053 121.087 119.950 0.140 0.000 2.518 228 F HA 0.473 5.008 4.527 0.013 0.000 0.323 228 F C -1.016 174.855 175.800 0.119 0.000 1.129 228 F CA -1.177 56.887 58.000 0.106 0.000 0.920 228 F CB 1.637 40.661 39.000 0.040 0.000 1.160 228 F HN -0.364 nan 8.300 nan 0.000 0.440 229 D N 6.266 126.409 120.400 -0.427 0.000 2.373 229 D HA 0.209 4.857 4.640 0.013 0.000 0.227 229 D C 1.031 176.960 176.300 -0.618 0.000 1.091 229 D CA -0.235 53.561 54.000 -0.340 0.000 0.840 229 D CB 0.998 41.697 40.800 -0.168 0.000 1.060 229 D HN 0.726 nan 8.370 nan 0.000 0.502 230 L N 2.826 123.849 121.223 -0.334 0.000 1.989 230 L HA -0.201 4.147 4.340 0.013 0.000 0.211 230 L C 1.836 178.695 176.870 -0.019 0.000 1.071 230 L CA 1.405 56.169 54.840 -0.126 0.000 0.749 230 L CB -0.357 41.768 42.059 0.110 0.000 0.890 230 L HN 0.555 nan 8.230 nan 0.000 0.431 231 T N -0.491 114.051 114.554 -0.021 0.000 2.665 231 T HA -0.289 4.069 4.350 0.013 0.000 0.268 231 T C 1.821 176.518 174.700 -0.005 0.000 1.035 231 T CA 1.746 63.847 62.100 0.003 0.000 1.151 231 T CB -0.186 68.674 68.868 -0.012 0.000 0.862 231 T HN 0.302 nan 8.240 nan 0.000 0.438 232 K N -0.149 120.223 120.400 -0.047 0.000 2.097 232 K HA 0.004 4.332 4.320 0.013 0.000 0.206 232 K C 1.984 178.577 176.600 -0.012 0.000 1.049 232 K CA 1.011 57.266 56.287 -0.054 0.000 0.933 232 K CB -0.289 32.168 32.500 -0.072 0.000 0.717 232 K HN 0.258 nan 8.250 nan 0.000 0.442 233 F N 2.252 122.150 119.950 -0.086 0.000 2.113 233 F HA -0.150 4.385 4.527 0.013 0.000 0.297 233 F C 1.789 177.724 175.800 0.226 0.000 1.103 233 F CA 1.329 59.421 58.000 0.153 0.000 1.248 233 F CB -0.044 39.042 39.000 0.143 0.000 0.999 233 F HN 0.019 nan 8.300 nan 0.000 0.475 234 N N 0.380 119.262 118.700 0.303 0.000 2.520 234 N HA -0.129 4.619 4.740 0.013 0.000 0.185 234 N C 0.873 176.421 175.510 0.064 0.000 1.068 234 N CA 1.083 54.257 53.050 0.207 0.000 0.911 234 N CB -0.422 38.170 38.487 0.174 0.000 0.961 234 N HN 0.349 nan 8.380 nan 0.000 0.446 235 D N -1.087 119.303 120.400 -0.017 0.000 2.348 235 D HA 0.153 4.801 4.640 0.013 0.000 0.211 235 D C 1.404 177.573 176.300 -0.218 0.000 0.998 235 D CA 0.600 54.547 54.000 -0.090 0.000 0.873 235 D CB 0.184 40.929 40.800 -0.091 0.000 0.925 235 D HN 0.305 nan 8.370 nan 0.000 0.524 236 G N 0.746 109.317 108.800 -0.382 0.000 2.194 236 G HA2 -0.233 3.735 3.960 0.013 0.000 0.236 236 G HA3 -0.233 3.735 3.960 0.013 0.000 0.236 236 G C 0.141 174.272 174.900 -1.282 0.000 0.987 236 G CA -0.069 44.481 45.100 -0.918 0.000 0.635 236 G HN 0.280 nan 8.290 nan 0.000 0.520 237 D N 0.801 120.804 120.400 -0.662 0.000 2.517 237 D HA 0.474 5.122 4.640 0.013 0.000 0.220 237 D C 1.397 177.521 176.300 -0.294 0.000 1.158 237 D CA -0.700 53.032 54.000 -0.448 0.000 0.992 237 D CB -0.354 40.312 40.800 -0.223 0.000 1.058 237 D HN 0.084 nan 8.370 nan 0.000 0.516 238 F N 1.504 121.351 119.950 -0.171 0.000 2.113 238 F HA -0.095 4.440 4.527 0.013 0.000 0.297 238 F C 2.164 178.030 175.800 0.111 0.000 1.103 238 F CA 0.300 58.243 58.000 -0.096 0.000 1.248 238 F CB -0.908 37.985 39.000 -0.178 0.000 0.999 238 F HN 0.311 nan 8.300 nan 0.000 0.475 239 L N 0.181 121.529 121.223 0.208 0.000 2.056 239 L HA -0.108 4.240 4.340 0.013 0.000 0.207 239 L C 2.518 179.451 176.870 0.104 0.000 1.078 239 L CA 1.489 56.421 54.840 0.153 0.000 0.749 239 L CB -0.420 41.693 42.059 0.090 0.000 0.901 239 L HN -0.060 nan 8.230 nan 0.000 0.433 240 R N -0.098 120.428 120.500 0.043 0.000 2.237 240 R HA 0.015 4.363 4.340 0.013 0.000 0.219 240 R C 2.006 178.315 176.300 0.015 0.000 1.080 240 R CA 1.131 57.237 56.100 0.010 0.000 0.995 240 R CB -0.476 29.804 30.300 -0.034 0.000 0.875 240 R HN 0.539 nan 8.270 nan 0.000 0.462 241 A N 0.354 123.202 122.820 0.047 0.000 1.968 241 A HA -0.048 4.280 4.320 0.013 0.000 0.217 241 A C 1.472 179.080 177.584 0.040 0.000 1.169 241 A CA 1.074 53.097 52.037 -0.024 0.000 0.638 241 A CB -0.177 18.768 19.000 -0.090 0.000 0.812 241 A HN 0.284 nan 8.150 nan 0.000 0.446 242 E N -0.327 119.960 120.200 0.144 0.000 2.427 242 E HA -0.154 4.204 4.350 0.013 0.000 0.196 242 E C 1.809 178.477 176.600 0.114 0.000 1.028 242 E CA 0.777 57.284 56.400 0.178 0.000 0.864 242 E CB -0.192 29.629 29.700 0.202 0.000 0.813 242 E HN 0.752 nan 8.360 nan 0.000 0.514 243 Q N 1.661 121.499 119.800 0.064 0.000 2.082 243 Q HA -0.281 4.067 4.340 0.013 0.000 0.211 243 Q C 2.128 178.138 176.000 0.016 0.000 1.002 243 Q CA 2.303 58.120 55.803 0.023 0.000 0.868 243 Q CB -0.219 28.509 28.738 -0.016 0.000 0.931 243 Q HN 0.301 nan 8.270 nan 0.000 0.414 244 Q N -1.683 118.126 119.800 0.016 0.000 2.170 244 Q HA -0.107 4.241 4.340 0.013 0.000 0.203 244 Q C 1.758 177.791 176.000 0.055 0.000 0.976 244 Q CA 1.309 57.102 55.803 -0.016 0.000 0.858 244 Q CB -0.319 28.391 28.738 -0.046 0.000 0.907 244 Q HN 0.560 nan 8.270 nan 0.000 0.433 245 G N 0.466 109.346 108.800 0.133 0.000 2.395 245 G HA2 -0.158 3.810 3.960 0.013 0.000 0.214 245 G HA3 -0.158 3.810 3.960 0.013 0.000 0.214 245 G C 1.359 176.344 174.900 0.142 0.000 1.177 245 G CA 0.355 45.562 45.100 0.178 0.000 0.794 245 G HN 0.295 nan 8.290 nan 0.000 0.532 246 I N 1.189 121.828 120.570 0.116 0.000 2.151 246 I HA -0.233 3.945 4.170 0.013 0.000 0.243 246 I C 2.162 178.336 176.117 0.095 0.000 1.080 246 I CA 1.325 62.683 61.300 0.097 0.000 1.339 246 I CB -0.274 37.774 38.000 0.080 0.000 1.039 246 I HN 0.121 nan 8.210 nan 0.000 0.409 247 N N 0.236 118.994 118.700 0.096 0.000 2.571 247 N HA -0.004 4.744 4.740 0.013 0.000 0.189 247 N C 1.288 176.955 175.510 0.260 0.000 1.154 247 N CA 0.841 53.955 53.050 0.106 0.000 0.907 247 N CB 0.154 38.615 38.487 -0.044 0.000 0.977 247 N HN 0.362 nan 8.380 nan 0.000 0.449 248 A N 0.072 123.031 122.820 0.232 0.000 2.055 248 A HA 0.146 4.474 4.320 0.013 0.000 0.205 248 A C 1.705 179.278 177.584 -0.018 0.000 1.235 248 A CA 0.124 52.232 52.037 0.117 0.000 0.822 248 A CB 0.182 19.219 19.000 0.061 0.000 0.903 248 A HN 0.133 nan 8.150 nan 0.000 0.473 249 E N 0.885 121.108 120.200 0.039 0.000 2.285 249 E HA -0.145 4.213 4.350 0.013 0.000 0.194 249 E C 1.662 178.290 176.600 0.046 0.000 0.997 249 E CA 1.030 57.445 56.400 0.024 0.000 0.845 249 E CB -0.118 29.616 29.700 0.056 0.000 0.782 249 E HN 0.773 nan 8.360 nan 0.000 0.491 250 K N 1.097 121.535 120.400 0.064 0.000 2.281 250 K HA -0.127 4.201 4.320 0.013 0.000 0.203 250 K C 1.941 178.597 176.600 0.092 0.000 1.046 250 K CA 0.963 57.303 56.287 0.088 0.000 0.938 250 K CB -0.283 32.269 32.500 0.086 0.000 0.737 250 K HN 0.117 nan 8.250 nan 0.000 0.458 251 L N 1.816 123.058 121.223 0.033 0.000 2.127 251 L HA -0.107 4.241 4.340 0.013 0.000 0.211 251 L C 1.756 178.732 176.870 0.176 0.000 1.089 251 L CA 1.809 56.674 54.840 0.042 0.000 0.757 251 L CB -0.932 41.014 42.059 -0.189 0.000 0.899 251 L HN 0.507 nan 8.230 nan 0.000 0.434 252 T N -5.098 109.557 114.554 0.168 0.000 3.269 252 T HA 0.193 4.551 4.350 0.013 0.000 0.269 252 T C 1.210 176.092 174.700 0.303 0.000 0.993 252 T CA -0.560 61.711 62.100 0.286 0.000 0.909 252 T CB 0.498 69.481 68.868 0.191 0.000 1.115 252 T HN -0.005 nan 8.240 nan 0.000 0.543 253 K N 0.784 121.348 120.400 0.273 0.000 2.121 253 K HA 0.313 4.641 4.320 0.013 0.000 0.203 253 K C 0.430 177.218 176.600 0.314 0.000 1.041 253 K CA 0.546 57.007 56.287 0.290 0.000 0.969 253 K CB 0.292 32.938 32.500 0.243 0.000 0.799 253 K HN 0.307 nan 8.250 nan 0.000 0.456 254 V N 2.331 122.352 119.914 0.178 0.000 2.638 254 V HA 0.258 4.386 4.120 0.013 0.000 0.306 254 V C -0.481 175.460 176.094 -0.255 0.000 1.052 254 V CA -0.894 61.426 62.300 0.034 0.000 0.885 254 V CB 2.525 34.402 31.823 0.089 0.000 0.999 254 V HN 0.161 nan 8.190 nan 0.000 0.424 255 L N 6.161 127.016 121.223 -0.614 0.000 2.361 255 L HA 0.315 4.663 4.340 0.013 0.000 0.278 255 L C -0.396 176.297 176.870 -0.295 0.000 1.113 255 L CA 0.060 54.341 54.840 -0.931 0.000 0.849 255 L CB -0.116 41.323 42.059 -1.034 0.000 1.155 255 L HN 0.923 nan 8.230 nan 0.000 0.452 256 Y N 3.109 123.326 120.300 -0.138 0.000 3.234 256 Y HA -0.184 4.374 4.550 0.013 0.000 0.207 256 Y C -1.801 174.101 175.900 0.003 0.000 1.316 256 Y CA -0.285 57.797 58.100 -0.031 0.000 1.309 256 Y CB -2.353 36.108 38.460 0.003 0.000 1.408 256 Y HN 0.558 nan 8.280 nan 0.000 0.544 257 P HA -0.045 nan 4.420 nan 0.000 0.274 257 P C 0.485 177.844 177.300 0.099 0.000 1.264 257 P CA -0.176 62.990 63.100 0.110 0.000 0.795 257 P CB 0.735 32.494 31.700 0.098 0.000 1.064 258 N N 1.129 119.882 118.700 0.089 0.000 2.497 258 N HA -0.027 4.721 4.740 0.013 0.000 0.268 258 N C 0.286 175.747 175.510 -0.081 0.000 1.171 258 N CA 0.240 53.324 53.050 0.056 0.000 0.948 258 N CB 0.184 38.763 38.487 0.153 0.000 1.069 258 N HN 0.379 nan 8.380 nan 0.000 0.460 259 D N 1.640 121.965 120.400 -0.126 0.000 2.503 259 D HA -0.075 4.573 4.640 0.013 0.000 0.218 259 D C 1.116 177.283 176.300 -0.222 0.000 1.183 259 D CA -0.240 53.633 54.000 -0.213 0.000 0.827 259 D CB -0.496 40.283 40.800 -0.036 0.000 1.034 259 D HN 0.632 nan 8.370 nan 0.000 0.510 260 N N 1.865 120.481 118.700 -0.140 0.000 2.137 260 N HA -0.202 4.547 4.740 0.013 0.000 0.190 260 N C 0.394 175.912 175.510 0.014 0.000 1.017 260 N CA 1.014 54.058 53.050 -0.011 0.000 0.859 260 N CB -0.678 37.869 38.487 0.100 0.000 1.002 260 N HN 0.440 nan 8.380 nan 0.000 0.428 261 H N -0.995 118.101 119.070 0.044 0.000 2.508 261 H HA 0.208 4.772 4.556 0.013 0.000 0.344 261 H C 1.242 176.605 175.328 0.058 0.000 1.192 261 H CA 0.278 56.353 56.048 0.044 0.000 1.290 261 H CB 0.596 30.381 29.762 0.038 0.000 1.571 261 H HN 0.046 nan 8.280 nan 0.000 0.555 262 T N -1.389 113.232 114.554 0.112 0.000 2.803 262 T HA -0.163 4.195 4.350 0.013 0.000 0.269 262 T C 2.109 176.857 174.700 0.081 0.000 1.052 262 T CA 1.155 63.303 62.100 0.080 0.000 1.136 262 T CB -0.630 68.291 68.868 0.088 0.000 0.864 262 T HN 0.665 nan 8.240 nan 0.000 0.467 263 A N 1.895 124.821 122.820 0.176 0.000 1.902 263 A HA 0.250 4.578 4.320 0.013 0.000 0.217 263 A C 2.762 180.397 177.584 0.085 0.000 1.181 263 A CA 1.630 53.778 52.037 0.186 0.000 0.623 263 A CB -1.596 17.588 19.000 0.306 0.000 0.818 263 A HN 0.615 nan 8.150 nan 0.000 0.443 264 G N -0.224 108.484 108.800 -0.154 0.000 2.422 264 G HA2 -0.191 3.777 3.960 0.013 0.000 0.218 264 G HA3 -0.191 3.777 3.960 0.013 0.000 0.218 264 G C 1.620 176.499 174.900 -0.036 0.000 1.146 264 G CA 1.046 46.022 45.100 -0.206 0.000 0.769 264 G HN 0.400 nan 8.290 nan 0.000 0.547 265 K N 0.760 121.156 120.400 -0.006 0.000 1.991 265 K HA -0.098 4.230 4.320 0.013 0.000 0.212 265 K C 2.307 178.990 176.600 0.139 0.000 1.049 265 K CA 1.412 57.813 56.287 0.190 0.000 0.932 265 K CB -0.614 32.007 32.500 0.202 0.000 0.717 265 K HN 0.364 nan 8.250 nan 0.000 0.441 266 K N 0.897 121.331 120.400 0.057 0.000 2.103 266 K HA -0.172 4.156 4.320 0.013 0.000 0.207 266 K C 2.202 178.791 176.600 -0.018 0.000 1.048 266 K CA 1.003 57.281 56.287 -0.014 0.000 0.930 266 K CB -0.185 32.323 32.500 0.014 0.000 0.716 266 K HN -0.017 nan 8.250 nan 0.000 0.444 267 L N 1.779 123.022 121.223 0.034 0.000 1.976 267 L HA -0.188 4.160 4.340 0.013 0.000 0.209 267 L C 2.206 179.111 176.870 0.058 0.000 1.071 267 L CA 1.709 56.583 54.840 0.056 0.000 0.746 267 L CB -0.622 41.485 42.059 0.080 0.000 0.890 267 L HN 0.139 nan 8.230 nan 0.000 0.432 268 R N -0.544 120.008 120.500 0.087 0.000 2.096 268 R HA -0.191 4.157 4.340 0.013 0.000 0.240 268 R C 2.214 178.527 176.300 0.023 0.000 1.139 268 R CA 1.762 57.945 56.100 0.139 0.000 0.952 268 R CB -1.331 29.151 30.300 0.303 0.000 0.854 268 R HN 0.369 nan 8.270 nan 0.000 0.436 269 L N 0.983 122.062 121.223 -0.239 0.000 2.046 269 L HA -0.101 4.247 4.340 0.013 0.000 0.208 269 L C 2.335 179.088 176.870 -0.196 0.000 1.077 269 L CA 1.623 56.132 54.840 -0.552 0.000 0.747 269 L CB -0.368 41.093 42.059 -0.997 0.000 0.896 269 L HN 0.127 nan 8.230 nan 0.000 0.432 270 M N -1.486 118.074 119.600 -0.066 0.000 2.132 270 M HA -0.241 4.247 4.480 0.013 0.000 0.263 270 M C 2.262 178.652 176.300 0.150 0.000 1.065 270 M CA 1.714 57.056 55.300 0.070 0.000 1.122 270 M CB -0.450 32.197 32.600 0.080 0.000 1.365 270 M HN 0.339 nan 8.290 nan 0.000 0.411 271 Q N 0.188 120.072 119.800 0.140 0.000 2.077 271 Q HA -0.250 4.098 4.340 0.013 0.000 0.206 271 Q C 2.054 178.186 176.000 0.220 0.000 0.989 271 Q CA 1.752 57.692 55.803 0.228 0.000 0.853 271 Q CB -0.292 28.575 28.738 0.215 0.000 0.907 271 Q HN 0.598 nan 8.270 nan 0.000 0.418 272 Q N -0.374 119.511 119.800 0.141 0.000 2.014 272 Q HA -0.246 4.102 4.340 0.013 0.000 0.207 272 Q C 2.018 178.082 176.000 0.106 0.000 0.993 272 Q CA 1.815 57.691 55.803 0.121 0.000 0.850 272 Q CB -0.460 28.340 28.738 0.103 0.000 0.916 272 Q HN 0.418 nan 8.270 nan 0.000 0.417 273 Y N 0.886 121.175 120.300 -0.019 0.000 2.165 273 Y HA -0.289 4.268 4.550 0.012 0.000 0.286 273 Y C 1.985 177.897 175.900 0.019 0.000 1.155 273 Y CA 1.369 59.442 58.100 -0.045 0.000 1.164 273 Y CB -0.518 37.876 38.460 -0.109 0.000 0.978 273 Y HN 0.146 nan 8.280 nan 0.000 0.513 274 F N 1.366 121.141 119.950 -0.293 0.000 2.026 274 F HA -0.255 4.279 4.527 0.012 0.000 0.296 274 F C 2.677 178.236 175.800 -0.402 0.000 1.133 274 F CA 2.515 60.292 58.000 -0.372 0.000 1.188 274 F CB -1.274 37.644 39.000 -0.137 0.000 0.968 274 F HN 0.249 nan 8.300 nan 0.000 0.476 275 Q N -0.268 119.283 119.800 -0.415 0.000 2.112 275 Q HA -0.253 4.095 4.340 0.013 0.000 0.206 275 Q C 2.307 178.049 176.000 -0.429 0.000 0.987 275 Q CA 2.612 58.154 55.803 -0.436 0.000 0.858 275 Q CB -0.620 28.119 28.738 0.002 0.000 0.905 275 Q HN 0.586 nan 8.270 nan 0.000 0.420 276 C N -0.127 119.002 119.300 -0.284 0.000 2.457 276 C HA 0.085 4.553 4.460 0.013 0.000 0.278 276 C C 2.850 177.653 174.990 -0.311 0.000 1.309 276 C CA 0.538 59.432 59.018 -0.205 0.000 1.735 276 C CB -1.184 26.527 27.740 -0.048 0.000 1.992 276 C HN 0.712 nan 8.230 nan 0.000 0.493 277 A N -0.642 121.866 122.820 -0.520 0.000 1.933 277 A HA -0.197 4.131 4.320 0.013 0.000 0.218 277 A C 2.112 179.400 177.584 -0.495 0.000 1.175 277 A CA 2.207 53.948 52.037 -0.492 0.000 0.628 277 A CB -0.986 17.523 19.000 -0.820 0.000 0.814 277 A HN 0.667 nan 8.150 nan 0.000 0.444 278 C N -0.874 117.924 119.300 -0.836 0.000 2.476 278 C HA -0.026 4.442 4.460 0.013 0.000 0.278 278 C C 3.261 177.827 174.990 -0.706 0.000 1.274 278 C CA 1.164 59.465 59.018 -1.194 0.000 1.713 278 C CB -1.174 25.003 27.740 -2.604 0.000 2.039 278 C HN 0.619 nan 8.230 nan 0.000 0.484 279 S N 1.031 116.433 115.700 -0.495 0.000 2.359 279 S HA -0.160 4.318 4.470 0.013 0.000 0.224 279 S C 1.916 176.375 174.600 -0.234 0.000 1.035 279 S CA 1.629 59.684 58.200 -0.243 0.000 1.018 279 S CB -0.526 62.431 63.200 -0.404 0.000 0.876 279 S HN 0.468 nan 8.310 nan 0.000 0.448 280 V N 2.266 122.073 119.914 -0.178 0.000 2.255 280 V HA -0.267 3.861 4.120 0.013 0.000 0.247 280 V C 2.731 178.793 176.094 -0.052 0.000 1.051 280 V CA 1.853 64.103 62.300 -0.083 0.000 1.018 280 V CB -1.366 30.447 31.823 -0.016 0.000 0.641 280 V HN 0.561 nan 8.190 nan 0.000 0.445 281 A N -0.102 122.681 122.820 -0.061 0.000 1.892 281 A HA -0.346 3.982 4.320 0.013 0.000 0.218 281 A C 2.075 179.691 177.584 0.054 0.000 1.188 281 A CA 2.477 54.506 52.037 -0.013 0.000 0.631 281 A CB -0.809 18.156 19.000 -0.058 0.000 0.822 281 A HN 0.604 nan 8.150 nan 0.000 0.447 282 D N -0.247 120.225 120.400 0.120 0.000 2.084 282 D HA -0.117 4.531 4.640 0.013 0.000 0.194 282 D C 1.800 178.207 176.300 0.178 0.000 0.990 282 D CA 1.443 55.592 54.000 0.249 0.000 0.826 282 D CB -0.289 40.839 40.800 0.546 0.000 0.971 282 D HN 0.471 nan 8.370 nan 0.000 0.453 283 I N 0.233 120.875 120.570 0.120 0.000 2.151 283 I HA -0.296 3.882 4.170 0.013 0.000 0.243 283 I C 2.487 178.645 176.117 0.069 0.000 1.080 283 I CA 0.841 62.199 61.300 0.096 0.000 1.339 283 I CB -0.289 37.715 38.000 0.006 0.000 1.039 283 I HN 0.121 nan 8.210 nan 0.000 0.409 284 L N 0.069 121.314 121.223 0.037 0.000 2.131 284 L HA -0.219 4.129 4.340 0.013 0.000 0.210 284 L C 2.747 179.683 176.870 0.110 0.000 1.092 284 L CA 1.166 56.032 54.840 0.043 0.000 0.759 284 L CB -0.575 41.480 42.059 -0.006 0.000 0.903 284 L HN 0.262 nan 8.230 nan 0.000 0.435 285 R N 0.458 121.024 120.500 0.109 0.000 2.070 285 R HA -0.206 4.142 4.340 0.013 0.000 0.233 285 R C 2.522 178.893 176.300 0.118 0.000 1.137 285 R CA 1.566 57.745 56.100 0.131 0.000 0.945 285 R CB -0.206 30.164 30.300 0.117 0.000 0.845 285 R HN 0.181 nan 8.270 nan 0.000 0.430 286 R N -0.635 119.914 120.500 0.082 0.000 2.097 286 R HA -0.264 4.084 4.340 0.013 0.000 0.236 286 R C 2.289 178.598 176.300 0.015 0.000 1.135 286 R CA 2.377 58.488 56.100 0.019 0.000 0.934 286 R CB -0.653 29.637 30.300 -0.016 0.000 0.846 286 R HN 0.421 nan 8.270 nan 0.000 0.431 287 H N -0.584 118.457 119.070 -0.049 0.000 2.422 287 H HA -0.186 4.378 4.556 0.013 0.000 0.298 287 H C 2.086 177.382 175.328 -0.054 0.000 1.098 287 H CA 2.326 58.326 56.048 -0.081 0.000 1.315 287 H CB -0.219 29.513 29.762 -0.050 0.000 1.382 287 H HN 0.410 nan 8.280 nan 0.000 0.523 288 H N -0.595 118.444 119.070 -0.051 0.000 2.384 288 H HA -0.048 4.517 4.556 0.016 0.000 0.300 288 H C 1.947 177.209 175.328 -0.111 0.000 1.057 288 H CA 0.878 56.872 56.048 -0.090 0.000 1.370 288 H CB 0.120 29.879 29.762 -0.004 0.000 1.417 288 H HN 0.297 nan 8.280 nan 0.000 0.527 289 L N 1.154 122.250 121.223 -0.212 0.000 2.191 289 L HA -0.075 4.273 4.340 0.013 0.000 0.212 289 L C 2.744 179.462 176.870 -0.253 0.000 1.103 289 L CA 1.335 56.018 54.840 -0.262 0.000 0.769 289 L CB -1.359 40.628 42.059 -0.120 0.000 0.908 289 L HN 0.336 nan 8.230 nan 0.000 0.438 290 A N -0.646 122.028 122.820 -0.243 0.000 2.121 290 A HA 0.108 4.436 4.320 0.013 0.000 0.218 290 A C 1.677 179.079 177.584 -0.303 0.000 1.154 290 A CA 1.018 52.895 52.037 -0.266 0.000 0.679 290 A CB -0.538 18.274 19.000 -0.313 0.000 0.795 290 A HN 0.553 nan 8.150 nan 0.000 0.458 291 G N -0.807 107.794 108.800 -0.332 0.000 2.212 291 G HA2 -0.243 3.725 3.960 0.013 0.000 0.255 291 G HA3 -0.243 3.725 3.960 0.013 0.000 0.255 291 G C 0.006 174.736 174.900 -0.283 0.000 1.062 291 G CA 0.295 45.226 45.100 -0.282 0.000 0.815 291 G HN 0.728 nan 8.290 nan 0.000 0.497 292 R N -0.150 120.093 120.500 -0.429 0.000 2.664 292 R HA 0.561 4.909 4.340 0.013 0.000 0.286 292 R C 0.374 176.510 176.300 -0.273 0.000 0.967 292 R CA -0.874 54.942 56.100 -0.474 0.000 0.933 292 R CB 1.560 31.277 30.300 -0.971 0.000 1.146 292 R HN 0.401 nan 8.270 nan 0.000 0.468 293 E N 2.292 122.466 120.200 -0.043 0.000 2.437 293 E HA -0.106 4.252 4.350 0.013 0.000 0.263 293 E C 0.292 177.025 176.600 0.221 0.000 1.030 293 E CA -0.030 56.433 56.400 0.105 0.000 0.934 293 E CB 0.763 30.559 29.700 0.160 0.000 0.943 293 E HN 0.546 nan 8.360 nan 0.000 0.444 294 L N 3.735 125.045 121.223 0.146 0.000 2.156 294 L HA -0.151 4.197 4.340 0.013 0.000 0.208 294 L C 1.816 178.674 176.870 -0.020 0.000 1.095 294 L CA 1.115 55.989 54.840 0.057 0.000 0.770 294 L CB -0.219 41.739 42.059 -0.168 0.000 0.914 294 L HN 0.740 nan 8.230 nan 0.000 0.439 295 H N -0.303 118.813 119.070 0.077 0.000 2.489 295 H HA -0.176 4.388 4.556 0.013 0.000 0.293 295 H C 1.500 176.866 175.328 0.064 0.000 1.066 295 H CA 1.483 57.560 56.048 0.048 0.000 1.305 295 H CB 0.174 29.966 29.762 0.050 0.000 1.386 295 H HN 0.521 nan 8.280 nan 0.000 0.551 296 E N 0.899 121.253 120.200 0.255 0.000 2.419 296 E HA 0.024 4.382 4.350 0.013 0.000 0.190 296 E C 1.558 178.342 176.600 0.305 0.000 1.040 296 E CA -0.128 56.427 56.400 0.258 0.000 0.900 296 E CB -0.032 29.872 29.700 0.339 0.000 1.054 296 E HN 0.457 nan 8.360 nan 0.000 0.462 297 L N 1.065 122.339 121.223 0.085 0.000 1.990 297 L HA -0.267 4.081 4.340 0.013 0.000 0.213 297 L C 2.476 179.264 176.870 -0.137 0.000 1.072 297 L CA 2.008 56.646 54.840 -0.337 0.000 0.755 297 L CB -0.414 41.384 42.059 -0.435 0.000 0.889 297 L HN 0.358 nan 8.230 nan 0.000 0.432 298 A N -0.420 122.331 122.820 -0.115 0.000 2.032 298 A HA -0.267 4.061 4.320 0.013 0.000 0.221 298 A C 1.765 179.271 177.584 -0.130 0.000 1.165 298 A CA 2.056 54.016 52.037 -0.127 0.000 0.645 298 