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 3g60_1_A DATA FIRST_RESID 33 DATA SEQUENCE VSVLTMFRYA GWLDRLYMLV GTLAAIIHGV ALPLMMLIFG DMTDSFASVG DATA SEQUENCE NVSKNSTNMS EADKRAMFAK LEEEMTTYAY YYTGIGAGVL IVAYIQVSFW DATA SEQUENCE CLAAGRQIHK IRQKFFHAIM NQEIGWFDVH DVGELNTRLT DDVSKINEGI DATA SEQUENCE GDKIGMFFQA MATFFGGFII GFTRGWKLTL VILAISPVLG LSAGIWAKIL DATA SEQUENCE SSFTDKELHA YAKAGAVAEE VLAAIRTVIA FGGQKKELER YNNNLEEAKR DATA SEQUENCE LGIKKAITAN ISMGAAFLLI YASYALAFWY GTSLVISKEY SIGQVLTVFF DATA SEQUENCE SVLIGAFSVG QASPNIEAFA NARGAAYEVF KIIDNKPSID SFSKSGHKPD DATA SEQUENCE NIQGNLEFKN IHFSYPSRKE VQILKGLNLK VKSGQTVALV GNSGCGKSTT DATA SEQUENCE VQLMQRLYDP LDGMVSIDGQ DIRTINVRYL REIIGVVSQE PVLFATTIAE DATA SEQUENCE NIRYGREDVT MDEIEKAVKE ANAYDFIMKL PHQFDTLVGE RGAQLSGGQK DATA SEQUENCE QRIAIARALV RNPKILLLDE ATSALDTESE AVVQAALDKA REGRTTIVIA DATA SEQUENCE HRLSTVRNAD VIAGFDGGVI VEQGNHDELM REKGIYFKLV MTQTXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XLDEDVPPAS FWRILKLNST EWPYFVVGIF CAIINGGLQP AFSVIFSKVV DATA SEQUENCE GVFTNGGPPE TQRQNSNLFS LLFLILGIIS FITFFLQGFT FGKAGEILTK DATA SEQUENCE RLRYMVFKSM LRQDVSWFDD PKNTTGALTT RLANDAAQVK GATGSRLAVI DATA SEQUENCE FQNIANLGTG IIISLIYGWQ LTLLLLAIVP IIAIAGVVEM KMLSGQALKD DATA SEQUENCE KKELEGSGKI ATEAIENFRT VVSLTREQKF ETMYAQSLQI PYRNAMKKAH DATA SEQUENCE VFGITFSFTQ AMMYFSYAAC FRFGAYLVTQ QLMTFENVLL VFSAIVFGAM DATA SEQUENCE AVGQVSSFAP DYAKATVSAS HIIRIIEKTP EIDSYSTQGL KPNMLEGNVQ DATA SEQUENCE FSGVVFNYPT RPSIPVLQGL SLEVKKGQTL ALVGSSGCGK STVVQLLERF DATA SEQUENCE YDPMAGSVFL DGKEIKQLNV QWLRAQLGIV SQEPILFDCS IAENIAYGDN DATA SEQUENCE SRVVSYEEIV RAAKEANIHQ FIDSLPDKYN TRVGDKGTQL SGGQKQRIAI DATA SEQUENCE ARALVRQPHI LLLDEATSAL DTESEKVVQE ALDKAREGRT CIVIAHRLST DATA SEQUENCE IQNADLIVVI QNGKVKEHGT HQQLLAQKGI YFSMVSVQA 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 33 V HA 0.000 nan 4.120 nan 0.000 0.244 33 V C 0.000 176.032 176.094 -0.104 0.000 1.182 33 V CA 0.000 62.261 62.300 -0.065 0.000 1.235 33 V CB 0.000 31.790 31.823 -0.055 0.000 1.184 34 S N 0.952 116.594 115.700 -0.095 0.000 2.052 34 S HA -0.402 4.069 4.470 0.001 0.000 0.516 34 S C 1.852 176.329 174.600 -0.205 0.000 0.943 34 S CA 4.416 62.545 58.200 -0.118 0.000 3.205 34 S CB -2.450 60.707 63.200 -0.072 0.000 2.252 34 S HN 2.589 nan 8.310 nan 0.000 0.554 35 V N 2.942 122.636 119.914 -0.368 0.000 2.250 35 V HA -0.325 3.796 4.120 0.001 0.000 0.250 35 V C 2.581 178.476 176.094 -0.333 0.000 1.039 35 V CA 3.052 64.909 62.300 -0.738 0.000 1.042 35 V CB -2.049 29.167 31.823 -1.011 0.000 0.673 35 V HN 1.080 nan 8.190 nan 0.000 0.477 36 L N 0.052 121.131 121.223 -0.240 0.000 2.027 36 L HA 0.026 4.367 4.340 0.001 0.000 0.206 36 L C 2.401 179.301 176.870 0.050 0.000 1.074 36 L CA 2.658 57.456 54.840 -0.070 0.000 0.745 36 L CB -2.183 39.860 42.059 -0.027 0.000 0.898 36 L HN 0.452 nan 8.230 nan 0.000 0.433 37 T N 0.101 114.653 114.554 -0.003 0.000 2.588 37 T HA -0.141 4.210 4.350 0.001 0.000 0.261 37 T C 1.980 176.702 174.700 0.035 0.000 1.069 37 T CA 1.985 64.106 62.100 0.034 0.000 1.172 37 T CB -0.330 68.540 68.868 0.004 0.000 0.863 37 T HN 0.218 nan 8.240 nan 0.000 0.408 38 M N 0.505 120.053 119.600 -0.088 0.000 2.113 38 M HA -0.133 4.348 4.480 0.001 0.000 0.255 38 M C 2.154 178.308 176.300 -0.243 0.000 1.073 38 M CA 1.612 56.758 55.300 -0.257 0.000 1.091 38 M CB -1.249 31.014 32.600 -0.561 0.000 1.309 38 M HN 0.277 nan 8.290 nan 0.000 0.407 39 F N 0.604 120.316 119.950 -0.396 0.000 2.225 39 F HA -0.239 4.289 4.527 0.001 0.000 0.302 39 F C 1.538 177.331 175.800 -0.012 0.000 1.068 39 F CA 1.668 59.512 58.000 -0.260 0.000 1.327 39 F CB -0.035 38.830 39.000 -0.224 0.000 1.043 39 F HN 0.120 nan 8.300 nan 0.000 0.506 40 R N -0.576 120.063 120.500 0.232 0.000 2.816 40 R HA 0.101 4.442 4.340 0.001 0.000 0.382 40 R C -0.881 175.530 176.300 0.186 0.000 1.140 40 R CA -0.483 55.745 56.100 0.213 0.000 1.050 40 R CB -0.026 30.433 30.300 0.265 0.000 1.396 40 R HN 0.269 nan 8.270 nan 0.000 0.583 41 Y N -0.647 119.667 120.300 0.023 0.000 2.316 41 Y HA 0.553 5.104 4.550 0.001 0.000 0.324 41 Y C 0.453 176.394 175.900 0.069 0.000 1.267 41 Y CA -1.509 56.622 58.100 0.051 0.000 1.311 41 Y CB 0.762 39.264 38.460 0.070 0.000 1.267 41 Y HN 0.187 nan 8.280 nan 0.000 0.516 42 A N 1.417 124.120 122.820 -0.196 0.000 2.753 42 A HA 0.322 4.643 4.320 0.001 0.000 0.285 42 A C 0.033 177.539 177.584 -0.130 0.000 1.405 42 A CA 0.529 52.398 52.037 -0.280 0.000 0.727 42 A CB -2.096 16.471 19.000 -0.722 0.000 1.101 42 A HN 2.327 nan 8.150 nan 0.000 0.412 43 G N -0.421 108.374 108.800 -0.008 0.000 2.152 43 G HA2 0.444 4.405 3.960 0.001 0.000 0.290 43 G HA3 0.444 4.405 3.960 0.001 0.000 0.290 43 G C 0.119 175.093 174.900 0.123 0.000 1.307 43 G CA 0.433 45.570 45.100 0.062 0.000 1.289 43 G HN 1.164 nan 8.290 nan 0.000 0.612 44 W N 3.753 125.056 121.300 0.005 0.000 2.088 44 W HA 0.048 4.708 4.660 0.001 0.000 0.289 44 W C 1.336 177.864 176.519 0.016 0.000 0.926 44 W CA 0.571 57.923 57.345 0.011 0.000 1.153 44 W CB -0.482 28.985 29.460 0.012 0.000 1.205 44 W HN 0.297 nan 8.180 nan 0.000 0.481 45 L N 1.847 123.440 121.223 0.616 0.000 2.351 45 L HA -0.218 4.123 4.340 0.001 0.000 0.220 45 L C 1.751 178.759 176.870 0.230 0.000 1.127 45 L CA 1.799 56.861 54.840 0.369 0.000 0.786 45 L CB -2.094 40.086 42.059 0.201 0.000 0.914 45 L HN 0.098 nan 8.230 nan 0.000 0.443 46 D N -0.138 120.379 120.400 0.195 0.000 2.087 46 D HA -0.153 4.488 4.640 0.001 0.000 0.201 46 D C 2.209 178.570 176.300 0.102 0.000 0.980 46 D CA 0.950 55.041 54.000 0.151 0.000 0.849 46 D CB -0.154 40.716 40.800 0.117 0.000 1.001 46 D HN 0.110 nan 8.370 nan 0.000 0.452 47 R N 0.474 121.006 120.500 0.055 0.000 2.140 47 R HA -0.156 4.184 4.340 0.001 0.000 0.250 47 R C 2.352 178.616 176.300 -0.060 0.000 1.150 47 R CA 1.132 57.223 56.100 -0.016 0.000 0.966 47 R CB -0.431 29.850 30.300 -0.031 0.000 0.869 47 R HN 0.176 nan 8.270 nan 0.000 0.445 48 L N -1.054 120.165 121.223 -0.006 0.000 2.027 48 L HA -0.199 4.142 4.340 0.001 0.000 0.206 48 L C 2.322 179.158 176.870 -0.058 0.000 1.074 48 L CA 1.440 56.267 54.840 -0.022 0.000 0.745 48 L CB -0.694 41.401 42.059 0.060 0.000 0.898 48 L HN 0.253 nan 8.230 nan 0.000 0.433 49 Y N 0.444 120.697 120.300 -0.080 0.000 2.128 49 Y HA -0.369 4.181 4.550 0.001 0.000 0.284 49 Y C 2.753 178.488 175.900 -0.275 0.000 1.154 49 Y CA 1.971 60.004 58.100 -0.112 0.000 1.149 49 Y CB -0.251 38.179 38.460 -0.050 0.000 0.976 49 Y HN 0.078 nan 8.280 nan 0.000 0.505 50 M N -0.460 118.918 119.600 -0.371 0.000 2.110 50 M HA -0.315 4.166 4.480 0.001 0.000 0.257 50 M C 2.009 177.735 176.300 -0.957 0.000 1.071 50 M CA 2.342 57.042 55.300 -1.000 0.000 1.096 50 M CB -0.535 31.708 32.600 -0.595 0.000 1.300 50 M HN 0.405 nan 8.290 nan 0.000 0.411 51 L N -0.503 120.424 121.223 -0.494 0.000 1.944 51 L HA -0.274 4.067 4.340 0.001 0.000 0.218 51 L C 2.406 179.050 176.870 -0.377 0.000 1.075 51 L CA 1.812 56.439 54.840 -0.355 0.000 0.767 51 L CB -1.391 40.540 42.059 -0.213 0.000 0.890 51 L HN 0.267 nan 8.230 nan 0.000 0.434 52 V N 0.657 120.354 119.914 -0.361 0.000 2.248 52 V HA -0.414 3.707 4.120 0.001 0.000 0.254 52 V C 2.579 178.458 176.094 -0.358 0.000 1.050 52 V CA 2.474 64.562 62.300 -0.353 0.000 1.063 52 V CB -1.786 29.767 31.823 -0.451 0.000 0.688 52 V HN 0.682 nan 8.190 nan 0.000 0.474 53 G N -0.984 107.515 108.800 -0.502 0.000 2.649 53 G HA2 -0.375 3.586 3.960 0.001 0.000 0.220 53 G HA3 -0.375 3.586 3.960 0.001 0.000 0.220 53 G C 1.538 176.399 174.900 -0.065 0.000 1.189 53 G CA 2.273 47.230 45.100 -0.238 0.000 0.777 53 G HN 0.537 nan 8.290 nan 0.000 0.602 54 T N 1.095 115.594 114.554 -0.092 0.000 2.602 54 T HA -0.318 4.033 4.350 0.001 0.000 0.264 54 T C 2.212 176.819 174.700 -0.156 0.000 1.085 54 T CA 1.596 63.631 62.100 -0.108 0.000 1.164 54 T CB -0.547 68.095 68.868 -0.377 0.000 0.860 54 T HN 0.257 nan 8.240 nan 0.000 0.442 55 L N 0.763 121.876 121.223 -0.184 0.000 1.978 55 L HA -0.249 4.091 4.340 0.001 0.000 0.218 55 L C 2.787 179.620 176.870 -0.061 0.000 1.075 55 L CA 2.114 56.880 54.840 -0.123 0.000 0.767 55 L CB -0.813 41.172 42.059 -0.124 0.000 0.890 55 L HN 0.363 nan 8.230 nan 0.000 0.434 56 A N -0.150 122.624 122.820 -0.077 0.000 1.896 56 A HA -0.362 3.958 4.320 0.001 0.000 0.220 56 A C 2.465 180.053 177.584 0.007 0.000 1.206 56 A CA 2.733 54.732 52.037 -0.063 0.000 0.647 56 A CB -1.396 17.543 19.000 -0.101 0.000 0.828 56 A HN 0.703 nan 8.150 nan 0.000 0.455 57 A N -0.557 122.301 122.820 0.063 0.000 1.903 57 A HA -0.150 4.171 4.320 0.001 0.000 0.219 57 A C 2.008 179.806 177.584 0.357 0.000 1.191 57 A CA 2.028 54.188 52.037 0.206 0.000 0.638 57 A CB -0.729 18.445 19.000 0.289 0.000 0.823 57 A HN 0.468 nan 8.150 nan 0.000 0.451 58 I N 0.224 120.933 120.570 0.232 0.000 2.044 58 I HA -0.308 3.862 4.170 0.001 0.000 0.234 58 I C 2.353 178.594 176.117 0.207 0.000 1.031 58 I CA 1.985 63.433 61.300 0.248 0.000 1.305 58 I CB -0.789 37.294 38.000 0.139 0.000 1.026 58 I HN 0.611 nan 8.210 nan 0.000 0.392 59 I N -1.037 119.588 120.570 0.091 0.000 2.479 59 I HA -0.330 3.841 4.170 0.001 0.000 0.258 59 I C 2.348 178.560 176.117 0.158 0.000 1.165 59 I CA 1.969 63.299 61.300 0.051 0.000 1.422 59 I CB -0.995 36.999 38.000 -0.010 0.000 1.087 59 I HN 0.305 nan 8.210 nan 0.000 0.441 60 H N 1.330 120.464 119.070 0.108 0.000 2.260 60 H HA 0.146 4.703 4.556 0.001 0.000 0.304 60 H C 2.329 177.875 175.328 0.363 0.000 1.059 60 H CA 1.764 57.903 56.048 0.151 0.000 1.305 60 H CB -0.973 28.787 29.762 -0.003 0.000 1.388 60 H HN 0.316 nan 8.280 nan 0.000 0.496 61 G N 0.397 109.558 108.800 0.603 0.000 2.529 61 G HA2 -0.274 3.687 3.960 0.001 0.000 0.219 61 G HA3 -0.274 3.687 3.960 0.001 0.000 0.219 61 G C 1.947 176.944 174.900 0.163 0.000 1.177 61 G CA 1.926 47.185 45.100 0.265 0.000 0.773 61 G HN 0.393 nan 8.290 nan 0.000 0.573 62 V N 1.790 121.814 119.914 0.183 0.000 2.380 62 V HA -0.227 3.893 4.120 0.001 0.000 0.251 62 V C 3.348 179.492 176.094 0.084 0.000 1.063 62 V CA 2.107 64.471 62.300 0.106 0.000 1.055 62 V CB -1.076 30.730 31.823 -0.028 0.000 0.657 62 V HN 0.536 nan 8.190 nan 0.000 0.455 63 A N -0.352 122.533 122.820 0.109 0.000 1.948 63 A HA -0.209 4.111 4.320 0.001 0.000 0.220 63 A C 2.258 179.892 177.584 0.084 0.000 1.177 63 A CA 2.015 54.109 52.037 0.096 0.000 0.636 63 A CB -0.498 18.593 19.000 0.152 0.000 0.815 63 A HN 0.425 nan 8.150 nan 0.000 0.449 64 L N 0.215 121.482 121.223 0.074 0.000 2.044 64 L HA -0.041 4.300 4.340 0.001 0.000 0.205 64 L C -0.568 176.337 176.870 0.057 0.000 1.075 64 L CA 2.398 57.269 54.840 0.051 0.000 0.747 64 L CB -1.841 40.232 42.059 0.024 0.000 0.903 64 L HN 0.226 nan 8.230 nan 0.000 0.435 65 P HA -0.193 nan 4.420 nan 0.000 0.215 65 P C 2.238 179.582 177.300 0.075 0.000 1.153 65 P CA 1.358 64.495 63.100 0.062 0.000 0.853 65 P CB -0.040 31.707 31.700 0.078 0.000 0.788 66 L N -1.352 119.917 121.223 0.076 0.000 2.010 66 L HA -0.254 4.087 4.340 0.001 0.000 0.219 66 L C 2.862 179.802 176.870 0.116 0.000 1.077 66 L CA 2.090 56.980 54.840 0.082 0.000 0.773 66 L CB -1.202 40.901 42.059 0.073 0.000 0.892 66 L HN 0.007 nan 8.230 nan 0.000 0.436 67 M N -0.844 118.838 119.600 0.136 0.000 2.116 67 M HA -0.284 4.197 4.480 0.001 0.000 0.255 67 M C 2.214 178.623 176.300 0.181 0.000 1.075 67 M CA 1.975 57.393 55.300 0.197 0.000 1.087 67 M CB -0.273 32.424 32.600 0.161 0.000 1.340 67 M HN 0.125 nan 8.290 nan 0.000 0.402 68 M N -0.826 118.850 119.600 0.126 0.000 2.077 68 M HA -0.118 4.363 4.480 0.001 0.000 0.261 68 M C 2.222 178.620 176.300 0.162 0.000 1.070 68 M CA 1.474 56.848 55.300 0.123 0.000 1.125 68 M CB -1.744 30.895 32.600 0.064 0.000 1.339 68 M HN 0.477 nan 8.290 nan 0.000 0.409 69 L N 1.177 122.471 121.223 0.117 0.000 1.997 69 L HA -0.251 4.090 4.340 0.001 0.000 0.216 69 L C 2.257 179.184 176.870 0.095 0.000 1.074 69 L CA 1.807 56.705 54.840 0.097 0.000 0.763 69 L CB -0.882 41.213 42.059 0.059 0.000 0.890 69 L HN 0.160 nan 8.230 nan 0.000 0.434 70 I N -0.672 119.947 120.570 0.081 0.000 2.068 70 I HA -0.371 3.800 4.170 0.001 0.000 0.238 70 I C 2.520 178.614 176.117 -0.038 0.000 1.046 70 I CA 1.972 63.277 61.300 0.007 0.000 1.306 70 I CB -1.685 36.319 38.000 0.006 0.000 1.023 70 I HN 0.384 nan 8.210 nan 0.000 0.399 71 F N 1.908 121.755 119.950 -0.172 0.000 2.214 71 F HA -0.234 4.294 4.527 0.001 0.000 0.302 71 F C 2.147 177.869 175.800 -0.130 0.000 1.063 71 F CA 1.497 59.352 58.000 -0.242 0.000 1.319 71 F CB -0.703 38.225 39.000 -0.120 0.000 1.046 71 F HN 0.071 nan 8.300 nan 0.000 0.505 72 G N 0.023 108.943 108.800 0.200 0.000 2.556 72 G HA2 -0.267 3.693 3.960 0.001 0.000 0.215 72 G HA3 -0.267 3.693 3.960 0.001 0.000 0.215 72 G C 1.301 176.191 174.900 -0.017 0.000 1.258 72 G CA 0.870 46.053 45.100 0.139 0.000 0.811 72 G HN 0.317 nan 8.290 nan 0.000 0.557 73 D N 0.856 121.237 120.400 -0.032 0.000 2.157 73 D HA -0.241 4.399 4.640 0.001 0.000 0.191 73 D C 2.652 178.880 176.300 -0.121 0.000 1.004 73 D CA 1.912 55.873 54.000 -0.065 0.000 0.854 73 D CB -0.464 40.298 40.800 -0.063 0.000 0.936 73 D HN 0.562 nan 8.370 nan 0.000 0.446 74 M N -0.905 118.570 119.600 -0.208 0.000 2.175 74 M HA -0.051 4.430 4.480 0.001 0.000 0.264 74 M C 1.855 178.029 176.300 -0.210 0.000 1.063 74 M CA 1.648 56.796 55.300 -0.254 0.000 1.119 74 M CB -0.575 31.846 32.600 -0.299 0.000 1.377 74 M HN -0.263 nan 8.290 nan 0.000 0.415 75 T N 0.499 114.872 114.554 -0.301 0.000 2.995 75 T HA -0.089 4.262 4.350 0.001 0.000 0.269 75 T C 1.492 176.206 174.700 0.023 0.000 1.091 75 T CA 1.347 63.333 62.100 -0.190 0.000 1.128 75 T CB -0.302 68.384 68.868 -0.303 0.000 0.891 75 T HN 0.490 nan 8.240 nan 0.000 0.492 76 D N 0.720 121.116 120.400 -0.008 0.000 2.149 76 D HA 0.025 4.665 4.640 0.001 0.000 0.206 76 D C 2.261 178.573 176.300 0.019 0.000 0.967 76 D CA 0.640 54.644 54.000 0.006 0.000 0.848 76 D CB 0.157 40.946 40.800 -0.018 0.000 0.998 76 D HN 0.206 nan 8.370 nan 0.000 0.474 77 S N 0.254 115.963 115.700 0.015 0.000 2.368 77 S HA -0.146 4.325 4.470 0.001 0.000 0.225 77 S C 1.730 176.377 174.600 0.079 0.000 1.030 77 S CA 0.492 58.705 58.200 0.021 0.000 0.999 77 S CB -0.427 62.770 63.200 -0.005 0.000 0.844 77 S HN 0.271 nan 8.310 nan 0.000 0.459 78 F N 2.569 122.484 119.950 -0.059 0.000 2.095 78 F HA -0.153 4.375 4.527 0.001 0.000 0.298 78 F C 2.414 178.204 175.800 -0.018 0.000 1.104 78 F CA 0.916 58.900 58.000 -0.027 0.000 1.232 78 F CB -0.899 38.081 39.000 -0.034 0.000 0.987 78 F HN 0.183 nan 8.300 nan 0.000 0.475 79 A N -0.938 121.905 122.820 0.039 0.000 1.933 79 A HA -0.160 4.161 4.320 0.001 0.000 0.218 79 A C 2.377 179.901 177.584 -0.100 0.000 1.175 79 A CA 1.953 53.958 52.037 -0.053 0.000 0.628 79 A CB -1.168 17.835 19.000 0.005 0.000 0.814 79 A HN 0.416 nan 8.150 nan 0.000 0.444 80 S N -0.252 115.407 115.700 -0.069 0.000 2.353 80 S HA -0.156 4.315 4.470 0.001 0.000 0.222 80 S C 1.893 176.435 174.600 -0.097 0.000 1.035 80 S CA 1.546 59.702 58.200 -0.073 0.000 1.025 80 S CB -0.627 62.546 63.200 -0.045 0.000 0.902 80 S HN 0.363 nan 8.310 nan 0.000 0.440 81 V N 1.678 121.527 119.914 -0.108 0.000 2.392 81 V HA -0.169 3.951 4.120 0.001 0.000 0.249 81 V C 2.532 178.522 176.094 -0.173 0.000 1.059 81 V CA 1.944 64.168 62.300 -0.126 0.000 1.051 81 V CB -1.431 30.314 31.823 -0.129 0.000 0.658 81 V HN 0.615 nan 8.190 nan 0.000 0.455 82 G N -0.963 107.694 108.800 -0.237 0.000 2.511 82 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 82 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 82 G C 1.414 176.213 174.900 -0.168 0.000 1.133 82 G CA 0.762 45.726 45.100 -0.226 0.000 0.792 82 G HN 0.594 nan 8.290 nan 0.000 0.539 83 N N -0.237 118.374 118.700 -0.149 0.000 2.173 83 N HA -0.083 4.658 4.740 0.001 0.000 0.184 83 N C 2.169 177.610 175.510 -0.115 0.000 1.025 83 N CA 0.808 53.776 53.050 -0.136 0.000 0.852 83 N CB 0.082 38.489 38.487 -0.133 0.000 0.998 83 N HN 0.103 nan 8.380 nan 0.000 0.427 84 V N 0.417 120.270 119.914 -0.101 0.000 2.515 84 V HA -0.116 4.004 4.120 0.001 0.000 0.250 84 V C 2.072 178.115 176.094 -0.085 0.000 1.058 84 V CA 1.316 63.566 62.300 -0.082 0.000 1.064 84 V CB -0.291 31.492 31.823 -0.067 0.000 0.675 84 V HN 0.287 nan 8.190 nan 0.000 0.461 85 S N -0.319 115.319 115.700 -0.102 0.000 2.447 85 S HA -0.151 4.319 4.470 0.001 0.000 0.233 85 S C 1.981 176.513 174.600 -0.113 0.000 1.006 85 S CA 1.256 59.392 58.200 -0.106 0.000 0.957 85 S CB -0.186 62.937 63.200 -0.128 0.000 0.773 85 S HN 0.517 nan 8.310 nan 0.000 0.507 86 K N 2.567 122.896 120.400 -0.118 0.000 2.167 86 K HA 0.115 4.436 4.320 0.001 0.000 0.203 86 K C 1.650 178.193 176.600 -0.095 0.000 1.052 86 K CA 1.112 57.329 56.287 -0.116 0.000 0.956 86 K CB -0.482 31.944 32.500 -0.125 0.000 0.735 86 K HN 0.414 nan 8.250 nan 0.000 0.451 87 N N -0.553 118.096 118.700 -0.086 0.000 2.135 87 N HA -0.173 4.567 4.740 0.001 0.000 0.186 87 N C 0.803 176.276 175.510 -0.062 0.000 1.027 87 N CA 1.020 54.027 53.050 -0.071 0.000 0.849 87 N CB 0.014 38.462 38.487 -0.064 0.000 1.002 87 N HN 0.218 nan 8.380 nan 0.000 0.425 88 S N -0.159 115.504 115.700 -0.062 0.000 4.105 88 S HA -0.408 4.063 4.470 0.001 0.000 0.539 88 S C 0.745 175.319 174.600 -0.044 0.000 1.658 88 S CA 3.931 62.099 58.200 -0.054 0.000 3.958 88 S CB -2.086 61.078 63.200 -0.060 0.000 1.434 88 S HN 0.986 nan 8.310 nan 0.000 0.537 89 T N -0.224 114.305 114.554 -0.042 0.000 3.547 89 T HA -0.242 4.108 4.350 0.001 0.000 0.359 89 T C 0.209 174.891 174.700 -0.030 0.000 0.762 89 T CA 2.052 64.131 62.100 -0.035 0.000 1.807 89 T CB -2.022 66.825 68.868 -0.035 0.000 1.861 89 T HN 0.745 nan 8.240 nan 0.000 0.693 90 N N -0.398 118.285 118.700 -0.029 0.000 3.621 90 N HA 0.500 5.241 4.740 0.001 0.000 0.345 90 N C -0.458 175.039 175.510 -0.022 0.000 1.646 90 N CA -0.727 52.308 53.050 -0.025 0.000 0.731 90 N CB 0.069 38.540 38.487 -0.026 0.000 2.435 90 N HN 0.370 nan 8.380 nan 0.000 0.613 91 M N 1.038 120.627 119.600 -0.019 0.000 2.687 91 M HA -0.071 4.409 4.480 0.001 0.000 0.468 91 M C 1.237 177.528 176.300 -0.014 0.000 1.664 91 M CA 0.439 55.730 55.300 -0.015 0.000 1.041 91 M CB -0.775 31.816 32.600 -0.015 0.000 2.011 91 M HN 0.428 nan 8.290 nan 0.000 0.504 92 S N 1.739 117.432 115.700 -0.012 0.000 2.395 92 S HA -0.120 4.350 4.470 0.001 0.000 0.225 92 S C 1.972 176.571 174.600 -0.002 0.000 1.027 92 S CA 1.155 59.349 58.200 -0.010 0.000 0.965 92 S CB 0.004 63.199 63.200 -0.009 0.000 0.812 92 S HN 0.865 nan 8.310 nan 0.000 0.482 93 E N 1.721 121.921 120.200 0.000 0.000 2.072 93 E HA 0.041 4.392 4.350 0.001 0.000 0.190 93 E C 2.060 178.664 176.600 0.008 0.000 0.982 93 E CA 1.208 57.612 56.400 0.006 0.000 0.803 93 E CB -1.081 28.620 29.700 0.003 0.000 0.755 93 E HN 0.491 nan 8.360 nan 0.000 0.453 94 A N 1.538 124.358 122.820 0.001 0.000 2.070 94 A HA -0.165 4.156 4.320 0.001 0.000 0.220 94 A C 1.799 179.385 177.584 0.004 0.000 1.159 94 A CA 1.676 53.713 52.037 -0.000 0.000 0.656 94 A CB -0.320 18.675 19.000 -0.007 0.000 0.800 94 A HN 0.174 nan 8.150 nan 0.000 0.453 95 D N -0.453 119.949 120.400 0.002 0.000 2.183 95 D HA -0.036 4.605 4.640 0.001 0.000 0.205 95 D C 1.832 178.146 176.300 0.023 0.000 0.962 95 D CA 0.887 54.888 54.000 0.002 0.000 0.849 95 D CB -0.140 40.653 40.800 -0.013 0.000 0.978 95 D HN 0.449 nan 8.370 nan 0.000 0.488 96 K N 0.820 121.241 120.400 0.035 0.000 2.063 96 K HA -0.101 4.219 4.320 0.001 0.000 0.208 96 K C 2.223 178.901 176.600 0.130 0.000 1.048 96 K CA 0.993 57.326 56.287 0.075 0.000 0.928 96 K CB 0.065 32.608 32.500 0.073 0.000 0.713 96 K HN 0.060 nan 8.250 nan 0.000 0.442 97 R N 0.282 120.830 120.500 0.080 0.000 2.062 97 R HA -0.001 4.339 4.340 0.001 0.000 0.229 97 R C 2.470 178.814 176.300 0.073 0.000 1.128 97 R CA 1.085 57.225 56.100 0.068 0.000 0.960 97 R CB -0.338 29.974 30.300 0.020 0.000 0.855 97 R HN 0.156 nan 8.270 nan 0.000 0.432 98 A N 0.926 123.774 122.820 0.047 0.000 1.898 98 A HA -0.154 4.167 4.320 0.001 0.000 0.216 98 A C 2.013 179.627 177.584 0.051 0.000 1.181 98 A CA 1.388 53.446 52.037 0.035 0.000 0.620 98 A CB -0.239 18.767 19.000 0.009 0.000 0.819 98 A HN 0.095 nan 8.150 nan 0.000 0.442 99 M N -2.037 117.596 119.600 0.055 0.000 2.200 99 M HA 0.125 4.606 4.480 0.001 0.000 0.265 99 M C 1.812 178.174 176.300 0.102 0.000 1.066 99 M CA 0.860 56.187 55.300 0.045 0.000 1.127 99 M CB -0.921 31.681 32.600 0.003 0.000 1.379 99 M HN 0.447 nan 8.290 nan 0.000 0.420 100 F N 0.855 120.801 119.950 -0.008 0.000 2.084 100 F HA -0.048 4.479 4.527 0.000 0.000 0.296 100 F C 2.353 178.154 175.800 0.001 0.000 1.111 100 F CA 1.246 59.244 58.000 -0.004 0.000 1.224 100 F CB -1.020 37.974 39.000 -0.010 0.000 0.991 100 F HN 0.133 nan 8.300 nan 0.000 0.471 101 A N 0.357 123.338 122.820 0.267 0.000 1.903 101 A HA -0.253 4.068 4.320 0.001 0.000 0.219 101 A C 2.290 179.941 177.584 0.111 0.000 1.191 101 A CA 2.067 54.181 52.037 0.128 0.000 0.638 101 A CB -0.662 18.371 19.000 0.054 0.000 0.823 101 A HN 0.291 nan 8.150 nan 0.000 0.451 102 K N -0.794 119.663 120.400 0.094 0.000 2.155 102 K HA -0.053 4.268 4.320 0.001 0.000 0.203 102 K C 1.906 178.550 176.600 0.075 0.000 1.052 102 K CA 1.123 57.446 56.287 0.060 0.000 0.948 102 K CB -0.859 31.666 32.500 0.043 0.000 0.728 102 K HN 0.498 nan 8.250 nan 0.000 0.448 103 L N 2.541 123.831 121.223 0.113 0.000 1.955 103 L HA -0.231 4.110 4.340 0.001 0.000 0.213 103 L C 2.274 179.219 176.870 0.126 0.000 1.072 103 L CA 2.205 57.114 54.840 0.114 0.000 0.755 103 L CB -0.923 41.154 42.059 0.031 0.000 0.888 103 L HN 0.351 nan 8.230 nan 0.000 0.432 104 E N -1.057 119.256 120.200 0.187 0.000 2.118 104 E HA -0.293 4.058 4.350 0.001 0.000 0.195 104 E C 1.979 178.614 176.600 0.058 0.000 0.992 104 E CA 1.339 57.837 56.400 0.164 0.000 0.804 104 E CB -0.810 29.024 29.700 0.223 0.000 0.741 104 E HN 0.757 nan 8.360 nan 0.000 0.458 105 E N 1.202 121.421 120.200 0.033 0.000 2.038 105 E HA -0.275 4.076 4.350 0.001 0.000 0.195 105 E C 2.001 178.529 176.600 -0.120 0.000 1.000 105 E CA 1.814 58.194 56.400 -0.032 0.000 0.803 105 E CB 0.012 29.700 29.700 -0.020 0.000 0.750 105 E HN 0.260 nan 8.360 nan 0.000 0.448 106 E N 0.427 120.525 120.200 -0.171 0.000 2.216 106 E HA -0.079 4.272 4.350 0.001 0.000 0.192 106 E C 2.145 178.377 176.600 -0.613 0.000 0.988 106 E CA 0.728 56.861 56.400 -0.446 0.000 0.834 106 E CB -0.345 29.057 29.700 -0.497 0.000 0.772 106 E HN 0.287 nan 8.360 nan 0.000 0.479 107 M N -0.342 119.170 119.600 -0.147 0.000 2.195 107 M HA -0.198 4.283 4.480 0.001 0.000 0.260 107 M C 1.516 177.891 176.300 0.125 0.000 1.066 107 M CA 1.800 57.236 55.300 0.227 0.000 1.089 107 M CB -0.107 32.634 32.600 0.235 0.000 1.377 107 M HN 0.103 nan 8.290 nan 0.000 0.411 108 T N -0.254 114.255 114.554 -0.074 0.000 2.735 108 T HA -0.095 4.255 4.350 0.001 0.000 0.256 108 T C 1.557 176.078 174.700 -0.299 0.000 1.042 108 T CA 1.933 63.891 62.100 -0.238 0.000 1.147 108 T CB -0.555 68.118 68.868 -0.326 0.000 0.865 108 T HN 0.437 nan 8.240 nan 0.000 0.421 109 T N 1.481 115.870 114.554 -0.275 0.000 2.751 109 T HA -0.180 4.170 4.350 0.001 0.000 0.268 109 T C 1.587 176.334 174.700 0.079 0.000 1.045 109 T CA 1.494 63.494 62.100 -0.167 0.000 1.142 109 T CB -0.512 68.198 68.868 -0.262 0.000 0.851 109 T HN 0.394 nan 8.240 nan 0.000 0.474 110 Y N 1.357 121.776 120.300 0.198 0.000 2.153 110 Y HA 0.172 4.723 4.550 0.001 0.000 0.289 110 Y C 2.726 179.027 175.900 0.668 0.000 1.127 110 Y CA -0.041 58.374 58.100 0.525 0.000 1.131 110 Y CB -1.443 37.231 38.460 0.358 0.000 0.995 110 Y HN 0.190 nan 8.280 nan 0.000 0.505 111 A N 0.154 123.332 122.820 0.596 0.000 1.852 111 A HA -0.287 4.034 4.320 0.001 0.000 0.217 111 A C 2.106 179.988 177.584 0.497 0.000 1.215 111 A CA 2.148 54.572 52.037 0.644 0.000 0.641 111 A CB -1.736 17.473 19.000 0.347 0.000 0.838 111 A HN 0.637 nan 8.150 nan 0.000 0.450 112 Y N -1.633 118.803 120.300 0.227 0.000 2.446 112 Y HA -0.290 4.261 4.550 0.002 0.000 0.287 112 Y C 2.343 178.320 175.900 0.129 0.000 1.159 112 Y CA 1.080 59.241 58.100 0.102 0.000 1.297 112 Y CB -0.491 38.027 38.460 0.096 0.000 0.974 112 Y HN 0.722 nan 8.280 nan 0.000 0.557 113 Y N 0.632 121.120 120.300 0.313 0.000 2.138 113 Y HA -0.278 4.272 4.550 0.001 0.000 0.286 113 Y C 2.542 178.599 175.900 0.262 0.000 1.115 113 Y CA 1.037 59.295 58.100 0.263 0.000 1.105 113 Y CB -1.495 37.145 38.460 0.299 0.000 1.004 113 Y HN 0.143 nan 8.280 nan 0.000 0.494 114 Y N 0.535 120.370 120.300 -0.775 0.000 2.242 114 Y HA -0.007 4.544 4.550 0.001 0.000 0.291 114 Y C 2.126 177.911 175.900 -0.192 0.000 1.137 114 Y CA 1.483 59.209 58.100 -0.623 0.000 1.181 114 Y CB -1.586 36.691 38.460 -0.304 0.000 0.989 114 Y HN 0.128 nan 8.280 nan 0.000 0.527 115 T N 0.951 114.996 114.554 -0.848 0.000 2.665 115 T HA -0.150 4.201 4.350 0.001 0.000 0.268 115 T C 2.069 176.522 174.700 -0.413 0.000 1.035 115 T CA 1.874 63.560 62.100 -0.689 0.000 1.151 115 T CB -1.118 67.510 68.868 -0.401 0.000 0.862 115 T HN 0.671 nan 8.240 nan 0.000 0.438 116 G N 2.153 110.811 108.800 -0.237 0.000 2.705 116 G HA2 -0.123 3.838 3.960 0.001 0.000 0.214 116 G HA3 -0.123 3.838 3.960 0.001 0.000 0.214 116 G C 1.404 176.168 174.900 -0.226 0.000 1.321 116 G CA 0.562 45.563 45.100 -0.165 0.000 0.826 116 G HN 0.340 nan 8.290 nan 0.000 0.595 117 I N 2.248 122.731 120.570 -0.145 0.000 2.147 117 I HA -0.239 3.931 4.170 0.001 0.000 0.245 117 I C 2.920 178.818 176.117 -0.366 0.000 1.059 117 I CA 1.676 62.889 61.300 -0.145 0.000 1.320 117 I CB -1.781 36.212 38.000 -0.013 0.000 1.021 117 I HN 0.298 nan 8.210 nan 0.000 0.415 118 G N 0.591 108.979 108.800 -0.686 0.000 2.736 118 G HA2 -0.213 3.748 3.960 0.001 0.000 0.214 118 G HA3 -0.213 3.748 3.960 0.001 0.000 0.214 118 G C 1.860 176.054 174.900 -1.177 0.000 1.327 118 G CA 1.840 45.919 45.100 -1.702 0.000 0.818 118 G HN 0.515 nan 8.290 nan 0.000 0.611 119 A N 0.661 122.943 122.820 -0.897 0.000 1.969 119 A HA -0.128 4.193 4.320 0.001 0.000 0.223 119 A C 2.689 180.048 177.584 -0.374 0.000 1.218 119 A CA 2.968 54.711 52.037 -0.490 0.000 0.667 119 A CB -1.474 17.333 19.000 -0.322 0.000 0.826 119 A HN 0.970 nan 8.150 nan 0.000 0.472 120 G N -0.293 108.302 108.800 -0.341 0.000 2.639 120 G HA2 -0.236 3.725 3.960 0.001 0.000 0.216 120 G HA3 -0.236 3.725 3.960 0.001 0.000 0.216 120 G C 1.716 176.460 174.900 -0.261 0.000 1.267 120 G CA 3.166 48.124 45.100 -0.237 0.000 0.801 120 G HN 1.325 nan 8.290 nan 0.000 0.592 121 V N 0.250 120.011 119.914 -0.255 0.000 2.242 121 V HA -0.313 3.808 4.120 0.001 0.000 0.257 121 V C 2.608 178.493 176.094 -0.349 0.000 1.073 121 V CA 2.512 64.665 62.300 -0.245 0.000 1.058 121 V CB -1.225 30.549 31.823 -0.082 0.000 0.664 121 V HN 0.317 nan 8.190 nan 0.000 0.451 122 L N 0.470 121.515 121.223 -0.297 0.000 1.941 122 L HA -0.187 4.154 4.340 0.001 0.000 0.224 122 L C 2.419 179.172 176.870 -0.194 0.000 1.081 122 L CA 2.681 57.386 54.840 -0.225 0.000 0.784 122 L CB -0.832 41.109 42.059 -0.198 0.000 0.894 122 L HN 0.439 nan 8.230 nan 0.000 0.436 123 I N -0.878 119.592 120.570 -0.167 0.000 2.064 123 I HA -0.395 3.775 4.170 0.001 0.000 0.234 123 I C 2.495 178.545 176.117 -0.112 0.000 1.019 123 I CA 2.580 63.823 61.300 -0.094 0.000 1.301 123 I CB -0.954 36.989 38.000 -0.096 0.000 1.017 123 I HN 0.439 nan 8.210 nan 0.000 0.392 124 V N 0.102 119.899 119.914 -0.195 0.000 2.317 124 V HA -0.331 3.790 4.120 0.001 0.000 0.251 124 V C 2.594 178.500 176.094 -0.313 0.000 1.065 124 V CA 1.889 64.050 62.300 -0.231 0.000 1.049 124 V CB -1.790 29.883 31.823 -0.250 0.000 0.651 124 V HN 0.483 nan 8.190 nan 0.000 0.450 125 A N 0.187 122.705 122.820 -0.503 0.000 1.849 125 A HA -0.287 4.034 4.320 0.001 0.000 0.217 125 A C 2.232 179.683 177.584 -0.222 0.000 1.202 125 A CA 2.390 54.075 52.037 -0.587 0.000 0.629 125 A CB -1.354 17.173 19.000 -0.788 0.000 0.834 125 A HN 0.859 nan 8.150 nan 0.000 0.447 126 Y N 0.893 121.051 120.300 -0.236 0.000 2.132 126 Y HA -0.299 4.251 4.550 0.001 0.000 0.280 126 Y C 2.026 177.903 175.900 -0.039 0.000 1.193 126 Y CA 1.728 59.763 58.100 -0.110 0.000 1.157 126 Y CB -0.352 38.041 38.460 -0.112 0.000 0.966 126 Y HN 0.283 nan 8.280 nan 0.000 0.511 127 I N 1.161 121.631 120.570 -0.167 0.000 2.113 127 I HA -0.363 3.808 4.170 0.001 0.000 0.238 127 I C 2.637 178.718 176.117 -0.059 0.000 1.070 127 I CA 2.113 63.302 61.300 -0.186 0.000 1.332 127 I CB -1.775 36.147 38.000 -0.130 0.000 1.044 127 I HN 0.493 nan 8.210 nan 0.000 0.402 128 Q N 0.999 120.782 119.800 -0.029 0.000 2.133 128 Q HA -0.200 4.141 4.340 0.001 0.000 0.208 128 Q C 2.098 178.232 176.000 0.224 0.000 0.991 128 Q CA 2.306 58.179 55.803 0.116 0.000 0.867 128 Q CB -1.147 27.630 28.738 0.065 0.000 0.911 128 Q HN 0.342 nan 8.270 nan 0.000 0.417 129 V N 1.568 121.579 119.914 0.163 0.000 2.287 129 V HA -0.285 3.836 4.120 0.001 0.000 0.248 129 V C 2.450 178.670 176.094 0.210 0.000 1.053 129 V CA 2.066 64.489 62.300 0.205 0.000 1.027 129 V CB -0.827 31.104 31.823 0.180 0.000 0.646 129 V HN 0.437 nan 8.190 nan 0.000 0.447 130 S N -0.345 115.425 115.700 0.117 0.000 2.383 130 S HA -0.213 4.258 4.470 0.001 0.000 0.229 130 S C 1.659 176.588 174.600 0.549 0.000 1.030 130 S CA 1.957 60.280 58.200 0.204 0.000 1.002 130 S CB -0.584 62.683 63.200 0.112 0.000 0.829 130 S HN 0.667 nan 8.310 nan 0.000 0.467 131 F N 1.989 122.173 119.950 0.391 0.000 1.993 131 F HA -0.296 4.232 4.527 0.001 0.000 0.297 131 F C 2.315 178.329 175.800 0.356 0.000 1.177 131 F CA 1.704 59.906 58.000 0.338 0.000 1.182 131 F CB -0.421 38.658 39.000 0.131 0.000 0.958 131 F HN 0.326 nan 8.300 nan 0.000 0.496 132 W N 2.565 123.924 121.300 0.097 0.000 2.323 132 W HA -0.406 4.255 4.660 0.001 0.000 0.348 132 W C 2.319 178.871 176.519 0.055 0.000 1.442 132 W CA 2.697 59.983 57.345 -0.098 0.000 1.295 132 W CB -1.523 27.890 29.460 -0.077 0.000 1.065 132 W HN 0.348 nan 8.180 nan 0.000 0.478 133 C N 0.814 120.453 119.300 0.565 0.000 6.720 133 C HA -0.248 4.213 4.460 0.001 0.000 0.286 133 C C 2.875 178.029 174.990 0.272 0.000 1.166 133 C CA 1.657 60.874 59.018 0.332 0.000 1.957 133 C CB -1.539 26.271 27.740 0.117 0.000 1.797 133 C HN 0.543 nan 8.230 nan 0.000 0.322 134 L N 0.945 122.281 121.223 0.190 0.000 2.244 134 L HA -0.415 3.926 4.340 0.001 0.000 0.239 134 L C 2.591 179.582 176.870 0.202 0.000 1.131 134 L CA 2.325 57.242 54.840 0.129 0.000 0.854 134 L CB -1.689 40.354 42.059 -0.026 0.000 0.951 134 L HN 0.710 nan 8.230 nan 0.000 0.449 135 A N -0.299 122.718 122.820 0.329 0.000 2.021 135 A HA -0.231 4.090 4.320 0.001 0.000 0.206 135 A C 2.466 180.179 177.584 0.215 0.000 1.210 135 A CA 2.648 54.888 52.037 0.338 0.000 0.733 135 A CB -1.383 17.994 19.000 0.629 0.000 0.839 135 A HN 0.509 nan 8.150 nan 0.000 0.495 136 A N -1.133 121.800 122.820 0.188 0.000 1.929 136 A HA -0.087 4.234 4.320 0.001 0.000 0.221 136 A C 2.548 180.184 177.584 0.086 0.000 1.211 136 A CA 2.967 55.054 52.037 0.085 0.000 0.657 136 A CB -1.908 17.100 19.000 0.013 0.000 0.827 136 A HN 1.445 nan 8.150 nan 0.000 0.462 137 G N 0.045 108.925 108.800 0.133 0.000 2.955 137 G HA2 -0.369 3.592 3.960 0.001 0.000 0.210 137 G HA3 -0.369 3.592 3.960 0.001 0.000 0.210 137 G C 1.527 176.471 174.900 0.073 0.000 1.364 137 G CA 1.613 46.790 45.100 0.128 0.000 0.788 137 G HN 0.716 nan 8.290 nan 0.000 0.715 138 R N -0.250 120.323 120.500 0.122 0.000 2.119 138 R HA -0.145 4.196 4.340 0.001 0.000 0.246 138 R C 2.576 178.867 176.300 -0.015 0.000 1.146 138 R CA 1.528 57.656 56.100 0.046 0.000 0.962 138 R CB -0.704 29.686 30.300 0.150 0.000 0.863 138 R HN 0.382 nan 8.270 nan 0.000 0.442 139 Q N 1.120 120.922 119.800 0.003 0.000 1.900 139 Q HA -0.190 4.150 4.340 0.001 0.000 0.219 139 Q C 2.338 178.301 176.000 -0.061 0.000 1.012 139 Q CA 1.541 57.314 55.803 -0.049 0.000 0.876 139 Q CB -0.505 28.219 28.738 -0.024 0.000 0.952 139 Q HN 0.291 nan 8.270 nan 0.000 0.419 140 I N 0.517 121.065 120.570 -0.037 0.000 2.093 140 I HA -0.376 3.795 4.170 0.001 0.000 0.239 140 I C 2.415 178.488 176.117 -0.073 0.000 1.026 140 I CA 2.256 63.534 61.300 -0.036 0.000 1.295 140 I CB -1.772 36.225 38.000 -0.006 0.000 1.007 140 I HN 0.471 nan 8.210 nan 0.000 0.401 141 H N 1.092 120.025 119.070 -0.228 0.000 2.330 141 H HA -0.296 4.261 4.556 0.001 0.000 0.290 141 H C 2.240 177.406 175.328 -0.270 0.000 1.111 141 H CA 2.967 58.797 56.048 -0.363 0.000 1.226 141 H CB -0.170 29.123 29.762 -0.782 0.000 1.355 141 H HN 0.242 nan 8.280 nan 0.000 0.485 142 K N -0.003 120.256 120.400 -0.235 0.000 1.978 142 K HA -0.094 4.226 4.320 0.001 0.000 0.214 142 K C 2.228 178.734 176.600 -0.157 0.000 1.049 142 K CA 1.725 57.888 56.287 -0.207 0.000 0.939 142 K CB -0.496 31.922 32.500 -0.136 0.000 0.721 142 K HN 0.295 nan 8.250 nan 0.000 0.441 143 I N 1.333 121.855 120.570 -0.080 0.000 2.185 143 I HA -0.320 3.851 4.170 0.001 0.000 0.246 143 I C 2.357 178.453 176.117 -0.035 0.000 1.088 143 I CA 1.448 62.733 61.300 -0.026 0.000 1.347 143 I CB -1.065 36.934 38.000 -0.001 0.000 1.041 143 I HN 0.286 nan 8.210 nan 0.000 0.415 144 R N 1.276 121.706 120.500 -0.118 0.000 2.205 144 R HA -0.221 4.120 4.340 0.001 0.000 0.221 144 R C 2.351 178.492 176.300 -0.266 0.000 1.101 144 R CA 2.050 58.033 56.100 -0.196 0.000 0.869 144 R CB -0.839 29.231 30.300 -0.384 0.000 0.815 144 R HN 0.387 nan 8.270 nan 0.000 0.434 145 Q N -0.116 119.428 119.800 -0.427 0.000 2.082 145 Q HA -0.252 4.089 4.340 0.001 0.000 0.211 145 Q C 1.913 177.898 176.000 -0.025 0.000 1.002 145 Q CA 2.148 57.774 55.803 -0.295 0.000 0.868 145 Q CB -0.242 28.317 28.738 -0.298 0.000 0.931 145 Q HN 0.237 nan 8.270 nan 0.000 0.414 146 K N 0.034 120.433 120.400 -0.002 0.000 2.211 146 K HA -0.121 4.200 4.320 0.001 0.000 0.204 146 K C 1.696 178.409 176.600 0.188 0.000 1.047 146 K CA 0.997 57.340 56.287 0.094 0.000 0.935 146 K CB -0.350 32.171 32.500 0.036 0.000 0.728 146 K HN 0.353 nan 8.250 nan 0.000 0.452 147 F N -0.140 119.816 119.950 0.010 0.000 2.147 147 F HA -0.143 4.385 4.527 0.001 0.000 0.291 147 F C 1.799 177.686 175.800 0.145 0.000 1.093 147 F CA 0.193 58.213 58.000 0.032 0.000 1.263 147 F CB 0.022 39.045 39.000 0.038 0.000 1.036 147 F HN -0.187 nan 8.300 nan 0.000 0.481 148 F N 1.084 121.040 119.950 0.010 0.000 2.008 148 F HA -0.317 4.211 4.527 0.001 0.000 0.297 148 F C 2.535 178.329 175.800 -0.010 0.000 1.156 148 F CA 2.190 60.122 58.000 -0.113 0.000 1.191 148 F CB -1.645 37.337 39.000 -0.030 0.000 0.955 148 F HN 0.128 nan 8.300 nan 0.000 0.497 149 H N -0.062 119.143 119.070 0.226 0.000 2.400 149 H HA -0.197 4.360 4.556 0.001 0.000 0.295 149 H C 1.985 177.381 175.328 0.114 0.000 1.118 149 H CA 1.725 57.856 56.048 0.138 0.000 1.256 149 H CB -0.495 29.333 29.762 0.109 0.000 1.365 149 H HN 0.223 nan 8.280 nan 0.000 0.502 150 A N 1.153 124.012 122.820 0.066 0.000 1.834 150 A HA -0.166 4.155 4.320 0.001 0.000 0.216 150 A C 2.455 180.021 177.584 -0.031 0.000 1.203 150 A CA 1.783 53.825 52.037 0.009 0.000 0.621 150 A CB -0.847 18.248 19.000 0.158 0.000 0.841 150 A HN 0.431 nan 8.150 nan 0.000 0.446 151 I N -0.092 120.470 120.570 -0.013 0.000 2.091 151 I HA -0.285 3.885 4.170 0.001 0.000 0.240 151 I C 2.216 178.173 176.117 -0.266 0.000 1.046 151 I CA 1.669 62.857 61.300 -0.186 0.000 1.306 151 I CB -1.249 36.496 38.000 -0.426 0.000 1.018 151 I HN 0.310 nan 8.210 nan 0.000 0.404 152 M N -0.027 119.410 119.600 -0.271 0.000 2.771 152 M HA -0.148 4.333 4.480 0.001 0.000 0.246 152 M C 1.398 177.705 176.300 0.011 0.000 1.054 152 M CA 0.999 56.187 55.300 -0.188 0.000 1.068 152 M CB -1.586 30.991 32.600 -0.037 0.000 1.452 152 M HN 0.405 nan 8.290 nan 0.000 0.549 153 N N -0.569 118.128 118.700 -0.004 0.000 2.211 153 N HA -0.003 4.738 4.740 0.001 0.000 0.216 153 N C 1.256 176.864 175.510 0.162 0.000 1.240 153 N CA 0.082 53.165 53.050 0.056 0.000 0.895 153 N CB 0.364 38.763 38.487 -0.146 0.000 1.102 153 N HN 0.429 nan 8.380 nan 0.000 0.498 154 Q N 1.057 120.980 119.800 0.205 0.000 2.439 154 Q HA -0.085 4.256 4.340 0.001 0.000 0.211 154 Q C -0.477 175.681 176.000 0.263 0.000 0.978 154 Q CA 0.849 56.787 55.803 0.225 0.000 0.897 154 Q CB 0.230 29.114 28.738 0.243 0.000 0.956 154 Q HN 0.122 nan 8.270 nan 0.000 0.483 155 E N -1.555 118.878 120.200 0.388 0.000 4.619 155 E HA -0.301 4.050 4.350 0.001 0.000 0.199 155 E C 0.910 177.289 176.600 -0.369 0.000 1.490 155 E CA 1.157 57.558 56.400 0.002 0.000 2.467 155 E CB -1.160 28.525 29.700 -0.026 0.000 2.095 155 E HN 0.218 nan 8.360 nan 0.000 0.456 156 I N -0.262 119.994 120.570 -0.523 0.000 2.500 156 I HA -0.393 3.777 4.170 0.001 0.000 0.236 156 I C 2.287 178.148 176.117 -0.427 0.000 0.933 156 I CA 2.664 63.602 61.300 -0.602 0.000 1.250 156 I CB -1.261 36.353 38.000 -0.643 0.000 0.957 156 I HN 0.666 nan 8.210 nan 0.000 0.405 157 G N 0.247 108.926 108.800 -0.202 0.000 2.545 157 G HA2 -0.319 3.641 3.960 0.001 0.000 0.222 157 G HA3 -0.319 3.641 3.960 0.001 0.000 0.222 157 G C 1.167 176.159 174.900 0.154 0.000 1.126 157 G CA 1.120 46.198 45.100 -0.037 0.000 0.754 157 G HN 0.803 nan 8.290 nan 0.000 0.583 158 W N -0.396 120.995 121.300 0.151 0.000 2.961 158 W HA 0.417 5.078 4.660 0.001 0.000 0.240 158 W C 1.259 177.854 176.519 0.126 0.000 1.305 158 W CA -0.046 57.436 57.345 0.228 0.000 1.465 158 W CB -0.388 29.101 29.460 0.047 0.000 1.135 158 W HN 0.047 nan 8.180 nan 0.000 0.688 159 F N 0.697 120.444 119.950 -0.338 0.000 2.619 159 F HA 0.164 4.692 4.527 0.001 0.000 0.281 159 F C 1.887 177.526 175.800 -0.269 0.000 1.065 159 F CA 0.372 58.091 58.000 -0.469 0.000 1.304 159 F CB -0.464 37.959 39.000 -0.962 0.000 1.059 159 F HN -0.306 nan 8.300 nan 0.000 0.648 160 D N 0.982 121.251 120.400 -0.218 0.000 2.157 160 D HA -0.108 4.532 4.640 0.001 0.000 0.197 160 D C 1.286 177.444 176.300 -0.237 0.000 0.995 160 D CA 2.519 56.375 54.000 -0.239 0.000 0.860 160 D CB -0.806 39.880 40.800 -0.190 0.000 1.016 160 D HN 0.218 nan 8.370 nan 0.000 0.452 161 V N -4.046 115.725 119.914 -0.238 0.000 4.247 161 V HA 0.525 4.646 4.120 0.001 0.000 0.284 161 V C 0.185 176.179 176.094 -0.166 0.000 1.349 161 V CA -0.772 61.362 62.300 -0.278 0.000 0.885 161 V CB 1.196 32.781 31.823 -0.398 0.000 1.296 161 V HN 0.497 nan 8.190 nan 0.000 0.458 162 H N -1.231 117.838 119.070 -0.001 0.000 3.278 162 H HA -0.130 4.427 4.556 0.001 0.000 0.146 162 H C -0.429 174.907 175.328 0.013 0.000 1.017 162 H CA 0.537 56.600 56.048 0.025 0.000 1.018 162 H CB -1.310 28.496 29.762 0.073 0.000 1.935 162 H HN 0.943 nan 8.280 nan 0.000 0.281 163 D N -0.076 120.423 120.400 0.164 0.000 2.474 163 D HA 0.224 4.865 4.640 0.001 0.000 0.213 163 D C 0.203 176.562 176.300 0.099 0.000 1.120 163 D CA 0.947 55.000 54.000 0.089 0.000 0.836 163 D CB 0.660 41.492 40.800 0.052 0.000 1.019 163 D HN 0.616 nan 8.370 nan 0.000 0.507 164 V N -1.400 118.589 119.914 0.124 0.000 5.919 164 V HA -0.113 4.007 4.120 0.001 0.000 0.195 164 V C 0.770 176.903 176.094 0.066 0.000 0.690 164 V CA 0.798 63.169 62.300 0.117 0.000 0.572 164 V CB -1.966 30.008 31.823 0.251 0.000 0.449 164 V HN 0.349 nan 8.190 nan 0.000 0.430 165 G N 1.550 110.357 108.800 0.012 0.000 4.359 165 G HA2 -0.003 3.958 3.960 0.001 0.000 0.184 165 G HA3 -0.003 3.958 3.960 0.001 0.000 0.184 165 G C 0.668 175.552 174.900 -0.026 0.000 1.095 165 G CA 0.523 45.621 45.100 -0.004 0.000 0.970 165 G HN 0.899 nan 8.290 nan 0.000 0.317 166 E N 1.038 121.236 120.200 -0.005 0.000 2.265 166 E HA -0.023 4.327 4.350 0.001 0.000 0.196 166 E C 2.203 178.790 176.600 -0.021 0.000 0.996 166 E CA 1.193 57.590 56.400 -0.005 0.000 0.832 166 E CB 0.132 29.843 29.700 0.018 0.000 0.756 166 E HN 0.504 nan 8.360 nan 0.000 0.491 167 L N 1.865 123.063 121.223 -0.043 0.000 2.007 167 L HA -0.190 4.151 4.340 0.001 0.000 0.205 167 L C 2.392 179.161 176.870 -0.168 0.000 1.073 167 L CA 1.900 56.681 54.840 -0.099 0.000 0.744 167 L CB -0.647 41.319 42.059 -0.155 0.000 0.898 167 L HN 0.176 nan 8.230 nan 0.000 0.435 168 N N -1.277 117.295 118.700 -0.213 0.000 2.289 168 N HA -0.193 4.548 4.740 0.001 0.000 0.184 168 N C 1.402 176.806 175.510 -0.177 0.000 1.016 168 N CA 1.826 54.709 53.050 -0.279 0.000 0.872 168 N CB -0.985 37.332 38.487 -0.284 0.000 0.973 168 N HN 0.337 nan 8.380 nan 0.000 0.433 169 T N 2.549 117.038 114.554 -0.109 0.000 2.502 169 T HA -0.227 4.124 4.350 0.001 0.000 0.258 169 T C 1.950 176.627 174.700 -0.039 0.000 1.146 169 T CA 2.568 64.632 62.100 -0.060 0.000 1.208 169 T CB -0.409 68.439 68.868 -0.034 0.000 0.864 169 T