A CB -0.663 18.256 19.000 -0.136 0.000 0.807 298 A HN 0.624 nan 8.150 nan 0.000 0.453 299 D N -1.936 118.373 120.400 -0.153 0.000 2.269 299 D HA -0.060 4.588 4.640 0.013 0.000 0.208 299 D C 0.879 176.900 176.300 -0.466 0.000 0.963 299 D CA 1.130 54.917 54.000 -0.354 0.000 0.864 299 D CB -0.145 40.336 40.800 -0.531 0.000 0.936 299 D HN 0.724 nan 8.370 nan 0.000 0.505 300 Y N 0.005 120.323 120.300 0.029 0.000 2.430 300 Y HA 0.240 4.798 4.550 0.013 0.000 0.248 300 Y C 0.644 176.575 175.900 0.053 0.000 1.108 300 Y CA -0.151 57.993 58.100 0.073 0.000 1.264 300 Y CB 0.907 39.478 38.460 0.184 0.000 1.172 300 Y HN -0.281 nan 8.280 nan 0.000 0.520 301 E N 0.859 121.118 120.200 0.098 0.000 2.293 301 E HA 0.610 4.968 4.350 0.013 0.000 0.270 301 E C -1.274 175.324 176.600 -0.003 0.000 0.879 301 E CA -0.732 55.701 56.400 0.055 0.000 0.756 301 E CB 3.186 32.877 29.700 -0.014 0.000 1.208 301 E HN -0.160 nan 8.360 nan 0.000 0.428 302 V N 0.802 120.722 119.914 0.010 0.000 2.709 302 V HA 0.560 4.688 4.120 0.013 0.000 0.308 302 V C -0.009 176.087 176.094 0.004 0.000 1.062 302 V CA -0.831 61.507 62.300 0.064 0.000 0.901 302 V CB 1.838 33.758 31.823 0.161 0.000 1.003 302 V HN 0.560 nan 8.190 nan 0.000 0.425 303 I N 3.117 123.690 120.570 0.005 0.000 2.390 303 I HA 0.371 4.549 4.170 0.013 0.000 0.283 303 I C -0.400 175.807 176.117 0.149 0.000 1.016 303 I CA -0.495 60.820 61.300 0.024 0.000 1.151 303 I CB 1.780 39.719 38.000 -0.102 0.000 1.293 303 I HN 0.654 nan 8.210 nan 0.000 0.458 304 Q N 6.747 126.648 119.800 0.168 0.000 2.323 304 Q HA 0.326 4.674 4.340 0.013 0.000 0.257 304 Q C -0.837 175.212 176.000 0.081 0.000 1.022 304 Q CA 0.083 56.011 55.803 0.207 0.000 0.919 304 Q CB 0.724 29.678 28.738 0.359 0.000 1.220 304 Q HN 0.586 nan 8.270 nan 0.000 0.427 305 L N 4.351 125.652 121.223 0.130 0.000 2.375 305 L HA 0.240 4.588 4.340 0.013 0.000 0.276 305 L C 0.344 177.283 176.870 0.116 0.000 1.162 305 L CA -0.491 54.426 54.840 0.129 0.000 0.991 305 L CB -0.007 42.150 42.059 0.164 0.000 1.315 305 L HN 0.567 nan 8.230 nan 0.000 0.431 306 N N 4.053 122.746 118.700 -0.012 0.000 2.400 306 N HA -0.005 4.743 4.740 0.013 0.000 0.267 306 N C -0.182 175.363 175.510 0.057 0.000 1.208 306 N CA 0.636 53.675 53.050 -0.017 0.000 0.951 306 N CB -0.026 38.307 38.487 -0.256 0.000 1.227 306 N HN 0.527 nan 8.380 nan 0.000 0.488 307 D N -0.180 120.323 120.400 0.172 0.000 10.186 307 D HA -0.195 4.454 4.640 0.013 0.000 0.355 307 D C 0.360 176.835 176.300 0.291 0.000 3.006 307 D CA 1.352 55.476 54.000 0.208 0.000 2.406 307 D CB -0.322 40.407 40.800 -0.117 0.000 1.188 307 D HN 0.573 nan 8.370 nan 0.000 1.028 308 T N -2.210 112.434 114.554 0.149 0.000 3.284 308 T HA 0.083 4.441 4.350 0.013 0.000 0.252 308 T C 1.416 176.201 174.700 0.142 0.000 1.144 308 T CA 1.327 63.464 62.100 0.061 0.000 1.021 308 T CB -0.432 68.446 68.868 0.016 0.000 0.984 308 T HN 0.475 nan 8.240 nan 0.000 0.545 309 H N 2.005 121.193 119.070 0.197 0.000 2.317 309 H HA 0.081 4.645 4.556 0.013 0.000 0.304 309 H C -0.756 174.669 175.328 0.161 0.000 1.067 309 H CA 0.424 56.600 56.048 0.213 0.000 1.352 309 H CB -0.735 29.161 29.762 0.224 0.000 1.398 309 H HN 0.372 nan 8.280 nan 0.000 0.510 310 P HA 0.011 nan 4.420 nan 0.000 0.249 310 P C 0.734 178.066 177.300 0.053 0.000 1.241 310 P CA 0.709 63.898 63.100 0.147 0.000 0.781 310 P CB 0.107 31.889 31.700 0.137 0.000 1.088 311 T N 0.194 114.776 114.554 0.047 0.000 2.685 311 T HA -0.228 4.130 4.350 0.013 0.000 0.268 311 T C 1.573 176.222 174.700 -0.086 0.000 1.034 311 T CA 1.228 63.292 62.100 -0.060 0.000 1.149 311 T CB -0.851 68.006 68.868 -0.018 0.000 0.860 311 T HN 0.105 nan 8.240 nan 0.000 0.449 312 I N 1.388 121.961 120.570 0.004 0.000 2.657 312 I HA -0.057 4.121 4.170 0.013 0.000 0.261 312 I C 2.308 178.442 176.117 0.029 0.000 1.212 312 I CA 0.277 61.586 61.300 0.015 0.000 1.453 312 I CB -0.527 37.491 38.000 0.029 0.000 1.092 312 I HN 0.205 nan 8.210 nan 0.000 0.452 313 A N 0.133 122.936 122.820 -0.028 0.000 2.015 313 A HA -0.122 4.206 4.320 0.013 0.000 0.219 313 A C 2.267 179.774 177.584 -0.128 0.000 1.163 313 A CA 1.401 53.436 52.037 -0.003 0.000 0.646 313 A CB -0.706 18.324 19.000 0.050 0.000 0.806 313 A HN 0.472 nan 8.150 nan 0.000 0.448 314 I N 0.622 120.901 120.570 -0.485 0.000 2.076 314 I HA -0.175 4.003 4.170 0.013 0.000 0.237 314 I C -0.189 175.841 176.117 -0.146 0.000 1.059 314 I CA 1.789 62.672 61.300 -0.694 0.000 1.317 314 I CB -1.362 36.219 38.000 -0.699 0.000 1.037 314 I HN 0.241 nan 8.210 nan 0.000 0.398 315 P HA -0.199 nan 4.420 nan 0.000 0.218 315 P C 1.364 178.722 177.300 0.096 0.000 1.148 315 P CA 1.537 64.687 63.100 0.084 0.000 0.822 315 P CB -0.153 31.633 31.700 0.143 0.000 0.784 316 E N -0.031 120.281 120.200 0.187 0.000 2.097 316 E HA -0.182 4.176 4.350 0.013 0.000 0.196 316 E C 1.980 178.670 176.600 0.151 0.000 1.000 316 E CA 0.905 57.458 56.400 0.254 0.000 0.804 316 E CB -0.835 29.061 29.700 0.328 0.000 0.740 316 E HN 0.158 nan 8.360 nan 0.000 0.454 317 L N 0.536 121.849 121.223 0.150 0.000 2.141 317 L HA -0.093 4.255 4.340 0.013 0.000 0.209 317 L C 2.257 179.154 176.870 0.046 0.000 1.094 317 L CA 1.196 56.104 54.840 0.114 0.000 0.763 317 L CB -0.427 41.748 42.059 0.194 0.000 0.908 317 L HN 0.082 nan 8.230 nan 0.000 0.437 318 L N -0.744 120.499 121.223 0.032 0.000 2.046 318 L HA -0.190 4.158 4.340 0.013 0.000 0.208 318 L C 2.801 179.678 176.870 0.011 0.000 1.077 318 L CA 1.514 56.338 54.840 -0.026 0.000 0.747 318 L CB -0.569 41.456 42.059 -0.055 0.000 0.896 318 L HN 0.277 nan 8.230 nan 0.000 0.432 319 R N 0.013 120.520 120.500 0.012 0.000 2.083 319 R HA -0.157 4.191 4.340 0.013 0.000 0.237 319 R C 2.206 178.554 176.300 0.080 0.000 1.137 319 R CA 1.722 57.829 56.100 0.012 0.000 0.951 319 R CB -0.215 30.020 30.300 -0.110 0.000 0.851 319 R HN 0.166 nan 8.270 nan 0.000 0.434 320 V N 1.170 121.144 119.914 0.100 0.000 2.343 320 V HA -0.250 3.878 4.120 0.013 0.000 0.247 320 V C 2.277 178.514 176.094 0.239 0.000 1.051 320 V CA 1.407 63.807 62.300 0.166 0.000 1.036 320 V CB -0.445 31.461 31.823 0.139 0.000 0.654 320 V HN 0.246 nan 8.190 nan 0.000 0.451 321 L N -0.800 120.482 121.223 0.099 0.000 2.027 321 L HA -0.063 4.285 4.340 0.013 0.000 0.206 321 L C 2.118 179.063 176.870 0.124 0.000 1.074 321 L CA 1.830 56.706 54.840 0.060 0.000 0.745 321 L CB -0.548 41.472 42.059 -0.065 0.000 0.898 321 L HN 0.206 nan 8.230 nan 0.000 0.433 322 I N -0.862 119.768 120.570 0.099 0.000 2.110 322 I HA -0.250 3.928 4.170 0.013 0.000 0.236 322 I C 2.026 178.215 176.117 0.121 0.000 1.068 322 I CA 1.282 62.655 61.300 0.122 0.000 1.333 322 I CB -0.386 37.702 38.000 0.146 0.000 1.054 322 I HN 0.203 nan 8.210 nan 0.000 0.402 323 D N 0.630 121.098 120.400 0.115 0.000 2.103 323 D HA -0.135 4.513 4.640 0.013 0.000 0.199 323 D C 1.996 178.341 176.300 0.074 0.000 0.978 323 D CA 1.276 55.337 54.000 0.101 0.000 0.829 323 D CB -0.151 40.717 40.800 0.114 0.000 0.981 323 D HN 0.377 nan 8.370 nan 0.000 0.464 324 E N -1.045 119.202 120.200 0.077 0.000 2.474 324 E HA 0.011 4.369 4.350 0.013 0.000 0.194 324 E C 0.524 176.987 176.600 -0.228 0.000 1.041 324 E CA 0.308 56.687 56.400 -0.035 0.000 0.874 324 E CB 0.300 29.994 29.700 -0.011 0.000 0.914 324 E HN 0.388 nan 8.360 nan 0.000 0.498 325 H N -0.550 118.529 119.070 0.015 0.000 3.078 325 H HA 0.136 4.703 4.556 0.018 0.000 0.263 325 H C -0.611 174.730 175.328 0.022 0.000 1.177 325 H CA -0.226 55.824 56.048 0.002 0.000 1.128 325 H CB 0.704 30.449 29.762 -0.029 0.000 1.623 325 H HN -0.114 nan 8.280 nan 0.000 0.592 326 Q N -0.342 119.524 119.800 0.111 0.000 2.452 326 Q HA -0.214 4.134 4.340 0.013 0.000 0.318 326 Q C -0.550 175.525 176.000 0.125 0.000 1.386 326 Q CA 0.763 56.627 55.803 0.102 0.000 0.872 326 Q CB -1.553 27.231 28.738 0.076 0.000 1.151 326 Q HN 0.568 nan 8.270 nan 0.000 0.417 327 M N -0.310 119.369 119.600 0.132 0.000 2.528 327 M HA 0.440 4.928 4.480 0.013 0.000 0.318 327 M C -0.267 176.126 176.300 0.154 0.000 1.195 327 M CA -0.442 54.942 55.300 0.140 0.000 1.000 327 M CB 1.409 34.062 32.600 0.089 0.000 1.615 327 M HN 0.190 nan 8.290 nan 0.000 0.469 328 S N 2.719 118.523 115.700 0.174 0.000 2.565 328 S HA 0.001 4.479 4.470 0.013 0.000 0.276 328 S C 0.717 175.458 174.600 0.234 0.000 1.326 328 S CA -0.627 57.691 58.200 0.197 0.000 1.045 328 S CB 0.692 64.000 63.200 0.181 0.000 0.918 328 S HN 0.937 nan 8.310 nan 0.000 0.505 329 W N 3.791 125.162 121.300 0.118 0.000 2.304 329 W HA -0.257 4.409 4.660 0.010 0.000 0.315 329 W C 0.668 177.304 176.519 0.195 0.000 1.233 329 W CA 2.113 59.540 57.345 0.137 0.000 1.261 329 W CB -0.459 29.053 29.460 0.087 0.000 1.150 329 W HN 0.734 nan 8.180 nan 0.000 0.494 330 D N 0.211 120.834 120.400 0.372 0.000 2.219 330 D HA -0.166 4.482 4.640 0.013 0.000 0.205 330 D C 1.408 177.831 176.300 0.205 0.000 0.970 330 D CA 1.741 55.923 54.000 0.304 0.000 0.851 330 D CB -0.426 40.556 40.800 0.304 0.000 0.943 330 D HN 0.224 nan 8.370 nan 0.000 0.488 331 D N 0.679 121.181 120.400 0.171 0.000 2.123 331 D HA -0.036 4.612 4.640 0.013 0.000 0.200 331 D C 2.088 178.445 176.300 0.095 0.000 0.976 331 D CA 1.011 55.112 54.000 0.169 0.000 0.831 331 D CB -0.179 40.762 40.800 0.235 0.000 0.974 331 D HN 0.091 nan 8.370 nan 0.000 0.469 332 A N 0.380 123.211 122.820 0.017 0.000 1.898 332 A HA -0.165 4.163 4.320 0.013 0.000 0.216 332 A C 2.083 179.593 177.584 -0.124 0.000 1.181 332 A CA 0.918 52.904 52.037 -0.085 0.000 0.620 332 A CB -1.140 17.778 19.000 -0.137 0.000 0.819 332 A HN 0.449 nan 8.150 nan 0.000 0.442 333 W N 0.711 121.793 121.300 -0.363 0.000 2.363 333 W HA -0.121 4.546 4.660 0.012 0.000 0.296 333 W C 2.088 178.547 176.519 -0.099 0.000 1.212 333 W CA 1.472 58.635 57.345 -0.304 0.000 1.260 333 W CB -0.096 29.167 29.460 -0.328 0.000 1.131 333 W HN 0.418 nan 8.180 nan 0.000 0.530 334 A N 0.092 122.940 122.820 0.047 0.000 2.259 334 A HA -0.069 4.259 4.320 0.013 0.000 0.212 334 A C 1.677 179.218 177.584 -0.070 0.000 1.178 334 A CA 1.344 53.393 52.037 0.021 0.000 0.734 334 A CB -0.531 18.530 19.000 0.101 0.000 0.774 334 A HN 0.391 nan 8.150 nan 0.000 0.481 335 I N -1.893 118.592 120.570 -0.142 0.000 3.518 335 I HA -0.069 4.109 4.170 0.013 0.000 0.260 335 I C 2.666 178.646 176.117 -0.229 0.000 1.148 335 I CA 1.042 62.247 61.300 -0.158 0.000 1.440 335 I CB -0.770 37.141 38.000 -0.148 0.000 1.485 335 I HN 0.352 nan 8.210 nan 0.000 0.456 336 T N 0.206 114.601 114.554 -0.265 0.000 2.620 336 T HA -0.276 4.082 4.350 0.013 0.000 0.267 336 T C 2.031 176.612 174.700 -0.200 0.000 1.044 336 T CA 2.237 64.222 62.100 -0.192 0.000 1.161 336 T CB -1.116 67.635 68.868 -0.197 0.000 0.862 336 T HN 0.444 nan 8.240 nan 0.000 0.438 337 S N 1.687 117.075 115.700 -0.519 0.000 2.383 337 S HA -0.072 4.406 4.470 0.013 0.000 0.229 337 S C 1.985 176.568 174.600 -0.028 0.000 1.030 337 S CA 1.057 59.005 58.200 -0.420 0.000 1.002 337 S CB -0.502 62.324 63.200 -0.624 0.000 0.829 337 S HN 0.601 nan 8.310 nan 0.000 0.467 338 K N 0.357 120.727 120.400 -0.051 0.000 2.444 338 K HA 0.187 4.515 4.320 0.013 0.000 0.193 338 K C 0.892 177.522 176.600 0.050 0.000 1.024 338 K CA 0.673 56.954 56.287 -0.010 0.000 1.077 338 K CB 0.137 32.561 32.500 -0.127 0.000 0.833 338 K HN 0.445 nan 8.250 nan 0.000 0.517 339 T N -0.394 114.207 114.554 0.079 0.000 3.026 339 T HA 0.172 4.530 4.350 0.013 0.000 0.245 339 T C 0.096 174.778 174.700 -0.031 0.000 1.004 339 T CA 0.054 62.122 62.100 -0.053 0.000 1.069 339 T CB 0.160 68.775 68.868 -0.422 0.000 1.005 339 T HN -0.111 nan 8.240 nan 0.000 0.472 340 F N 1.998 121.958 119.950 0.018 0.000 2.375 340 F HA 0.673 5.208 4.527 0.012 0.000 0.333 340 F C 0.472 175.899 175.800 -0.622 0.000 1.104 340 F CA -1.222 56.663 58.000 -0.192 0.000 1.149 340 F CB 0.736 39.611 39.000 -0.209 0.000 1.190 340 F HN 0.021 nan 8.300 nan 0.000 0.533 341 A N 2.641 125.308 122.820 -0.255 0.000 2.455 341 A HA 0.596 4.924 4.320 0.013 0.000 0.300 341 A C -2.054 175.485 177.584 -0.074 0.000 1.040 341 A CA -0.589 51.174 52.037 -0.456 0.000 0.697 341 A CB 0.847 19.582 19.000 -0.442 0.000 1.265 341 A HN 0.653 nan 8.150 nan 0.000 0.407 342 Y N 1.199 121.358 120.300 -0.235 0.000 2.534 342 Y HA 0.786 5.345 4.550 0.014 0.000 0.329 342 Y C -0.252 175.613 175.900 -0.057 0.000 1.154 342 Y CA -0.702 57.313 58.100 -0.141 0.000 1.192 342 Y CB 2.059 40.380 38.460 -0.231 0.000 1.275 342 Y HN 0.602 nan 8.280 nan 0.000 0.491 343 T N 4.784 118.872 114.554 -0.776 0.000 2.991 343 T HA 0.194 4.552 4.350 0.013 0.000 0.303 343 T C -1.376 172.849 174.700 -0.792 0.000 1.015 343 T CA -0.946 60.815 62.100 -0.565 0.000 1.007 343 T CB 0.732 69.577 68.868 -0.038 0.000 1.034 343 T HN 0.601 nan 8.240 nan 0.000 0.446 344 N N 1.524 119.903 118.700 -0.534 0.000 2.419 344 N HA 0.183 4.931 4.740 0.013 0.000 0.264 344 N C 0.543 176.108 175.510 0.093 0.000 1.031 344 N CA -0.097 52.888 53.050 -0.107 0.000 0.951 344 N CB 0.710 39.295 38.487 0.165 0.000 1.101 344 N HN 0.662 nan 8.380 nan 0.000 0.488 345 H N 1.419 120.537 119.070 0.080 0.000 2.439 345 H HA 0.049 4.613 4.556 0.013 0.000 0.299 345 H C 0.610 175.870 175.328 -0.114 0.000 1.033 345 H CA 1.463 57.517 56.048 0.011 0.000 1.348 345 H CB 0.950 30.719 29.762 0.012 0.000 1.449 345 H HN 0.689 nan 8.280 nan 0.000 0.544 346 T N -2.407 112.188 114.554 0.067 0.000 3.080 346 T HA 0.129 4.487 4.350 0.013 0.000 0.280 346 T C 0.814 175.493 174.700 -0.035 0.000 0.926 346 T CA -0.039 62.026 62.100 -0.058 0.000 0.883 346 T CB 0.518 69.383 68.868 -0.005 0.000 1.194 346 T HN 0.080 nan 8.240 nan 0.000 0.541 347 L N -0.022 121.265 121.223 0.107 0.000 5.081 347 L HA -0.100 4.248 4.340 0.013 0.000 0.423 347 L C -0.202 176.673 176.870 0.010 0.000 1.019 347 L CA 0.871 55.759 54.840 0.081 0.000 1.223 347 L CB -1.311 40.784 42.059 0.059 0.000 1.940 347 L HN 0.450 nan 8.230 nan 0.000 0.675 348 M N 1.174 120.776 119.600 0.002 0.000 2.185 348 M HA 0.241 4.729 4.480 0.013 0.000 0.357 348 M C -0.604 175.725 176.300 0.049 0.000 1.260 348 M CA -1.649 53.664 55.300 0.021 0.000 1.124 348 M CB 0.379 33.017 32.600 0.063 0.000 1.600 348 M HN -0.133 nan 8.290 nan 0.000 0.467 349 P HA -0.239 nan 4.420 nan 0.000 0.217 349 P C 0.809 178.108 177.300 -0.001 0.000 1.151 349 P CA 1.745 64.856 63.100 0.020 0.000 0.849 349 P CB -0.202 31.505 31.700 0.011 0.000 0.787 350 E N 0.639 120.844 120.200 0.008 0.000 2.209 350 E HA -0.143 4.215 4.350 0.013 0.000 0.196 350 E C 1.764 178.366 176.600 0.003 0.000 0.993 350 E CA 1.534 57.925 56.400 -0.014 0.000 0.819 350 E CB -0.960 28.736 29.700 -0.006 0.000 0.745 350 E HN 0.249 nan 8.360 nan 0.000 0.477 351 A N 0.935 123.765 122.820 0.017 0.000 2.275 351 A HA 0.191 4.519 4.320 0.013 0.000 0.212 351 A C 1.049 178.653 177.584 0.033 0.000 1.201 351 A CA -0.095 51.937 52.037 -0.008 0.000 0.843 351 A CB 0.265 19.278 19.000 0.021 0.000 0.873 351 A HN 0.118 nan 8.150 nan 0.000 0.492 352 L N 1.955 123.196 121.223 0.031 0.000 2.825 352 L HA 0.252 4.600 4.340 0.013 0.000 0.236 352 L C -0.284 176.557 176.870 -0.048 0.000 1.301 352 L CA 0.068 54.936 54.840 0.047 0.000 0.977 352 L CB -0.639 41.467 42.059 0.077 0.000 1.300 352 L HN 0.478 nan 8.230 nan 0.000 0.486 353 E N 2.212 122.354 120.200 -0.098 0.000 2.422 353 E HA 0.328 4.686 4.350 0.013 0.000 0.260 353 E C -0.004 176.376 176.600 -0.365 0.000 1.108 353 E CA -0.324 55.901 56.400 -0.292 0.000 0.943 353 E CB 0.695 30.214 29.700 -0.302 0.000 0.961 353 E HN 0.353 nan 8.360 nan 0.000 0.443 354 R N 0.701 120.817 120.500 -0.639 0.000 2.535 354 R HA 0.412 4.760 4.340 0.013 0.000 0.274 354 R C -1.891 174.008 176.300 -0.669 0.000 1.090 354 R CA -0.905 54.852 56.100 -0.571 0.000 0.930 354 R CB 0.694 30.652 30.300 -0.569 0.000 1.223 354 R HN 0.463 nan 8.270 nan 0.000 0.441 355 W N 1.758 122.968 121.300 -0.150 0.000 2.573 355 W HA 0.338 5.007 4.660 0.016 0.000 0.326 355 W C -0.630 175.827 176.519 -0.103 0.000 1.049 355 W CA -0.551 56.737 57.345 -0.096 0.000 1.220 355 W CB 1.566 30.990 29.460 -0.060 0.000 1.373 355 W HN 0.533 nan 8.180 nan 0.000 0.507 356 D N 1.512 121.999 120.400 0.145 0.000 2.450 356 D HA 0.021 4.669 4.640 0.013 0.000 0.247 356 D C 1.143 177.493 176.300 0.084 0.000 1.162 356 D CA 0.005 54.046 54.000 0.069 0.000 0.879 356 D CB 1.143 41.980 40.800 0.061 0.000 1.163 356 D HN 0.125 nan 8.370 nan 0.000 0.472 357 V N 3.139 123.085 119.914 0.054 0.000 2.277 357 V HA -0.387 3.741 4.120 0.013 0.000 0.253 357 V C 2.380 178.496 176.094 0.037 0.000 1.067 357 V CA 2.156 64.484 62.300 0.048 0.000 1.047 357 V CB -0.538 31.311 31.823 0.043 0.000 0.649 357 V HN 0.725 nan 8.190 nan 0.000 0.447 358 K N -0.566 119.857 120.400 0.037 0.000 2.127 358 K HA -0.240 4.088 4.320 0.013 0.000 0.208 358 K C 2.107 178.720 176.600 0.023 0.000 1.047 358 K CA 1.830 58.134 56.287 0.029 0.000 0.927 358 K CB -0.226 32.294 32.500 0.032 0.000 0.716 358 K HN 0.457 nan 8.250 nan 0.000 0.450 359 L N 0.033 121.277 121.223 0.035 0.000 1.950 359 L HA -0.178 4.171 4.340 0.013 0.000 0.210 359 L C 2.349 179.196 176.870 -0.038 0.000 1.079 359 L CA 1.535 56.385 54.840 0.017 0.000 0.754 359 L CB -0.552 41.547 42.059 0.067 0.000 0.889 359 L HN 0.194 nan 8.230 nan 0.000 0.433 360 V N -0.027 119.857 119.914 -0.051 0.000 2.380 360 V HA -0.354 3.774 4.120 0.013 0.000 0.251 360 V C 2.601 178.635 176.094 -0.100 0.000 1.063 360 V CA 2.475 64.704 62.300 -0.119 0.000 1.055 360 V CB -0.370 31.395 31.823 -0.097 0.000 0.657 360 V HN 0.550 nan 8.190 nan 0.000 0.455 361 K N 0.768 121.141 120.400 -0.046 0.000 2.009 361 K HA -0.069 4.259 4.320 0.013 0.000 0.210 361 K C 2.063 178.639 176.600 -0.040 0.000 1.049 361 K CA 2.325 58.589 56.287 -0.037 0.000 0.929 361 K CB -1.276 31.220 32.500 -0.006 0.000 0.714 361 K HN 0.535 nan 8.250 nan 0.000 0.440 362 G N 0.244 109.031 108.800 -0.022 0.000 2.394 362 G HA2 -0.164 3.804 3.960 0.013 0.000 0.215 362 G HA3 -0.164 3.804 3.960 0.013 0.000 0.215 362 G C 1.429 176.328 174.900 -0.000 0.000 1.165 362 G CA 0.745 45.845 45.100 -0.000 0.000 0.784 362 G HN 0.295 nan 8.290 nan 0.000 0.535 363 L N -0.278 120.919 121.223 -0.043 0.000 2.044 363 L HA 0.265 4.613 4.340 0.013 0.000 0.205 363 L C 0.505 177.313 176.870 -0.104 0.000 1.075 363 L CA 1.226 56.035 54.840 -0.052 0.000 0.747 363 L CB -0.040 41.953 42.059 -0.109 0.000 0.903 363 L HN -0.003 nan 8.230 nan 0.000 0.435 364 L N 0.447 121.527 121.223 -0.239 0.000 2.502 364 L HA 0.346 4.694 4.340 0.013 0.000 0.247 364 L C -1.717 174.946 176.870 -0.345 0.000 1.180 364 L CA -1.659 52.928 54.840 -0.421 0.000 0.956 364 L CB 0.022 41.614 42.059 -0.779 0.000 1.282 364 L HN -0.025 nan 8.230 nan 0.000 0.470 365 P HA -0.211 nan 4.420 nan 0.000 0.214 365 P C 1.747 178.835 177.300 -0.354 0.000 1.169 365 P CA 1.348 64.277 63.100 -0.285 0.000 0.908 365 P CB 0.402 31.986 31.700 -0.194 0.000 0.791 366 R N -1.038 119.058 120.500 -0.672 0.000 2.096 366 R HA -0.160 4.188 4.340 0.013 0.000 0.235 366 R C 2.386 178.483 176.300 -0.339 0.000 1.127 366 R CA 1.717 57.536 56.100 -0.467 0.000 0.968 366 R CB -1.410 28.551 30.300 -0.565 0.000 0.861 366 R HN 0.395 nan 8.270 nan 0.000 0.440 367 H N -0.777 118.043 119.070 -0.416 0.000 2.321 367 H HA -0.148 4.416 4.556 0.014 0.000 0.300 367 H C 1.946 177.195 175.328 -0.131 0.000 1.087 367 H CA 1.871 57.772 56.048 -0.244 0.000 1.319 367 H CB -0.225 29.347 29.762 -0.317 0.000 1.379 367 H HN 0.198 nan 8.280 nan 0.000 0.501 368 M N 1.587 121.174 119.600 -0.021 0.000 2.106 368 M HA -0.226 4.262 4.480 0.013 0.000 0.259 368 M C 2.203 178.510 176.300 0.011 0.000 1.068 368 M CA 1.644 56.940 55.300 -0.007 0.000 1.100 368 M CB -0.274 32.307 32.600 -0.030 0.000 1.351 368 M HN 0.195 nan 8.290 nan 0.000 0.404 369 Q N -0.549 119.242 119.800 -0.016 0.000 2.096 369 Q HA -0.176 4.172 4.340 0.013 0.000 0.204 369 Q C 2.122 178.145 176.000 0.039 0.000 0.982 369 Q CA 1.942 57.745 55.803 -0.000 0.000 0.850 369 Q CB -0.376 28.352 28.738 -0.017 0.000 0.901 369 Q HN 0.592 nan 8.270 nan 0.000 0.422 370 I N 0.280 120.897 120.570 0.078 0.000 2.286 370 I HA -0.233 3.945 4.170 0.013 0.000 0.245 370 I C 2.179 178.438 176.117 0.238 0.000 1.104 370 I CA 0.932 62.362 61.300 0.217 0.000 1.397 370 I CB -0.242 37.884 38.000 0.210 0.000 1.072 370 I HN 0.183 nan 8.210 nan 0.000 0.417 371 I N 1.000 121.667 120.570 0.163 0.000 2.264 371 I HA -0.298 3.881 4.170 0.013 0.000 0.248 371 I C 2.247 178.453 176.117 0.148 0.000 1.111 371 I CA 1.168 62.565 61.300 0.162 0.000 1.382 371 I CB -0.550 37.519 38.000 0.115 0.000 1.060 371 I HN 0.325 nan 8.210 nan 0.000 0.418 372 N N 0.729 119.490 118.700 0.103 0.000 2.080 372 N HA -0.217 4.531 4.740 0.013 0.000 0.189 372 N C 1.847 177.388 175.510 0.052 0.000 1.036 372 N CA 1.347 54.447 53.050 0.083 0.000 0.846 372 N CB -0.338 38.176 38.487 0.045 0.000 1.015 372 N HN 0.284 nan 8.380 nan 0.000 0.423 373 E N 1.156 121.334 120.200 -0.037 0.000 2.097 373 E HA -0.080 4.278 4.350 0.013 0.000 0.196 373 E C 1.968 178.488 176.600 -0.133 0.000 1.000 373 E CA 0.967 57.219 56.400 -0.247 0.000 0.804 373 E CB -0.295 29.013 29.700 -0.654 0.000 0.740 373 E HN 0.372 nan 8.360 nan 0.000 0.454 374 I N 0.428 121.066 120.570 0.113 0.000 2.361 374 I HA -0.239 3.939 4.170 0.013 0.000 0.251 374 I C 2.161 178.425 176.117 0.245 0.000 1.133 374 I CA 1.244 62.671 61.300 0.211 0.000 1.413 374 I CB -0.401 37.800 38.000 0.334 0.000 1.073 374 I HN 0.205 nan 8.210 nan 0.000 0.424 375 N N 0.616 119.467 118.700 0.253 0.000 2.216 375 N HA -0.163 4.586 4.740 0.013 0.000 0.183 375 N C 1.885 177.685 175.510 0.484 0.000 1.017 375 N CA 2.041 55.323 53.050 0.386 0.000 0.861 375 N CB -0.027 38.634 38.487 0.290 0.000 0.986 375 N HN 0.391 nan 8.380 nan 0.000 0.428 376 T N -2.600 112.105 114.554 0.253 0.000 2.937 376 T HA 0.073 4.431 4.350 0.013 0.000 0.260 376 T C 2.055 176.799 174.700 0.072 0.000 1.051 376 T CA 0.486 62.677 62.100 0.151 0.000 1.141 376 T CB -0.242 68.645 68.868 0.032 0.000 0.879 376 T HN -0.030 nan 8.240 nan 0.000 0.459 377 R N 0.251 120.773 120.500 0.037 0.000 2.105 377 R HA 0.066 4.414 4.340 0.013 0.000 0.239 377 R C 1.941 178.333 176.300 0.153 0.000 1.135 377 R CA 1.331 57.427 56.100 -0.007 0.000 0.967 377 R CB -1.010 29.220 30.300 -0.117 0.000 0.861 377 R HN 0.496 nan 8.270 nan 0.000 0.442 378 F N 1.110 121.143 119.950 0.140 0.000 2.259 378 F HA -0.003 4.532 4.527 0.013 0.000 0.298 378 F C 1.890 177.802 175.800 0.187 0.000 1.088 378 F CA 1.226 59.397 58.000 0.285 0.000 1.358 378 F CB -0.224 39.061 39.000 0.475 0.000 1.040 378 F HN -0.074 nan 8.300 nan 0.000 0.505 379 K N -0.236 120.104 120.400 -0.101 0.000 2.063 379 K HA -0.186 4.142 4.320 0.013 0.000 0.208 379 K C 1.936 178.198 176.600 -0.563 0.000 1.048 379 K CA 2.094 57.865 56.287 -0.859 0.000 0.928 379 K CB -0.404 31.698 32.500 -0.663 0.000 0.713 379 K HN 0.248 nan 8.250 nan 0.000 0.442 380 T N 1.946 116.338 114.554 -0.270 0.000 2.635 380 T HA -0.203 4.155 4.350 0.013 0.000 0.267 380 T C 1.677 176.277 174.700 -0.165 0.000 1.040 380 T CA 1.546 63.537 62.100 -0.183 0.000 1.156 380 T CB -0.297 68.519 68.868 -0.086 0.000 0.863 380 T HN 0.174 nan 8.240 nan 0.000 0.430 381 L N 1.193 122.353 121.223 -0.104 0.000 2.017 381 L HA -0.038 4.310 4.340 0.013 0.000 0.208 381 L C 2.511 179.284 176.870 -0.162 0.000 1.073 381 L CA 1.525 56.334 54.840 -0.052 0.000 0.745 381 L CB -0.877 41.285 42.059 0.171 0.000 0.894 381 L HN 0.092 nan 8.230 nan 0.000 0.432 382 V N -0.188 119.530 119.914 -0.326 0.000 2.332 382 V HA -0.310 3.818 4.120 0.013 0.000 0.248 382 V C 2.524 178.571 176.094 -0.078 0.000 1.055 382 V CA 2.120 64.325 62.300 -0.158 0.000 1.038 382 V CB -0.631 31.031 31.823 -0.268 0.000 0.651 382 V HN 0.520 nan 8.190 nan 0.000 0.450 383 E N -0.162 119.891 120.200 -0.245 0.000 2.047 383 E HA -0.246 4.112 4.350 0.013 0.000 0.191 383 E C 2.315 178.837 176.600 -0.130 0.000 0.987 383 E CA 1.206 57.494 56.400 -0.186 0.000 0.799 383 E CB -0.208 29.339 29.700 -0.255 0.000 0.752 383 E HN 0.485 nan 8.360 nan 0.000 0.449 384 K N 0.446 120.758 120.400 -0.147 0.000 2.152 384 K HA -0.158 4.170 4.320 0.013 0.000 0.206 384 K C 1.734 178.225 176.600 -0.182 0.000 1.048 384 K CA 1.587 57.793 56.287 -0.135 0.000 0.933 384 K CB 0.076 32.509 32.500 -0.112 0.000 0.721 384 K HN 0.073 nan 8.250 nan 0.000 0.447 385 T N -0.310 114.092 114.554 -0.253 0.000 2.837 385 T HA -0.029 4.329 4.350 0.013 0.000 0.242 385 T C 0.287 174.716 174.700 -0.451 0.000 1.044 385 T CA 0.590 62.385 62.100 -0.508 0.000 1.202 385 T CB -0.071 68.225 68.868 -0.954 0.000 0.905 385 T HN 0.253 nan 8.240 nan 0.000 0.413 386 W N 2.374 123.607 121.300 -0.113 0.000 2.253 386 W HA 0.329 4.997 4.660 0.013 0.000 0.348 386 W C -2.506 173.950 176.519 -0.104 0.000 0.920 386 W CA -2.396 54.892 57.345 -0.095 0.000 1.518 386 W CB -0.133 29.275 29.460 -0.086 0.000 1.446 386 W HN 0.361 nan 8.180 nan 0.000 0.361 387 P HA -0.118 nan 4.420 nan 0.000 0.226 387 P C 1.363 178.674 177.300 0.018 0.000 1.146 387 P CA 0.968 64.069 63.100 0.002 0.000 0.773 387 P CB 0.309 31.995 31.700 -0.024 0.000 0.772 388 G N 1.508 110.347 108.800 0.066 0.000 2.340 388 G HA2 0.092 4.060 3.960 0.013 0.000 0.245 388 G HA3 0.092 4.060 3.960 0.013 0.000 0.245 388 G C -0.108 174.804 174.900 0.020 0.000 1.294 388 G CA -0.390 44.735 45.100 0.042 0.000 0.896 388 G HN 0.130 nan 8.290 nan 0.000 0.522 389 D N 1.684 122.085 120.400 0.002 0.000 2.406 389 D HA -0.062 4.586 4.640 0.013 0.000 0.234 389 D C 0.960 177.265 176.300 0.009 0.000 1.196 389 D CA 0.164 54.165 54.000 0.001 0.000 0.881 389 D CB 0.486 41.285 40.800 -0.001 0.000 1.205 389 D HN 0.661 nan 8.370 nan 0.000 0.453 390 E N 0.701 120.925 120.200 0.039 0.000 3.630 390 E HA -0.523 3.835 4.350 0.013 0.000 0.441 390 E C 0.825 177.420 176.600 -0.009 0.000 1.645 390 E CA 2.584 59.014 56.400 0.050 0.000 1.596 390 E CB -0.233 29.477 29.700 0.017 0.000 1.453 390 E HN 0.574 nan 8.360 nan 0.000 0.400 391 K N -1.643 118.719 120.400 -0.063 0.000 7.912 391 K HA -0.332 3.996 4.320 0.013 0.000 0.411 391 K C 1.640 178.128 176.600 -0.186 0.000 0.571 391 K CA 2.934 59.149 56.287 -0.120 0.000 1.414 391 K CB -1.813 30.618 32.500 -0.115 0.000 0.802 391 K HN 0.331 nan 8.250 nan 0.000 1.004 392 V N -0.189 119.587 119.914 -0.229 0.000 2.255 392 V HA -0.273 3.855 4.120 0.013 0.000 0.247 392 V C 2.089 178.047 176.094 -0.226 0.000 1.051 392 V CA 2.384 64.465 62.300 -0.364 0.000 1.018 392 V CB -0.608 30.835 31.823 -0.633 0.000 0.641 392 V HN 0.522 nan 8.190 nan 0.000 0.445 393 W N 0.926 122.051 121.300 -0.291 0.000 2.335 393 W HA -0.220 4.447 4.660 0.012 0.000 0.311 393 W C 2.267 178.610 176.519 -0.294 0.000 1.213 393 W CA 1.400 58.607 57.345 -0.229 0.000 1.274 393 W CB -0.089 29.278 29.460 -0.155 0.000 1.148 393 W HN 0.292 nan 8.180 nan 0.000 0.498 394 A N 0.275 122.867 122.820 -0.379 0.000 2.248 394 A HA -0.158 4.170 4.320 0.013 0.000 0.210 394 A C 1.801 178.819 177.584 -0.943 0.000 1.174 394 A CA 1.736 53.376 52.037 -0.661 0.000 0.750 394 A CB -0.560 18.251 19.000 -0.316 0.000 0.780 394 A HN 0.448 nan 8.150 nan 0.000 0.478 395 K N -1.004 118.992 120.400 -0.672 0.000 2.325 395 K HA 0.307 4.635 4.320 0.013 0.000 0.203 395 K C 1.305 177.709 176.600 -0.326 0.000 1.128 395 K CA 0.115 56.118 56.287 -0.473 0.000 0.931 395 K CB 0.046 32.361 32.500 -0.309 0.000 1.125 395 K HN 0.366 nan 8.250 nan 0.000 0.487 396 L N 1.517 122.566 121.223 -0.289 0.000 2.509 396 L HA 0.273 4.621 4.340 0.013 0.000 0.222 396 L C 0.813 177.856 176.870 0.289 0.000 1.123 396 L CA -0.295 54.538 54.840 -0.011 0.000 0.856 396 L CB -0.036 42.022 42.059 -0.001 0.000 0.985 396 L HN 0.102 nan 8.230 nan 0.000 0.456 397 A N 0.257 122.880 122.820 -0.328 0.000 2.498 397 A HA 0.224 4.552 4.320 0.013 0.000 0.239 397 A C 1.340 178.975 177.584 0.085 0.000 1.068 397 A CA -0.188 51.522 52.037 -0.545 0.000 0.766 397 A CB 0.617 18.700 19.000 -1.529 0.000 1.003 397 A HN -0.020 nan 8.150 nan 0.000 0.497 398 V N 2.441 122.438 119.914 0.140 0.000 2.229 398 V HA -0.115 4.013 4.120 0.013 0.000 0.243 398 V C 0.944 177.095 176.094 0.094 0.000 1.042 398 V CA 1.619 64.004 62.300 0.142 0.000 1.000 398 V CB -0.595 31.332 31.823 0.173 0.000 0.637 398 V HN 0.580 nan 8.190 nan 0.000 0.446 399 V N 3.152 123.124 119.914 0.098 0.000 2.333 399 V HA 0.424 4.552 4.120 0.013 0.000 0.274 399 V C -0.407 175.722 176.094 0.059 0.000 1.028 399 V CA -0.372 61.987 62.300 0.098 0.000 0.851 399 V CB 0.304 32.198 31.823 0.118 0.000 1.000 399 V HN 0.758 nan 8.190 nan 0.000 0.456 400 H N 2.437 121.525 119.070 0.029 0.000 3.029 400 H HA 0.378 4.942 4.556 0.014 0.000 0.358 400 H C -0.991 174.395 175.328 0.096 0.000 1.129 400 H CA -0.846 55.158 56.048 -0.074 0.000 1.230 400 H CB 1.931 31.478 29.762 -0.358 0.000 1.827 400 H HN 0.672 nan 8.280 nan 0.000 0.530 401 D N 2.947 123.459 120.400 0.187 0.000 2.737 401 D HA -0.159 4.489 4.640 0.013 0.000 0.243 401 D C -0.303 176.061 176.300 0.107 0.000 1.109 401 D CA 0.869 54.957 54.000 0.146 0.000 0.702 401 D CB -0.826 40.087 40.800 0.187 0.000 1.068 401 D HN 0.833 nan 8.370 nan 0.000 0.432 402 K N -0.727 119.725 120.400 0.087 0.000 3.012 402 K HA -0.275 4.053 4.320 0.013 0.000 0.259 402 K C 0.159 176.778 176.600 0.031 0.000 0.989 402 K CA 1.186 57.508 56.287 0.057 0.000 0.728 402 K CB -0.636 31.892 32.500 0.045 0.000 1.260 402 K HN 0.558 nan 8.250 nan 0.000 0.480 403 Q N -0.824 118.990 119.800 0.023 0.000 2.435 403 Q HA 0.402 4.750 4.340 0.013 0.000 0.282 403 Q C -1.141 174.798 176.000 -0.101 0.000 1.020 403 Q CA -0.977 54.770 55.803 -0.092 0.000 0.820 403 Q CB 2.781 31.352 28.738 -0.278 0.000 1.436 403 Q HN 0.019 nan 8.270 nan 0.000 0.395 404 V N 1.732 121.581 119.914 -0.108 0.000 2.394 404 V HA 0.285 4.413 4.120 0.013 0.000 0.282 404 V C -0.501 175.496 176.094 -0.161 0.000 1.031 404 V CA -0.566 61.736 62.300 0.003 0.000 0.881 404 V CB 0.921 32.803 31.823 0.098 0.000 0.982 404 V HN 0.656 nan 8.190 nan 0.000 0.451 405 H N 6.312 125.321 119.070 -0.101 0.000 2.685 405 H HA 0.278 4.842 4.556 0.013 0.000 0.286 405 H C 0.579 175.888 175.328 -0.031 0.000 1.102 405 H CA -0.742 55.249 56.048 -0.095 0.000 1.254 405 H CB 1.297 30.965 29.762 -0.157 0.000 1.397 405 H HN 0.564 nan 8.280 nan 0.000 0.473 406 M N 1.593 121.213 119.600 0.034 0.000 2.073 406 M HA -0.181 4.307 4.480 0.013 0.000 0.258 406 M C 2.561 178.796 176.300 -0.109 0.000 1.070 406 M CA 1.475 56.776 55.300 0.003 0.000 1.103 406 M CB -1.062 31.567 32.600 0.048 0.000 1.321 406 M HN 0.650 nan 8.290 nan 0.000 0.405 407 A N 1.293 124.059 122.820 -0.090 0.000 1.884 407 A HA -0.252 4.076 4.320 0.013 0.000 0.219 407 A C 2.013 179.454 177.584 -0.239 0.000 1.197 407 A CA 2.349 54.264 52.037 -0.203 0.000 0.637 407 A CB -1.042 18.062 19.000 0.172 0.000 0.827 407 A HN 0.539 nan 8.150 nan 0.000 0.450 408 N N -0.325 118.388 118.700 0.022 0.000 2.061 408 N HA -0.162 4.587 4.740 0.013 0.000 0.193 408 N C 1.549 176.955 175.510 -0.174 0.000 1.030 408 N CA 1.592 54.661 53.050 0.032 0.000 0.856 408 N CB -0.703 37.944 38.487 0.267 0.000 1.023 408 N HN 0.384 nan 8.380 nan 0.000 0.424 409 L N 1.059 122.215 121.223 -0.110 0.000 2.079 409 L HA -0.120 4.228 4.340 0.013 0.000 0.210 409 L C 2.178 178.897 176.870 -0.251 0.000 1.081 409 L CA 1.373 56.141 54.840 -0.120 0.000 0.752 409 L CB -0.843 41.188 42.059 -0.047 0.000 0.896 409 L HN 0.195 nan 8.230 nan 0.000 0.433 410 C N -2.031 117.034 119.300 -0.391 0.000 2.432 410 C HA -0.120 4.348 4.460 0.013 0.000 0.277 410 C C 2.711 177.406 174.990 -0.492 0.000 1.249 410 C CA 0.866 59.583 59.018 -0.501 0.000 1.725 410 C CB -0.872 26.332 27.740 -0.894 0.000 2.028 410 C HN 0.452 nan 8.230 nan 0.000 0.477 411 V N 0.834 120.385 119.914 -0.606 0.000 2.427 411 V HA -0.150 3.978 4.120 0.013 0.000 0.248 411 V C 2.291 178.017 176.094 -0.613 0.000 1.051 411 V CA 1.944 63.845 62.300 -0.665 0.000 1.048 411 V CB -0.638 30.596 31.823 -0.981 0.000 0.666 411 V HN 0.487 nan 8.190 nan 0.000 0.456 412 V N 0.716 120.342 119.914 -0.480 0.000 2.649 412 V HA 0.045 4.173 4.120 0.013 0.000 0.248 412 V C 2.549 178.531 176.094 -0.186 0.000 1.054 412 V CA 1.691 63.769 62.300 -0.370 0.000 1.073 412 V CB -0.975 30.689 31.823 -0.266 0.000 0.699 412 V HN 0.561 nan 8.190 nan 0.000 0.463 413 G N 0.082 108.777 108.800 -0.175 0.000 2.430 413 G HA2 0.144 4.112 3.960 0.013 0.000 0.216 413 G HA3 0.144 4.112 3.960 0.013 0.000 0.216 413 G C 0.808 175.517 174.900 -0.318 0.000 1.146 413 G CA 0.738 45.711 45.100 -0.212 0.000 0.793 413 G HN 0.627 nan 8.290 nan 0.000 0.537 414 G N -0.649 107.962 108.800 -0.314 0.000 2.462 414 G HA2 0.431 4.399 3.960 0.013 0.000 0.319 414 G HA3 0.431 4.399 3.960 0.013 0.000 0.319 414 G C 0.439 175.129 174.900 -0.350 0.000 1.171 414 G CA -0.395 44.525 45.100 -0.300 0.000 0.920 414 G HN 0.218 nan 8.290 nan 0.000 0.499 415 F N -0.510 119.348 119.950 -0.154 0.000 2.615 415 F HA 0.614 5.149 4.527 0.013 0.000 0.297 415 F C 0.790 176.535 175.800 -0.091 0.000 1.124 415 F CA -0.451 57.463 58.000 -0.144 0.000 1.451 415 F CB -0.157 38.792 39.000 -0.086 0.000 1.103 415 F HN 0.512 nan 8.300 nan 0.000 0.569 416 A N 0.105 122.632 122.820 -0.488 0.000 2.527 416 A HA 0.828 5.157 4.320 0.013 0.000 0.293 416 A C -1.337 176.069 177.584 -0.296 0.000 1.117 416 A CA -0.681 51.240 52.037 -0.193 0.000 0.723 416 A CB 1.678 20.636 19.000 -0.071 0.000 1.313 416 A HN 0.051 nan 8.150 nan 0.000 0.411 417 V N 2.030 121.808 119.914 -0.228 0.000 3.012 417 V HA 0.653 4.781 4.120 0.013 0.000 0.307 417 V C -1.121 174.886 176.094 -0.145 0.000 1.166 417 V CA -0.607 61.496 62.300 -0.328 0.000 0.974 417 V CB 2.282 33.662 31.823 -0.739 0.000 1.040 417 V HN 1.234 nan 8.190 nan 0.000 0.428 418 N N 1.503 120.118 118.700 -0.142 0.000 2.961 418 N HA 0.544 5.292 4.740 0.013 0.000 0.245 418 N C -0.637 174.839 175.510 -0.057 0.000 1.404 418 N CA -0.243 52.779 53.050 -0.046 0.000 0.880 418 N CB 2.265 40.712 38.487 -0.066 0.000 1.461 418 N HN 0.800 nan 8.380 nan 0.000 0.510 419 G N -1.034 107.763 108.800 -0.005 0.000 2.705 419 G HA2 0.507 4.475 3.960 0.013 0.000 0.299 419 G HA3 0.507 4.475 3.960 0.013 0.000 0.299 419 G C 0.625 175.592 174.900 0.113 0.000 1.315 419 G CA -0.284 44.876 45.100 0.101 0.000 1.045 419 G HN 0.774 nan 8.290 nan 0.000 0.517 420 V N -3.822 116.227 119.914 0.226 0.000 3.483 420 V HA 0.689 4.817 4.120 0.013 0.000 0.301 420 V C 0.510 176.651 176.094 0.078 0.000 1.389 420 V CA 0.330 62.667 62.300 0.060 0.000 1.101 420 V CB -0.538 31.229 31.823 -0.094 0.000 0.971 420 V HN 1.410 nan 8.190 nan 0.000 0.434 421 A N -0.509 122.387 122.820 0.126 0.000 2.532 421 A HA 0.824 5.152 4.320 0.013 0.000 0.296 421 A C 0.807 178.449 177.584 0.097 0.000 1.058 421 A CA 0.032 52.129 52.037 0.100 0.000 0.729 421 A CB 1.107 20.153 19.000 0.076 0.000 1.285 421 A HN 0.986 nan 8.150 nan 0.000 0.396 422 A N 1.533 124.392 122.820 0.065 0.000 2.009 422 A HA -0.090 4.238 4.320 0.013 0.000 0.222 422 A C 1.755 179.359 177.584 0.034 0.000 1.175 422 A CA 2.201 54.261 52.037 0.039 0.000 0.651 422 A CB -0.617 18.401 19.000 0.031 0.000 0.815 422 A HN 0.895 nan 8.150 nan 0.000 0.459 423 L N -1.096 120.156 121.223 0.048 0.000 1.961 423 L HA -0.151 4.197 4.340 0.013 0.000 0.209 423 L C 2.448 179.348 176.870 0.051 0.000 1.075 423 L CA 2.526 57.389 54.840 0.038 0.000 0.749 423 L CB -2.179 39.902 42.059 0.037 0.000 0.890 423 L HN 0.699 nan 8.230 nan 0.000 0.433 424 H N 0.332 119.392 119.070 -0.017 0.000 2.357 424 H HA -0.166 4.398 4.556 0.013 0.000 0.296 424 H C 2.336 177.665 175.328 0.002 0.000 1.108 424 H CA 2.092 58.129 56.048 -0.018 0.000 1.273 424 H CB 0.049 29.796 29.762 -0.025 0.000 1.367 424 H HN 0.196 nan 8.280 nan 0.000 0.498 425 S N -0.562 115.079 115.700 -0.097 0.000 2.368 425 S HA -0.171 4.307 4.470 0.013 0.000 0.225 425 S C 1.831 176.376 174.600 -0.092 0.000 1.030 425 S CA 1.309 59.435 58.200 -0.124 0.000 0.999 425 S CB -0.383 62.809 63.200 -0.014 0.000 0.844 425 S HN 0.649 nan 8.310 nan 0.000 0.459 426 D N 1.043 121.404 120.400 -0.065 0.000 2.104 426 D HA -0.100 4.548 4.640 0.013 0.000 0.194 426 D C 1.774 178.022 176.300 -0.087 0.000 0.994 426 D CA 1.031 54.990 54.000 -0.069 0.000 0.830 426 D CB -0.243 40.529 40.800 -0.046 0.000 0.959 426 D HN 0.188 nan 8.370 nan 0.000 0.452 427 L N -0.145 121.023 121.223 -0.091 0.000 1.989 427 L HA -0.186 4.162 4.340 0.013 0.000 0.211 427 L C 2.731 179.530 176.870 -0.119 0.000 1.071 427 L CA 1.013 55.795 54.840 -0.097 0.000 0.749 427 L CB -0.907 41.103 42.059 -0.082 0.000 0.890 427 L HN 0.013 nan 8.230 nan 0.000 0.431 428 V N -0.661 119.153 119.914 -0.166 0.000 2.277 428 V HA -0.350 3.778 4.120 0.013 0.000 0.253 428 V C 2.363 178.513 176.094 0.093 0.000 1.067 428 V CA 2.061 64.322 62.300 -0.065 0.000 1.047 428 V CB -0.606 31.196 31.823 -0.034 0.000 0.649 428 V HN 0.310 nan 8.190 nan 0.000 0.447 429 V N 0.503 120.432 119.914 0.025 0.000 2.548 429 V HA -0.158 3.970 4.120 0.013 0.000 0.249 429 V C 2.058 178.067 176.094 -0.140 0.000 1.055 429 V CA 2.150 64.386 62.300 -0.106 0.000 1.065 429 V CB -0.651 30.968 31.823 -0.339 0.000 0.681 429 V HN 0.802 nan 8.190 nan 0.000 0.462 430 K N -1.353 118.982 120.400 -0.107 0.000 2.358 430 K HA 0.213 4.541 4.320 0.013 0.000 0.200 430 K C 0.379 176.933 176.600 -0.076 0.000 1.030 430 K CA 0.438 56.675 56.287 -0.083 0.000 1.097 430 K CB 0.518 32.973 32.500 -0.075 0.000 0.862 430 K HN 0.278 nan 8.250 nan 0.000 0.534 431 D N 0.277 120.618 120.400 -0.099 0.000 2.461 431 D HA 0.190 4.838 4.640 0.013 0.000 0.266 431 D C 1.502 177.695 176.300 -0.178 0.000 1.085 431 D CA 0.164 54.095 54.000 -0.116 0.000 0.887 431 D CB 0.551 41.288 40.800 -0.105 0.000 1.309 431 D HN 0.029 nan 8.370 nan 0.000 0.498 432 L N -0.979 120.067 121.223 -0.294 0.000 2.433 432 L HA 0.238 4.586 4.340 0.013 0.000 0.200 432 L C 0.037 176.535 176.870 -0.620 0.000 1.059 432 L CA 0.554 55.020 54.840 -0.623 0.000 0.835 432 L CB 0.467 41.865 42.059 -1.102 0.000 1.076 432 L HN -0.096 nan 8.230 nan 0.000 0.481 433 F N -0.225 119.891 119.950 0.277 0.000 2.679 433 F HA 0.319 4.854 4.527 0.014 0.000 0.354 433 F C -1.728 174.179 175.800 0.179 0.000 1.423 433 F CA -2.049 56.219 58.000 0.447 0.000 1.141 433 F CB -0.359 39.168 39.000 0.879 0.000 1.168 433 F HN -0.120 nan 8.300 nan 0.000 0.530 434 P HA -0.155 nan 4.420 nan 0.000 0.216 434 P C 1.043 178.403 177.300 0.099 0.000 1.153 434 P CA 1.701 64.837 63.100 0.059 0.000 0.844 434 P CB 0.419 32.118 31.700 -0.001 0.000 0.787 435 E N -0.446 119.777 120.200 0.039 0.000 2.072 435 E HA -0.183 4.175 4.350 0.013 0.000 0.191 435 E C 2.324 179.042 176.600 0.196 0.000 0.985 435 E CA 1.154 57.579 56.400 0.042 0.000 0.801 435 E CB -1.336 28.141 29.700 -0.371 0.000 0.750 435 E HN 0.304 nan 8.360 nan 0.000 0.452 436 Y N 1.335 121.788 120.300 0.255 0.000 2.165 436 Y HA -0.219 4.339 4.550 0.013 0.000 0.286 436 Y C 2.569 178.596 175.900 0.211 0.000 1.155 436 Y CA 1.341 59.643 58.100 0.338 0.000 1.164 436 Y CB -0.898 38.024 38.460 0.770 0.000 0.978 436 Y HN 0.348 nan 8.280 nan 0.000 0.513 437 H N 0.039 119.081 119.070 -0.047 0.000 2.387 437 H HA -0.191 4.373 4.556 0.013 0.000 0.299 437 H C 2.154 177.425 175.328 -0.095 0.000 1.090 437 H CA 1.654 57.406 56.048 -0.493 0.000 1.332 437 H CB 0.032 29.339 29.762 -0.759 0.000 1.386 437 H HN 0.452 nan 8.280 nan 0.000 0.516 438 Q N 0.406 120.138 119.800 -0.113 0.000 2.124 438 Q HA -0.116 4.232 4.340 0.013 0.000 0.202 438 Q C 2.547 178.434 176.000 -0.188 0.000 0.977 438 Q CA 1.232 56.963 55.803 -0.120 0.000 0.850 438 Q CB 0.172 28.980 28.738 0.116 0.000 0.901 438 Q HN 0.514 nan 8.270 nan 0.000 0.429 439 L N -0.987 120.109 121.223 -0.212 0.000 2.068 439 L HA -0.064 4.284 4.340 0.013 0.000 0.204 439 L C 0.649 177.279 176.870 -0.400 0.000 1.076 439 L CA 0.484 55.027 54.840 -0.495 0.000 0.753 439 L CB -0.061 41.407 42.059 -0.984 0.000 0.910 439 L HN 0.301 nan 8.230 nan 0.000 0.439 440 W N 0.571 122.003 121.300 0.219 0.000 2.319 440 W HA 0.312 4.980 4.660 0.014 0.000 0.288 440 W C -1.927 174.704 176.519 0.186 0.000 0.959 440 W CA -2.096 55.394 57.345 0.243 0.000 1.784 440 W CB -0.354 29.335 29.460 0.381 0.000 1.848 440 W HN -0.017 nan 8.180 nan 0.000 0.408 441 P HA -0.154 nan 4.420 nan 0.000 0.226 441 P C 0.479 177.894 177.300 