HN 0.599 nan 8.240 nan 0.000 0.402 170 R N 1.817 122.309 120.500 -0.014 0.000 2.211 170 R HA -0.053 4.287 4.340 0.001 0.000 0.240 170 R C 2.396 178.741 176.300 0.075 0.000 1.144 170 R CA 1.008 57.131 56.100 0.038 0.000 0.992 170 R CB -0.846 29.493 30.300 0.064 0.000 0.869 170 R HN 0.315 nan 8.270 nan 0.000 0.462 171 L N 1.490 122.690 121.223 -0.037 0.000 1.933 171 L HA -0.188 4.153 4.340 0.001 0.000 0.220 171 L C 1.520 178.407 176.870 0.029 0.000 1.078 171 L CA 2.766 57.536 54.840 -0.117 0.000 0.773 171 L CB -1.320 40.483 42.059 -0.426 0.000 0.890 171 L HN 0.344 nan 8.230 nan 0.000 0.434 172 T N 0.148 114.687 114.554 -0.025 0.000 2.622 172 T HA -0.202 4.149 4.350 0.001 0.000 0.266 172 T C 1.512 176.243 174.700 0.051 0.000 1.047 172 T CA 1.749 63.863 62.100 0.024 0.000 1.159 172 T CB -0.447 68.418 68.868 -0.006 0.000 0.863 172 T HN 0.382 nan 8.240 nan 0.000 0.422 173 D N 1.029 121.451 120.400 0.036 0.000 2.160 173 D HA -0.132 4.508 4.640 0.001 0.000 0.189 173 D C 2.043 178.382 176.300 0.065 0.000 1.003 173 D CA 1.437 55.464 54.000 0.045 0.000 0.846 173 D CB -0.352 40.468 40.800 0.032 0.000 0.949 173 D HN 0.286 nan 8.370 nan 0.000 0.446 174 D N -0.324 120.126 120.400 0.084 0.000 2.087 174 D HA -0.140 4.501 4.640 0.001 0.000 0.192 174 D C 2.218 178.577 176.300 0.098 0.000 0.993 174 D CA 0.612 54.668 54.000 0.094 0.000 0.828 174 D CB -0.880 39.989 40.800 0.115 0.000 0.968 174 D HN 0.069 nan 8.370 nan 0.000 0.448 175 V N 0.826 120.820 119.914 0.133 0.000 2.222 175 V HA -0.359 3.762 4.120 0.001 0.000 0.252 175 V C 2.257 178.395 176.094 0.074 0.000 1.060 175 V CA 2.793 65.162 62.300 0.114 0.000 1.027 175 V CB -0.734 31.178 31.823 0.148 0.000 0.644 175 V HN 0.162 nan 8.190 nan 0.000 0.448 176 S N -0.335 115.410 115.700 0.076 0.000 2.369 176 S HA -0.321 4.150 4.470 0.001 0.000 0.225 176 S C 1.833 176.469 174.600 0.061 0.000 1.043 176 S CA 2.300 60.541 58.200 0.068 0.000 1.074 176 S CB -0.546 62.696 63.200 0.070 0.000 0.962 176 S HN 0.682 nan 8.310 nan 0.000 0.433 177 K N 0.624 121.062 120.400 0.063 0.000 2.160 177 K HA -0.112 4.208 4.320 0.001 0.000 0.206 177 K C 1.984 178.625 176.600 0.068 0.000 1.047 177 K CA 1.346 57.670 56.287 0.062 0.000 0.930 177 K CB -0.496 32.042 32.500 0.063 0.000 0.720 177 K HN 0.421 nan 8.250 nan 0.000 0.450 178 I N 1.352 121.961 120.570 0.064 0.000 2.202 178 I HA -0.299 3.872 4.170 0.001 0.000 0.242 178 I C 2.504 178.627 176.117 0.011 0.000 1.091 178 I CA 0.875 62.202 61.300 0.045 0.000 1.368 178 I CB -0.542 37.415 38.000 -0.072 0.000 1.058 178 I HN 0.291 nan 8.210 nan 0.000 0.410 179 N N 1.759 120.457 118.700 -0.002 0.000 2.007 179 N HA -0.262 4.479 4.740 0.001 0.000 0.197 179 N C 1.687 177.142 175.510 -0.091 0.000 1.050 179 N CA 2.049 55.084 53.050 -0.023 0.000 0.856 179 N CB -0.206 38.298 38.487 0.029 0.000 1.050 179 N HN 0.383 nan 8.380 nan 0.000 0.423 180 E N -0.457 119.718 120.200 -0.042 0.000 2.233 180 E HA -0.166 4.185 4.350 0.001 0.000 0.199 180 E C 1.850 178.353 176.600 -0.161 0.000 1.004 180 E CA 0.915 57.261 56.400 -0.090 0.000 0.819 180 E CB -0.350 29.360 29.700 0.017 0.000 0.738 180 E HN 0.563 nan 8.360 nan 0.000 0.478 181 G N 1.615 110.376 108.800 -0.066 0.000 2.414 181 G HA2 -0.217 3.744 3.960 0.001 0.000 0.215 181 G HA3 -0.217 3.744 3.960 0.001 0.000 0.215 181 G C 1.523 176.378 174.900 -0.075 0.000 1.188 181 G CA 0.488 45.564 45.100 -0.039 0.000 0.783 181 G HN 0.070 nan 8.290 nan 0.000 0.537 182 I N 1.919 122.441 120.570 -0.079 0.000 2.163 182 I HA -0.099 4.072 4.170 0.001 0.000 0.243 182 I C 3.004 178.826 176.117 -0.492 0.000 1.085 182 I CA 1.525 62.752 61.300 -0.121 0.000 1.347 182 I CB -1.692 36.269 38.000 -0.064 0.000 1.044 182 I HN 0.232 nan 8.210 nan 0.000 0.408 183 G N 0.725 108.916 108.800 -1.015 0.000 2.434 183 G HA2 -0.204 3.756 3.960 0.001 0.000 0.214 183 G HA3 -0.204 3.756 3.960 0.001 0.000 0.214 183 G C 1.351 175.413 174.900 -1.397 0.000 1.202 183 G CA 0.629 44.470 45.100 -2.099 0.000 0.788 183 G HN 0.307 nan 8.290 nan 0.000 0.539 184 D N 0.446 120.237 120.400 -1.015 0.000 2.149 184 D HA -0.148 4.493 4.640 0.001 0.000 0.194 184 D C 2.222 178.449 176.300 -0.120 0.000 1.001 184 D CA 1.110 54.921 54.000 -0.314 0.000 0.849 184 D CB -0.135 40.597 40.800 -0.114 0.000 0.939 184 D HN 0.349 nan 8.370 nan 0.000 0.449 185 K N 1.106 121.445 120.400 -0.101 0.000 2.034 185 K HA -0.204 4.117 4.320 0.001 0.000 0.214 185 K C 2.542 179.171 176.600 0.048 0.000 1.051 185 K CA 1.586 57.916 56.287 0.072 0.000 0.931 185 K CB -0.420 32.254 32.500 0.291 0.000 0.715 185 K HN 0.298 nan 8.250 nan 0.000 0.446 186 I N -1.159 119.317 120.570 -0.158 0.000 2.113 186 I HA -0.211 3.960 4.170 0.001 0.000 0.242 186 I C 2.173 178.418 176.117 0.214 0.000 1.064 186 I CA 2.311 63.542 61.300 -0.116 0.000 1.320 186 I CB -1.258 36.400 38.000 -0.571 0.000 1.028 186 I HN 0.196 nan 8.210 nan 0.000 0.406 187 G N 1.150 110.089 108.800 0.232 0.000 2.475 187 G HA2 -0.298 3.663 3.960 0.001 0.000 0.220 187 G HA3 -0.298 3.663 3.960 0.001 0.000 0.220 187 G C 1.662 176.803 174.900 0.402 0.000 1.125 187 G CA 1.171 46.518 45.100 0.413 0.000 0.755 187 G HN 0.510 nan 8.290 nan 0.000 0.565 188 M N -0.312 119.427 119.600 0.231 0.000 2.077 188 M HA 0.047 4.528 4.480 0.001 0.000 0.261 188 M C 2.297 178.701 176.300 0.174 0.000 1.070 188 M CA 1.220 56.598 55.300 0.129 0.000 1.125 188 M CB -0.907 31.693 32.600 -0.001 0.000 1.339 188 M HN 0.179 nan 8.290 nan 0.000 0.409 189 F N 1.177 121.192 119.950 0.108 0.000 2.085 189 F HA -0.313 4.215 4.527 0.001 0.000 0.299 189 F C 2.133 178.062 175.800 0.214 0.000 1.096 189 F CA 1.942 60.020 58.000 0.129 0.000 1.227 189 F CB -1.157 37.951 39.000 0.179 0.000 0.983 189 F HN 0.282 nan 8.300 nan 0.000 0.482 190 F N 1.462 121.635 119.950 0.372 0.000 2.014 190 F HA -0.314 4.213 4.527 0.001 0.000 0.299 190 F C 2.511 178.448 175.800 0.229 0.000 1.224 190 F CA 2.275 60.450 58.000 0.292 0.000 1.200 190 F CB -1.310 37.866 39.000 0.293 0.000 0.948 190 F HN 0.008 nan 8.300 nan 0.000 0.520 191 Q N 0.541 120.030 119.800 -0.520 0.000 2.389 191 Q HA -0.213 4.128 4.340 0.001 0.000 0.213 191 Q C 2.264 178.146 176.000 -0.197 0.000 0.989 191 Q CA 1.443 56.896 55.803 -0.583 0.000 0.891 191 Q CB -1.006 27.541 28.738 -0.319 0.000 0.923 191 Q HN 0.649 nan 8.270 nan 0.000 0.455 192 A N 0.349 123.142 122.820 -0.045 0.000 1.929 192 A HA -0.099 4.222 4.320 0.001 0.000 0.216 192 A C 2.003 179.642 177.584 0.091 0.000 1.176 192 A CA 1.006 53.033 52.037 -0.016 0.000 0.628 192 A CB -0.112 18.852 19.000 -0.061 0.000 0.816 192 A HN 0.191 nan 8.150 nan 0.000 0.444 193 M N -0.628 119.099 119.600 0.211 0.000 2.447 193 M HA 0.128 4.609 4.480 0.001 0.000 0.264 193 M C 2.362 178.849 176.300 0.312 0.000 1.095 193 M CA 1.065 56.583 55.300 0.364 0.000 1.125 193 M CB -1.372 31.540 32.600 0.520 0.000 1.389 193 M HN 0.457 nan 8.290 nan 0.000 0.459 194 A N 0.242 123.122 122.820 0.100 0.000 1.858 194 A HA -0.160 4.161 4.320 0.001 0.000 0.216 194 A C 2.416 180.045 177.584 0.076 0.000 1.190 194 A CA 2.525 54.577 52.037 0.024 0.000 0.617 194 A CB -1.124 17.723 19.000 -0.256 0.000 0.827 194 A HN 0.450 nan 8.150 nan 0.000 0.443 195 T N -1.862 112.719 114.554 0.046 0.000 2.639 195 T HA -0.138 4.213 4.350 0.001 0.000 0.261 195 T C 1.662 176.471 174.700 0.182 0.000 1.053 195 T CA 1.528 63.676 62.100 0.080 0.000 1.158 195 T CB -0.463 68.427 68.868 0.037 0.000 0.863 195 T HN 0.400 nan 8.240 nan 0.000 0.413 196 F N 0.081 120.003 119.950 -0.046 0.000 2.008 196 F HA -0.207 4.321 4.527 0.001 0.000 0.297 196 F C 2.102 177.876 175.800 -0.043 0.000 1.156 196 F CA 1.934 59.856 58.000 -0.129 0.000 1.191 196 F CB -0.339 38.483 39.000 -0.296 0.000 0.955 196 F HN 0.208 nan 8.300 nan 0.000 0.497 197 F N 0.833 120.819 119.950 0.060 0.000 2.065 197 F HA -0.161 4.367 4.527 0.001 0.000 0.298 197 F C 2.545 178.419 175.800 0.123 0.000 1.112 197 F CA 1.480 59.492 58.000 0.020 0.000 1.212 197 F CB -1.527 37.499 39.000 0.044 0.000 0.975 197 F HN 0.087 nan 8.300 nan 0.000 0.476 198 G N -0.369 108.608 108.800 0.295 0.000 2.701 198 G HA2 -0.232 3.728 3.960 0.001 0.000 0.215 198 G HA3 -0.232 3.728 3.960 0.001 0.000 0.215 198 G C 2.075 177.073 174.900 0.163 0.000 1.297 198 G CA 0.982 46.192 45.100 0.184 0.000 0.807 198 G HN 0.553 nan 8.290 nan 0.000 0.608 199 G N -0.015 108.872 108.800 0.145 0.000 2.581 199 G HA2 -0.259 3.701 3.960 0.001 0.000 0.223 199 G HA3 -0.259 3.701 3.960 0.001 0.000 0.223 199 G C 1.460 176.462 174.900 0.170 0.000 1.094 199 G CA 1.273 46.450 45.100 0.129 0.000 0.736 199 G HN 0.352 nan 8.290 nan 0.000 0.588 200 F N 0.709 120.675 119.950 0.026 0.000 2.090 200 F HA 0.199 4.727 4.527 0.001 0.000 0.281 200 F C 2.441 178.285 175.800 0.074 0.000 1.157 200 F CA 0.252 58.249 58.000 -0.005 0.000 1.130 200 F CB -0.801 38.104 39.000 -0.157 0.000 1.034 200 F HN 0.038 nan 8.300 nan 0.000 0.491 201 I N 1.229 121.857 120.570 0.097 0.000 2.419 201 I HA -0.406 3.765 4.170 0.001 0.000 0.229 201 I C 2.335 178.401 176.117 -0.086 0.000 0.948 201 I CA 2.739 64.032 61.300 -0.011 0.000 1.247 201 I CB -1.307 36.766 38.000 0.122 0.000 0.956 201 I HN 0.473 nan 8.210 nan 0.000 0.388 202 I N -1.319 119.239 120.570 -0.020 0.000 2.233 202 I HA 0.029 4.199 4.170 0.001 0.000 0.243 202 I C 2.229 178.291 176.117 -0.092 0.000 1.093 202 I CA 1.708 62.978 61.300 -0.050 0.000 1.380 202 I CB -1.857 36.147 38.000 0.006 0.000 1.067 202 I HN 0.166 nan 8.210 nan 0.000 0.413 203 G N -1.238 107.534 108.800 -0.046 0.000 2.959 203 G HA2 -0.050 3.910 3.960 0.001 0.000 0.203 203 G HA3 -0.050 3.910 3.960 0.001 0.000 0.203 203 G C 0.904 175.805 174.900 0.002 0.000 1.176 203 G CA 0.793 45.867 45.100 -0.043 0.000 0.860 203 G HN 0.504 nan 8.290 nan 0.000 0.507 204 F N -1.692 118.083 119.950 -0.292 0.000 2.440 204 F HA 0.132 4.660 4.527 0.001 0.000 0.341 204 F C 2.089 177.689 175.800 -0.333 0.000 0.812 204 F CA 0.897 58.709 58.000 -0.313 0.000 1.031 204 F CB -0.083 38.630 39.000 -0.479 0.000 0.993 204 F HN -0.012 nan 8.300 nan 0.000 0.667 205 T N 0.978 115.264 114.554 -0.447 0.000 2.857 205 T HA 0.012 4.363 4.350 0.001 0.000 0.266 205 T C 0.694 174.992 174.700 -0.671 0.000 1.048 205 T CA 0.964 62.736 62.100 -0.547 0.000 1.139 205 T CB -0.216 68.467 68.868 -0.309 0.000 0.874 205 T HN -0.195 nan 8.240 nan 0.000 0.455 206 R N 0.596 120.810 120.500 -0.476 0.000 2.233 206 R HA 0.559 4.900 4.340 0.001 0.000 0.334 206 R C 0.754 176.758 176.300 -0.494 0.000 1.037 206 R CA 0.073 55.885 56.100 -0.479 0.000 0.920 206 R CB 0.571 30.745 30.300 -0.210 0.000 1.137 206 R HN 0.344 nan 8.270 nan 0.000 0.492 207 G N 0.633 108.989 108.800 -0.739 0.000 3.709 207 G HA2 -0.160 3.801 3.960 0.001 0.000 0.196 207 G HA3 -0.160 3.801 3.960 0.001 0.000 0.196 207 G C 0.125 174.791 174.900 -0.390 0.000 1.177 207 G CA 0.062 44.796 45.100 -0.610 0.000 0.906 207 G HN 0.420 nan 8.290 nan 0.000 0.416 208 W N -0.084 120.988 121.300 -0.380 0.000 1.285 208 W HA -0.232 4.428 4.660 0.001 0.000 0.227 208 W C 1.684 178.071 176.519 -0.221 0.000 0.942 208 W CA 2.455 59.590 57.345 -0.350 0.000 0.383 208 W CB -1.285 28.003 29.460 -0.286 0.000 1.941 208 W HN 0.585 nan 8.180 nan 0.000 1.391 209 K N -1.801 118.601 120.400 0.003 0.000 2.473 209 K HA 0.175 4.496 4.320 0.001 0.000 0.183 209 K C 1.159 177.732 176.600 -0.046 0.000 1.854 209 K CA 0.643 56.933 56.287 0.004 0.000 1.084 209 K CB -0.920 31.595 32.500 0.024 0.000 1.684 209 K HN -0.037 nan 8.250 nan 0.000 0.565 210 L N 0.933 122.085 121.223 -0.119 0.000 2.095 210 L HA 0.036 4.376 4.340 0.001 0.000 0.204 210 L C 1.568 178.306 176.870 -0.220 0.000 1.080 210 L CA 2.412 57.174 54.840 -0.130 0.000 0.759 210 L CB -0.778 41.131 42.059 -0.250 0.000 0.914 210 L HN 0.273 nan 8.230 nan 0.000 0.439 211 T N 0.033 114.425 114.554 -0.270 0.000 2.915 211 T HA -0.157 4.194 4.350 0.001 0.000 0.269 211 T C 1.883 176.461 174.700 -0.205 0.000 1.071 211 T CA 1.360 63.283 62.100 -0.295 0.000 1.132 211 T CB -0.074 68.639 68.868 -0.258 0.000 0.878 211 T HN 0.294 nan 8.240 nan 0.000 0.479 212 L N 0.714 121.871 121.223 -0.111 0.000 2.131 212 L HA 0.174 4.515 4.340 0.001 0.000 0.206 212 L C 2.410 179.254 176.870 -0.043 0.000 1.087 212 L CA 1.298 56.122 54.840 -0.027 0.000 0.767 212 L CB -0.531 41.546 42.059 0.030 0.000 0.917 212 L HN 0.093 nan 8.230 nan 0.000 0.441 213 V N 0.017 119.895 119.914 -0.060 0.000 2.343 213 V HA -0.304 3.817 4.120 0.001 0.000 0.247 213 V C 2.490 178.552 176.094 -0.054 0.000 1.051 213 V CA 2.043 64.339 62.300 -0.007 0.000 1.036 213 V CB -0.542 31.314 31.823 0.056 0.000 0.654 213 V HN 0.386 nan 8.190 nan 0.000 0.451 214 I N -0.107 120.284 120.570 -0.298 0.000 2.069 214 I HA -0.328 3.843 4.170 0.001 0.000 0.237 214 I C 2.454 178.493 176.117 -0.130 0.000 1.053 214 I CA 1.966 62.975 61.300 -0.484 0.000 1.311 214 I CB -0.645 36.836 38.000 -0.865 0.000 1.030 214 I HN 0.245 nan 8.210 nan 0.000 0.398 215 L N 0.610 121.771 121.223 -0.102 0.000 2.034 215 L HA -0.311 4.030 4.340 0.001 0.000 0.217 215 L C 2.834 179.722 176.870 0.029 0.000 1.077 215 L CA 1.639 56.475 54.840 -0.008 0.000 0.769 215 L CB -1.078 40.990 42.059 0.014 0.000 0.890 215 L HN 0.361 nan 8.230 nan 0.000 0.435 216 A N 1.338 124.175 122.820 0.028 0.000 1.830 216 A HA -0.232 4.088 4.320 0.001 0.000 0.214 216 A C 2.191 179.824 177.584 0.081 0.000 1.218 216 A CA 2.040 54.110 52.037 0.054 0.000 0.628 216 A CB -0.979 18.054 19.000 0.055 0.000 0.860 216 A HN 0.486 nan 8.150 nan 0.000 0.454 217 I N -1.892 118.745 120.570 0.111 0.000 2.118 217 I HA -0.250 3.921 4.170 0.001 0.000 0.241 217 I C 2.316 178.539 176.117 0.177 0.000 1.070 217 I CA 2.335 63.729 61.300 0.157 0.000 1.327 217 I CB -1.023 37.110 38.000 0.222 0.000 1.034 217 I HN 0.243 nan 8.210 nan 0.000 0.405 218 S N 2.004 117.829 115.700 0.208 0.000 2.380 218 S HA -0.068 4.403 4.470 0.001 0.000 0.217 218 S C -0.004 174.681 174.600 0.141 0.000 1.036 218 S CA 1.819 60.156 58.200 0.229 0.000 1.050 218 S CB -1.556 61.797 63.200 0.254 0.000 1.016 218 S HN 0.331 nan 8.310 nan 0.000 0.419 219 P HA -0.094 nan 4.420 nan 0.000 0.216 219 P C 1.642 178.990 177.300 0.080 0.000 1.157 219 P CA 0.940 64.089 63.100 0.082 0.000 0.880 219 P CB -0.201 31.539 31.700 0.066 0.000 0.791 220 V N -0.656 119.305 119.914 0.079 0.000 2.282 220 V HA -0.268 3.853 4.120 0.001 0.000 0.249 220 V C 2.452 178.591 176.094 0.074 0.000 1.057 220 V CA 1.832 64.174 62.300 0.070 0.000 1.032 220 V CB -1.327 30.537 31.823 0.068 0.000 0.645 220 V HN 0.101 nan 8.190 nan 0.000 0.447 221 L N 0.179 121.456 121.223 0.091 0.000 2.083 221 L HA -0.089 4.252 4.340 0.001 0.000 0.209 221 L C 2.678 179.610 176.870 0.103 0.000 1.083 221 L CA 1.682 56.577 54.840 0.091 0.000 0.752 221 L CB -1.247 40.880 42.059 0.112 0.000 0.899 221 L HN 0.488 nan 8.230 nan 0.000 0.433 222 G N 0.300 109.165 108.800 0.109 0.000 2.442 222 G HA2 -0.201 3.760 3.960 0.001 0.000 0.219 222 G HA3 -0.201 3.760 3.960 0.001 0.000 0.219 222 G C 1.572 176.538 174.900 0.111 0.000 1.141 222 G CA 0.579 45.750 45.100 0.118 0.000 0.763 222 G HN 0.171 nan 8.290 nan 0.000 0.554 223 L N 1.240 122.514 121.223 0.084 0.000 1.921 223 L HA -0.166 4.175 4.340 0.001 0.000 0.219 223 L C 3.357 180.270 176.870 0.072 0.000 1.081 223 L CA 1.906 56.787 54.840 0.069 0.000 0.771 223 L CB -1.120 40.972 42.059 0.054 0.000 0.888 223 L HN 0.446 nan 8.230 nan 0.000 0.433 224 S N 0.349 116.085 115.700 0.061 0.000 2.409 224 S HA -0.343 4.128 4.470 0.001 0.000 0.237 224 S C 1.995 176.630 174.600 0.058 0.000 1.060 224 S CA 1.445 59.677 58.200 0.052 0.000 1.052 224 S CB -0.914 62.297 63.200 0.019 0.000 0.871 224 S HN 0.464 nan 8.310 nan 0.000 0.465 225 A N 2.407 125.273 122.820 0.076 0.000 1.824 225 A HA 0.238 4.558 4.320 0.001 0.000 0.215 225 A C 2.604 180.203 177.584 0.025 0.000 1.209 225 A CA 1.720 53.809 52.037 0.087 0.000 0.614 225 A CB -1.927 17.218 19.000 0.241 0.000 0.852 225 A HN 0.792 nan 8.150 nan 0.000 0.447 226 G N -0.040 108.848 108.800 0.146 0.000 2.505 226 G HA2 -0.248 3.713 3.960 0.001 0.000 0.220 226 G HA3 -0.248 3.713 3.960 0.001 0.000 0.220 226 G C 1.392 176.305 174.900 0.021 0.000 1.145 226 G CA 1.354 46.530 45.100 0.127 0.000 0.761 226 G HN 0.357 nan 8.290 nan 0.000 0.571 227 I N -0.660 119.932 120.570 0.035 0.000 2.034 227 I HA -0.120 4.051 4.170 0.001 0.000 0.228 227 I C 2.399 178.522 176.117 0.011 0.000 1.041 227 I CA 0.997 62.315 61.300 0.030 0.000 1.321 227 I CB -1.441 36.599 38.000 0.067 0.000 1.062 227 I HN 0.317 nan 8.210 nan 0.000 0.389 228 W N 1.300 122.511 121.300 -0.147 0.000 2.290 228 W HA -0.314 4.347 4.660 0.001 0.000 0.318 228 W C 2.791 179.159 176.519 -0.252 0.000 1.248 228 W CA 3.234 60.470 57.345 -0.182 0.000 1.263 228 W CB -0.593 28.754 29.460 -0.188 0.000 1.147 228 W HN 0.313 nan 8.180 nan 0.000 0.494 229 A N -0.205 122.494 122.820 -0.202 0.000 1.865 229 A HA -0.249 4.071 4.320 0.001 0.000 0.217 229 A C 2.067 179.487 177.584 -0.274 0.000 1.191 229 A CA 2.146 53.893 52.037 -0.483 0.000 0.623 229 A CB -0.773 17.365 19.000 -1.438 0.000 0.826 229 A HN 0.151 nan 8.150 nan 0.000 0.444 230 K N -0.314 119.984 120.400 -0.170 0.000 2.097 230 K HA -0.011 4.310 4.320 0.001 0.000 0.206 230 K C 1.859 178.400 176.600 -0.099 0.000 1.049 230 K CA 1.095 57.339 56.287 -0.072 0.000 0.933 230 K CB -0.568 31.919 32.500 -0.022 0.000 0.717 230 K HN 0.638 nan 8.250 nan 0.000 0.442 231 I N 0.852 121.319 120.570 -0.171 0.000 2.179 231 I HA -0.268 3.902 4.170 0.001 0.000 0.242 231 I C 1.890 177.879 176.117 -0.214 0.000 1.088 231 I CA 0.952 62.126 61.300 -0.210 0.000 1.357 231 I CB -0.148 37.650 38.000 -0.337 0.000 1.051 231 I HN 0.053 nan 8.210 nan 0.000 0.409 232 L N -0.169 120.867 121.223 -0.312 0.000 2.418 232 L HA -0.021 4.320 4.340 0.001 0.000 0.218 232 L C 2.520 179.385 176.870 -0.008 0.000 1.125 232 L CA 1.168 55.884 54.840 -0.206 0.000 0.835 232 L CB -1.089 40.752 42.059 -0.363 0.000 0.953 232 L HN 0.185 nan 8.230 nan 0.000 0.454 233 S N 0.276 115.960 115.700 -0.028 0.000 2.368 233 S HA -0.127 4.344 4.470 0.001 0.000 0.224 233 S C 2.130 176.758 174.600 0.047 0.000 1.029 233 S CA 1.444 59.663 58.200 0.031 0.000 0.988 233 S CB -0.017 63.205 63.200 0.037 0.000 0.838 233 S HN 0.626 nan 8.310 nan 0.000 0.462 234 S N 1.075 116.793 115.700 0.031 0.000 2.428 234 S HA -0.000 4.470 4.470 0.001 0.000 0.230 234 S C 1.590 176.222 174.600 0.053 0.000 1.014 234 S CA 0.438 58.656 58.200 0.029 0.000 0.957 234 S CB -0.680 62.524 63.200 0.007 0.000 0.784 234 S HN 0.398 nan 8.310 nan 0.000 0.499 235 F N 3.208 123.106 119.950 -0.086 0.000 2.269 235 F HA -0.008 4.519 4.527 0.001 0.000 0.301 235 F C 2.343 178.120 175.800 -0.038 0.000 1.082 235 F CA 1.353 59.304 58.000 -0.081 0.000 1.360 235 F CB -0.869 38.060 39.000 -0.118 0.000 1.041 235 F HN 0.188 nan 8.300 nan 0.000 0.512 236 T N -0.300 114.283 114.554 0.048 0.000 2.857 236 T HA -0.141 4.210 4.350 0.001 0.000 0.266 236 T C 1.421 176.126 174.700 0.008 0.000 1.048 236 T CA 1.427 63.534 62.100 0.012 0.000 1.139 236 T CB -0.276 68.629 68.868 0.062 0.000 0.874 236 T HN 0.175 nan 8.240 nan 0.000 0.455 237 D N 1.285 121.703 120.400 0.030 0.000 2.088 237 D HA -0.101 4.540 4.640 0.001 0.000 0.191 237 D C 2.199 178.560 176.300 0.101 0.000 0.992 237 D CA 0.951 55.013 54.000 0.102 0.000 0.831 237 D CB -0.298 40.540 40.800 0.063 0.000 0.973 237 D HN 0.082 nan 8.370 nan 0.000 0.447 238 K N 0.835 121.161 120.400 -0.123 0.000 2.059 238 K HA -0.202 4.118 4.320 0.001 0.000 0.212 238 K C 1.742 178.267 176.600 -0.125 0.000 1.050 238 K CA 1.307 57.465 56.287 -0.214 0.000 0.927 238 K CB -0.180 32.142 32.500 -0.297 0.000 0.714 238 K HN 0.133 nan 8.250 nan 0.000 0.447 239 E N 0.648 120.730 120.200 -0.196 0.000 2.110 239 E HA -0.148 4.202 4.350 0.001 0.000 0.193 239 E C 2.214 178.834 176.600 0.033 0.000 0.988 239 E CA 0.804 57.120 56.400 -0.139 0.000 0.804 239 E CB -0.221 29.368 29.700 -0.184 0.000 0.745 239 E HN 0.380 nan 8.360 nan 0.000 0.458 240 L N 0.036 121.326 121.223 0.111 0.000 2.217 240 L HA -0.142 4.198 4.340 0.001 0.000 0.211 240 L C 2.207 179.164 176.870 0.146 0.000 1.107 240 L CA 0.867 55.816 54.840 0.182 0.000 0.783 240 L CB -0.364 41.776 42.059 0.136 0.000 0.919 240 L HN 0.126 nan 8.230 nan 0.000 0.442 241 H N -0.444 118.632 119.070 0.011 0.000 2.403 241 H HA 0.035 4.591 4.556 0.001 0.000 0.298 241 H C 2.287 177.619 175.328 0.007 0.000 1.059 241 H CA 1.047 57.089 56.048 -0.010 0.000 1.363 241 H CB -0.137 29.607 29.762 -0.030 0.000 1.410 241 H HN 0.257 nan 8.280 nan 0.000 0.528 242 A N 0.254 123.158 122.820 0.139 0.000 2.019 242 A HA -0.213 4.108 4.320 0.001 0.000 0.219 242 A C 2.111 179.778 177.584 0.137 0.000 1.164 242 A CA 1.340 53.426 52.037 0.081 0.000 0.644 242 A CB -0.977 18.035 19.000 0.021 0.000 0.805 242 A HN 0.659 nan 8.150 nan 0.000 0.449 243 Y N 0.029 120.324 120.300 -0.008 0.000 2.130 243 Y HA -0.062 4.489 4.550 0.001 0.000 0.287 243 Y C 2.721 178.610 175.900 -0.018 0.000 1.124 243 Y CA 0.956 59.048 58.100 -0.013 0.000 1.118 243 Y CB -0.296 38.155 38.460 -0.016 0.000 0.994 243 Y HN 0.352 nan 8.280 nan 0.000 0.497 244 A N 0.528 123.286 122.820 -0.104 0.000 1.997 244 A HA -0.319 4.002 4.320 0.001 0.000 0.221 244 A C 2.008 179.540 177.584 -0.087 0.000 1.172 244 A CA 2.264 54.167 52.037 -0.224 0.000 0.645 244 A CB -0.747 18.127 19.000 -0.210 0.000 0.813 244 A HN 0.520 nan 8.150 nan 0.000 0.454 245 K N -0.290 120.105 120.400 -0.009 0.000 1.984 245 K HA 0.076 4.396 4.320 0.001 0.000 0.209 245 K C 2.144 178.757 176.600 0.022 0.000 1.046 245 K CA 1.495 57.784 56.287 0.004 0.000 0.934 245 K CB -0.593 31.917 32.500 0.017 0.000 0.717 245 K HN 0.313 nan 8.250 nan 0.000 0.438 246 A N 0.304 123.168 122.820 0.073 0.000 1.986 246 A HA -0.134 4.187 4.320 0.001 0.000 0.220 246 A C 2.317 179.965 177.584 0.106 0.000 1.171 246 A CA 2.195 54.290 52.037 0.097 0.000 0.640 246 A CB -1.496 17.597 19.000 0.156 0.000 0.811 246 A HN 0.529 nan 8.150 nan 0.000 0.451 247 G N -0.527 108.325 108.800 0.086 0.000 2.511 247 G HA2 -0.035 3.926 3.960 0.001 0.000 0.216 247 G HA3 -0.035 3.926 3.960 0.001 0.000 0.216 247 G C 1.823 176.730 174.900 0.013 0.000 1.218 247 G CA 1.667 46.779 45.100 0.021 0.000 0.788 247 G HN 0.895 nan 8.290 nan 0.000 0.560 248 A N -0.046 122.765 122.820 -0.015 0.000 1.940 248 A HA 0.027 4.348 4.320 0.001 0.000 0.219 248 A C 2.416 180.021 177.584 0.036 0.000 1.176 248 A CA 1.915 53.951 52.037 -0.001 0.000 0.631 248 A CB -0.622 18.368 19.000 -0.017 0.000 0.814 248 A HN 0.381 nan 8.150 nan 0.000 0.446 249 V N -0.917 119.014 119.914 0.029 0.000 3.444 249 V HA 0.027 4.148 4.120 0.001 0.000 0.271 249 V C 2.038 178.202 176.094 0.116 0.000 1.188 249 V CA 1.322 63.639 62.300 0.029 0.000 1.168 249 V CB -0.795 30.995 31.823 -0.056 0.000 0.810 249 V HN 0.601 nan 8.190 nan 0.000 0.500 250 A N -1.501 121.390 122.820 0.118 0.000 2.470 250 A HA 0.296 4.616 4.320 0.001 0.000 0.251 250 A C 1.806 179.469 177.584 0.131 0.000 1.245 250 A CA -0.070 52.058 52.037 0.152 0.000 0.932 250 A CB 0.207 19.288 19.000 0.136 0.000 1.037 250 A HN 0.347 nan 8.150 nan 0.000 0.522 251 E N 0.042 120.309 120.200 0.110 0.000 2.182 251 E HA 0.233 4.584 4.350 0.001 0.000 0.195 251 E C -0.010 176.659 176.600 0.114 0.000 0.933 251 E CA 0.615 57.059 56.400 0.072 0.000 0.940 251 E CB -0.099 29.618 29.700 0.028 0.000 0.945 251 E HN 0.455 nan 8.360 nan 0.000 0.477 252 E N -0.465 119.824 120.200 0.149 0.000 8.774 252 E HA -0.186 4.164 4.350 0.001 0.000 0.169 252 E C -0.682 176.027 176.600 0.182 0.000 1.453 252 E CA 0.665 57.196 56.400 0.218 0.000 2.527 252 E CB -0.524 29.352 29.700 0.295 0.000 1.274 252 E HN 0.008 nan 8.360 nan 0.000 0.438 253 V N 1.496 121.588 119.914 0.297 0.000 2.607 253 V HA 0.230 4.351 4.120 0.001 0.000 0.289 253 V C 0.718 176.891 176.094 0.132 0.000 1.053 253 V CA -0.244 62.198 62.300 0.237 0.000 0.996 253 V CB 0.846 32.922 31.823 0.422 0.000 0.995 253 V HN 0.463 nan 8.190 nan 0.000 0.476 254 L N 2.845 124.085 121.223 0.029 0.000 3.386 254 L HA 0.440 4.780 4.340 0.001 0.000 0.307 254 L C 0.886 177.691 176.870 -0.107 0.000 1.235 254 L CA 0.342 55.154 54.840 -0.047 0.000 1.056 254 L CB -0.894 41.074 42.059 -0.153 0.000 1.453 254 L HN 0.712 nan 8.230 nan 0.000 0.615 255 A N 0.515 123.296 122.820 -0.066 0.000 3.054 255 A HA 0.676 4.996 4.320 0.001 0.000 0.207 255 A C 1.489 179.021 177.584 -0.087 0.000 1.942 255 A CA 0.656 52.640 52.037 -0.087 0.000 0.878 255 A CB -0.495 18.476 19.000 -0.047 0.000 1.860 255 A HN 0.579 nan 8.150 nan 0.000 0.706 256 A N -1.557 121.224 122.820 -0.065 0.000 2.750 256 A HA -0.218 4.103 4.320 0.001 0.000 0.298 256 A C 1.332 178.853 177.584 -0.104 0.000 1.500 256 A CA 1.143 53.143 52.037 -0.062 0.000 0.891 256 A CB -1.928 17.059 19.000 -0.022 0.000 0.972 256 A HN 1.529 nan 8.150 nan 0.000 0.531 257 I N -0.370 120.103 120.570 -0.162 0.000 2.087 257 I HA -0.306 3.865 4.170 0.001 0.000 0.240 257 I C 2.150 178.167 176.117 -0.167 0.000 1.054 257 I CA 2.756 63.905 61.300 -0.251 0.000 1.311 257 I CB -0.879 36.844 38.000 -0.460 0.000 1.024 257 I HN 0.737 nan 8.210 nan 0.000 0.402 258 R N -0.114 120.302 120.500 -0.140 0.000 2.148 258 R HA -0.237 4.103 4.340 0.001 0.000 0.230 258 R C 2.206 178.457 176.300 -0.081 0.000 1.120 258 R CA 3.313 59.318 56.100 -0.159 0.000 0.902 258 R CB -0.791 29.411 30.300 -0.163 0.000 0.839 258 R HN 0.427 nan 8.270 nan 0.000 0.431 259 T N 0.502 115.018 114.554 -0.064 0.000 2.751 259 T HA -0.183 4.167 4.350 0.001 0.000 0.268 259 T C 1.807 176.492 174.700 -0.025 0.000 1.045 259 T CA 1.613 63.680 62.100 -0.055 0.000 1.142 259 T CB -0.282 68.521 68.868 -0.108 0.000 0.851 259 T HN 0.093 nan 8.240 nan 0.000 0.474 260 V N 1.279 121.178 119.914 -0.026 0.000 2.295 260 V HA -0.129 3.991 4.120 0.001 0.000 0.246 260 V C 2.471 178.637 176.094 0.119 0.000 1.049 260 V CA 1.197 63.531 62.300 0.056 0.000 1.024 260 V CB -0.511 31.303 31.823 -0.015 0.000 0.648 260 V HN 0.438 nan 8.190 nan 0.000 0.447 261 I N 0.747 121.360 120.570 0.071 0.000 2.286 261 I HA -0.187 3.984 4.170 0.001 0.000 0.248 261 I C 2.507 178.733 176.117 0.181 0.000 1.115 261 I CA 1.939 63.317 61.300 0.129 0.000 1.392 261 I CB -1.414 36.683 38.000 0.161 0.000 1.065 261 I HN 0.335 nan 8.210 nan 0.000 0.418 262 A N -0.581 122.364 122.820 0.208 0.000 2.239 262 A HA -0.168 4.153 4.320 0.001 0.000 0.209 262 A C 1.971 179.651 177.584 0.160 0.000 1.171 262 A CA 0.682 52.834 52.037 0.192 0.000 0.768 262 A CB -0.623 18.494 19.000 0.195 0.000 0.790 262 A HN 0.397 nan 8.150 nan 0.000 0.478 263 F N -1.020 118.909 119.950 -0.035 0.000 2.390 263 F HA 0.439 4.966 4.527 0.001 0.000 0.281 263 F C 1.563 177.350 175.800 -0.022 0.000 1.016 263 F CA 1.312 59.272 58.000 -0.067 0.000 1.286 263 F CB 0.016 38.950 39.000 -0.111 0.000 1.134 263 F HN 0.283 nan 8.300 nan 0.000 0.597 264 G N -0.836 107.844 108.800 -0.200 0.000 2.313 264 G HA2 0.333 4.294 3.960 0.001 0.000 0.098 264 G HA3 0.333 4.294 3.960 0.001 0.000 0.098 264 G C 0.044 174.823 174.900 -0.201 0.000 1.736 264 G CA 0.100 45.025 45.100 -0.292 0.000 1.073 264 G HN 1.031 nan 8.290 nan 0.000 0.293 265 G N -0.420 108.205 108.800 -0.291 0.000 2.139 265 G HA2 0.502 4.463 3.960 0.001 0.000 0.315 265 G HA3 0.502 4.463 3.960 0.001 0.000 0.315 265 G C 0.212 175.003 174.900 -0.181 0.000 1.599 265 G CA 0.534 45.534 45.100 -0.167 0.000 0.960 265 G HN 0.361 nan 8.290 nan 0.000 0.615 266 Q N 1.792 121.507 119.800 -0.140 0.000 1.895 266 Q HA -0.142 4.199 4.340 0.001 0.000 0.217 266 Q C 1.904 177.779 176.000 -0.209 0.000 1.003 266 Q CA 2.071 57.780 55.803 -0.157 0.000 0.871 266 Q CB -0.329 28.279 28.738 -0.217 0.000 0.941 266 Q HN 0.930 nan 8.270 nan 0.000 0.421 267 K N -1.261 118.955 120.400 -0.308 0.000 3.528 267 K HA -0.281 4.040 4.320 0.001 0.000 0.287 267 K C 1.568 178.025 176.600 -0.237 0.000 0.947 267 K CA 1.834 57.952 56.287 -0.282 0.000 1.184 267 K CB -0.891 31.512 32.500 -0.162 0.000 1.474 267 K HN 0.033 nan 8.250 nan 0.000 0.435 268 K N 1.406 121.680 120.400 -0.209 0.000 2.159 268 K HA 0.074 4.395 4.320 0.001 0.000 0.210 268 K C 1.615 178.070 176.600 -0.241 0.000 1.026 268 K CA 1.383 57.554 56.287 -0.194 0.000 0.959 268 K CB -0.061 32.358 32.500 -0.135 0.000 0.890 268 K HN 0.282 nan 8.250 nan 0.000 0.459 269 E N 1.753 121.804 120.200 -0.248 0.000 2.110 269 E HA -0.283 4.067 4.350 0.001 0.000 0.225 269 E C 2.062 178.475 176.600 -0.312 0.000 1.063 269 E CA 2.684 58.878 56.400 -0.344 0.000 0.906 269 E CB -0.794 28.729 29.700 -0.295 0.000 0.795 269 E HN 0.329 nan 8.360 nan 0.000 0.479 270 L N 0.438 121.526 121.223 -0.225 0.000 1.987 270 L HA -0.293 4.048 4.340 0.001 0.000 0.230 270 L C 2.682 179.493 176.870 -0.097 0.000 1.089 270 L CA 2.010 56.803 54.840 -0.080 0.000 0.802 270 L CB -1.111 40.805 42.059 -0.239 0.000 0.905 270 L HN 0.081 nan 8.230 nan 0.000 0.441 271 E N 0.606 120.657 120.200 -0.248 0.000 2.070 271 E HA -0.295 4.056 4.350 0.001 0.000 0.197 271 E C 2.217 178.705 176.600 -0.187 0.000 1.004 271 E CA 2.003 58.206 56.400 -0.328 0.000 0.805 271 E CB -0.125 29.159 29.700 -0.694 0.000 0.744 271 E HN 0.400 nan 8.360 nan 0.000 0.451 272 R N 0.091 120.487 120.500 -0.172 0.000 2.171 272 R HA -0.190 4.151 4.340 0.001 0.000 0.226 272 R C 2.531 178.892 176.300 0.103 0.000 1.113 272 R CA 2.445 58.504 56.100 -0.068 0.000 0.887 272 R CB -1.525 28.698 30.300 -0.127 0.000 0.830 272 R HN 0.397 nan 8.270 nan 0.000 0.432 273 Y N 0.428 120.726 120.300 -0.003 0.000 2.241 273 Y HA -0.297 4.254 4.550 0.001 0.000 0.286 273 Y C 2.226 178.142 175.900 0.028 0.000 1.166 273 Y CA 0.944 59.058 58.100 0.022 0.000 1.203 273 Y CB -0.423 38.064 38.460 0.045 0.000 0.977 273 Y HN 0.402 nan 8.280 nan 0.000 0.529 274 N N 0.614 119.422 118.700 0.181 0.000 2.008 274 N HA -0.237 4.504 4.740 0.001 0.000 0.190 274 N C 1.287 176.852 175.510 0.093 0.000 1.098 274 N CA 1.332 54.457 53.050 0.124 0.000 0.894 274 N CB -0.390 38.144 38.487 0.077 0.000 1.056 274 N HN 0.206 nan 8.380 nan 0.000 0.432 275 N N 1.344 120.069 118.700 0.043 0.000 2.144 275 N HA -0.233 4.508 4.740 0.001 0.000 0.195 275 N C 1.283 176.823 175.510 0.050 0.000 1.006 275 N CA 0.839 53.913 53.050 0.039 0.000 0.880 275 N CB -0.565 37.925 38.487 0.006 0.000 1.018 275 N HN 0.305 nan 8.380 nan 0.000 0.443 276 N N 0.814 119.552 118.700 0.064 0.000 2.020 276 N HA -0.179 4.562 4.740 0.001 0.000 0.199 276 N C 1.424 176.965 175.510 0.053 0.000 1.059 276 N CA 1.427 54.517 53.050 0.067 0.000 0.877 276 N CB -0.419 38.134 38.487 0.110 0.000 1.078 276 N HN 0.110 nan 8.380 nan 0.000 0.452 277 L N 1.562 122.822 121.223 0.061 0.000 2.191 277 L HA -0.076 4.264 4.340 0.001 0.000 0.212 277 L C 2.296 179.198 176.870 0.054 0.000 1.103 277 L CA 1.249 56.120 54.840 0.051 0.000 0.769 277 L CB -1.369 40.725 42.059 0.059 0.000 0.908 277 L HN 0.364 nan 8.230 nan 0.000 0.438 278 E N 0.233 120.472 120.200 0.065 0.000 1.992 278 E HA -0.233 4.117 4.350 0.001 0.000 0.202 278 E C 1.879 178.478 176.600 -0.002 0.000 1.007 278 E CA 1.291 57.715 56.400 0.041 0.000 0.857 278 E CB -0.163 29.574 29.700 0.062 0.000 0.796 278 E HN 0.486 nan 8.360 nan 0.000 0.486 279 E N 0.706 120.915 120.200 0.015 0.000 2.136 279 E HA -0.321 4.029 4.350 0.001 0.000 0.208 279 E C 2.046 178.646 176.600 0.001 0.000 1.035 279 E CA 1.202 57.608 56.400 0.010 0.000 0.838 279 E CB -0.316 29.398 29.700 0.023 0.000 0.748 279 E HN 0.282 nan 8.360 nan 0.000 0.459 280 A N 1.691 124.515 122.820 0.006 0.000 1.842 280 A HA -0.250 4.071 4.320 0.001 0.000 0.217 280 A C 2.028 179.603 177.584 -0.016 0.000 1.206 280 A CA 2.035 54.074 52.037 0.003 0.000 0.630 280 A CB -0.444 18.561 19.000 0.009 0.000 0.839 280 A HN 0.023 nan 8.150 nan 0.000 0.447 281 K N -0.308 120.075 120.400 -0.029 0.000 2.515 281 K HA 0.038 4.359 4.320 0.001 0.000 0.196 281 K C 2.041 178.563 176.600 -0.130 0.000 1.038 281 K CA 0.473 56.722 56.287 -0.062 0.000 0.967 281 K CB -0.083 32.395 32.500 -0.038 0.000 0.780 281 K HN 0.292 nan 8.250 nan 0.000 0.483 282 R N 0.472 120.904 120.500 -0.114 0.000 2.089 282 R HA -0.057 4.284 4.340 0.001 0.000 0.222 282 R C 2.188 178.448 176.300 -0.066 0.000 1.151 282 R CA 1.446 57.471 56.100 -0.124 0.000 0.908 282 R CB -1.360 28.898 30.300 -0.069 0.000 0.813 282 R HN 0.260 nan 8.270 nan 0.000 0.440 283 L N -0.816 120.397 121.223 -0.017 0.000 2.089 283 L HA -0.044 4.297 4.340 0.001 0.000 0.213 283 L C 2.112 178.981 176.870 -0.002 0.000 1.079 283 L CA 2.476 57.327 54.840 0.018 0.000 0.758 283 L CB -1.698 40.390 42.059 0.049 0.000 0.891 283 L HN 0.205 nan 8.230 nan 0.000 0.433 284 G N 0.166 108.956 108.800 -0.017 0.000 2.524 284 G HA2 -0.219 3.741 3.960 0.001 0.000 0.215 284 G HA3 -0.219 3.741 3.960 0.001 0.000 0.215 284 G C 1.552 176.431 174.900 -0.035 0.000 1.239 284 G CA 0.785 45.874 45.100 -0.019 0.000 0.798 284 G HN 0.384 nan 8.290 nan 0.000 0.557 285 I N 0.381 120.909 120.570 -0.070 0.000 2.700 285 I HA 0.007 4.178 4.170 0.001 0.000 0.261 285 I C 1.923 178.011 176.117 -0.049 0.000 1.219 285 I CA 1.165 62.422 61.300 -0.072 0.000 1.463 285 I CB -0.247 37.686 38.000 -0.112 0.000 1.092 285 I HN 0.006 nan 8.210 nan 0.000 0.452 286 K N 0.417 120.787 120.400 -0.051 0.000 2.400 286 K HA -0.043 4.277 4.320 0.001 0.000 0.194 286 K C 1.879 178.457 176.600 -0.037 0.000 1.033 286 K CA 0.394 56.657 56.287 -0.040 0.000 1.021 286 K CB -0.090 32.390 32.500 -0.033 0.000 0.808 286 K HN 0.215 nan 8.250 nan 0.000 0.505 287 K N -0.233 120.157 120.400 -0.018 0.000 2.186 287 K HA 0.063 4.384 4.320 0.001 0.000 0.202 287 K C 1.586 178.224 176.600 0.063 0.000 1.052 287 K CA 0.995 57.280 56.287 -0.005 0.000 0.965 287 K CB 0.113 32.627 32.500 0.024 0.000 0.746 287 K HN 0.081 nan 8.250 nan 0.000 0.457 288 A N 0.772 123.636 122.820 0.073 0.000 2.132 288 A HA 0.074 4.395 4.320 0.001 0.000 0.213 288 A C 1.785 179.422 177.584 0.090 0.000 1.154 288 A CA 0.205 52.316 52.037 0.123 0.000 0.753 288 A CB -0.054 18.995 19.000 0.082 0.000 0.826 288 A HN 0.197 nan 8.150 nan 0.000 0.469 289 I N 0.716 121.314 120.570 0.047 0.000 2.277 289 I HA -0.130 4.041 4.170 0.001 0.000 0.243 289 I C 2.721 178.874 176.117 0.061 0.000 1.094 289 I CA 2.249 63.576 61.300 0.044 0.000 1.393 289 I CB -1.356 36.650 38.000 0.010 0.000 1.078 289 I HN 0.505 nan 8.210 nan 0.000 0.417 290 T N -0.864 113.696 114.554 0.011 0.000 2.951 290 T HA 0.047 4.398 4.350 0.001 0.000 0.268 290 T C 1.901 176.705 174.700 0.173 0.000 1.073 290 T CA 0.895 62.999 62.100 0.006 0.000 1.134 290 T CB -0.309 68.470 68.868 -0.148 0.000 0.884 290 T HN 0.225 nan 8.240 nan 0.000 0.479 291 A N 2.076 124.990 122.820 0.157 0.000 2.016 291 A HA 0.020 4.340 4.320 0.001 0.000 0.217 291 A C 2.389 180.084 177.584 0.185 0.000 1.162 291 A CA 1.123 53.275 52.037 0.192 0.000 0.662 291 A CB -0.727 18.372 19.000 0.164 0.000 0.812 291 A HN 0.554 nan 8.150 nan 0.000 0.450 292 N N 0.540 119.342 118.700 0.170 0.000 2.270 292 N HA -0.102 4.639 4.740 0.001 0.000 0.181 292 N C 1.295 176.960 175.510 0.259 0.000 1.016 292 N CA 1.266 54.420 53.050 0.173 0.000 0.870 292 N CB -0.114 38.453 38.487 0.133 0.000 0.979 292 N HN 0.333 nan 8.380 nan 0.000 0.431 293 I N 0.623 121.381 120.570 0.315 0.000 2.928 293 I HA 0.001 4.172 4.170 0.001 0.000 0.266 293 I C 1.845 178.258 176.117 0.493 0.000 1.234 293 I CA 0.522 62.130 61.300 0.513 0.000 1.483 293 I CB -1.111 37.163 38.000 0.456 0.000 1.097 293 I HN 0.025 nan 8.210 nan 0.000 0.455 294 S N 0.455 116.381 115.700 0.377 0.000 2.461 294 S HA -0.008 4.462 4.470 0.001 0.000 0.228 294 S C 1.852 176.537 174.600 0.142 0.000 1.005 294 S CA 0.793 59.202 58.200 0.348 0.000 0.942 294 S CB 0.072 63.485 63.200 0.355 0.000 0.776 294 S HN 0.223 nan 8.310 nan 0.000 0.514 295 M N 1.145 120.839 119.600 0.156 0.000 2.191 295 M HA 0.228 4.709 4.480 0.001 0.000 0.262 295 M C 2.349 178.737 176.300 0.147 0.000 1.083 295 M CA 1.016 56.373 55.300 0.095 0.000 1.154 295 M CB -1.530 31.130 32.600 0.100 0.000 1.344 295 M HN 0.314 nan 8.290 nan 0.000 0.431 296 G N -0.657 108.275 108.800 0.220 0.000 2.479 296 G HA2 -0.059 3.901 3.960 0.001 0.000 0.220 296 G HA3 -0.059 3.901 3.960 0.001 0.000 0.220 296 G C 1.518 176.315 174.900 -0.171 0.000 1.115 296 G CA 1.122 46.316 45.100 0.157 0.000 0.757 296 G HN 0.550 nan 8.290 nan 0.000 0.560 297 A N 0.596 123.331 122.820 -0.142 0.000 1.943 297 A HA 0.569 4.890 4.320 0.001 0.000 0.213 297 A C 2.708 180.110 177.584 -0.303 0.000 1.181 297 A CA 1.557 53.445 52.037 -0.248 0.000 0.653 297 A CB -0.460 18.539 19.000 -0.001 0.000 0.833 297 A HN 0.562 nan 8.150 nan 0.000 0.451 298 A N -0.775 121.910 122.820 -0.225 0.000 1.873 298 A HA 0.069 4.390 4.320 0.001 0.000 0.215 298 A C 1.912 179.443 177.584 -0.088 0.000 1.186 298 A CA 1.407 53.316 52.037 -0.214 0.000 0.616 298 A CB -0.742 18.273 19.000 0.025 0.000 0.823 298 A HN 0.382 nan 8.150 nan 0.000 0.442 299 F N 0.213 120.128 119.950 -0.058 0.000 2.069 299 F HA -0.140 4.388 4.527 0.001 0.000 0.298 299 F C 2.221 177.989 175.800 -0.054 0.000 1.113 299 F CA 1.400 59.370 58.000 -0.051 0.000 1.214 299 F CB -0.665 38.288 39.000 -0.079 0.000 0.978 299 F HN 0.082 nan 8.300 nan 0.000 0.474 300 L N -1.045 120.244 121.223 0.110 0.000 2.046 300 L HA -0.224 4.117 4.340 0.001 0.000 0.208 300 L C 2.400 179.370 176.870 0.165 0.000 1.077 300 L CA 0.653 55.555 54.840 0.103 0.000 0.747 300 L CB -0.719 41.298 42.059 -0.069 0.000 0.896 300 L HN 0.183 nan 8.230 nan 0.000 0.432 301 L N 0.239 121.487 121.223 0.042 0.000 1.944 301 L HA -0.268 4.073 4.340 0.001 0.000 0.218 301 L C 2.405 179.338 176.870 0.105 0.000 1.075 301 L CA 1.940 56.811 54.840 0.052 0.000 0.767 301 L CB -0.549 41.422 42.059 -0.146 0.000 0.890 301 L HN 0.066 nan 8.230 nan 0.000 0.434 302 I N -1.031 119.573 120.570 0.056 0.000 2.399 302 I HA -0.364 3.807 4.170 0.001 0.000 0.254 302 I C 2.420 178.655 176.117 0.196 0.000 1.146 302 I CA 1.482 62.825 61.300 0.073 0.000 1.412 302 I CB -1.660 36.383 38.000 0.072 0.000 1.076 302 I HN 0.484 nan 8.210 nan 0.000 0.432 303 Y N 1.940 122.297 120.300 0.095 0.000 2.006 303 Y HA -0.358 4.193 4.550 0.001 0.000 0.266 303 Y C 2.800 178.800 175.900 0.168 0.000 1.133 303 Y CA 1.793 59.985 58.100 0.154 0.000 1.098 303 Y CB -0.065 38.441 38.460 0.076 0.000 0.969 303 Y HN 0.165 nan 8.280 nan 0.000 0.482 304 A N -0.263 122.659 122.820 0.169 0.000 1.944 304 A HA -0.405 3.916 4.320 0.001 0.000 0.222 304 A C 2.342 179.746 177.584 -0.301 0.000 1.237 304 A CA 2.673 54.709 52.037 -0.001 0.000 0.668 304 A CB -1.682 17.456 19.000 0.229 0.000 0.830 304 A HN 0.602 nan 8.150 nan 0.000 0.471 305 S N -1.495 114.027 115.700 -0.297 0.000 2.359 305 S HA -0.253 4.218 4.470 0.001 0.000 0.224 305 S C 1.900 176.343 174.600 -0.262 0.000 1.035 305 S CA 1.954 59.896 58.200 -0.430 0.000 1.018 305 S CB -0.702 62.367 63.200 -0.218 0.000 0.876 305 S HN 0.951 nan 8.310 nan 0.000 0.448 306 Y N 2.229 122.420 120.300 -0.181 0.000 2.030 306 Y HA -0.236 4.315 4.550 0.001 0.000 0.272 306 Y C 2.340 178.031 175.900 -0.347 0.000 1.185 306 Y CA 1.491 59.451 58.100 -0.233 0.000 1.120 306 Y CB -1.354 36.961 38.460 -0.242 0.000 0.955 306 Y HN 0.254 nan 8.280 nan 0.000 0.495 307 A N 1.492 123.446 122.820 -1.444 0.000 1.865 307 A HA -0.184 4.137 4.320 0.001 0.000 0.217 307 A C 2.238 179.534 177.584 -0.480 0.000 1.191 307 A CA 1.955 53.206 52.037 -1.309 0.000 0.623 307 A CB -1.498 17.054 19.000 -0.746 0.000 0.826 307 A HN 0.678 nan 8.150 nan 0.000 0.444 308 L N -0.237 120.784 121.223 -0.337 0.000 2.002 308 L HA -0.252 4.089 4.340 0.001 0.000 0.242 308 L C 2.671 179.658 176.870 0.195 0.000 1.095 308 L CA 3.021 57.821 54.840 -0.067 0.000 0.834 308 L CB -1.278 40.464 42.059 -0.527 0.000 0.918 308 L HN 0.444 nan 8.230 nan 0.000 0.438 309 A N -1.111 121.753 122.820 0.073 0.000 1.915 309 A HA -0.322 3.999 4.320 0.001 0.000 0.220 309 A C 2.178 179.899 177.584 0.229 0.000 1.198 309 A CA 2.389 54.541 52.037 0.193 0.000 0.647 309 A CB -1.487 17.607 19.000 0.157 0.000 0.825 309 A HN 0.648 nan 8.150 nan 0.000 0.456 310 F N -1.403 118.476 119.950 -0.118 0.000 2.066 310 F HA -0.345 4.183 4.527 0.001 0.000 0.302 310 F C 2.405 178.111 175.800 -0.157 0.000 1.254 310 F CA 2.127 59.968 58.000 -0.264 0.000 1.219 310 F CB -0.599 37.862 39.000 -0.898 0.000 0.936 310 F HN 0.473 nan 8.300 nan 0.000 0.542 311 W N -1.408 119.883 121.300 -0.014 0.000 2.290 311 W HA -0.362 4.299 4.660 0.002 0.000 0.311 311 W C 2.346 178.665 176.519 -0.334 0.000 1.238 311 W CA 0.743 57.956 57.345 -0.221 0.000 1.255 311 W CB -0.865 28.566 