0.192 0.000 1.153 441 P CA 1.507 64.448 63.100 -0.266 0.000 0.777 441 P CB 0.421 31.944 31.700 -0.295 0.000 0.794 442 N N -0.281 118.565 118.700 0.244 0.000 2.356 442 N HA 0.029 4.777 4.740 0.013 0.000 0.178 442 N C 1.829 177.426 175.510 0.145 0.000 1.075 442 N CA -0.135 53.020 53.050 0.175 0.000 0.889 442 N CB -0.109 38.468 38.487 0.151 0.000 0.999 442 N HN 0.126 nan 8.380 nan 0.000 0.464 443 K N 0.925 121.534 120.400 0.349 0.000 2.148 443 K HA -0.040 4.288 4.320 0.013 0.000 0.204 443 K C -0.473 176.127 176.600 0.001 0.000 1.050 443 K CA 0.760 57.182 56.287 0.224 0.000 0.942 443 K CB 0.033 32.669 32.500 0.225 0.000 0.724 443 K HN -0.039 nan 8.250 nan 0.000 0.446 444 F N 1.687 121.641 119.950 0.007 0.000 2.438 444 F HA 0.245 4.780 4.527 0.014 0.000 0.356 444 F C 0.837 176.471 175.800 -0.277 0.000 1.099 444 F CA -0.288 57.702 58.000 -0.016 0.000 1.185 444 F CB 0.596 39.671 39.000 0.125 0.000 1.115 444 F HN 0.045 nan 8.300 nan 0.000 0.526 445 H N 1.281 120.408 119.070 0.096 0.000 3.043 445 H HA 0.424 4.988 4.556 0.013 0.000 0.302 445 H C -0.971 174.336 175.328 -0.035 0.000 1.506 445 H CA -1.070 54.986 56.048 0.015 0.000 1.282 445 H CB 2.409 32.130 29.762 -0.067 0.000 1.914 445 H HN 0.470 nan 8.280 nan 0.000 0.625 446 N N 0.351 119.093 118.700 0.071 0.000 2.308 446 N HA 0.293 5.041 4.740 0.013 0.000 0.283 446 N C -1.986 173.442 175.510 -0.136 0.000 1.105 446 N CA -0.287 52.749 53.050 -0.024 0.000 0.840 446 N CB 2.691 41.178 38.487 -0.000 0.000 1.633 446 N HN 0.266 nan 8.380 nan 0.000 0.476 447 V N 2.205 122.007 119.914 -0.187 0.000 2.637 447 V HA 0.182 4.310 4.120 0.013 0.000 0.274 447 V C -0.010 176.039 176.094 -0.074 0.000 1.004 447 V CA -0.697 61.427 62.300 -0.293 0.000 0.894 447 V CB 1.063 32.363 31.823 -0.870 0.000 1.046 447 V HN 0.672 nan 8.190 nan 0.000 0.467 448 T N 4.268 118.829 114.554 0.011 0.000 2.934 448 T HA 0.108 4.466 4.350 0.013 0.000 0.306 448 T C 0.557 175.380 174.700 0.206 0.000 1.042 448 T CA 0.289 62.456 62.100 0.113 0.000 1.145 448 T CB 0.155 69.108 68.868 0.142 0.000 0.982 448 T HN 0.591 nan 8.240 nan 0.000 0.544 449 N N 1.133 119.974 118.700 0.235 0.000 2.444 449 N HA 0.545 5.293 4.740 0.013 0.000 0.255 449 N C 0.456 176.151 175.510 0.308 0.000 1.255 449 N CA -0.130 53.109 53.050 0.316 0.000 0.933 449 N CB 0.938 39.530 38.487 0.175 0.000 1.143 449 N HN 0.839 nan 8.380 nan 0.000 0.453 450 G N -1.033 107.973 108.800 0.343 0.000 2.708 450 G HA2 0.665 4.633 3.960 0.013 0.000 0.289 450 G HA3 0.665 4.633 3.960 0.013 0.000 0.289 450 G C -0.843 174.187 174.900 0.217 0.000 1.416 450 G CA -0.698 44.582 45.100 0.300 0.000 0.829 450 G HN 0.577 nan 8.290 nan 0.000 0.480 451 I N -2.618 118.071 120.570 0.198 0.000 3.023 451 I HA 0.818 4.996 4.170 0.013 0.000 0.312 451 I C -0.270 176.018 176.117 0.285 0.000 1.056 451 I CA -0.914 60.502 61.300 0.193 0.000 1.033 451 I CB 2.502 40.540 38.000 0.063 0.000 1.233 451 I HN 0.445 nan 8.210 nan 0.000 0.462 452 T N 3.321 118.102 114.554 0.379 0.000 2.733 452 T HA 0.398 4.756 4.350 0.013 0.000 0.294 452 T C -1.423 173.413 174.700 0.226 0.000 0.956 452 T CA -1.934 60.312 62.100 0.243 0.000 0.987 452 T CB 0.856 69.812 68.868 0.147 0.000 0.920 452 T HN 0.579 nan 8.240 nan 0.000 0.470 453 P HA -0.129 nan 4.420 nan 0.000 0.220 453 P C 1.227 178.570 177.300 0.072 0.000 1.144 453 P CA 0.779 63.990 63.100 0.185 0.000 0.800 453 P CB 0.372 32.184 31.700 0.187 0.000 0.772 454 R N 0.273 120.715 120.500 -0.096 0.000 2.109 454 R HA -0.095 4.253 4.340 0.013 0.000 0.227 454 R C 2.743 178.959 176.300 -0.140 0.000 1.132 454 R CA 1.910 57.901 56.100 -0.181 0.000 0.907 454 R CB -1.438 28.749 30.300 -0.188 0.000 0.825 454 R HN 0.121 nan 8.270 nan 0.000 0.432 455 R N -0.555 119.800 120.500 -0.242 0.000 2.062 455 R HA -0.133 4.215 4.340 0.013 0.000 0.231 455 R C 1.867 177.906 176.300 -0.435 0.000 1.136 455 R CA 1.868 57.693 56.100 -0.460 0.000 0.948 455 R CB -0.456 29.366 30.300 -0.797 0.000 0.845 455 R HN 0.325 nan 8.270 nan 0.000 0.430 456 W N -0.056 121.255 121.300 0.019 0.000 2.848 456 W HA 0.096 4.764 4.660 0.013 0.000 0.241 456 W C 1.312 177.860 176.519 0.049 0.000 1.289 456 W CA -0.082 57.281 57.345 0.031 0.000 1.396 456 W CB 0.180 29.662 29.460 0.036 0.000 1.138 456 W HN 0.204 nan 8.180 nan 0.000 0.677 457 I N -2.088 118.619 120.570 0.228 0.000 3.557 457 I HA -0.042 4.136 4.170 0.013 0.000 0.259 457 I C 2.096 178.334 176.117 0.201 0.000 1.108 457 I CA -0.200 61.228 61.300 0.213 0.000 1.536 457 I CB -0.337 37.833 38.000 0.283 0.000 1.727 457 I HN -0.421 nan 8.210 nan 0.000 0.408 458 K N 1.243 121.805 120.400 0.271 0.000 2.074 458 K HA -0.281 4.048 4.320 0.013 0.000 0.209 458 K C 2.081 178.696 176.600 0.025 0.000 1.048 458 K CA 2.303 58.704 56.287 0.190 0.000 0.926 458 K CB 0.027 32.528 32.500 0.001 0.000 0.713 458 K HN 0.274 nan 8.250 nan 0.000 0.444 459 Q N -0.067 119.705 119.800 -0.047 0.000 2.013 459 Q HA -0.135 4.213 4.340 0.013 0.000 0.195 459 Q C 2.491 178.434 176.000 -0.095 0.000 0.974 459 Q CA 1.740 57.475 55.803 -0.113 0.000 0.826 459 Q CB -0.139 28.495 28.738 -0.174 0.000 0.895 459 Q HN 0.612 nan 8.270 nan 0.000 0.448 460 C N 0.375 119.623 119.300 -0.087 0.000 2.429 460 C HA 0.056 4.524 4.460 0.013 0.000 0.277 460 C C 1.411 176.395 174.990 -0.010 0.000 1.262 460 C CA 0.185 59.176 59.018 -0.044 0.000 1.733 460 C CB -1.112 26.635 27.740 0.011 0.000 2.010 460 C HN 0.419 nan 8.230 nan 0.000 0.483 461 N N 2.029 120.738 118.700 0.014 0.000 3.044 461 N HA 0.273 5.021 4.740 0.013 0.000 0.254 461 N C -1.302 174.204 175.510 -0.007 0.000 1.253 461 N CA -1.951 51.097 53.050 -0.003 0.000 0.944 461 N CB 0.700 39.186 38.487 -0.001 0.000 1.217 461 N HN 0.383 nan 8.380 nan 0.000 0.498 462 P HA -0.141 nan 4.420 nan 0.000 0.215 462 P C 1.011 178.303 177.300 -0.014 0.000 1.157 462 P CA 1.088 64.175 63.100 -0.022 0.000 0.868 462 P CB 0.402 32.070 31.700 -0.053 0.000 0.788 463 A N -0.212 122.584 122.820 -0.040 0.000 1.898 463 A HA -0.133 4.195 4.320 0.013 0.000 0.216 463 A C 2.329 179.864 177.584 -0.081 0.000 1.181 463 A CA 1.435 53.439 52.037 -0.055 0.000 0.620 463 A CB -1.666 17.290 19.000 -0.073 0.000 0.819 463 A HN 0.192 nan 8.150 nan 0.000 0.442 464 L N -0.194 120.958 121.223 -0.118 0.000 2.046 464 L HA -0.081 4.267 4.340 0.013 0.000 0.208 464 L C 2.690 179.480 176.870 -0.134 0.000 1.077 464 L CA 2.118 56.850 54.840 -0.180 0.000 0.747 464 L CB -0.613 41.314 42.059 -0.220 0.000 0.896 464 L HN 0.343 nan 8.230 nan 0.000 0.432 465 A N -0.417 122.383 122.820 -0.033 0.000 1.908 465 A HA -0.187 4.141 4.320 0.013 0.000 0.218 465 A C 2.461 180.152 177.584 0.179 0.000 1.181 465 A CA 1.997 54.122 52.037 0.146 0.000 0.627 465 A CB -1.225 17.995 19.000 0.367 0.000 0.818 465 A HN 0.595 nan 8.150 nan 0.000 0.445 466 A N -0.681 122.195 122.820 0.093 0.000 1.877 466 A HA -0.042 4.286 4.320 0.013 0.000 0.216 466 A C 2.123 179.741 177.584 0.057 0.000 1.186 466 A CA 1.763 53.849 52.037 0.081 0.000 0.620 466 A CB -0.618 18.402 19.000 0.033 0.000 0.822 466 A HN 0.678 nan 8.150 nan 0.000 0.443 467 L N -0.318 120.902 121.223 -0.006 0.000 2.083 467 L HA -0.080 4.268 4.340 0.013 0.000 0.209 467 L C 2.201 179.099 176.870 0.045 0.000 1.083 467 L CA 1.384 56.217 54.840 -0.011 0.000 0.752 467 L CB -0.429 41.560 42.059 -0.117 0.000 0.899 467 L HN 0.336 nan 8.230 nan 0.000 0.433 468 L N -0.801 120.399 121.223 -0.038 0.000 1.994 468 L HA -0.219 4.129 4.340 0.013 0.000 0.208 468 L C 2.313 179.214 176.870 0.050 0.000 1.071 468 L CA 1.837 56.583 54.840 -0.157 0.000 0.745 468 L CB -1.162 40.453 42.059 -0.739 0.000 0.892 468 L HN 0.313 nan 8.230 nan 0.000 0.431 469 D N 0.528 121.082 120.400 0.257 0.000 2.103 469 D HA -0.239 4.409 4.640 0.013 0.000 0.190 469 D C 2.077 178.495 176.300 0.196 0.000 0.997 469 D CA 1.779 55.982 54.000 0.337 0.000 0.833 469 D CB -0.170 40.801 40.800 0.285 0.000 0.961 469 D HN 0.467 nan 8.370 nan 0.000 0.447 470 K N 0.339 120.825 120.400 0.144 0.000 2.211 470 K HA 0.029 4.357 4.320 0.013 0.000 0.203 470 K C 1.914 178.582 176.600 0.115 0.000 1.050 470 K CA 1.132 57.488 56.287 0.114 0.000 0.945 470 K CB -0.095 32.462 32.500 0.095 0.000 0.732 470 K HN -0.123 nan 8.250 nan 0.000 0.451 471 S N 0.760 116.539 115.700 0.132 0.000 2.496 471 S HA 0.172 4.650 4.470 0.013 0.000 0.224 471 S C 0.562 175.203 174.600 0.069 0.000 0.996 471 S CA 0.146 58.419 58.200 0.121 0.000 0.927 471 S CB -0.098 63.236 63.200 0.223 0.000 0.774 471 S HN 0.189 nan 8.310 nan 0.000 0.524 472 L N 1.143 122.422 121.223 0.094 0.000 2.346 472 L HA 0.401 4.749 4.340 0.013 0.000 0.276 472 L C 0.910 177.847 176.870 0.112 0.000 1.006 472 L CA -0.544 54.353 54.840 0.095 0.000 0.817 472 L CB 1.523 43.661 42.059 0.132 0.000 1.272 472 L HN -0.074 nan 8.230 nan 0.000 0.421 473 Q N 0.756 120.604 119.800 0.080 0.000 2.297 473 Q HA 0.034 4.382 4.340 0.013 0.000 0.204 473 Q C -0.110 175.939 176.000 0.082 0.000 0.962 473 Q CA 0.858 56.703 55.803 0.070 0.000 0.879 473 Q CB 0.330 29.096 28.738 0.045 0.000 0.947 473 Q HN 0.389 nan 8.270 nan 0.000 0.462 474 K N 0.783 121.244 120.400 0.102 0.000 2.238 474 K HA 0.259 4.587 4.320 0.013 0.000 0.239 474 K C -0.598 176.087 176.600 0.141 0.000 0.987 474 K CA -0.756 55.590 56.287 0.098 0.000 0.857 474 K CB 1.253 33.800 32.500 0.078 0.000 1.154 474 K HN -0.150 nan 8.250 nan 0.000 0.439 475 E N 1.821 122.069 120.200 0.080 0.000 2.324 475 E HA -0.003 4.355 4.350 0.013 0.000 0.271 475 E C 0.375 176.998 176.600 0.039 0.000 1.028 475 E CA 0.026 56.430 56.400 0.007 0.000 0.890 475 E CB 0.315 29.992 29.700 -0.039 0.000 1.004 475 E HN 0.599 nan 8.360 nan 0.000 0.431 476 W N 3.909 125.218 121.300 0.016 0.000 2.735 476 W HA 0.284 4.952 4.660 0.014 0.000 0.264 476 W C 1.115 177.607 176.519 -0.046 0.000 1.233 476 W CA 0.384 57.728 57.345 -0.003 0.000 1.408 476 W CB -0.778 28.688 29.460 0.010 0.000 1.038 476 W HN 0.606 nan 8.180 nan 0.000 0.603 477 A N 3.071 125.255 122.820 -1.060 0.000 2.042 477 A HA -0.316 4.012 4.320 0.013 0.000 0.222 477 A C 1.597 178.805 177.584 -0.628 0.000 1.167 477 A CA 2.282 53.645 52.037 -1.123 0.000 0.649 477 A CB -1.130 17.027 19.000 -1.405 0.000 0.809 477 A HN 0.574 nan 8.150 nan 0.000 0.457 478 N N -2.554 115.924 118.700 -0.371 0.000 2.305 478 N HA 0.083 4.831 4.740 0.013 0.000 0.248 478 N C -0.987 174.496 175.510 -0.046 0.000 1.290 478 N CA 0.205 53.143 53.050 -0.186 0.000 0.873 478 N CB 0.581 39.015 38.487 -0.087 0.000 1.261 478 N HN 0.151 nan 8.380 nan 0.000 0.504 479 D N 1.008 121.405 120.400 -0.005 0.000 3.285 479 D HA 0.086 4.734 4.640 0.013 0.000 0.273 479 D C 0.694 177.061 176.300 0.112 0.000 1.295 479 D CA -0.408 53.621 54.000 0.048 0.000 0.762 479 D CB 0.357 41.185 40.800 0.046 0.000 1.379 479 D HN -0.039 nan 8.370 nan 0.000 0.612 480 L N 0.997 122.295 121.223 0.126 0.000 2.456 480 L HA -0.134 4.214 4.340 0.013 0.000 0.225 480 L C 1.008 177.949 176.870 0.118 0.000 1.142 480 L CA 1.908 56.855 54.840 0.179 0.000 0.796 480 L CB -0.151 42.003 42.059 0.159 0.000 0.920 480 L HN 0.122 nan 8.230 nan 0.000 0.446 481 D N -1.902 118.542 120.400 0.074 0.000 2.312 481 D HA -0.152 4.496 4.640 0.013 0.000 0.211 481 D C 1.929 178.258 176.300 0.049 0.000 0.964 481 D CA 0.367 54.389 54.000 0.037 0.000 0.877 481 D CB -0.039 40.769 40.800 0.013 0.000 0.924 481 D HN 0.324 nan 8.370 nan 0.000 0.515 482 Q N 0.081 119.937 119.800 0.094 0.000 2.297 482 Q HA -0.094 4.254 4.340 0.013 0.000 0.208 482 Q C 1.879 177.916 176.000 0.061 0.000 0.981 482 Q CA 0.544 56.404 55.803 0.096 0.000 0.876 482 Q CB -0.219 28.622 28.738 0.173 0.000 0.921 482 Q HN 0.357 nan 8.270 nan 0.000 0.446 483 L N 0.166 121.419 121.223 0.051 0.000 2.187 483 L HA -0.174 4.174 4.340 0.013 0.000 0.213 483 L C 2.127 178.983 176.870 -0.024 0.000 1.100 483 L CA 0.868 55.702 54.840 -0.010 0.000 0.765 483 L CB -0.716 41.336 42.059 -0.013 0.000 0.904 483 L HN 0.178 nan 8.230 nan 0.000 0.437 484 I N 0.009 120.569 120.570 -0.016 0.000 2.530 484 I HA -0.268 3.910 4.170 0.013 0.000 0.257 484 I C 1.657 177.745 176.117 -0.048 0.000 1.179 484 I CA 1.182 62.462 61.300 -0.033 0.000 1.440 484 I CB -0.382 37.601 38.000 -0.029 0.000 1.087 484 I HN 0.309 nan 8.210 nan 0.000 0.440 485 N N -0.061 118.615 118.700 -0.041 0.000 2.571 485 N HA -0.013 4.736 4.740 0.013 0.000 0.189 485 N C 1.479 176.927 175.510 -0.103 0.000 1.154 485 N CA 0.671 53.687 53.050 -0.056 0.000 0.907 485 N CB -0.237 38.233 38.487 -0.028 0.000 0.977 485 N HN 0.417 nan 8.380 nan 0.000 0.449 486 L N -0.254 120.898 121.223 -0.119 0.000 2.307 486 L HA 0.026 4.374 4.340 0.013 0.000 0.211 486 L C 1.994 178.720 176.870 -0.240 0.000 1.099 486 L CA 0.183 54.900 54.840 -0.206 0.000 0.816 486 L CB -0.353 41.627 42.059 -0.131 0.000 0.952 486 L HN 0.055 nan 8.230 nan 0.000 0.455 487 V N -0.342 119.478 119.914 -0.156 0.000 2.363 487 V HA -0.354 3.774 4.120 0.013 0.000 0.254 487 V C 2.437 178.431 176.094 -0.167 0.000 1.074 487 V CA 2.402 64.616 62.300 -0.143 0.000 1.069 487 V CB -1.208 30.556 31.823 -0.098 0.000 0.659 487 V HN 0.646 nan 8.190 nan 0.000 0.455 488 K N 1.119 121.416 120.400 -0.172 0.000 2.025 488 K HA -0.004 4.324 4.320 0.013 0.000 0.207 488 K C 2.037 178.492 176.600 -0.242 0.000 1.049 488 K CA 1.794 57.981 56.287 -0.167 0.000 0.933 488 K CB -0.802 31.618 32.500 -0.133 0.000 0.714 488 K HN 0.448 nan 8.250 nan 0.000 0.438 489 L N 1.498 122.488 121.223 -0.387 0.000 2.651 489 L HA -0.071 4.277 4.340 0.013 0.000 0.236 489 L C 2.372 178.867 176.870 -0.625 0.000 1.173 489 L CA 0.665 55.114 54.840 -0.650 0.000 0.843 489 L CB -0.407 40.943 42.059 -1.183 0.000 0.964 489 L HN 0.382 nan 8.230 nan 0.000 0.454 490 A N -0.590 122.010 122.820 -0.366 0.000 2.178 490 A HA -0.198 4.130 4.320 0.013 0.000 0.218 490 A C 1.709 179.233 177.584 -0.099 0.000 1.157 490 A CA 1.875 53.794 52.037 -0.197 0.000 0.689 490 A CB -0.373 18.530 19.000 -0.161 0.000 0.787 490 A HN 0.454 nan 8.150 nan 0.000 0.465 491 D N -0.797 119.539 120.400 -0.108 0.000 2.323 491 D HA 0.039 4.687 4.640 0.013 0.000 0.218 491 D C 0.344 176.640 176.300 -0.008 0.000 0.973 491 D CA 0.283 54.252 54.000 -0.051 0.000 0.890 491 D CB 0.001 40.767 40.800 -0.057 0.000 1.011 491 D HN 0.331 nan 8.370 nan 0.000 0.499 492 D N 0.539 120.936 120.400 -0.005 0.000 2.455 492 D HA 0.047 4.695 4.640 0.013 0.000 0.265 492 D C 1.256 177.623 176.300 0.111 0.000 1.284 492 D CA 0.012 54.047 54.000 0.058 0.000 0.944 492 D CB 0.695 41.545 40.800 0.085 0.000 1.121 492 D HN 0.128 nan 8.370 nan 0.000 0.525 493 A N 4.919 127.779 122.820 0.066 0.000 1.997 493 A HA -0.280 4.048 4.320 0.013 0.000 0.221 493 A C 1.999 179.626 177.584 0.072 0.000 1.172 493 A CA 1.642 53.714 52.037 0.059 0.000 0.645 493 A CB -0.291 18.729 19.000 0.033 0.000 0.813 493 A HN 0.668 nan 8.150 nan 0.000 0.454 494 K N -1.895 118.554 120.400 0.082 0.000 2.103 494 K HA -0.023 4.306 4.320 0.013 0.000 0.204 494 K C 1.736 178.393 176.600 0.094 0.000 1.052 494 K CA 1.352 57.682 56.287 0.072 0.000 0.945 494 K CB -0.274 32.266 32.500 0.067 0.000 0.722 494 K HN 0.523 nan 8.250 nan 0.000 0.443 495 F N 2.019 121.977 119.950 0.013 0.000 2.084 495 F HA -0.119 4.416 4.527 0.013 0.000 0.296 495 F C 2.279 178.106 175.800 0.044 0.000 1.111 495 F CA 1.292 59.308 58.000 0.026 0.000 1.224 495 F CB 0.016 39.018 39.000 0.003 0.000 0.991 495 F HN -0.175 nan 8.300 nan 0.000 0.471 496 R N 0.110 120.757 120.500 0.245 0.000 2.119 496 R HA -0.254 4.094 4.340 0.013 0.000 0.246 496 R C 1.966 178.294 176.300 0.047 0.000 1.146 496 R CA 2.111 58.285 56.100 0.124 0.000 0.962 496 R CB -0.871 29.483 30.300 0.091 0.000 0.863 496 R HN 0.385 nan 8.270 nan 0.000 0.442 497 D N 0.261 120.677 120.400 0.028 0.000 2.097 497 D HA -0.115 4.534 4.640 0.013 0.000 0.197 497 D C 1.942 178.222 176.300 -0.033 0.000 0.984 497 D CA 0.981 54.983 54.000 0.003 0.000 0.826 497 D CB -0.008 40.795 40.800 0.005 0.000 0.973 497 D HN 0.105 nan 8.370 nan 0.000 0.460 498 L N -0.595 120.576 121.223 -0.086 0.000 2.093 498 L HA -0.150 4.198 4.340 0.013 0.000 0.208 498 L C 2.156 178.920 176.870 -0.177 0.000 1.085 498 L CA 0.861 55.617 54.840 -0.141 0.000 0.755 498 L CB -0.418 41.529 42.059 -0.186 0.000 0.904 498 L HN 0.200 nan 8.230 nan 0.000 0.435 499 Y N 0.463 120.531 120.300 -0.386 0.000 2.242 499 Y HA -0.251 4.307 4.550 0.013 0.000 0.291 499 Y C 2.816 178.622 175.900 -0.156 0.000 1.137 499 Y CA 1.535 59.434 58.100 -0.336 0.000 1.181 499 Y CB -0.085 38.151 38.460 -0.372 0.000 0.989 499 Y HN 0.004 nan 8.280 nan 0.000 0.527 500 R N 0.020 120.580 120.500 0.100 0.000 2.061 500 R HA -0.138 4.210 4.340 0.013 0.000 0.230 500 R C 2.341 178.623 176.300 -0.029 0.000 1.140 500 R CA 2.221 58.360 56.100 0.065 0.000 0.940 500 R CB -0.770 29.562 30.300 0.053 0.000 0.839 500 R HN 0.360 nan 8.270 nan 0.000 0.429 501 V N -0.447 119.439 119.914 -0.047 0.000 2.439 501 V HA -0.267 3.861 4.120 0.013 0.000 0.253 501 V C 2.152 178.196 176.094 -0.083 0.000 1.074 501 V CA 1.912 64.176 62.300 -0.059 0.000 1.076 501 V CB -0.772 31.019 31.823 -0.053 0.000 0.664 501 V HN 0.313 nan 8.190 nan 0.000 0.461 502 I N 0.154 120.650 120.570 -0.125 0.000 2.133 502 I HA -0.183 3.995 4.170 0.013 0.000 0.238 502 I C 2.684 178.713 176.117 -0.147 0.000 1.074 502 I CA 2.193 63.399 61.300 -0.157 0.000 1.342 502 I CB -0.470 37.380 38.000 -0.250 0.000 1.053 502 I HN 0.319 nan 8.210 nan 0.000 0.404 503 K N 1.174 121.473 120.400 -0.169 0.000 2.074 503 K HA -0.302 4.026 4.320 0.013 0.000 0.209 503 K C 2.092 178.629 176.600 -0.106 0.000 1.048 503 K CA 1.924 58.139 56.287 -0.120 0.000 0.926 503 K CB -0.416 32.051 32.500 -0.055 0.000 0.713 503 K HN 0.153 nan 8.250 nan 0.000 0.444 504 Q N -0.003 119.739 119.800 -0.096 0.000 2.112 504 Q HA -0.100 4.248 4.340 0.013 0.000 0.206 504 Q C 1.852 177.799 176.000 -0.089 0.000 0.987 504 Q CA 2.386 58.125 55.803 -0.107 0.000 0.858 504 Q CB -0.718 27.974 28.738 -0.077 0.000 0.905 504 Q HN 0.376 nan 8.270 nan 0.000 0.420 505 A N 0.366 123.146 122.820 -0.067 0.000 1.902 505 A HA -0.205 4.123 4.320 0.013 0.000 0.217 505 A C 1.857 179.425 177.584 -0.026 0.000 1.181 505 A CA 1.703 53.715 52.037 -0.040 0.000 0.623 505 A CB -0.774 18.201 19.000 -0.041 0.000 0.818 505 A HN 0.537 nan 8.150 nan 0.000 0.443 506 N N 0.035 118.710 118.700 -0.042 0.000 2.289 506 N HA -0.102 4.646 4.740 0.013 0.000 0.184 506 N C 1.500 177.024 175.510 0.023 0.000 1.016 506 N CA 1.390 54.433 53.050 -0.012 0.000 0.872 506 N CB -0.262 38.209 38.487 -0.028 0.000 0.973 506 N HN 0.599 nan 8.380 nan 0.000 0.433 507 K N 0.053 120.423 120.400 -0.051 0.000 2.116 507 K HA 0.091 4.419 4.320 0.013 0.000 0.203 507 K C 1.773 178.445 176.600 0.120 0.000 1.052 507 K CA 0.480 56.716 56.287 -0.085 0.000 0.952 507 K CB 0.108 32.252 32.500 -0.592 0.000 0.729 507 K HN -0.055 nan 8.250 nan 0.000 0.446 508 V N 1.650 121.594 119.914 0.050 0.000 2.626 508 V HA -0.181 3.947 4.120 0.013 0.000 0.252 508 V C 2.096 178.259 176.094 0.116 0.000 1.067 508 V CA 1.505 63.859 62.300 0.089 0.000 1.081 508 V CB -0.490 31.358 31.823 0.042 0.000 0.686 508 V HN 0.258 nan 8.190 nan 0.000 0.468 509 R N -0.556 120.005 120.500 0.103 0.000 2.093 509 R HA -0.005 4.343 4.340 0.013 0.000 0.224 509 R C 2.196 178.596 176.300 0.167 0.000 1.101 509 R CA 0.905 57.069 56.100 0.107 0.000 0.979 509 R CB -0.440 29.897 30.300 0.063 0.000 0.877 509 R HN 0.356 nan 8.270 nan 0.000 0.441 510 L N 1.095 122.446 121.223 0.213 0.000 2.141 510 L HA -0.021 4.327 4.340 0.013 0.000 0.209 510 L C 2.176 179.209 176.870 0.271 0.000 1.094 510 L CA 1.504 56.513 54.840 0.282 0.000 0.763 510 L CB -0.520 41.747 42.059 0.348 0.000 0.908 510 L HN 0.088 nan 8.230 nan 0.000 0.437 511 A N -0.862 122.110 122.820 0.253 0.000 1.969 511 A HA -0.187 4.141 4.320 0.013 0.000 0.218 511 A C 2.090 179.759 177.584 0.142 0.000 1.169 511 A CA 1.598 53.740 52.037 0.176 0.000 0.635 511 A CB -0.433 18.682 19.000 0.191 0.000 0.810 511 A HN 0.603 nan 8.150 nan 0.000 0.445 512 E N -1.144 119.154 120.200 0.164 0.000 2.006 512 E HA -0.167 4.191 4.350 0.013 0.000 0.192 512 E C 1.809 178.524 176.600 0.190 0.000 0.993 512 E CA 1.237 57.727 