29.460 -0.048 0.000 1.145 311 W HN 0.303 nan 8.180 nan 0.000 0.506 312 Y N 1.041 121.179 120.300 -0.270 0.000 2.044 312 Y HA -0.204 4.347 4.550 0.001 0.000 0.264 312 Y C 2.573 178.295 175.900 -0.296 0.000 1.111 312 Y CA 2.123 59.847 58.100 -0.627 0.000 1.088 312 Y CB -1.265 36.854 38.460 -0.567 0.000 0.981 312 Y HN -0.097 nan 8.280 nan 0.000 0.478 313 G N -1.101 107.636 108.800 -0.104 0.000 2.606 313 G HA2 -0.355 3.606 3.960 0.001 0.000 0.223 313 G HA3 -0.355 3.606 3.960 0.001 0.000 0.223 313 G C 1.607 176.402 174.900 -0.176 0.000 1.106 313 G CA 1.795 46.827 45.100 -0.113 0.000 0.745 313 G HN 0.497 nan 8.290 nan 0.000 0.597 314 T N 0.931 115.300 114.554 -0.307 0.000 2.643 314 T HA -0.065 4.286 4.350 0.001 0.000 0.256 314 T C 2.794 177.266 174.700 -0.381 0.000 1.061 314 T CA 1.498 63.333 62.100 -0.442 0.000 1.163 314 T CB -0.535 67.968 68.868 -0.608 0.000 0.865 314 T HN 0.313 nan 8.240 nan 0.000 0.407 315 S N 1.535 116.984 115.700 -0.418 0.000 2.408 315 S HA -0.206 4.265 4.470 0.001 0.000 0.241 315 S C 1.892 176.344 174.600 -0.246 0.000 1.080 315 S CA 1.565 59.544 58.200 -0.369 0.000 1.109 315 S CB -0.779 62.238 63.200 -0.306 0.000 0.966 315 S HN 0.353 nan 8.310 nan 0.000 0.449 316 L N 1.421 122.469 121.223 -0.291 0.000 1.973 316 L HA -0.038 4.303 4.340 0.001 0.000 0.208 316 L C 1.543 178.348 176.870 -0.108 0.000 1.073 316 L CA 1.365 56.074 54.840 -0.217 0.000 0.746 316 L CB -0.276 41.596 42.059 -0.313 0.000 0.891 316 L HN 0.176 nan 8.230 nan 0.000 0.433 317 V N 0.494 120.359 119.914 -0.082 0.000 3.564 317 V HA -0.116 4.005 4.120 0.001 0.000 0.283 317 V C 1.213 177.345 176.094 0.063 0.000 1.227 317 V CA 0.845 63.162 62.300 0.029 0.000 1.217 317 V CB -0.314 31.569 31.823 0.099 0.000 0.994 317 V HN 0.482 nan 8.190 nan 0.000 0.446 318 I N -1.952 118.602 120.570 -0.027 0.000 4.541 318 I HA 0.188 4.359 4.170 0.001 0.000 0.337 318 I C 1.640 177.850 176.117 0.156 0.000 1.338 318 I CA 0.988 62.273 61.300 -0.025 0.000 1.244 318 I CB 0.915 38.714 38.000 -0.335 0.000 1.417 318 I HN 0.083 nan 8.210 nan 0.000 0.501 319 S N -0.379 115.381 115.700 0.099 0.000 2.599 319 S HA 0.214 4.685 4.470 0.001 0.000 0.236 319 S C 1.552 176.181 174.600 0.047 0.000 1.077 319 S CA 0.105 58.373 58.200 0.115 0.000 0.906 319 S CB 0.542 63.795 63.200 0.088 0.000 0.804 319 S HN 0.204 nan 8.310 nan 0.000 0.497 320 K N 1.676 122.094 120.400 0.030 0.000 2.189 320 K HA 0.135 4.456 4.320 0.001 0.000 0.218 320 K C 0.659 177.287 176.600 0.047 0.000 1.031 320 K CA 0.387 56.688 56.287 0.024 0.000 0.962 320 K CB -0.145 32.359 32.500 0.008 0.000 1.005 320 K HN 0.420 nan 8.250 nan 0.000 0.459 321 E N 0.412 120.651 120.200 0.066 0.000 2.283 321 E HA 0.021 4.372 4.350 0.001 0.000 0.271 321 E C -0.916 175.808 176.600 0.207 0.000 1.031 321 E CA -0.843 55.625 56.400 0.113 0.000 0.868 321 E CB 0.654 30.415 29.700 0.101 0.000 1.094 321 E HN 0.294 nan 8.360 nan 0.000 0.401 322 Y N 1.690 122.020 120.300 0.051 0.000 3.027 322 Y HA -0.238 4.313 4.550 0.002 0.000 0.195 322 Y C -0.989 174.944 175.900 0.055 0.000 1.381 322 Y CA 0.536 58.672 58.100 0.059 0.000 1.015 322 Y CB -1.846 36.652 38.460 0.063 0.000 1.329 322 Y HN 0.522 nan 8.280 nan 0.000 0.462 323 S N 3.240 118.926 115.700 -0.024 0.000 3.900 323 S HA 0.325 4.796 4.470 0.001 0.000 0.248 323 S C 0.974 175.493 174.600 -0.136 0.000 1.310 323 S CA 0.203 58.381 58.200 -0.036 0.000 0.915 323 S CB -0.665 62.536 63.200 0.002 0.000 1.588 323 S HN 0.554 nan 8.310 nan 0.000 0.472 324 I N -1.735 118.668 120.570 -0.279 0.000 4.225 324 I HA 0.437 4.608 4.170 0.001 0.000 0.327 324 I C 1.166 177.214 176.117 -0.115 0.000 1.422 324 I CA -0.683 60.457 61.300 -0.266 0.000 1.150 324 I CB -0.628 37.066 38.000 -0.510 0.000 1.192 324 I HN 0.370 nan 8.210 nan 0.000 0.440 325 G N 2.002 110.815 108.800 0.021 0.000 2.468 325 G HA2 -0.373 3.588 3.960 0.001 0.000 0.311 325 G HA3 -0.373 3.588 3.960 0.001 0.000 0.311 325 G C 0.747 175.615 174.900 -0.053 0.000 0.942 325 G CA 1.452 46.573 45.100 0.035 0.000 0.893 325 G HN 0.577 nan 8.290 nan 0.000 0.513 326 Q N -1.373 118.368 119.800 -0.098 0.000 2.064 326 Q HA 0.307 4.648 4.340 0.001 0.000 0.213 326 Q C 2.020 178.059 176.000 0.064 0.000 0.779 326 Q CA 0.691 56.490 55.803 -0.006 0.000 1.032 326 Q CB 0.341 29.068 28.738 -0.019 0.000 1.203 326 Q HN 0.704 nan 8.270 nan 0.000 0.457 327 V N -1.347 118.582 119.914 0.025 0.000 2.759 327 V HA -0.137 3.983 4.120 0.001 0.000 0.256 327 V C 1.975 178.249 176.094 0.299 0.000 1.080 327 V CA 1.289 63.742 62.300 0.253 0.000 1.101 327 V CB -0.911 30.990 31.823 0.129 0.000 0.698 327 V HN 0.366 nan 8.190 nan 0.000 0.477 328 L N 1.713 123.011 121.223 0.124 0.000 2.030 328 L HA -0.228 4.113 4.340 0.001 0.000 0.222 328 L C 2.438 179.547 176.870 0.397 0.000 1.082 328 L CA 3.028 58.017 54.840 0.248 0.000 0.785 328 L CB -1.394 40.798 42.059 0.222 0.000 0.895 328 L HN 0.477 nan 8.230 nan 0.000 0.439 329 T N -0.542 114.220 114.554 0.347 0.000 2.486 329 T HA -0.274 4.077 4.350 0.001 0.000 0.257 329 T C 1.842 176.719 174.700 0.296 0.000 1.175 329 T CA 2.835 65.125 62.100 0.316 0.000 1.207 329 T CB -0.919 68.094 68.868 0.241 0.000 0.864 329 T HN 0.293 nan 8.240 nan 0.000 0.405 330 V N 1.175 121.231 119.914 0.237 0.000 2.222 330 V HA -0.262 3.859 4.120 0.001 0.000 0.252 330 V C 2.167 178.354 176.094 0.154 0.000 1.060 330 V CA 2.239 64.613 62.300 0.124 0.000 1.027 330 V CB -1.434 30.391 31.823 0.004 0.000 0.644 330 V HN 0.320 nan 8.190 nan 0.000 0.448 331 F N -0.393 119.597 119.950 0.066 0.000 2.011 331 F HA -0.176 4.352 4.527 0.001 0.000 0.296 331 F C 2.324 178.403 175.800 0.466 0.000 1.144 331 F CA 2.206 60.225 58.000 0.032 0.000 1.185 331 F CB -1.138 37.461 39.000 -0.668 0.000 0.961 331 F HN -0.001 nan 8.300 nan 0.000 0.485 332 F N 0.094 120.408 119.950 0.607 0.000 2.063 332 F HA -0.376 4.151 4.527 0.001 0.000 0.298 332 F C 2.884 178.835 175.800 0.252 0.000 1.109 332 F CA 1.466 59.800 58.000 0.557 0.000 1.212 332 F CB -0.489 38.752 39.000 0.403 0.000 0.973 332 F HN 0.035 nan 8.300 nan 0.000 0.480 333 S N -0.346 115.499 115.700 0.242 0.000 2.368 333 S HA -0.271 4.200 4.470 0.001 0.000 0.226 333 S C 2.024 176.637 174.600 0.022 0.000 1.044 333 S CA 1.579 59.803 58.200 0.041 0.000 1.062 333 S CB -0.910 62.336 63.200 0.077 0.000 0.931 333 S HN 0.343 nan 8.310 nan 0.000 0.440 334 V N 2.178 122.143 119.914 0.085 0.000 2.469 334 V HA -0.125 3.996 4.120 0.001 0.000 0.251 334 V C 2.217 178.319 176.094 0.013 0.000 1.064 334 V CA 2.122 64.457 62.300 0.058 0.000 1.066 334 V CB -0.576 31.287 31.823 0.066 0.000 0.667 334 V HN 0.675 nan 8.190 nan 0.000 0.461 335 L N -0.152 121.084 121.223 0.022 0.000 2.013 335 L HA -0.225 4.116 4.340 0.001 0.000 0.212 335 L C 2.320 178.984 176.870 -0.345 0.000 1.073 335 L CA 2.627 57.349 54.840 -0.197 0.000 0.753 335 L CB -0.384 41.523 42.059 -0.253 0.000 0.890 335 L HN 0.358 nan 8.230 nan 0.000 0.432 336 I N 0.096 120.491 120.570 -0.293 0.000 2.248 336 I HA -0.248 3.923 4.170 0.001 0.000 0.248 336 I C 2.655 178.716 176.117 -0.095 0.000 1.107 336 I CA 1.258 62.420 61.300 -0.230 0.000 1.373 336 I CB -1.355 36.534 38.000 -0.186 0.000 1.055 336 I HN 0.444 nan 8.210 nan 0.000 0.418 337 G N 0.805 109.577 108.800 -0.047 0.000 2.442 337 G HA2 -0.240 3.721 3.960 0.001 0.000 0.219 337 G HA3 -0.240 3.721 3.960 0.001 0.000 0.219 337 G C 1.864 176.775 174.900 0.018 0.000 1.141 337 G CA 0.984 46.091 45.100 0.012 0.000 0.763 337 G HN 0.514 nan 8.290 nan 0.000 0.554 338 A N 0.780 123.599 122.820 -0.002 0.000 1.828 338 A HA 0.092 4.413 4.320 0.001 0.000 0.215 338 A C 2.226 179.916 177.584 0.177 0.000 1.203 338 A CA 1.385 53.459 52.037 0.060 0.000 0.614 338 A CB -0.824 18.192 19.000 0.027 0.000 0.844 338 A HN 0.369 nan 8.150 nan 0.000 0.445 339 F N 1.306 121.208 119.950 -0.080 0.000 2.192 339 F HA -0.266 4.262 4.527 0.001 0.000 0.301 339 F C 2.871 178.620 175.800 -0.085 0.000 1.079 339 F CA 1.029 58.969 58.000 -0.099 0.000 1.303 339 F CB -0.165 38.763 39.000 -0.120 0.000 1.024 339 F HN 0.416 nan 8.300 nan 0.000 0.494 340 S N -0.465 115.297 115.700 0.104 0.000 2.428 340 S HA -0.091 4.379 4.470 0.001 0.000 0.230 340 S C 1.741 176.327 174.600 -0.022 0.000 1.014 340 S CA 0.832 59.029 58.200 -0.006 0.000 0.957 340 S CB -0.796 62.365 63.200 -0.065 0.000 0.784 340 S HN 0.173 nan 8.310 nan 0.000 0.499 341 V N 2.325 122.242 119.914 0.006 0.000 2.515 341 V HA -0.012 4.108 4.120 0.001 0.000 0.250 341 V C 2.777 178.861 176.094 -0.016 0.000 1.058 341 V CA 1.608 63.898 62.300 -0.018 0.000 1.064 341 V CB -1.610 30.209 31.823 -0.007 0.000 0.675 341 V HN 0.622 nan 8.190 nan 0.000 0.461 342 G N -0.478 108.325 108.800 0.004 0.000 2.524 342 G HA2 -0.246 3.715 3.960 0.001 0.000 0.215 342 G HA3 -0.246 3.715 3.960 0.001 0.000 0.215 342 G C 1.405 176.287 174.900 -0.030 0.000 1.239 342 G CA 0.652 45.738 45.100 -0.022 0.000 0.798 342 G HN 0.435 nan 8.290 nan 0.000 0.557 343 Q N 0.737 120.520 119.800 -0.030 0.000 2.173 343 Q HA -0.201 4.140 4.340 0.001 0.000 0.208 343 Q C 2.920 178.919 176.000 -0.001 0.000 0.989 343 Q CA 1.649 57.447 55.803 -0.009 0.000 0.872 343 Q CB -1.051 27.691 28.738 0.007 0.000 0.909 343 Q HN 0.461 nan 8.270 nan 0.000 0.420 344 A N 0.716 123.521 122.820 -0.024 0.000 1.917 344 A HA -0.249 4.072 4.320 0.001 0.000 0.219 344 A C 2.419 179.982 177.584 -0.035 0.000 1.182 344 A CA 2.170 54.185 52.037 -0.036 0.000 0.633 344 A CB -0.861 18.098 19.000 -0.068 0.000 0.819 344 A HN 0.401 nan 8.150 nan 0.000 0.448 345 S N -0.061 115.620 115.700 -0.032 0.000 2.354 345 S HA -0.103 4.368 4.470 0.001 0.000 0.219 345 S C -0.117 174.478 174.600 -0.007 0.000 1.035 345 S CA 1.788 59.972 58.200 -0.027 0.000 1.037 345 S CB -1.074 62.115 63.200 -0.018 0.000 0.956 345 S HN 0.390 nan 8.310 nan 0.000 0.428 346 P HA -0.058 nan 4.420 nan 0.000 0.215 346 P C 0.878 178.198 177.300 0.032 0.000 1.153 346 P CA 1.386 64.499 63.100 0.021 0.000 0.853 346 P CB -0.293 31.424 31.700 0.027 0.000 0.788 347 N N -0.519 118.204 118.700 0.037 0.000 2.036 347 N HA -0.170 4.571 4.740 0.001 0.000 0.195 347 N C 1.749 177.284 175.510 0.042 0.000 1.037 347 N CA 1.014 54.093 53.050 0.049 0.000 0.855 347 N CB -0.625 37.900 38.487 0.062 0.000 1.033 347 N HN 0.091 nan 8.380 nan 0.000 0.423 348 I N 1.424 121.994 120.570 -0.001 0.000 2.113 348 I HA -0.353 3.818 4.170 0.001 0.000 0.242 348 I C 2.667 178.817 176.117 0.057 0.000 1.064 348 I CA 1.397 62.684 61.300 -0.022 0.000 1.320 348 I CB -0.484 37.462 38.000 -0.090 0.000 1.028 348 I HN 0.320 nan 8.210 nan 0.000 0.406 349 E N 1.351 121.570 120.200 0.032 0.000 2.055 349 E HA -0.353 3.998 4.350 0.001 0.000 0.209 349 E C 2.198 178.834 176.600 0.060 0.000 1.036 349 E CA 2.089 58.513 56.400 0.040 0.000 0.849 349 E CB -0.223 29.494 29.700 0.029 0.000 0.767 349 E HN 0.481 nan 8.360 nan 0.000 0.461 350 A N 0.137 122.991 122.820 0.057 0.000 1.997 350 A HA -0.225 4.096 4.320 0.001 0.000 0.221 350 A C 2.065 179.675 177.584 0.044 0.000 1.172 350 A CA 1.729 53.793 52.037 0.046 0.000 0.645 350 A CB -1.021 18.002 19.000 0.038 0.000 0.813 350 A HN 0.604 nan 8.150 nan 0.000 0.454 351 F N 0.543 120.444 119.950 -0.082 0.000 2.234 351 F HA 0.083 4.611 4.527 0.001 0.000 0.299 351 F C 2.335 178.028 175.800 -0.178 0.000 1.087 351 F CA 0.770 58.690 58.000 -0.134 0.000 1.340 351 F CB -0.393 38.518 39.000 -0.149 0.000 1.031 351 F HN 0.274 nan 8.300 nan 0.000 0.500 352 A N 0.978 123.870 122.820 0.120 0.000 1.819 352 A HA -0.186 4.135 4.320 0.001 0.000 0.215 352 A C 1.965 179.524 177.584 -0.041 0.000 1.226 352 A CA 1.800 53.859 52.037 0.037 0.000 0.608 352 A CB -1.313 17.724 19.000 0.060 0.000 0.877 352 A HN 0.447 nan 8.150 nan 0.000 0.452 353 N N 0.485 119.185 118.700 0.000 0.000 2.111 353 N HA -0.231 4.510 4.740 0.001 0.000 0.197 353 N C 1.679 177.192 175.510 0.004 0.000 1.011 353 N CA 2.124 55.179 53.050 0.009 0.000 0.880 353 N CB -0.410 38.089 38.487 0.020 0.000 1.031 353 N HN 0.552 nan 8.380 nan 0.000 0.444 354 A N 0.619 123.420 122.820 -0.032 0.000 1.855 354 A HA -0.105 4.216 4.320 0.001 0.000 0.215 354 A C 2.158 179.759 177.584 0.029 0.000 1.191 354 A CA 1.529 53.581 52.037 0.024 0.000 0.613 354 A CB -0.621 18.380 19.000 0.001 0.000 0.829 354 A HN 0.279 nan 8.150 nan 0.000 0.442 355 R N -0.553 119.652 120.500 -0.490 0.000 2.127 355 R HA -0.112 4.228 4.340 0.001 0.000 0.228 355 R C 2.264 178.617 176.300 0.088 0.000 1.125 355 R CA 2.171 57.794 56.100 -0.796 0.000 0.904 355 R CB -1.181 28.610 30.300 -0.847 0.000 0.831 355 R HN 0.394 nan 8.270 nan 0.000 0.431 356 G N -0.137 108.744 108.800 0.136 0.000 2.812 356 G HA2 -0.407 3.554 3.960 0.001 0.000 0.218 356 G HA3 -0.407 3.554 3.960 0.001 0.000 0.218 356 G C 1.564 176.450 174.900 -0.024 0.000 1.287 356 G CA 1.674 46.923 45.100 0.248 0.000 0.796 356 G HN 0.619 nan 8.290 nan 0.000 0.649 357 A N 0.840 123.656 122.820 -0.007 0.000 1.883 357 A HA 0.151 4.472 4.320 0.001 0.000 0.217 357 A C 2.895 180.473 177.584 -0.010 0.000 1.186 357 A CA 2.956 54.968 52.037 -0.042 0.000 0.624 357 A CB -1.034 17.970 19.000 0.008 0.000 0.822 357 A HN 1.189 nan 8.150 nan 0.000 0.444 358 A N -0.390 122.511 122.820 0.136 0.000 1.865 358 A HA -0.130 4.191 4.320 0.001 0.000 0.217 358 A C 2.211 179.936 177.584 0.235 0.000 1.191 358 A CA 1.926 54.090 52.037 0.212 0.000 0.623 358 A CB -1.175 18.058 19.000 0.388 0.000 0.826 358 A HN 1.145 nan 8.150 nan 0.000 0.444 359 Y N -0.169 120.262 120.300 0.217 0.000 2.181 359 Y HA -0.070 4.480 4.550 0.001 0.000 0.288 359 Y C 1.950 177.915 175.900 0.109 0.000 1.146 359 Y CA 1.643 59.796 58.100 0.088 0.000 1.164 359 Y CB -0.725 37.735 38.460 0.000 0.000 0.982 359 Y HN 0.390 nan 8.280 nan 0.000 0.515 360 E N 0.605 120.318 120.200 -0.812 0.000 2.031 360 E HA -0.164 4.186 4.350 0.001 0.000 0.193 360 E C 2.344 178.829 176.600 -0.192 0.000 0.994 360 E CA 2.247 58.298 56.400 -0.581 0.000 0.800 360 E CB -0.223 29.125 29.700 -0.587 0.000 0.752 360 E HN 0.529 nan 8.360 nan 0.000 0.447 361 V N -0.918 118.917 119.914 -0.132 0.000 3.217 361 V HA -0.079 4.041 4.120 0.001 0.000 0.264 361 V C 1.844 177.849 176.094 -0.148 0.000 1.135 361 V CA 0.935 63.176 62.300 -0.099 0.000 1.142 361 V CB -0.557 31.228 31.823 -0.063 0.000 0.754 361 V HN 0.158 nan 8.190 nan 0.000 0.484 362 F N 1.668 121.482 119.950 -0.226 0.000 2.206 362 F HA 0.104 4.631 4.527 0.001 0.000 0.298 362 F C 2.260 177.937 175.800 -0.206 0.000 1.090 362 F CA 1.718 59.574 58.000 -0.240 0.000 1.323 362 F CB -0.153 38.778 39.000 -0.115 0.000 1.028 362 F HN 0.034 nan 8.300 nan 0.000 0.492 363 K N 0.056 120.568 120.400 0.187 0.000 2.057 363 K HA -0.121 4.200 4.320 0.001 0.000 0.207 363 K C 1.738 178.325 176.600 -0.021 0.000 1.049 363 K CA 1.353 57.705 56.287 0.109 0.000 0.931 363 K CB -0.227 32.318 32.500 0.075 0.000 0.714 363 K HN 0.246 nan 8.250 nan 0.000 0.440 364 I N 1.083 121.613 120.570 -0.066 0.000 3.334 364 I HA -0.087 4.083 4.170 0.001 0.000 0.282 364 I C 1.676 177.698 176.117 -0.158 0.000 1.313 364 I CA 1.008 62.270 61.300 -0.064 0.000 1.396 364 I CB -0.901 37.086 38.000 -0.022 0.000 1.054 364 I HN 0.163 nan 8.210 nan 0.000 0.495 365 I N 0.439 120.808 120.570 -0.336 0.000 5.440 365 I HA -0.049 4.121 4.170 0.001 0.000 0.231 365 I C 1.833 177.726 176.117 -0.374 0.000 0.932 365 I CA 0.325 61.289 61.300 -0.559 0.000 1.720 365 I CB -0.429 36.939 38.000 -1.053 0.000 1.458 365 I HN -0.044 nan 8.210 nan 0.000 0.463 366 D N 1.776 121.848 120.400 -0.546 0.000 2.220 366 D HA -0.177 4.464 4.640 0.001 0.000 0.198 366 D C 0.478 176.684 176.300 -0.157 0.000 1.001 366 D CA 0.844 54.627 54.000 -0.361 0.000 0.875 366 D CB -0.702 39.833 40.800 -0.442 0.000 0.921 366 D HN 0.397 nan 8.370 nan 0.000 0.454 367 N N 1.432 120.061 118.700 -0.118 0.000 2.353 367 N HA -0.137 4.604 4.740 0.001 0.000 0.248 367 N C -0.411 175.068 175.510 -0.052 0.000 1.240 367 N CA 0.555 53.572 53.050 -0.055 0.000 0.862 367 N CB 0.524 38.993 38.487 -0.029 0.000 1.086 367 N HN 0.099 nan 8.380 nan 0.000 0.453 368 K N 2.330 122.701 120.400 -0.048 0.000 3.022 368 K HA 0.231 4.552 4.320 0.001 0.000 0.178 368 K C -1.777 174.782 176.600 -0.069 0.000 1.089 368 K CA -1.349 54.901 56.287 -0.062 0.000 0.916 368 K CB 1.200 33.648 32.500 -0.086 0.000 1.159 368 K HN 0.415 nan 8.250 nan 0.000 0.592 369 P HA -0.319 nan 4.420 nan 0.000 0.208 369 P C 0.659 177.927 177.300 -0.053 0.000 1.180 369 P CA 1.599 64.681 63.100 -0.029 0.000 0.935 369 P CB 0.109 31.811 31.700 0.005 0.000 0.785 370 S N -0.845 114.837 115.700 -0.029 0.000 3.665 370 S HA -0.351 4.120 4.470 0.001 0.000 0.601 370 S C 1.152 175.727 174.600 -0.043 0.000 2.488 370 S CA 1.041 59.223 58.200 -0.030 0.000 4.101 370 S CB -1.615 61.536 63.200 -0.080 0.000 0.503 370 S HN 0.224 nan 8.310 nan 0.000 0.989 371 I N 0.604 121.135 120.570 -0.064 0.000 3.824 371 I HA -0.262 3.909 4.170 0.001 0.000 0.155 371 I C 0.789 176.922 176.117 0.027 0.000 0.345 371 I CA 2.073 63.354 61.300 -0.031 0.000 1.249 371 I CB -2.758 35.209 38.000 -0.055 0.000 1.095 371 I HN 1.022 nan 8.210 nan 0.000 0.223 372 D N -0.030 120.383 120.400 0.022 0.000 2.319 372 D HA 0.253 4.894 4.640 0.001 0.000 0.230 372 D C 1.023 177.344 176.300 0.036 0.000 1.094 372 D CA 0.987 55.001 54.000 0.023 0.000 0.856 372 D CB 0.502 41.300 40.800 -0.002 0.000 0.915 372 D HN 0.456 nan 8.370 nan 0.000 0.517 373 S N -1.179 114.572 115.700 0.084 0.000 6.696 373 S HA 0.207 4.678 4.470 0.001 0.000 0.086 373 S C -0.058 174.695 174.600 0.255 0.000 1.356 373 S CA -0.284 57.985 58.200 0.115 0.000 1.184 373 S CB 0.343 63.583 63.200 0.066 0.000 1.706 373 S HN 0.339 nan 8.310 nan 0.000 0.570 374 F N 1.008 120.973 119.950 0.025 0.000 2.183 374 F HA -0.190 4.338 4.527 0.001 0.000 0.318 374 F C -1.524 174.306 175.800 0.050 0.000 0.718 374 F CA 0.500 58.523 58.000 0.038 0.000 0.912 374 F CB -0.771 38.252 39.000 0.037 0.000 4.135 374 F HN 0.440 nan 8.300 nan 0.000 0.137 375 S N 2.380 117.839 115.700 -0.402 0.000 2.769 375 S HA 0.378 4.849 4.470 0.001 0.000 0.150 375 S C -1.175 173.032 174.600 -0.656 0.000 1.034 375 S CA -0.282 57.697 58.200 -0.367 0.000 1.096 375 S CB 1.422 64.585 63.200 -0.061 0.000 1.567 375 S HN 0.703 nan 8.310 nan 0.000 0.435 376 K N 1.318 121.293 120.400 -0.709 0.000 2.688 376 K HA 0.410 4.731 4.320 0.001 0.000 0.270 376 K C 0.175 176.606 176.600 -0.282 0.000 1.013 376 K CA 0.361 56.347 56.287 -0.502 0.000 0.924 376 K CB 1.347 33.454 32.500 -0.655 0.000 1.378 376 K HN 0.380 nan 8.250 nan 0.000 0.402 377 S N 1.901 117.524 115.700 -0.128 0.000 4.112 377 S HA -0.260 4.211 4.470 0.001 0.000 0.602 377 S C 0.819 175.403 174.600 -0.028 0.000 1.939 377 S CA 2.999 61.169 58.200 -0.049 0.000 4.230 377 S CB -2.015 61.171 63.200 -0.023 0.000 0.245 377 S HN 2.429 nan 8.310 nan 0.000 0.530 378 G N 1.223 110.019 108.800 -0.005 0.000 2.615 378 G HA2 -0.165 3.796 3.960 0.001 0.000 0.218 378 G HA3 -0.165 3.796 3.960 0.001 0.000 0.218 378 G C -0.327 174.604 174.900 0.051 0.000 1.339 378 G CA 0.660 45.773 45.100 0.022 0.000 0.884 378 G HN 1.586 nan 8.290 nan 0.000 0.559 379 H N 1.095 120.124 119.070 -0.067 0.000 2.458 379 H HA 0.557 5.113 4.556 0.001 0.000 0.330 379 H C -0.216 174.979 175.328 -0.221 0.000 1.111 379 H CA -0.938 55.046 56.048 -0.108 0.000 1.245 379 H CB 0.707 30.417 29.762 -0.087 0.000 1.456 379 H HN 0.250 nan 8.280 nan 0.000 0.488 380 K N 6.423 126.768 120.400 -0.092 0.000 2.316 380 K HA 0.237 4.557 4.320 0.001 0.000 0.267 380 K C -2.691 173.551 176.600 -0.596 0.000 1.025 380 K CA -1.938 54.051 56.287 -0.495 0.000 0.896 380 K CB 1.756 34.130 32.500 -0.210 0.000 1.124 380 K HN 0.567 nan 8.250 nan 0.000 0.451 381 P HA 0.280 nan 4.420 nan 0.000 0.253 381 P C -0.723 176.474 177.300 -0.173 0.000 1.667 381 P CA -0.407 62.425 63.100 -0.446 0.000 1.118 381 P CB 0.949 32.426 31.700 -0.371 0.000 1.595 382 D N 1.947 122.304 120.400 -0.072 0.000 2.317 382 D HA -0.117 4.524 4.640 0.001 0.000 0.211 382 D C 1.463 177.784 176.300 0.035 0.000 0.966 382 D CA 0.943 54.976 54.000 0.055 0.000 0.876 382 D CB -0.491 40.333 40.800 0.040 0.000 0.927 382 D HN 0.421 nan 8.370 nan 0.000 0.519 383 N N 1.269 119.966 118.700 -0.005 0.000 2.405 383 N HA -0.203 4.538 4.740 0.001 0.000 0.189 383 N C 1.022 176.541 175.510 0.014 0.000 1.021 383 N CA 0.706 53.754 53.050 -0.003 0.000 0.891 383 N CB -0.213 38.261 38.487 -0.022 0.000 0.955 383 N HN 0.306 nan 8.380 nan 0.000 0.443 384 I N -3.498 117.094 120.570 0.037 0.000 4.673 384 I HA -0.435 3.736 4.170 0.001 0.000 0.107 384 I C 0.474 176.608 176.117 0.029 0.000 1.209 384 I CA 0.982 62.309 61.300 0.044 0.000 0.398 384 I CB -1.280 36.736 38.000 0.026 0.000 0.906 384 I HN 0.284 nan 8.210 nan 0.000 0.268 385 Q N 1.717 121.528 119.800 0.018 0.000 2.440 385 Q HA 0.318 4.659 4.340 0.001 0.000 0.367 385 Q C -0.120 175.885 176.000 0.009 0.000 1.314 385 Q CA 1.789 57.599 55.803 0.012 0.000 1.061 385 Q CB 0.106 28.848 28.738 0.006 0.000 1.251 385 Q HN 0.919 nan 8.270 nan 0.000 0.445 386 G N 1.696 110.501 108.800 0.008 0.000 2.356 386 G HA2 0.428 4.388 3.960 0.001 0.000 0.294 386 G HA3 0.428 4.388 3.960 0.001 0.000 0.294 386 G C -1.718 173.186 174.900 0.006 0.000 1.423 386 G CA -0.888 44.216 45.100 0.006 0.000 0.806 386 G HN 0.647 nan 8.290 nan 0.000 0.527 387 N N -0.848 117.856 118.700 0.007 0.000 2.361 387 N HA 0.665 5.405 4.740 0.001 0.000 0.302 387 N C -0.708 174.809 175.510 0.012 0.000 1.074 387 N CA -0.641 52.410 53.050 0.002 0.000 0.850 387 N CB 1.874 40.360 38.487 -0.002 0.000 1.228 387 N HN 0.359 nan 8.380 nan 0.000 0.491 388 L N 1.594 122.814 121.223 -0.004 0.000 2.331 388 L HA 0.324 4.665 4.340 0.001 0.000 0.278 388 L C 0.158 177.031 176.870 0.006 0.000 1.106 388 L CA 0.201 55.047 54.840 0.010 0.000 0.824 388 L CB 0.250 42.272 42.059 -0.062 0.000 1.142 388 L HN 0.392 nan 8.230 nan 0.000 0.443 389 E N 4.127 124.402 120.200 0.124 0.000 2.265 389 E HA 0.313 4.664 4.350 0.001 0.000 0.262 389 E C -1.165 175.678 176.600 0.404 0.000 0.889 389 E CA -0.063 56.431 56.400 0.157 0.000 0.789 389 E CB 1.592 31.357 29.700 0.110 0.000 1.221 389 E HN 0.365 nan 8.360 nan 0.000 0.414 390 F N 2.667 122.634 119.950 0.028 0.000 2.303 390 F HA 0.292 4.820 4.527 0.001 0.000 0.368 390 F C 0.841 176.667 175.800 0.043 0.000 1.105 390 F CA -0.790 57.230 58.000 0.033 0.000 1.153 390 F CB 0.970 39.993 39.000 0.039 0.000 1.362 390 F HN -0.070 nan 8.300 nan 0.000 0.511 391 K N 3.116 123.629 120.400 0.189 0.000 2.268 391 K HA 0.081 4.402 4.320 0.001 0.000 0.276 391 K C -0.185 176.485 176.600 0.117 0.000 1.080 391 K CA -0.648 55.719 56.287 0.132 0.000 0.910 391 K CB 0.831 33.390 32.500 0.097 0.000 1.163 391 K HN 0.552 nan 8.250 nan 0.000 0.465 392 N N 3.263 122.042 118.700 0.131 0.000 2.664 392 N HA -0.212 4.529 4.740 0.001 0.000 0.296 392 N C -0.764 174.858 175.510 0.186 0.000 1.153 392 N CA 0.393 53.534 53.050 0.152 0.000 0.765 392 N CB -0.760 37.828 38.487 0.169 0.000 0.962 392 N HN 0.611 nan 8.380 nan 0.000 0.564 393 I N -0.483 120.166 120.570 0.132 0.000 2.339 393 I HA 0.451 4.621 4.170 0.001 0.000 0.290 393 I C -0.462 175.749 176.117 0.157 0.000 0.994 393 I CA -1.060 60.318 61.300 0.130 0.000 1.191 393 I CB 1.356 39.343 38.000 -0.022 0.000 1.343 393 I HN 0.202 nan 8.210 nan 0.000 0.458 394 H N 6.276 125.391 119.070 0.074 0.000 2.556 394 H HA 0.536 5.093 4.556 0.001 0.000 0.310 394 H C -1.338 174.083 175.328 0.155 0.000 1.057 394 H CA -0.272 55.827 56.048 0.084 0.000 1.264 394 H CB 1.087 30.880 29.762 0.051 0.000 1.404 394 H HN 0.620 nan 8.280 nan 0.000 0.462 395 F N 1.941 121.910 119.950 0.032 0.000 2.556 395 F HA 0.528 5.055 4.527 0.001 0.000 0.314 395 F C -0.557 175.239 175.800 -0.006 0.000 1.106 395 F CA -0.616 57.392 58.000 0.014 0.000 0.911 395 F CB 1.852 40.835 39.000 -0.027 0.000 1.190 395 F HN 0.403 nan 8.300 nan 0.000 0.448 396 S N 5.120 120.278 115.700 -0.903 0.000 2.503 396 S HA 0.478 4.949 4.470 0.001 0.000 0.301 396 S C -0.707 173.169 174.600 -1.206 0.000 1.087 396 S CA -0.406 57.363 58.200 -0.718 0.000 1.042 396 S CB 0.628 63.623 63.200 -0.342 0.000 1.043 396 S HN 0.688 nan 8.310 nan 0.000 0.489 397 Y N 3.216 123.047 120.300 -0.782 0.000 2.321 397 Y HA 0.116 4.667 4.550 0.001 0.000 0.353 397 Y C -0.658 175.075 175.900 -0.279 0.000 1.276 397 Y CA -1.637 56.159 58.100 -0.507 0.000 1.545 397 Y CB 0.527 38.851 38.460 -0.227 0.000 1.377 397 Y HN 0.622 nan 8.280 nan 0.000 0.650 398 P HA -0.110 nan 4.420 nan 0.000 0.222 398 P C 0.012 177.307 177.300 -0.009 0.000 1.147 398 P CA 1.041 64.179 63.100 0.064 0.000 0.790 398 P CB 0.045 31.817 31.700 0.121 0.000 0.780 399 S N 1.495 117.188 115.700 -0.011 0.000 3.829 399 S HA 0.083 4.553 4.470 0.001 0.000 0.250 399 S C 1.340 175.924 174.600 -0.027 0.000 1.263 399 S CA -0.290 57.898 58.200 -0.021 0.000 0.955 399 S CB -0.488 62.711 63.200 -0.003 0.000 1.611 399 S HN -0.024 nan 8.310 nan 0.000 0.483 400 R N 3.734 124.212 120.500 -0.037 0.000 2.316 400 R HA -0.319 4.021 4.340 0.001 0.000 0.218 400 R C 2.206 178.478 176.300 -0.047 0.000 1.089 400 R CA 2.634 58.709 56.100 -0.042 0.000 0.737 400 R CB -0.528 29.751 30.300 -0.034 0.000 0.950 400 R HN 0.559 nan 8.270 nan 0.000 0.354 401 K N 0.800 121.177 120.400 -0.037 0.000 2.209 401 K HA -0.093 4.228 4.320 0.001 0.000 0.204 401 K C 0.132 176.707 176.600 -0.042 0.000 1.048 401 K CA 0.990 57.256 56.287 -0.036 0.000 0.940 401 K CB -0.451 32.032 32.500 -0.028 0.000 0.729 401 K HN 0.279 nan 8.250 nan 0.000 0.451 402 E N 1.711 121.887 120.200 -0.040 0.000 2.708 402 E HA -0.075 4.276 4.350 0.001 0.000 0.260 402 E C -0.706 175.846 176.600 -0.081 0.000 0.937 402 E CA 0.151 56.525 56.400 -0.044 0.000 0.953 402 E CB 0.534 30.231 29.700 -0.006 0.000 0.915 402 E HN 0.108 nan 8.360 nan 0.000 0.487 403 V N 5.923 125.787 119.914 -0.084 0.000 2.529 403 V HA -0.048 4.073 4.120 0.001 0.000 0.292 403 V C 0.152 176.165 176.094 -0.136 0.000 1.028 403 V CA -0.384 61.862 62.300 -0.091 0.000 1.074 403 V CB 0.521 32.301 31.823 -0.070 0.000 0.958 403 V HN 0.709 nan 8.190 nan 0.000 0.481 404 Q N 5.640 125.365 119.800 -0.124 0.000 2.520 404 Q HA -0.116 4.225 4.340 0.001 0.000 0.320 404 Q C 0.451 176.373 176.000 -0.129 0.000 1.104 404 Q CA 0.370 56.085 55.803 -0.146 0.000 1.062 404 Q CB 0.138 28.835 28.738 -0.068 0.000 1.005 404 Q HN 0.724 nan 8.270 nan 0.000 0.390 405 I N 2.370 122.840 120.570 -0.168 0.000 2.761 405 I HA -0.136 4.034 4.170 0.001 0.000 0.261 405 I C 0.828 176.914 176.117 -0.051 0.000 1.198 405 I CA 0.633 61.850 61.300 -0.138 0.000 1.482 405 I CB 0.090 37.952 38.000 -0.231 0.000 1.100 405 I HN 0.551 nan 8.210 nan 0.000 0.445 406 L N 2.522 123.749 121.223 0.007 0.000 2.494 406 L HA 0.183 4.524 4.340 0.001 0.000 0.251 406 L C 0.719 177.540 176.870 -0.082 0.000 1.119 406 L CA -0.076 54.768 54.840 0.006 0.000 1.026 406 L CB -0.128 41.974 42.059 0.071 0.000 1.370 406 L HN 0.368 nan 8.230 nan 0.000 0.426 407 K N 0.662 120.998 120.400 -0.106 0.000 3.256 407 K HA 0.324 4.644 4.320 0.001 0.000 0.285 407 K C 0.454 176.834 176.600 -0.368 0.000 1.086 407 K CA 0.210 56.384 56.287 -0.188 0.000 1.125 407 K CB -0.414 32.037 32.500 -0.081 0.000 1.292 407 K HN 0.500 nan 8.250 nan 0.000 0.312 408 G N 1.619 110.044 108.800 -0.625 0.000 3.292 408 G HA2 -0.130 3.830 3.960 0.001 0.000 0.636 408 G HA3 -0.130 3.830 3.960 0.001 0.000 0.636 408 G C -1.123 173.699 174.900 -0.131 0.000 1.069 408 G CA -0.723 44.036 45.100 -0.570 0.000 0.890 408 G HN 0.388 nan 8.290 nan 0.000 0.427 409 L N 2.885 124.099 121.223 -0.015 0.000 2.362 409 L HA 0.698 5.039 4.340 0.001 0.000 0.275 409 L C -0.903 176.060 176.870 0.156 0.000 0.998 409 L CA -0.931 53.975 54.840 0.111 0.000 0.820 409 L CB 1.799 43.952 42.059 0.156 0.000 1.270 409 L HN 0.579 nan 8.230 nan 0.000 0.415 410 N N 6.153 124.952 118.700 0.164 0.000 2.399 410 N HA 0.595 5.336 4.740 0.001 0.000 0.284 410 N C -1.443 174.161 175.510 0.155 0.000 1.025 410 N CA -0.269 52.873 53.050 0.154 0.000 0.885 410 N CB 2.845 41.389 38.487 0.096 0.000 1.339 410 N HN 0.638 nan 8.380 nan 0.000 0.487 411 L N 2.240 123.563 121.223 0.166 0.000 2.795 411 L HA 0.284 4.625 4.340 0.001 0.000 0.260 411 L C -1.435 175.412 176.870 -0.038 0.000 0.935 411 L CA -0.694 54.182 54.840 0.059 0.000 0.985 411 L CB 1.198 43.304 42.059 0.078 0.000 1.433 411 L HN 0.476 nan 8.230 nan 0.000 0.447 412 K N 3.687 124.059 120.400 -0.048 0.000 2.207 412 K HA 0.782 5.103 4.320 0.001 0.000 0.255 412 K C -1.593 174.946 176.600 -0.101 0.000 0.941 412 K CA -0.862 55.388 56.287 -0.062 0.000 0.825 412 K CB 2.920 35.415 32.500 -0.009 0.000 1.119 412 K HN 0.232 nan 8.250 nan 0.000 0.430 413 V N 2.777 122.621 119.914 -0.117 0.000 2.569 413 V HA 0.308 4.429 4.120 0.001 0.000 0.301 413 V C -1.279 174.777 176.094 -0.063 0.000 1.044 413 V CA -0.804 61.435 62.300 -0.101 0.000 0.874 413 V CB 1.687 33.423 31.823 -0.145 0.000 1.002 413 V HN 0.823 nan 8.190 nan 0.000 0.424 414 K N 3.272 123.645 120.400 -0.044 0.000 2.187 414 K HA 0.396 4.717 4.320 0.001 0.000 0.247 414 K C 0.650 177.234 176.600 -0.027 0.000 1.019 414 K CA 0.431 56.701 56.287 -0.029 0.000 0.893 414 K CB 0.377 32.864 32.500 -0.023 0.000 1.025 414 K HN 0.929 nan 8.250 nan 0.000 0.500 415 S N -0.523 115.166 115.700 -0.017 0.000 2.624 415 S HA 0.434 4.905 4.470 0.001 0.000 0.263 415 S C 1.301 175.892 174.600 -0.014 0.000 1.287 415 S CA -0.229 57.962 58.200 -0.014 0.000 0.990 415 S CB 0.742 63.938 63.200 -0.007 0.000 0.950 415 S HN 0.951 nan 8.310 nan 0.000 0.561 416 G N 0.125 108.918 108.800 -0.011 0.000 2.322 416 G HA2 -0.296 3.665 3.960 0.001 0.000 0.264 416 G HA3 -0.296 3.665 3.960 0.001 0.000 0.264 416 G C 0.220 175.112 174.900 -0.013 0.000 0.992 416 G CA 0.938 46.032 45.100 -0.010 0.000 0.624 416 G HN 0.855 nan 8.290 nan 0.000 0.543 417 Q N -0.174 119.616 119.800 -0.018 0.000 2.370 417 Q HA 0.558 4.899 4.340 0.001 0.000 0.186 417 Q C 0.415 176.402 176.000 -0.021 0.000 1.093 417 Q CA 0.629 56.420 55.803 -0.021 0.000 1.142 417 Q CB 0.599 29.320 28.738 -0.028 0.000 1.175 417 Q HN 0.654 nan 8.270 nan 0.000 0.625 418 T N -2.488 112.052 114.554 -0.024 0.000 3.262 418 T HA 0.375 4.726 4.350 0.001 0.000 0.336 418 T C -0.985 173.699 174.700 -0.026 0.000 0.911 418 T CA -0.678 61.409 62.100 -0.021 0.000 1.154 418 T CB 0.341 69.201 68.868 -0.013 0.000 1.007 418 T HN 0.338 nan 8.240 nan 0.000 0.488 419 V N 2.869 122.762 119.914 -0.035 0.000 2.567 419 V HA 0.900 5.021 4.120 0.001 0.000 0.289 419 V C 0.110 176.192 176.094 -0.021 0.000 1.049 419 V CA -0.195 62.083 62.300 -0.037 0.000 0.969 419 V CB 0.898 32.687 31.823 -0.057 0.000 0.995 419 V HN 1.272 nan 8.190 nan 0.000 0.471 420 A N 6.336 129.150 122.820 -0.010 0.000 2.354 420 A HA 0.919 5.239 4.320 0.001 0.000 0.321 420 A C -1.427 176.188 177.584 0.052 0.000 1.125 420 A CA -0.725 51.320 52.037 0.014 0.000 0.799 420 A CB 1.504 20.513 19.000 0.016 0.000 1.293 420 A HN 0.764 nan 8.150 nan 0.000 0.452 421 L N 0.604 121.877 121.223 0.084 0.000 2.342 421 L HA 0.730 5.071 4.340 0.001 0.000 0.271 421 L C -0.293 176.674 176.870 0.162 0.000 1.008 421 L CA -0.560 54.392 54.840 0.188 0.000 0.818 421 L CB 2.014 44.189 42.059 0.193 0.000 1.296 421 L HN 0.706 nan 8.230 nan 0.000 0.427 422 V N -1.016 119.045 119.914 0.245 0.000 2.686 422 V HA 1.087 5.208 4.120 0.001 0.000 0.306 422 V C -0.264 175.986 176.094 0.260 0.000 1.065 422 V CA -0.133 62.296 62.300 0.215 0.000 0.894 422 V CB 1.066 33.052 31.823 0.271 0.000 1.004 422 V HN 0.846 nan 8.190 nan 0.000 0.424 423 G N 2.400 111.333 108.800 0.222 0.000 2.815 423 G HA2 0.620 4.581 3.960 0.001 0.000 0.305 423 G HA3 0.620 4.581 3.960 0.001 0.000 0.305 423 G C -0.490 174.563 174.900 0.256 0.000 1.277 423 G CA 0.156 45.395 45.100 0.232 0.000 0.795 423 G HN 1.063 nan 8.290 nan 0.000 0.528 424 N N -2.925 115.898 118.700 0.205 0.000 2.345 424 N HA -0.063 4.678 4.740 0.001 0.000 0.323 424 N C 1.321 176.885 175.510 0.090 0.000 0.797 424 N CA 0.810 53.955 53.050 0.158 0.000 0.580 424 N CB -0.228 38.308 38.487 0.081 0.000 2.326 424 N HN 0.230 nan 8.380 nan 0.000 1.043 425 S N 0.674 116.420 115.700 0.077 0.000 2.720 425 S HA 0.430 4.901 4.470 0.001 0.000 0.222 425 S C 0.693 175.317 174.600 0.040 0.000 0.958 425 S CA 0.547 58.775 58.200 0.046 0.000 0.943 425 S CB -0.706 62.517 63.200 0.038 0.000 0.779 425 S HN 0.793 nan 8.310 nan 0.000 0.526 426 G N 0.240 109.078 108.800 0.062 0.000 2.825 426 G HA2 -0.232 3.729 3.960 0.001 0.000 0.684 426 G HA3 -0.232 3.729 3.960 0.001 0.000 0.684 426 G C 0.024 174.926 174.900 0.003 0.000 1.528 426 G CA -0.911 44.218 45.100 0.048 0.000 0.963 426 G HN 0.834 nan 8.290 nan 0.000 0.577 427 C N 0.163 119.453 119.300 -0.016 0.000 3.004 427 C HA 0.209 4.669 4.460 0.001 0.000 0.267 427 C C 1.887 176.783 174.990 -0.157 0.000 1.211 427 C CA 1.827 60.785 59.018 -0.102 0.000 2.485 427 C CB -2.075 25.551 27.740 -0.190 0.000 1.539 427 C HN 2.730 nan 8.230 nan 0.000 0.462 428 G N 0.060 108.776 108.800 -0.140 0.000 4.286 428 G HA2 0.100 4.061 3.960 0.001 0.000 0.204 428 G HA3 0.100 4.061 3.960 0.001 0.000 0.204 428 G C 0.821 175.549 174.900 -0.287 0.000 1.218 428 G CA 0.363 45.347 45.100 -0.194 0.000 1.010 428 G HN 0.416 nan 8.290 nan 0.000 0.384 429 K N 2.327 122.544 120.400 -0.304 0.000 1.972 429 K HA -0.091 4.230 4.320 0.001 0.000 0.227 429 K C 2.746 179.244 176.600 -0.169 0.000 1.046 429 K CA 2.420 58.512 56.287 -0.326 0.000 1.013 429 K CB -0.989 31.422 32.500 -0.149 0.000 0.741 429 K HN 0.462 nan 8.250 nan 0.000 0.446 430 S N 0.221 115.875 115.700 -0.077 0.000 2.444 430 S HA -0.248 4.223 4.470 0.001 0.000 0.244 430 S C 1.942 176.533 174.600 -0.014 0.000 1.025 430 S CA 1.999 60.189 58.200 -0.016 0.000 0.995 430 S CB -1.252 61.968 63.200 0.033 0.000 0.781 430 S HN 0.353 nan 8.310 nan 0.000 0.496 431 T N 2.416 116.937 114.554 -0.054 0.000 2.737 431 T HA -0.094 4.257 4.350 0.001 0.000 0.265 431 T C 2.342 176.966 174.700 -0.127 0.000 1.038 431 T CA 1.951 64.014 62.100 -0.061 0.000 1.144 431 T CB -1.059 67.764 68.868 -0.075 0.000 0.866 431 T HN 0.898 nan 8.240 nan 0.000 0.434 432 T N 1.235 115.715 114.554 -0.122 0.000 2.701 432 T HA -0.079 4.272 4.350 0.001 0.000 0.263 432 T C 2.084 176.811 174.700 0.046 0.000 1.040 432 T CA 1.126 63.197 62.100 -0.048 0.000 1.147 432 T CB -1.124 67.832 68.868 0.148 0.000 0.865 432 T HN 0.171 nan 8.240 nan 0.000 0.426 433 V N 2.136 122.081 119.914 0.050 0.000 2.277 433 V HA -0.286 3.835 4.120 0.001 0.000 0.253 433 V C 2.926 179.047 176.094 0.045 0.000 1.067 433 V CA 2.356 64.696 62.300 0.067 0.000 1.047 433 V CB -1.178 30.663 31.823 0.030 0.000 0.649 433 V HN 0.450 nan 8.190 nan 0.000 0.447 434 Q N 0.479 120.283 119.800 0.006 0.000 1.857 434 Q HA -0.197 4.144 4.340 0.001 0.000 0.237 434 Q C 1.965 177.946 176.000 -0.032 0.000 1.004 434 Q CA 2.332 58.138 55.803 0.005 0.000 0.881 434 Q CB -0.781 27.947 28.738 -0.016 0.000 0.946 434 Q HN 0.712 nan 8.270 nan 0.000 0.421 435 L N -0.352 120.777 121.223 -0.157 0.000 2.661 435 L HA -0.111 4.230 4.340 0.001 0.000 0.236 435 L C 2.014 178.801 176.870 -0.137 0.000 1.176 435 L CA 0.615 55.333 54.840 -0.203 0.000 0.836 435 L CB -0.810 40.998 42.059 -0.419 0.000 0.960 435 L HN 0.293 nan 8.230 nan 0.000 0.455 436 M N 0.358 119.932 119.600 -0.043 0.000 2.619 436 M HA -0.058 4.423 4.480 0.001 0.000 0.251 436 M C 1.412 177.738 176.300 0.043 0.000 1.106 436 M CA 1.511 56.843 55.300 0.054 0.000 1.086 436 M CB -0.342 32.365 32.600 0.179 0.000 1.465 436 M HN 0.305 nan 8.290 nan 0.000 0.506 437 Q N -1.113 118.700 119.800 0.022 0.000 2.155 437 Q HA 0.280 4.621 4.340 0.001 0.000 0.220 437 Q C 0.361 176.368 176.000 0.012 0.000 0.819 437 Q CA -0.320 55.498 55.803 0.026 0.000 1.032 437 Q CB 0.568 29.324 28.738 0.029 0.000 1.151 437 Q HN 0.221 nan 8.270 nan 0.000 0.487 438 R N 0.344 120.841 120.500 -0.006 0.000 4.010 438 R HA -0.245 4.095 4.340 0.001 0.000 0.409 438 R C 1.061 177.355 176.300 -0.009 0.000 1.120 438 R CA 0.457 56.549 56.100 -0.014 0.000 1.244 438 R CB -1.460 28.843 30.300 0.005 0.000 1.799 438 R HN 0.425 nan 8.270 nan 0.000 0.559 439 L N 0.090 121.317 121.223 0.007 0.000 2.091 439 L HA -0.273 4.067 4.340 0.001 0.000 0.246 439 L C 0.697 177.551 176.870 -0.026 0.000 1.105 439 L CA 2.314 57.155 54.840 0.002 0.000 0.840 439 L CB -1.129 41.023 42.059 0.155 0.000 0.938 439 L HN 0.171 nan 8.230 nan 0.000 0.443 440 Y N 0.296 120.532 120.300 -0.107 0.000 2.316 440 Y HA 0.216 4.766 4.550 0.001 0.000 0.331 440 Y C 0.405 176.244 175.900 -0.100 0.000 1.083 440 Y CA -1.165 56.903 58.100 -0.054 0.000 1.206 440 Y CB 0.138 38.613 38.460 0.026 0.000 1.195 440 Y HN 0.280 nan 8.280 nan 0.000 0.497 441 D N 5.054 125.532 120.400 0.129 0.000 2.399 441 D HA 0.108 4.749 4.640 0.001 0.000 0.241 441 D C -2.380 173.992 176.300 0.120 0.000 1.133 441 D CA -1.242 52.804 54.000 0.076 0.000 0.890 441 D CB 0.590 41.438 40.800 0.080 0.000 1.201 441 D HN 0.215 nan 8.370 nan 0.000 0.432 442 P HA -0.025 nan 4.420 nan 0.000 0.268 442 P C 0.736 178.172 177.300 0.226 0.000 1.204 442 P CA -0.102 63.057 63.100 0.099 0.000 0.768 442 P CB 1.033 32.731 31.700 -0.004 0.000 0.842 443 L N 1.373 122.819 121.223 0.373 0.000 2.093 443 L HA -0.049 4.292 4.340 0.001 0.000 0.208 443 L C 0.641 177.588 176.870 0.129 0.000 1.085 443 L CA 1.840 56.811 54.840 0.218 0.000 0.755 443 L CB -0.018 42.135 42.059 0.156 0.000 0.904 443 L HN 0.474 nan 8.230 nan 0.000 0.435 444 D N -2.689 117.796 120.400 0.142 0.000 2.615 444 D HA 0.491 5.131 4.640 0.001 0.000 0.267 444 D C -0.237 176.122 176.300 0.098 0.000 1.236 444 D CA 0.501 54.544 54.000 0.072 0.000 0.839 444 D CB 1.558 42.346 40.800 -0.019 0.000 1.380 444 D HN 0.320 nan 8.370 nan 0.000 0.433 445 G N -0.037 108.797 108.800 0.056 0.000 2.697 445 G HA2 0.141 4.101 3.960 0.001 0.000 0.240 445 G HA3 0.141 4.101 3.960 0.001 0.000 0.240 445 G C -0.092 174.837 174.900 0.048 0.000 1.346 445 G CA 0.559 45.705 45.100 0.076 0.000 0.887 445 G HN 1.146 nan 8.290 nan 0.000 0.569 446 M N -3.246 116.375 119.600 0.036 0.000 3.331 446 M HA 0.831 5.311 4.480 0.001 0.000 0.281 446 M C -1.167 175.122 176.300 -0.019 0.000 1.338 446 M CA -0.973 54.330 55.300 0.004 0.000 0.827 446 M CB 1.974 34.587 32.600 0.021 0.000 1.674 446 M HN 1.928 nan 8.290 nan 0.000 0.477 447 V N 0.725 120.622 119.914 -0.029 0.000 2.668 447 V HA 0.692 4.813 4.120 0.001 0.000 0.304 447 V C -1.664 174.462 176.094 0.054 0.000 1.071 447 V CA -0.017 62.278 62.300 -0.008 0.000 0.894 447 V CB 2.096 33.795 31.823 -0.207 0.000 1.008 447 V HN 0.962 nan 8.190 nan 0.000 0.425 448 S N 6.866 122.632 115.700 0.109 0.000 2.498 448 S HA 0.615 5.085 4.470 0.001 0.000 0.324 448 S C -0.611 174.047 174.600 0.097 0.000 1.071 448 S CA -0.520 57.731 58.200 0.085 0.000 1.113 448 S CB 0.819 64.061 63.200 0.069 0.000 0.976 448 S HN 0.904 nan 8.310 nan 0.000 0.462 449 I N 5.105 125.719 120.570 0.074 0.000 2.532 449 I HA 0.374 4.545 4.170 0.001 0.000 0.292 449 I C 0.847 176.985 176.117 0.034 0.000 1.014 449 I CA 0.895 62.235 61.300 0.067 0.000 1.340 449 I CB 0.742 38.778 38.000 0.059 0.000 1.422 449 I HN 0.977 nan 8.210 nan 0.000 0.528 450 D N 3.917 124.334 120.400 0.028 0.000 3.685 450 D HA -0.257 4.384 4.640 0.001 0.000 0.152 450 D C 0.836 177.145 176.300 0.015 0.000 0.966 450 D CA 2.097 56.103 54.000 0.011 0.000 1.085 450 D CB -1.238 39.557 40.800 -0.007 0.000 0.521 450 D HN 0.811 nan 8.370 nan 0.000 0.543 451 G N -0.392 108.411 108.800 0.006 0.000 3.228 451 G HA2 0.294 4.254 3.960 0.001 0.000 0.245 451 G HA3 0.294 4.254 3.960 0.001 0.000 0.245 451 G C 0.255 175.164 174.900 0.016 0.000 1.051 451 G CA 0.275 45.384 45.100 0.014 0.000 0.809 451 G HN 0.402 nan 8.290 nan 0.000 0.531 452 Q N 0.508 120.310 119.800 0.003 0.000 2.221 452 Q HA 0.272 4.613 4.340 0.001 0.000 0.242 452 Q C -1.052 174.962 176.000 0.024 0.000 0.940 452 Q CA -0.726 55.083 55.803 0.010 0.000 0.896 452 Q CB 1.620 30.337 28.738 -0.034 0.000 1.226 452 Q HN 0.072 nan 8.270 nan 0.000 0.463 453 D N 1.682 122.105 120.400 0.039 0.000 2.343 453 D HA -0.012 4.629 4.640 0.001 0.000 0.255 453 D C 0.847 177.167 176.300 0.034 0.000 1.187 453 D CA 0.072 54.095 54.000 0.039 0.000 0.875 453 D CB 0.863 41.687 40.800 0.040 0.000 1.136 453 D HN 0.669 nan 8.370 nan 0.000 0.469 454 I N 4.504 125.091 120.570 0.029 0.000 2.182 454 I HA -0.363 3.808 4.170 0.001 0.000 0.248 454 I C 1.850 177.983 176.117 0.027 0.000 1.073 454 I CA 1.479 62.793 61.300 0.024 0.000 1.335 454 I CB 0.170 38.180 38.000 0.017 0.000 1.031 454 I HN 0.410 nan 8.210 nan 0.000 0.420 