56.400 0.150 0.000 0.808 512 E CB -0.414 29.373 29.700 0.145 0.000 0.764 512 E HN 0.563 nan 8.360 nan 0.000 0.449 513 F N 2.050 122.037 119.950 0.062 0.000 2.085 513 F HA -0.293 4.242 4.527 0.013 0.000 0.299 513 F C 2.172 178.008 175.800 0.060 0.000 1.096 513 F CA 1.239 59.276 58.000 0.062 0.000 1.227 513 F CB -0.599 38.444 39.000 0.072 0.000 0.983 513 F HN -0.187 nan 8.300 nan 0.000 0.482 514 V N 0.405 120.351 119.914 0.053 0.000 2.233 514 V HA -0.363 3.765 4.120 0.013 0.000 0.247 514 V C 2.477 178.535 176.094 -0.060 0.000 1.050 514 V CA 2.501 64.764 62.300 -0.062 0.000 1.010 514 V CB -0.841 30.980 31.823 -0.002 0.000 0.637 514 V HN 0.342 nan 8.190 nan 0.000 0.444 515 K N -0.136 120.263 120.400 -0.002 0.000 2.063 515 K HA -0.168 4.160 4.320 0.013 0.000 0.208 515 K C 1.942 178.533 176.600 -0.014 0.000 1.048 515 K CA 1.703 57.991 56.287 0.001 0.000 0.928 515 K CB -0.332 32.184 32.500 0.026 0.000 0.713 515 K HN 0.287 nan 8.250 nan 0.000 0.442 516 V N 1.384 121.289 119.914 -0.014 0.000 2.287 516 V HA -0.243 3.885 4.120 0.013 0.000 0.248 516 V C 2.334 178.386 176.094 -0.070 0.000 1.053 516 V CA 2.066 64.355 62.300 -0.018 0.000 1.027 516 V CB -0.465 31.372 31.823 0.023 0.000 0.646 516 V HN 0.357 nan 8.190 nan 0.000 0.447 517 R N -0.130 120.267 120.500 -0.172 0.000 2.240 517 R HA -0.009 4.339 4.340 0.013 0.000 0.203 517 R C 1.984 178.226 176.300 -0.097 0.000 1.011 517 R CA 1.542 57.529 56.100 -0.188 0.000 1.007 517 R CB -0.102 29.962 30.300 -0.393 0.000 0.911 517 R HN 0.742 nan 8.270 nan 0.000 0.468 518 T N -5.839 108.675 114.554 -0.066 0.000 2.993 518 T HA 0.229 4.587 4.350 0.013 0.000 0.260 518 T C 1.332 176.031 174.700 -0.002 0.000 0.939 518 T CA 0.524 62.616 62.100 -0.014 0.000 0.886 518 T CB 1.181 70.054 68.868 0.008 0.000 1.209 518 T HN 0.252 nan 8.240 nan 0.000 0.518 519 G N 1.974 110.770 108.800 -0.008 0.000 2.199 519 G HA2 -0.196 3.772 3.960 0.013 0.000 0.254 519 G HA3 -0.196 3.772 3.960 0.013 0.000 0.254 519 G C 0.041 174.944 174.900 0.006 0.000 0.982 519 G CA 0.069 45.171 45.100 0.003 0.000 0.632 519 G HN 0.699 nan 8.290 nan 0.000 0.529 520 I N 1.765 122.336 120.570 0.001 0.000 2.496 520 I HA 0.199 4.377 4.170 0.013 0.000 0.285 520 I C -0.207 175.910 176.117 -0.001 0.000 1.080 520 I CA -0.326 60.974 61.300 -0.001 0.000 1.404 520 I CB 0.749 38.745 38.000 -0.006 0.000 1.403 520 I HN -0.035 nan 8.210 nan 0.000 0.539 521 D N 6.917 127.320 120.400 0.005 0.000 2.393 521 D HA 0.208 4.856 4.640 0.013 0.000 0.232 521 D C -0.242 176.061 176.300 0.006 0.000 1.192 521 D CA -0.255 53.754 54.000 0.014 0.000 0.882 521 D CB 0.988 41.800 40.800 0.021 0.000 1.038 521 D HN 0.176 nan 8.370 nan 0.000 0.499 522 I N 3.386 123.955 120.570 -0.002 0.000 2.396 522 I HA -0.034 4.144 4.170 0.013 0.000 0.289 522 I C 0.571 176.725 176.117 0.062 0.000 1.056 522 I CA -0.522 60.755 61.300 -0.038 0.000 1.365 522 I CB 0.501 38.405 38.000 -0.159 0.000 1.407 522 I HN 0.162 nan 8.210 nan 0.000 0.509 523 N N 9.978 128.722 118.700 0.073 0.000 2.431 523 N HA 0.141 4.889 4.740 0.013 0.000 0.265 523 N C -1.827 173.869 175.510 0.310 0.000 1.184 523 N CA -1.459 51.672 53.050 0.136 0.000 0.943 523 N CB 0.842 39.380 38.487 0.085 0.000 1.080 523 N HN 0.338 nan 8.380 nan 0.000 0.477 524 P HA -0.055 nan 4.420 nan 0.000 0.245 524 P C 0.217 177.516 177.300 -0.002 0.000 1.212 524 P CA 0.738 63.933 63.100 0.160 0.000 0.774 524 P CB 0.568 32.318 31.700 0.083 0.000 0.999 525 Q N -0.510 119.326 119.800 0.060 0.000 2.402 525 Q HA 0.221 4.569 4.340 0.013 0.000 0.206 525 Q C 1.176 177.191 176.000 0.025 0.000 0.919 525 Q CA 0.020 55.836 55.803 0.023 0.000 0.923 525 Q CB 0.024 28.779 28.738 0.028 0.000 1.048 525 Q HN 0.195 nan 8.270 nan 0.000 0.515 526 A N 0.822 123.686 122.820 0.074 0.000 2.313 526 A HA 0.383 4.711 4.320 0.013 0.000 0.261 526 A C 0.063 177.600 177.584 -0.077 0.000 1.090 526 A CA -0.466 51.578 52.037 0.012 0.000 0.807 526 A CB 0.192 19.230 19.000 0.063 0.000 1.055 526 A HN 0.254 nan 8.150 nan 0.000 0.492 527 I N 1.994 122.354 120.570 -0.351 0.000 2.389 527 I HA 0.020 4.198 4.170 0.013 0.000 0.295 527 I C -0.652 175.347 176.117 -0.196 0.000 1.117 527 I CA -0.003 60.949 61.300 -0.581 0.000 1.317 527 I CB -0.301 37.189 38.000 -0.851 0.000 1.431 527 I HN 0.364 nan 8.210 nan 0.000 0.521 528 F N 4.665 124.420 119.950 -0.325 0.000 2.604 528 F HA -0.002 4.533 4.527 0.013 0.000 0.337 528 F C 1.078 176.699 175.800 -0.298 0.000 1.294 528 F CA -0.386 57.464 58.000 -0.251 0.000 1.066 528 F CB -0.831 38.098 39.000 -0.119 0.000 1.391 528 F HN 0.400 nan 8.300 nan 0.000 0.652 529 D N 4.627 124.814 120.400 -0.355 0.000 2.402 529 D HA 0.168 4.816 4.640 0.013 0.000 0.235 529 D C 0.005 176.115 176.300 -0.316 0.000 1.226 529 D CA 0.002 53.735 54.000 -0.445 0.000 0.918 529 D CB 0.159 40.373 40.800 -0.978 0.000 1.043 529 D HN 0.298 nan 8.370 nan 0.000 0.506 530 I N 2.891 123.352 120.570 -0.183 0.000 2.353 530 I HA 0.204 4.382 4.170 0.013 0.000 0.293 530 I C 0.379 176.351 176.117 -0.243 0.000 0.992 530 I CA -0.608 60.573 61.300 -0.198 0.000 1.268 530 I CB 1.594 39.543 38.000 -0.085 0.000 1.387 530 I HN 0.189 nan 8.210 nan 0.000 0.478 531 Q N 8.305 127.855 119.800 -0.417 0.000 2.464 531 Q HA 0.496 4.845 4.340 0.013 0.000 0.256 531 Q C -1.314 174.447 176.000 -0.398 0.000 1.020 531 Q CA -0.537 55.020 55.803 -0.410 0.000 0.716 531 Q CB 1.242 29.654 28.738 -0.543 0.000 1.230 531 Q HN 0.743 nan 8.270 nan 0.000 0.494 532 I N 1.758 122.136 120.570 -0.320 0.000 2.420 532 I HA 0.654 4.832 4.170 0.013 0.000 0.282 532 I C -1.179 174.628 176.117 -0.517 0.000 1.019 532 I CA -0.592 60.416 61.300 -0.488 0.000 1.130 532 I CB 0.890 38.617 38.000 -0.455 0.000 1.262 532 I HN 0.457 nan 8.210 nan 0.000 0.454 533 K N 3.585 123.687 120.400 -0.496 0.000 2.711 533 K HA 0.409 4.737 4.320 0.013 0.000 0.294 533 K C -1.126 175.405 176.600 -0.114 0.000 1.037 533 K CA -1.141 54.997 56.287 -0.248 0.000 0.858 533 K CB 1.130 33.545 32.500 -0.142 0.000 1.521 533 K HN 0.505 nan 8.250 nan 0.000 0.386 534 R N 1.011 121.512 120.500 0.003 0.000 2.537 534 R HA 0.020 4.368 4.340 0.013 0.000 0.281 534 R C -0.397 175.899 176.300 -0.007 0.000 0.988 534 R CA -0.118 56.012 56.100 0.050 0.000 1.077 534 R CB 0.122 30.463 30.300 0.068 0.000 0.932 534 R HN 0.548 nan 8.270 nan 0.000 0.409 535 L N 5.340 126.570 121.223 0.013 0.000 2.385 535 L HA 0.111 4.459 4.340 0.013 0.000 0.281 535 L C -0.298 176.465 176.870 -0.178 0.000 1.106 535 L CA 0.367 55.171 54.840 -0.061 0.000 0.856 535 L CB 0.050 42.102 42.059 -0.011 0.000 1.186 535 L HN 0.594 nan 8.230 nan 0.000 0.453 536 H N 3.065 121.936 119.070 -0.331 0.000 2.928 536 H HA 0.153 4.717 4.556 0.013 0.000 0.371 536 H C 0.016 175.092 175.328 -0.419 0.000 1.186 536 H CA -0.502 55.298 56.048 -0.415 0.000 1.134 536 H CB 1.962 31.354 29.762 -0.616 0.000 1.824 536 H HN 0.741 nan 8.280 nan 0.000 0.554 537 E N 1.878 122.097 120.200 0.030 0.000 2.047 537 E HA -0.211 4.147 4.350 0.013 0.000 0.191 537 E C 1.274 177.754 176.600 -0.200 0.000 0.987 537 E CA 1.555 57.947 56.400 -0.013 0.000 0.799 537 E CB -0.127 29.700 29.700 0.211 0.000 0.752 537 E HN 0.599 nan 8.360 nan 0.000 0.449 538 Y N 0.361 120.392 120.300 -0.449 0.000 2.569 538 Y HA 0.030 4.588 4.550 0.013 0.000 0.293 538 Y C 1.331 177.032 175.900 -0.332 0.000 1.144 538 Y CA 0.646 58.250 58.100 -0.827 0.000 1.321 538 Y CB -0.173 37.807 38.460 -0.800 0.000 0.982 538 Y HN -0.126 nan 8.280 nan 0.000 0.558 539 K N 0.831 121.024 120.400 -0.345 0.000 2.426 539 K HA 0.119 4.447 4.320 0.013 0.000 0.193 539 K C 0.190 176.759 176.600 -0.053 0.000 1.028 539 K CA 0.200 56.376 56.287 -0.185 0.000 1.047 539 K CB 0.036 32.379 32.500 -0.262 0.000 0.821 539 K HN 0.272 nan 8.250 nan 0.000 0.513 540 R N 0.918 121.436 120.500 0.029 0.000 3.405 540 R HA -0.230 4.118 4.340 0.013 0.000 0.258 540 R C 0.411 176.835 176.300 0.207 0.000 1.030 540 R CA 0.211 56.420 56.100 0.182 0.000 0.691 540 R CB -1.630 28.668 30.300 -0.003 0.000 1.093 540 R HN 0.281 nan 8.270 nan 0.000 0.448 541 Q N -0.383 119.526 119.800 0.180 0.000 2.234 541 Q HA -0.184 4.164 4.340 0.013 0.000 0.206 541 Q C 1.802 177.926 176.000 0.207 0.000 0.980 541 Q CA 2.232 58.141 55.803 0.176 0.000 0.869 541 Q CB -0.245 28.547 28.738 0.091 0.000 0.912 541 Q HN 0.861 nan 8.270 nan 0.000 0.436 542 H N -1.879 117.176 119.070 -0.026 0.000 2.491 542 H HA -0.028 4.537 4.556 0.014 0.000 0.290 542 H C 1.847 177.185 175.328 0.018 0.000 1.050 542 H CA 0.521 56.549 56.048 -0.033 0.000 1.309 542 H CB -0.082 29.661 29.762 -0.031 0.000 1.392 542 H HN 0.203 nan 8.280 nan 0.000 0.554 543 L N 1.571 122.796 121.223 0.003 0.000 2.109 543 L HA -0.104 4.244 4.340 0.013 0.000 0.207 543 L C 2.097 179.060 176.870 0.155 0.000 1.086 543 L CA 1.664 56.501 54.840 -0.004 0.000 0.760 543 L CB -0.765 41.212 42.059 -0.137 0.000 0.910 543 L HN 0.417 nan 8.230 nan 0.000 0.437 544 N N -1.049 117.729 118.700 0.131 0.000 2.188 544 N HA -0.211 4.537 4.740 0.013 0.000 0.184 544 N C 1.957 177.545 175.510 0.130 0.000 1.018 544 N CA 1.021 54.215 53.050 0.239 0.000 0.858 544 N CB -0.060 38.551 38.487 0.207 0.000 0.989 544 N HN 0.342 nan 8.380 nan 0.000 0.426 545 L N 1.060 122.332 121.223 0.082 0.000 2.017 545 L HA -0.104 4.245 4.340 0.013 0.000 0.208 545 L C 1.921 178.758 176.870 -0.055 0.000 1.073 545 L CA 1.379 56.183 54.840 -0.060 0.000 0.745 545 L CB -0.840 41.150 42.059 -0.115 0.000 0.894 545 L HN 0.195 nan 8.230 nan 0.000 0.432 546 L N -0.344 120.905 121.223 0.042 0.000 2.079 546 L HA -0.187 4.161 4.340 0.013 0.000 0.210 546 L C 2.772 179.782 176.870 0.233 0.000 1.081 546 L CA 1.576 56.466 54.840 0.083 0.000 0.752 546 L CB -1.059 41.047 42.059 0.078 0.000 0.896 546 L HN 0.334 nan 8.230 nan 0.000 0.433 547 R N -0.652 120.004 120.500 0.261 0.000 2.073 547 R HA -0.037 4.311 4.340 0.013 0.000 0.229 547 R C 2.314 178.567 176.300 -0.079 0.000 1.120 547 R CA 1.063 57.235 56.100 0.120 0.000 0.967 547 R CB -0.182 30.103 30.300 -0.024 0.000 0.862 547 R HN 0.312 nan 8.270 nan 0.000 0.436 548 I N 0.978 121.405 120.570 -0.239 0.000 2.163 548 I HA -0.328 3.850 4.170 0.013 0.000 0.243 548 I C 2.289 178.310 176.117 -0.160 0.000 1.085 548 I CA 1.253 62.287 61.300 -0.443 0.000 1.347 548 I CB -0.219 37.414 38.000 -0.611 0.000 1.044 548 I HN 0.195 nan 8.210 nan 0.000 0.408 549 L N 0.374 121.540 121.223 -0.095 0.000 2.046 549 L HA -0.222 4.126 4.340 0.013 0.000 0.208 549 L C 2.844 179.770 176.870 0.093 0.000 1.077 549 L CA 1.424 56.274 54.840 0.017 0.000 0.747 549 L CB -0.665 41.363 42.059 -0.052 0.000 0.896 549 L HN 0.259 nan 8.230 nan 0.000 0.432 550 A N -0.249 122.627 122.820 0.094 0.000 1.902 550 A HA -0.225 4.103 4.320 0.013 0.000 0.217 550 A C 2.175 179.804 177.584 0.075 0.000 1.181 550 A CA 1.600 53.711 52.037 0.124 0.000 0.623 550 A CB -0.645 18.511 19.000 0.260 0.000 0.818 550 A HN 0.328 nan 8.150 nan 0.000 0.443 551 L N -1.644 119.609 121.223 0.050 0.000 2.056 551 L HA -0.122 4.226 4.340 0.013 0.000 0.207 551 L C 2.290 179.230 176.870 0.117 0.000 1.078 551 L CA 2.165 57.037 54.840 0.054 0.000 0.749 551 L CB -0.847 41.240 42.059 0.047 0.000 0.901 551 L HN 0.531 nan 8.230 nan 0.000 0.433 552 Y N 0.622 120.911 120.300 -0.020 0.000 2.145 552 Y HA -0.239 4.319 4.550 0.014 0.000 0.286 552 Y C 2.625 178.536 175.900 0.018 0.000 1.145 552 Y CA 2.171 60.270 58.100 -0.001 0.000 1.148 552 Y CB -0.511 37.939 38.460 -0.016 0.000 0.981 552 Y HN 0.234 nan 8.280 nan 0.000 0.507 553 K N 0.622 120.974 120.400 -0.079 0.000 2.044 553 K HA -0.298 4.030 4.320 0.013 0.000 0.210 553 K C 2.199 178.738 176.600 -0.102 0.000 1.049 553 K CA 2.075 58.262 56.287 -0.166 0.000 0.927 553 K CB -0.397 32.073 32.500 -0.049 0.000 0.713 553 K HN 0.572 nan 8.250 nan 0.000 0.443 554 E N 0.531 120.716 120.200 -0.026 0.000 2.049 554 E HA -0.214 4.144 4.350 0.013 0.000 0.198 554 E C 2.119 178.711 176.600 -0.014 0.000 1.007 554 E CA 1.778 58.172 56.400 -0.010 0.000 0.809 554 E CB -0.158 29.549 29.700 0.010 0.000 0.749 554 E HN 0.388 nan 8.360 nan 0.000 0.450 555 I N 0.485 121.059 120.570 0.006 0.000 2.208 555 I HA -0.306 3.872 4.170 0.013 0.000 0.245 555 I C 2.722 178.833 176.117 -0.011 0.000 1.097 555 I CA 1.243 62.556 61.300 0.021 0.000 1.363 555 I CB -0.397 37.652 38.000 0.081 0.000 1.051 555 I HN 0.095 nan 8.210 nan 0.000 0.413 556 R N 0.593 121.049 120.500 -0.073 0.000 2.070 556 R HA -0.173 4.175 4.340 0.013 0.000 0.233 556 R C 2.229 178.488 176.300 -0.067 0.000 1.137 556 R CA 1.532 57.572 56.100 -0.099 0.000 0.945 556 R CB -0.407 29.756 30.300 -0.228 0.000 0.845 556 R HN 0.291 nan 8.270 nan 0.000 0.430 557 E N 1.147 121.303 120.200 -0.073 0.000 1.992 557 E HA -0.140 4.218 4.350 0.013 0.000 0.202 557 E C 0.547 177.131 176.600 -0.026 0.000 1.007 557 E CA 1.007 57.379 56.400 -0.047 0.000 0.857 557 E CB -0.190 29.485 29.700 -0.042 0.000 0.796 557 E HN 0.044 nan 8.360 nan 0.000 0.486 558 N N 1.032 119.721 118.700 -0.018 0.000 2.448 558 N HA 0.025 4.773 4.740 0.013 0.000 0.250 558 N C -2.055 173.452 175.510 -0.004 0.000 1.136 558 N CA -1.420 51.625 53.050 -0.009 0.000 0.953 558 N CB 0.944 39.429 38.487 -0.004 0.000 1.251 558 N HN 0.021 nan 8.380 nan 0.000 0.502 559 P HA -0.090 nan 4.420 nan 0.000 0.225 559 P C 0.489 177.792 177.300 0.004 0.000 1.156 559 P CA 0.883 63.984 63.100 0.002 0.000 0.787 559 P CB 0.571 32.271 31.700 0.001 0.000 0.802 560 Q N -0.064 119.737 119.800 0.003 0.000 2.444 560 Q HA 0.148 4.496 4.340 0.013 0.000 0.206 560 Q C 1.018 177.020 176.000 0.004 0.000 0.948 560 Q CA 0.055 55.860 55.803 0.003 0.000 0.946 560 Q CB -0.622 28.118 28.738 0.003 0.000 1.027 560 Q HN 0.177 nan 8.270 nan 0.000 0.513 561 A N 2.217 125.039 122.820 0.004 0.000 2.770 561 A HA -0.008 4.320 4.320 0.013 0.000 0.292 561 A C -0.274 177.313 177.584 0.005 0.000 1.604 561 A CA -0.272 51.767 52.037 0.003 0.000 1.271 561 A CB -0.548 18.454 19.000 0.003 0.000 1.075 561 A HN -0.072 nan 8.150 nan 0.000 0.573 562 D N 2.177 122.579 120.400 0.004 0.000 2.349 562 D HA 0.141 4.790 4.640 0.013 0.000 0.266 562 D C 0.126 176.426 176.300 0.000 0.000 1.293 562 D CA 0.600 54.602 54.000 0.004 0.000 0.926 562 D CB 0.172 40.975 40.800 0.004 0.000 1.090 562 D HN 0.362 nan 8.370 nan 0.000 0.502 563 R N 2.694 123.193 120.500 -0.002 0.000 2.686 563 R HA 0.353 4.701 4.340 0.013 0.000 0.286 563 R C -0.784 175.503 176.300 -0.021 0.000 0.969 563 R CA -1.033 55.060 56.100 -0.012 0.000 0.898 563 R CB 1.761 32.056 30.300 -0.009 0.000 1.183 563 R HN 0.144 nan 8.270 nan 0.000 0.456 564 V N 4.466 124.355 119.914 -0.042 0.000 2.599 564 V HA 0.064 4.192 4.120 0.013 0.000 0.300 564 V C -1.836 174.205 176.094 -0.088 0.000 1.034 564 V CA -0.982 61.282 62.300 -0.061 0.000 1.115 564 V CB 0.299 32.065 31.823 -0.095 0.000 0.934 564 V HN 0.540 nan 8.190 nan 0.000 0.485 565 P HA 0.173 nan 4.420 nan 0.000 0.265 565 P C -0.272 176.964 177.300 -0.107 0.000 1.187 565 P CA 0.267 63.339 63.100 -0.048 0.000 0.766 565 P CB 0.521 32.210 31.700 -0.018 0.000 0.820 566 R N 1.378 121.829 120.500 -0.083 0.000 2.912 566 R HA 0.784 5.132 4.340 0.013 0.000 0.262 566 R C -1.681 174.544 176.300 -0.124 0.000 1.057 566 R CA -0.971 55.022 56.100 -0.179 0.000 0.981 566 R CB 1.706 31.870 30.300 -0.227 0.000 1.201 566 R HN 0.191 nan 8.270 nan 0.000 0.484 567 V N 2.852 122.607 119.914 -0.265 0.000 2.610 567 V HA 0.336 4.464 4.120 0.013 0.000 0.288 567 V C -1.346 174.536 176.094 -0.354 0.000 1.055 567 V CA -0.679 61.492 62.300 -0.214 0.000 0.902 567 V CB 1.369 32.997 31.823 -0.325 0.000 1.030 567 V HN 0.556 nan 8.190 nan 0.000 0.448 568 F N 5.065 124.918 119.950 -0.162 0.000 2.385 568 F HA 0.746 5.281 4.527 0.013 0.000 0.336 568 F C 0.070 175.751 175.800 -0.198 0.000 1.100 568 F CA -0.584 57.300 58.000 -0.193 0.000 1.116 568 F CB 1.418 40.336 39.000 -0.137 0.000 1.166 568 F HN 0.218 nan 8.300 nan 0.000 0.511 569 L N 3.393 124.517 121.223 -0.166 0.000 2.410 569 L HA 0.544 4.892 4.340 0.013 0.000 0.270 569 L C -1.037 175.644 176.870 -0.316 0.000 0.983 569 L CA -0.331 54.429 54.840 -0.133 0.000 0.822 569 L CB 1.679 43.660 42.059 -0.130 0.000 1.285 569 L HN 0.426 nan 8.230 nan 0.000 0.409 570 F N 0.272 120.093 119.950 -0.214 0.000 2.575 570 F HA 0.879 5.414 4.527 0.013 0.000 0.330 570 F C 0.573 176.216 175.800 -0.263 0.000 1.056 570 F CA -0.797 56.929 58.000 -0.457 0.000 0.964 570 F CB 2.477 40.783 39.000 -1.157 0.000 1.258 570 F HN 0.352 nan 8.300 nan 0.000 0.484 571 G N 0.664 109.412 108.800 -0.088 0.000 2.413 571 G HA2 0.663 4.631 3.960 0.013 0.000 0.285 571 G HA3 0.663 4.631 3.960 0.013 0.000 0.285 571 G C -2.147 172.759 174.900 0.010 0.000 1.337 571 G CA -0.436 44.720 45.100 0.092 0.000 1.324 571 G HN 0.884 nan 8.290 nan 0.000 0.611 572 A N 2.479 125.588 122.820 0.482 0.000 2.574 572 A HA 0.846 5.174 4.320 0.013 0.000 0.297 572 A C -0.927 176.865 177.584 0.347 0.000 1.062 572 A CA -0.853 51.389 52.037 0.342 0.000 0.686 572 A CB 2.175 21.377 19.000 0.337 0.000 1.285 572 A HN 0.713 nan 8.150 nan 0.000 0.403 573 K N 2.086 122.621 120.400 0.225 0.000 2.404 573 K HA 0.641 4.969 4.320 0.013 0.000 0.257 573 K C -0.611 176.113 176.600 0.207 0.000 1.026 573 K CA -0.114 56.290 56.287 0.196 0.000 0.951 573 K CB 1.167 33.733 32.500 0.111 0.000 1.203 573 K HN 0.988 nan 8.250 nan 0.000 0.446 574 A N 3.502 126.484 122.820 0.270 0.000 2.276 574 A HA 0.565 4.893 4.320 0.013 0.000 0.300 574 A C 0.114 177.834 177.584 0.228 0.000 1.235 574 A CA -0.472 51.646 52.037 0.134 0.000 0.867 574 A CB 0.530 19.559 19.000 0.048 0.000 1.137 574 A HN 0.858 nan 8.150 nan 0.000 0.527 575 A N 4.485 127.415 122.820 0.184 0.000 2.531 575 A HA 0.494 4.822 4.320 0.013 0.000 0.236 575 A C -2.380 175.240 177.584 0.059 0.000 1.062 575 A CA -0.888 51.259 52.037 0.183 0.000 0.760 575 A CB -0.557 18.526 19.000 0.138 0.000 0.995 575 A HN 0.600 nan 8.150 nan 0.000 0.501 576 P HA 0.292 nan 4.420 nan 0.000 0.266 576 P C 0.981 178.200 177.300 -0.135 0.000 1.215 576 P CA 1.798 64.824 63.100 -0.122 0.000 0.763 576 P CB 0.702 32.338 31.700 -0.107 0.000 0.806 577 G N 2.857 111.506 108.800 -0.251 0.000 2.213 577 G HA2 -0.282 3.686 3.960 0.013 0.000 0.226 577 G HA3 -0.282 3.686 3.960 0.013 0.000 0.226 577 G C -0.138 174.207 174.900 -0.924 0.000 0.992 577 G CA -0.540 44.192 45.100 -0.613 0.000 0.632 577 G HN 0.485 nan 8.290 nan 0.000 0.511 578 Y N 2.972 122.943 120.300 -0.549 0.000 2.568 578 Y HA 0.532 5.091 4.550 0.014 0.000 0.338 578 Y C 1.481 177.191 175.900 -0.317 0.000 1.245 578 Y CA -1.830 56.031 58.100 -0.399 0.000 1.667 578 Y CB -0.767 37.544 38.460 -0.248 0.000 1.568 578 Y HN 0.262 nan 8.280 nan 0.000 0.471 579 Y N 2.075 122.505 120.300 0.217 0.000 2.207 579 Y HA -0.313 4.245 4.550 0.013 0.000 0.287 579 Y C 2.344 178.294 175.900 0.084 0.000 1.156 579 Y CA 1.301 59.463 58.100 0.103 0.000 1.182 579 Y CB -0.622 37.876 38.460 0.063 0.000 0.979 579 Y HN 0.500 nan 8.280 nan 0.000 0.521 580 L N -0.426 120.959 121.223 0.271 0.000 2.005 580 L HA -0.212 4.136 4.340 0.013 0.000 0.207 580 L C 2.511 179.311 176.870 -0.116 0.000 1.072 580 L CA 1.692 56.606 54.840 0.122 0.000 0.744 580 L CB -0.801 41.383 42.059 0.209 0.000 0.895 580 L HN 0.302 nan 8.230 nan 0.000 0.433 581 A N 0.208 122.749 122.820 -0.466 0.000 1.892 581 A HA -0.282 4.046 4.320 0.013 0.000 0.218 581 A C 2.217 179.645 177.584 -0.259 0.000 1.188 581 A CA 2.164 53.805 52.037 -0.660 0.000 0.631 581 A CB -0.508 17.728 19.000 -1.272 0.000 0.822 581 A HN 0.466 nan 8.150 nan 0.000 0.447 582 K N -0.488 119.836 120.400 -0.126 0.000 2.147 582 K HA -0.150 4.178 4.320 0.013 0.000 0.205 582 K C 2.032 178.664 176.600 0.052 0.000 1.049 582 K CA 1.219 57.500 56.287 -0.010 0.000 0.936 582 K CB -0.296 32.223 32.500 0.032 0.000 0.722 582 K HN 0.673 nan 8.250 nan 0.000 0.446 583 N N 1.357 120.100 118.700 0.071 0.000 2.120 583 N HA -0.151 4.597 4.740 0.013 0.000 0.188 583 N C 1.838 177.437 175.510 0.148 0.000 1.024 583 N CA 0.896 54.049 53.050 0.172 0.000 0.852 583 N CB 0.031 38.615 38.487 0.162 0.000 1.003 583 N HN 0.110 nan 8.380 nan 0.000 0.424 584 I N 1.343 121.907 120.570 -0.011 0.000 2.208 584 I HA -0.281 3.897 4.170 0.013 0.000 0.245 584 I C 2.231 178.300 176.117 -0.080 0.000 1.097 584 I CA 0.959 62.198 61.300 -0.102 0.000 1.363 584 I CB -0.260 37.599 38.000 -0.236 0.000 1.051 584 I HN 0.181 nan 8.210 nan 0.000 0.413 585 I N 0.128 120.688 120.570 -0.017 0.000 2.208 585 I HA -0.332 3.846 4.170 0.013 0.000 0.245 585 I C 2.599 178.695 176.117 -0.034 0.000 1.097 585 I CA 1.466 62.768 61.300 0.004 0.000 1.363 585 I CB -0.551 37.444 38.000 -0.009 0.000 1.051 585 I HN 0.192 nan 8.210 nan 0.000 0.413 586 F N 2.261 122.155 119.950 -0.093 0.000 2.069 586 F HA -0.271 4.265 4.527 0.014 0.000 0.298 586 F C 2.522 178.314 175.800 -0.014 0.000 1.113 586 F CA 1.387 59.371 58.000 -0.027 0.000 1.214 586 F CB -0.832 38.219 39.000 0.086 0.000 0.978 586 F HN 0.026 nan 8.300 nan 0.000 0.474 587 A N 0.875 123.571 122.820 -0.207 0.000 1.865 587 A HA -0.196 4.132 4.320 0.013 0.000 0.217 587 A C 2.404 179.612 177.584 -0.626 0.000 1.191 587 A CA 2.218 53.819 52.037 -0.728 0.000 0.623 587 A CB -1.363 17.206 19.000 -0.719 0.000 0.826 587 A HN 0.494 nan 8.150 nan 0.000 0.444 588 I N 0.177 120.481 120.570 -0.444 0.000 2.118 588 I HA -0.356 3.822 4.170 0.013 0.000 0.241 588 I C 2.377 178.267 176.117 -0.378 0.000 1.070 588 I CA 1.629 62.652 61.300 -0.461 0.000 1.327 588 I CB -0.595 37.079 38.000 -0.543 0.000 1.034 588 I HN 0.382 nan 8.210 nan 0.000 0.405 589 N N 0.862 119.377 118.700 -0.309 0.000 2.043 589 N HA -0.180 4.568 4.740 0.013 0.000 0.193 589 N C 1.830 177.204 175.510 -0.227 0.000 1.037 589 N CA 1.286 54.176 53.050 -0.267 0.000 0.851 589 N CB -0.304 37.998 38.487 -0.307 0.000 1.027 589 N HN 0.268 nan 8.380 nan 0.000 0.422 590 K N 1.169 121.404 120.400 -0.274 0.000 2.152 590 K HA -0.081 4.247 4.320 0.013 0.000 0.206 590 K C 2.113 178.623 176.600 -0.150 0.000 1.048 590 K CA 0.688 56.863 56.287 -0.187 0.000 0.933 590 K CB -0.867 31.517 32.500 -0.193 0.000 0.721 590 K HN 0.328 nan 8.250 nan 0.000 0.447 591 V N -1.512 118.193 119.914 -0.349 0.000 2.649 591 V HA 0.086 4.214 4.120 0.013 0.000 0.248 591 V C 2.183 178.101 176.094 -0.293 0.000 1.054 591 V CA 1.408 63.446 62.300 -0.437 0.000 1.073 591 V CB -0.550 30.765 31.823 -0.847 0.000 0.699 591 V HN 0.113 nan 8.190 nan 0.000 0.463 592 A N 0.804 123.468 122.820 -0.259 0.000 1.908 592 A HA -0.248 4.080 4.320 0.013 0.000 0.218 592 A C 1.934 179.440 177.584 -0.129 0.000 1.181 592 A CA 2.236 54.160 52.037 -0.187 0.000 0.627 592 A CB -0.971 17.945 19.000 -0.140 0.000 0.818 592 A HN 0.588 nan 8.150 nan 0.000 0.445 593 D N -0.255 120.093 120.400 -0.087 0.000 2.149 593 D HA -0.111 4.537 4.640 0.013 0.000 0.198 593 D C 2.111 178.398 176.300 -0.022 0.000 0.990 593 D CA 1.535 55.512 54.000 -0.037 0.000 0.839 593 D CB -0.436 40.359 40.800 -0.008 0.000 0.948 593 D HN 0.267 nan 8.370 nan 0.000 0.460 594 V N 1.226 121.141 119.914 0.001 0.000 2.261 594 V HA -0.215 3.913 4.120 0.013 0.000 0.246 594 V C 2.569 178.627 176.094 -0.061 0.000 1.047 594 V CA 1.193 63.526 62.300 0.055 0.000 1.015 594 V CB -0.453 31.532 31.823 0.270 0.000 0.642 594 V HN 0.161 nan 8.190 nan 0.000 0.446 595 I N 0.671 121.084 120.570 -0.262 0.000 2.142 595 I HA -0.213 3.965 4.170 0.013 0.000 0.240 595 I C 2.443 178.450 176.117 -0.184 0.000 1.078 595 I CA 1.627 62.659 61.300 -0.446 0.000 1.343 595 I CB -0.685 36.963 38.000 -0.585 0.000 1.046 595 I HN 0.338 nan 8.210 nan 0.000 0.405 596 N N 1.184 119.810 118.700 -0.124 0.000 2.149 596 N HA -0.165 4.583 4.740 0.013 0.000 0.188 596 N C 1.341 176.835 175.510 -0.028 0.000 1.019 596 N CA 1.254 54.268 53.050 -0.060 0.000 0.857 596 N CB -0.568 37.893 38.487 -0.044 0.000 0.997 596 N HN 0.457 nan 8.380 nan 0.000 0.426 597 N N 0.881 119.569 118.700 -0.020 0.000 2.412 597 N HA -0.064 4.684 4.740 0.013 0.000 0.184 597 N C -0.251 175.273 175.510 0.022 0.000 1.101 597 N CA 0.115 53.169 53.050 0.005 0.000 0.881 597 N CB 0.099 38.593 38.487 0.012 0.000 0.969 597 N HN 0.205 nan 8.380 nan 0.000 0.459 598 D N 2.515 122.933 120.400 0.031 0.000 2.346 598 D HA 0.032 4.680 4.640 0.013 0.000 0.260 598 D C -1.229 175.104 176.300 0.056 0.000 1.252 598 D CA -1.679 52.364 54.000 0.070 0.000 0.895 598 D CB 1.450 42.335 40.800 0.141 0.000 1.097 598 D HN 0.122 nan 8.370 nan 0.000 0.489 599 P HA -0.100 nan 4.420 nan 0.000 0.223 599 P C 1.677 179.002 177.300 0.042 0.000 1.151 599 P CA 0.588 63.711 63.100 0.037 0.000 0.787 599 P CB 0.444 32.162 31.700 0.030 0.000 0.788 600 L N -0.119 121.137 121.223 0.055 0.000 2.044 600 L HA -0.086 4.262 4.340 0.013 0.000 0.205 600 L C 2.894 179.803 176.870 0.064 0.000 1.075 600 L CA 1.484 56.356 54.840 0.055 0.000 0.747 600 L CB -1.268 40.824 42.059 0.056 0.000 0.903 600 L HN -0.074 nan 8.230 nan 0.000 0.435 601 V N -1.997 117.972 119.914 0.092 0.000 2.331 601 V HA 0.251 4.379 4.120 0.013 0.000 0.242 601 V C 1.866 177.995 176.094 0.058 0.000 1.034 601 V CA 1.004 63.361 62.300 0.095 0.000 1.027 601 V CB -1.008 30.914 31.823 0.165 0.000 0.667 601 V HN 0.491 nan 8.190 nan 0.000 0.457 602 G N 2.372 111.199 108.800 0.044 0.000 2.699 602 G HA2 -0.554 3.414 3.960 0.013 0.000 0.347 602 G HA3 -0.554 3.414 3.960 0.013 0.000 0.347 602 G C 1.002 175.915 174.900 0.022 0.000 1.225 602 G CA 1.367 46.483 45.100 0.026 0.000 0.973 602 G HN 0.949 nan 8.290 nan 0.000 0.551 603 D N 0.611 121.025 120.400 0.023 0.000 2.311 603 D HA -0.107 4.541 4.640 0.013 0.000 0.212 603 D C 1.854 178.167 176.300 0.021 0.000 0.972 603 D CA 1.487 55.500 54.000 0.022 0.000 0.887 603 D CB -0.170 40.645 40.800 0.024 0.000 0.915 603 D HN 0.403 nan 8.370 nan 0.000 0.497 604 K N -0.166 120.251 120.400 0.029 0.000 2.217 604 K HA 0.090 4.419 4.320 0.013 0.000 0.202 604 K C 0.706 177.330 176.600 0.040 0.000 1.051 604 K CA 0.106 56.412 56.287 0.032 0.000 0.952 604 K CB 0.158 32.686 32.500 0.047 0.000 0.736 604 K HN 0.262 nan 8.250 nan 0.000 0.453 605 L N 0.069 121.317 121.223 0.040 0.000 2.611 605 L HA 0.332 4.680 4.340 0.013 0.000 0.260 605 L C -1.893 174.986 176.870 0.014 0.000 0.924 605 L CA -0.302 54.570 54.840 0.053 0.000 0.901 605 L CB 1.756 43.861 42.059 0.077 0.000 1.369 605 L HN -0.254 nan 8.230 nan 0.000 0.415 606 K N 3.655 124.075 120.400 0.033 0.000 2.523 606 K HA 0.749 5.077 4.320 0.013 0.000 0.257 606 K C -1.791 174.838 176.600 0.048 0.000 0.932 606 K CA -0.644 55.642 56.287 -0.001 0.000 0.812 606 K CB 2.781 35.265 32.500 -0.027 0.000 1.326 606 K HN 0.359 nan 8.250 nan 0.000 0.433 607 V N 2.081 122.003 119.914 0.013 0.000 2.407 607 V HA 0.411 4.539 4.120 0.013 0.000 0.291 607 V C -0.751 175.378 176.094 0.058 0.000 1.018 607 V CA -0.966 61.373 62.300 0.066 0.000 0.842 607 V CB 1.839 33.654 31.823 -0.014 0.000 0.996 607 V HN 0.494 nan 8.190 nan 0.000 0.426 608 V N 6.465 126.444 119.914 0.109 0.000 2.443 608 V HA 0.629 4.757 4.120 0.013 0.000 0.293 608 V C -1.545 174.691 176.094 0.238 0.000 1.021 608 V CA -0.475 61.896 62.300 0.118 0.000 0.848 608 V CB 1.534 33.384 31.823 0.046 0.000 0.998 608 V HN 0.661 nan 8.190 nan 0.000 0.424 609 F N 7.454 127.457 119.950 0.089 0.000 2.371 609 F HA 0.576 5.111 4.527 0.013 0.000 0.363 609 F C -0.171 175.789 175.800 0.266 0.000 1.122 609 F CA -1.347 56.740 58.000 0.144 0.000 1.129 609 F CB 1.081 39.992 39.000 -0.148 0.000 1.173 609 F HN 0.446 nan 8.300 nan 0.000 0.489 610 L N 8.780 130.393 121.223 0.649 0.000 2.315 610 L HA 0.295 4.643 4.340 0.013 0.000 0.283 610 L C -1.934 175.223 176.870 0.478 0.000 1.089 610 L CA -1.828 53.275 54.840 0.438 0.000 0.833 610 L CB 0.814 43.053 42.059 0.299 0.000 1.170 610 L HN 0.427 nan 8.230 nan 0.000 0.442 611 P HA 0.023 nan 4.420 nan 0.000 0.276 611 P C -0.469 176.797 177.300 -0.057 0.000 1.230 611 P CA 0.017 62.995 63.100 -0.205 0.000 0.776 611 P CB 0.971 32.321 31.700 -0.584 0.000 0.888 612 D N 0.855 121.215 120.400 -0.066 0.000 2.872 612 D HA -0.231 4.418 4.640 0.013 0.000 0.248 612 D C -0.999 175.362 176.300 0.102 0.000 1.104 612 D CA 0.453 54.440 54.000 -0.023 0.000 0.784 612 D CB -2.002 38.762 40.800 -0.060 0.000 1.036 612 D HN 0.359 nan 8.370 nan 0.000 0.426 613 Y N 1.535 121.875 120.300 0.067 0.000 2.544 613 Y HA 0.332 4.890 4.550 0.013 0.000 0.330 613 Y C 0.728 176.661 175.900 0.056 0.000 1.136 613 Y CA -0.049 58.118 58.100 0.111 0.000 1.417 613 Y CB 0.075 38.624 38.460 0.149 0.000 1.229 613 Y HN 0.449 nan 8.280 nan 0.000 0.532 614 C N 3.288 122.319 119.300 -0.449 0.000 3.340 614 C HA 0.516 4.984 4.460 0.013 0.000 0.333 614 C C 1.216 175.959 174.990 -0.412 0.000 1.464 614 C CA -0.628 58.155 59.018 -0.391 0.000 1.337 614 C CB 0.763 28.405 27.740 -0.164 0.000 1.740 614 C HN 0.638 nan 8.230 nan 0.000 0.450 615 V N 1.501 121.295 119.914 -0.200 0.000 2.287 615 V HA -0.190 3.938 4.120 0.013 0.000 0.248 615 V C 2.634 178.708 176.094 -0.033 0.000 1.053 615 V CA 3.024 65.309 62.300 -0.024 0.000 1.027 615 V CB -0.951 30.871 31.823 -0.002 0.000 0.646 615 V HN 0.980 nan 8.190 nan 0.000 0.447 616 S N -0.145 115.504 115.700 -0.085 0.000 2.419 616 S HA -0.146 4.332 4.470 0.013 0.000 0.233 616 S C 2.082 176.629 174.600 -0.089 0.000 1.016 616 S CA 1.323 59.470 58.200 -0.089 0.000 0.974 616 S CB -0.364 62.790 63.200 -0.076 0.000 0.786 616 S HN 0.676 nan 8.310 nan 0.000 0.492 617 A N 1.380 124.174 122.820 -0.043 0.000 1.898 617 A HA 0.361 4.689 4.320 0.013 0.000 0.214 617 A C 2.351 180.002 177.584 0.112 0.000 1.183 617 A CA 1.220 53.294 52.037 0.062 0.000 0.622 617 A CB -1.017 18.102 19.000 0.198 0.000 0.824 617 A HN 0.476 nan 8.150 nan 0.000 0.444 618 A N 0.243 123.115 122.820 0.086 0.000 1.908 618 A HA -0.223 4.105 4.320 0.013 0.000 0.218 618 A C 1.840 179.613 177.584 0.315 0.000 1.181 618 A CA 1.780 53.979 52.037 0.270 0.000 0.627 618 A CB -0.624 18.528 19.000 0.254 0.000 0.818 618 A HN 0.623 nan 8.150 nan 0.000 0.445 619 E N -1.017 119.345 120.200 0.270 0.000 2.333 619 E HA -0.175 4.184 4.350 0.013 0.000 0.198 619 E C 1.911 178.535 176.600 0.041 0.000 1.007 619 E CA 1.231 57.725 56.400 0.157 0.000 0.845 619 E CB -0.028 29.643 29.700 -0.048 0.000 0.766 619 E HN 0.610 nan 8.360 nan 0.000 0.507 620 K N 0.021 120.404 120.400 -0.028 0.000 2.168 620 K HA 0.049 4.377 4.320 0.013 0.000 0.201 620 K C 1.842 178.467 176.600 0.041 0.000 1.049 620 K CA 0.254 56.468 56.287 -0.123 0.000 0.974 620 K CB 0.297 32.496 32.500 -0.501 0.000 0.792 620 K HN -0.016 nan 8.250 nan 0.000 0.463 621 L N 0.471 121.772 121.223 0.130 0.000 1.993 621 L HA -0.068 4.280 4.340 0.013 0.000 0.206 621 L C 2.168 179.126 176.870 0.148 0.000 1.074 621 L CA 1.041 55.987 54.840 0.177 0.000 0.746 621 L CB -0.550 41.642 42.059 0.221 0.000 0.896 621 L HN 0.105 nan 8.230 nan 0.000 0.435 622 I N 0.298 120.957 120.570 0.148 0.000 2.147 622 I HA -0.292 3.886 4.170 0.013 0.000 0.245 622 I C -0.532 175.644 176.117 0.098 0.000 1.059 622 I CA 1.768 63.137 61.300 0.116 0.000 1.320 622 I CB -1.508 36.573 38.000 0.134 0.000 1.021 622 I HN 0.249 nan 8.210 nan 0.000 0.415 623 P HA -0.030 nan 4.420 nan 0.000 0.242 623 P C 0.517 177.840 177.300 0.039 0.000 1.197 623 P CA 1.001 64.132 63.100 0.052 0.000 0.765 623 P CB 0.175 31.897 31.700 0.036 0.000 0.936 624 A N -1.327 121.543 122.820 0.083 0.000 2.508 624 A HA 0.566 4.894 4.320 0.013 0.000 0.250 624 A C 1.020 178.671 177.584 0.111 0.000 1.208 624 A CA -0.003 52.082 52.037 0.080 0.000 0.960 624 A CB -0.232 18.872 19.000 0.172 0.000 1.099 624 A HN 0.148 nan 8.150 nan 0.000 0.542 625 A N 0.531 123.429 122.820 0.130 0.000 2.488 625 A HA 0.413 4.741 4.320 0.013 0.000 0.249 625 A C 0.418 178.083 177.584 0.134 0.000 1.083 625 A CA 0.139 52.256 52.037 0.133 0.000 0.768 625 A CB 0.173 19.226 19.000 0.087 0.000 1.017 625 A HN 0.352 nan 8.150 nan 0.000 0.496 626 D N 1.236 121.727 120.400 0.152 0.000 2.320 626 D HA 0.076 4.724 4.640 0.013 0.000 0.228 626 D C 0.288 176.756 176.300 0.280 0.000 0.978 626 D CA 0.922 55.094 54.000 0.286 0.000 0.905 626 D CB 0.128 41.059 40.800 0.217 0.000 1.051 626 D HN 0.390 nan 8.370 nan 0.000 0.471 627 I N 1.450 122.095 120.570 0.125 0.000 2.336 627 I HA 0.075 4.253 4.170 0.013 0.000 0.292 627 I C 0.310 176.440 176.117 0.021 0.000 0.991 627 I CA -0.270 61.071 61.300 0.069 0.000 1.227 627 I CB 1.399 39.377 38.000 -0.037 0.000 1.366 627 I HN -0.194 nan 8.210 nan 0.000 0.466 628 S N 6.909 122.630 115.700 0.034 0.000 2.592 628 S HA 0.182 4.660 4.470 0.013 0.000 0.305 628 S C 0.133 174.740 174.600 0.012 0.000 1.118 628 S CA -0.615 57.589 58.200 0.007 0.000 1.075 628 S CB -0.171 63.033 63.200 0.006 0.000 1.107 628 S HN 0.386 nan 8.310 nan 0.000 0.503 629 E N 3.481 123.672 120.200 -0.015 0.000 2.328 629 E HA 0.066 4.424 4.350 0.013 0.000 0.265 629 E C -0.040 176.554 176.600 -0.010 0.000 1.057 629 E CA 0.227 56.634 56.400 0.012 0.000 0.916 629 E CB 0.551 30.226 29.700 -0.041 0.000 0.993 629 E HN 0.643 nan 8.360 nan 0.000 0.446 630 Q N 2.399 122.219 119.800 0.033 0.000 2.366 630 Q HA 0.171 4.519 4.340 0.013 0.000 0.356 630 Q C 0.655 176.652 176.000 -0.005 0.000 0.866 630 Q CA -0.103 55.694 55.803 -0.009 0.000 1.109 630 Q CB 0.066 28.789 28.738 -0.025 0.000 1.361 630 Q HN 0.600 nan 8.270 nan 0.000 0.404 631 I N -1.079 119.496 120.570 0.008 0.000 3.539 631 I HA 0.136 4.314 4.170 0.013 0.000 0.297 631 I C 0.666 176.745 176.117 -0.063 0.000 1.284 631 I CA -0.227 61.071 61.300 -0.003 0.000 1.355 631 I CB -0.518 37.405 38.000 -0.129 0.000 1.144 631 I HN -0.071 nan 8.210 nan 0.000 0.495 632 S N 1.118 116.782 115.700 -0.059 0.000 2.626 632 S HA 0.235 4.713 4.470 0.013 0.000 0.257 632 S C 0.496 175.078 174.600 -0.030 0.000 1.288 632 S CA -0.407 57.783 58.200 -0.017 0.000 0.980 632 S CB 0.705 63.920 63.200 0.025 0.000 0.975 632 S HN 0.415 nan 8.310 nan 0.000 0.577 633 T N 2.017 116.589 114.554 0.030 0.000 2.728 633 T HA 0.568 4.926 4.350 0.013 0.000 0.296 633 T C 0.446 175.146 174.700 0.001 0.000 0.940 633 T CA 0.041 62.169 62.100 0.046 0.000 1.013 633 T CB 0.316 69.311 68.868 0.211 0.000 0.912 633 T HN 0.971 nan 8.240 nan 0.000 0.484 634 A N 2.838 125.632 122.820 -0.044 0.000 2.592 634 A HA 0.411 4.739 4.320 0.013 0.000 0.250 634 A C 1.563 179.122 177.584 -0.041 0.000 1.017 634 A CA 0.515 52.518 52.037 -0.057 0.000 0.794 634 A CB -0.876 18.089 19.000 -0.059 0.000 0.917 634 A HN 1.714 nan 8.150 nan 0.000 0.515 635 G N 2.090 110.861 108.800 -0.049 0.000 2.149 635 G HA2 -0.186 3.782 3.960 0.013 0.000 0.235 635 G HA3 -0.186 3.782 3.960 0.013 0.000 0.235 635 G C 0.560 175.416 174.900 -0.073 0.000 1.018 635 G CA 0.591 45.664 45.100 -0.045 0.000 0.728 635 G HN 0.762 nan 8.290 nan 0.000 0.508 636 K N -0.704 119.620 120.400 -0.126 0.000 2.556 636 K HA 0.163 4.491 4.320 0.013 0.000 0.201 636 K C 0.650 176.975 176.600 -0.458 0.000 1.423 636 K CA 0.242 56.347 56.287 -0.303 0.000 1.010 636 K CB 0.451 32.789 32.500 -0.271 0.000 1.409 636 K HN 0.349 nan 8.250 nan 0.000 0.538 637 E N 1.921 121.983 120.200 -0.231 0.000 1.996 637 E HA 0.298 4.656 4.350 0.013 0.000 0.280 637 E C 0.705 177.214 176.600 -0.153 0.000 1.092 637 E CA -0.050 56.269 56.400 -0.134 0.000 0.862 637 E CB 1.028 30.716 29.700 -0.020 0.000 1.066 637 E HN 0.213 nan 8.360 nan 0.000 0.396 638 A N 3.360 126.038 122.820 -0.237 0.000 1.948 638 A HA -0.193 4.135 4.320 0.013 0.000 0.220 638 A C 1.933 179.355 177.584 -0.270 0.000 1.177 638 A CA 2.120 53.912 52.037 -0.408 0.000 0.636 638 A CB -0.163 18.346 19.000 -0.820 0.000 0.815 638 A HN 0.605 nan 8.150 nan 0.000 0.449 639 S N -4.030 111.566 115.700 -0.172 0.000 5.084 639 S HA 0.452 4.930 4.470 0.013 0.000 0.156 639 S C 0.542 175.086 174.600 -0.092 0.000 1.073 639 S CA 1.364 59.502 58.200 -0.104 0.000 1.336 639 S CB -0.074 63.076 63.200 -0.083 0.000 1.919 639 S HN 2.251 nan 8.310 nan 0.000 0.624 640 G N 0.586 109.338 108.800 -0.080 0.000 2.895 640 G HA2 -0.012 3.956 3.960 0.013 0.000 0.686 640 G HA3 -0.012 3.956 3.960 0.013 0.000 0.686 640 G C 0.143 174.974 174.900 -0.114 0.000 1.108 640 G CA 0.413 45.462 45.100 -0.085 0.000 0.761 640 G HN 1.309 nan 8.290 nan 0.000 0.611 641 T N -0.899 113.581 114.554 -0.122 0.000 3.009 641 T HA 0.405 4.763 4.350 0.013 0.000 0.267 641 T C 2.184 176.750 174.700 -0.223 0.000 0.942 641 T CA 1.140 63.145 62.100 -0.160 0.000 0.883 641 T CB 0.788 69.574 68.868 -0.135 0.000 1.192 641 T HN 1.702 nan 8.240 nan 0.000 0.524 642 G N 2.963 111.645 108.800 -0.197 0.000 2.421 642 G HA2 -0.159 3.809 3.960 0.013 0.000 0.217 642 G HA3 -0.159 3.809 3.960 0.013 0.000 0.217 642 G C 1.454 176.241 174.900 -0.189 0.000 1.143 642 G CA 0.936 45.905 45.100 -0.219 0.000 0.784 642 G HN 0.656 nan 8.290 nan 0.000 0.541 643 N N 1.184 119.783 118.700 -0.167 0.000 2.149 643 N HA -0.163 4.585 4.740 0.013 0.000 0.188 643 N C 1.996 177.399 175.510 -0.179 0.000 1.019 643 N CA 1.696 54.652 53.050 -0.157 0.000 0.857 643 N CB -0.572 37.812 38.487 -0.171 0.000 0.997 643 N HN 0.378 nan 8.380 nan 0.000 0.426 644 M N 0.012 119.476 119.600 -0.228 0.000 2.229 644 M HA -0.001 4.487 4.480 0.013 0.000 0.264 644 M C 1.781 178.025 176.300 -0.094 0.000 1.063 644 M CA 1.380 56.562 55.300 -0.196 0.000 1.114 644 M CB -0.192 32.295 32.600 -0.189 0.000 1.387 644 M HN 0.147 nan 8.290 nan 0.000 0.420 645 K N 0.749 121.053 120.400 -0.160 0.000 2.007 645 K HA -0.023 4.305 4.320 0.013 0.000 0.206 645 K C 1.885 178.461 176.600 -0.040 0.000 1.047 645 K CA 1.106 57.316 56.287 -0.129 0.000 0.937 645 K CB -0.346 31.939 32.500 -0.360 0.000 0.718 645 K HN 0.232 nan 8.250 nan 0.000 0.438 646 L N 0.974 122.159 121.223 -0.064 0.000 2.079 646 L HA -0.224 4.124 4.340 0.013 0.000 0.210 646 L C 2.592 179.466 176.870 0.006 0.000 1.081 646 L CA 1.095 55.925 54.840 -0.016 0.000 0.752 646 L CB -0.567 41.474 42.059 -0.030 0.000 0.896 646 L HN 0.273 nan 8.230 nan 0.000 0.433 647 A N 0.239 123.052 122.820 -0.012 0.000 1.832 647 A HA -0.167 4.161 4.320 0.013 0.000 0.214 647 A C 2.154 179.770 177.584 0.052 0.000 1.200 647 A CA 1.344 53.389 52.037 0.012 0.000 0.610 647 A CB -0.871 18.122 19.000 -0.011 0.000 0.842 647 A HN 0.326 nan 8.150 nan 0.000 0.444 648 L N 0.228 121.490 121.223 0.065 0.000 2.263 648 L HA -0.205 4.143 4.340 0.013 0.000 0.216 648 L C 1.692 178.603 176.870 0.069 0.000 1.111 648 L CA 1.038 55.928 54.840 0.083 0.000 0.773 648 L CB -0.476 41.644 42.059 0.102 0.000 0.906 648 L HN 0.438 nan 8.230 nan 0.000 0.439 649 N N -0.322 118.415 118.700 0.060 0.000 2.336 649 N HA 0.061 4.809 4.740 0.013 0.000 0.189 649 N C 1.080 176.614 175.510 0.040 0.000 1.113 649 N CA 0.978 54.047 53.050 0.032 0.000 0.858 649 N CB 1.000 39.508 38.487 0.036 0.000 0.970 649 N HN 0.387 nan 8.380 nan 0.000 0.471 650 G N 0.251 109.123 108.800 0.120 0.000 2.186 650 G HA2 -0.051 3.917 3.960 0.013 0.000 0.130 650 G HA3 -0.051 3.917 3.960 0.013 0.000 0.130 650 G C -0.347 174.635 174.900 0.138 0.000 1.031 650 G CA -0.088 45.133 45.100 0.201 0.000 0.697 650 G HN 0.460 nan 8.290 nan 0.000 0.494 651 A N 0.605 123.474 122.820 0.083 0.000 2.331 651 A HA 0.826 5.154 4.320 0.013 0.000 0.320 651 A C -0.120 177.477 177.584 0.021 0.000 1.138 651 A CA -0.686 51.398 52.037 0.077 0.000 0.790 651 A CB 1.160 20.205 19.000 0.075 0.000 1.206 651 A HN 0.589 nan 8.150 nan 0.000 0.470 652 L N 2.150 123.368 121.223 -0.007 0.000 2.349 652 L HA 0.394 4.742 4.340 0.013 0.000 0.275 652 L C 0.732 177.654 176.870 0.086 0.000 1.115 652 L CA 0.465 55.299 54.840 -0.010 0.000 0.820 652 L CB 0.727 42.716 42.059 -0.117 0.000 1.135 652 L HN 0.726 nan 8.230 nan 0.000 0.445 653 T N 2.909 117.532 114.554 0.116 0.000 2.845 653 T HA 0.416 4.775 4.350 0.013 0.000 0.288 653 T C 0.329 175.174 174.700 0.240 0.000 0.980 653 T CA -0.300 61.877 62.100 0.129 0.000 1.071 653 T CB 1.408 70.319 68.868 0.072 0.000 0.941 653 T HN 0.285 nan 8.240 nan 0.000 0.487 654 V N 3.483 123.534 119.914 0.227 0.000 2.225 654 V HA 0.589 4.717 4.120 0.013 0.000 0.264 654 V C 0.670 177.073 176.094 0.515 0.000 1.067 654 V CA -0.505 62.010 62.300 0.357 0.000 0.903 654 V CB 0.439 32.369 31.823 0.178 0.000 1.136 654 V HN 1.039 nan 8.190 nan 0.000 0.456 655 G N 1.497 110.518 108.800 0.368 0.000 2.630 655 G HA2 0.717 4.686 3.960 0.013 0.000 0.296 655 G HA3 0.717 4.686 3.960 0.013 0.000 0.296 655 G C -0.190 174.548 