455 R N -0.216 120.300 120.500 0.027 0.000 2.328 455 R HA -0.089 4.252 4.340 0.001 0.000 0.207 455 R C 1.888 178.218 176.300 0.049 0.000 1.056 455 R CA 1.491 57.612 56.100 0.034 0.000 1.016 455 R CB -0.367 29.951 30.300 0.029 0.000 0.872 455 R HN 0.610 nan 8.270 nan 0.000 0.471 456 T N -1.903 112.687 114.554 0.060 0.000 3.014 456 T HA 0.169 4.519 4.350 0.001 0.000 0.250 456 T C 0.978 175.756 174.700 0.130 0.000 1.060 456 T CA -0.382 61.775 62.100 0.095 0.000 1.040 456 T CB -0.100 68.846 68.868 0.130 0.000 0.971 456 T HN 0.202 nan 8.240 nan 0.000 0.497 457 I N 0.241 120.851 120.570 0.067 0.000 2.499 457 I HA 0.418 4.589 4.170 0.001 0.000 0.296 457 I C 0.241 176.377 176.117 0.031 0.000 0.992 457 I CA -1.082 60.228 61.300 0.017 0.000 1.297 457 I CB 0.637 38.586 38.000 -0.085 0.000 1.410 457 I HN 0.050 nan 8.210 nan 0.000 0.507 458 N N 2.944 121.653 118.700 0.015 0.000 2.353 458 N HA -0.024 4.717 4.740 0.001 0.000 0.248 458 N C 0.891 176.438 175.510 0.063 0.000 1.240 458 N CA -0.215 52.858 53.050 0.037 0.000 0.862 458 N CB 1.101 39.618 38.487 0.050 0.000 1.086 458 N HN 0.582 nan 8.380 nan 0.000 0.453 459 V N 4.310 124.251 119.914 0.045 0.000 2.244 459 V HA -0.210 3.910 4.120 0.001 0.000 0.244 459 V C 2.494 178.622 176.094 0.057 0.000 1.042 459 V CA 1.814 64.143 62.300 0.048 0.000 1.006 459 V CB -0.790 31.054 31.823 0.036 0.000 0.641 459 V HN 0.772 nan 8.190 nan 0.000 0.446 460 R N -0.716 119.807 120.500 0.040 0.000 2.132 460 R HA -0.291 4.050 4.340 0.001 0.000 0.233 460 R C 2.380 178.719 176.300 0.065 0.000 1.125 460 R CA 2.610 58.727 56.100 0.028 0.000 0.914 460 R CB -0.870 29.432 30.300 0.003 0.000 0.845 460 R HN 0.468 nan 8.270 nan 0.000 0.431 461 Y N 1.028 121.310 120.300 -0.029 0.000 2.172 461 Y HA -0.339 4.212 4.550 0.001 0.000 0.280 461 Y C 1.993 177.880 175.900 -0.022 0.000 1.209 461 Y CA 2.149 60.234 58.100 -0.026 0.000 1.171 461 Y CB -0.543 37.903 38.460 -0.025 0.000 0.965 461 Y HN 0.326 nan 8.280 nan 0.000 0.520 462 L N 0.443 121.800 121.223 0.224 0.000 1.925 462 L HA -0.201 4.139 4.340 0.001 0.000 0.215 462 L C 2.405 179.319 176.870 0.073 0.000 1.082 462 L CA 1.839 56.764 54.840 0.142 0.000 0.764 462 L CB -0.950 41.161 42.059 0.087 0.000 0.887 462 L HN 0.013 nan 8.230 nan 0.000 0.432 463 R N 0.427 120.954 120.500 0.045 0.000 2.178 463 R HA -0.250 4.090 4.340 0.001 0.000 0.257 463 R C 2.083 178.380 176.300 -0.006 0.000 1.163 463 R CA 2.124 58.235 56.100 0.018 0.000 0.981 463 R CB -1.189 29.117 30.300 0.011 0.000 0.878 463 R HN 0.667 nan 8.270 nan 0.000 0.454 464 E N -0.073 120.108 120.200 -0.033 0.000 2.072 464 E HA -0.040 4.311 4.350 0.001 0.000 0.190 464 E C 1.633 178.191 176.600 -0.069 0.000 0.982 464 E CA 0.476 56.829 56.400 -0.078 0.000 0.803 464 E CB 0.010 29.616 29.700 -0.156 0.000 0.755 464 E HN 0.168 nan 8.360 nan 0.000 0.453 465 I N 1.058 121.600 120.570 -0.047 0.000 3.444 465 I HA -0.019 4.152 4.170 0.001 0.000 0.287 465 I C 0.234 176.359 176.117 0.014 0.000 1.302 465 I CA 0.602 61.895 61.300 -0.011 0.000 1.368 465 I CB -0.495 37.547 38.000 0.069 0.000 1.048 465 I HN 0.005 nan 8.210 nan 0.000 0.487 466 I N 0.515 121.092 120.570 0.011 0.000 2.495 466 I HA 0.333 4.503 4.170 0.001 0.000 0.277 466 I C 0.698 176.822 176.117 0.011 0.000 1.045 466 I CA -0.247 61.065 61.300 0.020 0.000 1.135 466 I CB 1.401 39.421 38.000 0.033 0.000 1.241 466 I HN -0.063 nan 8.210 nan 0.000 0.469 467 G N 5.465 114.269 108.800 0.007 0.000 2.355 467 G HA2 0.572 4.532 3.960 0.001 0.000 0.276 467 G HA3 0.572 4.532 3.960 0.001 0.000 0.276 467 G C -0.564 174.344 174.900 0.014 0.000 1.198 467 G CA -0.149 44.954 45.100 0.006 0.000 0.876 467 G HN 0.309 nan 8.290 nan 0.000 0.478 468 V N 2.020 121.944 119.914 0.015 0.000 3.040 468 V HA 0.659 4.780 4.120 0.001 0.000 0.312 468 V C -0.551 175.554 176.094 0.018 0.000 1.115 468 V CA -0.711 61.600 62.300 0.019 0.000 0.998 468 V CB 2.404 34.240 31.823 0.022 0.000 1.042 468 V HN 0.556 nan 8.190 nan 0.000 0.433 469 V N 2.058 121.984 119.914 0.019 0.000 2.610 469 V HA 0.509 4.630 4.120 0.001 0.000 0.298 469 V C 0.037 176.142 176.094 0.019 0.000 1.067 469 V CA -0.297 62.015 62.300 0.019 0.000 0.894 469 V CB 1.862 33.699 31.823 0.024 0.000 1.015 469 V HN 1.064 nan 8.190 nan 0.000 0.432 470 S N 3.984 119.693 115.700 0.015 0.000 2.647 470 S HA 0.372 4.842 4.470 0.001 0.000 0.284 470 S C 1.114 175.726 174.600 0.021 0.000 1.134 470 S CA -0.129 58.084 58.200 0.021 0.000 1.027 470 S CB 1.173 64.387 63.200 0.024 0.000 1.180 470 S HN 0.714 nan 8.310 nan 0.000 0.521 471 Q N 0.589 120.406 119.800 0.030 0.000 2.016 471 Q HA -0.059 4.282 4.340 0.001 0.000 0.200 471 Q C 0.451 176.462 176.000 0.019 0.000 0.978 471 Q CA 1.518 57.339 55.803 0.031 0.000 0.833 471 Q CB -1.240 27.525 28.738 0.045 0.000 0.895 471 Q HN 0.761 nan 8.270 nan 0.000 0.427 472 E N 4.517 124.725 120.200 0.014 0.000 2.238 472 E HA 0.081 4.431 4.350 0.001 0.000 0.264 472 E C -2.105 174.481 176.600 -0.024 0.000 1.136 472 E CA -1.930 54.466 56.400 -0.006 0.000 0.929 472 E CB 0.681 30.374 29.700 -0.012 0.000 1.010 472 E HN 0.215 nan 8.360 nan 0.000 0.440 473 P HA 0.018 nan 4.420 nan 0.000 0.238 473 P C -0.395 176.885 177.300 -0.033 0.000 1.794 473 P CA -0.287 62.806 63.100 -0.012 0.000 1.088 473 P CB 0.452 32.152 31.700 -0.001 0.000 1.923 474 V N 5.515 125.390 119.914 -0.064 0.000 2.572 474 V HA 0.147 4.268 4.120 0.001 0.000 0.291 474 V C -0.227 175.810 176.094 -0.096 0.000 1.039 474 V CA 0.091 62.315 62.300 -0.127 0.000 1.055 474 V CB 0.038 31.731 31.823 -0.218 0.000 0.969 474 V HN 0.268 nan 8.190 nan 0.000 0.482 475 L N 6.743 127.891 121.223 -0.125 0.000 2.354 475 L HA 0.603 4.944 4.340 0.001 0.000 0.269 475 L C -0.845 175.957 176.870 -0.113 0.000 1.005 475 L CA -0.577 54.253 54.840 -0.016 0.000 0.819 475 L CB 2.046 44.121 42.059 0.026 0.000 1.311 475 L HN 0.495 nan 8.230 nan 0.000 0.423 476 F N 0.339 120.335 119.950 0.077 0.000 2.377 476 F HA 0.396 4.924 4.527 0.001 0.000 0.328 476 F C 0.963 176.784 175.800 0.034 0.000 1.094 476 F CA -0.555 57.506 58.000 0.101 0.000 1.093 476 F CB 1.239 40.383 39.000 0.240 0.000 1.214 476 F HN 0.477 nan 8.300 nan 0.000 0.518 477 A N 2.155 125.095 122.820 0.200 0.000 3.065 477 A HA 0.418 4.739 4.320 0.001 0.000 0.262 477 A C -0.055 177.587 177.584 0.096 0.000 1.901 477 A CA 0.420 52.520 52.037 0.106 0.000 1.475 477 A CB -1.583 17.464 19.000 0.078 0.000 0.984 477 A HN 0.755 nan 8.150 nan 0.000 0.618 478 T N -1.014 113.585 114.554 0.074 0.000 2.618 478 T HA 0.531 4.882 4.350 0.001 0.000 0.293 478 T C 0.199 174.899 174.700 0.001 0.000 1.093 478 T CA -0.069 62.040 62.100 0.015 0.000 1.061 478 T CB 0.722 69.556 68.868 -0.057 0.000 1.498 478 T HN 0.536 nan 8.240 nan 0.000 0.494 479 T N 0.079 114.621 114.554 -0.020 0.000 2.904 479 T HA 0.400 4.751 4.350 0.001 0.000 0.290 479 T C 1.537 176.250 174.700 0.021 0.000 1.018 479 T CA -0.830 61.277 62.100 0.012 0.000 1.075 479 T CB 0.204 69.084 68.868 0.020 0.000 0.986 479 T HN 0.371 nan 8.240 nan 0.000 0.523 480 I N 1.896 122.520 120.570 0.090 0.000 2.069 480 I HA -0.240 3.931 4.170 0.001 0.000 0.237 480 I C 3.067 179.231 176.117 0.079 0.000 1.053 480 I CA 2.107 63.484 61.300 0.128 0.000 1.311 480 I CB -2.189 35.957 38.000 0.245 0.000 1.030 480 I HN 0.927 nan 8.210 nan 0.000 0.398 481 A N 0.359 123.240 122.820 0.101 0.000 1.954 481 A HA -0.284 4.037 4.320 0.001 0.000 0.222 481 A C 2.210 179.760 177.584 -0.056 0.000 1.199 481 A CA 2.137 54.175 52.037 0.002 0.000 0.657 481 A CB -0.585 18.428 19.000 0.021 0.000 0.823 481 A HN 0.495 nan 8.150 nan 0.000 0.463 482 E N -0.107 120.041 120.200 -0.086 0.000 1.998 482 E HA -0.151 4.200 4.350 0.001 0.000 0.195 482 E C 1.916 178.339 176.600 -0.295 0.000 0.994 482 E CA 0.965 57.231 56.400 -0.223 0.000 0.835 482 E CB -0.725 28.789 29.700 -0.311 0.000 0.786 482 E HN 0.639 nan 8.360 nan 0.000 0.467 483 N N 1.136 119.670 118.700 -0.276 0.000 2.225 483 N HA -0.242 4.499 4.740 0.001 0.000 0.198 483 N C 1.905 177.406 175.510 -0.015 0.000 0.959 483 N CA 1.592 54.569 53.050 -0.122 0.000 0.915 483 N CB -0.574 37.950 38.487 0.061 0.000 1.072 483 N HN 0.167 nan 8.380 nan 0.000 0.620 484 I N 1.085 121.650 120.570 -0.009 0.000 2.069 484 I HA -0.248 3.923 4.170 0.001 0.000 0.237 484 I C 2.539 178.657 176.117 0.000 0.000 1.053 484 I CA 1.119 62.421 61.300 0.004 0.000 1.311 484 I CB -1.226 36.758 38.000 -0.028 0.000 1.030 484 I HN 0.131 nan 8.210 nan 0.000 0.398 485 R N 0.281 120.763 120.500 -0.031 0.000 2.159 485 R HA -0.253 4.088 4.340 0.001 0.000 0.249 485 R C 2.484 178.835 176.300 0.085 0.000 1.136 485 R CA 2.013 58.112 56.100 -0.002 0.000 0.951 485 R CB -0.962 29.327 30.300 -0.018 0.000 0.876 485 R HN 0.435 nan 8.270 nan 0.000 0.440 486 Y N -1.210 119.023 120.300 -0.113 0.000 2.102 486 Y HA -0.295 4.255 4.550 0.001 0.000 0.280 486 Y C 2.414 178.222 175.900 -0.153 0.000 1.178 486 Y CA 0.497 58.483 58.100 -0.191 0.000 1.146 486 Y CB -0.581 37.718 38.460 -0.269 0.000 0.968 486 Y HN 0.431 nan 8.280 nan 0.000 0.504 487 G N -0.163 108.689 108.800 0.088 0.000 2.507 487 G HA2 -0.254 3.707 3.960 0.001 0.000 0.221 487 G HA3 -0.254 3.707 3.960 0.001 0.000 0.221 487 G C 0.673 175.559 174.900 -0.023 0.000 1.119 487 G CA 0.624 45.738 45.100 0.022 0.000 0.751 487 G HN 0.248 nan 8.290 nan 0.000 0.574 488 R N -0.701 119.786 120.500 -0.021 0.000 2.585 488 R HA 0.245 4.585 4.340 0.001 0.000 0.288 488 R C 0.329 176.605 176.300 -0.040 0.000 1.194 488 R CA -0.437 55.635 56.100 -0.046 0.000 1.006 488 R CB 0.977 31.247 30.300 -0.050 0.000 1.229 488 R HN 0.082 nan 8.270 nan 0.000 0.412 489 E N 1.319 121.486 120.200 -0.054 0.000 1.969 489 E HA -0.242 4.109 4.350 0.001 0.000 0.222 489 E C -0.324 176.253 176.600 -0.039 0.000 0.996 489 E CA 2.307 58.680 56.400 -0.045 0.000 0.886 489 E CB -0.158 29.504 29.700 -0.063 0.000 0.810 489 E HN 0.746 nan 8.360 nan 0.000 0.545 490 D N 0.336 120.709 120.400 -0.045 0.000 2.450 490 D HA 0.285 4.926 4.640 0.001 0.000 0.247 490 D C -0.451 175.820 176.300 -0.048 0.000 1.162 490 D CA -0.124 53.850 54.000 -0.043 0.000 0.879 490 D CB 1.162 41.936 40.800 -0.043 0.000 1.163 490 D HN 0.122 nan 8.370 nan 0.000 0.472 491 V N 1.545 121.429 119.914 -0.050 0.000 2.848 491 V HA 0.233 4.354 4.120 0.001 0.000 0.252 491 V C -1.188 174.866 176.094 -0.067 0.000 1.760 491 V CA -0.583 61.681 62.300 -0.060 0.000 0.901 491 V CB 1.697 33.482 31.823 -0.065 0.000 1.324 491 V HN 0.819 nan 8.190 nan 0.000 0.464 492 T N 7.437 121.947 114.554 -0.074 0.000 2.875 492 T HA 0.404 4.755 4.350 0.001 0.000 0.284 492 T C 1.319 175.948 174.700 -0.117 0.000 0.995 492 T CA 0.206 62.259 62.100 -0.079 0.000 1.060 492 T CB 1.412 70.242 68.868 -0.063 0.000 0.967 492 T HN 1.127 nan 8.240 nan 0.000 0.476 493 M N 1.476 120.998 119.600 -0.130 0.000 2.327 493 M HA -0.151 4.330 4.480 0.001 0.000 0.258 493 M C 1.168 177.337 176.300 -0.218 0.000 1.079 493 M CA 1.646 56.817 55.300 -0.215 0.000 1.056 493 M CB -0.848 31.657 32.600 -0.159 0.000 1.387 493 M HN 0.411 nan 8.290 nan 0.000 0.423 494 D N 1.229 121.548 120.400 -0.135 0.000 2.095 494 D HA -0.156 4.485 4.640 0.001 0.000 0.192 494 D C 1.950 178.166 176.300 -0.140 0.000 0.990 494 D CA 2.100 56.030 54.000 -0.116 0.000 0.836 494 D CB -0.323 40.430 40.800 -0.079 0.000 0.979 494 D HN 0.545 nan 8.370 nan 0.000 0.447 495 E N 0.873 121.002 120.200 -0.119 0.000 2.065 495 E HA -0.179 4.172 4.350 0.001 0.000 0.201 495 E C 2.311 178.824 176.600 -0.146 0.000 1.016 495 E CA 0.793 57.125 56.400 -0.113 0.000 0.818 495 E CB -0.357 29.289 29.700 -0.091 0.000 0.749 495 E HN 0.383 nan 8.360 nan 0.000 0.453 496 I N 0.864 121.322 120.570 -0.187 0.000 2.194 496 I HA -0.340 3.831 4.170 0.001 0.000 0.246 496 I C 2.587 178.528 176.117 -0.293 0.000 1.093 496 I CA 1.498 62.653 61.300 -0.242 0.000 1.355 496 I CB -0.421 37.376 38.000 -0.340 0.000 1.046 496 I HN 0.199 nan 8.210 nan 0.000 0.413 497 E N 1.478 121.474 120.200 -0.340 0.000 2.049 497 E HA -0.298 4.053 4.350 0.001 0.000 0.198 497 E C 2.323 178.787 176.600 -0.227 0.000 1.007 497 E CA 1.569 57.796 56.400 -0.288 0.000 0.809 497 E CB -0.012 29.553 29.700 -0.225 0.000 0.749 497 E HN 0.269 nan 8.360 nan 0.000 0.450 498 K N 0.269 120.557 120.400 -0.187 0.000 2.002 498 K HA -0.168 4.152 4.320 0.001 0.000 0.209 498 K C 2.094 178.632 176.600 -0.103 0.000 1.048 498 K CA 1.113 57.311 56.287 -0.148 0.000 0.930 498 K CB -0.357 32.076 32.500 -0.112 0.000 0.714 498 K HN 0.173 nan 8.250 nan 0.000 0.438 499 A N 1.423 124.189 122.820 -0.090 0.000 1.870 499 A HA -0.250 4.071 4.320 0.001 0.000 0.219 499 A C 2.365 179.935 177.584 -0.023 0.000 1.224 499 A CA 3.265 55.270 52.037 -0.053 0.000 0.650 499 A CB -1.454 17.512 19.000 -0.057 0.000 0.836 499 A HN 0.324 nan 8.150 nan 0.000 0.454 500 V N -1.563 118.346 119.914 -0.010 0.000 2.255 500 V HA -0.323 3.798 4.120 0.001 0.000 0.247 500 V C 2.295 178.413 176.094 0.040 0.000 1.051 500 V CA 2.767 65.099 62.300 0.054 0.000 1.018 500 V CB -1.244 30.677 31.823 0.164 0.000 0.641 500 V HN 0.610 nan 8.190 nan 0.000 0.445 501 K N 0.394 120.797 120.400 0.004 0.000 2.089 501 K HA -0.330 3.991 4.320 0.001 0.000 0.210 501 K C 2.366 178.962 176.600 -0.007 0.000 1.048 501 K CA 2.453 58.728 56.287 -0.020 0.000 0.926 501 K CB -0.247 32.147 32.500 -0.177 0.000 0.714 501 K HN 0.795 nan 8.250 nan 0.000 0.448 502 E N -0.376 119.813 120.200 -0.019 0.000 2.046 502 E HA -0.094 4.257 4.350 0.001 0.000 0.190 502 E C 1.057 177.665 176.600 0.013 0.000 0.982 502 E CA 0.851 57.246 56.400 -0.008 0.000 0.800 502 E CB -0.092 29.599 29.700 -0.017 0.000 0.756 502 E HN 0.383 nan 8.360 nan 0.000 0.449 503 A N 2.326 125.160 122.820 0.023 0.000 2.281 503 A HA -0.056 4.264 4.320 0.001 0.000 0.231 503 A C -0.050 177.567 177.584 0.055 0.000 1.317 503 A CA 0.378 52.442 52.037 0.045 0.000 0.959 503 A CB -1.094 17.941 19.000 0.059 0.000 0.900 503 A HN 0.548 nan 8.150 nan 0.000 0.497 504 N N -1.541 117.181 118.700 0.037 0.000 2.717 504 N HA -0.207 4.534 4.740 0.001 0.000 0.298 504 N C 0.183 175.693 175.510 0.001 0.000 1.128 504 N CA 1.004 54.073 53.050 0.031 0.000 0.778 504 N CB -1.211 37.303 38.487 0.045 0.000 0.972 504 N HN 0.894 nan 8.380 nan 0.000 0.573 505 A N 0.861 123.617 122.820 -0.106 0.000 2.733 505 A HA 0.050 4.371 4.320 0.001 0.000 0.232 505 A C 0.808 178.001 177.584 -0.653 0.000 1.251 505 A CA -0.089 51.632 52.037 -0.526 0.000 1.015 505 A CB -0.318 18.530 19.000 -0.253 0.000 1.291 505 A HN 0.488 nan 8.150 nan 0.000 0.595 506 Y N 2.478 122.578 120.300 -0.334 0.000 2.716 506 Y HA -0.102 4.449 4.550 0.001 0.000 0.302 506 Y C 1.468 177.192 175.900 -0.294 0.000 1.160 506 Y CA 1.422 59.384 58.100 -0.231 0.000 1.362 506 Y CB -0.278 38.141 38.460 -0.067 0.000 0.988 506 Y HN 0.665 nan 8.280 nan 0.000 0.546 507 D N -1.399 118.756 120.400 -0.407 0.000 2.584 507 D HA -0.134 4.506 4.640 0.001 0.000 0.254 507 D C 1.864 177.982 176.300 -0.305 0.000 1.085 507 D CA 0.904 54.701 54.000 -0.338 0.000 0.971 507 D CB -1.468 39.242 40.800 -0.151 0.000 1.103 507 D HN 0.191 nan 8.370 nan 0.000 0.453 508 F N 1.817 121.714 119.950 -0.087 0.000 2.202 508 F HA -0.063 4.464 4.527 0.001 0.000 0.301 508 F C 1.983 177.713 175.800 -0.116 0.000 1.082 508 F CA 0.549 58.499 58.000 -0.082 0.000 1.313 508 F CB -1.355 37.623 39.000 -0.037 0.000 1.024 508 F HN 0.130 nan 8.300 nan 0.000 0.495 509 I N -1.847 118.589 120.570 -0.223 0.000 2.226 509 I HA -0.206 3.964 4.170 0.001 0.000 0.245 509 I C 2.195 178.127 176.117 -0.308 0.000 1.100 509 I CA 1.407 62.613 61.300 -0.156 0.000 1.374 509 I CB -1.003 36.797 38.000 -0.332 0.000 1.057 509 I HN 0.069 nan 8.210 nan 0.000 0.413 510 M N 1.199 120.526 119.600 -0.455 0.000 2.066 510 M HA -0.158 4.322 4.480 0.001 0.000 0.259 510 M C 2.368 178.518 176.300 -0.249 0.000 1.074 510 M CA 1.835 56.868 55.300 -0.445 0.000 1.114 510 M CB -1.259 31.005 32.600 -0.561 0.000 1.306 510 M HN 0.300 nan 8.290 nan 0.000 0.411 511 K N 0.843 121.137 120.400 -0.176 0.000 2.442 511 K HA -0.078 4.243 4.320 0.001 0.000 0.199 511 K C 0.095 176.653 176.600 -0.070 0.000 1.044 511 K CA 0.441 56.668 56.287 -0.101 0.000 0.941 511 K CB -0.529 31.938 32.500 -0.054 0.000 0.759 511 K HN 0.112 nan 8.250 nan 0.000 0.472 512 L N 2.695 123.884 121.223 -0.056 0.000 2.281 512 L HA 0.313 4.654 4.340 0.001 0.000 0.285 512 L C -2.325 174.502 176.870 -0.071 0.000 1.074 512 L CA -2.469 52.359 54.840 -0.020 0.000 0.817 512 L CB 0.472 42.567 42.059 0.060 0.000 1.168 512 L HN 0.020 nan 8.230 nan 0.000 0.434 513 P HA -0.064 nan 4.420 nan 0.000 0.267 513 P C -0.346 176.820 177.300 -0.223 0.000 1.195 513 P CA 0.520 63.452 63.100 -0.280 0.000 0.773 513 P CB 0.215 31.663 31.700 -0.419 0.000 0.837 514 H N -1.652 117.402 119.070 -0.026 0.000 3.641 514 H HA -0.187 4.370 4.556 0.001 0.000 0.193 514 H C 1.119 176.436 175.328 -0.018 0.000 1.013 514 H CA 1.337 57.379 56.048 -0.011 0.000 1.212 514 H CB -1.633 28.132 29.762 0.006 0.000 1.089 514 H HN 0.503 nan 8.280 nan 0.000 0.339 515 Q N -2.072 117.726 119.800 -0.003 0.000 1.362 515 Q HA -0.243 4.097 4.340 0.001 0.000 0.377 515 Q C 1.329 177.292 176.000 -0.062 0.000 0.972 515 Q CA 1.892 57.623 55.803 -0.120 0.000 0.658 515 Q CB -1.861 26.822 28.738 -0.091 0.000 4.537 515 Q HN 0.343 nan 8.270 nan 0.000 0.581 516 F N 1.162 121.151 119.950 0.065 0.000 2.333 516 F HA -0.087 4.441 4.527 0.001 0.000 0.300 516 F C 1.553 177.387 175.800 0.058 0.000 1.083 516 F CA 1.611 59.650 58.000 0.065 0.000 1.395 516 F CB -0.013 39.022 39.000 0.059 0.000 1.056 516 F HN 0.252 nan 8.300 nan 0.000 0.529 517 D N 0.165 120.699 120.400 0.223 0.000 2.870 517 D HA 0.040 4.681 4.640 0.001 0.000 0.241 517 D C 0.051 176.412 176.300 0.101 0.000 1.234 517 D CA 0.326 54.408 54.000 0.137 0.000 0.844 517 D CB -0.307 40.557 40.800 0.107 0.000 1.051 517 D HN 0.065 nan 8.370 nan 0.000 0.469 518 T N 2.636 117.265 114.554 0.126 0.000 2.771 518 T HA 0.216 4.567 4.350 0.001 0.000 0.291 518 T C 0.835 175.567 174.700 0.053 0.000 0.954 518 T CA -0.826 61.339 62.100 0.107 0.000 1.045 518 T CB 1.323 70.282 68.868 0.153 0.000 0.917 518 T HN 0.063 nan 8.240 nan 0.000 0.484 519 L N 1.969 123.186 121.223 -0.009 0.000 2.470 519 L HA 0.611 4.951 4.340 0.001 0.000 0.243 519 L C -0.137 176.744 176.870 0.019 0.000 1.227 519 L CA -0.637 54.199 54.840 -0.006 0.000 0.824 519 L CB -0.550 41.484 42.059 -0.041 0.000 1.175 519 L HN 0.293 nan 8.230 nan 0.000 0.503 520 V N 0.591 120.517 119.914 0.019 0.000 2.313 520 V HA 0.303 4.424 4.120 0.001 0.000 0.262 520 V C 1.091 177.191 176.094 0.011 0.000 1.011 520 V CA -0.388 61.924 62.300 0.020 0.000 0.858 520 V CB 0.244 32.085 31.823 0.029 0.000 1.104 520 V HN 1.071 nan 8.190 nan 0.000 0.456 521 G N 3.282 112.085 108.800 0.005 0.000 2.859 521 G HA2 -0.114 3.847 3.960 0.001 0.000 0.327 521 G HA3 -0.114 3.847 3.960 0.001 0.000 0.327 521 G C 0.375 175.275 174.900 -0.000 0.000 0.283 521 G CA 0.521 45.621 45.100 0.001 0.000 1.236 521 G HN 0.792 nan 8.290 nan 0.000 0.291 522 E N 0.465 120.667 120.200 0.003 0.000 3.301 522 E HA -0.230 4.121 4.350 0.001 0.000 0.171 522 E C 0.973 177.569 176.600 -0.007 0.000 2.011 522 E CA 1.401 57.801 56.400 0.001 0.000 0.763 522 E CB -0.456 29.243 29.700 -0.002 0.000 1.050 522 E HN 1.037 nan 8.360 nan 0.000 0.342 523 R N -0.766 119.730 120.500 -0.007 0.000 4.138 523 R HA -0.158 4.183 4.340 0.001 0.000 0.337 523 R C 0.295 176.578 176.300 -0.028 0.000 0.241 523 R CA 1.243 57.324 56.100 -0.031 0.000 1.108 523 R CB -1.342 28.933 30.300 -0.041 0.000 1.161 523 R HN 0.700 nan 8.270 nan 0.000 0.478 524 G N 0.436 109.207 108.800 -0.049 0.000 3.741 524 G HA2 0.521 4.482 3.960 0.001 0.000 0.263 524 G HA3 0.521 4.482 3.960 0.001 0.000 0.263 524 G C -0.133 174.748 174.900 -0.033 0.000 1.175 524 G CA 0.534 45.611 45.100 -0.038 0.000 1.642 524 G HN 0.691 nan 8.290 nan 0.000 0.644 525 A N 0.784 123.589 122.820 -0.025 0.000 2.842 525 A HA 0.686 5.007 4.320 0.001 0.000 0.339 525 A C 0.104 177.676 177.584 -0.019 0.000 1.177 525 A CA -0.529 51.494 52.037 -0.023 0.000 0.797 525 A CB 0.567 19.555 19.000 -0.020 0.000 1.094 525 A HN 0.471 nan 8.150 nan 0.000 0.474 526 Q N 1.050 120.835 119.800 -0.025 0.000 1.656 526 Q HA 0.254 4.595 4.340 0.001 0.000 0.159 526 Q C -0.963 175.014 176.000 -0.038 0.000 0.744 526 Q CA 0.237 56.027 55.803 -0.021 0.000 0.767 526 Q CB 0.274 29.007 28.738 -0.008 0.000 1.205 526 Q HN 0.944 nan 8.270 nan 0.000 0.368 527 L N -1.923 119.266 121.223 -0.058 0.000 2.710 527 L HA 0.721 5.062 4.340 0.001 0.000 0.260 527 L C -0.346 176.461 176.870 -0.105 0.000 0.993 527 L CA -1.036 53.745 54.840 -0.098 0.000 0.877 527 L CB 1.305 43.278 42.059 -0.143 0.000 1.461 527 L HN 0.049 nan 8.230 nan 0.000 0.413 528 S N -0.159 115.463 115.700 -0.130 0.000 2.558 528 S HA 0.199 4.670 4.470 0.001 0.000 0.288 528 S C 1.271 175.810 174.600 -0.102 0.000 1.318 528 S CA 0.073 58.209 58.200 -0.106 0.000 1.056 528 S CB 1.055 64.188 63.200 -0.110 0.000 0.853 528 S HN 1.097 nan 8.310 nan 0.000 0.505 529 G N 2.276 111.037 108.800 -0.064 0.000 2.442 529 G HA2 -0.056 3.905 3.960 0.001 0.000 0.219 529 G HA3 -0.056 3.905 3.960 0.001 0.000 0.219 529 G C 1.348 176.220 174.900 -0.046 0.000 1.141 529 G CA 0.588 45.661 45.100 -0.046 0.000 0.763 529 G HN 1.021 nan 8.290 nan 0.000 0.554 530 G N 0.353 109.122 108.800 -0.051 0.000 2.446 530 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 530 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 530 G C 1.798 176.665 174.900 -0.055 0.000 1.168 530 G CA 1.200 46.279 45.100 -0.035 0.000 0.771 530 G HN 0.525 nan 8.290 nan 0.000 0.551 531 Q N 0.289 119.987 119.800 -0.171 0.000 2.020 531 Q HA -0.086 4.255 4.340 0.001 0.000 0.202 531 Q C 2.607 178.526 176.000 -0.133 0.000 0.982 531 Q CA 1.404 57.004 55.803 -0.338 0.000 0.838 531 Q CB -0.194 28.088 28.738 -0.760 0.000 0.899 531 Q HN 0.458 nan 8.270 nan 0.000 0.423 532 K N 0.739 121.076 120.400 -0.104 0.000 1.975 532 K HA -0.309 4.012 4.320 0.001 0.000 0.225 532 K C 2.134 178.749 176.600 0.025 0.000 1.050 532 K CA 1.814 58.085 56.287 -0.026 0.000 0.992 532 K CB -0.419 32.062 32.500 -0.032 0.000 0.738 532 K HN 0.030 nan 8.250 nan 0.000 0.446 533 Q N 1.360 121.170 119.800 0.017 0.000 2.124 533 Q HA -0.291 4.049 4.340 0.001 0.000 0.215 533 Q C 2.033 178.073 176.000 0.067 0.000 1.015 533 Q CA 2.259 58.083 55.803 0.036 0.000 0.890 533 Q CB -0.382 28.373 28.738 0.028 0.000 0.966 533 Q HN 0.287 nan 8.270 nan 0.000 0.412 534 R N -0.688 119.865 120.500 0.088 0.000 2.132 534 R HA -0.202 4.138 4.340 0.001 0.000 0.233 534 R C 2.186 178.584 176.300 0.163 0.000 1.125 534 R CA 2.280 58.468 56.100 0.147 0.000 0.914 534 R CB -0.619 29.827 30.300 0.245 0.000 0.845 534 R HN 0.425 nan 8.270 nan 0.000 0.431 535 I N 0.988 121.682 120.570 0.205 0.000 2.121 535 I HA -0.364 3.807 4.170 0.001 0.000 0.243 535 I C 2.586 178.780 176.117 0.129 0.000 1.047 535 I CA 1.917 63.334 61.300 0.194 0.000 1.308 535 I CB -1.812 36.298 38.000 0.183 0.000 1.015 535 I HN 0.433 nan 8.210 nan 0.000 0.410 536 A N 1.425 124.307 122.820 0.104 0.000 1.884 536 A HA -0.236 4.085 4.320 0.001 0.000 0.219 536 A C 2.248 179.875 177.584 0.072 0.000 1.197 536 A CA 2.011 54.098 52.037 0.084 0.000 0.637 536 A CB -0.776 18.262 19.000 0.064 0.000 0.827 536 A HN 0.341 nan 8.150 nan 0.000 0.450 537 I N 0.053 120.665 120.570 0.071 0.000 2.091 537 I HA -0.383 3.787 4.170 0.001 0.000 0.240 537 I C 2.971 179.121 176.117 0.055 0.000 1.046 537 I CA 1.886 63.222 61.300 0.059 0.000 1.306 537 I CB -1.914 36.127 38.000 0.067 0.000 1.018 537 I HN 0.413 nan 8.210 nan 0.000 0.404 538 A N 0.600 123.463 122.820 0.071 0.000 1.859 538 A HA -0.298 4.023 4.320 0.001 0.000 0.217 538 A C 2.510 180.118 177.584 0.041 0.000 1.198 538 A CA 2.400 54.471 52.037 0.057 0.000 0.629 538 A CB -0.851 18.197 19.000 0.081 0.000 0.830 538 A HN 0.440 nan 8.150 nan 0.000 0.446 539 R N -0.607 119.927 120.500 0.057 0.000 2.292 539 R HA -0.209 4.132 4.340 0.001 0.000 0.216 539 R C 2.310 178.628 176.300 0.030 0.000 1.071 539 R CA 2.288 58.418 56.100 0.050 0.000 0.838 539 R CB -0.814 29.533 30.300 0.079 0.000 0.800 539 R HN 0.439 nan 8.270 nan 0.000 0.434 540 A N 1.501 124.341 122.820 0.033 0.000 2.009 540 A HA -0.231 4.090 4.320 0.001 0.000 0.222 540 A C 2.188 179.776 177.584 0.007 0.000 1.175 540 A CA 1.774 53.822 52.037 0.018 0.000 0.651 540 A CB -0.906 18.107 19.000 0.021 0.000 0.815 540 A HN 0.528 nan 8.150 nan 0.000 0.459 541 L N 0.266 121.496 121.223 0.012 0.000 1.955 541 L HA -0.159 4.182 4.340 0.001 0.000 0.213 541 L C 2.459 179.322 176.870 -0.011 0.000 1.072 541 L CA 2.618 57.459 54.840 0.003 0.000 0.755 541 L CB -1.261 40.804 42.059 0.009 0.000 0.888 541 L HN 0.291 nan 8.230 nan 0.000 0.432 542 V N 0.335 120.240 119.914 -0.015 0.000 2.636 542 V HA -0.277 3.844 4.120 0.001 0.000 0.258 542 V C 2.692 178.765 176.094 -0.034 0.000 1.092 542 V CA 1.764 64.046 62.300 -0.030 0.000 1.110 542 V CB -1.003 30.799 31.823 -0.035 0.000 0.685 542 V HN 0.440 nan 8.190 nan 0.000 0.481 543 R N 1.773 122.257 120.500 -0.027 0.000 2.115 543 R HA -0.074 4.267 4.340 0.001 0.000 0.226 543 R C 1.018 177.293 176.300 -0.041 0.000 1.100 543 R CA 0.916 56.994 56.100 -0.037 0.000 0.980 543 R CB -0.594 29.689 30.300 -0.028 0.000 0.875 543 R HN 0.876 nan 8.270 nan 0.000 0.445 544 N N -0.590 118.092 118.700 -0.030 0.000 2.629 544 N HA -0.149 4.592 4.740 0.001 0.000 0.278 544 N C -2.281 173.211 175.510 -0.030 0.000 1.102 544 N CA 0.778 53.812 53.050 -0.028 0.000 0.759 544 N CB -1.223 37.244 38.487 -0.032 0.000 0.911 544 N HN 0.257 nan 8.380 nan 0.000 0.553 545 P HA 0.138 nan 4.420 nan 0.000 0.341 545 P C 0.413 177.707 177.300 -0.010 0.000 1.407 545 P CA 0.367 63.456 63.100 -0.019 0.000 0.837 545 P CB 0.490 32.185 31.700 -0.008 0.000 2.024 546 K N -2.284 118.117 120.400 0.001 0.000 2.611 546 K HA 0.306 4.626 4.320 0.001 0.000 0.209 546 K C -0.015 176.590 176.600 0.008 0.000 1.658 546 K CA 0.303 56.593 56.287 0.005 0.000 1.080 546 K CB 0.809 33.317 32.500 0.014 0.000 1.430 546 K HN 0.270 nan 8.250 nan 0.000 0.596 547 I N 2.486 123.063 120.570 0.012 0.000 2.410 547 I HA 0.387 4.558 4.170 0.001 0.000 0.286 547 I C -0.593 175.532 176.117 0.014 0.000 1.009 547 I CA -0.794 60.515 61.300 0.016 0.000 1.111 547 I CB 1.578 39.596 38.000 0.029 0.000 1.262 547 I HN -0.048 nan 8.210 nan 0.000 0.443 548 L N 7.117 128.345 121.223 0.010 0.000 2.341 548 L HA 0.612 4.953 4.340 0.001 0.000 0.278 548 L C -1.535 175.343 176.870 0.012 0.000 1.005 548 L CA -0.756 54.090 54.840 0.011 0.000 0.818 548 L CB 1.869 43.933 42.059 0.007 0.000 1.259 548 L HN 0.347 nan 8.230 nan 0.000 0.418 549 L N 5.698 126.931 121.223 0.017 0.000 2.362 549 L HA 0.510 4.851 4.340 0.001 0.000 0.275 549 L C -1.027 175.853 176.870 0.017 0.000 0.998 549 L CA -0.275 54.576 54.840 0.019 0.000 0.820 549 L CB 1.771 43.847 42.059 0.029 0.000 1.270 549 L HN 0.395 nan 8.230 nan 0.000 0.415 550 L N 2.844 124.074 121.223 0.012 0.000 2.318 550 L HA 0.417 4.758 4.340 0.001 0.000 0.277 550 L C -0.141 176.733 176.870 0.007 0.000 1.008 550 L CA -0.196 54.651 54.840 0.011 0.000 0.846 550 L CB 1.198 43.263 42.059 0.010 0.000 1.220 550 L HN 0.394 nan 8.230 nan 0.000 0.423 551 D N 4.359 124.766 120.400 0.012 0.000 2.522 551 D HA 0.119 4.760 4.640 0.001 0.000 0.218 551 D C 0.086 176.389 176.300 0.004 0.000 1.149 551 D CA -0.168 53.837 54.000 0.008 0.000 0.981 551 D CB 0.073 40.889 40.800 0.026 0.000 1.041 551 D HN 0.617 nan 8.370 nan 0.000 0.518 552 E N 0.891 121.080 120.200 -0.018 0.000 2.238 552 E HA -0.313 4.038 4.350 0.001 0.000 0.219 552 E C 0.997 177.607 176.600 0.017 0.000 1.275 552 E CA 0.359 56.750 56.400 -0.015 0.000 0.714 552 E CB -1.381 28.308 29.700 -0.019 0.000 1.154 552 E HN 0.505 nan 8.360 nan 0.000 0.363 553 A N 0.707 123.537 122.820 0.017 0.000 1.849 553 A HA -0.310 4.011 4.320 0.001 0.000 0.217 553 A C 2.338 179.939 177.584 0.029 0.000 1.202 553 A CA 2.426 54.477 52.037 0.024 0.000 0.629 553 A CB -0.947 18.067 19.000 0.023 0.000 0.834 553 A HN 0.528 nan 8.150 nan 0.000 0.447 554 T N 0.124 114.696 114.554 0.029 0.000 2.685 554 T HA -0.129 4.221 4.350 0.001 0.000 0.268 554 T C 1.133 175.857 174.700 0.039 0.000 1.034 554 T CA 1.513 63.633 62.100 0.033 0.000 1.149 554 T CB -0.808 68.080 68.868 0.033 0.000 0.860 554 T HN 0.458 nan 8.240 nan 0.000 0.449 555 S N 0.827 116.557 115.700 0.049 0.000 2.536 555 S HA 0.295 4.766 4.470 0.001 0.000 0.290 555 S C 0.662 175.293 174.600 0.052 0.000 1.302 555 S CA 0.345 58.586 58.200 0.067 0.000 1.037 555 S CB -0.311 62.945 63.200 0.094 0.000 0.804 555 S HN 1.357 nan 8.310 nan 0.000 0.506 556 A N 0.694 123.545 122.820 0.052 0.000 2.183 556 A HA -0.036 4.285 4.320 0.001 0.000 0.278 556 A C -0.386 177.212 177.584 0.025 0.000 1.404 556 A CA 0.472 52.531 52.037 0.036 0.000 0.737 556 A CB -1.704 17.318 19.000 0.037 0.000 1.172 556 A HN 1.231 nan 8.150 nan 0.000 0.338 557 L N 1.028 122.264 121.223 0.022 0.000 2.781 557 L HA 0.560 4.901 4.340 0.001 0.000 0.256 557 L C -0.216 176.662 176.870 0.014 0.000 0.930 557 L CA 0.249 55.097 54.840 0.014 0.000 0.967 557 L CB 1.355 43.424 42.059 0.016 0.000 1.551 557 L HN 0.870 nan 8.230 nan 0.000 0.445 558 D N 0.851 121.256 120.400 0.008 0.000 2.406 558 D HA 0.112 4.752 4.640 0.001 0.000 0.234 558 D C 1.192 177.500 176.300 0.013 0.000 1.196 558 D CA 0.610 54.615 54.000 0.008 0.000 0.881 558 D CB 0.690 41.492 40.800 0.004 0.000 1.205 558 D HN 0.828 nan 8.370 nan 0.000 0.453 559 T N -1.347 113.215 114.554 0.013 0.000 2.607 559 T HA -0.322 4.029 4.350 0.001 0.000 0.267 559 T C 1.555 176.265 174.700 0.016 0.000 1.049 559 T CA 1.323 63.432 62.100 0.015 0.000 1.162 559 T CB -0.641 68.235 68.868 0.013 0.000 0.863 559 T HN 0.511 nan 8.240 nan 0.000 0.424 560 E N 1.730 121.939 120.200 0.015 0.000 2.026 560 E HA -0.230 4.120 4.350 0.001 0.000 0.206 560 E C 2.710 179.322 176.600 0.021 0.000 1.028 560 E CA 2.206 58.616 56.400 0.017 0.000 0.845 560 E CB -0.736 28.973 29.700 0.015 0.000 0.772 560 E HN 0.778 nan 8.360 nan 0.000 0.462 561 S N 0.747 116.458 115.700 0.018 0.000 2.369 561 S HA -0.308 4.163 4.470 0.001 0.000 0.225 561 S C 2.018 176.634 174.600 0.027 0.000 1.043 561 S CA 2.000 60.213 58.200 0.022 0.000 1.074 561 S CB -0.828 62.378 63.200 0.011 0.000 0.962 561 S HN 0.433 nan 8.310 nan 0.000 0.433 562 E N 1.863 122.077 120.200 0.024 0.000 2.172 562 E HA -0.334 4.017 4.350 0.001 0.000 0.213 562 E C 2.096 178.713 176.600 0.028 0.000 1.051 562 E CA 1.654 58.070 56.400 0.026 0.000 0.860 562 E CB -0.652 29.062 29.700 0.025 0.000 0.755 562 E HN 0.694 nan 8.360 nan 0.000 0.462 563 A N 0.181 123.016 122.820 0.026 0.000 1.832 563 A HA -0.146 4.175 4.320 0.001 0.000 0.214 563 A C 2.451 180.053 177.584 0.031 0.000 1.200 563 A CA 1.724 53.776 52.037 0.026 0.000 0.610 563 A CB -0.962 18.052 19.000 0.023 0.000 0.842 563 A HN 0.218 nan 8.150 nan 0.000 0.444 564 V N 0.006 119.942 119.914 0.036 0.000 2.317 564 V HA -0.309 3.812 4.120 0.001 0.000 0.251 564 V C 2.564 178.689 176.094 0.051 0.000 1.065 564 V CA 2.241 64.569 62.300 0.046 0.000 1.049 564 V CB -1.172 30.686 31.823 0.059 0.000 0.651 564 V HN 0.373 nan 8.190 nan 0.000 0.450 565 V N -0.629 119.315 119.914 0.050 0.000 2.220 565 V HA -0.350 3.771 4.120 0.001 0.000 0.246 565 V C 2.462 178.581 176.094 0.041 0.000 1.049 565 V CA 2.403 64.734 62.300 0.051 0.000 1.003 565 V CB -0.832 31.017 31.823 0.045 0.000 0.634 565 V HN 0.540 nan 8.190 nan 0.000 0.444 566 Q N 0.416 120.237 119.800 0.034 0.000 2.118 566 Q HA -0.284 4.057 4.340 0.001 0.000 0.211 566 Q C 2.104 178.121 176.000 0.027 0.000 0.998 566 Q CA 2.603 58.423 55.803 0.028 0.000 0.872 566 Q CB -0.888 27.864 28.738 0.024 0.000 0.925 566 Q HN 0.624 nan 8.270 nan 0.000 0.414 567 A N 0.216 123.053 122.820 0.029 0.000 1.859 567 A HA -0.242 4.079 4.320 0.001 0.000 0.218 567 A C 2.321 179.922 177.584 0.029 0.000 1.209 567 A CA 2.991 55.044 52.037 0.027 0.000 0.639 567 A CB -1.622 17.396 19.000 0.031 0.000 0.835 567 A HN 0.620 nan 8.150 nan 0.000 0.450 568 A N -0.411 122.431 122.820 0.037 0.000 1.851 568 A HA -0.125 4.196 4.320 0.001 0.000 0.216 568 A C 2.182 179.783 177.584 0.030 0.000 1.195 568 A CA 1.738 53.797 52.037 0.037 0.000 0.622 568 A CB -0.906 18.126 19.000 0.052 0.000 0.831 568 A HN 0.559 nan 8.150 nan 0.000 0.444 569 L N -0.565 120.676 121.223 0.031 0.000 2.054 569 L HA -0.349 3.992 4.340 0.001 0.000 0.220 569 L C 2.285 179.165 176.870 0.018 0.000 1.081 569 L CA 2.141 56.996 54.840 0.025 0.000 0.780 569 L CB -1.145 40.929 42.059 0.024 0.000 0.893 569 L HN 0.400 nan 8.230 nan 0.000 0.438 570 D N 0.075 120.485 120.400 0.017 0.000 2.088 570 D HA -0.176 4.465 4.640 0.001 0.000 0.191 570 D C 2.136 178.442 176.300 0.010 0.000 0.992 570 D CA 1.234 55.241 54.000 0.012 0.000 0.831 570 D CB -0.163 40.644 40.800 0.011 0.000 0.973 570 D HN 0.195 nan 8.370 nan 0.000 0.447 571 K N 0.023 120.430 120.400 0.012 0.000 2.304 571 K HA -0.163 4.158 4.320 0.001 0.000 0.204 571 K C 1.749 178.353 176.600 0.006 0.000 1.044 571 K CA 1.219 57.511 56.287 0.009 0.000 0.932 571 K CB -0.099 32.408 32.500 0.012 0.000 0.735 571 K HN 0.131 nan 8.250 nan 0.000 0.468 572 A N 0.742 123.568 122.820 0.009 0.000 2.115 572 A HA 0.054 4.374 4.320 0.001 0.000 0.211 572 A C 1.160 178.747 177.584 0.004 0.000 1.169 572 A CA 0.018 52.059 52.037 0.006 0.000 0.787 572 A CB 0.140 19.146 19.000 0.010 0.000 0.858 572 A HN 0.075 nan 8.150 nan 0.000 0.474 573 R N -0.941 119.562 120.500 0.005 0.000 3.074 573 R HA 0.164 4.505 4.340 0.001 0.000 0.193 573 R C 1.126 177.426 176.300 -0.001 0.000 0.992 573 R CA 0.404 56.505 56.100 0.002 0.000 1.177 573 R CB -0.186 30.116 30.300 0.002 0.000 0.860 573 R HN 0.320 nan 8.270 nan 0.000 0.490 574 E N -0.859 119.339 120.200 -0.002 0.000 3.315 574 E HA -0.279 4.072 4.350 0.001 0.000 0.265 574 E C 0.952 177.550 176.600 -0.004 0.000 0.818 574 E CA 1.899 58.297 56.400 -0.004 0.000 0.806 574 E CB -1.093 28.605 29.700 -0.003 0.000 1.413 574 E HN 0.802 nan 8.360 nan 0.000 0.463 575 G N -1.095 107.702 108.800 -0.004 0.000 2.833 575 G HA2 0.153 4.114 3.960 0.001 0.000 0.210 575 G HA3 0.153 4.114 3.960 0.001 0.000 0.210 575 G C 0.239 175.137 174.900 -0.005 0.000 1.139 575 G CA 0.035 45.132 45.100 -0.005 0.000 0.771 575 G HN 0.108 nan 8.290 nan 0.000 0.535 576 R N 1.199 121.696 120.500 -0.004 0.000 2.513 576 R HA 0.399 4.740 4.340 0.001 0.000 0.301 576 R C -0.269 176.028 176.300 -0.004 0.000 0.968 576 R CA -0.463 55.635 56.100 -0.003 0.000 0.872 576 R CB 1.509 31.808 30.300 -0.002 0.000 1.177 576 R HN 0.155 nan 8.270 nan 0.000 0.444 577 T N -0.262 114.288 114.554 -0.005 0.000 2.946 577 T HA 0.051 4.401 4.350 0.001 0.000 0.311 577 T C 0.268 174.962 174.700 -0.010 0.000 1.063 577 T CA 0.037 62.131 62.100 -0.011 0.000 1.139 577 T CB 1.097 69.957 68.868 -0.013 0.000 0.994 577 T HN 0.550 nan 8.240 nan 0.000 0.547 578 T N 3.374 117.919 114.554 -0.015 0.000 2.993 578 T HA 0.510 4.860 4.350 0.001 0.000 0.312 578 T C -1.099 173.589 174.700 -0.020 0.000 1.115 578 T CA -0.978 61.115 62.100 -0.012 0.000 1.027 578 T CB 1.026 69.891 68.868 -0.005 0.000 1.116 578 T HN 0.850 nan 8.240 nan 0.000 0.464 579 I N 5.073 125.632 120.570 -0.019 0.000 2.377 579 I HA 0.827 4.997 4.170 0.001 0.000 0.293 579 I C -1.178 174.935 176.117 -0.007 0.000 0.987 579 I CA -0.796 60.489 61.300 -0.025 0.000 1.185 579 I CB 1.276 39.251 38.000 -0.042 0.000 1.341 579 I HN 0.480 nan 8.210 nan 0.000 0.455 580 V N 8.905 128.816 119.914 -0.004 0.000 2.569 580 V HA 0.464 4.585 4.120 0.001 0.000 0.301 580 V C -1.192 174.902 176.094 0.000 0.000 1.044 580 V CA -0.573 61.727 62.300 -0.000 0.000 0.874 580 V CB 1.828 33.652 31.823 0.001 0.000 1.002 580 V HN 0.655 nan 8.190 nan 0.000 0.424 581 I N 7.481 128.043 120.570 -0.013 0.000 2.331 581 I HA 0.929 5.099 4.170 0.001 0.000 0.292 581 I C 0.054 176.118 176.117 -0.088 0.000 0.998 581 I CA 0.617 61.896 61.300 -0.036 0.000 1.267 581 I CB 0.911 38.883 38.000 -0.047 0.000 1.386 581 I HN 0.998 nan 8.210 nan 0.000 0.476 582 A N 5.705 128.447 122.820 -0.131 0.000 2.524 582 A HA 0.586 4.907 4.320 0.001 0.000 0.303 582 A C -0.352 177.058 177.584 -0.291 0.000 1.195 582 A CA -0.404 51.515 52.037 -0.197 0.000 0.651 582 A CB 0.733 19.703 19.000 -0.049 0.000 1.323 582 A HN 0.722 nan 8.150 nan 0.000 0.479 583 H N -0.241 118.862 119.070 0.056 0.000 3.241 583 H HA 0.179 4.736 4.556 0.001 0.000 0.260 583 H C -0.087 175.265 175.328 0.040 0.000 1.084 583 H CA -0.001 56.077 56.048 0.050 0.000 1.203 583 H CB 0.577 30.361 29.762 0.036 0.000 1.524 583 H HN 0.352 nan 8.280 nan 0.000 0.521 584 R N 2.647 123.225 120.500 0.130 0.000 2.878 584 R HA 0.043 4.384 4.340 0.001 0.000 0.239 584 R C 1.009 177.355 176.300 0.075 0.000 1.515 584 R CA -0.190 55.961 56.100 0.085 0.000 1.210 584 R CB -0.075 30.261 30.300 0.060 0.000 1.209 584 R HN 0.149 nan 8.270 nan 0.000 0.610 585 L N 0.946 122.217 121.223 0.080 0.000 2.137 585 L HA -0.271 4.070 4.340 0.001 0.000 0.213 585 L C 2.295 179.200 176.870 0.058 0.000 1.085 585 L CA 2.104 57.001 54.840 0.096 0.000 0.760 585 L CB -1.540 40.537 42.059 0.030 0.000 0.893 585 L HN 0.451 nan 8.230 nan 0.000 0.434 586 S N -0.610 115.106 115.700 0.028 0.000 2.370 586 S HA -0.186 4.285 4.470 0.001 0.000 0.226 586 S C 1.750 176.354 174.600 0.007 0.000 1.033 586 S CA 1.693 59.897 58.200 0.006 0.000 1.011 586 S CB -0.982 62.222 63.200 0.008 0.000 0.852 586 S HN 0.612 nan 8.310 nan 0.000 0.457 587 T N -1.507 113.061 114.554 0.023 0.000 3.144 587 T HA 0.363 4.713 4.350 0.001 0.000 0.249 587 T C 1.227 175.941 174.700 0.025 0.000 1.089 587 T CA 0.178 62.290 62.100 0.020 0.000 0.989 587 T CB 0.158 69.041 68.868 0.024 0.000 0.992 587 T HN 0.246 nan 8.240 nan 0.000 0.540 588 V N 0.618 120.558 119.914 0.042 0.000 3.471 588 V HA 0.227 4.348 4.120 0.001 0.000 0.258 588 V C 2.663 178.775 176.094 0.030 0.000 1.192 588 V CA 0.307 62.645 62.300 0.065 0.000 1.116 588 V CB 0.035 31.954 31.823 0.160 0.000 0.792 588 V HN 0.357 nan 8.190 nan 0.000 0.459 589 R N 3.345 123.833 120.500 -0.020 0.000 2.080 589 R HA -0.153 4.187 4.340 0.001 0.000 0.236 589 R C 1.503 177.766 176.300 -0.061 0.000 1.137 589 R CA 2.217 58.248 56.100 -0.114 0.000 0.943 589 R CB -0.936 29.273 30.300 -0.151 0.000 0.846 589 R HN 0.698 nan 8.270 nan 0.000 0.431 590 N N 0.716 119.396 118.700 -0.033 0.000 3.105 590 N HA 0.043 4.784 4.740 0.001 0.000 0.309 590 N C -1.216 174.286 175.510 -0.014 0.000 1.291 590 N CA 0.652 53.692 53.050 -0.018 0.000 1.153 590 N CB -0.005 38.476 38.487 -0.011 0.000 1.447 590 N HN 0.316 nan 8.380 nan 0.000 0.555 591 A N 0.333 123.142 122.820 -0.017 0.000 2.288 591 A HA 0.326 4.647 4.320 0.001 0.000 0.320 591 A C 0.313 177.882 177.584 -0.025 0.000 1.217 591 A CA -0.743 51.281 52.037 -0.023 0.000 0.840 591 A CB 0.794 19.773 19.000 -0.035 0.000 1.179 591 A HN 0.134 nan 8.150 nan 0.000 0.504 592 D N 0.425 120.811 120.400 -0.024 0.000 2.350 592 D HA 0.085 4.725 4.640 0.001 0.000 0.216 592 D C 0.173 176.451 176.300 -0.036 0.000 0.968 592 D CA 1.645 55.630 54.000 -0.025 0.000 0.894 592 D CB 0.369 41.155 40.800 -0.023 0.000 0.909 592 D HN 0.411 nan 8.370 nan 0.000 0.520 593 V N 0.210 120.095 119.914 -0.048 0.000 2.915 593 V HA 0.211 4.332 4.120 0.001 0.000 0.273 593 V C -1.728 174.316 176.094 -0.083 0.000 1.538 593 V CA -0.821 61.440 62.300 -0.066 0.000 0.946 593 V CB 1.354 33.141 31.823 -0.060 0.000 1.183 593 V HN -0.160 nan 8.190 nan 0.000 0.446 594 I N 5.421 125.913 120.570 -0.130 0.000 2.498 594 I HA 0.826 4.996 4.170 0.001 0.000 0.301 594 I C 0.468 176.508 176.117 -0.129 0.000 0.984 594 I CA -0.464 60.740 61.300 -0.160 0.000 1.204 594 I CB 1.985 39.768 38.000 -0.363 0.000 1.362 594 I HN 0.841 nan 8.210 nan 0.000 0.471 595 A N 3.980 126.761 122.820 -0.066 0.000 2.287 595 A HA 0.687 5.008 4.320 0.001 0.000 0.317 595 A C 0.082 177.560 177.584 -0.177 0.000 1.220 595 A CA -0.550 51.434 52.037 -0.089 0.000 0.835 595 A CB 0.924 20.019 19.000 0.158 0.000 1.180 595 A HN 0.856 nan 8.150 nan 0.000 0.500 596 G N 1.417 109.959 108.800 -0.430 0.000 2.365 596 G HA2 0.545 4.505 3.960 0.001 0.000 0.293 596 G HA3 0.545 4.505 3.960 0.001 0.000 0.293 596 G C -0.814 173.653 174.900 -0.722 0.000 1.128 596 G CA 0.078 44.954 45.100 -0.374 0.000 0.971 596 G HN 0.404 nan 8.290 nan 0.000 0.422 597 F N 0.065 120.053 119.950 0.063 0.000 2.685 597 F HA 0.540 5.067 4.527 0.001 0.000 0.315 597 F C -0.140 175.697 175.800 0.062 0.000 1.126 597 F CA -1.209 