174.900 -0.270 0.000 1.285 655 G CA -0.252 44.913 45.100 0.110 0.000 0.958 655 G HN 0.461 nan 8.290 nan 0.000 0.479 656 T N -1.760 112.525 114.554 -0.449 0.000 2.862 656 T HA 0.547 4.905 4.350 0.013 0.000 0.276 656 T C 0.321 174.869 174.700 -0.253 0.000 0.974 656 T CA -0.734 61.044 62.100 -0.537 0.000 0.966 656 T CB 1.116 69.684 68.868 -0.499 0.000 1.072 656 T HN 0.288 nan 8.240 nan 0.000 0.538 657 L N 2.074 123.176 121.223 -0.202 0.000 2.401 657 L HA 0.431 4.779 4.340 0.013 0.000 0.283 657 L C -0.289 176.526 176.870 -0.092 0.000 1.151 657 L CA 0.185 54.956 54.840 -0.115 0.000 0.942 657 L CB -0.520 41.488 42.059 -0.085 0.000 1.283 657 L HN 0.790 nan 8.230 nan 0.000 0.442 658 D N 1.617 121.968 120.400 -0.082 0.000 2.706 658 D HA 0.504 5.152 4.640 0.013 0.000 0.227 658 D C 0.204 176.469 176.300 -0.058 0.000 1.233 658 D CA 0.770 54.731 54.000 -0.064 0.000 0.768 658 D CB 1.654 42.410 40.800 -0.074 0.000 1.490 658 D HN 0.498 nan 8.370 nan 0.000 0.458 659 G N 1.310 110.087 108.800 -0.039 0.000 2.581 659 G HA2 -0.119 3.849 3.960 0.013 0.000 0.291 659 G HA3 -0.119 3.849 3.960 0.013 0.000 0.291 659 G C 1.223 176.100 174.900 -0.038 0.000 1.277 659 G CA 1.034 46.110 45.100 -0.040 0.000 0.959 659 G HN 1.307 nan 8.290 nan 0.000 0.554 660 A N -0.575 122.203 122.820 -0.070 0.000 2.024 660 A HA -0.101 4.227 4.320 0.013 0.000 0.220 660 A C 2.255 179.756 177.584 -0.139 0.000 1.164 660 A CA 2.238 54.208 52.037 -0.111 0.000 0.643 660 A CB -0.549 18.306 19.000 -0.242 0.000 0.806 660 A HN 0.698 nan 8.150 nan 0.000 0.451 661 N N 0.301 118.928 118.700 -0.121 0.000 2.091 661 N HA -0.177 4.572 4.740 0.013 0.000 0.193 661 N C 1.765 177.243 175.510 -0.053 0.000 1.021 661 N CA 1.863 54.854 53.050 -0.099 0.000 0.862 661 N CB -0.421 38.014 38.487 -0.087 0.000 1.018 661 N HN 0.322 nan 8.380 nan 0.000 0.429 662 V N 1.681 121.575 119.914 -0.033 0.000 2.287 662 V HA -0.221 3.907 4.120 0.013 0.000 0.248 662 V C 2.067 178.182 176.094 0.034 0.000 1.053 662 V CA 1.729 64.026 62.300 -0.005 0.000 1.027 662 V CB -0.508 31.316 31.823 0.001 0.000 0.646 662 V HN 0.349 nan 8.190 nan 0.000 0.447 663 E N -0.303 119.942 120.200 0.075 0.000 2.152 663 E HA -0.111 4.248 4.350 0.013 0.000 0.192 663 E C 2.197 178.968 176.600 0.284 0.000 0.983 663 E CA 1.106 57.624 56.400 0.196 0.000 0.818 663 E CB -0.139 29.756 29.700 0.325 0.000 0.758 663 E HN 0.558 nan 8.360 nan 0.000 0.467 664 I N 1.211 121.864 120.570 0.139 0.000 2.179 664 I HA -0.263 3.915 4.170 0.013 0.000 0.242 664 I C 2.574 178.750 176.117 0.098 0.000 1.088 664 I CA 0.948 62.321 61.300 0.121 0.000 1.357 664 I CB -0.338 37.595 38.000 -0.112 0.000 1.051 664 I HN 0.092 nan 8.210 nan 0.000 0.409 665 A N 0.448 123.292 122.820 0.040 0.000 1.902 665 A HA -0.276 4.052 4.320 0.013 0.000 0.217 665 A C 2.327 179.924 177.584 0.022 0.000 1.181 665 A CA 1.976 54.024 52.037 0.017 0.000 0.623 665 A CB -0.707 18.293 19.000 -0.001 0.000 0.818 665 A HN 0.553 nan 8.150 nan 0.000 0.443 666 E N -0.422 119.802 120.200 0.040 0.000 2.153 666 E HA -0.231 4.128 4.350 0.013 0.000 0.194 666 E C 1.647 178.265 176.600 0.031 0.000 0.988 666 E CA 1.253 57.671 56.400 0.030 0.000 0.811 666 E CB -0.028 29.696 29.700 0.039 0.000 0.746 666 E HN 0.412 nan 8.360 nan 0.000 0.466 667 K N 0.468 120.908 120.400 0.068 0.000 2.020 667 K HA -0.058 4.270 4.320 0.013 0.000 0.206 667 K C 2.409 179.027 176.600 0.030 0.000 1.038 667 K CA 1.304 57.623 56.287 0.053 0.000 0.947 667 K CB -0.843 31.723 32.500 0.110 0.000 0.744 667 K HN 0.265 nan 8.250 nan 0.000 0.442 668 V N -0.870 119.070 119.914 0.043 0.000 2.867 668 V HA 0.085 4.213 4.120 0.013 0.000 0.260 668 V C 0.781 176.858 176.094 -0.028 0.000 1.099 668 V CA 0.903 63.206 62.300 0.004 0.000 1.122 668 V CB -1.549 30.275 31.823 0.002 0.000 0.708 668 V HN 0.454 nan 8.190 nan 0.000 0.490 669 G N 1.697 110.483 108.800 -0.024 0.000 3.295 669 G HA2 -0.141 3.827 3.960 0.013 0.000 0.686 669 G HA3 -0.141 3.827 3.960 0.013 0.000 0.686 669 G C 0.027 174.888 174.900 -0.064 0.000 0.958 669 G CA 0.274 45.349 45.100 -0.041 0.000 0.787 669 G HN 1.071 nan 8.290 nan 0.000 0.523 670 E N 1.127 121.289 120.200 -0.063 0.000 2.324 670 E HA -0.250 4.108 4.350 0.013 0.000 0.205 670 E C 1.584 178.101 176.600 -0.139 0.000 1.031 670 E CA 2.425 58.772 56.400 -0.088 0.000 0.836 670 E CB -0.186 29.474 29.700 -0.067 0.000 0.742 670 E HN 0.825 nan 8.360 nan 0.000 0.491 671 E N 0.337 120.461 120.200 -0.127 0.000 2.358 671 E HA -0.006 4.352 4.350 0.013 0.000 0.195 671 E C 0.437 176.915 176.600 -0.205 0.000 1.010 671 E CA 0.875 57.184 56.400 -0.152 0.000 0.856 671 E CB -0.010 29.625 29.700 -0.107 0.000 0.795 671 E HN 0.381 nan 8.360 nan 0.000 0.504 672 N N 0.504 119.090 118.700 -0.189 0.000 2.401 672 N HA 0.260 5.009 4.740 0.013 0.000 0.264 672 N C -0.588 174.809 175.510 -0.190 0.000 1.238 672 N CA 0.042 52.971 53.050 -0.200 0.000 0.889 672 N CB 1.430 39.830 38.487 -0.145 0.000 1.196 672 N HN 0.123 nan 8.380 nan 0.000 0.511 673 I N -0.668 119.745 120.570 -0.261 0.000 2.908 673 I HA 0.377 4.555 4.170 0.013 0.000 0.300 673 I C -1.636 174.352 176.117 -0.216 0.000 1.385 673 I CA -0.810 60.422 61.300 -0.113 0.000 1.004 673 I CB 1.923 39.908 38.000 -0.025 0.000 1.309 673 I HN -0.257 nan 8.210 nan 0.000 0.449 674 F N 7.245 127.228 119.950 0.054 0.000 2.363 674 F HA 0.446 4.981 4.527 0.013 0.000 0.366 674 F C -0.033 175.892 175.800 0.209 0.000 1.083 674 F CA -0.566 57.505 58.000 0.119 0.000 1.176 674 F CB 0.427 39.504 39.000 0.128 0.000 1.432 674 F HN 0.028 nan 8.300 nan 0.000 0.482 675 I N 3.191 123.911 120.570 0.249 0.000 2.713 675 I HA 0.453 4.631 4.170 0.013 0.000 0.300 675 I C 0.075 176.359 176.117 0.278 0.000 1.009 675 I CA -0.762 60.635 61.300 0.162 0.000 1.305 675 I CB 0.696 38.710 38.000 0.023 0.000 1.430 675 I HN 0.475 nan 8.210 nan 0.000 0.546 676 F N 0.259 120.252 119.950 0.071 0.000 3.122 676 F HA 0.726 5.262 4.527 0.014 0.000 0.325 676 F C -0.034 175.789 175.800 0.039 0.000 1.162 676 F CA -0.433 57.604 58.000 0.063 0.000 0.876 676 F CB 0.579 39.646 39.000 0.113 0.000 1.429 676 F HN 0.862 nan 8.300 nan 0.000 0.484 677 G N 0.418 109.350 108.800 0.220 0.000 2.796 677 G HA2 0.006 3.974 3.960 0.013 0.000 0.226 677 G HA3 0.006 3.974 3.960 0.013 0.000 0.226 677 G C -1.387 173.484 174.900 -0.048 0.000 1.381 677 G CA -0.211 44.952 45.100 0.105 0.000 0.867 677 G HN 1.250 nan 8.290 nan 0.000 0.552 678 H N 0.358 119.408 119.070 -0.033 0.000 2.652 678 H HA 0.538 5.102 4.556 0.013 0.000 0.349 678 H C 1.435 176.719 175.328 -0.073 0.000 1.099 678 H CA 0.634 56.657 56.048 -0.040 0.000 1.417 678 H CB 0.945 30.669 29.762 -0.064 0.000 1.457 678 H HN 0.895 nan 8.280 nan 0.000 0.568 679 T N -1.224 113.352 114.554 0.037 0.000 2.770 679 T HA 0.107 4.465 4.350 0.013 0.000 0.281 679 T C 1.550 176.251 174.700 0.003 0.000 0.981 679 T CA -0.600 61.496 62.100 -0.006 0.000 0.955 679 T CB 0.532 69.391 68.868 -0.014 0.000 1.060 679 T HN 0.270 nan 8.240 nan 0.000 0.531 680 V N 1.181 121.085 119.914 -0.017 0.000 2.282 680 V HA -0.140 3.988 4.120 0.013 0.000 0.249 680 V C 2.961 179.045 176.094 -0.016 0.000 1.057 680 V CA 1.812 64.100 62.300 -0.021 0.000 1.032 680 V CB -0.864 30.944 31.823 -0.024 0.000 0.645 680 V HN 0.830 nan 8.190 nan 0.000 0.447 681 K N -0.261 120.135 120.400 -0.006 0.000 2.097 681 K HA -0.139 4.190 4.320 0.013 0.000 0.205 681 K C 2.283 178.889 176.600 0.011 0.000 1.050 681 K CA 1.404 57.690 56.287 -0.002 0.000 0.938 681 K CB -0.288 32.212 32.500 0.002 0.000 0.718 681 K HN 0.589 nan 8.250 nan 0.000 0.442 682 Q N 0.063 119.884 119.800 0.034 0.000 2.061 682 Q HA -0.139 4.209 4.340 0.013 0.000 0.204 682 Q C 2.153 178.168 176.000 0.025 0.000 0.984 682 Q CA 1.467 57.317 55.803 0.079 0.000 0.846 682 Q CB -0.169 28.671 28.738 0.169 0.000 0.902 682 Q HN 0.033 nan 8.270 nan 0.000 0.421 683 V N 1.454 121.358 119.914 -0.017 0.000 2.255 683 V HA -0.317 3.811 4.120 0.013 0.000 0.247 683 V C 2.143 178.173 176.094 -0.106 0.000 1.051 683 V CA 2.011 64.243 62.300 -0.112 0.000 1.018 683 V CB -0.454 31.313 31.823 -0.094 0.000 0.641 683 V HN 0.341 nan 8.190 nan 0.000 0.445 684 K N -0.041 120.323 120.400 -0.060 0.000 2.032 684 K HA -0.189 4.139 4.320 0.013 0.000 0.209 684 K C 2.308 178.888 176.600 -0.033 0.000 1.048 684 K CA 1.552 57.810 56.287 -0.048 0.000 0.927 684 K CB -0.534 31.946 32.500 -0.033 0.000 0.712 684 K HN 0.484 nan 8.250 nan 0.000 0.441 685 A N 1.933 124.744 122.820 -0.015 0.000 1.859 685 A HA -0.229 4.099 4.320 0.013 0.000 0.217 685 A C 2.197 179.788 177.584 0.012 0.000 1.198 685 A CA 1.772 53.813 52.037 0.007 0.000 0.629 685 A CB -0.897 18.120 19.000 0.029 0.000 0.830 685 A HN 0.221 nan 8.150 nan 0.000 0.446 686 I N -0.310 120.256 120.570 -0.005 0.000 2.113 686 I HA -0.340 3.838 4.170 0.013 0.000 0.242 686 I C 2.473 178.608 176.117 0.029 0.000 1.064 686 I CA 1.682 62.986 61.300 0.006 0.000 1.320 686 I CB -0.524 37.390 38.000 -0.143 0.000 1.028 686 I HN 0.332 nan 8.210 nan 0.000 0.406 687 L N 0.476 121.682 121.223 -0.029 0.000 2.042 687 L HA -0.237 4.111 4.340 0.013 0.000 0.210 687 L C 2.807 179.698 176.870 0.035 0.000 1.076 687 L CA 1.459 56.306 54.840 0.013 0.000 0.749 687 L CB -0.766 41.270 42.059 -0.039 0.000 0.893 687 L HN 0.283 nan 8.230 nan 0.000 0.432 688 A N 0.065 122.896 122.820 0.018 0.000 1.969 688 A HA -0.161 4.167 4.320 0.013 0.000 0.218 688 A C 2.102 179.708 177.584 0.036 0.000 1.169 688 A CA 1.261 53.310 52.037 0.020 0.000 0.635 688 A CB -0.278 18.728 19.000 0.010 0.000 0.810 688 A HN 0.359 nan 8.150 nan 0.000 0.445 689 K N -0.474 119.959 120.400 0.055 0.000 2.551 689 K HA 0.278 4.607 4.320 0.013 0.000 0.192 689 K C 0.506 177.157 176.600 0.086 0.000 1.027 689 K CA 0.368 56.695 56.287 0.068 0.000 1.059 689 K CB -0.241 32.310 32.500 0.084 0.000 0.831 689 K HN 0.619 nan 8.250 nan 0.000 0.508 690 G N 2.345 111.199 108.800 0.090 0.000 2.815 690 G HA2 -0.294 3.674 3.960 0.013 0.000 0.234 690 G HA3 -0.294 3.674 3.960 0.013 0.000 0.234 690 G C -0.863 174.135 174.900 0.163 0.000 0.971 690 G CA -0.598 44.558 45.100 0.094 0.000 1.124 690 G HN 0.341 nan 8.290 nan 0.000 0.435 691 Y N 2.501 122.822 120.300 0.036 0.000 2.402 691 Y HA 0.547 5.105 4.550 0.013 0.000 0.333 691 Y C -0.029 175.916 175.900 0.076 0.000 1.076 691 Y CA -1.213 56.925 58.100 0.064 0.000 1.299 691 Y CB 1.604 40.053 38.460 -0.019 0.000 1.197 691 Y HN 0.405 nan 8.280 nan 0.000 0.517 692 D N 9.461 129.765 120.400 -0.159 0.000 2.446 692 D HA 0.272 4.920 4.640 0.013 0.000 0.251 692 D C -1.977 174.149 176.300 -0.290 0.000 1.137 692 D CA -2.473 51.382 54.000 -0.242 0.000 0.890 692 D CB 1.677 42.464 40.800 -0.022 0.000 1.071 692 D HN 0.361 nan 8.370 nan 0.000 0.528 693 P HA -0.184 nan 4.420 nan 0.000 0.215 693 P C 1.576 178.876 177.300 0.000 0.000 1.157 693 P CA 0.678 63.560 63.100 -0.364 0.000 0.874 693 P CB 0.494 31.990 31.700 -0.340 0.000 0.790 694 V N 1.022 120.915 119.914 -0.035 0.000 2.332 694 V HA -0.238 3.890 4.120 0.013 0.000 0.248 694 V C 2.730 178.862 176.094 0.063 0.000 1.055 694 V CA 1.911 64.220 62.300 0.015 0.000 1.038 694 V CB -1.203 30.611 31.823 -0.015 0.000 0.651 694 V HN 0.148 nan 8.190 nan 0.000 0.450 695 K N -1.258 119.186 120.400 0.074 0.000 2.063 695 K HA -0.237 4.091 4.320 0.013 0.000 0.208 695 K C 1.990 178.640 176.600 0.084 0.000 1.048 695 K CA 2.170 58.488 56.287 0.052 0.000 0.928 695 K CB -0.316 32.198 32.500 0.023 0.000 0.713 695 K HN 0.537 nan 8.250 nan 0.000 0.442 696 W N 1.285 122.602 121.300 0.027 0.000 2.388 696 W HA -0.061 4.607 4.660 0.014 0.000 0.294 696 W C 2.407 178.960 176.519 0.057 0.000 1.212 696 W CA 0.853 58.247 57.345 0.081 0.000 1.271 696 W CB -0.215 29.337 29.460 0.154 0.000 1.126 696 W HN 0.107 nan 8.180 nan 0.000 0.535 697 R N 1.049 121.702 120.500 0.256 0.000 2.070 697 R HA -0.181 4.167 4.340 0.013 0.000 0.233 697 R C 2.016 178.364 176.300 0.081 0.000 1.137 697 R CA 1.510 57.685 56.100 0.125 0.000 0.945 697 R CB -0.376 29.960 30.300 0.060 0.000 0.845 697 R HN -0.050 nan 8.270 nan 0.000 0.430 698 K N 0.850 121.286 120.400 0.061 0.000 2.152 698 K HA -0.124 4.204 4.320 0.013 0.000 0.206 698 K C 1.917 178.537 176.600 0.033 0.000 1.048 698 K CA 1.119 57.425 56.287 0.033 0.000 0.933 698 K CB -0.154 32.356 32.500 0.017 0.000 0.721 698 K HN 0.185 nan 8.250 nan 0.000 0.447 699 K N 0.981 121.405 120.400 0.039 0.000 2.148 699 K HA -0.060 4.268 4.320 0.013 0.000 0.204 699 K C 0.533 177.172 176.600 0.065 0.000 1.050 699 K CA 0.576 56.879 56.287 0.027 0.000 0.942 699 K CB -0.236 32.256 32.500 -0.014 0.000 0.724 699 K HN 0.129 nan 8.250 nan 0.000 0.446 700 D N 1.649 122.112 120.400 0.105 0.000 2.396 700 D HA 0.003 4.651 4.640 0.013 0.000 0.225 700 D C 0.961 177.308 176.300 0.079 0.000 1.121 700 D CA -0.014 54.064 54.000 0.130 0.000 0.853 700 D CB 1.116 42.043 40.800 0.211 0.000 1.043 700 D HN -0.134 nan 8.370 nan 0.000 0.500 701 K N 2.994 123.435 120.400 0.070 0.000 2.002 701 K HA -0.105 4.223 4.320 0.013 0.000 0.209 701 K C 1.488 178.112 176.600 0.040 0.000 1.048 701 K CA 1.201 57.515 56.287 0.044 0.000 0.930 701 K CB -0.270 32.253 32.500 0.039 0.000 0.714 701 K HN 0.291 nan 8.250 nan 0.000 0.438 702 V N 2.269 122.229 119.914 0.077 0.000 2.332 702 V HA -0.266 3.862 4.120 0.013 0.000 0.248 702 V C 2.589 178.687 176.094 0.006 0.000 1.055 702 V CA 1.720 64.071 62.300 0.084 0.000 1.038 702 V CB -0.681 31.248 31.823 0.176 0.000 0.651 702 V HN 0.307 nan 8.190 nan 0.000 0.450 703 L N 1.247 122.428 121.223 -0.071 0.000 1.994 703 L HA -0.184 4.164 4.340 0.013 0.000 0.208 703 L C 2.176 178.918 176.870 -0.213 0.000 1.071 703 L CA 2.699 57.290 54.840 -0.415 0.000 0.745 703 L CB -1.031 40.745 42.059 -0.473 0.000 0.892 703 L HN 0.488 nan 8.230 nan 0.000 0.431 704 D N -0.461 119.886 120.400 -0.088 0.000 2.092 704 D HA -0.224 4.425 4.640 0.013 0.000 0.193 704 D C 2.065 178.344 176.300 -0.036 0.000 0.994 704 D CA 1.798 55.771 54.000 -0.045 0.000 0.828 704 D CB -0.186 40.608 40.800 -0.009 0.000 0.963 704 D HN 0.467 nan 8.370 nan 0.000 0.450 705 A N -0.040 122.766 122.820 -0.024 0.000 1.883 705 A HA -0.134 4.194 4.320 0.013 0.000 0.217 705 A C 2.631 180.211 177.584 -0.007 0.000 1.186 705 A CA 1.767 53.798 52.037 -0.010 0.000 0.624 705 A CB -1.093 17.906 19.000 -0.002 0.000 0.822 705 A HN 0.253 nan 8.150 nan 0.000 0.444 706 V N -0.432 119.466 119.914 -0.026 0.000 2.407 706 V HA -0.192 3.936 4.120 0.013 0.000 0.248 706 V C 2.484 178.568 176.094 -0.017 0.000 1.055 706 V CA 1.817 64.107 62.300 -0.016 0.000 1.049 706 V CB -0.498 31.293 31.823 -0.054 0.000 0.662 706 V HN 0.507 nan 8.190 nan 0.000 0.455 707 L N -0.202 120.988 121.223 -0.054 0.000 2.093 707 L HA -0.130 4.218 4.340 0.013 0.000 0.208 707 L C 2.336 179.221 176.870 0.024 0.000 1.085 707 L CA 1.844 56.668 54.840 -0.027 0.000 0.755 707 L CB -1.018 41.014 42.059 -0.044 0.000 0.904 707 L HN 0.310 nan 8.230 nan 0.000 0.435 708 K N -0.672 119.739 120.400 0.019 0.000 2.097 708 K HA -0.154 4.174 4.320 0.013 0.000 0.205 708 K C 1.843 178.476 176.600 0.056 0.000 1.050 708 K CA 1.112 57.417 56.287 0.030 0.000 0.938 708 K CB -0.063 32.444 32.500 0.012 0.000 0.718 708 K HN 0.405 nan 8.250 nan 0.000 0.442 709 E N 0.848 121.096 120.200 0.080 0.000 2.130 709 E HA -0.205 4.153 4.350 0.013 0.000 0.196 709 E C 1.971 178.710 176.600 0.232 0.000 0.998 709 E CA 1.023 57.508 56.400 0.141 0.000 0.806 709 E CB -0.133 29.721 29.700 0.256 0.000 0.738 709 E HN 0.300 nan 8.360 nan 0.000 0.459 710 L N 0.630 121.991 121.223 0.229 0.000 2.217 710 L HA -0.128 4.220 4.340 0.013 0.000 0.211 710 L C 1.983 179.022 176.870 0.282 0.000 1.107 710 L CA 0.930 55.952 54.840 0.303 0.000 0.783 710 L CB -0.148 42.006 42.059 0.159 0.000 0.919 710 L HN 0.058 nan 8.230 nan 0.000 0.442 711 E N -0.509 119.778 120.200 0.145 0.000 2.435 711 E HA -0.091 4.267 4.350 0.013 0.000 0.195 711 E C 2.028 178.628 176.600 -0.001 0.000 1.029 711 E CA 0.941 57.380 56.400 0.065 0.000 0.865 711 E CB 0.069 29.794 29.700 0.041 0.000 0.833 711 E HN 0.464 nan 8.360 nan 0.000 0.510 712 S N -0.187 115.523 115.700 0.016 0.000 2.562 712 S HA 0.110 4.588 4.470 0.013 0.000 0.221 712 S C 1.714 176.283 174.600 -0.051 0.000 0.975 712 S CA 0.282 58.463 58.200 -0.032 0.000 0.918 712 S CB 0.131 63.307 63.200 -0.040 0.000 0.772 712 S HN 0.340 nan 8.310 nan 0.000 0.531 713 G N 1.903 110.688 108.800 -0.025 0.000 2.143 713 G HA2 -0.333 3.635 3.960 0.013 0.000 0.248 713 G HA3 -0.333 3.635 3.960 0.013 0.000 0.248 713 G C 0.638 175.509 174.900 -0.047 0.000 0.991 713 G CA 0.573 45.644 45.100 -0.048 0.000 0.689 713 G HN 0.563 nan 8.290 nan 0.000 0.522 714 K N -0.807 119.543 120.400 -0.085 0.000 2.062 714 K HA 0.012 4.340 4.320 0.013 0.000 0.205 714 K C 1.289 177.706 176.600 -0.305 0.000 1.051 714 K CA 1.171 57.301 56.287 -0.262 0.000 0.941 714 K CB -0.062 32.160 32.500 -0.464 0.000 0.719 714 K HN 0.462 nan 8.250 nan 0.000 0.440 715 Y N 0.516 120.896 120.300 0.134 0.000 2.583 715 Y HA 0.123 4.681 4.550 0.014 0.000 0.294 715 Y C 0.248 176.273 175.900 0.209 0.000 1.170 715 Y CA -0.186 58.007 58.100 0.155 0.000 1.265 715 Y CB 0.544 39.064 38.460 0.100 0.000 1.119 715 Y HN 0.055 nan 8.280 nan 0.000 0.522 716 S N -1.227 114.556 115.700 0.139 0.000 2.801 716 S HA 0.052 4.530 4.470 0.013 0.000 0.236 716 S C -0.722 173.871 174.600 -0.013 0.000 0.852 716 S CA -0.647 57.555 58.200 0.003 0.000 1.089 716 S CB -0.829 62.212 63.200 -0.265 0.000 1.376 716 S HN 0.485 nan 8.310 nan 0.000 0.470 717 D N 0.919 121.321 120.400 0.002 0.000 2.894 717 D HA -0.213 4.435 4.640 0.013 0.000 0.216 717 D C 1.159 177.446 176.300 -0.023 0.000 1.245 717 D CA 1.258 55.253 54.000 -0.010 0.000 0.728 717 D CB -1.880 38.924 40.800 0.007 0.000 0.924 717 D HN 1.471 nan 8.370 nan 0.000 0.395 718 G N 1.262 110.039 108.800 -0.039 0.000 2.328 718 G HA2 -0.391 3.577 3.960 0.013 0.000 0.256 718 G HA3 -0.391 3.577 3.960 0.013 0.000 0.256 718 G C 0.142 175.010 174.900 -0.053 0.000 1.014 718 G CA 0.548 45.623 45.100 -0.043 0.000 0.620 718 G HN 0.826 nan 8.290 nan 0.000 0.530 719 D N 1.457 121.823 120.400 -0.056 0.000 2.367 719 D HA 0.307 4.955 4.640 0.013 0.000 0.255 719 D C 1.655 177.875 176.300 -0.133 0.000 1.300 719 D CA -0.031 53.929 54.000 -0.067 0.000 0.959 719 D CB 0.061 40.829 40.800 -0.054 0.000 1.064 719 D HN 0.478 nan 8.370 nan 0.000 0.509 720 K N 2.420 122.712 120.400 -0.179 0.000 2.616 720 K HA -0.078 4.250 4.320 0.013 0.000 0.192 720 K C 0.377 176.690 176.600 -0.477 0.000 1.031 720 K CA 0.499 56.603 56.287 -0.305 0.000 1.004 720 K CB 0.231 32.519 32.500 -0.353 0.000 0.810 720 K HN 0.566 nan 8.250 nan 0.000 0.497 721 H N -1.229 117.786 119.070 -0.091 0.000 3.233 721 H HA 0.257 4.821 4.556 0.014 0.000 0.263 721 H C 1.623 176.857 175.328 -0.158 0.000 1.168 721 H CA 0.202 56.194 56.048 -0.094 0.000 1.159 721 H CB 0.638 30.356 29.762 -0.074 0.000 1.593 721 H HN 0.168 nan 8.280 nan 0.000 0.580 722 A N 1.262 123.946 122.820 -0.227 0.000 1.869 722 A HA -0.206 4.122 4.320 0.013 0.000 0.218 722 A C 1.025 178.427 177.584 -0.303 0.000 1.203 722 A CA 1.556 53.360 52.037 -0.389 0.000 0.638 722 A CB -0.933 17.498 19.000 -0.949 0.000 0.831 722 A HN 0.180 nan 8.150 nan 0.000 0.450 723 F N 0.322 120.346 119.950 0.123 0.000 2.798 723 F HA 0.236 4.771 4.527 0.013 0.000 0.291 723 F C 0.913 176.756 175.800 0.071 0.000 1.174 723 F CA -0.731 57.325 58.000 0.094 0.000 1.392 723 F CB -0.516 38.493 39.000 0.014 0.000 0.966 723 F HN 0.106 nan 8.300 nan 0.000 0.509 724 D N 0.396 120.862 120.400 0.111 0.000 2.218 724 D HA -0.157 4.491 4.640 0.013 0.000 0.204 724 D C 2.063 178.340 176.300 -0.038 0.000 0.976 724 D CA 1.167 55.171 54.000 0.007 0.000 0.853 724 D CB 0.093 40.830 40.800 -0.105 0.000 0.939 724 D HN 0.409 nan 8.370 nan 0.000 0.481 725 Q N -0.246 119.581 119.800 0.045 0.000 1.967 725 Q HA -0.152 4.196 4.340 0.013 0.000 0.202 725 Q C 2.460 178.552 176.000 0.153 0.000 0.985 725 Q CA 1.496 57.347 55.803 0.080 0.000 0.839 725 Q CB -0.390 28.412 28.738 0.106 0.000 0.906 725 Q HN 0.450 nan 8.270 nan 0.000 0.423 726 M N -0.275 119.419 119.600 0.156 0.000 2.117 726 M HA -0.128 