56.822 58.000 0.052 0.000 0.950 597 F CB 2.879 41.905 39.000 0.044 0.000 1.360 597 F HN 0.431 nan 8.300 nan 0.000 0.469 598 D N -0.248 120.321 120.400 0.281 0.000 4.407 598 D HA 0.394 5.034 4.640 0.001 0.000 0.224 598 D C 0.169 176.541 176.300 0.120 0.000 1.474 598 D CA 0.896 54.997 54.000 0.168 0.000 0.954 598 D CB -0.252 40.620 40.800 0.121 0.000 1.323 598 D HN 0.964 nan 8.370 nan 0.000 0.911 599 G N -0.113 108.752 108.800 0.109 0.000 2.159 599 G HA2 0.315 4.276 3.960 0.001 0.000 0.170 599 G HA3 0.315 4.276 3.960 0.001 0.000 0.170 599 G C 0.891 175.802 174.900 0.019 0.000 1.007 599 G CA 0.222 45.348 45.100 0.044 0.000 0.672 599 G HN 1.396 nan 8.290 nan 0.000 0.507 600 G N -1.919 106.920 108.800 0.065 0.000 2.427 600 G HA2 0.252 4.212 3.960 0.001 0.000 0.193 600 G HA3 0.252 4.212 3.960 0.001 0.000 0.193 600 G C 0.082 175.055 174.900 0.122 0.000 1.086 600 G CA 0.657 45.789 45.100 0.053 0.000 0.818 600 G HN 1.980 nan 8.290 nan 0.000 0.490 601 V N 1.837 121.893 119.914 0.236 0.000 2.670 601 V HA 0.535 4.655 4.120 0.001 0.000 0.258 601 V C 0.621 176.802 176.094 0.144 0.000 0.906 601 V CA -0.672 61.722 62.300 0.157 0.000 0.887 601 V CB 0.305 32.180 31.823 0.086 0.000 1.059 601 V HN 0.730 nan 8.190 nan 0.000 0.484 602 I N 5.436 126.106 120.570 0.167 0.000 2.872 602 I HA 0.194 4.365 4.170 0.001 0.000 0.291 602 I C 0.788 176.785 176.117 -0.199 0.000 1.216 602 I CA 1.537 62.726 61.300 -0.186 0.000 1.424 602 I CB 1.299 39.315 38.000 0.027 0.000 1.351 602 I HN 0.580 nan 8.210 nan 0.000 0.592 603 V N 2.738 122.460 119.914 -0.321 0.000 5.573 603 V HA 0.336 4.457 4.120 0.001 0.000 0.108 603 V C -0.001 176.008 176.094 -0.142 0.000 1.080 603 V CA -0.627 61.568 62.300 -0.175 0.000 1.086 603 V CB -0.434 31.321 31.823 -0.113 0.000 1.574 603 V HN 0.707 nan 8.190 nan 0.000 0.634 604 E N 1.996 122.115 120.200 -0.136 0.000 2.301 604 E HA 0.651 5.002 4.350 0.001 0.000 0.275 604 E C -0.658 175.858 176.600 -0.140 0.000 1.030 604 E CA -0.205 56.133 56.400 -0.104 0.000 0.852 604 E CB 1.393 31.061 29.700 -0.053 0.000 1.060 604 E HN 0.579 nan 8.360 nan 0.000 0.401 605 Q N 1.519 121.251 119.800 -0.115 0.000 2.320 605 Q HA 0.551 4.892 4.340 0.001 0.000 0.272 605 Q C -0.853 175.089 176.000 -0.097 0.000 1.023 605 Q CA -0.410 55.321 55.803 -0.119 0.000 0.855 605 Q CB 1.907 30.579 28.738 -0.109 0.000 1.367 605 Q HN 0.737 nan 8.270 nan 0.000 0.406 606 G N 2.435 111.172 108.800 -0.105 0.000 2.357 606 G HA2 -0.055 3.906 3.960 0.001 0.000 0.289 606 G HA3 -0.055 3.906 3.960 0.001 0.000 0.289 606 G C -1.494 173.347 174.900 -0.098 0.000 1.302 606 G CA -0.605 44.444 45.100 -0.085 0.000 0.936 606 G HN 0.752 nan 8.290 nan 0.000 0.513 607 N N -0.958 117.702 118.700 -0.067 0.000 2.416 607 N HA 0.206 4.947 4.740 0.001 0.000 0.246 607 N C 1.506 176.983 175.510 -0.056 0.000 1.260 607 N CA 0.994 54.017 53.050 -0.045 0.000 0.897 607 N CB 0.672 39.154 38.487 -0.010 0.000 1.110 607 N HN 0.877 nan 8.380 nan 0.000 0.439 608 H N 1.889 120.888 119.070 -0.119 0.000 2.255 608 H HA -0.216 4.341 4.556 0.001 0.000 0.290 608 H C 0.675 176.030 175.328 0.044 0.000 1.087 608 H CA 2.877 58.871 56.048 -0.089 0.000 1.213 608 H CB -0.497 29.288 29.762 0.038 0.000 1.349 608 H HN 0.811 nan 8.280 nan 0.000 0.487 609 D N 0.169 120.501 120.400 -0.113 0.000 2.126 609 D HA -0.187 4.454 4.640 0.001 0.000 0.190 609 D C 2.183 178.413 176.300 -0.118 0.000 1.001 609 D CA 1.937 55.848 54.000 -0.149 0.000 0.841 609 D CB -0.299 40.496 40.800 -0.009 0.000 0.949 609 D HN 0.668 nan 8.370 nan 0.000 0.446 610 E N -0.368 119.786 120.200 -0.077 0.000 2.130 610 E HA -0.186 4.164 4.350 0.001 0.000 0.196 610 E C 1.913 178.471 176.600 -0.069 0.000 0.998 610 E CA 0.673 57.031 56.400 -0.069 0.000 0.806 610 E CB -0.081 29.584 29.700 -0.060 0.000 0.738 610 E HN 0.216 nan 8.360 nan 0.000 0.459 611 L N 0.045 121.230 121.223 -0.063 0.000 2.179 611 L HA -0.100 4.240 4.340 0.001 0.000 0.208 611 L C 2.224 179.153 176.870 0.099 0.000 1.096 611 L CA 1.098 55.951 54.840 0.021 0.000 0.779 611 L CB -0.257 41.815 42.059 0.022 0.000 0.922 611 L HN 0.185 nan 8.230 nan 0.000 0.443 612 M N -1.258 118.377 119.600 0.058 0.000 2.132 612 M HA -0.100 4.381 4.480 0.001 0.000 0.263 612 M C 2.296 178.462 176.300 -0.223 0.000 1.065 612 M CA 1.287 56.639 55.300 0.086 0.000 1.122 612 M CB -0.967 31.641 32.600 0.013 0.000 1.365 612 M HN 0.147 nan 8.290 nan 0.000 0.411 613 R N 0.503 120.905 120.500 -0.164 0.000 2.096 613 R HA -0.147 4.194 4.340 0.001 0.000 0.235 613 R C 1.817 177.993 176.300 -0.206 0.000 1.127 613 R CA 1.200 57.190 56.100 -0.183 0.000 0.968 613 R CB -0.515 29.718 30.300 -0.111 0.000 0.861 613 R HN 0.334 nan 8.270 nan 0.000 0.440 614 E N 1.182 121.294 120.200 -0.147 0.000 2.478 614 E HA -0.085 4.266 4.350 0.001 0.000 0.198 614 E C -0.125 176.381 176.600 -0.157 0.000 1.046 614 E CA 0.385 56.717 56.400 -0.113 0.000 0.870 614 E CB -0.255 29.415 29.700 -0.049 0.000 0.818 614 E HN 0.118 nan 8.360 nan 0.000 0.527 615 K N -0.676 119.516 120.400 -0.347 0.000 3.034 615 K HA -0.262 4.059 4.320 0.001 0.000 0.255 615 K C 0.671 177.269 176.600 -0.003 0.000 0.903 615 K CA 0.374 56.308 56.287 -0.588 0.000 0.667 615 K CB -1.715 30.370 32.500 -0.691 0.000 1.335 615 K HN 0.357 nan 8.250 nan 0.000 0.479 616 G N 0.460 109.319 108.800 0.098 0.000 3.441 616 G HA2 0.318 4.278 3.960 0.001 0.000 0.195 616 G HA3 0.318 4.278 3.960 0.001 0.000 0.195 616 G C 0.954 175.954 174.900 0.166 0.000 1.633 616 G CA -0.278 44.892 45.100 0.116 0.000 0.895 616 G HN 0.040 nan 8.290 nan 0.000 0.654 617 I N -0.537 120.106 120.570 0.121 0.000 2.113 617 I HA -0.066 4.105 4.170 0.001 0.000 0.238 617 I C 2.347 178.560 176.117 0.160 0.000 1.070 617 I CA 1.126 62.494 61.300 0.114 0.000 1.332 617 I CB -0.718 37.329 38.000 0.078 0.000 1.044 617 I HN 0.418 nan 8.210 nan 0.000 0.402 618 Y N 0.801 121.145 120.300 0.073 0.000 2.036 618 Y HA -0.369 4.181 4.550 0.001 0.000 0.273 618 Y C 2.559 178.527 175.900 0.113 0.000 1.135 618 Y CA 1.621 59.774 58.100 0.087 0.000 1.106 618 Y CB -1.081 37.429 38.460 0.083 0.000 0.976 618 Y HN 0.169 nan 8.280 nan 0.000 0.483 619 F N 1.580 121.534 119.950 0.008 0.000 2.050 619 F HA -0.404 4.123 4.527 0.001 0.000 0.294 619 F C 2.572 178.302 175.800 -0.117 0.000 1.113 619 F CA 2.819 60.769 58.000 -0.083 0.000 1.225 619 F CB -0.894 38.099 39.000 -0.010 0.000 0.953 619 F HN 0.068 nan 8.300 nan 0.000 0.501 620 K N 0.770 121.132 120.400 -0.064 0.000 1.975 620 K HA -0.212 4.109 4.320 0.001 0.000 0.225 620 K C 2.157 178.629 176.600 -0.213 0.000 1.050 620 K CA 2.188 58.378 56.287 -0.162 0.000 0.992 620 K CB -1.142 31.369 32.500 0.020 0.000 0.738 620 K HN 0.351 nan 8.250 nan 0.000 0.446 621 L N 1.343 122.495 121.223 -0.119 0.000 2.064 621 L HA -0.219 4.122 4.340 0.001 0.000 0.216 621 L C 2.702 179.453 176.870 -0.199 0.000 1.077 621 L CA 1.389 56.160 54.840 -0.113 0.000 0.766 621 L CB -1.396 40.642 42.059 -0.036 0.000 0.890 621 L HN 0.096 nan 8.230 nan 0.000 0.435 622 V N -0.813 118.896 119.914 -0.342 0.000 2.407 622 V HA -0.277 3.844 4.120 0.001 0.000 0.248 622 V C 2.465 178.377 176.094 -0.302 0.000 1.055 622 V CA 1.350 63.417 62.300 -0.389 0.000 1.049 622 V CB -0.383 31.073 31.823 -0.610 0.000 0.662 622 V HN 0.380 nan 8.190 nan 0.000 0.455 623 M N -0.886 118.481 119.600 -0.388 0.000 2.595 623 M HA 0.011 4.492 4.480 0.001 0.000 0.248 623 M C 1.935 178.099 176.300 -0.227 0.000 1.119 623 M CA 0.909 55.993 55.300 -0.359 0.000 1.079 623 M CB -0.893 31.354 32.600 -0.588 0.000 1.472 623 M HN 0.343 nan 8.290 nan 0.000 0.501 624 T N 0.424 114.866 114.554 -0.186 0.000 3.014 624 T HA -0.022 4.329 4.350 0.001 0.000 0.263 624 T C 1.659 176.302 174.700 -0.096 0.000 1.078 624 T CA 0.972 63.001 62.100 -0.119 0.000 1.135 624 T CB 0.123 68.935 68.868 -0.093 0.000 0.895 624 T HN 0.488 nan 8.240 nan 0.000 0.480 625 Q N 0.364 120.103 119.800 -0.101 0.000 2.247 625 Q HA 0.261 4.602 4.340 0.001 0.000 0.211 625 Q C -0.056 175.899 176.000 -0.074 0.000 0.861 625 Q CA -0.019 55.739 55.803 -0.075 0.000 0.949 625 Q CB 0.615 29.317 28.738 -0.061 0.000 1.115 625 Q HN 0.303 nan 8.270 nan 0.000 0.507 685 D N 1.257 121.652 120.400 -0.008 0.000 2.228 685 D HA 0.639 5.279 4.640 0.001 0.000 0.247 685 D C 0.039 176.346 176.300 0.012 0.000 0.995 685 D CA -0.285 53.718 54.000 0.005 0.000 0.903 685 D CB 3.120 43.928 40.800 0.013 0.000 1.205 685 D HN 0.435 nan 8.370 nan 0.000 0.459 686 E N -0.550 119.669 120.200 0.032 0.000 3.750 686 E HA 0.149 4.500 4.350 0.001 0.000 0.201 686 E C -1.314 175.350 176.600 0.107 0.000 1.214 686 E CA -0.444 55.994 56.400 0.064 0.000 0.812 686 E CB 0.282 29.999 29.700 0.028 0.000 3.152 686 E HN 0.241 nan 8.360 nan 0.000 0.575 687 D N 0.637 121.138 120.400 0.168 0.000 5.070 687 D HA -0.090 4.551 4.640 0.001 0.000 0.239 687 D C -0.836 175.530 176.300 0.110 0.000 1.194 687 D CA 0.778 54.867 54.000 0.148 0.000 1.284 687 D CB -0.651 40.202 40.800 0.087 0.000 0.729 687 D HN 0.178 nan 8.370 nan 0.000 0.365 688 V N 0.634 120.592 119.914 0.073 0.000 2.384 688 V HA 0.458 4.579 4.120 0.001 0.000 0.287 688 V C -1.351 174.732 176.094 -0.019 0.000 1.020 688 V CA -1.456 60.856 62.300 0.020 0.000 0.850 688 V CB 1.593 33.412 31.823 -0.006 0.000 0.987 688 V HN 0.155 nan 8.190 nan 0.000 0.436 689 P HA -0.023 nan 4.420 nan 0.000 0.213 689 P C -1.771 175.518 177.300 -0.019 0.000 1.176 689 P CA 1.167 64.263 63.100 -0.007 0.000 0.919 689 P CB -1.435 30.266 31.700 0.001 0.000 0.791 690 P HA 0.054 nan 4.420 nan 0.000 0.256 690 P C 0.012 177.286 177.300 -0.044 0.000 1.189 690 P CA 0.489 63.575 63.100 -0.024 0.000 0.808 690 P CB 0.179 31.865 31.700 -0.024 0.000 0.793 691 A N 3.314 126.118 122.820 -0.026 0.000 3.702 691 A HA 0.520 4.841 4.320 0.001 0.000 0.175 691 A C 0.353 177.919 177.584 -0.030 0.000 1.741 691 A CA 0.969 52.987 52.037 -0.031 0.000 0.912 691 A CB -0.369 18.631 19.000 0.000 0.000 1.154 691 A HN 0.609 nan 8.150 nan 0.000 0.420 692 S N -1.635 114.063 115.700 -0.004 0.000 3.572 692 S HA 0.180 4.651 4.470 0.001 0.000 0.116 692 S C -0.517 174.060 174.600 -0.039 0.000 0.834 692 S CA -0.088 58.084 58.200 -0.047 0.000 0.803 692 S CB -1.686 61.483 63.200 -0.052 0.000 1.335 692 S HN 1.661 nan 8.310 nan 0.000 0.650 693 F N 1.876 121.755 119.950 -0.119 0.000 2.557 693 F HA 0.525 5.053 4.527 0.001 0.000 0.384 693 F C 1.149 176.907 175.800 -0.070 0.000 1.057 693 F CA -0.189 57.634 58.000 -0.296 0.000 1.169 693 F CB -0.633 38.024 39.000 -0.571 0.000 1.070 693 F HN 0.769 nan 8.300 nan 0.000 0.554 694 W N 1.460 122.824 121.300 0.107 0.000 1.854 694 W HA -0.418 4.242 4.660 0.001 0.000 0.240 694 W C 2.312 178.774 176.519 -0.095 0.000 0.968 694 W CA 0.759 58.123 57.345 0.031 0.000 0.439 694 W CB -0.990 28.517 29.460 0.079 0.000 1.972 694 W HN 0.666 nan 8.180 nan 0.000 1.436 695 R N 1.969 122.465 120.500 -0.006 0.000 2.091 695 R HA -0.179 4.162 4.340 0.001 0.000 0.238 695 R C 2.158 178.465 176.300 0.010 0.000 1.136 695 R CA 2.379 58.438 56.100 -0.068 0.000 0.959 695 R CB -0.554 29.648 30.300 -0.163 0.000 0.856 695 R HN 0.570 nan 8.270 nan 0.000 0.437 696 I N -0.222 120.373 120.570 0.042 0.000 2.493 696 I HA -0.156 4.015 4.170 0.001 0.000 0.254 696 I C 1.980 178.127 176.117 0.051 0.000 1.160 696 I CA 0.905 62.224 61.300 0.033 0.000 1.445 696 I CB -0.536 37.469 38.000 0.009 0.000 1.086 696 I HN 0.155 nan 8.210 nan 0.000 0.433 697 L N 0.530 121.819 121.223 0.109 0.000 2.179 697 L HA 0.074 4.415 4.340 0.001 0.000 0.208 697 L C 2.163 179.058 176.870 0.041 0.000 1.096 697 L CA 1.266 56.150 54.840 0.074 0.000 0.779 697 L CB -1.080 41.039 42.059 0.101 0.000 0.922 697 L HN 0.057 nan 8.230 nan 0.000 0.443 698 K N 0.280 120.712 120.400 0.054 0.000 2.044 698 K HA 0.125 4.446 4.320 0.001 0.000 0.204 698 K C 2.069 178.698 176.600 0.048 0.000 1.049 698 K CA 1.366 57.680 56.287 0.045 0.000 0.945 698 K CB -0.318 32.202 32.500 0.034 0.000 0.724 698 K HN 0.316 nan 8.250 nan 0.000 0.440 699 L N 1.331 122.576 121.223 0.036 0.000 2.465 699 L HA -0.094 4.247 4.340 0.001 0.000 0.224 699 L C 2.012 178.912 176.870 0.051 0.000 1.145 699 L CA 0.333 55.195 54.840 0.037 0.000 0.834 699 L CB -0.463 41.608 42.059 0.020 0.000 0.944 699 L HN 0.233 nan 8.230 nan 0.000 0.451 700 N N 0.191 118.917 118.700 0.043 0.000 2.022 700 N HA -0.173 4.568 4.740 0.001 0.000 0.194 700 N C 1.961 177.524 175.510 0.089 0.000 1.057 700 N CA 1.926 54.992 53.050 0.027 0.000 0.849 700 N CB -0.080 38.391 38.487 -0.026 0.000 1.044 700 N HN 0.023 nan 8.380 nan 0.000 0.424 701 S N -0.670 115.098 115.700 0.114 0.000 2.372 701 S HA -0.195 4.275 4.470 0.001 0.000 0.227 701 S C 1.925 176.695 174.600 0.284 0.000 1.044 701 S CA 1.836 60.214 58.200 0.296 0.000 1.050 701 S CB -0.980 62.369 63.200 0.248 0.000 0.901 701 S HN 0.513 nan 8.310 nan 0.000 0.447 702 T N 1.862 116.509 114.554 0.155 0.000 2.607 702 T HA -0.143 4.208 4.350 0.001 0.000 0.267 702 T C 1.091 175.864 174.700 0.121 0.000 1.049 702 T CA 1.416 63.579 62.100 0.105 0.000 1.162 702 T CB -0.499 68.406 68.868 0.062 0.000 0.863 702 T HN 0.366 nan 8.240 nan 0.000 0.424 703 E N 0.385 120.664 120.200 0.131 0.000 2.888 703 E HA 0.202 4.553 4.350 0.001 0.000 0.271 703 E C -0.894 175.858 176.600 0.254 0.000 1.527 703 E CA -0.061 56.421 56.400 0.136 0.000 1.700 703 E CB -0.438 29.325 29.700 0.106 0.000 1.410 703 E HN 0.473 nan 8.360 nan 0.000 0.445 704 W N 0.766 122.049 121.300 -0.029 0.000 4.020 704 W HA 0.246 4.906 4.660 0.001 0.000 0.293 704 W C -2.432 174.026 176.519 -0.102 0.000 1.236 704 W CA -1.764 55.544 57.345 -0.062 0.000 1.265 704 W CB 1.064 30.519 29.460 -0.007 0.000 1.248 704 W HN -0.086 nan 8.180 nan 0.000 0.501 705 P HA 0.039 nan 4.420 nan 0.000 0.215 705 P C -0.802 175.948 177.300 -0.916 0.000 1.160 705 P CA 1.741 64.456 63.100 -0.641 0.000 0.869 705 P CB 1.149 32.417 31.700 -0.719 0.000 0.782 706 Y N -4.557 114.738 120.300 -1.675 0.000 2.823 706 Y HA 0.552 5.103 4.550 0.001 0.000 0.377 706 Y C -1.671 173.456 175.900 -1.288 0.000 1.158 706 Y CA -1.859 55.194 58.100 -1.746 0.000 1.269 706 Y CB -0.423 37.560 38.460 -0.794 0.000 1.444 706 Y HN -0.118 nan 8.280 nan 0.000 0.497 707 F N 2.354 122.300 119.950 -0.006 0.000 2.860 707 F HA 0.106 4.634 4.527 0.001 0.000 0.435 707 F C 0.647 176.769 175.800 0.536 0.000 1.174 707 F CA -0.410 57.859 58.000 0.450 0.000 1.126 707 F CB 0.727 40.090 39.000 0.605 0.000 2.569 707 F HN 0.675 nan 8.300 nan 0.000 0.495 708 V N 0.458 120.724 119.914 0.586 0.000 2.287 708 V HA -0.223 3.898 4.120 0.001 0.000 0.248 708 V C 1.959 178.310 176.094 0.429 0.000 1.053 708 V CA 2.794 65.364 62.300 0.450 0.000 1.027 708 V CB -0.009 32.000 31.823 0.310 0.000 0.646 708 V HN 0.464 nan 8.190 nan 0.000 0.447 709 V N 1.169 121.305 119.914 0.371 0.000 2.313 709 V HA -0.267 3.854 4.120 0.001 0.000 0.253 709 V C 2.343 178.583 176.094 0.243 0.000 1.070 709 V CA 2.968 65.414 62.300 0.244 0.000 1.057 709 V CB -1.288 30.635 31.823 0.167 0.000 0.653 709 V HN 0.690 nan 8.190 nan 0.000 0.450 710 G N -0.603 108.347 108.800 0.250 0.000 2.575 710 G HA2 -0.292 3.668 3.960 0.001 0.000 0.215 710 G HA3 -0.292 3.668 3.960 0.001 0.000 0.215 710 G C 1.619 176.662 174.900 0.238 0.000 1.262 710 G CA 0.986 46.202 45.100 0.193 0.000 0.807 710 G HN 0.586 nan 8.290 nan 0.000 0.567 711 I N -0.709 120.021 120.570 0.266 0.000 2.229 711 I HA -0.264 3.907 4.170 0.001 0.000 0.250 711 I C 2.390 178.622 176.117 0.193 0.000 1.096 711 I CA 1.566 62.980 61.300 0.191 0.000 1.358 711 I CB -0.131 37.972 38.000 0.172 0.000 1.047 711 I HN 0.189 nan 8.210 nan 0.000 0.422 712 F N 2.006 122.030 119.950 0.123 0.000 1.997 712 F HA -0.337 4.191 4.527 0.001 0.000 0.296 712 F C 2.970 178.830 175.800 0.100 0.000 1.160 712 F CA 2.257 60.320 58.000 0.105 0.000 1.176 712 F CB -1.034 38.027 39.000 0.102 0.000 0.964 712 F HN 0.479 nan 8.300 nan 0.000 0.484 713 C N 0.622 120.184 119.300 0.438 0.000 2.398 713 C HA -0.127 4.334 4.460 0.001 0.000 0.282 713 C C 2.800 177.903 174.990 0.187 0.000 1.275 713 C CA 0.449 59.640 59.018 0.288 0.000 1.797 713 C CB -2.246 25.606 27.740 0.186 0.000 1.991 713 C HN 0.557 nan 8.230 nan 0.000 0.505 714 A N 2.031 124.937 122.820 0.144 0.000 1.835 714 A HA -0.012 4.309 4.320 0.001 0.000 0.215 714 A C 2.161 179.922 177.584 0.295 0.000 1.199 714 A CA 1.977 54.071 52.037 0.094 0.000 0.615 714 A CB -0.783 18.277 19.000 0.100 0.000 0.838 714 A HN 0.637 nan 8.150 nan 0.000 0.444 715 I N 0.332 121.011 120.570 0.182 0.000 2.074 715 I HA -0.374 3.797 4.170 0.001 0.000 0.238 715 I C 2.498 178.697 176.117 0.137 0.000 1.037 715 I CA 2.304 63.661 61.300 0.094 0.000 1.301 715 I CB -0.823 37.115 38.000 -0.102 0.000 1.016 715 I HN 0.626 nan 8.210 nan 0.000 0.400 716 I N -0.019 120.639 120.570 0.147 0.000 2.236 716 I HA -0.319 3.852 4.170 0.001 0.000 0.249 716 I C 2.241 178.500 176.117 0.237 0.000 1.102 716 I CA 1.935 63.348 61.300 0.189 0.000 1.365 716 I CB -1.065 37.093 38.000 0.263 0.000 1.051 716 I HN 0.308 nan 8.210 nan 0.000 0.420 717 N N 1.772 120.650 118.700 0.297 0.000 2.069 717 N HA -0.155 4.586 4.740 0.001 0.000 0.191 717 N C 2.000 177.806 175.510 0.493 0.000 1.031 717 N CA 2.098 55.380 53.050 0.387 0.000 0.852 717 N CB -0.715 37.920 38.487 0.248 0.000 1.018 717 N HN 0.588 nan 8.380 nan 0.000 0.423 718 G N -0.100 109.002 108.800 0.505 0.000 2.480 718 G HA2 -0.232 3.729 3.960 0.001 0.000 0.216 718 G HA3 -0.232 3.729 3.960 0.001 0.000 0.216 718 G C 1.587 176.527 174.900 0.065 0.000 1.200 718 G CA 1.297 46.454 45.100 0.095 0.000 0.782 718 G HN 0.485 nan 8.290 nan 0.000 0.554 719 G N 0.630 109.467 108.800 0.061 0.000 2.507 719 G HA2 -0.232 3.729 3.960 0.001 0.000 0.221 719 G HA3 -0.232 3.729 3.960 0.001 0.000 0.221 719 G C 1.757 176.730 174.900 0.121 0.000 1.119 719 G CA 1.192 46.320 45.100 0.048 0.000 0.751 719 G HN 0.414 nan 8.290 nan 0.000 0.574 720 L N 0.156 121.495 121.223 0.194 0.000 2.046 720 L HA -0.019 4.322 4.340 0.001 0.000 0.208 720 L C 2.818 179.857 176.870 0.281 0.000 1.077 720 L CA 2.481 57.468 54.840 0.246 0.000 0.747 720 L CB -0.664 41.568 42.059 0.287 0.000 0.896 720 L HN 0.343 nan 8.230 nan 0.000 0.432 721 Q N -0.095 119.865 119.800 0.268 0.000 1.967 721 Q HA -0.117 4.224 4.340 0.001 0.000 0.202 721 Q C -0.505 175.696 176.000 0.336 0.000 0.985 721 Q CA 2.221 58.204 55.803 0.301 0.000 0.839 721 Q CB -1.425 27.462 28.738 0.249 0.000 0.906 721 Q HN 0.235 nan 8.270 nan 0.000 0.423 722 P HA -0.172 nan 4.420 nan 0.000 0.218 722 P C 0.518 178.031 177.300 0.356 0.000 1.146 722 P CA 1.941 65.189 63.100 0.247 0.000 0.813 722 P CB -0.315 31.160 31.700 -0.375 0.000 0.778 723 A N -0.627 122.353 122.820 0.267 0.000 1.849 723 A HA -0.260 4.061 4.320 0.001 0.000 0.217 723 A C 2.104 179.884 177.584 0.327 0.000 1.202 723 A CA 1.845 54.038 52.037 0.261 0.000 0.629 723 A CB -1.912 17.229 19.000 0.233 0.000 0.834 723 A HN 0.171 nan 8.150 nan 0.000 0.447 724 F N 1.534 121.630 119.950 0.243 0.000 2.115 724 F HA -0.270 4.258 4.527 0.001 0.000 0.300 724 F C 2.585 178.568 175.800 0.305 0.000 1.092 724 F CA 1.979 60.136 58.000 0.261 0.000 1.245 724 F CB -0.357 38.792 39.000 0.248 0.000 0.995 724 F HN 0.230 nan 8.300 nan 0.000 0.481 725 S N 0.065 116.066 115.700 0.502 0.000 2.378 725 S HA -0.242 4.229 4.470 0.001 0.000 0.221 725 S C 2.088 176.853 174.600 0.274 0.000 1.037 725 S CA 1.679 60.106 58.200 0.379 0.000 1.069 725 S CB -0.973 62.536 63.200 0.515 0.000 1.006 725 S HN 0.264 nan 8.310 nan 0.000 0.423 726 V N 2.680 122.773 119.914 0.297 0.000 2.220 726 V HA -0.278 3.843 4.120 0.001 0.000 0.250 726 V C 2.137 178.337 176.094 0.176 0.000 1.053 726 V CA 2.254 64.694 62.300 0.233 0.000 1.019 726 V CB -0.825 31.124 31.823 0.210 0.000 0.646 726 V HN 0.536 nan 8.190 nan 0.000 0.455 727 I N -0.740 119.907 120.570 0.128 0.000 2.147 727 I HA -0.383 3.788 4.170 0.001 0.000 0.245 727 I C 2.301 178.435 176.117 0.029 0.000 1.059 727 I CA 2.565 63.901 61.300 0.058 0.000 1.320 727 I CB -0.307 37.709 38.000 0.025 0.000 1.021 727 I HN 0.400 nan 8.210 nan 0.000 0.415 728 F N 2.062 121.898 119.950 -0.190 0.000 2.043 728 F HA -0.352 4.176 4.527 0.001 0.000 0.297 728 F C 2.911 178.659 175.800 -0.086 0.000 1.121 728 F CA 2.308 60.202 58.000 -0.177 0.000 1.199 728 F CB -1.140 37.745 39.000 -0.193 0.000 0.968 728 F HN 0.378 nan 8.300 nan 0.000 0.478 729 S N 0.155 116.136 115.700 0.467 0.000 2.372 729 S HA -0.385 4.086 4.470 0.001 0.000 0.227 729 S C 2.212 176.890 174.600 0.131 0.000 1.044 729 S CA 1.789 60.188 58.200 0.332 0.000 1.050 729 S CB -1.086 62.264 63.200 0.250 0.000 0.901 729 S HN 0.627 nan 8.310 nan 0.000 0.447 730 K N 1.021 121.473 120.400 0.087 0.000 1.977 730 K HA -0.131 4.190 4.320 0.001 0.000 0.218 730 K C 2.050 178.615 176.600 -0.059 0.000 1.051 730 K CA 2.108 58.417 56.287 0.036 0.000 0.953 730 K CB -0.810 31.713 32.500 0.038 0.000 0.727 730 K HN 0.330 nan 8.250 nan 0.000 0.445 731 V N 1.543 121.354 119.914 -0.171 0.000 2.223 731 V HA -0.377 3.744 4.120 0.001 0.000 0.253 731 V C 2.458 178.333 176.094 -0.364 0.000 1.061 731 V CA 2.468 64.564 62.300 -0.339 0.000 1.035 731 V CB -1.188 30.233 31.823 -0.670 0.000 0.653 731 V HN 0.499 nan 8.190 nan 0.000 0.454 732 V N 0.223 119.826 119.914 -0.517 0.000 2.278 732 V HA -0.201 3.920 4.120 0.001 0.000 0.251 732 V C 2.384 178.430 176.094 -0.081 0.000 1.062 732 V CA 2.540 64.620 62.300 -0.368 0.000 1.038 732 V CB -2.010 29.635 31.823 -0.297 0.000 0.646 732 V HN 0.514 nan 8.190 nan 0.000 0.447 733 G N -0.241 108.553 108.800 -0.011 0.000 2.484 733 G HA2 -0.241 3.720 3.960 0.001 0.000 0.215 733 G HA3 -0.241 3.720 3.960 0.001 0.000 0.215 733 G C 1.748 176.667 174.900 0.030 0.000 1.219 733 G CA 1.530 46.669 45.100 0.065 0.000 0.791 733 G HN 0.569 nan 8.290 nan 0.000 0.550 734 V N 0.001 119.921 119.914 0.010 0.000 2.370 734 V HA -0.206 3.914 4.120 0.001 0.000 0.252 734 V C 2.351 178.430 176.094 -0.026 0.000 1.068 734 V CA 2.605 64.898 62.300 -0.012 0.000 1.061 734 V CB -0.403 31.414 31.823 -0.009 0.000 0.656 734 V HN 0.355 nan 8.190 nan 0.000 0.455 735 F N 1.188 121.049 119.950 -0.149 0.000 2.416 735 F HA -0.015 4.513 4.527 0.001 0.000 0.296 735 F C 2.388 178.103 175.800 -0.140 0.000 1.099 735 F CA 1.667 59.569 58.000 -0.163 0.000 1.427 735 F CB -0.230 38.629 39.000 -0.235 0.000 1.079 735 F HN 0.383 nan 8.300 nan 0.000 0.536 736 T N -1.753 112.833 114.554 0.053 0.000 3.081 736 T HA 0.081 4.432 4.350 0.001 0.000 0.255 736 T C 0.133 174.778 174.700 -0.091 0.000 1.113 736 T CA 0.191 62.294 62.100 0.005 0.000 1.082 736 T CB -0.512 68.395 68.868 0.065 0.000 0.939 736 T HN 0.362 nan 8.240 nan 0.000 0.506 737 N N 0.194 118.828 118.700 -0.110 0.000 2.932 737 N HA 0.444 5.185 4.740 0.001 0.000 0.242 737 N C -0.520 174.910 175.510 -0.133 0.000 1.351 737 N CA -0.515 52.454 53.050 -0.134 0.000 0.785 737 N CB 0.994 39.407 38.487 -0.124 0.000 1.501 737 N HN 0.412 nan 8.380 nan 0.000 0.584 738 G N -0.573 108.129 108.800 -0.163 0.000 2.554 738 G HA2 0.637 4.598 3.960 0.001 0.000 0.306 738 G HA3 0.637 4.598 3.960 0.001 0.000 0.306 738 G C -0.997 173.811 174.900 -0.154 0.000 1.320 738 G CA -0.291 44.723 45.100 -0.143 0.000 0.800 738 G HN 0.462 nan 8.290 nan 0.000 0.481 739 G N 0.478 109.202 108.800 -0.126 0.000 2.364 739 G HA2 0.491 4.452 3.960 0.001 0.000 0.267 739 G HA3 0.491 4.452 3.960 0.001 0.000 0.267 739 G C -0.507 174.312 174.900 -0.135 0.000 1.233 739 G CA -0.537 44.494 45.100 -0.115 0.000 0.885 739 G HN 0.365 nan 8.290 nan 0.000 0.490 740 P HA -0.045 nan 4.420 nan 0.000 0.217 740 P C -1.751 175.484 177.300 -0.107 0.000 1.148 740 P CA 0.954 63.968 63.100 -0.142 0.000 0.834 740 P CB -0.773 30.857 31.700 -0.116 0.000 0.783 741 P HA 0.188 nan 4.420 nan 0.000 0.287 741 P C 0.239 177.511 177.300 -0.046 0.000 1.270 741 P CA -0.077 62.991 63.100 -0.054 0.000 0.844 741 P CB 1.202 32.876 31.700 -0.042 0.000 1.068 742 E N -0.925 119.259 120.200 -0.026 0.000 3.801 742 E HA -0.191 4.160 4.350 0.001 0.000 0.319 742 E C 1.225 177.820 176.600 -0.008 0.000 0.784 742 E CA 1.657 58.051 56.400 -0.010 0.000 1.183 742 E CB -2.647 27.047 29.700 -0.010 0.000 1.601 742 E HN 0.776 nan 8.360 nan 0.000 0.441 743 T N -1.869 112.667 114.554 -0.030 0.000 2.759 743 T HA -0.261 4.090 4.350 0.001 0.000 0.269 743 T C 1.786 176.519 174.700 0.055 0.000 1.042 743 T CA 1.839 63.925 62.100 -0.024 0.000 1.140 743 T CB -0.126 68.683 68.868 -0.098 0.000 0.864 743 T HN 0.177 nan 8.240 nan 0.000 0.455 744 Q N 0.937 120.760 119.800 0.038 0.000 2.172 744 Q HA 0.075 4.416 4.340 0.001 0.000 0.200 744 Q C 2.386 178.422 176.000 0.061 0.000 0.964 744 Q CA 1.189 57.018 55.803 0.043 0.000 0.855 744 Q CB -0.234 28.519 28.738 0.026 0.000 0.918 744 Q HN 0.441 nan 8.270 nan 0.000 0.444 745 R N -0.539 119.994 120.500 0.054 0.000 2.153 745 R HA 0.021 4.362 4.340 0.001 0.000 0.218 745 R C 1.765 178.111 176.300 0.076 0.000 1.072 745 R CA 1.203 57.344 56.100 0.068 0.000 0.990 745 R CB -0.022 30.306 30.300 0.047 0.000 0.889 745 R HN 0.266 nan 8.270 nan 0.000 0.452 746 Q N 0.063 119.898 119.800 0.059 0.000 2.096 746 Q HA 0.008 4.349 4.340 0.001 0.000 0.197 746 Q C 1.451 177.495 176.000 0.073 0.000 0.964 746 Q CA 1.091 56.926 55.803 0.053 0.000 0.838 746 Q CB -0.301 28.455 28.738 0.030 0.000 0.906 746 Q HN 0.376 nan 8.270 nan 0.000 0.444 747 N N 0.504 119.251 118.700 0.078 0.000 2.062 747 N HA -0.060 4.680 4.740 0.001 0.000 0.191 747 N C 1.880 177.509 175.510 0.199 0.000 1.042 747 N CA 1.263 54.347 53.050 0.057 0.000 0.845 747 N CB -0.174 38.305 38.487 -0.012 0.000 1.024 747 N HN 0.071 nan 8.380 nan 0.000 0.424 748 S N 1.401 117.232 115.700 0.219 0.000 2.400 748 S HA -0.127 4.344 4.470 0.001 0.000 0.232 748 S C 1.658 176.572 174.600 0.523 0.000 1.025 748 S CA 0.814 59.295 58.200 0.468 0.000 0.993 748 S CB -0.283 63.106 63.200 0.315 0.000 0.808 748 S HN 0.402 nan 8.310 nan 0.000 0.478 749 N N 1.775 120.636 118.700 0.269 0.000 2.051 749 N HA -0.024 4.717 4.740 0.001 0.000 0.192 749 N C 1.742 177.337 175.510 0.141 0.000 1.049 749 N CA 1.293 54.441 53.050 0.163 0.000 0.845 749 N CB -0.473 38.075 38.487 0.102 0.000 1.031 749 N HN 0.336 nan 8.380 nan 0.000 0.425 750 L N 0.426 121.732 121.223 0.138 0.000 1.990 750 L HA -0.205 4.136 4.340 0.001 0.000 0.213 750 L C 2.710 179.677 176.870 0.163 0.000 1.072 750 L CA 1.912 56.815 54.840 0.104 0.000 0.755 750 L CB -1.035 41.046 42.059 0.037 0.000 0.889 750 L HN 0.233 nan 8.230 nan 0.000 0.432 751 F N 0.220 120.231 119.950 0.101 0.000 2.091 751 F HA -0.261 4.266 4.527 0.001 0.000 0.299 751 F C 2.732 178.633 175.800 0.167 0.000 1.103 751 F CA 1.793 59.909 58.000 0.193 0.000 1.228 751 F CB -0.995 38.146 39.000 0.235 0.000 0.984 751 F HN -0.015 nan 8.300 nan 0.000 0.477 752 S N 0.585 115.814 115.700 -0.785 0.000 2.356 752 S HA -0.189 4.281 4.470 0.001 0.000 0.223 752 S C 2.060 176.526 174.600 -0.224 0.000 1.032 752 S CA 1.339 59.094 58.200 -0.741 0.000 1.005 752 S CB -0.894 62.094 63.200 -0.353 0.000 0.867 752 S HN 0.479 nan 8.310 nan 0.000 0.449 753 L N 1.969 123.146 121.223 -0.076 0.000 1.971 753 L HA -0.095 4.245 4.340 0.001 0.000 0.215 753 L C 2.275 179.181 176.870 0.061 0.000 1.072 753 L CA 1.897 56.742 54.840 0.008 0.000 0.758 753 L CB -0.950 41.135 42.059 0.042 0.000 0.889 753 L HN 0.425 nan 8.230 nan 0.000 0.433 754 L N -1.450 119.827 121.223 0.089 0.000 1.997 754 L HA -0.369 3.972 4.340 0.001 0.000 0.227 754 L C 2.455 179.464 176.870 0.231 0.000 1.087 754 L CA 2.291 57.233 54.840 0.171 0.000 0.797 754 L CB -0.832 41.327 42.059 0.166 0.000 0.902 754 L HN 0.387 nan 8.230 nan 0.000 0.441 755 F N 0.775 120.686 119.950 -0.065 0.000 2.021 755 F HA -0.424 4.104 4.527 0.001 0.000 0.297 755 F C 2.516 178.301 175.800 -0.025 0.000 1.152 755 F CA 2.031 59.981 58.000 -0.082 0.000 1.201 755 F CB -0.142 38.725 39.000 -0.221 0.000 0.951 755 F HN 0.086 nan 8.300 nan 0.000 0.504 756 L N 0.343 121.560 121.223 -0.011 0.000 2.013 756 L HA -0.276 4.065 4.340 0.001 0.000 0.212 756 L C 2.078 178.969 176.870 0.035 0.000 1.073 756 L CA 1.519 56.287 54.840 -0.119 0.000 0.753 756 L CB -1.747 40.236 42.059 -0.128 0.000 0.890 756 L HN 0.150 nan 8.230 nan 0.000 0.432 757 I N -0.186 120.444 120.570 0.100 0.000 2.032 757 I HA -0.298 3.873 4.170 0.001 0.000 0.228 757 I C 2.648 178.886 176.117 0.202 0.000 1.030 757 I CA 1.723 63.113 61.300 0.149 0.000 1.318 757 I CB -1.162 36.944 38.000 0.176 0.000 1.049 757 I HN 0.389 nan 8.210 nan 0.000 0.387 758 L N 0.535 121.920 121.223 0.270 0.000 1.950 758 L HA -0.258 4.083 4.340 0.001 0.000 0.233 758 L C 2.588 179.604 176.870 0.244 0.000 1.090 758 L CA 2.396 57.405 54.840 0.281 0.000 0.809 758 L CB -1.197 41.042 42.059 0.300 0.000 0.905 758 L HN 0.446 nan 8.230 nan 0.000 0.439 759 G N 0.267 109.229 108.800 0.270 0.000 2.703 759 G HA2 -0.368 3.592 3.960 0.001 0.000 0.222 759 G HA3 -0.368 3.592 3.960 0.001 0.000 0.222 759 G C 1.361 176.393 174.900 0.220 0.000 1.183 759 G CA 1.547 46.806 45.100 0.264 0.000 0.775 759 G HN 0.430 nan 8.290 nan 0.000 0.615 760 I N 0.523 121.181 120.570 0.148 0.000 2.193 760 I HA -0.024 4.146 4.170 0.001 0.000 0.240 760 I C 2.832 179.044 176.117 0.159 0.000 1.084 760 I CA 0.728 62.098 61.300 0.118 0.000 1.365 760 I CB -1.227 36.784 38.000 0.017 0.000 1.064 760 I HN 0.076 nan 8.210 nan 0.000 0.410 761 I N 0.625 121.293 120.570 0.163 0.000 2.361 761 I HA -0.231 3.940 4.170 0.001 0.000 0.251 761 I C 2.808 179.080 176.117 0.259 0.000 1.133 761 I CA 1.212 62.626 61.300 0.191 0.000 1.413 761 I CB -0.776 37.338 38.000 0.191 0.000 1.073 761 I HN 0.163 nan 8.210 nan 0.000 0.424 762 S N 0.239 116.104 115.700 0.275 0.000 2.343 762 S HA -0.205 4.266 4.470 0.001 0.000 0.212 762 S C 2.224 177.055 174.600 0.385 0.000 1.033 762 S CA 1.072 59.461 58.200 0.315 0.000 1.004 762 S CB -0.796 62.508 63.200 0.174 0.000 0.977 762 S HN 0.472 nan 8.310 nan 0.000 0.427 763 F N 1.467 121.479 119.950 0.104 0.000 2.106 763 F HA -0.233 4.295 4.527 0.001 0.000 0.299 763 F C 1.872 177.809 175.800 0.228 0.000 1.082 763 F CA 1.421 59.490 58.000 0.115 0.000 1.244 763 F CB -0.069 38.959 39.000 0.047 0.000 0.997 763 F HN 0.290 nan 8.300 nan 0.000 0.486 764 I N 0.026 120.747 120.570 0.253 0.000 2.162 764 I HA -0.247 3.924 4.170 0.001 0.000 0.238 764 I C 2.630 178.923 176.117 0.293 0.000 1.076 764 I CA 1.843 63.236 61.300 0.155 0.000 1.353 764 I CB -1.840 36.217 38.000 0.095 0.000 1.063 764 I HN 0.168 nan 8.210 nan 0.000 0.408 765 T N 0.911 115.658 114.554 0.323 0.000 2.685 765 T HA -0.232 4.119 4.350 0.001 0.000 0.268 765 T C 1.817 176.731 174.700 0.355 0.000 1.034 765 T CA 1.749 64.038 62.100 0.316 0.000 1.149 765 T CB -0.193 68.875 68.868 0.334 0.000 0.860 765 T HN 0.044 nan 8.240 nan 0.000 0.449 766 F N 0.622 120.722 119.950 0.250 0.000 1.990 766 F HA 0.114 4.642 4.527 0.001 0.000 0.294 766 F C 1.986 177.949 175.800 0.271 0.000 1.177 766 F CA 1.222 59.392 58.000 0.284 0.000 1.167 766 F CB -1.473 37.732 39.000 0.341 0.000 0.971 766 F HN 0.173 nan 8.300 nan 0.000 0.483 767 F N 0.768 120.953 119.950 0.392 0.000 2.064 767 F HA -0.381 4.147 4.527 0.001 0.000 0.292 767 F C 2.350 178.203 175.800 0.088 0.000 1.107 767 F CA 2.097 60.202 58.000 0.174 0.000 1.243 767 F CB -1.284 37.727 39.000 0.019 0.000 0.949 767 F HN 0.035 nan 8.300 nan 0.000 0.506 768 L N 0.959 122.220 121.223 0.062 0.000 1.978 768 L HA -0.296 4.045 4.340 0.001 0.000 0.218 768 L C 2.717 179.519 176.870 -0.114 0.000 1.075 768 L CA 2.912 57.718 54.840 -0.056 0.000 0.767 768 L CB -1.584 40.524 42.059 0.081 0.000 0.890 768 L HN 0.647 nan 8.230 nan 0.000 0.434 769 Q N -1.288 118.500 119.800 -0.019 0.000 2.030 769 Q HA -0.137 4.203 4.340 0.001 0.000 0.204 769 Q C 2.111 177.856 176.000 -0.425 0.000 0.986 769 Q CA 1.749 57.540 55.803 -0.020 0.000 0.843 769 Q CB -1.456 27.403 28.738 0.201 0.000 0.904 769 Q HN 0.501 nan 8.270 nan 0.000 0.420 770 G N 0.594 109.120 108.800 -0.456 0.000 2.547 770 G HA2 -0.319 3.642 3.960 0.001 0.000 0.221 770 G HA3 -0.319 3.642 3.960 0.001 0.000 0.221 770 G C 1.198 175.590 174.900 -0.846 0.000 1.140 770 G CA 1.012 45.536 45.100 -0.960 0.000 0.760 770 G HN 0.477 nan 8.290 nan 0.000 0.583 771 F N 1.707 121.231 119.950 -0.711 0.000 2.113 771 F HA -0.149 4.379 4.527 0.001 0.000 0.297 771 F C 3.158 178.621 175.800 -0.561 0.000 1.103 771 F CA 1.642 59.292 58.000 -0.584 0.000 1.248 771 F CB -0.032 38.605 39.000 -0.606 0.000 0.999 771 F HN 0.339 nan 8.300 nan 0.000 0.475 772 T N -0.169 114.071 114.554 -0.524 0.000 2.571 772 T HA -0.285 4.065 4.350 0.001 0.000 0.255 772 T C 1.748 176.050 174.700 -0.664 0.000 1.100 772 T CA 1.413 62.931 62.100 -0.970 0.000 1.199 772 T CB -1.625 66.657 68.868 -0.976 0.000 0.870 772 T HN 0.387 nan 8.240 nan 0.000 0.399 773 F N 2.830 122.605 119.950 -0.291 0.000 2.147 773 F HA 0.099 4.627 4.527 0.001 0.000 0.301 773 F C 2.348 178.157 175.800 0.014 0.000 1.084 773 F CA 0.635 58.607 58.000 -0.047 0.000 1.268 773 F CB -1.616 37.380 39.000 -0.007 0.000 1.009 773 F HN 0.315 nan 8.300 nan 0.000 0.486 774 G N 0.521 109.057 108.800 -0.441 0.000 2.453 774 G HA2 -0.322 3.639 3.960 0.001 0.000 0.215 774 G HA3 -0.322 3.639 3.960 0.001 0.000 0.215 774 G C 1.705 176.616 174.900 0.018 0.000 1.201 774 G CA 0.960 45.953 45.100 -0.179 0.000 0.784 774 G HN 0.465 nan 8.290 nan 0.000 0.545 775 K N 0.512 120.912 120.400 -0.001 0.000 2.113 775 K HA -0.094 4.227 4.320 0.001 0.000 0.208 775 K C 2.799 179.524 176.600 0.208 0.000 1.047 775 K CA 1.201 57.547 56.287 0.098 0.000 0.928 775 K CB -0.311 32.241 32.500 0.088 0.000 0.716 775 K HN 0.250 nan 8.250 nan 0.000 0.446 776 A N 0.799 123.818 122.820 0.332 0.000 1.849 776 A HA -0.181 4.140 4.320 0.001 0.000 0.217 776 A C 2.390 180.123 177.584 0.249 0.000 1.202 776 A CA 2.277 54.563 52.037 0.414 0.000 0.629 776 A CB -1.667 17.628 19.000 0.491 0.000 0.834 776 A HN 0.533 nan 8.150 nan 0.000 0.447 777 G N -0.764 108.161 108.800 0.209 0.000 2.475 777 G HA2 -0.237 3.724 3.960 0.001 0.000 0.220 777 G HA3 -0.237 3.724 3.960 0.001 0.000 0.220 777 G C 1.361 176.323 174.900 0.104 0.000 1.125 777 G CA 1.214 46.400 45.100 0.143 0.000 0.755 777 G HN 0.723 nan 8.290 nan 0.000 0.565 778 E N 0.375 120.630 120.200 0.093 0.000 1.998 778 E HA -0.152 4.199 4.350 0.001 0.000 0.196 778 E C 2.614 179.258 176.600 0.073 0.000 1.003 778 E CA 1.346 57.781 56.400 0.057 0.000 0.829 778 E CB -0.369 29.358 29.700 0.047 0.000 0.777 778 E HN 0.629 nan 8.360 nan 0.000 0.460 779 I N -0.257 120.363 120.570 0.084 0.000 2.118 779 I HA -0.321 3.850 4.170 0.001 0.000 0.241 779 I C 2.487 178.661 176.117 0.094 0.000 1.070 779 I CA 1.431 62.778 61.300 0.077 0.000 1.327 779 I CB -0.734 37.300 38.000 0.056 0.000 1.034 779 I HN 0.058 nan 8.210 nan 0.000 0.405 780 L N 0.831 122.122 121.223 0.114 0.000 2.011 780 L HA -0.288 4.053 4.340 0.001 0.000 0.225 780 L C 2.824 179.755 176.870 0.102 0.000 1.084 780 L CA 2.665 57.573 54.840 0.113 0.000 0.791 780 L CB -1.096 41.035 42.059 0.119 0.000 0.898 780 L HN 0.439 nan 8.230 nan 0.000 0.440 781 T N -0.606 114.006 114.554 0.097 0.000 2.502 781 T HA -0.261 4.090 4.350 0.001 0.000 0.258 781 T C 1.738 176.505 174.700 0.112 0.000 1.146 781 T CA 1.739 63.898 62.100 0.099 0.000 1.208 781 T CB -0.273 68.649 68.868 0.091 0.000 0.864 781 T HN 0.253 nan 8.240 nan 0.000 0.402 782 K N 0.555 121.017 120.400 0.104 0.000 2.023 782 K HA -0.290 4.030 4.320 0.001 0.000 0.227 782 K C 2.478 179.173 176.600 0.158 0.000 1.054 782 K CA 2.147 58.504 56.287 0.116 0.000 0.977 782 K CB -0.327 32.227 32.500 0.091 0.000 0.733 782 K HN 0.175 nan 8.250 nan 0.000 0.451 783 R N 0.821 121.411 120.500 0.150 0.000 2.094 783 R HA -0.164 4.177 4.340 0.001 0.000 0.239 783 R C 2.331 178.731 176.300 0.167 0.000 1.137 783 R CA 1.429 57.633 56.100 0.173 0.000 0.943 783 R CB -0.353 30.012 30.300 0.108 0.000 0.850 783 R HN 0.123 nan 8.270 nan 0.000 0.433 784 L N 1.025 122.327 121.223 0.131 0.000 1.997 784 L HA -0.266 4.075 4.340 0.001 0.000 0.216 784 L C 2.497 179.461 176.870 0.157 0.000 1.074 784 L CA 2.018 56.931 54.840 0.121 0.000 0.763 784 L CB -1.124 40.997 42.059 0.103 0.000 0.890 784 L HN 0.369 nan 8.230 nan 0.000 0.434 785 R N -1.484 119.122 120.500 0.176 0.000 2.103 785 R HA -0.256 4.084 4.340 0.001 0.000 0.234 785 R C 2.212 178.698 176.300 0.310 0.000 1.132 785 R CA 1.939 58.164 56.100 0.210 0.000 0.925 785 R CB -0.860 29.553 30.300 0.189 0.000 0.842 785 R HN 0.367 nan 8.270 nan 0.000 0.430 786 Y N 1.212 121.593 120.300 0.134 0.000 2.062 786 Y HA -0.431 4.120 4.550 0.001 0.000 0.273 786 Y C 2.458 178.423 175.900 0.108 0.000 1.206 786 Y CA 1.754 59.919 58.100 0.107 0.000 1.125 786 Y CB -0.100 38.396 38.460 0.059 0.000 0.951 786 Y HN 0.114 nan 8.280 nan 0.000 0.501 787 M N -0.872 118.847 119.600 0.198 0.000 2.066 787 M HA -0.270 4.210 4.480 0.001 0.000 0.259 787 M C 2.035 178.433 176.300 0.162 0.000 1.074 787 M CA 1.780 57.125 55.300 0.075 0.000 1.114 787 M CB -0.798 31.817 32.600 0.025 0.000 1.306 787 M HN 0.158 nan 8.290 nan 0.000 0.411 788 V N 0.475 120.499 119.914 0.184 0.000 2.250 788 V HA -0.347 3.774 4.120 0.001 0.000 0.250 788 V C 2.142 178.410 176.094 0.292 0.000 1.060 788 V CA 2.387 64.807 62.300 0.200 0.000 1.030 788 V CB -0.969 30.953 31.823 0.166 0.000 0.643 788 V HN 0.435 nan 8.190 nan 0.000 0.445 789 F N 0.643 120.674 119.950 0.135 0.000 2.046 789 F HA -0.247 4.281 4.527 0.001 0.000 0.297 789 F C 2.702 178.581 175.800 0.131 0.000 1.123 789 F CA 1.619 59.694 58.000 0.125 0.000 1.199 789 F CB -0.040 39.025 39.000 0.107 0.000 0.972 789 F HN 0.051 nan 8.300 nan 0.000 0.474 790 K N 0.596 121.189 120.400 0.321 0.000 2.063 790 K HA -0.157 4.164 4.320 0.001 0.000 0.208 790 K C 2.009 178.719 176.600 0.183 0.000 1.048 790 K CA 1.509 57.886 56.287 0.150 0.000 0.928 790 K CB -1.036 31.518 32.500 0.090 0.000 0.713 790 K HN 0.234 nan 8.250 nan 0.000 0.442 791 S N 1.404 117.218 115.700 0.189 0.000 2.407 791 S HA -0.165 4.306 4.470 0.001 0.000 0.235 791 S C 2.007 176.758 174.600 0.252 0.000 1.036 791 S CA 1.617 59.918 58.200 0.167 0.000 1.013 791 S CB -0.216 63.074 63.200 0.150 0.000 0.820 791 S HN 0.304 nan 8.310 nan 0.000 0.476 792 M N 0.396 120.217 119.600 0.368 0.000 2.134 792 M HA 0.024 4.505 4.480 0.001 0.000 0.262 792 M C 2.261 178.858 176.300 0.494 0.000 1.076 792 M CA 0.916 56.542 55.300 0.544 0.000 1.143 792 M CB -0.532 32.399 32.600 0.551 0.000 1.346 792 M HN 0.223 nan 8.290 nan 0.000 0.421 793 L N 1.144 122.572 121.223 0.343 0.000 1.991 793 L HA -0.288 4.053 4.340 0.001 0.000 0.221 793 L C 2.345 179.331 176.870 0.193 0.000 1.079 793 L CA 2.265 57.219 54.840 0.191 0.000 0.778 793 L CB -0.785 41.301 42.059 0.044 0.000 0.893 793 L HN 0.324 nan 8.230 nan 0.000 0.437 794 R N -0.807 119.789 120.500 0.160 0.000 2.081 794 R HA -0.093 4.248 4.340 0.001 0.000 0.235 794 R C 1.243 177.648 176.300 0.176 0.000 1.131 794 R CA 0.313 56.487 56.100 0.124 0.000 0.960 794 R CB -0.214 30.128 30.300 0.070 0.000 0.856 794 R HN 0.507 nan 8.270 nan 0.000 0.436 795 Q N 0.133 120.077 119.800 0.240 0.000 2.614 795 Q HA -0.080 4.261 4.340 0.001 0.000 0.244 795 Q C 0.146 176.375 176.000 0.382 0.000 1.097 795 Q CA 1.326 57.270 55.803 0.234 0.000 0.986 795 Q CB 0.857 29.771 28.738 0.294 0.000 1.308 795 Q HN 0.480 nan 8.270 nan 0.000 0.546 796 D N -2.416 118.100 120.400 0.192 0.000 1.517 796 D HA -0.141 4.499 4.640 0.001 0.000 0.477 796 D C 1.133 177.467 176.300 0.056 0.000 1.281 796 D CA 0.520 54.673 54.000 0.255 0.000 0.605 796 D CB -0.549 40.448 40.800 0.327 0.000 3.220 796 D HN 0.294 nan 8.370 nan 0.000 0.200 797 V N 1.937 121.854 119.914 0.005 0.000 2.360 797 V HA -0.366 3.755 4.120 0.001 0.000 0.219 797 V C 2.287 178.289 176.094 -0.152 0.000 0.918 797 V CA 3.575 65.808 62.300 -0.111 0.000 1.055 797 V CB -1.472 30.309 31.823 -0.070 0.000 0.743 797 V HN 0.542 nan 8.190 nan 0.000 0.539 798 S N -1.825 113.864 115.700 -0.019 0.000 2.522 798 S HA -0.082 4.389 4.470 0.001 0.000 0.227 798 S C 1.185 175.906 174.600 0.202 0.000 0.986 798 S CA 1.024 59.316 58.200 0.154 0.000 0.929 798 S CB -0.334 62.989 63.200 0.205 0.000 0.769 798 S HN 0.630 nan 8.310 nan 0.000 0.529 799 W N 1.221 122.381 121.300 -0.233 0.000 2.233 799 W HA -0.239 4.422 4.660 0.001 0.000 0.321 799 W C 1.220 177.509 176.519 -0.384 0.000 1.187 799 W CA 1.051 58.126 57.345 -0.451 0.000 1.172 799 W CB -0.240 28.660 29.460 -0.934 0.000 1.186 799 W HN 0.309 nan 8.180 nan 0.000 0.456 800 F N 0.693 120.709 119.950 0.111 0.000 2.512 800 F HA -0.058 4.470 4.527 0.001 0.000 0.296 800 F C 1.757 177.532 175.800 -0.041 0.000 1.110 800 F CA 0.921 58.870 58.000 -0.084 0.000 1.446 800 F CB -1.299 37.639 39.000 -0.104 0.000 1.092 800 F HN -0.119 nan 8.300 nan 0.000 0.554 801 D N -0.265 120.196 120.400 0.102 0.000 2.144 801 D HA -0.160 4.481 4.640 0.001 0.000 0.199 801 D C 0.535 176.969 176.300 0.224 0.000 0.984 801 D CA 1.594 55.643 54.000 0.082 0.000 0.834 801 D CB -0.068 40.638 40.800 -0.157 0.000 0.955 801 D HN 0.190 nan 8.370 nan 0.000 0.465 802 D N -0.740 119.801 120.400 0.236 0.000 2.735 802 D HA 0.169 4.809 4.640 0.001 0.000 0.291 802 D C -2.702 173.701 176.300 0.172 0.000 1.205 802 D CA -1.654 52.495 54.000 0.249 0.000 0.777 802 D CB 0.963 42.009 40.800 0.410 0.000 1.234 802 D HN -0.050 nan 8.370 nan 0.000 0.520 803 P HA 0.357 nan 4.420 nan 0.000 0.283 803 P C -0.525 176.771 177.300 -0.006 0.000 1.278 803 P CA -0.568 62.527 63.100 -0.009 0.000 0.834 803 P CB 1.486 33.114 31.700 -0.120 0.000 1.150 804 K N -0.012 120.361 120.400 -0.045 0.000 2.644 804 K HA 0.259 4.579 4.320 0.001 0.000 0.198 804 K C -0.555 175.998 176.600 -0.078 0.000 1.113 804 K CA -0.177 56.094 56.287 -0.026 0.000 1.073 804 K CB -0.346 32.166 32.500 0.019 0.000 0.811 804 K HN 0.202 nan 8.250 nan 0.000 0.508 805 N N 2.202 120.802 118.700 -0.167 0.000 2.904 805 N HA 0.024 4.765 4.740 0.001 0.000 0.257 805 N C -0.540 174.863 175.510 -0.178 0.000 1.363 805 N CA -0.157 52.762 53.050 -0.220 0.000 0.856 805 N CB 1.593 39.812 38.487 -0.445 0.000 1.166 805 N HN 0.168 nan 8.380 nan 0.000 0.499 806 T N -0.054 114.432 114.554 -0.112 0.000 2.779 806 T HA -0.099 4.252 4.350 0.001 0.000 0.348 806 T C 1.649 176.289 174.700 -0.100 0.000 1.090 806 T CA 0.688 62.734 62.100 -0.089 0.000 1.111 806 T CB 0.558 69.386 68.868 -0.067 0.000 1.026 806 T HN 0.396 nan 8.240 nan 0.000 0.547 807 T N 3.361 117.861 114.554 -0.089 0.000 2.720 807 T HA -0.036 4.315 4.350 0.001 0.000 0.268 807 T C 1.989 176.631 174.700 -0.098 0.000 1.037 807 T CA 1.663 63.702 62.100 -0.101 0.000 1.144 807 T CB -0.996 67.822 68.868 -0.083 0.000 0.864 807 T HN 0.814 nan 8.240 nan 0.000 0.444 808 G N 1.456 110.208 108.800 -0.079 0.000 2.604 808 G HA2 -0.096 3.865 3.960 0.001 0.000 0.216 808 G HA3 -0.096 3.865 3.960 0.001 0.000 0.216 808 G C 1.887 176.735 174.900 -0.086 0.000 1.265 808 G CA 1.215 46.270 45.100 -0.075 0.000 0.804 808 G HN 0.569 nan 8.290 nan 0.000 0.579 809 A N 0.385 123.154 122.820 -0.085 0.000 2.001 809 A HA -0.193 4.127 4.320 0.001 0.000 0.224 809 A C 2.471 179.992 177.584 -0.104 0.000 1.203 809 A CA 2.106 54.087 52.037 -0.094 0.000 0.667 809 A CB -0.562 18.378 19.000 -0.100 0.000 0.823 809 A HN 0.419 nan 8.150 nan 0.000 0.473 810 L N -1.086 120.068 121.223 -0.114 0.000 1.982 810 L HA -0.149 4.192 4.340 0.001 0.000 0.206 810 L C 3.073 179.865 176.870 -0.129 0.000 1.078 810 L CA 1.896 56.666 54.840 -0.118 0.000 0.749 810 L CB -1.576 40.402 42.059 -0.135 0.000 0.894 810 L HN 0.645 nan 8.230 nan 0.000 0.436 811 T N -2.608 111.858 114.554 -0.148 0.000 2.594 811 T HA -0.328 4.023 4.350 0.001 0.000 0.266 811 T C 1.772 176.409 174.700 -0.105 0.000 1.070 811 T CA 2.443 64.455 62.100 -0.146 0.000 1.166 811 T CB -1.312 67.489 68.868 -0.112 0.000 0.862 811 T HN 0.301 nan 8.240 nan 0.000 0.436 812 T N 2.003 116.505 114.554 -0.088 0.000 2.570 812 T HA -0.181 4.170 4.350 0.001 0.000 0.266 812 T C 2.174 176.837 174.700 -0.061 0.000 1.071 812 T CA 1.675 63.733 62.100 -0.071 0.000 1.172 812 T CB -0.419 68.407 68.868 -0.071 0.000 0.864 812 T HN 0.287 nan 8.240 nan 0.000 0.421 813 R N 0.615 121.074 120.500 -0.069 0.000 2.189 813 R HA -0.146 4.195 4.340 0.001 0.000 0.252 813 R C 2.330 178.618 176.300 -0.021 0.000 1.134 813 R CA 1.294 57.365 56.100 -0.048 0.000 0.954 813 R CB -1.402 28.872 30.300 -0.042 0.000 0.890 813 R HN 0.344 nan 8.270 nan 0.000 0.443 814 L N -0.167 121.029 121.223 -0.045 0.000 1.934 814 L HA -0.247 4.093 4.340 0.001 0.000 0.227 814 L C 2.531 179.406 176.870 0.009 0.000 1.084 814 L CA 2.297 57.120 54.840 -0.028 0.000 0.790 814 L CB -1.836 40.170 42.059 -0.088 0.000 0.896 814 L HN 0.235 nan 8.230 nan 0.000 0.437 815 A N 0.969 123.786 122.820 -0.005 0.000 1.849 815 A HA -0.353 3.968 4.320 0.001 0.000 0.216 815 A C 1.953 179.553 177.584 0.027 0.000 1.225 815 A CA 2.710 54.756 52.037 0.014 0.000 0.653 815 A CB -1.420 17.563 19.000 -0.029 0.000 0.844 815 A HN 0.730 nan 8.150 nan 0.000 0.453 816 N N 0.246 118.947 118.700 0.002 0.000 2.058 816 N HA -0.280 4.461 4.740 0.001 0.000 0.200 816 N C 1.144 176.676 175.510 0.036 0.000 1.033 816 N CA 2.690 55.748 53.050 0.013 0.000 0.880 816 N CB -0.812 37.673 38.487 -0.005 0.000 1.069 816 N HN 0.554 nan 8.380 nan 0.000 0.461 817 D N -0.019 120.404 120.400 0.038 0.000 2.144 817 D HA -0.123 4.517 4.640 0.001 0.000 0.199 817 D C 2.000 178.338 176.300 0.063 0.000 0.984 817 D CA 1.503 55.537 54.000 0.056 0.000 0.834 817 D CB -0.554 40.287 40.800 0.069 0.000 0.955 817 D HN 0.591 nan 8.370 nan 0.000 0.465 818 A N 1.553 124.415 122.820 0.070 0.000 1.883 818 A HA -0.111 4.210 4.320 0.001 0.000 0.217 818 A C 2.407 180.039 177.584 0.080 0.000 1.186 818 A CA 2.326 54.413 52.037 0.083 0.000 0.624 818 A CB -0.719 18.340 19.000 0.099 0.000 0.822 818 A HN 0.254 nan 8.150 nan 0.000 0.444 819 A N -1.033 121.839 122.820 0.086 0.000 1.877 819 A HA -0.206 4.115 4.320 0.001 0.000 0.216 819 A C 2.138 179.757 177.584 0.059 0.000 1.186 819 A CA 1.727 53.816 52.037 0.088 0.000 0.620 819 A CB -0.530 18.531 19.000 0.101 0.000 0.822 819 A HN 0.539 nan 8.150 nan 0.000 0.443 820 Q N -0.090 119.738 119.800 0.047 0.000 2.050 820 Q HA -0.157 4.183 4.340 0.001 0.000 0.202 820 Q C 2.447 178.447 176.000 0.000 0.000 0.980 820 Q CA 2.091 57.909 55.803 0.025 0.000 0.840 820 Q CB -1.224 27.532 28.738 0.029 0.000 0.898 820 Q HN 0.782 nan 8.270 nan 0.000 0.424 821 V N -0.460 119.460 119.914 0.011 0.000 2.343 821 V HA -0.250 3.871 4.120 0.001 0.000 0.247 821 V C 2.427 178.520 176.094 -0.001 0.000 1.051 821 V CA 2.216 64.512 62.300 -0.008 0.000 1.036 821 V CB -0.877 30.957 31.823 0.019 0.000 0.654 821 V HN 0.229 nan 8.190 nan 0.000 0.451 822 K N 1.571 121.989 120.400 0.031 0.000 2.059 822 K HA -0.203 4.118 4.320 0.001 0.000 0.212 822 K C 2.154 178.768 176.600 0.024 0.000 1.050 822 K CA 2.385 58.700 56.287 0.046 0.000 0.927 822 K CB -1.030 31.510 32.500 0.065 0.000 0.714 822 K HN 0.595 nan 8.250 nan 0.000 0.447 823 G N -0.181 108.626 108.800 0.012 0.000 2.448 823 G HA2 -0.201 3.759 3.960 0.001 0.000 0.219 823 G HA3 -0.201 3.759 3.960 0.001 0.000 0.219 823 G C 1.491 176.373 174.900 -0.030 0.000 1.127 823 G CA 0.836 45.937 45.100 0.002 0.000 0.766 823 G HN 0.477 nan 8.290 nan 0.000 0.552 824 A N 0.459 123.230 122.820 -0.082 0.000 1.873 824 A HA 0.003 4.324 4.320 0.001 0.000 0.215 824 A C 2.530 180.069 177.584 -0.076 0.000 1.186 824 A CA 2.345 54.284 52.037 -0.164 0.000 0.616 824 A CB -0.855 18.033 19.000 -0.186 0.000 0.823 824 A HN 0.267 nan 8.150 nan 0.000 0.442 825 T N -0.285 114.232 114.554 -0.060 0.000 2.821 825 T HA -0.001 4.350 4.350 0.001 0.000 0.267 825 T C 1.959 176.620 174.700 -0.064 0.000 1.046 825 T CA 1.310 63.354 62.100 -0.093 0.000 1.139 825 T CB -0.570 68.237 68.868 -0.102 0.000 0.871 825 T HN 0.570 nan 8.240 nan 0.000 0.454 826 G N 0.732 109.518 108.800 -0.023 0.000 2.418 826 G HA2 -0.213 3.747 3.960 0.001 0.000 0.217 826 G HA3 -0.213 3.747 3.960 0.001 0.000 0.217 826 G C 1.828 176.732 174.900 0.007 0.000 1.158 826 G CA 1.216 46.288 45.100 -0.047 0.000 0.771 826 G HN 0.504 nan 8.290 nan 0.000 0.545 827 S N 0.243 115.986 115.700 0.072 0.000 2.363 827 S HA -0.176 4.295 4.470 0.001 0.000 0.218 827 S C 2.606 177.269 174.600 0.104 0.000 1.035 827 S CA 1.545 59.834 58.200 0.149 0.000 1.043 827 S CB -0.286 63.100 63.200 0.310 0.000 0.986 827 S HN 0.292 nan 8.310 nan 0.000 0.423 828 R N 1.005 121.573 120.500 0.113 0.000 2.165 828 R HA -0.168 4.173 4.340 0.001 0.000 0.254 828 R C 2.329 178.621 176.300 -0.014 0.000 1.153 828 R CA 1.763 57.892 56.100 0.048 0.000 0.971 828 R CB -1.701 28.586 30.300 -0.023 0.000 0.878 828 R HN 0.517 nan 8.270 nan 0.000 0.449 829 L N 0.024 121.223 121.223 -0.039 0.000 1.955 829 L HA -0.178 4.162 4.340 0.001 0.000 0.213 829 L C 2.747 179.600 176.870 -0.027 0.000 1.072 829 L CA 1.647 56.460 54.840 -0.045 0.000 0.755 829 L CB -0.853 41.162 42.059 -0.073 0.000 0.888 829 L HN 0.190 nan 8.230 nan 0.000 0.432 830 A N -0.272 122.512 122.820 -0.061 0.000 1.948 830 A HA -0.183 4.138 4.320 0.001 0.000 0.220 830 A C 2.325 179.943 177.584 0.057 0.000 1.177 830 A CA 2.115 54.114 52.037 -0.065 0.000 0.636 830 A CB -0.966 17.951 19.000 -0.139 0.000 0.815 830 A HN 0.235 nan 8.150 nan 0.000 0.449 831 V N 0.564 120.492 119.914 0.022 0.000 2.216 831 V HA -0.282 3.839 4.120 0.001 0.000 0.243 831 V C 2.431 178.512 176.094 -0.022 0.000 1.044 831 V CA 1.894 64.189 62.300 -0.007 0.000 0.995 831 V CB -0.757 31.058 31.823 -0.014 0.000 0.633 831 V HN 0.529 nan 8.190 nan 0.000 0.446 832 I N -0.274 120.288 120.570 -0.014 0.000 2.143 832 I HA -0.308 3.863 4.170 0.001 0.000 0.245 832 I C 2.318 178.434 176.117 -0.002 0.000 1.068 832 I CA 2.074 63.361 61.300 -0.021 0.000 1.326 832 I CB -1.292 36.705 38.000 -0.005 0.000 1.028 832 I HN 0.407 nan 8.210 nan 0.000 0.412 833 F N 2.405 122.292 119.950 -0.106 0.000 2.014 833 F HA -0.376 4.151 4.527 0.002 0.000 0.299 833 F C 2.816 178.554 175.800 -0.105 0.000 1.224 833 F CA 2.628 60.560 58.000 -0.114 0.000 1.200 833 F CB -1.255 37.643 39.000 -0.170 0.000 0.948 833 F HN 0.325 nan 8.300 nan 0.000 0.520 834 Q N 0.451 119.741 119.800 -0.851 0.000 2.182 834 Q HA -0.369 3.972 4.340 0.001 0.000 0.213 834 Q C 1.905 177.624 176.000 -0.469 0.000 1.000 834 Q CA 2.157 57.461 55.803 -0.832 0.000 0.889 834 Q CB -1.197 27.319 28.738 -0.369 0.000 0.932 834 Q HN 0.682 nan 8.270 nan 0.000 0.415 835 N N 1.139 119.669 118.700 -0.282 0.000 2.003 835 N HA -0.208 4.532 4.740 0.001 0.000 0.198 835 N C 1.723 177.104 175.510 -0.216 0.000 1.073 835 N CA 2.459 55.391 53.050 -0.197 0.000 0.875 835 N CB -0.402 38.005 38.487 -0.133 0.000 1.074 835 N HN 0.372 nan 8.380 nan 0.000 0.435 836 I N 0.332 120.790 120.570 -0.187 0.000 2.229 836 I HA -0.351 3.820 4.170 0.001 0.000 0.250 836 I C 2.246 178.229 176.117 -0.223 0.000 1.096 836 I CA 1.179 62.376 61.300 -0.172 0.000 1.358 836 I CB -0.733 37.189 38.000 -0.129 0.000 1.047 836 I HN 0.367 nan 8.210 nan 0.000 0.422 837 A N 1.283 123.915 122.820 -0.313 0.000 1.848 837 A HA -0.317 4.004 4.320 0.001 0.000 0.211 837 A C 2.082 179.441 177.584 -0.375 0.000 1.225 837 A CA 2.336 54.155 52.037 -0.362 0.000 0.637 837 A CB -1.359 17.281 19.000 -0.601 0.000 0.867 837 A HN 0.545 nan 8.150 nan 0.000 0.463 838 N N -0.909 117.575 118.700 -0.360 0.000 2.002 838 N HA -0.230 4.511 4.740 0.001 0.000 0.199 838 N C 1.803 177.156 175.510 -0.261 0.000 1.067 838 N CA 1.832 54.701 53.050 -0.300 0.000 0.870 838 N CB -0.332 38.066 38.487 -0.148 0.000 1.073 838 N HN 0.338 nan 8.380 nan 0.000 0.432 839 L N 0.986 122.101 121.223 -0.180 0.000 1.981 839 L HA -0.206 4.135 4.340 0.001 0.000 0.237 839 L C 2.197 178.966 176.870 -0.169 0.000 1.095 839 L CA 2.697 57.452 54.840 -0.141 0.000 0.820 839 L CB -1.468 40.517 42.059 -0.124 0.000 0.914 839 L HN 0.465 nan 8.230 nan 0.000 0.442 840 G N -1.891 106.806 108.800 -0.172 0.000 2.912 840 G HA2 -0.403 3.558 3.960 0.001 0.000 0.214 840 G HA3 -0.403 3.558 3.960 0.001 0.000 0.214 840 G C 1.325 176.108 174.900 -0.193 0.000 1.341 840 G CA 2.259 47.260 45.100 -0.165 0.000 0.794 840 G HN 0.567 nan 8.290 nan 0.000 0.691 841 T N 1.141 115.555 114.554 -0.234 0.000 2.685 841 T HA -0.143 4.208 4.350 0.001 0.000 0.268 841 T C 2.417 176.927 174.700 -0.316 0.000 1.034 841 T CA 1.961 63.908 62.100 -0.255 0.000 1.149 841 T CB -0.933 67.760 68.868 -0.293 0.000 0.860 841 T HN 0.536 nan 8.240 nan 0.000 0.449 842 G N 2.089 110.609 108.800 -0.467 0.000 2.491 842 G HA2 -0.197 3.764 3.960 0.001 0.000 0.218 842 G HA3 -0.197 3.764 3.960 0.001 0.000 0.218 842 G C 1.449 176.284 174.900 -0.108 0.000 1.180 842 G CA 0.803 45.749 45.100 -0.256 0.000 0.774 842 G HN 0.418 nan 8.290 nan 0.000 0.562 843 I N 0.955 121.429 120.570 -0.159 0.000 2.226 843 I HA -0.083 4.088 4.170 0.001 0.000 0.245 843 I C 2.830 178.799 176.117 -0.247 0.000 1.100 843 I CA 0.717 61.901 61.300 -0.195 0.000 1.374 843 I CB -1.088 36.821 38.000 -0.152 0.000 1.057 843 I HN 0.197 nan 8.210 nan 0.000 0.413 844 I N 1.172 121.628 120.570 -0.190 0.000 2.069 844 I HA -0.345 3.826 4.170 0.001 0.000 0.237 844 I C 2.552 178.546 176.117 -0.204 0.000 1.053 844 I CA 1.887 63.090 61.300 -0.162 0.000 1.311 844 I CB -0.325 37.612 38.000 -0.106 0.000 1.030 844 I HN 0.100 nan 8.210 nan 0.000 0.398 845 I N -0.048 120.419 120.570 -0.172 0.000 2.423 845 I HA -0.298 3.872 4.170 0.001 0.000 0.254 845 I C 2.641 178.332 176.117 -0.710 0.000 1.151 845 I CA 1.200 62.402 61.300 -0.165 0.000 1.421 845 I CB -0.492 37.572 38.000 0.107 0.000 1.079 845 I HN 0.247 nan 8.210 nan 0.000 0.431 846 S N 0.816 115.947 115.700 -0.949 0.000 2.423 846 S HA -0.070 4.401 4.470 0.001 0.000 0.231 846 S C 1.883 176.012 174.600 -0.786 0.000 1.014 846 S CA 0.907 58.156 58.200 -1.585 0.000 0.965 846 S CB -0.035 62.750 63.200 -0.692 0.000 0.785 846 S HN 0.249 nan 8.310 nan 0.000 0.495 847 L N 1.829 122.780 121.223 -0.453 0.000 2.095 847 L HA 0.231 4.572 4.340 0.001 0.000 0.204 847 L C 1.990 178.763 176.870 -0.163 0.000 1.080 847 L CA 1.201 55.866 54.840 -0.292 0.000 0.759 847 L CB -0.658 41.277 42.059 -0.207 0.000 0.914 847 L HN 0.552 nan 8.230 nan 0.000 0.439 848 I N -3.852 116.649 120.570 -0.116 0.000 3.605 848 I HA -0.097 4.074 4.170 0.001 0.000 0.301 848 I C 1.513 177.742 176.117 0.185 0.000 1.267 848 I CA 0.240 61.568 61.300 0.047 0.000 1.236 848 I CB -0.561 37.480 38.000 0.069 0.000 1.010 848 I HN 0.128 nan 8.210 nan 0.000 0.491 849 Y N 2.085 122.390 120.300 0.008 0.000 3.116 849 Y HA 0.192 4.743 4.550 0.001 0.000 0.208 849 Y C 1.938 177.873 175.900 0.059 0.000 0.836 849 Y CA 0.094 58.196 58.100 0.003 0.000 0.881 849 Y CB -0.203 38.232 38.460 -0.043 0.000 1.086 849 Y HN 0.223 nan 8.280 nan 0.000 0.556 850 G N -2.750 106.231 108.800 0.301 0.000 5.371 850 G HA2 0.073 4.034 3.960 0.001 0.000 0.208 850 G HA3 0.073 4.034 3.960 0.001 0.000 0.208 850 G C -0.997 174.144 174.900 0.401 0.000 0.815 850 G CA -0.372 44.913 45.100 0.308 0.000 0.735 850 G HN 0.726 nan 8.290 nan 0.000 0.284 851 W N -0.032 121.285 121.300 0.029 0.000 3.275 851 W HA -0.310 4.352 4.660 0.004 0.000 0.278 851 W C 1.469 177.942 176.519 -0.076 0.000 1.045 851 W CA 1.326 58.669 57.345 -0.003 0.000 0.611 851 W CB -1.349 28.113 29.460 0.004 0.000 2.065 851 W HN 0.422 nan 8.180 nan 0.000 1.526 852 Q N -1.240 118.560 119.800 -0.000 0.000 2.387 852 Q HA 0.144 4.484 4.340 0.001 0.000 0.208 852 Q C 2.284 178.085 176.000 -0.331 0.000 0.935 852 Q CA 0.768 56.391 55.803 -0.299 0.000 0.891 852 Q CB -0.779 27.575 28.738 -0.640 0.000 1.007 852 Q HN 0.237 nan 8.270 nan 0.000 0.548 853 L N 0.966 122.005 121.223 -0.306 0.000 2.027 853 L HA -0.083 4.258 4.340 0.001 0.000 0.206 853 L C 2.335 179.090 176.870 -0.191 0.000 1.074 853 L CA 1.756 56.405 54.840 -0.318 0.000 0.745 853 L CB -2.110 39.687 42.059 -0.437 0.000 0.898 853 L HN 0.195 nan 8.230 nan 0.000 0.433 854 T N 0.951 115.495 114.554 -0.018 0.000 2.624 854 T HA -0.243 4.107 4.350 0.001 0.000 0.268 854 T C 1.978 176.712 174.700 0.055 0.000 1.041 854 T CA 1.890 64.101 62.100 0.186 0.000 1.159 854 T CB -0.450 68.538 68.868 0.200 0.000 0.863 854 T HN 0.148 nan 8.240 nan 0.000 0.434 855 L N 0.658 121.902 121.223 0.033 0.000 2.007 855 L HA 0.149 4.489 4.340 0.001 0.000 0.205 855 L C 2.296 179.177 176.870 0.020 0.000 1.073 855 L CA 1.384 56.243 54.840 0.033 0.000 0.744 855 L CB -0.998 41.101 42.059 0.066 0.000 0.898 855 L HN 0.183 nan 8.230 nan 0.000 0.435 856 L N -0.678 120.573 121.223 0.045 0.000 2.051 856 L HA -0.264 4.076 4.340 0.001 0.000 0.214 856 L C 2.385 179.226 176.870 -0.048 0.000 1.076 856 L CA 2.233 57.106 54.840 0.055 0.000 0.758 856 L CB -0.664 41.516 42.059 0.201 0.000 0.890 856 L HN 0.449 nan 8.230 nan 0.000 0.433 857 L N -1.030 120.134 121.223 -0.099 0.000 2.005 857 L HA -0.179 4.162 4.340 0.001 0.000 0.207 857 L C 2.444 179.256 176.870 -0.098 0.000 1.072 857 L CA 1.689 56.435 54.840 -0.157 0.000 0.744 857 L CB -0.363 41.569 42.059 -0.211 0.000 0.895 857 L HN 0.482 nan 8.230 nan 0.000 0.433 858 L N -0.544 120.653 121.223 -0.043 0.000 2.187 858 L HA -0.070 4.271 4.340 0.001 0.000 0.213 858 L C 2.516 179.366 176.870 -0.033 0.000 1.100 858 L CA 1.895 56.721 54.840 -0.024 0.000 0.765 858 L CB -1.877 40.180 42.059 -0.004 0.000 0.904 858 L HN 0.166 nan 8.230 nan 0.000 0.437 859 A N 0.510 123.307 122.820 -0.038 0.000 1.873 859 A HA -0.051 4.270 4.320 0.001 0.000 0.215 859 A C 2.257 179.810 177.584 -0.052 0.000 1.186 859 A CA 1.812 53.825 52.037 -0.040 0.000 0.616 859 A CB -0.661 18.314 19.000 -0.042 0.000 0.823 859 A HN 0.402 nan 8.150 nan 0.000 0.442 860 I N -0.034 120.488 120.570 -0.079 0.000 2.286 860 I HA -0.160 4.010 4.170 0.001 0.000 0.248 860 I C 2.465 178.537 176.117 -0.074 0.000 1.115 860 I CA 1.131 62.374 61.300 -0.095 0.000 1.392 860 I CB -1.270 36.631 38.000 -0.165 0.000 1.065 860 I HN 0.133 nan 8.210 nan 0.000 0.418 861 V N 1.763 121.632 119.914 -0.075 0.000 2.239 861 V HA -0.098 4.023 4.120 0.001 0.000 0.242 861 V C -0.208 175.877 176.094 -0.015 0.000 1.038 861 V CA 1.795 64.067 62.300 -0.046 0.000 1.002 861 V CB -1.891 29.907 31.823 -0.041 0.000 0.641 861 V HN 0.203 nan 8.190 nan 0.000 0.449 862 P HA -0.123 nan 4.420 nan 0.000 0.219 862 P C 1.723 179.026 177.300 0.005 0.000 1.146 862 P CA 1.314 64.412 63.100 -0.004 0.000 0.808 862 P CB 0.004 31.698 31.700 -0.009 0.000 0.779 863 I N -0.770 119.802 120.570 0.003 0.000 2.193 863 I HA -0.162 4.008 4.170 0.001 0.000 0.240 863 I C 2.139 178.288 176.117 0.054 0.000 1.084 863 I CA 1.480 62.794 61.300 0.023 0.000 1.365 863 I CB -1.468 36.539 38.000 0.011 0.000 1.064 863 I HN -0.008 nan 8.210 nan 0.000 0.410 864 I N 0.354 120.955 120.570 0.052 0.000 2.454 864 I HA -0.066 4.105 4.170 0.001 0.000 0.254 864 I C 2.534 178.700 176.117 0.082 0.000 1.156 864 I CA 1.432 62.785 61.300 0.089 0.000 1.433 864 I CB -1.345 36.705 38.000 0.084 0.000 1.082 864 I HN 0.016 nan 8.210 nan 0.000 0.432 865 A N 1.875 124.726 122.820 0.051 0.000 1.858 865 A HA -0.072 4.248 4.320 0.001 0.000 0.216 865 A C 2.376 179.984 177.584 0.040 0.000 1.190 865 A CA 2.173 54.236 52.037 0.043 0.000 0.617 865 A CB -1.121 17.894 19.000 0.024 0.000 0.827 865 A HN 0.519 nan 8.150 nan 0.000 0.443 866 I N -0.211 120.379 120.570 0.034 0.000 2.454 866 I HA -0.262 3.908 4.170 0.001 0.000 0.254 866 I C 2.800 178.936 176.117 0.032 0.000 1.156 866 I CA 0.939 62.254 61.300 0.024 0.000 1.433 866 I CB -0.273 37.738 38.000 0.018 0.000 1.082 866 I HN 0.377 nan 8.210 nan 0.000 0.432 867 A N 0.735 123.597 122.820 0.069 0.000 2.014 867 A HA -0.002 4.319 4.320 0.001 0.000 0.218 867 A C 2.400 180.027 177.584 0.072 0.000 1.163 867 A CA 1.492 53.584 52.037 0.091 0.000 0.652 867 A CB -0.998 18.127 19.000 0.208 0.000 0.808 867 A HN 0.438 nan 8.150 nan 0.000 0.449 868 G N -0.553 108.290 108.800 0.072 0.000 2.396 868 G HA2 -0.019 3.942 3.960 0.001 0.000 0.214 868 G HA3 -0.019 3.942 3.960 0.001 0.000 0.214 868 G C 1.460 176.375 174.900 0.025 0.000 1.166 868 G CA 1.117 46.253 45.100 0.060 0.000 0.793 868 G HN 0.270 nan 8.290 nan 0.000 0.533 869 V N 0.435 120.360 119.914 0.017 0.000 2.358 869 V HA -0.132 3.989 4.120 0.001 0.000 0.246 869 V C 2.815 178.899 176.094 -0.017 0.000 1.047 869 V CA 1.504 63.804 62.300 0.001 0.000 1.035 869 V CB -0.304 31.519 31.823 0.000 0.000 0.658 869 V HN 0.230 nan 8.190 nan 0.000 0.452 870 V N 0.131 120.030 119.914 -0.024 0.000 2.759 870 V HA -0.216 3.905 4.120 0.001 0.000 0.256 870 V C 2.393 178.445 176.094 -0.070 0.000 1.080 870 V CA 2.379 64.649 62.300 -0.050 0.000 1.101 870 V CB -0.075 31.709 31.823 -0.064 0.000 0.698 870 V HN 0.768 nan 8.190 nan 0.000 0.477 871 E N -0.327 119.841 120.200 -0.053 0.000 2.017 871 E HA -0.276 4.075 4.350 0.001 0.000 0.193 871 E C 2.287 178.825 176.600 -0.103 0.000 0.997 871 E CA 2.021 58.376 56.400 -0.075 0.000 0.804 871 E CB -0.363 29.323 29.700 -0.023 0.000 0.757 871 E HN 0.587 nan 8.360 nan 0.000 0.448 872 M N 0.840 120.402 119.600 -0.064 0.000 2.082 872 M HA -0.244 4.237 4.480 0.001 0.000 0.258 872 M C 2.363 178.624 176.300 -0.065 0.000 1.071 872 M CA 2.100 57.366 55.300 -0.057 0.000 1.103 872 M CB -0.391 32.197 32.600 -0.020 0.000 1.307 872 M HN -0.029 nan 8.290 nan 0.000 0.409 873 K N 0.540 120.908 120.400 -0.052 0.000 2.052 873 K HA -0.260 4.060 4.320 0.001 0.000 0.215 873 K C 1.861 178.417 176.600 -0.072 0.000 1.053 873 K CA 2.529 58.787 56.287 -0.049 0.000 0.934 873 K CB -0.753 31.721 32.500 -0.044 0.000 0.717 873 K HN 0.370 nan 8.250 nan 0.000 0.450 874 M N 0.322 119.857 119.600 -0.107 0.000 2.108 874 M HA -0.076 4.405 4.480 0.001 0.000 0.261 874 M C 1.976 178.162 176.300 -0.190 0.000 1.066 874 M CA 1.488 56.703 55.300 -0.141 0.000 1.107 874 M CB -0.432 32.062 32.600 -0.177 0.000 1.356 874 M HN 0.371 nan 8.290 nan 0.000 0.406 875 L N -1.169 119.908 121.223 -0.244 0.000 2.017 875 L HA -0.222 4.118 4.340 0.001 0.000 0.208 875 L C 2.111 178.941 176.870 -0.066 0.000 1.073 875 L CA 1.744 56.413 54.840 -0.285 0.000 0.745 875 L CB -0.435 41.470 42.059 -0.258 0.000 0.894 875 L HN 0.308 nan 8.230 nan 0.000 0.432 876 S N -0.065 115.616 115.700 -0.031 0.000 2.368 876 S HA -0.116 4.355 4.470 0.001 0.000 0.225 876 S C 1.843 176.459 174.600 0.027 0.000 1.030 876 S CA 1.028 59.240 58.200 0.019 0.000 0.999 876 S CB -0.792 62.417 63.200 0.015 0.000 0.844 876 S HN 0.722 nan 8.310 nan 0.000 0.459 877 G N 1.866 110.666 108.800 0.000 0.000 2.514 877 G HA2 -0.254 3.707 3.960 0.001 0.000 0.217 877 G HA3 -0.254 3.707 3.960 0.001 0.000 0.217 877 G C 1.352 176.275 174.900 0.038 0.000 1.198 877 G CA 0.827 45.933 45.100 0.010 0.000 0.780 877 G HN 0.355 nan 8.290 nan 0.000 0.565 878 Q N 0.496 120.323 119.800 0.045 0.000 2.135 878 Q HA -0.107 4.234 4.340 0.001 0.000 0.204 878 Q C 2.989 179.077 176.000 0.146 0.000 0.981 878 Q CA 1.538 57.410 55.803 0.114 0.000 0.856 878 Q CB -0.750 28.108 28.738 0.201 0.000 0.902 878 Q HN 0.471 nan 8.270 nan 0.000 0.425 879 A N 0.747 123.658 122.820 0.153 0.000 1.902 879 A HA -0.173 4.148 4.320 0.001 0.000 0.217 879 A C 2.147 179.791 177.584 0.101 0.000 1.181 879 A CA 1.366 53.493 52.037 0.149 0.000 0.623 879 A CB -0.645 18.444 19.000 0.148 0.000 0.818 879 A HN 0.319 nan 8.150 nan 0.000 0.443 880 L N 0.773 122.042 121.223 0.077 0.000 1.988 880 L HA -0.185 4.156 4.340 0.001 0.000 0.207 880 L C 2.610 179.514 176.870 0.057 0.000 1.071 880 L CA 2.847 57.722 54.840 0.059 0.000 0.744 880 L CB -0.689 41.396 42.059 0.045 0.000 0.893 880 L HN 0.583 nan 8.230 nan 0.000 0.433 881 K N -1.160 119.273 120.400 0.055 0.000 2.074 881 K HA -0.273 4.047 4.320 0.001 0.000 0.209 881 K C 1.859 178.495 176.600 0.060 0.000 1.048 881 K CA 2.080 58.398 56.287 0.051 0.000 0.926 881 K CB -0.910 31.619 32.500 0.048 0.000 0.713 881 K HN 0.384 nan 8.250 nan 0.000 0.444 882 D N 0.922 121.368 120.400 0.076 0.000 2.097 882 D HA -0.125 4.516 4.640 0.001 0.000 0.195 882 D C 1.674 178.017 176.300 0.071 0.000 0.989 882 D CA 1.179 55.228 54.000 0.081 0.000 0.827 882 D CB 0.135 40.995 40.800 0.100 0.000 0.966 882 D HN 0.079 nan 8.370 nan 0.000 0.456 883 K N 0.378 120.819 120.400 0.069 0.000 2.281 883 K HA -0.099 4.222 4.320 0.001 0.000 0.203 883 K C 1.886 178.514 176.600 0.047 0.000 1.046 883 K CA 0.679 57.001 56.287 0.058 0.000 0.938 883 K CB -0.042 32.491 32.500 0.055 0.000 0.737 883 K HN 0.267 nan 8.250 nan 0.000 0.458 884 K N 0.972 121.400 120.400 0.046 0.000 2.067 884 K HA -0.039 4.282 4.320 0.001 0.000 0.203 884 K C 2.043 178.668 176.600 0.041 0.000 1.048 884 K CA 0.918 57.228 56.287 0.039 0.000 0.954 884 K CB 0.007 32.528 32.500 0.036 0.000 0.737 884 K HN 0.296 nan 8.250 nan 0.000 0.444 885 E N 1.390 121.619 120.200 0.049 0.000 2.047 885 E HA -0.174 4.176 4.350 0.001 0.000 0.191 885 E C 2.007 178.643 176.600 0.059 0.000 0.987 885 E CA 1.249 57.681 56.400 0.054 0.000 0.799 885 E CB -0.383 29.353 29.700 0.060 0.000 0.752 885 E HN 0.174 nan 8.360 nan 0.000 0.449 886 L N 0.460 121.720 121.223 0.062 0.000 2.131 886 L HA -0.097 4.244 4.340 0.001 0.000 0.210 886 L C 2.148 179.047 176.870 0.048 0.000 1.092 886 L CA 1.783 56.662 54.840 0.065 0.000 0.759 886 L CB -0.770 41.329 42.059 0.067 0.000 0.903 886 L HN 0.028 nan 8.230 nan 0.000 0.435 887 E N 0.782 121.003 120.200 0.036 0.000 2.012 887 E HA -0.182 4.169 4.350 0.001 0.000 0.197 887 E C 2.237 178.840 176.600 0.006 0.000 1.007 887 E CA 1.418 57.827 56.400 0.015 0.000 0.816 887 E CB -0.656 29.054 29.700 0.016 0.000 0.762 887 E HN 0.538 nan 8.360 nan 0.000 0.451 888 G N 0.455 109.268 108.800 0.021 0.000 2.649 888 G HA2 -0.384 3.576 3.960 0.001 0.000 0.220 888 G HA3 -0.384 3.576 3.960 0.001 0.000 0.220 888 G C 1.771 176.681 174.900 0.017 0.000 1.189 888 G CA 1.575 46.688 45.100 0.023 0.000 0.777 888 G HN 0.356 nan 8.290 nan 0.000 0.602 889 S N 0.752 116.481 115.700 0.047 0.000 2.374 889 S HA -0.106 4.364 4.470 0.001 0.000 0.227 889 S C 2.466 177.038 174.600 -0.047 0.000 1.037 889 S CA 1.414 59.652 58.200 0.063 0.000 1.024 889 S CB -0.705 62.568 63.200 0.122 0.000 0.861 889 S HN 0.636 nan 8.310 nan 0.000 0.456 890 G N 1.298 110.077 108.800 -0.035 0.000 2.448 890 G HA2 -0.113 3.847 3.960 0.001 0.000 0.218 890 G HA3 -0.113 3.847 3.960 0.001 0.000 0.218 890 G C 1.401 176.182 174.900 -0.198 0.000 1.135 890 G CA 0.404 45.434 45.100 -0.117 0.000 0.784 890 G HN 0.424 nan 8.290 nan 0.000 0.543 891 K N 0.180 120.497 120.400 -0.138 0.000 2.031 891 K HA 0.035 4.356 4.320 0.001 0.000 0.205 891 K C 2.506 178.993 176.600 -0.188 0.000 1.049 891 K CA 1.230 57.438 56.287 -0.131 0.000 0.939 891 K CB -0.268 32.193 32.500 -0.064 0.000 0.717 891 K HN 0.476 nan 8.250 nan 0.000 0.438 892 I N -0.084 120.362 120.570 -0.207 0.000 2.113 892 I HA -0.198 3.973 4.170 0.001 0.000 0.238 892 I C 2.545 178.300 176.117 -0.603 0.000 1.070 892 I CA 1.373 62.516 61.300 -0.261 0.000 1.332 892 I CB -1.095 36.883 38.000 -0.038 0.000 1.044 892 I HN -0.031 nan 8.210 nan 0.000 0.402 893 A N 1.562 123.759 122.820 -1.040 0.000 1.909 893 A HA -0.287 4.034 4.320 0.001 0.000 0.221 893 A C 2.401 179.572 177.584 -0.688 0.000 1.223 893 A CA 3.384 54.737 52.037 -1.140 0.000 0.658 893 A CB -1.639 16.665 19.000 -1.160 0.000 0.831 893 A HN 0.599 nan 8.150 nan 0.000 0.462 894 T N -0.807 113.442 114.554 -0.509 0.000 2.555 894 T HA -0.236 4.115 4.350 0.001 0.000 0.264 894 T C 1.819 176.363 174.700 -0.259 0.000 1.083 894 T CA 1.697 63.588 62.100 -0.350 0.000 1.179 894 T CB -0.467 68.255 68.868 -0.243 0.000 0.863 894 T HN 0.713 nan 8.240 nan 0.000 0.412 895 E N 0.806 120.883 120.200 -0.206 0.000 2.200 895 E HA -0.324 4.027 4.350 0.001 0.000 0.211 895 E C 2.166 178.718 176.600 -0.080 0.000 1.048 895 E CA 1.576 57.905 56.400 -0.118 0.000 0.851 895 E CB -0.264 29.399 29.700 -0.062 0.000 0.747 895 E HN 0.515 nan 8.360 nan 0.000 0.462 896 A N 0.694 123.421 122.820 -0.155 0.000 1.854 896 A HA -0.124 4.197 4.320 0.001 0.000 0.214 896 A C 2.151 179.735 177.584 0.001 0.000 1.192 896 A CA 1.567 53.599 52.037 -0.009 0.000 0.611 896 A CB -0.697 18.197 19.000 -0.177 0.000 0.832 896 A HN 0.424 nan 8.150 nan 0.000 0.442 897 I N -0.962 119.489 120.570 -0.199 0.000 2.361 897 I HA -0.171 4.000 4.170 0.001 0.000 0.251 897 I C 2.007 178.082 176.117 -0.071 0.000 1.133 897 I CA 2.302 63.424 61.300 -0.296 0.000 1.413 897 I CB -0.805 36.905 38.000 -0.483 0.000 1.073 897 I HN 0.509 nan 8.210 nan 0.000 0.424 898 E N 1.252 121.428 120.200 -0.040 0.000 2.107 898 E HA -0.151 4.199 4.350 0.001 0.000 0.191 898 E C 0.581 177.273 176.600 0.153 0.000 0.982 898 E CA 0.793 57.228 56.400 0.059 0.000 0.809 898 E CB -0.020 29.673 29.700 -0.012 0.000 0.756 898 E HN 0.567 nan 8.360 nan 0.000 0.459 899 N N 1.558 120.303 118.700 0.075 0.000 2.994 899 N HA 0.026 4.767 4.740 0.001 0.000 0.306 899 N C 0.525 176.077 175.510 0.070 0.000 1.348 899 N CA -0.092 52.952 53.050 -0.010 0.000 1.109 899 N CB 0.012 38.395 38.487 -0.172 0.000 1.415 899 N HN 0.264 nan 8.380 nan 0.000 0.529 900 F N 1.070 121.188 119.950 0.280 0.000 2.214 900 F HA -0.232 4.295 4.527 0.001 0.000 0.302 900 F C 1.844 177.802 175.800 0.263 0.000 1.063 900 F CA 0.944 59.244 58.000 0.500 0.000 1.319 900 F CB -0.270 39.169 39.000 0.732 0.000 1.046 900 F HN -0.057 nan 8.300 nan 0.000 0.505 901 R N 0.786 120.663 120.500 -1.039 0.000 2.178 901 R HA -0.243 4.098 4.340 0.001 0.000 0.257 901 R C 2.482 178.693 176.300 -0.148 0.000 1.163 901 R CA 1.890 57.531 56.100 -0.764 0.000 0.981 901 R CB -1.717 28.262 30.300 -0.536 0.000 0.878 901 R HN 0.642 nan 8.270 nan 0.000 0.454 902 T N -0.256 114.363 114.554 0.108 0.000 2.564 902 T HA -0.277 4.074 4.350 0.001 0.000 0.264 902 T C 1.838 176.613 174.700 0.124 0.000 1.100 902 T CA 2.358 64.602 62.100 0.240 0.000 1.171 902 T CB -0.707 68.396 68.868 0.393 0.000 0.863 902 T HN 0.147 nan 8.240 nan 0.000 0.430 903 V N 1.056 121.103 119.914 0.222 0.000 2.409 903 V HA -0.192 3.929 4.120 0.001 0.000 0.261 903 V C 2.613 178.754 176.094 0.079 0.000 1.099 903 V CA 2.504 64.920 62.300 0.193 0.000 1.100 903 V CB -0.995 30.979 31.823 0.250 0.000 0.677 903 V HN 0.587 nan 8.190 nan 0.000 0.460 904 V N -0.371 119.570 119.914 0.045 0.000 2.370 904 V HA -0.280 3.841 4.120 0.001 0.000 0.252 904 V C 2.412 178.511 176.094 0.009 0.000 1.068 904 V CA 3.067 65.376 62.300 0.015 0.000 1.061 904 V CB -0.210 31.606 31.823 -0.010 0.000 0.656 904 V HN 0.766 nan 8.190 nan 0.000 0.455 905 S N -1.636 114.064 115.700 -0.000 0.000 2.497 905 S HA 0.198 4.669 4.470 0.001 0.000 0.221 905 S C 1.497 176.066 174.600 -0.051 0.000 1.037 905 S CA 0.509 58.691 58.200 -0.030 0.000 0.920 905 S CB 0.382 63.553 63.200 -0.048 0.000 0.800 905 S HN 0.579 nan 8.310 nan 0.000 0.505 906 L N 1.519 122.718 121.223 -0.041 0.000 5.146 906 L HA -0.262 4.079 4.340 0.001 0.000 0.452 906 L C 0.551 177.356 176.870 -0.110 0.000 1.055 906 L CA 1.398 56.215 54.840 -0.037 0.000 0.960 906 L CB -1.720 40.342 42.059 0.005 0.000 1.736 906 L HN 0.477 nan 8.230 nan 0.000 0.812 907 T N -1.534 112.934 114.554 -0.144 0.000 4.320 907 T HA 0.309 4.660 4.350 0.001 0.000 0.221 907 T C 1.100 175.616 174.700 -0.307 0.000 0.896 907 T CA 0.155 62.150 62.100 -0.176 0.000 0.928 907 T CB -0.065 68.717 68.868 -0.142 0.000 1.369 907 T HN 0.708 nan 8.240 nan 0.000 0.836 908 R N -0.913 119.368 120.500 -0.364 0.000 1.905 908 R HA 0.058 4.398 4.340 0.001 0.000 0.071 908 R C 0.822 176.839 176.300 -0.473 0.000 0.819 908 R CA 0.255 55.983 56.100 -0.620 0.000 2.878 908 R CB -0.599 28.947 30.300 -1.257 0.000 1.157 908 R HN 0.306 nan 8.270 nan 0.000 0.526 909 E N 2.244 122.297 120.200 -0.246 0.000 2.237 909 E HA -0.314 4.037 4.350 0.001 0.000 0.249 909 E C 1.678 178.313 176.600 0.058 0.000 1.035 909 E CA 3.010 59.402 56.400 -0.014 0.000 0.992 909 E CB -0.412 29.327 29.700 0.065 0.000 0.899 909 E HN 0.377 nan 8.360 nan 0.000 0.525 910 Q N 0.406 120.235 119.800 0.048 0.000 2.002 910 Q HA -0.205 4.135 4.340 0.001 0.000 0.204 910 Q C 1.923 177.921 176.000 -0.004 0.000 0.988 910 Q CA 2.204 58.040 55.803 0.055 0.000 0.843 910 Q CB -0.392 28.352 28.738 0.011 0.000 0.908 910 Q HN 0.141 nan 8.270 nan 0.000 0.420 911 K N -0.001 120.346 120.400 -0.088 0.000 2.108 911 K HA -0.242 4.079 4.320 0.001 0.000 0.219 911 K C 2.015 178.563 176.600 -0.088 0.000 1.054 911 K CA 2.067 58.275 56.287 -0.132 0.000 0.945 911 K CB -1.015 31.336 32.500 -0.247 0.000 0.728 911 K HN 0.397 nan 8.250 nan 0.000 0.462 912 F N 1.222 121.022 119.950 -0.250 0.000 1.988 912 F HA -0.234 4.294 4.527 0.001 0.000 0.296 912 F C 2.620 178.107 175.800 -0.521 0.000 1.178 912 F CA 0.943 58.721 58.000 -0.370 0.000 1.174 912 F CB -0.282 38.681 39.000 -0.062 0.000 0.963 912 F HN 0.151 nan 8.300 nan 0.000 0.489 913 E N 0.130 120.453 120.200 0.206 0.000 2.236 913 E HA -0.234 4.117 4.350 0.001 0.000 0.205 913 E C 1.863 178.490 176.600 0.045 0.000 1.028 913 E CA 1.886 58.469 56.400 0.305 0.000 0.827 913 E CB -1.170 28.718 29.700 0.313 0.000 0.735 913 E HN 0.445 nan 8.360 nan 0.000 0.470 914 T N 1.335 115.857 114.554 -0.054 0.000 2.643 914 T HA -0.141 4.210 4.350 0.001 0.000 0.264 914 T C 2.060 176.687 174.700 -0.122 0.000 1.045 914 T CA 1.706 63.764 62.100 -0.070 0.000 1.155 914 T CB -0.248 68.580 68.868 -0.066 0.000 0.863 914 T HN 0.179 nan 8.240 nan 0.000 0.420 915 M N 0.174 119.616 119.600 -0.264 0.000 2.106 915 M HA -0.160 4.321 4.480 0.001 0.000 0.259 915 M C 2.098 178.295 176.300 -0.171 0.000 1.068 915 M CA 1.847 56.981 55.300 -0.277 0.000 1.100 915 M CB -0.665 31.676 32.600 -0.432 0.000 1.351 915 M HN 0.312 nan 8.290 nan 0.000 0.404 916 Y N -0.168 120.183 120.300 0.085 0.000 2.373 916 Y HA 0.077 4.628 4.550 0.001 0.000 0.293 916 Y C 2.620 178.526 175.900 0.010 0.000 1.129 916 Y CA 0.567 58.719 58.100 0.086 0.000 1.226 916 Y CB -1.491 37.104 38.460 0.226 0.000 1.000 916 Y HN 0.209 nan 8.280 nan 0.000 0.549 917 A N 0.243 123.109 122.820 0.077 0.000 1.902 917 A HA -0.182 4.139 4.320 0.001 0.000 0.217 917 A C 2.193 179.822 177.584 0.074 0.000 1.181 917 A CA 1.332 53.387 52.037 0.030 0.000 0.623 917 A CB -0.414 18.589 19.000 0.005 0.000 0.818 917 A HN 0.310 nan 8.150 nan 0.000 0.443 918 Q N 0.706 120.541 119.800 0.058 0.000 1.975 918 Q HA -0.189 4.151 4.340 0.001 0.000 0.205 918 Q C 2.611 178.663 176.000 0.088 0.000 0.990 918 Q CA 2.177 58.017 55.803 0.061 0.000 0.845 918 Q CB -1.214 27.545 28.738 0.036 0.000 0.913 918 Q HN 0.814 nan 8.270 nan 0.000 0.420 919 S N 1.629 117.396 115.700 0.111 0.000 2.369 919 S HA -0.170 4.301 4.470 0.001 0.000 0.225 919 S C 2.080 176.749 174.600 0.116 0.000 1.043 919 S CA 1.275 59.546 58.200 0.119 0.000 1.074 919 S CB -0.739 62.557 63.200 0.161 0.000 0.962 919 S HN 0.223 nan 8.310 nan 0.000 0.433 920 L N 2.368 123.664 121.223 0.122 0.000 2.051 920 L HA -0.237 4.104 4.340 0.001 0.000 0.214 920 L C 3.053 180.036 176.870 0.189 0.000 1.076 920 L CA 2.415 57.332 54.840 0.128 0.000 0.758 920 L CB -1.752 40.344 42.059 0.062 0.000 0.890 920 L HN 0.681 nan 8.230 nan 0.000 0.433 921 Q N -0.299 119.609 119.800 0.181 0.000 2.029 921 Q HA -0.264 4.077 4.340 0.001 0.000 0.209 921 Q C 2.220 178.287 176.000 0.113 0.000 0.999 921 Q CA 2.152 58.054 55.803 0.164 0.000 0.857 921 Q CB -0.007 28.794 28.738 0.106 0.000 0.926 921 Q HN 0.355 nan 8.270 nan 0.000 0.415 922 I N 0.845 121.465 120.570 0.084 0.000 2.099 922 I HA -0.197 3.973 4.170 0.001 0.000 0.239 922 I C -0.488 175.673 176.117 0.073 0.000 1.066 922 I CA 1.261 62.595 61.300 0.058 0.000 1.324 922 I CB -2.378 35.652 38.000 0.051 0.000 1.037 922 I HN 0.219 nan 8.210 nan 0.000 0.401 923 P HA -0.149 nan 4.420 nan 0.000 0.236 923 P C 1.512 178.899 177.300 0.145 0.000 1.172 923 P CA 1.122 64.284 63.100 0.102 0.000 0.759 923 P CB -0.306 31.453 31.700 0.098 0.000 0.843 924 Y N -0.041 120.230 120.300 -0.048 0.000 2.230 924 Y HA -0.019 4.532 4.550 0.001 0.000 0.294 924 Y C 2.311 178.146 175.900 -0.108 0.000 1.120 924 Y CA 0.426 58.442 58.100 -0.140 0.000 1.129 924 Y CB 0.114 38.351 38.460 -0.372 0.000 1.040 924 Y HN -0.279 nan 8.280 nan 0.000 0.519 925 R N 0.630 121.047 120.500 -0.138 0.000 2.091 925 R HA -0.221 4.120 4.340 0.001 0.000 0.238 925 R C 2.053 178.304 176.300 -0.081 0.000 1.136 925 R CA 1.448 57.418 56.100 -0.216 0.000 0.959 925 R CB -0.645 29.561 30.300 -0.156 0.000 0.856 925 R HN 0.429 nan 8.270 nan 0.000 0.437 926 N N 1.053 119.748 118.700 -0.008 0.000 2.223 926 N HA -0.137 4.604 4.740 0.001 0.000 0.185 926 N C 1.512 177.055 175.510 0.055 0.000 1.016 926 N CA 1.445 54.510 53.050 0.026 0.000 0.863 926 N CB 0.047 38.561 38.487 0.044 0.000 0.983 926 N HN 0.211 nan 8.380 nan 0.000 0.429 927 A N 0.822 123.691 122.820 0.082 0.000 2.015 927 A HA -0.042 4.279 4.320 0.001 0.000 0.219 927 A C 2.379 180.010 177.584 0.079 0.000 1.163 927 A CA 0.835 52.932 52.037 0.100 0.000 0.646 927 A CB -0.294 18.800 19.000 0.156 0.000 0.806 927 A HN 0.328 nan 8.150 nan 0.000 0.448 928 M N -0.732 118.892 119.600 0.040 0.000 2.081 928 M HA -0.108 4.372 4.480 0.001 0.000 0.261 928 M C 2.290 178.622 176.300 0.053 0.000 1.075 928 M CA 1.985 57.295 55.300 0.016 0.000 1.133 928 M CB -0.478 32.075 32.600 -0.079 0.000 1.330 928 M HN 0.489 nan 8.290 nan 0.000 0.414 929 K N 1.803 122.221 120.400 0.031 0.000 1.980 929 K HA -0.267 4.053 4.320 0.001 0.000 0.223 929 K C 1.908 178.577 176.600 0.116 0.000 1.052 929 K CA 2.653 58.965 56.287 0.042 0.000 0.974 929 K CB -0.393 32.113 32.500 0.009 0.000 0.734 929 K HN 0.346 nan 8.250 nan 0.000 0.447 930 K N 0.203 120.680 120.400 0.127 0.000 2.189 930 K HA -0.212 4.109 4.320 0.001 0.000 0.207 930 K C 1.921 178.696 176.600 0.293 0.000 1.046 930 K CA 1.560 57.982 56.287 0.225 0.000 0.928 930 K CB -0.483 32.157 32.500 0.234 0.000 0.720 930 K HN 0.274 nan 8.250 nan 0.000 0.458 931 A N 2.766 125.681 122.820 0.159 0.000 1.837 931 A HA -0.296 4.025 4.320 0.001 0.000 0.216 931 A C 2.288 180.024 177.584 0.253 0.000 1.210 931 A CA 1.957 54.057 52.037 0.105 0.000 0.632 931 A CB -1.455 17.593 19.000 0.081 0.000 0.843 931 A HN 0.672 nan 8.150 nan 0.000 0.448 932 H N 0.417 119.577 119.070 0.151 0.000 2.337 932 H HA -0.189 4.367 4.556 0.001 0.000 0.288 932 H C 1.968 177.483 175.328 0.312 0.000 1.117 932 H CA 2.452 58.653 56.048 0.255 0.000 1.205 932 H CB -0.921 28.969 29.762 0.212 0.000 1.353 932 H HN 0.152 nan 8.280 nan 0.000 0.480 933 V N 1.023 121.267 119.914 0.549 0.000 2.227 933 V HA -0.338 3.782 4.120 0.001 0.000 0.249 933 V C 2.626 178.926 176.094 0.343 0.000 1.046 933 V CA 2.500 65.042 62.300 0.403 0.000 1.015 933 V CB -1.290 30.688 31.823 0.259 0.000 0.648 933 V HN 0.285 nan 8.190 nan 0.000 0.460 934 F N 1.377 121.368 119.950 0.068 0.000 2.101 934 F HA -0.279 4.249 4.527 0.001 0.000 0.298 934 F C 2.303 178.164 175.800 0.102 0.000 1.076 934 F CA 1.825 59.821 58.000 -0.007 0.000 1.248 934 F CB -1.620 37.263 39.000 -0.195 0.000 0.999 934 F HN 0.246 nan 8.300 nan 0.000 0.488 935 G N 0.166 109.186 108.800 0.368 0.000 2.701 935 G HA2 -0.313 3.647 3.960 0.001 0.000 0.215 935 G HA3 -0.313 3.647 3.960 0.001 0.000 0.215 935 G C 1.778 176.924 174.900 0.409 0.000 1.297 935 G CA 0.966 46.324 45.100 0.430 0.000 0.807 935 G HN 0.451 nan 8.290 nan 0.000 0.608 936 I N 1.551 122.264 120.570 0.237 0.000 2.236 936 I HA -0.266 3.905 4.170 0.001 0.000 0.249 936 I C 3.052 179.258 176.117 0.149 0.000 1.102 936 I CA 2.437 63.761 61.300 0.040 0.000 1.365 936 I CB -0.306 37.726 38.000 0.052 0.000 1.051 936 I HN 0.463 nan 8.210 nan 0.000 0.420 937 T N -1.147 113.498 114.554 0.150 0.000 2.564 937 T HA -0.297 4.053 4.350 0.001 0.000 0.259 937 T C 1.942 176.800 174.700 0.263 0.000 1.087 937 T CA 1.647 63.817 62.100 0.117 0.000 1.184 937 T CB -1.473 67.386 68.868 -0.015 0.000 0.864 937 T HN 0.494 nan 8.240 nan 0.000 0.403 938 F N 2.806 122.795 119.950 0.065 0.000 2.063 938 F HA -0.319 4.208 4.527 0.001 0.000 0.297 938 F C 2.787 178.663 175.800 0.126 0.000 1.099 938 F CA 1.994 60.046 58.000 0.086 0.000 1.220 938 F CB -0.360 38.678 39.000 0.064 0.000 0.972 938 F HN 0.465 nan 8.300 nan 0.000 0.487 939 S N 0.884 116.660 115.700 0.126 0.000 2.365 939 S HA -0.377 4.093 4.470 0.001 0.000 0.221 939 S C 1.797 176.460 174.600 0.104 0.000 1.037 939 S CA 1.506 59.689 58.200 -0.030 0.000 1.060 939 S CB -1.824 61.381 63.200 0.008 0.000 0.974 939 S HN 0.523 nan 8.310 nan 0.000 0.427 940 F N 3.453 123.429 119.950 0.043 0.000 2.176 940 F HA -0.170 4.357 4.527 0.001 0.000 0.301 940 F C 2.288 178.160 175.800 0.120 0.000 1.071 940 F CA 1.729 59.778 58.000 0.081 0.000 1.289 940 F CB -1.189 37.855 39.000 0.074 0.000 1.028 940 F HN 0.261 nan 8.300 nan 0.000 0.494 941 T N 0.467 115.280 114.554 0.432 0.000 2.564 941 T HA -0.235 4.116 4.350 0.001 0.000 0.259 941 T C 1.830 176.678 174.700 0.246 0.000 1.087 941 T CA 1.637 63.962 62.100 0.376 0.000 1.184 941 T CB -0.432 68.692 68.868 0.428 0.000 0.864 941 T HN 0.221 nan 8.240 nan 0.000 0.403 942 Q N 1.212 121.130 119.800 0.197 0.000 2.156 942 Q HA -0.182 4.159 4.340 0.001 0.000 0.211 942 Q C 2.606 178.687 176.000 0.135 0.000 0.995 942 Q CA 1.895 57.782 55.803 0.140 0.000 0.877 942 Q CB -1.227 27.518 