4.360 4.480 0.013 0.000 0.262 726 M C 1.926 178.358 176.300 0.220 0.000 1.065 726 M CA 1.439 56.838 55.300 0.165 0.000 1.114 726 M CB -0.504 32.160 32.600 0.107 0.000 1.361 726 M HN 0.033 nan 8.290 nan 0.000 0.408 727 L N 0.666 122.021 121.223 0.219 0.000 2.051 727 L HA -0.233 4.115 4.340 0.013 0.000 0.214 727 L C 2.647 179.684 176.870 0.279 0.000 1.076 727 L CA 2.073 57.050 54.840 0.229 0.000 0.758 727 L CB -1.342 40.861 42.059 0.241 0.000 0.890 727 L HN 0.407 nan 8.230 nan 0.000 0.433 728 H N -1.245 117.894 119.070 0.115 0.000 2.326 728 H HA -0.078 4.486 4.556 0.013 0.000 0.301 728 H C 2.482 177.868 175.328 0.097 0.000 1.081 728 H CA 1.360 57.465 56.048 0.095 0.000 1.334 728 H CB -0.535 29.282 29.762 0.091 0.000 1.385 728 H HN 0.478 nan 8.280 nan 0.000 0.504 729 S N 0.781 116.633 115.700 0.254 0.000 2.365 729 S HA -0.188 4.290 4.470 0.013 0.000 0.225 729 S C 2.122 176.825 174.600 0.171 0.000 1.039 729 S CA 1.745 60.072 58.200 0.211 0.000 1.033 729 S CB -0.885 62.468 63.200 0.254 0.000 0.887 729 S HN 0.624 nan 8.310 nan 0.000 0.447 730 I N -0.321 120.353 120.570 0.172 0.000 3.578 730 I HA 0.384 4.562 4.170 0.013 0.000 0.295 730 I C 1.223 177.365 176.117 0.041 0.000 1.280 730 I CA -0.036 61.331 61.300 0.111 0.000 1.347 730 I CB -0.917 37.144 38.000 0.101 0.000 1.051 730 I HN 0.300 nan 8.210 nan 0.000 0.460 731 G N 1.859 110.684 108.800 0.041 0.000 2.557 731 G HA2 0.205 4.173 3.960 0.013 0.000 0.292 731 G HA3 0.205 4.173 3.960 0.013 0.000 0.292 731 G C 0.805 175.667 174.900 -0.064 0.000 1.237 731 G CA -0.075 45.017 45.100 -0.015 0.000 0.978 731 G HN 0.407 nan 8.290 nan 0.000 0.498 732 K N -0.810 119.538 120.400 -0.086 0.000 2.113 732 K HA -0.234 4.094 4.320 0.013 0.000 0.208 732 K C 2.081 178.622 176.600 -0.099 0.000 1.047 732 K CA 2.106 58.336 56.287 -0.095 0.000 0.928 732 K CB -0.206 32.245 32.500 -0.081 0.000 0.716 732 K HN 0.477 nan 8.250 nan 0.000 0.446 733 Q N 0.754 120.467 119.800 -0.144 0.000 2.084 733 Q HA -0.077 4.271 4.340 0.013 0.000 0.202 733 Q C 2.254 178.222 176.000 -0.054 0.000 0.978 733 Q CA 2.065 57.781 55.803 -0.144 0.000 0.844 733 Q CB -0.827 27.709 28.738 -0.336 0.000 0.898 733 Q HN 0.511 nan 8.270 nan 0.000 0.426 734 G N -0.300 108.488 108.800 -0.019 0.000 2.603 734 G HA2 0.259 4.227 3.960 0.013 0.000 0.214 734 G HA3 0.259 4.227 3.960 0.013 0.000 0.214 734 G C 1.151 176.068 174.900 0.028 0.000 1.140 734 G CA 0.709 45.839 45.100 0.049 0.000 0.800 734 G HN 0.680 nan 8.290 nan 0.000 0.533 735 G N 0.221 109.012 108.800 -0.016 0.000 2.320 735 G HA2 -0.306 3.662 3.960 0.013 0.000 0.242 735 G HA3 -0.306 3.662 3.960 0.013 0.000 0.242 735 G C 0.440 175.322 174.900 -0.030 0.000 1.033 735 G CA 0.838 45.910 45.100 -0.047 0.000 0.620 735 G HN 1.284 nan 8.290 nan 0.000 0.517 736 D N -0.296 120.136 120.400 0.054 0.000 2.760 736 D HA -0.122 4.526 4.640 0.013 0.000 0.244 736 D C -0.410 175.982 176.300 0.153 0.000 1.123 736 D CA 1.216 55.297 54.000 0.136 0.000 0.719 736 D CB -0.560 40.318 40.800 0.131 0.000 1.045 736 D HN 0.449 nan 8.370 nan 0.000 0.426 737 P HA -0.114 nan 4.420 nan 0.000 0.242 737 P C 0.495 177.469 177.300 -0.544 0.000 1.198 737 P CA 0.778 63.720 63.100 -0.264 0.000 0.756 737 P CB -0.215 31.255 31.700 -0.384 0.000 0.911 738 Y N -0.506 119.838 120.300 0.074 0.000 2.500 738 Y HA 0.300 4.858 4.550 0.013 0.000 0.246 738 Y C 1.398 177.252 175.900 -0.075 0.000 1.146 738 Y CA -0.635 57.477 58.100 0.020 0.000 1.230 738 Y CB -0.153 38.368 38.460 0.102 0.000 1.214 738 Y HN -0.283 nan 8.280 nan 0.000 0.526 739 L N -0.974 120.230 121.223 -0.032 0.000 3.677 739 L HA -0.314 4.034 4.340 0.013 0.000 0.464 739 L C 0.717 177.523 176.870 -0.107 0.000 1.278 739 L CA -0.215 54.490 54.840 -0.225 0.000 0.806 739 L CB -2.359 39.322 42.059 -0.630 0.000 1.610 739 L HN 0.057 nan 8.230 nan 0.000 0.867 740 V N -0.713 119.196 119.914 -0.010 0.000 2.343 740 V HA -0.286 3.842 4.120 0.013 0.000 0.247 740 V C 2.549 178.664 176.094 0.035 0.000 1.051 740 V CA 2.373 64.653 62.300 -0.034 0.000 1.036 740 V CB -0.268 31.458 31.823 -0.161 0.000 0.654 740 V HN 0.548 nan 8.190 nan 0.000 0.451 741 M N 0.091 119.705 119.600 0.023 0.000 2.065 741 M HA -0.154 4.335 4.480 0.013 0.000 0.259 741 M C 2.505 178.795 176.300 -0.018 0.000 1.071 741 M CA 2.406 57.740 55.300 0.057 0.000 1.109 741 M CB -1.586 31.061 32.600 0.080 0.000 1.313 741 M HN 0.396 nan 8.290 nan 0.000 0.408 742 A N 0.066 122.615 122.820 -0.450 0.000 1.948 742 A HA -0.190 4.138 4.320 0.013 0.000 0.220 742 A C 1.612 179.121 177.584 -0.124 0.000 1.177 742 A CA 2.177 53.656 52.037 -0.930 0.000 0.636 742 A CB -0.704 17.415 19.000 -1.467 0.000 0.815 742 A HN 0.488 nan 8.150 nan 0.000 0.449 743 D N -2.226 118.202 120.400 0.048 0.000 2.349 743 D HA 0.147 4.795 4.640 0.013 0.000 0.214 743 D C 1.107 177.603 176.300 0.327 0.000 1.063 743 D CA -0.177 53.982 54.000 0.265 0.000 0.847 743 D CB -0.178 40.766 40.800 0.240 0.000 0.933 743 D HN 0.427 nan 8.370 nan 0.000 0.513 744 F N 2.463 122.517 119.950 0.174 0.000 2.026 744 F HA -0.218 4.317 4.527 0.013 0.000 0.296 744 F C 2.229 178.142 175.800 0.188 0.000 1.133 744 F CA 1.934 60.048 58.000 0.190 0.000 1.188 744 F CB -0.399 38.685 39.000 0.141 0.000 0.968 744 F HN -0.007 nan 8.300 nan 0.000 0.476 745 A N 0.555 123.449 122.820 0.124 0.000 1.917 745 A HA -0.145 4.183 4.320 0.013 0.000 0.219 745 A C 2.417 179.962 177.584 -0.066 0.000 1.182 745 A CA 2.292 54.312 52.037 -0.028 0.000 0.633 745 A CB -1.726 17.397 19.000 0.206 0.000 0.819 745 A HN 0.637 nan 8.150 nan 0.000 0.448 746 A N -1.292 121.583 122.820 0.092 0.000 1.865 746 A HA -0.178 4.150 4.320 0.013 0.000 0.217 746 A C 2.179 179.743 177.584 -0.032 0.000 1.191 746 A CA 1.912 54.026 52.037 0.128 0.000 0.623 746 A CB -0.962 18.215 19.000 0.295 0.000 0.826 746 A HN 0.779 nan 8.150 nan 0.000 0.444 747 Y N 0.911 121.013 120.300 -0.331 0.000 2.128 747 Y HA -0.190 4.368 4.550 0.014 0.000 0.284 747 Y C 2.407 177.916 175.900 -0.651 0.000 1.154 747 Y CA 1.645 59.194 58.100 -0.918 0.000 1.149 747 Y CB -0.734 37.369 38.460 -0.596 0.000 0.976 747 Y HN 0.061 nan 8.280 nan 0.000 0.505 748 V N 0.783 120.292 119.914 -0.674 0.000 2.343 748 V HA -0.304 3.824 4.120 0.013 0.000 0.247 748 V C 2.452 178.295 176.094 -0.418 0.000 1.051 748 V CA 2.275 64.169 62.300 -0.676 0.000 1.036 748 V CB -0.734 30.658 31.823 -0.718 0.000 0.654 748 V HN 0.474 nan 8.190 nan 0.000 0.451 749 E N 0.348 120.382 120.200 -0.278 0.000 2.031 749 E HA -0.247 4.111 4.350 0.013 0.000 0.193 749 E C 2.302 178.835 176.600 -0.112 0.000 0.994 749 E CA 1.462 57.779 56.400 -0.138 0.000 0.800 749 E CB -0.251 29.419 29.700 -0.050 0.000 0.752 749 E HN 0.528 nan 8.360 nan 0.000 0.447 750 A N 1.236 123.979 122.820 -0.129 0.000 1.892 750 A HA -0.265 4.063 4.320 0.013 0.000 0.218 750 A C 2.168 179.661 177.584 -0.152 0.000 1.188 750 A CA 1.785 53.810 52.037 -0.020 0.000 0.631 750 A CB -0.631 18.338 19.000 -0.050 0.000 0.822 750 A HN 0.321 nan 8.150 nan 0.000 0.447 751 Q N -0.275 119.312 119.800 -0.354 0.000 2.084 751 Q HA -0.170 4.178 4.340 0.013 0.000 0.202 751 Q C 2.005 177.865 176.000 -0.233 0.000 0.978 751 Q CA 1.745 57.324 55.803 -0.372 0.000 0.844 751 Q CB -0.390 28.051 28.738 -0.495 0.000 0.898 751 Q HN 0.732 nan 8.270 nan 0.000 0.426 752 K N 0.569 120.865 120.400 -0.174 0.000 2.211 752 K HA -0.195 4.133 4.320 0.013 0.000 0.204 752 K C 2.150 178.738 176.600 -0.020 0.000 1.047 752 K CA 1.201 57.434 56.287 -0.090 0.000 0.935 752 K CB 0.013 32.471 32.500 -0.070 0.000 0.728 752 K HN 0.285 nan 8.250 nan 0.000 0.452 753 Q N -0.009 119.810 119.800 0.031 0.000 2.123 753 Q HA -0.086 4.262 4.340 0.013 0.000 0.199 753 Q C 2.078 178.197 176.000 0.198 0.000 0.966 753 Q CA 0.946 56.861 55.803 0.185 0.000 0.845 753 Q CB 0.076 29.049 28.738 0.391 0.000 0.907 753 Q HN 0.063 nan 8.270 nan 0.000 0.439 754 V N 1.736 121.607 119.914 -0.071 0.000 2.380 754 V HA -0.328 3.801 4.120 0.013 0.000 0.251 754 V C 1.229 177.351 176.094 0.046 0.000 1.063 754 V CA 2.272 64.488 62.300 -0.140 0.000 1.055 754 V CB -0.608 30.985 31.823 -0.382 0.000 0.657 754 V HN 0.380 nan 8.190 nan 0.000 0.455 755 D N -0.140 120.249 120.400 -0.020 0.000 2.092 755 D HA -0.159 4.489 4.640 0.013 0.000 0.193 755 D C 2.104 178.450 176.300 0.077 0.000 0.994 755 D CA 1.622 55.616 54.000 -0.009 0.000 0.828 755 D CB -0.435 40.349 40.800 -0.028 0.000 0.963 755 D HN 0.297 nan 8.370 nan 0.000 0.450 756 V N 0.756 120.731 119.914 0.102 0.000 2.231 756 V HA -0.247 3.881 4.120 0.013 0.000 0.248 756 V C 2.360 178.555 176.094 0.168 0.000 1.054 756 V CA 1.509 63.879 62.300 0.116 0.000 1.015 756 V CB -0.720 31.173 31.823 0.116 0.000 0.638 756 V HN 0.183 nan 8.190 nan 0.000 0.444 757 L N -0.541 120.854 121.223 0.286 0.000 2.012 757 L HA -0.231 4.117 4.340 0.013 0.000 0.210 757 L C 2.312 179.438 176.870 0.426 0.000 1.073 757 L CA 2.191 57.275 54.840 0.405 0.000 0.748 757 L CB -1.069 41.369 42.059 0.632 0.000 0.891 757 L HN 0.446 nan 8.230 nan 0.000 0.431 758 Y N 0.284 120.672 120.300 0.148 0.000 2.207 758 Y HA -0.237 4.322 4.550 0.013 0.000 0.287 758 Y C 2.665 178.432 175.900 -0.222 0.000 1.156 758 Y CA 1.780 59.627 58.100 -0.422 0.000 1.182 758 Y CB -0.113 37.827 38.460 -0.867 0.000 0.979 758 Y HN 0.190 nan 8.280 nan 0.000 0.521 759 R N -0.263 120.219 120.500 -0.029 0.000 2.081 759 R HA -0.146 4.202 4.340 0.013 0.000 0.235 759 R C 0.529 176.783 176.300 -0.078 0.000 1.131 759 R CA 1.228 57.294 56.100 -0.055 0.000 0.960 759 R CB -0.549 29.757 30.300 0.010 0.000 0.856 759 R HN 0.233 nan 8.270 nan 0.000 0.436 760 D N 1.679 122.074 120.400 -0.007 0.000 2.416 760 D HA -0.057 4.591 4.640 0.013 0.000 0.240 760 D C 0.908 177.206 176.300 -0.003 0.000 1.250 760 D CA 0.211 54.217 54.000 0.010 0.000 0.967 760 D CB 0.782 41.616 40.800 0.057 0.000 1.059 760 D HN 0.166 nan 8.370 nan 0.000 0.512 761 Q N 3.158 122.918 119.800 -0.066 0.000 1.943 761 Q HA -0.292 4.056 4.340 0.013 0.000 0.213 761 Q C 1.595 177.605 176.000 0.016 0.000 1.017 761 Q CA 2.223 57.979 55.803 -0.078 0.000 0.874 761 Q CB -0.043 28.645 28.738 -0.084 0.000 0.960 761 Q HN 0.701 nan 8.270 nan 0.000 0.417 762 E N -0.413 119.795 120.200 0.014 0.000 2.114 762 E HA -0.265 4.093 4.350 0.013 0.000 0.199 762 E C 1.818 178.443 176.600 0.041 0.000 1.008 762 E CA 1.507 57.922 56.400 0.025 0.000 0.810 762 E CB -0.316 29.392 29.700 0.012 0.000 0.739 762 E HN 0.475 nan 8.360 nan 0.000 0.456 763 A N 1.747 124.601 122.820 0.056 0.000 1.865 763 A HA -0.217 4.111 4.320 0.013 0.000 0.217 763 A C 2.136 179.777 177.584 0.096 0.000 1.191 763 A CA 1.459 53.533 52.037 0.063 0.000 0.623 763 A CB -1.526 17.523 19.000 0.083 0.000 0.826 763 A HN 0.760 nan 8.150 nan 0.000 0.444 764 W N 1.200 122.477 121.300 -0.038 0.000 2.333 764 W HA -0.201 4.467 4.660 0.013 0.000 0.316 764 W C 2.057 178.563 176.519 -0.021 0.000 1.215 764 W CA 2.626 59.961 57.345 -0.018 0.000 1.278 764 W CB -0.829 28.570 29.460 -0.102 0.000 1.154 764 W HN 0.406 nan 8.180 nan 0.000 0.486 765 T N 1.096 115.745 114.554 0.157 0.000 2.665 765 T HA -0.249 4.109 4.350 0.013 0.000 0.268 765 T C 1.810 176.439 174.700 -0.118 0.000 1.035 765 T CA 2.151 64.277 62.100 0.043 0.000 1.151 765 T CB -0.453 68.450 68.868 0.059 0.000 0.862 765 T HN 0.213 nan 8.240 nan 0.000 0.438 766 R N 1.125 121.573 120.500 -0.087 0.000 2.073 766 R HA 0.022 4.370 4.340 0.013 0.000 0.234 766 R C 2.911 179.110 176.300 -0.168 0.000 1.134 766 R CA 1.306 57.333 56.100 -0.122 0.000 0.952 766 R CB -0.611 29.643 30.300 -0.077 0.000 0.850 766 R HN 0.393 nan 8.270 nan 0.000 0.433 767 A N 1.542 124.254 122.820 -0.180 0.000 1.883 767 A HA -0.168 4.160 4.320 0.013 0.000 0.217 767 A C 2.437 179.874 177.584 -0.245 0.000 1.186 767 A CA 1.855 53.758 52.037 -0.224 0.000 0.624 767 A CB -0.801 18.023 19.000 -0.294 0.000 0.822 767 A HN 0.414 nan 8.150 nan 0.000 0.444 768 A N 0.005 122.648 122.820 -0.295 0.000 1.883 768 A HA -0.124 4.204 4.320 0.013 0.000 0.217 768 A C 2.122 179.598 177.584 -0.181 0.000 1.186 768 A CA 1.624 53.550 52.037 -0.186 0.000 0.624 768 A CB -0.705 18.273 19.000 -0.037 0.000 0.822 768 A HN 0.523 nan 8.150 nan 0.000 0.444 769 I N -0.300 120.024 120.570 -0.409 0.000 2.264 769 I HA -0.259 3.920 4.170 0.013 0.000 0.248 769 I C 2.206 178.210 176.117 -0.189 0.000 1.111 769 I CA 1.070 62.087 61.300 -0.471 0.000 1.382 769 I CB -0.344 37.387 38.000 -0.450 0.000 1.060 769 I HN 0.288 nan 8.210 nan 0.000 0.418 770 L N 0.217 121.346 121.223 -0.157 0.000 2.291 770 L HA -0.141 4.208 4.340 0.013 0.000 0.214 770 L C 2.185 179.019 176.870 -0.059 0.000 1.120 770 L CA 1.000 55.778 54.840 -0.104 0.000 0.799 770 L CB -0.620 41.376 42.059 -0.105 0.000 0.925 770 L HN 0.374 nan 8.230 nan 0.000 0.446 771 N N -0.773 117.897 118.700 -0.049 0.000 2.250 771 N HA -0.107 4.641 4.740 0.013 0.000 0.181 771 N C 1.665 177.199 175.510 0.041 0.000 1.017 771 N CA 1.553 54.603 53.050 -0.000 0.000 0.866 771 N CB 0.143 38.626 38.487 -0.007 0.000 0.985 771 N HN 0.269 nan 8.380 nan 0.000 0.429 772 T N 1.485 116.071 114.554 0.052 0.000 2.614 772 T HA -0.097 4.261 4.350 0.013 0.000 0.263 772 T C 2.104 176.827 174.700 0.038 0.000 1.055 772 T CA 1.403 63.548 62.100 0.076 0.000 1.162 772 T CB -0.455 68.499 68.868 0.143 0.000 0.863 772 T HN 0.283 nan 8.240 nan 0.000 0.414 773 A N 1.802 124.626 122.820 0.007 0.000 1.927 773 A HA -0.225 4.104 4.320 0.013 0.000 0.220 773 A C 2.273 179.850 177.584 -0.012 0.000 1.185 773 A CA 1.892 53.917 52.037 -0.020 0.000 0.639 773 A CB -0.558 18.410 19.000 -0.055 0.000 0.820 773 A HN 0.488 nan 8.150 nan 0.000 0.451 774 R N -1.812 118.688 120.500 -0.000 0.000 2.297 774 R HA 0.098 4.446 4.340 0.013 0.000 0.197 774 R C 0.823 177.143 176.300 0.033 0.000 0.943 774 R CA 0.516 56.619 56.100 0.004 0.000 1.038 774 R CB -0.263 30.039 30.300 0.003 0.000 0.957 774 R HN 0.520 nan 8.270 nan 0.000 0.484 775 C N 0.325 119.678 119.300 0.090 0.000 2.614 775 C HA 0.191 4.659 4.460 0.013 0.000 0.299 775 C C 2.163 177.205 174.990 0.087 0.000 1.293 775 C CA -0.517 58.622 59.018 0.201 0.000 1.713 775 C CB -0.684 27.267 27.740 0.353 0.000 1.890 775 C HN 0.630 nan 8.230 nan 0.000 0.602 776 G N 1.877 110.673 108.800 -0.006 0.000 2.479 776 G HA2 -0.272 3.696 3.960 0.013 0.000 0.220 776 G HA3 -0.272 3.696 3.960 0.013 0.000 0.220 776 G C 1.536 176.377 174.900 -0.098 0.000 1.115 776 G CA 1.093 46.187 45.100 -0.009 0.000 0.757 776 G HN 0.718 nan 8.290 nan 0.000 0.560 777 M N -1.584 117.825 119.600 -0.318 0.000 2.630 777 M HA 0.346 4.834 4.480 0.013 0.000 0.254 777 M C 0.522 176.552 176.300 -0.449 0.000 1.092 777 M CA 0.889 55.931 55.300 -0.430 0.000 1.087 777 M CB -0.102 32.137 32.600 -0.602 0.000 1.453 777 M HN -0.017 nan 8.290 nan 0.000 0.509 778 F N 1.035 121.017 119.950 0.053 0.000 2.798 778 F HA 0.378 4.913 4.527 0.013 0.000 0.291 778 F C 0.818 176.672 175.800 0.091 0.000 1.174 778 F CA -0.924 57.114 58.000 0.063 0.000 1.392 778 F CB -0.474 38.551 39.000 0.042 0.000 0.966 778 F HN 0.142 nan 8.300 nan 0.000 0.509 779 S N -0.079 115.733 115.700 0.187 0.000 2.438 779 S HA 0.214 4.692 4.470 0.013 0.000 0.293 779 S C 1.361 176.078 174.600 0.195 0.000 1.141 779 S CA -0.243 58.065 58.200 0.181 0.000 1.080 779 S CB 0.797 64.073 63.200 0.127 0.000 0.978 779 S HN 0.347 nan 8.310 nan 0.000 0.479 780 S N 3.718 119.569 115.700 0.252 0.000 2.462 780 S HA -0.165 4.313 4.470 0.013 0.000 0.243 780 S C 1.070 175.792 174.600 0.204 0.000 1.003 780 S CA 1.296 59.701 58.200 0.341 0.000 0.970 780 S CB -0.497 62.966 63.200 0.438 0.000 0.762 780 S HN 0.818 nan 8.310 nan 0.000 0.510 781 D N 1.965 122.447 120.400 0.136 0.000 2.104 781 D HA -0.144 4.504 4.640 0.013 0.000 0.194 781 D C 2.096 178.431 176.300 0.058 0.000 0.994 781 D CA 1.362 55.410 54.000 0.080 0.000 0.830 781 D CB -0.396 40.439 40.800 0.057 0.000 0.959 781 D HN 0.551 nan 8.370 nan 0.000 0.452 782 R N 1.124 121.659 120.500 0.059 0.000 2.070 782 R HA -0.119 4.229 4.340 0.013 0.000 0.233 782 R C 2.170 178.480 176.300 0.017 0.000 1.137 782 R CA 1.720 57.837 56.100 0.028 0.000 0.945 782 R CB -0.209 30.099 30.300 0.015 0.000 0.845 782 R HN -0.008 nan 8.270 nan 0.000 0.430 783 S N 1.267 117.001 115.700 0.056 0.000 2.389 783 S HA -0.185 4.293 4.470 0.013 0.000 0.231 783 S C 1.971 176.570 174.600 -0.002 0.000 1.052 783 S CA 1.539 59.766 58.200 0.044 0.000 1.053 783 S CB -0.282 63.020 63.200 0.169 0.000 0.886 783 S HN 0.291 nan 8.310 nan 0.000 0.456 784 I N 1.679 122.218 120.570 -0.052 0.000 2.133 784 I HA -0.088 4.090 4.170 0.013 0.000 0.238 784 I C 2.462 178.612 176.117 0.054 0.000 1.074 784 I CA 1.302 62.613 61.300 0.020 0.000 1.342 784 I CB -1.274 36.764 38.000 0.064 0.000 1.053 784 I HN 0.227 nan 8.210 nan 0.000 0.404 785 R N 0.994 121.512 120.500 0.031 0.000 2.139 785 R HA -0.182 4.167 4.340 0.013 0.000 0.243 785 R C 1.735 178.010 176.300 -0.041 0.000 1.145 785 R CA 1.231 57.340 56.100 0.016 0.000 0.976 785 R CB -0.859 29.446 30.300 0.008 0.000 0.866 785 R HN 0.487 nan 8.270 nan 0.000 0.449 786 D N -0.380 119.962 120.400 -0.097 0.000 2.103 786 D HA -0.123 4.525 4.640 0.013 0.000 0.199 786 D C 1.989 178.091 176.300 -0.330 0.000 0.978 786 D CA 1.068 54.951 54.000 -0.195 0.000 0.829 786 D CB -0.312 40.345 40.800 -0.238 0.000 0.981 786 D HN 0.217 nan 8.370 nan 0.000 0.464 787 Y N 1.819 121.824 120.300 -0.492 0.000 2.181 787 Y HA -0.172 4.386 4.550 0.013 0.000 0.288 787 Y C 2.682 178.150 175.900 -0.720 0.000 1.146 787 Y CA 1.245 58.784 58.100 -0.936 0.000 1.164 787 Y CB -0.197 37.132 38.460 -1.884 0.000 0.982 787 Y HN 0.033 nan 8.280 nan 0.000 0.515 788 Q N -0.667 119.069 119.800 -0.106 0.000 2.020 788 Q HA -0.221 4.127 4.340 0.013 0.000 0.202 788 Q C 2.598 178.618 176.000 0.033 0.000 0.982 788 Q CA 1.562 57.457 55.803 0.153 0.000 0.838 788 Q CB -0.442 28.410 28.738 0.190 0.000 0.899 788 Q HN 0.519 nan 8.270 nan 0.000 0.423 789 A N 1.269 124.068 122.820 -0.034 0.000 1.854 789 A HA -0.148 4.180 4.320 0.013 0.000 0.214 789 A C 2.033 179.571 177.584 -0.078 0.000 1.192 789 A CA 1.220 53.233 52.037 -0.040 0.000 0.611 789 A CB -0.366 18.611 19.000 -0.038 0.000 0.832 789 A HN 0.196 nan 8.150 nan 0.000 0.442 790 R N -1.092 119.313 120.500 -0.159 0.000 2.148 790 R HA 0.145 4.493 4.340 0.013 0.000 0.223 790 R C 1.270 177.366 176.300 -0.341 0.000 1.088 790 R CA 1.459 57.428 56.100 -0.218 0.000 0.985 790 R CB -0.162 29.970 30.300 -0.281 0.000 0.880 790 R HN 0.590 nan 8.270 nan 0.000 0.451 791 I N -2.741 117.649 120.570 -0.300 0.000 3.626 791 I HA -0.004 4.174 4.170 0.013 0.000 0.256 791 I C 1.395 177.566 176.117 0.090 0.000 1.105 791 I CA -0.346 60.852 61.300 -0.170 0.000 1.656 791 I CB -0.459 37.361 38.000 -0.299 0.000 1.672 791 I HN 0.013 nan 8.210 nan 0.000 0.421 792 W N 2.437 123.804 121.300 0.112 0.000 2.305 792 W HA -0.169 4.500 4.660 0.014 0.000 0.308 792 W C 1.731 178.257 176.519 0.011 0.000 1.226 792 W CA 0.952 58.351 57.345 0.091 0.000 1.253 792 W CB -0.867 28.640 29.460 0.078 0.000 1.146 792 W HN 0.323 nan 8.180 nan 0.000 0.507 793 Q N -1.083 118.835 119.800 0.195 0.000 2.189 793 Q HA 0.375 4.723 4.340 0.013 0.000 0.221 793 Q C 0.630 176.635 176.000 0.007 0.000 0.848 793 Q CA 0.003 55.856 55.803 0.083 0.000 1.007 793 Q CB -0.315 28.475 28.738 0.086 0.000 1.116 793 Q HN 0.008 nan 8.270 nan 0.000 0.481 794 A N 1.064 123.871 122.820 -0.022 0.000 2.366 794 A HA 0.523 4.851 4.320 0.013 0.000 0.250 794 A C 0.248 177.778 177.584 -0.091 0.000 1.099 794 A CA 0.141 52.144 52.037 -0.056 0.000 0.794 794 A CB 0.209 19.170 19.000 -0.065 0.000 1.056 794 A HN 0.339 nan 8.150 nan 0.000 0.499 795 A N 0.571 123.348 122.820 -0.071 0.000 2.451 795 A HA 0.567 4.895 4.320 0.013 0.000 0.266 795 A C 0.667 178.176 177.584 -0.125 0.000 1.119 795 A CA 0.306 52.297 52.037 -0.077 0.000 0.786 795 A CB -0.081 18.896 19.000 -0.039 0.000 1.061 795 A HN 0.853 nan 8.150 nan 0.000 0.503 796 R N 0.000 120.417 120.500 -0.138 0.000 2.786 796 R HA 0.000 4.348 4.340 0.013 0.000 0.208 796 R CA 0.000 56.000 56.100 -0.166 0.000 0.921 796 R CB 0.000 30.129 30.300 -0.285 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535