28.738 0.012 0.000 0.920 942 Q HN 0.601 nan 8.270 nan 0.000 0.416 943 A N 1.467 124.320 122.820 0.056 0.000 1.859 943 A HA -0.239 4.082 4.320 0.001 0.000 0.218 943 A C 2.099 179.613 177.584 -0.116 0.000 1.209 943 A CA 2.339 54.368 52.037 -0.014 0.000 0.639 943 A CB -0.634 18.253 19.000 -0.188 0.000 0.835 943 A HN 0.300 nan 8.150 nan 0.000 0.450 944 M N -1.081 118.509 119.600 -0.017 0.000 2.252 944 M HA -0.212 4.269 4.480 0.001 0.000 0.257 944 M C 2.128 178.511 176.300 0.138 0.000 1.077 944 M CA 1.576 56.931 55.300 0.091 0.000 1.066 944 M CB -1.410 31.270 32.600 0.134 0.000 1.380 944 M HN 0.653 nan 8.290 nan 0.000 0.412 945 M N 0.499 120.203 119.600 0.173 0.000 2.150 945 M HA -0.224 4.257 4.480 0.001 0.000 0.260 945 M C 2.510 179.005 176.300 0.325 0.000 1.088 945 M CA 2.071 57.543 55.300 0.287 0.000 1.108 945 M CB -1.129 31.606 32.600 0.226 0.000 1.263 945 M HN 0.344 nan 8.290 nan 0.000 0.431 946 Y N -0.140 120.186 120.300 0.043 0.000 2.102 946 Y HA -0.258 4.293 4.550 0.001 0.000 0.280 946 Y C 2.014 178.076 175.900 0.270 0.000 1.178 946 Y CA 1.810 59.940 58.100 0.051 0.000 1.146 946 Y CB -1.980 36.418 38.460 -0.104 0.000 0.968 946 Y HN 0.286 nan 8.280 nan 0.000 0.504 947 F N 1.118 120.564 119.950 -0.840 0.000 2.045 947 F HA -0.349 4.179 4.527 0.002 0.000 0.297 947 F C 2.708 178.374 175.800 -0.224 0.000 1.114 947 F CA 1.618 59.229 58.000 -0.647 0.000 1.207 947 F CB -0.601 38.037 39.000 -0.604 0.000 0.964 947 F HN 0.147 nan 8.300 nan 0.000 0.486 948 S N -0.744 115.039 115.700 0.139 0.000 2.374 948 S HA -0.260 4.211 4.470 0.001 0.000 0.227 948 S C 1.545 176.137 174.600 -0.013 0.000 1.037 948 S CA 1.641 59.853 58.200 0.020 0.000 1.024 948 S CB -0.694 62.501 63.200 -0.010 0.000 0.861 948 S HN 0.313 nan 8.310 nan 0.000 0.456 949 Y N 1.667 122.014 120.300 0.078 0.000 2.200 949 Y HA 0.037 4.588 4.550 0.001 0.000 0.290 949 Y C 2.627 178.666 175.900 0.233 0.000 1.137 949 Y CA 0.091 58.333 58.100 0.236 0.000 1.163 949 Y CB -1.207 37.584 38.460 0.553 0.000 0.988 949 Y HN 0.241 nan 8.280 nan 0.000 0.518 950 A N 0.564 123.531 122.820 0.244 0.000 1.849 950 A HA -0.223 4.098 4.320 0.001 0.000 0.217 950 A C 2.535 180.049 177.584 -0.117 0.000 1.202 950 A CA 2.546 54.533 52.037 -0.084 0.000 0.629 950 A CB -1.467 17.059 19.000 -0.790 0.000 0.834 950 A HN 0.407 nan 8.150 nan 0.000 0.447 951 A N -0.737 121.988 122.820 -0.158 0.000 1.849 951 A HA -0.260 4.060 4.320 0.001 0.000 0.217 951 A C 2.379 179.915 177.584 -0.081 0.000 1.202 951 A CA 2.049 54.001 52.037 -0.141 0.000 0.629 951 A CB -1.634 17.270 19.000 -0.159 0.000 0.834 951 A HN 0.721 nan 8.150 nan 0.000 0.447 952 C N -1.741 117.457 119.300 -0.169 0.000 2.328 952 C HA -0.222 4.238 4.460 0.001 0.000 0.276 952 C C 2.431 177.255 174.990 -0.278 0.000 1.173 952 C CA 1.363 60.199 59.018 -0.305 0.000 1.774 952 C CB -2.014 25.370 27.740 -0.594 0.000 2.009 952 C HN 0.612 nan 8.230 nan 0.000 0.436 953 F N 0.632 120.512 119.950 -0.117 0.000 2.102 953 F HA -0.105 4.423 4.527 0.001 0.000 0.298 953 F C 2.643 178.154 175.800 -0.480 0.000 1.105 953 F CA 1.621 59.430 58.000 -0.317 0.000 1.239 953 F CB -0.886 37.870 39.000 -0.407 0.000 0.991 953 F HN 0.131 nan 8.300 nan 0.000 0.474 954 R N 0.416 120.758 120.500 -0.263 0.000 2.070 954 R HA -0.188 4.153 4.340 0.001 0.000 0.232 954 R C 2.410 178.765 176.300 0.093 0.000 1.138 954 R CA 1.685 57.681 56.100 -0.174 0.000 0.936 954 R CB -1.518 28.757 30.300 -0.042 0.000 0.839 954 R HN 0.368 nan 8.270 nan 0.000 0.429 955 F N 0.597 120.482 119.950 -0.107 0.000 2.236 955 F HA -0.204 4.323 4.527 0.001 0.000 0.302 955 F C 1.952 177.725 175.800 -0.046 0.000 1.073 955 F CA 0.850 58.792 58.000 -0.097 0.000 1.336 955 F CB -0.142 38.759 39.000 -0.166 0.000 1.040 955 F HN 0.243 nan 8.300 nan 0.000 0.507 956 G N -0.071 108.718 108.800 -0.019 0.000 2.505 956 G HA2 -0.271 3.689 3.960 0.001 0.000 0.214 956 G HA3 -0.271 3.689 3.960 0.001 0.000 0.214 956 G C 1.735 176.646 174.900 0.018 0.000 1.237 956 G CA 0.809 45.838 45.100 -0.118 0.000 0.802 956 G HN 0.461 nan 8.290 nan 0.000 0.549 957 A N -0.388 122.465 122.820 0.054 0.000 2.054 957 A HA -0.120 4.201 4.320 0.001 0.000 0.223 957 A C 1.274 178.987 177.584 0.214 0.000 1.169 957 A CA 1.047 53.191 52.037 0.178 0.000 0.655 957 A CB -0.921 18.214 19.000 0.226 0.000 0.812 957 A HN 0.603 nan 8.150 nan 0.000 0.462 958 Y N -0.592 119.760 120.300 0.087 0.000 3.225 958 Y HA -0.074 4.476 4.550 0.001 0.000 0.366 958 Y C 0.587 176.502 175.900 0.025 0.000 1.207 958 Y CA 0.649 58.800 58.100 0.085 0.000 1.570 958 Y CB -0.138 38.392 38.460 0.116 0.000 1.092 958 Y HN 0.569 nan 8.280 nan 0.000 0.615 959 L N 5.690 126.494 121.223 -0.699 0.000 3.555 959 L HA -0.179 4.162 4.340 0.001 0.000 0.538 959 L C -0.275 176.390 176.870 -0.341 0.000 1.001 959 L CA 0.866 55.307 54.840 -0.666 0.000 1.130 959 L CB -0.263 41.270 42.059 -0.878 0.000 0.876 959 L HN 0.730 nan 8.230 nan 0.000 0.674 960 V N 0.692 120.418 119.914 -0.314 0.000 2.724 960 V HA 0.281 4.402 4.120 0.001 0.000 0.341 960 V C 0.486 176.470 176.094 -0.184 0.000 1.254 960 V CA 0.130 62.333 62.300 -0.161 0.000 1.261 960 V CB 0.842 32.645 31.823 -0.033 0.000 1.445 960 V HN 0.630 nan 8.190 nan 0.000 0.652 961 T N 2.368 116.762 114.554 -0.266 0.000 2.794 961 T HA 0.442 4.793 4.350 0.001 0.000 0.304 961 T C 0.475 175.142 174.700 -0.055 0.000 0.973 961 T CA 0.830 62.838 62.100 -0.154 0.000 0.972 961 T CB 0.713 69.469 68.868 -0.187 0.000 0.952 961 T HN 0.851 nan 8.240 nan 0.000 0.509 962 Q N 2.955 122.743 119.800 -0.021 0.000 2.431 962 Q HA -0.226 4.115 4.340 0.001 0.000 0.230 962 Q C -0.756 175.222 176.000 -0.036 0.000 0.701 962 Q CA 0.698 56.490 55.803 -0.018 0.000 1.290 962 Q CB -1.315 27.417 28.738 -0.009 0.000 1.362 962 Q HN 0.922 nan 8.270 nan 0.000 0.762 963 Q N -0.740 119.032 119.800 -0.046 0.000 2.134 963 Q HA -0.065 4.276 4.340 0.001 0.000 0.292 963 Q C -1.311 174.673 176.000 -0.027 0.000 0.967 963 Q CA 0.762 56.538 55.803 -0.045 0.000 0.605 963 Q CB -0.803 27.898 28.738 -0.060 0.000 0.756 963 Q HN 0.407 nan 8.270 nan 0.000 0.322 964 L N 2.466 123.685 121.223 -0.006 0.000 2.331 964 L HA 0.444 4.784 4.340 0.001 0.000 0.268 964 L C 1.040 177.984 176.870 0.124 0.000 1.015 964 L CA -0.767 54.084 54.840 0.018 0.000 0.807 964 L CB 1.517 43.553 42.059 -0.038 0.000 1.293 964 L HN 0.787 nan 8.230 nan 0.000 0.451 965 M N 1.222 120.908 119.600 0.143 0.000 2.818 965 M HA -0.022 4.458 4.480 0.001 0.000 0.226 965 M C 0.465 176.896 176.300 0.219 0.000 1.050 965 M CA 0.316 55.775 55.300 0.266 0.000 1.059 965 M CB -2.048 30.655 32.600 0.171 0.000 1.634 965 M HN 0.546 nan 8.290 nan 0.000 0.545 966 T N -1.595 113.079 114.554 0.199 0.000 3.053 966 T HA 0.538 4.889 4.350 0.001 0.000 0.363 966 T C -0.132 174.716 174.700 0.247 0.000 1.239 966 T CA -0.829 61.325 62.100 0.090 0.000 1.071 966 T CB -0.146 68.787 68.868 0.108 0.000 1.089 966 T HN 0.242 nan 8.240 nan 0.000 0.527 967 F N 0.906 120.963 119.950 0.178 0.000 2.764 967 F HA 0.629 5.157 4.527 0.001 0.000 0.163 967 F C 1.917 177.931 175.800 0.356 0.000 1.535 967 F CA -0.731 57.333 58.000 0.107 0.000 1.072 967 F CB -0.011 38.961 39.000 -0.047 0.000 1.932 967 F HN 0.299 nan 8.300 nan 0.000 0.209 968 E N 1.599 122.063 120.200 0.440 0.000 2.208 968 E HA -0.176 4.175 4.350 0.001 0.000 0.193 968 E C 1.288 177.936 176.600 0.079 0.000 0.988 968 E CA 1.450 58.070 56.400 0.367 0.000 0.828 968 E CB -1.010 28.915 29.700 0.375 0.000 0.763 968 E HN 0.852 nan 8.360 nan 0.000 0.478 969 N N 1.102 119.577 118.700 -0.376 0.000 2.187 969 N HA -0.259 4.482 4.740 0.001 0.000 0.194 969 N C 2.037 177.444 175.510 -0.171 0.000 1.002 969 N CA 2.401 55.261 53.050 -0.317 0.000 0.882 969 N CB -1.033 37.083 38.487 -0.619 0.000 1.003 969 N HN 0.138 nan 8.380 nan 0.000 0.443 970 V N -1.210 118.617 119.914 -0.145 0.000 2.428 970 V HA -0.269 3.852 4.120 0.001 0.000 0.255 970 V C 2.347 178.433 176.094 -0.012 0.000 1.080 970 V CA 1.333 63.570 62.300 -0.106 0.000 1.083 970 V CB -0.888 30.903 31.823 -0.054 0.000 0.665 970 V HN 0.265 nan 8.190 nan 0.000 0.461 971 L N -0.510 120.762 121.223 0.081 0.000 1.943 971 L HA -0.126 4.215 4.340 0.001 0.000 0.215 971 L C 2.647 179.556 176.870 0.066 0.000 1.074 971 L CA 2.315 57.245 54.840 0.150 0.000 0.759 971 L CB -1.438 40.765 42.059 0.240 0.000 0.888 971 L HN 0.366 nan 8.230 nan 0.000 0.433 972 L N -0.755 120.503 121.223 0.058 0.000 2.034 972 L HA -0.252 4.088 4.340 0.001 0.000 0.217 972 L C 2.606 179.405 176.870 -0.119 0.000 1.077 972 L CA 1.311 56.193 54.840 0.070 0.000 0.769 972 L CB -1.344 40.831 42.059 0.193 0.000 0.890 972 L HN 0.021 nan 8.230 nan 0.000 0.435 973 V N -1.049 118.644 119.914 -0.368 0.000 2.219 973 V HA -0.351 3.770 4.120 0.001 0.000 0.248 973 V C 2.247 178.113 176.094 -0.380 0.000 1.053 973 V CA 2.166 64.070 62.300 -0.660 0.000 1.009 973 V CB -0.825 30.652 31.823 -0.577 0.000 0.636 973 V HN 0.333 nan 8.190 nan 0.000 0.445 974 F N 1.199 120.930 119.950 -0.366 0.000 2.373 974 F HA -0.148 4.379 4.527 0.001 0.000 0.300 974 F C 2.425 178.016 175.800 -0.348 0.000 1.080 974 F CA 1.309 59.109 58.000 -0.334 0.000 1.417 974 F CB -0.332 38.523 39.000 -0.242 0.000 1.070 974 F HN 0.084 nan 8.300 nan 0.000 0.546 975 S N -0.265 115.328 115.700 -0.179 0.000 2.402 975 S HA -0.094 4.377 4.470 0.001 0.000 0.229 975 S C 2.367 176.194 174.600 -1.288 0.000 1.021 975 S CA 0.824 58.719 58.200 -0.508 0.000 0.974 975 S CB -0.541 62.446 63.200 -0.356 0.000 0.800 975 S HN 0.453 nan 8.310 nan 0.000 0.484 976 A N 1.469 123.789 122.820 -0.833 0.000 1.930 976 A HA 0.043 4.364 4.320 0.001 0.000 0.217 976 A C 2.002 179.407 177.584 -0.298 0.000 1.175 976 A CA 0.889 52.637 52.037 -0.481 0.000 0.627 976 A CB -0.589 18.477 19.000 0.111 0.000 0.815 976 A HN 0.483 nan 8.150 nan 0.000 0.443 977 I N -0.750 119.586 120.570 -0.390 0.000 2.252 977 I HA -0.184 3.987 4.170 0.001 0.000 0.245 977 I C 2.316 178.316 176.117 -0.195 0.000 1.102 977 I CA 0.872 61.935 61.300 -0.396 0.000 1.385 977 I CB -0.319 37.136 38.000 -0.908 0.000 1.064 977 I HN 0.137 nan 8.210 nan 0.000 0.414 978 V N 0.959 120.785 119.914 -0.148 0.000 2.343 978 V HA -0.282 3.839 4.120 0.001 0.000 0.247 978 V C 2.347 178.515 176.094 0.123 0.000 1.051 978 V CA 1.905 64.227 62.300 0.036 0.000 1.036 978 V CB -0.601 31.250 31.823 0.047 0.000 0.654 978 V HN 0.209 nan 8.190 nan 0.000 0.451 979 F N 1.305 121.301 119.950 0.077 0.000 2.069 979 F HA -0.106 4.422 4.527 0.001 0.000 0.298 979 F C 2.482 178.290 175.800 0.013 0.000 1.113 979 F CA 1.275 59.302 58.000 0.045 0.000 1.214 979 F CB -1.815 37.205 39.000 0.033 0.000 0.978 979 F HN 0.214 nan 8.300 nan 0.000 0.474 980 G N -0.408 108.500 108.800 0.180 0.000 2.476 980 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 980 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 980 G C 1.887 176.838 174.900 0.084 0.000 1.164 980 G CA 1.207 46.360 45.100 0.088 0.000 0.768 980 G HN 0.505 nan 8.290 nan 0.000 0.560 981 A N 1.072 123.949 122.820 0.094 0.000 2.070 981 A HA 0.012 4.333 4.320 0.001 0.000 0.220 981 A C 2.400 180.057 177.584 0.122 0.000 1.159 981 A CA 1.985 54.087 52.037 0.110 0.000 0.656 981 A CB -0.425 18.655 19.000 0.134 0.000 0.800 981 A HN 0.629 nan 8.150 nan 0.000 0.453 982 M N -1.703 117.984 119.600 0.145 0.000 2.236 982 M HA 0.136 4.617 4.480 0.001 0.000 0.266 982 M C 2.152 178.496 176.300 0.074 0.000 1.070 982 M CA 1.566 56.948 55.300 0.137 0.000 1.137 982 M CB -0.600 32.108 32.600 0.179 0.000 1.378 982 M HN 0.173 nan 8.290 nan 0.000 0.426 983 A N 1.159 124.005 122.820 0.042 0.000 1.933 983 A HA -0.043 4.278 4.320 0.001 0.000 0.218 983 A C 2.247 179.845 177.584 0.025 0.000 1.175 983 A CA 1.958 53.993 52.037 -0.003 0.000 0.628 983 A CB -1.142 17.850 19.000 -0.014 0.000 0.814 983 A HN 0.406 nan 8.150 nan 0.000 0.444 984 V N -0.104 119.838 119.914 0.048 0.000 2.407 984 V HA -0.175 3.946 4.120 0.001 0.000 0.248 984 V C 2.797 178.927 176.094 0.059 0.000 1.055 984 V CA 1.839 64.172 62.300 0.054 0.000 1.049 984 V CB -1.435 30.429 31.823 0.068 0.000 0.662 984 V HN 0.613 nan 8.190 nan 0.000 0.455 985 G N -1.077 107.764 108.800 0.069 0.000 2.450 985 G HA2 -0.289 3.672 3.960 0.001 0.000 0.220 985 G HA3 -0.289 3.672 3.960 0.001 0.000 0.220 985 G C 1.517 176.464 174.900 0.078 0.000 1.130 985 G CA 0.830 45.972 45.100 0.069 0.000 0.760 985 G HN 0.477 nan 8.290 nan 0.000 0.557 986 Q N -0.417 119.426 119.800 0.071 0.000 2.049 986 Q HA 0.076 4.417 4.340 0.001 0.000 0.198 986 Q C 2.677 178.714 176.000 0.062 0.000 0.971 986 Q CA 0.876 56.715 55.803 0.060 0.000 0.833 986 Q CB -0.722 28.042 28.738 0.042 0.000 0.896 986 Q HN 0.290 nan 8.270 nan 0.000 0.434 987 V N -0.322 119.623 119.914 0.052 0.000 2.913 987 V HA -0.135 3.986 4.120 0.001 0.000 0.260 987 V C 1.153 177.292 176.094 0.074 0.000 1.098 987 V CA 1.761 64.096 62.300 0.058 0.000 1.121 987 V CB -0.107 31.739 31.823 0.039 0.000 0.714 987 V HN 0.284 nan 8.190 nan 0.000 0.487 988 S N -0.397 115.347 115.700 0.073 0.000 2.575 988 S HA 0.269 4.740 4.470 0.001 0.000 0.215 988 S C 0.661 175.316 174.600 0.092 0.000 0.966 988 S CA 0.134 58.377 58.200 0.072 0.000 0.911 988 S CB 0.194 63.428 63.200 0.056 0.000 0.780 988 S HN 0.605 nan 8.310 nan 0.000 0.514 989 S N 0.001 115.777 115.700 0.127 0.000 2.740 989 S HA 0.799 5.270 4.470 0.001 0.000 0.300 989 S C -0.659 174.129 174.600 0.313 0.000 1.147 989 S CA -0.676 57.640 58.200 0.193 0.000 0.871 989 S CB 1.108 64.437 63.200 0.214 0.000 1.173 989 S HN 0.225 nan 8.310 nan 0.000 0.510 990 F N 0.263 120.233 119.950 0.034 0.000 2.183 990 F HA -0.170 4.357 4.527 0.002 0.000 0.318 990 F C 0.887 176.696 175.800 0.015 0.000 0.286 990 F CA 0.303 58.306 58.000 0.006 0.000 0.912 990 F CB -1.274 37.703 39.000 -0.037 0.000 4.135 990 F HN 0.899 nan 8.300 nan 0.000 0.137 991 A N 2.738 125.634 122.820 0.127 0.000 2.644 991 A HA 0.320 4.641 4.320 0.001 0.000 0.230 991 A C -1.878 175.775 177.584 0.115 0.000 1.080 991 A CA 0.101 52.183 52.037 0.074 0.000 0.773 991 A CB -1.163 17.885 19.000 0.080 0.000 1.007 991 A HN 0.533 nan 8.150 nan 0.000 0.512 992 P HA -0.066 nan 4.420 nan 0.000 0.272 992 P C -0.062 177.319 177.300 0.134 0.000 1.239 992 P CA -0.118 63.040 63.100 0.096 0.000 0.807 992 P CB 0.313 32.058 31.700 0.074 0.000 0.951 993 D N -0.998 119.479 120.400 0.128 0.000 2.387 993 D HA -0.136 4.505 4.640 0.001 0.000 0.257 993 D C 0.887 177.337 176.300 0.249 0.000 1.198 993 D CA 0.532 54.622 54.000 0.151 0.000 0.945 993 D CB -0.840 40.027 40.800 0.111 0.000 0.907 993 D HN 0.397 nan 8.370 nan 0.000 0.518 994 Y N -0.861 119.475 120.300 0.060 0.000 4.118 994 Y HA -0.495 4.056 4.550 0.001 0.000 0.350 994 Y C 1.451 177.385 175.900 0.056 0.000 1.090 994 Y CA 1.310 59.447 58.100 0.061 0.000 2.216 994 Y CB -1.370 37.130 38.460 0.068 0.000 0.986 994 Y HN 0.121 nan 8.280 nan 0.000 0.484 995 A N 1.384 124.372 122.820 0.279 0.000 1.848 995 A HA -0.213 4.108 4.320 0.001 0.000 0.211 995 A C 2.074 179.718 177.584 0.100 0.000 1.225 995 A CA 2.627 54.777 52.037 0.189 0.000 0.637 995 A CB -0.825 18.255 19.000 0.133 0.000 0.867 995 A HN 0.542 nan 8.150 nan 0.000 0.463 996 K N 0.465 120.915 120.400 0.082 0.000 2.228 996 K HA -0.136 4.185 4.320 0.001 0.000 0.205 996 K C 1.915 178.541 176.600 0.043 0.000 1.045 996 K CA 1.729 58.056 56.287 0.065 0.000 0.931 996 K CB -1.190 31.348 32.500 0.063 0.000 0.727 996 K HN 0.441 nan 8.250 nan 0.000 0.458 997 A N 1.764 124.596 122.820 0.019 0.000 1.858 997 A HA -0.137 4.184 4.320 0.001 0.000 0.216 997 A C 2.395 179.927 177.584 -0.087 0.000 1.190 997 A CA 2.369 54.383 52.037 -0.038 0.000 0.617 997 A CB -1.188 17.763 19.000 -0.082 0.000 0.827 997 A HN 0.449 nan 8.150 nan 0.000 0.443 998 T N -0.245 114.222 114.554 -0.145 0.000 2.737 998 T HA -0.105 4.246 4.350 0.001 0.000 0.265 998 T C 1.925 176.596 174.700 -0.048 0.000 1.038 998 T CA 1.540 63.554 62.100 -0.143 0.000 1.144 998 T CB -0.559 68.237 68.868 -0.120 0.000 0.866 998 T HN 0.143 nan 8.240 nan 0.000 0.434 999 V N 1.860 121.769 119.914 -0.008 0.000 2.250 999 V HA -0.228 3.893 4.120 0.001 0.000 0.250 999 V C 2.701 178.806 176.094 0.019 0.000 1.060 999 V CA 2.146 64.434 62.300 -0.019 0.000 1.030 999 V CB -0.985 30.863 31.823 0.042 0.000 0.643 999 V HN 0.451 nan 8.190 nan 0.000 0.445 1000 S N -0.064 115.704 115.700 0.114 0.000 2.399 1000 S HA -0.142 4.329 4.470 0.001 0.000 0.231 1000 S C 2.156 176.825 174.600 0.116 0.000 1.022 1000 S CA 1.291 59.603 58.200 0.188 0.000 0.983 1000 S CB -0.466 62.800 63.200 0.110 0.000 0.803 1000 S HN 0.677 nan 8.310 nan 0.000 0.480 1001 A N 1.508 124.346 122.820 0.030 0.000 1.898 1001 A HA -0.051 4.270 4.320 0.001 0.000 0.216 1001 A C 2.336 179.923 177.584 0.005 0.000 1.181 1001 A CA 1.726 53.766 52.037 0.006 0.000 0.620 1001 A CB -0.884 18.087 19.000 -0.048 0.000 0.819 1001 A HN 0.442 nan 8.150 nan 0.000 0.442 1002 S N -0.633 115.041 115.700 -0.043 0.000 2.359 1002 S HA -0.182 4.289 4.470 0.001 0.000 0.224 1002 S C 1.912 176.480 174.600 -0.053 0.000 1.035 1002 S CA 1.299 59.450 58.200 -0.083 0.000 1.018 1002 S CB -0.639 62.462 63.200 -0.164 0.000 0.876 1002 S HN 0.688 nan 8.310 nan 0.000 0.448 1003 H N 1.009 120.097 119.070 0.030 0.000 2.254 1003 H HA -0.080 4.477 4.556 0.001 0.000 0.294 1003 H C 2.282 177.643 175.328 0.056 0.000 1.071 1003 H CA 1.728 57.805 56.048 0.048 0.000 1.228 1003 H CB -0.991 28.801 29.762 0.049 0.000 1.358 1003 H HN 0.338 nan 8.280 nan 0.000 0.495 1004 I N 0.647 121.336 120.570 0.197 0.000 2.300 1004 I HA -0.260 3.910 4.170 0.001 0.000 0.252 1004 I C 1.843 178.020 176.117 0.099 0.000 1.119 1004 I CA 0.945 62.324 61.300 0.133 0.000 1.384 1004 I CB -0.050 38.012 38.000 0.103 0.000 1.062 1004 I HN 0.076 nan 8.210 nan 0.000 0.426 1005 I N 0.739 121.351 120.570 0.070 0.000 2.130 1005 I HA -0.255 3.915 4.170 0.001 0.000 0.234 1005 I C 2.598 178.737 176.117 0.038 0.000 1.067 1005 I CA 1.391 62.715 61.300 0.040 0.000 1.339 1005 I CB -1.628 36.379 38.000 0.012 0.000 1.073 1005 I HN 0.292 nan 8.210 nan 0.000 0.405 1006 R N 0.640 121.158 120.500 0.031 0.000 2.204 1006 R HA -0.202 4.139 4.340 0.001 0.000 0.253 1006 R C 2.106 178.421 176.300 0.026 0.000 1.172 1006 R CA 1.493 57.602 56.100 0.016 0.000 0.994 1006 R CB -0.099 30.215 30.300 0.023 0.000 0.874 1006 R HN 0.406 nan 8.270 nan 0.000 0.462 1007 I N -0.696 119.923 120.570 0.082 0.000 2.556 1007 I HA -0.148 4.022 4.170 0.001 0.000 0.251 1007 I C 2.347 178.522 176.117 0.097 0.000 1.105 1007 I CA 0.433 61.803 61.300 0.117 0.000 1.436 1007 I CB -0.209 37.915 38.000 0.207 0.000 1.139 1007 I HN 0.170 nan 8.210 nan 0.000 0.438 1008 I N 1.198 121.823 120.570 0.091 0.000 2.423 1008 I HA -0.258 3.912 4.170 0.001 0.000 0.254 1008 I C 2.431 178.572 176.117 0.040 0.000 1.151 1008 I CA 1.467 62.814 61.300 0.078 0.000 1.421 1008 I CB -0.028 38.013 38.000 0.067 0.000 1.079 1008 I HN 0.268 nan 8.210 nan 0.000 0.431 1009 E N 1.696 121.907 120.200 0.019 0.000 1.999 1009 E HA -0.170 4.180 4.350 0.001 0.000 0.194 1009 E C 0.670 177.254 176.600 -0.027 0.000 0.995 1009 E CA 1.216 57.611 56.400 -0.009 0.000 0.825 1009 E CB -0.295 29.392 29.700 -0.021 0.000 0.777 1009 E HN 0.556 nan 8.360 nan 0.000 0.459 1010 K N -0.920 119.446 120.400 -0.057 0.000 1.550 1010 K HA -0.210 4.110 4.320 0.001 0.000 0.655 1010 K C -0.051 176.494 176.600 -0.091 0.000 1.846 1010 K CA 1.295 57.519 56.287 -0.106 0.000 1.076 1010 K CB -1.474 30.974 32.500 -0.086 0.000 1.876 1010 K HN 0.273 nan 8.250 nan 0.000 0.594 1011 T N 0.217 114.709 114.554 -0.103 0.000 3.077 1011 T HA 0.489 4.840 4.350 0.001 0.000 0.359 1011 T C -2.002 172.668 174.700 -0.049 0.000 1.108 1011 T CA -1.211 60.847 62.100 -0.069 0.000 1.170 1011 T CB 0.797 69.620 68.868 -0.075 0.000 1.045 1011 T HN 0.418 nan 8.240 nan 0.000 0.505 1012 P HA -0.250 nan 4.420 nan 0.000 0.227 1012 P C 0.949 178.265 177.300 0.027 0.000 1.141 1012 P CA 1.729 64.825 63.100 -0.006 0.000 0.964 1012 P CB 0.177 31.857 31.700 -0.034 0.000 0.784 1013 E N -3.214 117.016 120.200 0.051 0.000 4.129 1013 E HA -0.225 4.126 4.350 0.001 0.000 0.360 1013 E C 0.221 176.919 176.600 0.163 0.000 0.598 1013 E CA 1.753 58.204 56.400 0.084 0.000 1.308 1013 E CB -1.391 28.326 29.700 0.029 0.000 1.777 1013 E HN 0.567 nan 8.360 nan 0.000 0.397 1014 I N -2.385 118.311 120.570 0.210 0.000 2.523 1014 I HA 0.226 4.397 4.170 0.001 0.000 0.254 1014 I C 0.048 176.305 176.117 0.234 0.000 1.705 1014 I CA -0.309 61.180 61.300 0.314 0.000 0.914 1014 I CB 0.048 38.148 38.000 0.167 0.000 1.615 1014 I HN -0.152 nan 8.210 nan 0.000 0.458 1015 D N 1.766 122.251 120.400 0.142 0.000 2.541 1015 D HA 0.156 4.796 4.640 0.001 0.000 0.261 1015 D C 1.612 177.925 176.300 0.021 0.000 1.415 1015 D CA 1.538 55.541 54.000 0.006 0.000 1.059 1015 D CB 0.731 41.461 40.800 -0.116 0.000 0.971 1015 D HN 0.323 nan 8.370 nan 0.000 0.308 1016 S N -2.730 112.895 115.700 -0.125 0.000 2.910 1016 S HA 0.378 4.849 4.470 0.001 0.000 0.167 1016 S C -0.514 174.174 174.600 0.147 0.000 0.681 1016 S CA 0.331 58.521 58.200 -0.016 0.000 0.828 1016 S CB -0.414 62.741 63.200 -0.076 0.000 0.739 1016 S HN 0.411 nan 8.310 nan 0.000 0.611 1017 Y N -0.191 120.106 120.300 -0.004 0.000 2.893 1017 Y HA -0.150 4.401 4.550 0.001 0.000 0.457 1017 Y C 1.084 176.976 175.900 -0.013 0.000 1.230 1017 Y CA 0.509 58.605 58.100 -0.007 0.000 2.305 1017 Y CB -1.742 36.718 38.460 0.000 0.000 1.665 1017 Y HN 0.472 nan 8.280 nan 0.000 0.615 1018 S N -1.730 114.103 115.700 0.223 0.000 3.733 1018 S HA 0.350 4.821 4.470 0.001 0.000 0.178 1018 S C 0.549 175.171 174.600 0.038 0.000 1.032 1018 S CA 1.331 59.577 58.200 0.078 0.000 1.191 1018 S CB 0.156 63.384 63.200 0.047 0.000 1.657 1018 S HN 1.881 nan 8.310 nan 0.000 0.863 1019 T N 0.376 114.929 114.554 -0.001 0.000 4.210 1019 T HA -0.084 4.267 4.350 0.001 0.000 0.329 1019 T C -0.318 174.356 174.700 -0.043 0.000 0.793 1019 T CA 2.162 64.235 62.100 -0.045 0.000 1.935 1019 T CB -2.956 65.840 68.868 -0.120 0.000 1.918 1019 T HN 1.591 nan 8.240 nan 0.000 0.875 1020 Q N -2.892 116.865 119.800 -0.071 0.000 3.073 1020 Q HA 0.515 4.856 4.340 0.001 0.000 0.308 1020 Q C 0.189 176.068 176.000 -0.201 0.000 0.885 1020 Q CA -0.105 55.613 55.803 -0.142 0.000 0.852 1020 Q CB 0.043 28.676 28.738 -0.174 0.000 1.666 1020 Q HN 0.939 nan 8.270 nan 0.000 0.542 1021 G N -0.377 108.249 108.800 -0.291 0.000 3.581 1021 G HA2 0.439 4.400 3.960 0.001 0.000 0.248 1021 G HA3 0.439 4.400 3.960 0.001 0.000 0.248 1021 G C -0.052 174.611 174.900 -0.394 0.000 1.037 1021 G CA 0.094 45.031 45.100 -0.271 0.000 0.902 1021 G HN 1.391 nan 8.290 nan 0.000 0.512 1022 L N 0.821 121.646 121.223 -0.663 0.000 3.632 1022 L HA -0.146 4.195 4.340 0.001 0.000 0.510 1022 L C -0.603 176.033 176.870 -0.391 0.000 1.299 1022 L CA -0.226 54.114 54.840 -0.833 0.000 0.829 1022 L CB -0.802 40.762 42.059 -0.824 0.000 1.559 1022 L HN 0.124 nan 8.230 nan 0.000 0.857 1023 K N 2.024 122.248 120.400 -0.292 0.000 2.448 1023 K HA 0.131 4.452 4.320 0.001 0.000 0.278 1023 K C -1.293 175.244 176.600 -0.105 0.000 1.009 1023 K CA -1.008 55.185 56.287 -0.157 0.000 0.995 1023 K CB 0.150 32.581 32.500 -0.116 0.000 0.917 1023 K HN 0.091 nan 8.250 nan 0.000 0.481 1024 P HA -0.169 nan 4.420 nan 0.000 0.235 1024 P C -0.529 176.770 177.300 -0.001 0.000 1.166 1024 P CA 1.107 64.193 63.100 -0.025 0.000 0.760 1024 P CB -0.111 31.578 31.700 -0.017 0.000 0.815 1025 N N -2.039 116.654 118.700 -0.011 0.000 2.571 1025 N HA 0.143 4.884 4.740 0.001 0.000 0.298 1025 N C 0.250 175.773 175.510 0.022 0.000 1.671 1025 N CA -0.112 52.944 53.050 0.010 0.000 0.900 1025 N CB -0.050 38.438 38.487 0.000 0.000 1.365 1025 N HN 0.125 nan 8.380 nan 0.000 0.493 1026 M N -0.227 119.399 119.600 0.044 0.000 2.292 1026 M HA 0.223 4.704 4.480 0.001 0.000 0.286 1026 M C 0.161 176.558 176.300 0.163 0.000 1.002 1026 M CA -0.093 55.279 55.300 0.119 0.000 1.029 1026 M CB 0.364 33.035 32.600 0.118 0.000 1.537 1026 M HN -0.034 nan 8.290 nan 0.000 0.543 1027 L N 1.017 122.295 121.223 0.092 0.000 2.834 1027 L HA -0.082 4.259 4.340 0.001 0.000 0.252 1027 L C 1.826 178.806 176.870 0.183 0.000 1.152 1027 L CA 0.912 55.776 54.840 0.040 0.000 0.898 1027 L CB -1.305 40.829 42.059 0.124 0.000 1.078 1027 L HN 0.180 nan 8.230 nan 0.000 0.439 1028 E N 0.871 121.143 120.200 0.120 0.000 2.002 1028 E HA 0.110 4.461 4.350 0.001 0.000 0.196 1028 E C 1.754 178.417 176.600 0.105 0.000 0.974 1028 E CA 1.162 57.626 56.400 0.107 0.000 0.853 1028 E CB -0.438 29.302 29.700 0.066 0.000 0.808 1028 E HN 0.255 nan 8.360 nan 0.000 0.492 1029 G N 0.808 109.644 108.800 0.060 0.000 2.198 1029 G HA2 -0.167 3.794 3.960 0.001 0.000 0.156 1029 G HA3 -0.167 3.794 3.960 0.001 0.000 0.156 1029 G C -0.516 174.395 174.900 0.017 0.000 1.012 1029 G CA -0.120 45.000 45.100 0.034 0.000 0.692 1029 G HN 0.168 nan 8.290 nan 0.000 0.492 1030 N N 0.808 119.521 118.700 0.022 0.000 2.416 1030 N HA 0.439 5.180 4.740 0.001 0.000 0.265 1030 N C 0.158 175.673 175.510 0.009 0.000 1.195 1030 N CA 0.089 53.150 53.050 0.018 0.000 0.943 1030 N CB 1.718 40.217 38.487 0.020 0.000 1.115 1030 N HN 0.169 nan 8.380 nan 0.000 0.481 1031 V N 2.581 122.492 119.914 -0.004 0.000 2.439 1031 V HA 0.273 4.394 4.120 0.001 0.000 0.282 1031 V C 0.194 176.268 176.094 -0.033 0.000 1.039 1031 V CA -0.554 61.713 62.300 -0.054 0.000 0.913 1031 V CB 1.302 33.081 31.823 -0.075 0.000 0.983 1031 V HN 0.546 nan 8.190 nan 0.000 0.460 1032 Q N 2.805 122.553 119.800 -0.086 0.000 2.337 1032 Q HA 0.557 4.898 4.340 0.001 0.000 0.266 1032 Q C -1.741 174.110 176.000 -0.249 0.000 1.023 1032 Q CA -0.464 55.342 55.803 0.005 0.000 0.829 1032 Q CB 2.507 31.441 28.738 0.327 0.000 1.306 1032 Q HN 0.651 nan 8.270 nan 0.000 0.449 1033 F N 0.700 120.657 119.950 0.012 0.000 2.716 1033 F HA 0.216 4.744 4.527 0.001 0.000 0.354 1033 F C 0.043 175.835 175.800 -0.014 0.000 1.168 1033 F CA -0.401 57.574 58.000 -0.042 0.000 1.045 1033 F CB 1.873 40.857 39.000 -0.025 0.000 1.311 1033 F HN 0.217 nan 8.300 nan 0.000 0.477 1034 S N 2.118 117.899 115.700 0.135 0.000 2.437 1034 S HA 0.567 5.038 4.470 0.001 0.000 0.305 1034 S C 0.865 175.524 174.600 0.097 0.000 1.109 1034 S CA 0.499 58.770 58.200 0.117 0.000 1.099 1034 S CB 0.923 64.197 63.200 0.125 0.000 1.004 1034 S HN 1.178 nan 8.310 nan 0.000 0.475 1035 G N 3.381 112.236 108.800 0.090 0.000 2.779 1035 G HA2 -0.343 3.618 3.960 0.001 0.000 0.230 1035 G HA3 -0.343 3.618 3.960 0.001 0.000 0.230 1035 G C 0.455 175.398 174.900 0.072 0.000 1.243 1035 G CA 0.161 45.303 45.100 0.070 0.000 0.769 1035 G HN 1.845 nan 8.290 nan 0.000 0.516 1036 V N -0.036 119.940 119.914 0.104 0.000 5.720 1036 V HA -0.060 4.061 4.120 0.001 0.000 0.167 1036 V C 0.829 176.964 176.094 0.069 0.000 0.719 1036 V CA 1.552 63.910 62.300 0.096 0.000 0.518 1036 V CB -1.899 29.919 31.823 -0.008 0.000 0.203 1036 V HN 2.070 nan 8.190 nan 0.000 0.402 1037 V N 1.678 121.652 119.914 0.101 0.000 2.448 1037 V HA 1.027 5.147 4.120 0.001 0.000 0.295 1037 V C -0.858 175.360 176.094 0.207 0.000 1.025 1037 V CA -0.605 61.757 62.300 0.102 0.000 0.859 1037 V CB 1.951 33.813 31.823 0.065 0.000 0.988 1037 V HN 0.904 nan 8.190 nan 0.000 0.431 1038 F N 3.853 123.801 119.950 -0.003 0.000 2.858 1038 F HA 0.677 5.204 4.527 0.001 0.000 0.319 1038 F C -1.747 174.050 175.800 -0.005 0.000 1.166 1038 F CA -0.529 57.475 58.000 0.008 0.000 0.899 1038 F CB 1.713 40.729 39.000 0.026 0.000 1.332 1038 F HN 0.842 nan 8.300 nan 0.000 0.461 1039 N N 3.092 120.728 118.700 -1.774 0.000 3.466 1039 N HA 0.111 4.852 4.740 0.001 0.000 0.217 1039 N C -1.583 173.134 175.510 -1.321 0.000 1.265 1039 N CA -0.425 51.840 53.050 -1.308 0.000 0.887 1039 N CB 0.456 38.594 38.487 -0.580 0.000 1.626 1039 N HN 0.742 nan 8.380 nan 0.000 0.700 1040 Y N 1.741 121.232 120.300 -1.349 0.000 3.073 1040 Y HA 0.111 4.662 4.550 0.001 0.000 0.344 1040 Y C -2.151 173.687 175.900 -0.102 0.000 1.277 1040 Y CA -0.869 57.064 58.100 -0.279 0.000 1.534 1040 Y CB -1.243 37.120 38.460 -0.163 0.000 1.273 1040 Y HN 0.374 nan 8.280 nan 0.000 0.633 1041 P HA -0.071 nan 4.420 nan 0.000 0.245 1041 P C 0.197 177.380 177.300 -0.195 0.000 1.123 1041 P CA 1.958 65.041 63.100 -0.027 0.000 0.853 1041 P CB -0.201 31.583 31.700 0.140 0.000 0.786 1042 T N 2.209 116.603 114.554 -0.268 0.000 5.422 1042 T HA -0.035 4.315 4.350 0.001 0.000 0.246 1042 T C 1.053 175.583 174.700 -0.283 0.000 1.048 1042 T CA -0.351 61.593 62.100 -0.261 0.000 0.387 1042 T CB -1.381 67.279 68.868 -0.346 0.000 0.448 1042 T HN 0.319 nan 8.240 nan 0.000 0.185 1043 R N 1.777 122.142 120.500 -0.225 0.000 2.153 1043 R HA -0.063 4.278 4.340 0.001 0.000 0.252 1043 R C -0.866 175.347 176.300 -0.144 0.000 1.158 1043 R CA 2.284 58.271 56.100 -0.189 0.000 0.975 1043 R CB -0.521 29.708 30.300 -0.118 0.000 0.871 1043 R HN 0.448 nan 8.270 nan 0.000 0.450 1044 P HA -0.034 nan 4.420 nan 0.000 0.239 1044 P C 0.108 177.355 177.300 -0.089 0.000 1.184 1044 P CA 1.007 64.057 63.100 -0.083 0.000 0.760 1044 P CB 0.135 31.798 31.700 -0.062 0.000 0.884 1045 S N -0.427 115.198 115.700 -0.126 0.000 2.660 1045 S HA 0.171 4.642 4.470 0.001 0.000 0.227 1045 S C 0.726 175.258 174.600 -0.114 0.000 0.948 1045 S CA -0.658 57.472 58.200 -0.117 0.000 0.948 1045 S CB -1.192 61.917 63.200 -0.151 0.000 0.779 1045 S HN 0.075 nan 8.310 nan 0.000 0.487 1046 I N 0.317 120.821 120.570 -0.109 0.000 8.555 1046 I HA -0.137 4.034 4.170 0.001 0.000 0.126 1046 I C -2.547 173.498 176.117 -0.120 0.000 1.837 1046 I CA -0.418 60.825 61.300 -0.095 0.000 2.075 1046 I CB -0.877 37.084 38.000 -0.065 0.000 3.814 1046 I HN 0.200 nan 8.210 nan 0.000 0.181 1047 P HA -0.055 nan 4.420 nan 0.000 0.264 1047 P C 0.780 178.010 177.300 -0.117 0.000 1.173 1047 P CA 0.110 63.112 63.100 -0.163 0.000 0.761 1047 P CB 0.421 32.045 31.700 -0.125 0.000 0.794 1048 V N 1.039 120.875 119.914 -0.129 0.000 3.514 1048 V HA 0.242 4.363 4.120 0.001 0.000 0.301 1048 V C 0.133 176.196 176.094 -0.052 0.000 1.346 1048 V CA 0.642 62.902 62.300 -0.066 0.000 1.156 1048 V CB -0.423 31.384 31.823 -0.028 0.000 1.029 1048 V HN 0.258 nan 8.190 nan 0.000 0.428 1049 L N 3.047 124.234 121.223 -0.059 0.000 2.529 1049 L HA 0.503 4.843 4.340 0.001 0.000 0.260 1049 L C -0.680 176.184 176.870 -0.009 0.000 0.997 1049 L CA -0.009 54.822 54.840 -0.015 0.000 0.885 1049 L CB 1.606 43.696 42.059 0.053 0.000 1.185 1049 L HN 0.699 nan 8.230 nan 0.000 0.442 1050 Q N 0.860 120.654 119.800 -0.011 0.000 2.401 1050 Q HA 0.603 4.944 4.340 0.001 0.000 0.260 1050 Q C 0.622 176.626 176.000 0.006 0.000 1.034 1050 Q CA -0.469 55.332 55.803 -0.004 0.000 0.737 1050 Q CB 1.681 30.412 28.738 -0.012 0.000 1.227 1050 Q HN 0.707 nan 8.270 nan 0.000 0.488 1051 G N 2.393 111.204 108.800 0.018 0.000 2.295 1051 G HA2 -0.278 3.683 3.960 0.001 0.000 0.287 1051 G HA3 -0.278 3.683 3.960 0.001 0.000 0.287 1051 G C -0.427 174.485 174.900 0.021 0.000 1.055 1051 G CA 0.197 45.311 45.100 0.024 0.000 0.922 1051 G HN 0.591 nan 8.290 nan 0.000 0.503 1052 L N 0.305 121.535 121.223 0.012 0.000 2.439 1052 L HA 0.805 5.146 4.340 0.001 0.000 0.261 1052 L C 0.324 177.204 176.870 0.017 0.000 1.153 1052 L CA 0.117 54.953 54.840 -0.008 0.000 0.808 1052 L CB 1.733 43.755 42.059 -0.063 0.000 1.126 1052 L HN 0.283 nan 8.230 nan 0.000 0.460 1053 S N 4.269 119.980 115.700 0.019 0.000 2.605 1053 S HA 0.688 5.159 4.470 0.001 0.000 0.279 1053 S C -1.337 173.303 174.600 0.067 0.000 1.166 1053 S CA -0.652 57.591 58.200 0.072 0.000 0.975 1053 S CB 1.068 64.311 63.200 0.073 0.000 1.111 1053 S HN 0.410 nan 8.310 nan 0.000 0.465 1054 L N 1.751 123.058 121.223 0.139 0.000 2.205 1054 L HA 0.825 5.165 4.340 0.001 0.000 0.242 1054 L C -0.270 176.703 176.870 0.172 0.000 1.115 1054 L CA -0.599 54.313 54.840 0.119 0.000 0.987 1054 L CB 1.191 43.310 42.059 0.101 0.000 1.568 1054 L HN 0.791 nan 8.230 nan 0.000 0.450 1055 E N -0.318 119.960 120.200 0.130 0.000 2.411 1055 E HA 0.461 4.812 4.350 0.001 0.000 0.279 1055 E C -2.259 174.380 176.600 0.065 0.000 1.132 1055 E CA -0.283 56.177 56.400 0.100 0.000 0.876 1055 E CB 2.214 31.951 29.700 0.060 0.000 1.335 1055 E HN 0.306 nan 8.360 nan 0.000 0.436 1056 V N 2.240 122.183 119.914 0.048 0.000 2.950 1056 V HA 0.462 4.582 4.120 0.001 0.000 0.295 1056 V C -0.977 175.132 176.094 0.024 0.000 1.297 1056 V CA -0.594 61.726 62.300 0.034 0.000 0.962 1056 V CB 1.883 33.733 31.823 0.045 0.000 1.081 1056 V HN 0.720 nan 8.190 nan 0.000 0.432 1057 K N 3.413 123.824 120.400 0.018 0.000 2.614 1057 K HA 0.427 4.747 4.320 0.001 0.000 0.275 1057 K C 0.020 176.632 176.600 0.019 0.000 1.055 1057 K CA -0.097 56.200 56.287 0.016 0.000 0.961 1057 K CB 0.233 32.741 32.500 0.012 0.000 1.220 1057 K HN 0.819 nan 8.250 nan 0.000 0.491 1058 K N -1.470 118.942 120.400 0.020 0.000 2.168 1058 K HA 0.507 4.828 4.320 0.001 0.000 0.239 1058 K C 0.402 177.013 176.600 0.019 0.000 0.999 1058 K CA -0.501 55.801 56.287 0.025 0.000 0.900 1058 K CB 1.114 33.634 32.500 0.033 0.000 1.111 1058 K HN 0.498 nan 8.250 nan 0.000 0.452 1059 G N 1.291 110.101 108.800 0.017 0.000 2.449 1059 G HA2 -0.305 3.656 3.960 0.001 0.000 0.304 1059 G HA3 -0.305 3.656 3.960 0.001 0.000 0.304 1059 G C -0.518 174.386 174.900 0.007 0.000 0.962 1059 G CA 1.496 46.599 45.100 0.006 0.000 0.943 1059 G HN 0.816 nan 8.290 nan 0.000 0.514 1060 Q N -2.041 117.766 119.800 0.011 0.000 2.882 1060 Q HA 0.820 5.161 4.340 0.001 0.000 0.315 1060 Q C -0.534 175.476 176.000 0.016 0.000 1.004 1060 Q CA -0.794 55.016 55.803 0.013 0.000 0.777 1060 Q CB 0.428 29.174 28.738 0.014 0.000 1.506 1060 Q HN 0.084 nan 8.270 nan 0.000 0.489 1061 T N 1.717 116.282 114.554 0.019 0.000 2.791 1061 T HA 0.401 4.752 4.350 0.001 0.000 0.288 1061 T C -1.045 173.670 174.700 0.026 0.000 0.999 1061 T CA -0.678 61.436 62.100 0.023 0.000 0.952 1061 T CB 0.533 69.416 68.868 0.025 0.000 0.938 1061 T HN 0.514 nan 8.240 nan 0.000 0.444 1062 L N 4.417 125.658 121.223 0.029 0.000 2.268 1062 L HA 0.641 4.981 4.340 0.001 0.000 0.289 1062 L C 0.319 177.209 176.870 0.034 0.000 1.064 1062 L CA -0.428 54.430 54.840 0.031 0.000 0.824 1062 L CB -0.382 41.701 42.059 0.039 0.000 1.202 1062 L HN 0.745 nan 8.230 nan 0.000 0.433 1063 A N 6.505 129.343 122.820 0.031 0.000 2.425 1063 A HA 0.473 4.794 4.320 0.001 0.000 0.249 1063 A C -0.576 177.029 177.584 0.035 0.000 1.084 1063 A CA -0.315 51.744 52.037 0.036 0.000 0.781 1063 A CB 0.586 19.607 19.000 0.034 0.000 1.019 1063 A HN 0.728 nan 8.150 nan 0.000 0.490 1064 L N 3.650 124.899 121.223 0.043 0.000 2.476 1064 L HA 0.698 5.039 4.340 0.001 0.000 0.269 1064 L C -1.478 175.426 176.870 0.056 0.000 0.965 1064 L CA -0.416 54.450 54.840 0.042 0.000 0.845 1064 L CB 1.366 43.446 42.059 0.035 0.000 1.259 1064 L HN 0.696 nan 8.230 nan 0.000 0.403 1065 V N 5.162 125.114 119.914 0.064 0.000 2.668 1065 V HA 0.904 5.025 4.120 0.001 0.000 0.304 1065 V C -0.073 176.068 176.094 0.078 0.000 1.071 1065 V CA 0.369 62.720 62.300 0.085 0.000 0.894 1065 V CB 1.851 33.742 31.823 0.113 0.000 1.008 1065 V HN 0.951 nan 8.190 nan 0.000 0.425 1066 G N 3.548 112.392 108.800 0.073 0.000 3.175 1066 G HA2 0.491 4.452 3.960 0.001 0.000 0.153 1066 G HA3 0.491 4.452 3.960 0.001 0.000 0.153 1066 G C 0.877 175.815 174.900 0.065 0.000 1.216 1066 G CA 0.468 45.601 45.100 0.054 0.000 0.943 1066 G HN 1.200 nan 8.290 nan 0.000 0.611 1067 S N -1.952 113.771 115.700 0.039 0.000 2.444 1067 S HA 0.426 4.897 4.470 0.001 0.000 0.223 1067 S C 0.829 175.436 174.600 0.011 0.000 1.054 1067 S CA 1.096 59.317 58.200 0.035 0.000 0.947 1067 S CB 0.088 63.297 63.200 0.016 0.000 0.850 1067 S HN 1.319 nan 8.310 nan 0.000 0.527 1068 S N -1.643 114.042 115.700 -0.025 0.000 2.608 1068 S HA 0.491 4.962 4.470 0.001 0.000 0.285 1068 S C 0.494 175.051 174.600 -0.073 0.000 1.108 1068 S CA 0.205 58.351 58.200 -0.089 0.000 0.858 1068 S CB 0.694 63.828 63.200 -0.110 0.000 1.077 1068 S HN 1.597 nan 8.310 nan 0.000 0.450 1069 G N 2.809 111.553 108.800 -0.093 0.000 3.773 1069 G HA2 -0.359 3.602 3.960 0.001 0.000 0.355 1069 G HA3 -0.359 3.602 3.960 0.001 0.000 0.355 1069 G C 0.830 175.698 174.900 -0.054 0.000 1.323 1069 G CA 0.741 45.798 45.100 -0.071 0.000 1.103 1069 G HN 1.533 nan 8.290 nan 0.000 0.716 1070 C N 1.493 120.762 119.300 -0.051 0.000 2.604 1070 C HA 0.627 5.088 4.460 0.001 0.000 0.396 1070 C C 1.813 176.785 174.990 -0.031 0.000 1.282 1070 C CA 1.203 60.192 59.018 -0.049 0.000 2.292 1070 C CB 0.209 27.924 27.740 -0.042 0.000 2.633 1070 C HN 2.281 nan 8.230 nan 0.000 0.620 1071 G N 2.136 110.919 108.800 -0.028 0.000 3.349 1071 G HA2 -0.198 3.763 3.960 0.001 0.000 0.202 1071 G HA3 -0.198 3.763 3.960 0.001 0.000 0.202 1071 G C 1.039 175.923 174.900 -0.026 0.000 1.588 1071 G CA 0.286 45.370 45.100 -0.026 0.000 1.198 1071 G HN 0.606 nan 8.290 nan 0.000 0.588 1072 K N 1.382 121.774 120.400 -0.014 0.000 1.969 1072 K HA -0.025 4.295 4.320 0.001 0.000 0.216 1072 K C 3.004 179.609 176.600 0.009 0.000 1.048 1072 K CA 2.543 58.829 56.287 -0.001 0.000 0.948 1072 K CB -0.512 31.996 32.500 0.013 0.000 0.726 1072 K HN 0.622 nan 8.250 nan 0.000 0.442 1073 S N 1.266 116.973 115.700 0.012 0.000 2.359 1073 S HA -0.227 4.244 4.470 0.001 0.000 0.223 1073 S C 2.359 176.994 174.600 0.058 0.000 1.039 1073 S CA 2.126 60.347 58.200 0.036 0.000 1.042 1073 S CB -1.516 61.693 63.200 0.016 0.000 0.915 1073 S HN 0.510 nan 8.310 nan 0.000 0.439 1074 T N 0.939 115.510 114.554 0.028 0.000 2.685 1074 T HA -0.133 4.218 4.350 0.001 0.000 0.268 1074 T C 1.791 176.530 174.700 0.065 0.000 1.034 1074 T CA 1.572 63.708 62.100 0.061 0.000 1.149 1074 T CB -1.305 67.604 68.868 0.068 0.000 0.860 1074 T HN 0.275 nan 8.240 nan 0.000 0.449 1075 V N 1.513 121.423 119.914 -0.007 0.000 2.223 1075 V HA -0.160 3.961 4.120 0.001 0.000 0.244 1075 V C 2.948 179.079 176.094 0.061 0.000 1.045 1075 V CA 1.660 63.911 62.300 -0.081 0.000 1.000 1075 V CB -0.982 30.729 31.823 -0.187 0.000 0.635 1075 V HN 0.411 nan 8.190 nan 0.000 0.445 1076 V N -0.159 119.796 119.914 0.069 0.000 2.236 1076 V HA -0.446 3.675 4.120 0.001 0.000 0.255 1076 V C 2.477 178.628 176.094 0.095 0.000 1.068 1076 V CA 2.617 64.970 62.300 0.090 0.000 1.044 1076 V CB -1.017 30.858 31.823 0.087 0.000 0.653 1076 V HN 0.614 nan 8.190 nan 0.000 0.448 1077 Q N -0.557 119.346 119.800 0.172 0.000 1.935 1077 Q HA -0.276 4.065 4.340 0.001 0.000 0.212 1077 Q C 2.314 178.379 176.000 0.109 0.000 1.008 1077 Q CA 2.398 58.379 55.803 0.297 0.000 0.868 1077 Q CB -0.543 28.502 28.738 0.512 0.000 0.946 1077 Q HN 0.559 nan 8.270 nan 0.000 0.418 1078 L N 0.253 121.557 121.223 0.136 0.000 2.123 1078 L HA -0.289 4.052 4.340 0.001 0.000 0.217 1078 L C 2.501 179.400 176.870 0.049 0.000 1.081 1078 L CA 0.946 55.834 54.840 0.080 0.000 0.772 1078 L CB -0.655 41.488 42.059 0.141 0.000 0.890 1078 L HN 0.312 nan 8.230 nan 0.000 0.437 1079 L N -0.237 121.036 121.223 0.084 0.000 1.994 1079 L HA -0.170 4.171 4.340 0.001 0.000 0.208 1079 L C 2.429 179.176 176.870 -0.206 0.000 1.071 1079 L CA 1.785 56.599 54.840 -0.042 0.000 0.745 1079 L CB -0.655 41.406 42.059 0.003 0.000 0.892 1079 L HN 0.164 nan 8.230 nan 0.000 0.431 1080 E N 0.378 120.374 120.200 -0.340 0.000 2.510 1080 E HA -0.229 4.122 4.350 0.001 0.000 0.202 1080 E C 0.735 176.944 176.600 -0.652 0.000 1.072 1080 E CA 0.549 56.542 56.400 -0.679 0.000 0.883 1080 E CB -0.384 28.481 29.700 -1.393 0.000 0.818 1080 E HN 0.425 nan 8.360 nan 0.000 0.548 1081 R N -0.558 119.730 120.500 -0.352 0.000 3.641 1081 R HA -0.214 4.127 4.340 0.001 0.000 0.286 1081 R C 0.324 176.550 176.300 -0.123 0.000 1.153 1081 R CA 0.183 56.165 56.100 -0.197 0.000 0.775 1081 R CB -1.788 28.413 30.300 -0.164 0.000 1.215 1081 R HN 0.061 nan 8.270 nan 0.000 0.474 1082 F N -0.727 119.197 119.950 -0.044 0.000 2.186 1082 F HA 0.007 4.535 4.527 0.001 0.000 0.299 1082 F C 0.764 176.306 175.800 -0.430 0.000 1.090 1082 F CA 1.159 59.028 58.000 -0.218 0.000 1.307 1082 F CB -0.007 38.871 39.000 -0.205 0.000 1.019 1082 F HN 0.084 nan 8.300 nan 0.000 0.489 1083 Y N -0.357 119.940 120.300 -0.004 0.000 2.331 1083 Y HA 0.309 4.860 4.550 0.001 0.000 0.326 1083 Y C -0.481 175.162 175.900 -0.428 0.000 1.020 1083 Y CA -2.174 55.778 58.100 -0.248 0.000 1.136 1083 Y CB 0.467 38.590 38.460 -0.562 0.000 1.157 1083 Y HN -0.188 nan 8.280 nan 0.000 0.444 1084 D N 6.474 126.813 120.400 -0.102 0.000 2.346 1084 D HA 0.102 4.743 4.640 0.001 0.000 0.260 1084 D C -2.180 174.058 176.300 -0.104 0.000 1.252 1084 D CA -0.895 53.047 54.000 -0.098 0.000 0.895 1084 D CB 1.043 41.822 40.800 -0.035 0.000 1.097 1084 D HN 0.287 nan 8.370 nan 0.000 0.489 1085 P HA -0.130 nan 4.420 nan 0.000 0.266 1085 P C 0.925 178.317 177.300 0.153 0.000 1.180 1085 P CA 0.083 63.217 63.100 0.057 0.000 0.765 1085 P CB 0.964 32.714 31.700 0.083 0.000 0.806 1086 M N 1.287 121.044 119.600 0.262 0.000 2.117 1086 M HA -0.100 4.381 4.480 0.001 0.000 0.262 1086 M C 0.955 177.314 176.300 0.099 0.000 1.065 1086 M CA 2.010 57.412 55.300 0.170 0.000 1.114 1086 M CB -0.220 32.468 32.600 0.147 0.000 1.361 1086 M HN 0.487 nan 8.290 nan 0.000 0.408 1087 A N -0.310 122.565 122.820 0.092 0.000 2.437 1087 A HA 0.652 4.973 4.320 0.001 0.000 0.293 1087 A C -0.103 177.514 177.584 0.056 0.000 1.038 1087 A CA -0.049 52.024 52.037 0.060 0.000 0.708 1087 A CB 0.959 19.989 19.000 0.050 0.000 1.251 1087 A HN 0.542 nan 8.150 nan 0.000 0.409 1088 G N 0.102 108.923 108.800 0.035 0.000 2.297 1088 G HA2 0.552 4.513 3.960 0.001 0.000 0.209 1088 G HA3 0.552 4.513 3.960 0.001 0.000 0.209 1088 G C -0.155 174.725 174.900 -0.033 0.000 1.267 1088 G CA 0.444 45.557 45.100 0.022 0.000 1.127 1088 G HN 2.467 nan 8.290 nan 0.000 0.498 1089 S N -2.641 113.001 115.700 -0.097 0.000 2.656 1089 S HA 0.709 5.179 4.470 0.001 0.000 0.265 1089 S C -1.663 172.644 174.600 -0.489 0.000 1.110 1089 S CA 0.869 58.906 58.200 -0.271 0.000 0.821 1089 S CB 1.033 64.028 63.200 -0.341 0.000 1.099 1089 S HN 2.353 nan 8.310 nan 0.000 0.471 1090 V N 1.627 121.117 119.914 -0.705 0.000 3.040 1090 V HA 0.936 5.056 4.120 0.001 0.000 0.312 1090 V C -2.133 173.369 176.094 -0.985 0.000 1.115 1090 V CA -0.636 61.133 62.300 -0.884 0.000 0.998 1090 V CB 1.882 33.170 31.823 -0.891 0.000 1.042 1090 V HN 0.789 nan 8.190 nan 0.000 0.433 1091 F N 5.545 125.335 119.950 -0.267 0.000 2.577 1091 F HA 0.445 4.973 4.527 0.001 0.000 0.344 1091 F C 0.708 176.406 175.800 -0.171 0.000 1.145 1091 F CA -0.583 57.319 58.000 -0.163 0.000 0.996 1091 F CB 1.727 40.665 39.000 -0.104 0.000 1.248 1091 F HN 0.649 nan 8.300 nan 0.000 0.447 1092 L N -1.090 120.136 121.223 0.004 0.000 2.376 1092 L HA 0.143 4.484 4.340 0.001 0.000 0.219 1092 L C 0.716 177.594 176.870 0.013 0.000 1.133 1092 L CA 2.031 56.843 54.840 -0.047 0.000 0.816 1092 L CB 0.134 42.139 42.059 -0.091 0.000 0.933 1092 L HN 0.648 nan 8.230 nan 0.000 0.449 1093 D N -1.814 118.628 120.400 0.070 0.000 1.769 1093 D HA 0.136 4.777 4.640 0.001 0.000 0.521 1093 D C 1.182 177.505 176.300 0.038 0.000 0.976 1093 D CA 0.729 54.765 54.000 0.059 0.000 1.053 1093 D CB 0.120 40.970 40.800 0.084 0.000 1.746 1093 D HN 0.214 nan 8.370 nan 0.000 0.532 1094 G N -0.303 108.530 108.800 0.054 0.000 4.259 1094 G HA2 0.144 4.104 3.960 0.001 0.000 0.193 1094 G HA3 0.144 4.104 3.960 0.001 0.000 0.193 1094 G C -0.382 174.519 174.900 0.002 0.000 1.373 1094 G CA -0.321 44.756 45.100 -0.038 0.000 1.011 1094 G HN 0.107 nan 8.290 nan 0.000 0.408 1095 K N 1.940 122.386 120.400 0.077 0.000 2.285 1095 K HA 0.386 4.707 4.320 0.001 0.000 0.255 1095 K C -0.028 176.743 176.600 0.285 0.000 1.000 1095 K CA 0.297 56.654 56.287 0.117 0.000 0.887 1095 K CB 0.371 32.923 32.500 0.086 0.000 0.997 1095 K HN 0.387 nan 8.250 nan 0.000 0.510 1096 E N 1.437 121.790 120.200 0.255 0.000 2.105 1096 E HA 0.101 4.452 4.350 0.001 0.000 0.285 1096 E C -0.314 176.286 176.600 0.001 0.000 1.055 1096 E CA -0.391 56.140 56.400 0.218 0.000 0.843 1096 E CB 0.456 30.268 29.700 0.187 0.000 1.067 1096 E HN 0.217 nan 8.360 nan 0.000 0.398 1097 I N 4.124 124.623 120.570 -0.117 0.000 2.517 1097 I HA -0.010 4.160 4.170 0.001 0.000 0.285 1097 I C 0.748 176.753 176.117 -0.187 0.000 1.106 1097 I CA 0.484 61.690 61.300 -0.158 0.000 1.402 1097 I CB -0.242 37.614 38.000 -0.241 0.000 1.399 1097 I HN 0.772 nan 8.210 nan 0.000 0.535 1098 K N 6.370 126.689 120.400 -0.135 0.000 3.036 1098 K HA -0.125 4.196 4.320 0.001 0.000 0.303 1098 K C 0.115 176.654 176.600 -0.102 0.000 1.215 1098 K CA 0.515 56.730 56.287 -0.121 0.000 0.774 1098 K CB -0.704 31.723 32.500 -0.123 0.000 1.543 1098 K HN 0.923 nan 8.250 nan 0.000 0.484 1099 Q N -0.393 119.343 119.800 -0.105 0.000 7.586 1099 Q HA -0.043 4.298 4.340 0.001 0.000 0.353 1099 Q C -0.306 175.640 176.000 -0.090 0.000 0.941 1099 Q CA 0.420 56.166 55.803 -0.095 0.000 0.545 1099 Q CB -0.370 28.341 28.738 -0.043 0.000 0.339 1099 Q HN 0.338 nan 8.270 nan 0.000 0.862 1100 L N 2.698 123.892 121.223 -0.049 0.000 2.394 1100 L HA 0.217 4.557 4.340 0.001 0.000 0.229 1100 L C 0.322 177.176 176.870 -0.027 0.000 1.225 1100 L CA 0.792 55.636 54.840 0.006 0.000 0.829 1100 L CB 0.113 42.217 42.059 0.075 0.000 1.195 1100 L HN 0.268 nan 8.230 nan 0.000 0.548 1101 N N 0.747 119.484 118.700 0.061 0.000 2.415 1101 N HA -0.039 4.702 4.740 0.001 0.000 0.250 1101 N C 1.033 176.593 175.510 0.083 0.000 1.127 1101 N CA 0.361 53.445 53.050 0.057 0.000 0.945 1101 N CB 0.840 39.396 38.487 0.115 0.000 1.196 1101 N HN 0.665 nan 8.380 nan 0.000 0.499 1102 V N 4.407 124.320 119.914 -0.002 0.000 2.252 1102 V HA -0.348 3.773 4.120 0.001 0.000 0.255 1102 V C 2.384 178.517 176.094 0.064 0.000 1.071 1102 V CA 2.705 65.014 62.300 0.015 0.000 1.050 1102 V CB -0.481 31.364 31.823 0.038 0.000 0.654 1102 V HN 0.814 nan 8.190 nan 0.000 0.448 1103 Q N -0.840 119.032 119.800 0.120 0.000 2.077 1103 Q HA -0.300 4.041 4.340 0.001 0.000 0.206 1103 Q C 1.802 177.884 176.000 0.136 0.000 0.989 1103 Q CA 3.099 58.972 55.803 0.116 0.000 0.853 1103 Q CB -0.861 27.953 28.738 0.127 0.000 0.907 1103 Q HN 0.859 nan 8.270 nan 0.000 0.418 1104 W N -0.165 121.122 121.300 -0.022 0.000 2.418 1104 W HA -0.081 4.579 4.660 0.001 0.000 0.292 1104 W C 1.707 178.196 176.519 -0.049 0.000 1.213 1104 W CA 1.235 58.558 57.345 -0.036 0.000 1.283 1104 W CB -0.547 28.889 29.460 -0.041 0.000 1.119 1104 W HN 0.345 nan 8.180 nan 0.000 0.542 1105 L N 1.525 122.692 121.223 -0.094 0.000 2.187 1105 L HA -0.089 4.252 4.340 0.001 0.000 0.213 1105 L C 1.901 178.603 176.870 -0.280 0.000 1.100 1105 L CA 1.928 56.594 54.840 -0.290 0.000 0.765 1105 L CB -0.591 41.378 42.059 -0.151 0.000 0.904 1105 L HN -0.037 nan 8.230 nan 0.000 0.437 1106 R N -1.320 119.077 120.500 -0.171 0.000 2.334 1106 R HA 0.280 4.621 4.340 0.001 0.000 0.216 1106 R C 1.952 178.185 176.300 -0.113 0.000 0.905 1106 R CA 0.495 56.516 56.100 -0.133 0.000 1.064 1106 R CB -0.010 30.252 30.300 -0.064 0.000 1.046 1106 R HN 0.427 nan 8.270 nan 0.000 0.508 1107 A N 0.714 123.437 122.820 -0.160 0.000 1.878 1107 A HA -0.020 4.301 4.320 0.001 0.000 0.213 1107 A C 0.734 178.217 177.584 -0.168 0.000 1.192 1107 A CA 0.773 52.743 52.037 -0.111 0.000 0.619 1107 A CB 0.207 19.186 19.000 -0.034 0.000 0.837 1107 A HN 0.115 nan 8.150 nan 0.000 0.446 1108 Q N 0.060 119.648 119.800 -0.353 0.000 2.430 1108 Q HA 0.624 4.965 4.340 0.001 0.000 0.245 1108 Q C -0.916 174.956 176.000 -0.212 0.000 1.021 1108 Q CA 0.262 55.901 55.803 -0.273 0.000 0.867 1108 Q CB 1.088 29.559 28.738 -0.445 0.000 1.210 1108 Q HN 0.581 nan 8.270 nan 0.000 0.487 1109 L N -1.218 119.942 121.223 -0.106 0.000 2.905 1109 L HA 0.675 5.016 4.340 0.001 0.000 0.260 1109 L C -0.647 176.204 176.870 -0.032 0.000 0.933 1109 L CA -0.974 53.816 54.840 -0.084 0.000 1.034 1109 L CB 1.012 43.007 42.059 -0.107 0.000 1.550 1109 L HN 0.535 nan 8.230 nan 0.000 0.480 1110 G N 4.476 113.265 108.800 -0.018 0.000 3.515 1110 G HA2 0.397 4.358 3.960 0.001 0.000 0.288 1110 G HA3 0.397 4.358 3.960 0.001 0.000 0.288 1110 G C -0.273 174.631 174.900 0.007 0.000 1.012 1110 G CA -0.260 44.841 45.100 0.002 0.000 1.689 1110 G HN 0.700 nan 8.290 nan 0.000 0.572 1111 I N 1.618 122.193 120.570 0.008 0.000 2.395 1111 I HA 0.480 4.651 4.170 0.001 0.000 0.289 1111 I C -0.806 175.322 176.117 0.018 0.000 1.023 1111 I CA -0.369 60.944 61.300 0.021 0.000 1.350 1111 I CB 1.236 39.260 38.000 0.041 0.000 1.409 1111 I HN 0.020 nan 8.210 nan 0.000 0.507 1112 V N 6.988 126.917 119.914 0.024 0.000 2.637 1112 V HA 0.173 4.293 4.120 0.001 0.000 0.274 1112 V C -0.134 175.975 176.094 0.024 0.000 1.004 1112 V CA -0.385 61.926 62.300 0.018 0.000 0.894 1112 V CB 1.197 33.031 31.823 0.018 0.000 1.046 1112 V HN 0.834 nan 8.190 nan 0.000 0.467 1113 S N 2.541 118.255 115.700 0.024 0.000 2.694 1113 S HA 0.389 4.860 4.470 0.001 0.000 0.278 1113 S C 1.094 175.703 174.600 0.015 0.000 1.152 1113 S CA -0.289 57.927 58.200 0.027 0.000 1.010 1113 S CB 1.425 64.645 63.200 0.033 0.000 1.104 1113 S HN 0.660 nan 8.310 nan 0.000 0.547 1114 Q N 0.863 120.671 119.800 0.013 0.000 1.800 1114 Q HA -0.151 4.189 4.340 0.001 0.000 0.292 1114 Q C 0.390 176.391 176.000 0.001 0.000 1.027 1114 Q CA 1.641 57.448 55.803 0.007 0.000 0.890 1114 Q CB -0.975 27.765 28.738 0.003 0.000 0.968 1114 Q HN 0.751 nan 8.270 nan 0.000 0.415 1115 E N 2.844 123.041 120.200 -0.004 0.000 1.944 1115 E HA 0.099 4.450 4.350 0.001 0.000 0.272 1115 E C -2.068 174.525 176.600 -0.012 0.000 1.195 1115 E CA -1.523 54.872 56.400 -0.009 0.000 0.926 1115 E CB 0.354 30.047 29.700 -0.012 0.000 1.051 1115 E HN 0.103 nan 8.360 nan 0.000 0.404 1116 P HA 0.262 nan 4.420 nan 0.000 0.296 1116 P C -0.644 176.646 177.300 -0.017 0.000 1.295 1116 P CA -0.484 62.607 63.100 -0.015 0.000 0.754 1116 P CB 0.705 32.398 31.700 -0.012 0.000 1.311 1117 I N -1.894 118.667 120.570 -0.016 0.000 2.591 1117 I HA 0.242 4.413 4.170 0.001 0.000 0.297 1117 I C -2.298 173.831 176.117 0.019 0.000 1.821 1117 I CA -0.658 60.640 61.300 -0.005 0.000 0.984 1117 I CB 1.064 39.056 38.000 -0.014 0.000 1.548 1117 I HN 0.175 nan 8.210 nan 0.000 0.542 1118 L N 5.958 127.218 121.223 0.061 0.000 2.528 1118 L HA 0.614 4.955 4.340 0.001 0.000 0.267 1118 L C -0.351 176.601 176.870 0.136 0.000 0.961 1118 L CA -0.551 54.374 54.840 0.142 0.000 0.866 1118 L CB 0.584 42.732 42.059 0.149 0.000 1.248 1118 L HN 0.552 nan 8.230 nan 0.000 0.404 1119 F N 2.444 122.391 119.950 -0.004 0.000 2.669 1119 F HA 0.031 4.559 4.527 0.001 0.000 0.344 1119 F C 1.219 177.008 175.800 -0.017 0.000 1.161 1119 F CA 0.414 58.403 58.000 -0.018 0.000 1.377 1119 F CB 0.541 39.527 39.000 -0.023 0.000 1.047 1119 F HN 0.933 nan 8.300 nan 0.000 0.627 1120 D N 1.726 121.655 120.400 -0.785 0.000 2.813 1120 D HA 0.061 4.702 4.640 0.001 0.000 0.248 1120 D C 0.167 176.245 176.300 -0.370 0.000 1.254 1120 D CA -0.066 53.610 54.000 -0.539 0.000 0.921 1120 D CB -1.019 39.424 40.800 -0.595 0.000 1.118 1120 D HN 0.271 nan 8.370 nan 0.000 0.450 1121 C N 0.058 119.258 119.300 -0.166 0.000 2.534 1121 C HA 0.682 5.143 4.460 0.001 0.000 0.398 1121 C C 0.966 175.913 174.990 -0.071 0.000 1.609 1121 C CA -0.716 58.272 59.018 -0.051 0.000 1.916 1121 C CB 1.081 28.851 27.740 0.050 0.000 1.954 1121 C HN 0.577 nan 8.230 nan 0.000 0.508 1122 S N 0.475 116.137 115.700 -0.063 0.000 2.646 1122 S HA 0.401 4.872 4.470 0.001 0.000 0.276 1122 S C 0.945 175.479 174.600 -0.111 0.000 1.222 1122 S CA -0.439 57.721 58.200 -0.068 0.000 1.014 1122 S CB 0.293 63.464 63.200 -0.050 0.000 0.991 1122 S HN 0.721 nan 8.310 nan 0.000 0.533 1123 I N -0.462 120.053 120.570 -0.092 0.000 2.208 1123 I HA -0.077 4.094 4.170 0.001 0.000 0.245 1123 I C 2.427 178.412 176.117 -0.220 0.000 1.097 1123 I CA 1.587 62.812 61.300 -0.126 0.000 1.363 1123 I CB -1.250 36.725 38.000 -0.041 0.000 1.051 1123 I HN 0.685 nan 8.210 nan 0.000 0.413 1124 A N 1.548 124.235 122.820 -0.221 0.000 1.873 1124 A HA -0.229 4.092 4.320 0.001 0.000 0.218 1124 A C 2.295 179.663 177.584 -0.359 0.000 1.193 1124 A CA 2.226 54.016 52.037 -0.412 0.000 0.629 1124 A CB -0.708 18.080 19.000 -0.353 0.000 0.826 1124 A HN 0.565 nan 8.150 nan 0.000 0.447 1125 E N 0.275 120.323 120.200 -0.253 0.000 2.017 1125 E HA -0.185 4.166 4.350 0.001 0.000 0.193 1125 E C 1.863 178.232 176.600 -0.385 0.000 0.997 1125 E CA 1.390 57.655 56.400 -0.224 0.000 0.804 1125 E CB -0.878 28.750 29.700 -0.120 0.000 0.757 1125 E HN 0.785 nan 8.360 nan 0.000 0.448 1126 N N 0.871 119.290 118.700 -0.469 0.000 2.023 1126 N HA -0.203 4.538 4.740 0.001 0.000 0.200 1126 N C 1.963 176.709 175.510 -1.273 0.000 1.048 1126 N CA 1.442 53.913 53.050 -0.964 0.000 0.872 1126 N CB -0.269 37.889 38.487 -0.548 0.000 1.070 1126 N HN 0.063 nan 8.380 nan 0.000 0.441 1127 I N 1.391 121.578 120.570 -0.638 0.000 2.113 1127 I HA -0.247 3.924 4.170 0.001 0.000 0.242 1127 I C 1.781 177.708 176.117 -0.317 0.000 1.057 1127 I CA 1.096 62.159 61.300 -0.395 0.000 1.314 1127 I CB -1.591 36.222 38.000 -0.311 0.000 1.022 1127 I HN 0.143 nan 8.210 nan 0.000 0.408 1128 A N 0.047 122.677 122.820 -0.316 0.000 2.604 1128 A HA -0.026 4.295 4.320 0.001 0.000 0.248 1128 A C -0.140 177.420 177.584 -0.041 0.000 1.466 1128 A CA -0.365 51.581 52.037 -0.152 0.000 1.222 1128 A CB -1.647 17.259 19.000 -0.155 0.000 0.945 1128 A HN 0.300 nan 8.150 nan 0.000 0.600 1129 Y N 0.256 120.577 120.300 0.034 0.000 2.839 1129 Y HA 0.027 4.578 4.550 0.001 0.000 0.381 1129 Y C 1.636 177.765 175.900 0.382 0.000 1.362 1129 Y CA 0.644 58.834 58.100 0.150 0.000 1.750 1129 Y CB -0.162 38.341 38.460 0.071 0.000 1.227 1129 Y HN 0.423 nan 8.280 nan 0.000 0.504 1130 G N 3.555 112.728 108.800 0.622 0.000 2.894 1130 G HA2 -0.073 3.887 3.960 0.001 0.000 0.265 1130 G HA3 -0.073 3.887 3.960 0.001 0.000 0.265 1130 G C 0.698 175.608 174.900 0.016 0.000 0.735 1130 G CA -0.081 45.197 45.100 0.295 0.000 2.064 1130 G HN 0.753 nan 8.290 nan 0.000 0.590 1131 D N 0.550 121.014 120.400 0.107 0.000 2.149 1131 D HA -0.163 4.478 4.640 0.001 0.000 0.194 1131 D C 1.499 177.691 176.300 -0.181 0.000 1.001 1131 D CA 2.001 55.958 54.000 -0.072 0.000 0.849 1131 D CB 0.031 40.868 40.800 0.061 0.000 0.939 1131 D HN 0.639 nan 8.370 nan 0.000 0.449 1132 N N -2.213 116.433 118.700 -0.090 0.000 3.701 1132 N HA 0.050 4.791 4.740 0.001 0.000 0.328 1132 N C 0.510 175.993 175.510 -0.043 0.000 1.359 1132 N CA 0.010 53.011 53.050 -0.082 0.000 0.622 1132 N CB 0.002 38.470 38.487 -0.032 0.000 3.393 1132 N HN -0.131 nan 8.380 nan 0.000 0.505 1133 S N -1.156 114.532 115.700 -0.020 0.000 2.493 1133 S HA -0.079 4.392 4.470 0.001 0.000 0.243 1133 S C 0.335 174.940 174.600 0.008 0.000 0.991 1133 S CA 0.153 58.349 58.200 -0.007 0.000 0.957 1133 S CB -0.679 62.521 63.200 0.000 0.000 0.756 1133 S HN 0.397 nan 8.310 nan 0.000 0.521 1134 R N 2.271 122.782 120.500 0.018 0.000 2.770 1134 R HA 0.062 4.402 4.340 0.001 0.000 0.361 1134 R C -0.025 176.295 176.300 0.033 0.000 0.860 1134 R CA 0.023 56.144 56.100 0.034 0.000 1.071 1134 R CB -1.233 29.098 30.300 0.052 0.000 0.907 1134 R HN 0.343 nan 8.270 nan 0.000 0.403 1135 V N 4.432 124.364 119.914 0.029 0.000 2.585 1135 V HA -0.032 4.089 4.120 0.001 0.000 0.296 1135 V C 0.725 176.835 176.094 0.027 0.000 1.035 1135 V CA -0.369 61.947 62.300 0.027 0.000 1.084 1135 V CB 1.163 33.003 31.823 0.027 0.000 0.953 1135 V HN 0.500 nan 8.190 nan 0.000 0.483 1136 V N 7.051 126.975 119.914 0.017 0.000 2.596 1136 V HA -0.049 4.072 4.120 0.001 0.000 0.260 1136 V C 1.050 177.149 176.094 0.007 0.000 0.968 1136 V CA 1.055 63.350 62.300 -0.008 0.000 1.172 1136 V CB -0.253 31.551 31.823 -0.030 0.000 1.014 1136 V HN 0.955 nan 8.190 nan 0.000 0.468 1137 S N 4.415 120.123 115.700 0.014 0.000 2.405 1137 S HA 0.193 4.664 4.470 0.001 0.000 0.291 1137 S C 0.766 175.401 174.600 0.058 0.000 1.137 1137 S CA -0.520 57.710 58.200 0.051 0.000 1.061 1137 S CB 0.042 63.271 63.200 0.049 0.000 1.001 1137 S HN 0.640 nan 8.310 nan 0.000 0.507 1138 Y N 4.940 125.228 120.300 -0.019 0.000 2.053 1138 Y HA -0.199 4.351 4.550 0.001 0.000 0.277 1138 Y C 2.382 178.297 175.900 0.024 0.000 1.159 1138 Y CA 2.557 60.648 58.100 -0.015 0.000 1.125 1138 Y CB -0.228 38.248 38.460 0.028 0.000 0.969 1138 Y HN 0.802 nan 8.280 nan 0.000 0.492 1139 E N -0.405 120.011 120.200 0.359 0.000 2.204 1139 E HA -0.206 4.145 4.350 0.001 0.000 0.194 1139 E C 1.874 178.574 176.600 0.166 0.000 0.989 1139 E CA 1.268 57.821 56.400 0.254 0.000 0.824 1139 E CB -0.499 29.287 29.700 0.145 0.000 0.756 1139 E HN 0.525 nan 8.360 nan 0.000 0.477 1140 E N 1.653 121.922 120.200 0.115 0.000 2.028 1140 E HA -0.125 4.226 4.350 0.001 0.000 0.191 1140 E C 2.444 179.068 176.600 0.041 0.000 0.988 1140 E CA 1.272 57.713 56.400 0.069 0.000 0.799 1140 E CB -0.219 29.511 29.700 0.049 0.000 0.755 1140 E HN 0.554 nan 8.360 nan 0.000 0.447 1141 I N -1.482 119.072 120.570 -0.026 0.000 2.361 1141 I HA -0.184 3.987 4.170 0.001 0.000 0.251 1141 I C 2.209 178.311 176.117 -0.026 0.000 1.133 1141 I CA 0.846 62.069 61.300 -0.129 0.000 1.413 1141 I CB -0.530 37.235 38.000 -0.392 0.000 1.073 1141 I HN -0.170 nan 8.210 nan 0.000 0.424 1142 V N 1.665 121.647 119.914 0.114 0.000 2.332 1142 V HA -0.270 3.850 4.120 0.001 0.000 0.248 1142 V C 2.879 179.120 176.094 0.245 0.000 1.055 1142 V CA 2.347 64.836 62.300 0.316 0.000 1.038 1142 V CB -1.011 31.034 31.823 0.369 0.000 0.651 1142 V HN 0.453 nan 8.190 nan 0.000 0.450 1143 R N 0.650 121.243 120.500 0.155 0.000 2.120 1143 R HA -0.069 4.272 4.340 0.001 0.000 0.234 1143 R C 2.104 178.467 176.300 0.104 0.000 1.123 1143 R CA 1.678 57.848 56.100 0.117 0.000 0.975 1143 R CB -0.770 29.580 30.300 0.084 0.000 0.866 1143 R HN 0.495 nan 8.270 nan 0.000 0.446 1144 A N -0.182 122.690 122.820 0.086 0.000 1.872 1144 A HA 0.062 4.383 4.320 0.001 0.000 0.214 1144 A C 2.296 179.938 177.584 0.095 0.000 1.187 1144 A CA 1.437 53.514 52.037 0.066 0.000 0.614 1144 A CB -0.930 18.081 19.000 0.018 0.000 0.826 1144 A HN 0.411 nan 8.150 nan 0.000 0.442 1145 A N -0.415 122.490 122.820 0.141 0.000 1.969 1145 A HA -0.064 4.257 4.320 0.001 0.000 0.218 1145 A C 2.085 179.819 177.584 0.251 0.000 1.169 1145 A CA 1.536 53.684 52.037 0.185 0.000 0.635 1145 A CB -0.276 18.845 19.000 0.202 0.000 0.810 1145 A HN 0.355 nan 8.150 nan 0.000 0.445 1146 K N -0.015 120.547 120.400 0.270 0.000 1.964 1146 K HA -0.179 4.141 4.320 0.001 0.000 0.218 1146 K C 1.972 178.639 176.600 0.112 0.000 1.043 1146 K CA 1.724 58.119 56.287 0.181 0.000 0.966 1146 K CB -0.766 31.811 32.500 0.127 0.000 0.739 1146 K HN 0.489 nan 8.250 nan 0.000 0.443 1147 E N 1.079 121.332 120.200 0.088 0.000 2.070 1147 E HA -0.160 4.190 4.350 0.001 0.000 0.197 1147 E C 1.759 178.397 176.600 0.063 0.000 1.004 1147 E CA 1.856 58.294 56.400 0.062 0.000 0.805 1147 E CB -0.430 29.301 29.700 0.051 0.000 0.744 1147 E HN 0.318 nan 8.360 nan 0.000 0.451 1148 A N 0.230 123.093 122.820 0.071 0.000 2.084 1148 A HA -0.233 4.087 4.320 0.001 0.000 0.221 1148 A C 0.848 178.472 177.584 0.067 0.000 1.161 1148 A CA 1.678 53.752 52.037 0.062 0.000 0.653 1148 A CB -0.732 18.303 19.000 0.059 0.000 0.802 1148 A HN 0.621 nan 8.150 nan 0.000 0.457 1149 N N -3.529 115.226 118.700 0.092 0.000 2.882 1149 N HA -0.186 4.555 4.740 0.001 0.000 0.249 1149 N C 0.266 175.854 175.510 0.129 0.000 1.079 1149 N CA 0.616 53.727 53.050 0.101 0.000 0.800 1149 N CB -1.112 37.419 38.487 0.072 0.000 1.124 1149 N HN 0.492 nan 8.380 nan 0.000 0.557 1150 I N 0.033 120.686 120.570 0.138 0.000 4.018 1150 I HA 0.091 4.262 4.170 0.001 0.000 0.337 1150 I C 1.657 177.902 176.117 0.215 0.000 1.327 1150 I CA 0.298 61.685 61.300 0.145 0.000 1.100 1150 I CB -0.196 37.831 38.000 0.045 0.000 1.025 1150 I HN 0.227 nan 8.210 nan 0.000 0.396 1151 H N 0.858 120.004 119.070 0.127 0.000 2.543 1151 H HA -0.091 4.466 4.556 0.001 0.000 0.286 1151 H C 1.446 176.826 175.328 0.087 0.000 1.037 1151 H CA 1.340 57.450 56.048 0.103 0.000 1.250 1151 H CB 0.381 30.189 29.762 0.077 0.000 1.373 1151 H HN 0.545 nan 8.280 nan 0.000 0.580 1152 Q N -1.057 118.910 119.800 0.278 0.000 2.083 1152 Q HA -0.108 4.233 4.340 0.001 0.000 0.198 1152 Q C 1.833 177.887 176.000 0.090 0.000 0.969 1152 Q CA 1.262 57.174 55.803 0.181 0.000 0.838 1152 Q CB -0.101 28.752 28.738 0.191 0.000 0.900 1152 Q HN 0.348 nan 8.270 nan 0.000 0.436 1153 F N -0.010 119.949 119.950 0.015 0.000 2.367 1153 F HA -0.046 4.482 4.527 0.001 0.000 0.298 1153 F C 1.810 177.579 175.800 -0.052 0.000 1.094 1153 F CA 0.388 58.382 58.000 -0.011 0.000 1.409 1153 F CB 0.002 38.999 39.000 -0.004 0.000 1.064 1153 F HN 0.008 nan 8.300 nan 0.000 0.528 1154 I N -0.143 120.471 120.570 0.073 0.000 2.439 1154 I HA -0.209 3.961 4.170 0.001 0.000 0.251 1154 I C 1.971 177.946 176.117 -0.235 0.000 1.139 1154 I CA 0.920 62.121 61.300 -0.165 0.000 1.438 1154 I CB -0.761 36.996 38.000 -0.405 0.000 1.085 1154 I HN 0.031 nan 8.210 nan 0.000 0.427 1155 D N 0.500 120.840 120.400 -0.099 0.000 2.174 1155 D HA -0.141 4.500 4.640 0.001 0.000 0.215 1155 D C 1.931 178.190 176.300 -0.068 0.000 1.021 1155 D CA 2.119 56.100 54.000 -0.031 0.000 0.910 1155 D CB -0.577 40.255 40.800 0.052 0.000 1.142 1155 D HN 0.386 nan 8.370 nan 0.000 0.473 1156 S N 0.360 116.023 115.700 -0.061 0.000 2.380 1156 S HA 0.132 4.602 4.470 0.001 0.000 0.168 1156 S C 0.361 174.923 174.600 -0.064 0.000 1.296 1156 S CA -0.533 57.628 58.200 -0.064 0.000 2.072 1156 S CB -0.012 63.145 63.200 -0.071 0.000 0.456 1156 S HN 0.316 nan 8.310 nan 0.000 0.388 1157 L N 0.926 122.109 121.223 -0.067 0.000 3.244 1157 L HA -0.058 4.283 4.340 0.001 0.000 0.589 1157 L C -2.497 174.360 176.870 -0.020 0.000 1.005 1157 L CA -0.089 54.727 54.840 -0.040 0.000 1.258 1157 L CB -2.425 39.626 42.059 -0.014 0.000 1.311 1157 L HN 0.510 nan 8.230 nan 0.000 0.677 1158 P HA -0.029 nan 4.420 nan 0.000 0.258 1158 P C 0.640 177.937 177.300 -0.004 0.000 1.128 1158 P CA 1.121 64.214 63.100 -0.011 0.000 0.760 1158 P CB 0.322 32.017 31.700 -0.007 0.000 0.715 1159 D N 0.723 121.120 120.400 -0.006 0.000 2.384 1159 D HA -0.154 4.486 4.640 0.001 0.000 0.170 1159 D C 0.736 177.035 176.300 -0.002 0.000 1.010 1159 D CA 1.587 55.589 54.000 0.003 0.000 1.035 1159 D CB -1.065 39.742 40.800 0.011 0.000 1.093 1159 D HN 0.553 nan 8.370 nan 0.000 0.476 1160 K N -1.893 118.491 120.400 -0.028 0.000 2.009 1160 K HA -0.309 4.012 4.320 0.001 0.000 0.262 1160 K C 0.949 177.550 176.600 0.000 0.000 1.647 1160 K CA 1.409 57.642 56.287 -0.090 0.000 0.655 1160 K CB -1.816 30.582 32.500 -0.170 0.000 0.797 1160 K HN 0.231 nan 8.250 nan 0.000 0.855 1161 Y N 1.292 121.543 120.300 -0.082 0.000 2.374 1161 Y HA -0.311 4.240 4.550 0.001 0.000 0.277 1161 Y C 2.138 177.976 175.900 -0.102 0.000 1.212 1161 Y CA 1.069 59.093 58.100 -0.126 0.000 1.334 1161 Y CB -0.319 38.016 38.460 -0.208 0.000 0.970 1161 Y HN 0.337 nan 8.280 nan 0.000 0.568 1162 N N -0.560 118.196 118.700 0.092 0.000 2.415 1162 N HA -0.044 4.697 4.740 0.001 0.000 0.176 1162 N C 0.417 175.938 175.510 0.017 0.000 1.042 1162 N CA 0.538 53.611 53.050 0.039 0.000 0.902 1162 N CB -0.205 38.304 38.487 0.037 0.000 0.986 1162 N HN 0.055 nan 8.380 nan 0.000 0.447 1163 T N 2.466 117.033 114.554 0.022 0.000 2.800 1163 T HA -0.082 4.269 4.350 0.001 0.000 0.283 1163 T C 0.783 175.478 174.700 -0.009 0.000 0.999 1163 T CA 0.379 62.485 62.100 0.010 0.000 1.176 1163 T CB 0.630 69.512 68.868 0.023 0.000 0.973 1163 T HN 0.124 nan 8.240 nan 0.000 0.519 1164 R N 2.604 123.092 120.500 -0.020 0.000 2.641 1164 R HA 0.171 4.512 4.340 0.001 0.000 0.269 1164 R C 1.869 178.142 176.300 -0.044 0.000 1.074 1164 R CA -0.363 55.712 56.100 -0.041 0.000 1.133 1164 R CB 0.491 30.762 30.300 -0.048 0.000 1.029 1164 R HN 0.573 nan 8.270 nan 0.000 0.488 1165 V N 0.975 120.851 119.914 -0.063 0.000 2.613 1165 V HA -0.093 4.028 4.120 0.001 0.000 0.259 1165 V C 0.939 177.004 176.094 -0.048 0.000 1.099 1165 V CA 1.398 63.663 62.300 -0.057 0.000 1.115 1165 V CB -1.564 30.215 31.823 -0.072 0.000 0.686 1165 V HN 1.088 nan 8.190 nan 0.000 0.481 1166 G N 0.708 109.476 108.800 -0.053 0.000 2.738 1166 G HA2 -0.049 3.912 3.960 0.001 0.000 0.262 1166 G HA3 -0.049 3.912 3.960 0.001 0.000 0.262 1166 G C -0.068 174.803 174.900 -0.047 0.000 1.032 1166 G CA 0.696 45.771 45.100 -0.041 0.000 1.278 1166 G HN 1.975 nan 8.290 nan 0.000 0.537 1167 D N 0.209 120.573 120.400 -0.060 0.000 2.767 1167 D HA -0.123 4.517 4.640 0.001 0.000 0.239 1167 D C 1.053 177.311 176.300 -0.070 0.000 1.103 1167 D CA 1.917 55.882 54.000 -0.059 0.000 0.710 1167 D CB -0.908 39.868 40.800 -0.040 0.000 1.084 1167 D HN 1.474 nan 8.370 nan 0.000 0.435 1168 K N -1.762 118.575 120.400 -0.104 0.000 3.547 1168 K HA -0.117 4.204 4.320 0.001 0.000 0.309 1168 K C 1.319 177.872 176.600 -0.078 0.000 1.324 1168 K CA 2.072 58.290 56.287 -0.115 0.000 0.988 1168 K CB -1.779 30.669 32.500 -0.087 0.000 1.261 1168 K HN 1.229 nan 8.250 nan 0.000 0.444 1169 G N -1.836 106.926 108.800 -0.063 0.000 2.336 1169 G HA2 -0.214 3.746 3.960 0.001 0.000 0.194 1169 G HA3 -0.214 3.746 3.960 0.001 0.000 0.194 1169 G C 0.276 175.156 174.900 -0.034 0.000 0.999 1169 G CA -0.047 45.025 45.100 -0.046 0.000 0.669 1169 G HN 0.224 nan 8.290 nan 0.000 0.482 1170 T N 1.911 116.446 114.554 -0.030 0.000 4.612 1170 T HA 0.339 4.689 4.350 0.001 0.000 0.226 1170 T C 1.234 175.927 174.700 -0.012 0.000 0.789 1170 T CA 1.422 63.510 62.100 -0.021 0.000 0.896 1170 T CB -0.541 68.315 68.868 -0.020 0.000 1.419 1170 T HN 0.924 nan 8.240 nan 0.000 0.898 1171 Q N -0.219 119.575 119.800 -0.009 0.000 1.842 1171 Q HA 0.282 4.622 4.340 0.001 0.000 0.180 1171 Q C -0.332 175.680 176.000 0.020 0.000 0.751 1171 Q CA -0.321 55.487 55.803 0.008 0.000 0.861 1171 Q CB 0.384 29.128 28.738 0.010 0.000 1.223 1171 Q HN 0.362 nan 8.270 nan 0.000 0.401 1172 L N 1.381 122.597 121.223 -0.011 0.000 2.408 1172 L HA 0.586 4.927 4.340 0.001 0.000 0.268 1172 L C -0.285 176.550 176.870 -0.058 0.000 0.986 1172 L CA -1.119 53.694 54.840 -0.046 0.000 0.820 1172 L CB 2.168 44.160 42.059 -0.112 0.000 1.303 1172 L HN 0.077 nan 8.230 nan 0.000 0.411 1173 S N 1.098 116.762 115.700 -0.060 0.000 2.584 1173 S HA 0.182 4.652 4.470 0.001 0.000 0.270 1173 S C 1.383 175.940 174.600 -0.071 0.000 1.346 1173 S CA 0.313 58.487 58.200 -0.043 0.000 1.018 1173 S CB 1.405 64.598 63.200 -0.013 0.000 0.899 1173 S HN 0.819 nan 8.310 nan 0.000 0.542 1174 G N 2.875 111.649 108.800 -0.043 0.000 2.475 1174 G HA2 -0.145 3.816 3.960 0.001 0.000 0.220 1174 G HA3 -0.145 3.816 3.960 0.001 0.000 0.220 1174 G C 1.376 176.246 174.900 -0.051 0.000 1.125 1174 G CA 0.945 46.020 45.100 -0.041 0.000 0.755 1174 G HN 0.919 nan 8.290 nan 0.000 0.565 1175 G N 0.402 109.171 108.800 -0.051 0.000 2.480 1175 G HA2 -0.222 3.739 3.960 0.001 0.000 0.216 1175 G HA3 -0.222 3.739 3.960 0.001 0.000 0.216 1175 G C 1.754 176.593 174.900 -0.102 0.000 1.200 1175 G CA 1.443 46.512 45.100 -0.052 0.000 0.782 1175 G HN 0.435 nan 8.290 nan 0.000 0.554 1176 Q N 0.613 120.295 119.800 -0.196 0.000 1.967 1176 Q HA -0.103 4.238 4.340 0.001 0.000 0.210 1176 Q C 2.578 178.459 176.000 -0.198 0.000 1.005 1176 Q CA 1.955 57.556 55.803 -0.337 0.000 0.862 1176 Q CB -0.383 27.992 28.738 -0.604 0.000 0.939 1176 Q HN 0.499 nan 8.270 nan 0.000 0.417 1177 K N 0.029 120.339 120.400 -0.150 0.000 2.077 1177 K HA -0.270 4.050 4.320 0.001 0.000 0.213 1177 K C 2.176 178.748 176.600 -0.046 0.000 1.051 1177 K CA 1.624 57.862 56.287 -0.082 0.000 0.929 1177 K CB -0.219 32.247 32.500 -0.056 0.000 0.715 1177 K HN 0.224 nan 8.250 nan 0.000 0.451 1178 Q N 0.586 120.360 119.800 -0.044 0.000 2.061 1178 Q HA -0.144 4.196 4.340 0.001 0.000 0.204 1178 Q C 2.124 178.117 176.000 -0.012 0.000 0.984 1178 Q CA 1.442 57.233 55.803 -0.019 0.000 0.846 1178 Q CB -0.284 28.445 28.738 -0.015 0.000 0.902 1178 Q HN 0.358 nan 8.270 nan 0.000 0.421 1179 R N 0.075 120.555 120.500 -0.033 0.000 2.117 1179 R HA -0.129 4.212 4.340 0.001 0.000 0.243 1179 R C 2.360 178.659 176.300 -0.001 0.000 1.143 1179 R CA 1.336 57.425 56.100 -0.017 0.000 0.968 1179 R CB -0.440 29.834 30.300 -0.043 0.000 0.863 1179 R HN 0.302 nan 8.270 nan 0.000 0.444 1180 I N 0.160 120.721 120.570 -0.015 0.000 2.439 1180 I HA -0.170 4.001 4.170 0.001 0.000 0.251 1180 I C 2.608 178.770 176.117 0.076 0.000 1.139 1180 I CA 0.751 62.058 61.300 0.011 0.000 1.438 1180 I CB -0.420 37.574 38.000 -0.011 0.000 1.085 1180 I HN 0.160 nan 8.210 nan 0.000 0.427 1181 A N 1.570 124.427 122.820 0.061 0.000 1.851 1181 A HA -0.221 4.100 4.320 0.001 0.000 0.216 1181 A C 2.164 179.787 177.584 0.065 0.000 1.195 1181 A CA 1.810 53.887 52.037 0.067 0.000 0.622 1181 A CB -0.821 18.193 19.000 0.024 0.000 0.831 1181 A HN 0.256 nan 8.150 nan 0.000 0.444 1182 I N 0.377 120.974 120.570 0.044 0.000 2.151 1182 I HA -0.296 3.875 4.170 0.001 0.000 0.243 1182 I C 2.939 179.090 176.117 0.057 0.000 1.080 1182 I CA 1.491 62.816 61.300 0.042 0.000 1.339 1182 I CB -0.794 37.226 38.000 0.033 0.000 1.039 1182 I HN 0.347 nan 8.210 nan 0.000 0.409 1183 A N 0.295 123.151 122.820 0.059 0.000 1.927 1183 A HA -0.330 3.991 4.320 0.001 0.000 0.220 1183 A C 2.499 180.136 177.584 0.088 0.000 1.185 1183 A CA 2.349 54.422 52.037 0.059 0.000 0.639 1183 A CB -0.799 18.222 19.000 0.035 0.000 0.820 1183 A HN 0.443 nan 8.150 nan 0.000 0.451 1184 R N -0.393 120.198 120.500 0.152 0.000 2.127 1184 R HA -0.162 4.179 4.340 0.001 0.000 0.228 1184 R C 2.360 178.742 176.300 0.136 0.000 1.125 1184 R CA 2.011 58.261 56.100 0.251 0.000 0.904 1184 R CB -0.803 29.661 30.300 0.273 0.000 0.831 1184 R HN 0.409 nan 8.270 nan 0.000 0.431 1185 A N 1.484 124.354 122.820 0.084 0.000 1.873 1185 A HA -0.282 4.038 4.320 0.001 0.000 0.219 1185 A C 2.264 179.881 177.584 0.054 0.000 1.269 1185 A CA 2.669 54.739 52.037 0.054 0.000 0.671 1185 A CB -1.233 17.788 19.000 0.035 0.000 0.842 1185 A HN 0.585 nan 8.150 nan 0.000 0.460 1186 L N -1.657 119.595 121.223 0.049 0.000 2.187 1186 L HA -0.047 4.294 4.340 0.001 0.000 0.213 1186 L C 2.029 178.928 176.870 0.050 0.000 1.100 1186 L CA 1.714 56.578 54.840 0.040 0.000 0.765 1186 L CB -1.319 40.762 42.059 0.037 0.000 0.904 1186 L HN 0.064 nan 8.230 nan 0.000 0.437 1187 V N 0.025 119.978 119.914 0.064 0.000 2.515 1187 V HA -0.177 3.944 4.120 0.001 0.000 0.250 1187 V C 2.908 179.047 176.094 0.075 0.000 1.058 1187 V CA 1.955 64.295 62.300 0.066 0.000 1.064 1187 V CB -0.653 31.216 31.823 0.077 0.000 0.675 1187 V HN 0.585 nan 8.190 nan 0.000 0.461 1188 R N -0.336 120.213 120.500 0.081 0.000 2.276 1188 R HA 0.012 4.353 4.340 0.001 0.000 0.196 1188 R C 0.519 176.864 176.300 0.074 0.000 0.961 1188 R CA 0.148 56.295 56.100 0.079 0.000 1.024 1188 R CB 0.184 30.529 30.300 0.074 0.000 0.940 1188 R HN 0.446 nan 8.270 nan 0.000 0.480 1189 Q N -0.688 119.148 119.800 0.059 0.000 2.468 1189 Q HA -0.141 4.200 4.340 0.001 0.000 0.289 1189 Q C -2.207 173.832 176.000 0.066 0.000 1.299 1189 Q CA 0.598 56.429 55.803 0.046 0.000 0.838 1189 Q CB -1.764 27.012 28.738 0.062 0.000 1.195 1189 Q HN 0.355 nan 8.270 nan 0.000 0.456 1190 P HA -0.071 nan 4.420 nan 0.000 0.273 1190 P C 0.543 177.898 177.300 0.092 0.000 1.248 1190 P CA 0.473 63.625 63.100 0.087 0.000 0.817 1190 P CB 0.343 32.056 31.700 0.022 0.000 0.995 1191 H N -1.478 117.555 119.070 -0.061 0.000 3.230 1191 H HA 0.453 5.010 4.556 0.001 0.000 0.259 1191 H C -0.338 174.958 175.328 -0.053 0.000 1.195 1191 H CA 0.041 56.063 56.048 -0.044 0.000 1.112 1191 H CB 0.400 30.134 29.762 -0.047 0.000 1.638 1191 H HN 0.095 nan 8.280 nan 0.000 0.624 1192 I N 1.530 122.122 120.570 0.036 0.000 2.710 1192 I HA 0.229 4.399 4.170 0.001 0.000 0.290 1192 I C -1.676 174.436 176.117 -0.009 0.000 1.318 1192 I CA -0.607 60.692 61.300 -0.001 0.000 1.045 1192 I CB 1.802 39.780 38.000 -0.036 0.000 1.307 1192 I HN 0.034 nan 8.210 nan 0.000 0.424 1193 L N 7.571 128.794 121.223 -0.001 0.000 2.316 1193 L HA 0.482 4.823 4.340 0.001 0.000 0.280 1193 L C -0.494 176.383 176.870 0.011 0.000 1.006 1193 L CA -0.643 54.199 54.840 0.004 0.000 0.836 1193 L CB 1.611 43.674 42.059 0.008 0.000 1.221 1193 L HN 0.364 nan 8.230 nan 0.000 0.418 1194 L N 5.299 126.529 121.223 0.011 0.000 2.356 1194 L HA 0.251 4.592 4.340 0.001 0.000 0.282 1194 L C -0.663 176.225 176.870 0.030 0.000 1.132 1194 L CA -0.535 54.319 54.840 0.023 0.000 0.923 1194 L CB 0.400 42.471 42.059 0.020 0.000 1.278 1194 L HN 0.435 nan 8.230 nan 0.000 0.436 1195 L N 3.241 124.483 121.223 0.032 0.000 2.282 1195 L HA 0.220 4.561 4.340 0.001 0.000 0.287 1195 L C 0.504 177.396 176.870 0.038 0.000 1.075 1195 L CA 0.339 55.199 54.840 0.033 0.000 0.839 1195 L CB 0.470 42.547 42.059 0.031 0.000 1.219 1195 L HN 0.347 nan 8.230 nan 0.000 0.434 1196 D N 4.789 125.213 120.400 0.039 0.000 2.524 1196 D HA 0.075 4.715 4.640 0.001 0.000 0.222 1196 D C 0.312 176.633 176.300 0.035 0.000 1.142 1196 D CA -0.031 53.993 54.000 0.040 0.000 0.973 1196 D CB 0.303 41.130 40.800 0.045 0.000 1.025 1196 D HN 0.653 nan 8.370 nan 0.000 0.519 1197 E N 0.905 121.129 120.200 0.040 0.000 2.885 1197 E HA -0.379 3.971 4.350 0.001 0.000 0.267 1197 E C 1.327 177.948 176.600 0.034 0.000 1.100 1197 E CA 0.371 56.797 56.400 0.044 0.000 0.779 1197 E CB -1.172 28.557 29.700 0.049 0.000 1.383 1197 E HN 0.632 nan 8.360 nan 0.000 0.443 1198 A N 0.503 123.341 122.820 0.029 0.000 2.262 1198 A HA -0.386 3.934 4.320 0.001 0.000 0.280 1198 A C 1.429 179.024 177.584 0.019 0.000 3.215 1198 A CA 2.832 54.882 52.037 0.022 0.000 1.023 1198 A CB -1.808 17.205 19.000 0.022 0.000 0.585 1198 A HN 0.782 nan 8.150 nan 0.000 0.462 1199 T N -2.729 111.837 114.554 0.020 0.000 2.738 1199 T HA 0.511 4.862 4.350 0.001 0.000 0.293 1199 T C 0.036 174.750 174.700 0.024 0.000 0.913 1199 T CA 0.512 62.623 62.100 0.017 0.000 1.103 1199 T CB 1.219 70.097 68.868 0.016 0.000 0.880 1199 T HN 1.188 nan 8.240 nan 0.000 0.526 1200 S N 1.879 117.592 115.700 0.022 0.000 2.865 1200 S HA 0.544 5.015 4.470 0.001 0.000 0.240 1200 S C 0.045 174.659 174.600 0.022 0.000 0.795 1200 S CA -0.021 58.197 58.200 0.031 0.000 1.073 1200 S CB -0.557 62.665 63.200 0.037 0.000 1.393 1200 S HN 1.455 nan 8.310 nan 0.000 0.491 1201 A N 0.890 123.719 122.820 0.015 0.000 2.089 1201 A HA 0.481 4.801 4.320 0.001 0.000 0.232 1201 A C -1.035 176.553 177.584 0.006 0.000 2.448 1201 A CA -0.184 51.859 52.037 0.010 0.000 1.981 1201 A CB -0.756 18.248 19.000 0.006 0.000 0.555 1201 A HN 0.497 nan 8.150 nan 0.000 0.915 1202 L N 0.323 121.550 121.223 0.008 0.000 2.539 1202 L HA 1.010 5.351 4.340 0.001 0.000 0.251 1202 L C -0.924 175.951 176.870 0.008 0.000 1.382 1202 L CA 0.664 55.508 54.840 0.007 0.000 1.448 1202 L CB 1.440 43.503 42.059 0.007 0.000 1.824 1202 L HN 0.646 nan 8.230 nan 0.000 0.544 1203 D N -2.966 117.440 120.400 0.010 0.000 2.809 1203 D HA 0.183 4.824 4.640 0.001 0.000 0.336 1203 D C -1.281 175.027 176.300 0.013 0.000 1.367 1203 D CA -0.067 53.939 54.000 0.010 0.000 0.815 1203 D CB -0.179 40.627 40.800 0.009 0.000 1.381 1203 D HN 0.480 nan 8.370 nan 0.000 0.471 1204 T N 0.030 114.591 114.554 0.012 0.000 2.746 1204 T HA -0.040 4.311 4.350 0.001 0.000 0.267 1204 T C 0.777 175.491 174.700 0.023 0.000 1.022 1204 T CA 1.360 63.469 62.100 0.015 0.000 1.144 1204 T CB -0.221 68.655 68.868 0.013 0.000 1.061 1204 T HN 0.632 nan 8.240 nan 0.000 0.470 1205 E N -0.012 120.202 120.200 0.023 0.000 3.436 1205 E HA -0.308 4.043 4.350 0.001 0.000 0.284 1205 E C 1.537 178.159 176.600 0.037 0.000 0.830 1205 E CA 1.527 57.945 56.400 0.031 0.000 0.908 1205 E CB -1.302 28.421 29.700 0.039 0.000 1.458 1205 E HN 0.703 nan 8.360 nan 0.000 0.467 1206 S N -0.271 115.448 115.700 0.031 0.000 2.384 1206 S HA -0.028 4.442 4.470 0.001 0.000 0.217 1206 S C 1.571 176.183 174.600 0.020 0.000 1.041 1206 S CA 0.741 58.957 58.200 0.027 0.000 0.948 1206 S CB 0.045 63.257 63.200 0.020 0.000 0.872 1206 S HN 0.284 nan 8.310 nan 0.000 0.512 1207 E N 1.618 121.828 120.200 0.017 0.000 2.110 1207 E HA -0.138 4.213 4.350 0.001 0.000 0.193 1207 E C 2.029 178.639 176.600 0.017 0.000 0.988 1207 E CA 0.722 57.131 56.400 0.015 0.000 0.804 1207 E CB -0.068 29.639 29.700 0.012 0.000 0.745 1207 E HN 0.173 nan 8.360 nan 0.000 0.458 1208 K N 1.479 121.890 120.400 0.018 0.000 1.973 1208 K HA -0.118 4.202 4.320 0.001 0.000 0.212 1208 K C 2.226 178.840 176.600 0.022 0.000 1.047 1208 K CA 1.062 57.360 56.287 0.018 0.000 0.937 1208 K CB -0.676 31.834 32.500 0.018 0.000 0.721 1208 K HN 0.111 nan 8.250 nan 0.000 0.440 1209 V N 1.269 121.200 119.914 0.028 0.000 2.568 1209 V HA -0.180 3.941 4.120 0.001 0.000 0.253 1209 V C 2.382 178.494 176.094 0.030 0.000 1.072 1209 V CA 1.467 63.787 62.300 0.033 0.000 1.084 1209 V CB -0.005 31.845 31.823 0.046 0.000 0.676 1209 V HN 0.177 nan 8.190 nan 0.000 0.469 1210 V N -0.353 119.576 119.914 0.025 0.000 2.283 1210 V HA -0.203 3.918 4.120 0.001 0.000 0.243 1210 V C 2.543 178.650 176.094 0.022 0.000 1.039 1210 V CA 2.031 64.343 62.300 0.021 0.000 1.016 1210 V CB -0.632 31.201 31.823 0.016 0.000 0.650 1210 V HN 0.518 nan 8.190 nan 0.000 0.449 1211 Q N -0.409 119.403 119.800 0.021 0.000 2.291 1211 Q HA -0.187 4.154 4.340 0.001 0.000 0.206 1211 Q C 2.211 178.223 176.000 0.020 0.000 0.976 1211 Q CA 1.156 56.971 55.803 0.020 0.000 0.875 1211 Q CB -0.232 28.517 28.738 0.019 0.000 0.927 1211 Q HN 0.660 nan 8.270 nan 0.000 0.450 1212 E N 0.481 120.693 120.200 0.021 0.000 2.060 1212 E HA -0.036 4.315 4.350 0.001 0.000 0.189 1212 E C 1.740 178.354 176.600 0.022 0.000 0.974 1212 E CA 0.945 57.358 56.400 0.020 0.000 0.808 1212 E CB 0.128 29.841 29.700 0.021 0.000 0.768 1212 E HN 0.171 nan 8.360 nan 0.000 0.453 1213 A N 2.045 124.880 122.820 0.026 0.000 1.898 1213 A HA -0.107 4.214 4.320 0.001 0.000 0.216 1213 A C 2.396 179.994 177.584 0.024 0.000 1.181 1213 A CA 1.267 53.321 52.037 0.029 0.000 0.620 1213 A CB -0.818 18.203 19.000 0.034 0.000 0.819 1213 A HN 0.387 nan 8.150 nan 0.000 0.442 1214 L N -0.468 120.769 121.223 0.023 0.000 2.201 1214 L HA -0.174 4.167 4.340 0.001 0.000 0.212 1214 L C 2.037 178.918 176.870 0.018 0.000 1.105 1214 L CA 2.302 57.155 54.840 0.021 0.000 0.775 1214 L CB -0.306 41.766 42.059 0.022 0.000 0.913 1214 L HN 0.511 nan 8.230 nan 0.000 0.440 1215 D N -0.211 120.200 120.400 0.018 0.000 2.117 1215 D HA -0.196 4.444 4.640 0.001 0.000 0.198 1215 D C 1.991 178.299 176.300 0.013 0.000 0.982 1215 D CA 1.245 55.255 54.000 0.016 0.000 0.828 1215 D CB 0.194 41.003 40.800 0.016 0.000 0.967 1215 D HN 0.084 nan 8.370 nan 0.000 0.464 1216 K N -0.142 120.267 120.400 0.014 0.000 2.361 1216 K HA 0.218 4.539 4.320 0.001 0.000 0.196 1216 K C 1.728 178.334 176.600 0.009 0.000 1.039 1216 K CA 0.605 56.899 56.287 0.011 0.000 1.001 1216 K CB 0.270 32.779 32.500 0.014 0.000 0.795 1216 K HN 0.170 nan 8.250 nan 0.000 0.495 1217 A N 2.188 125.015 122.820 0.012 0.000 2.167 1217 A HA -0.085 4.236 4.320 0.001 0.000 0.214 1217 A C 1.212 178.798 177.584 0.003 0.000 1.151 1217 A CA 0.358 52.401 52.037 0.010 0.000 0.735 1217 A CB -0.156 18.854 19.000 0.017 0.000 0.802 1217 A HN 0.318 nan 8.150 nan 0.000 0.467 1218 R N -2.460 118.043 120.500 0.005 0.000 3.006 1218 R HA 0.626 4.967 4.340 0.001 0.000 0.235 1218 R C 0.561 176.861 176.300 -0.001 0.000 1.362 1218 R CA 0.294 56.395 56.100 0.002 0.000 1.067 1218 R CB 0.438 30.744 30.300 0.010 0.000 1.396 1218 R HN -0.005 nan 8.270 nan 0.000 0.504 1219 E N -1.329 118.871 120.200 -0.000 0.000 4.250 1219 E HA -0.211 4.140 4.350 0.001 0.000 0.325 1219 E C 0.897 177.491 176.600 -0.009 0.000 0.640 1219 E CA 2.189 58.589 56.400 -0.001 0.000 1.343 1219 E CB -1.701 28.001 29.700 0.003 0.000 1.759 1219 E HN 0.912 nan 8.360 nan 0.000 0.401 1220 G N -0.071 108.717 108.800 -0.020 0.000 2.539 1220 G HA2 0.039 4.000 3.960 0.001 0.000 0.215 1220 G HA3 0.039 4.000 3.960 0.001 0.000 0.215 1220 G C 0.595 175.462 174.900 -0.054 0.000 1.141 1220 G CA 0.491 45.570 45.100 -0.034 0.000 0.806 1220 G HN 0.351 nan 8.290 nan 0.000 0.533 1221 R N 0.436 120.905 120.500 -0.052 0.000 2.725 1221 R HA 0.386 4.727 4.340 0.001 0.000 0.277 1221 R C -1.058 175.231 176.300 -0.018 0.000 0.987 1221 R CA -0.640 55.426 56.100 -0.057 0.000 0.901 1221 R CB -0.399 29.833 30.300 -0.113 0.000 1.207 1221 R HN -0.119 nan 8.270 nan 0.000 0.463 1222 T N 1.576 116.131 114.554 0.002 0.000 2.939 1222 T HA 0.177 4.528 4.350 0.001 0.000 0.319 1222 T C 0.150 174.855 174.700 0.009 0.000 1.082 1222 T CA 0.508 62.615 62.100 0.011 0.000 1.133 1222 T CB -0.396 68.484 68.868 0.019 0.000 1.019 1222 T HN 0.783 nan 8.240 nan 0.000 0.548 1223 C N 2.446 121.755 119.300 0.014 0.000 2.833 1223 C HA 0.498 4.959 4.460 0.001 0.000 0.383 1223 C C -0.300 174.706 174.990 0.026 0.000 1.058 1223 C CA -1.377 57.651 59.018 0.017 0.000 1.259 1223 C CB -1.053 26.695 27.740 0.014 0.000 1.726 1223 C HN 0.865 nan 8.230 nan 0.000 0.484 1224 I N 2.790 123.379 120.570 0.032 0.000 2.379 1224 I HA 0.314 4.485 4.170 0.001 0.000 0.290 1224 I C 0.203 176.344 176.117 0.039 0.000 1.063 1224 I CA 0.205 61.531 61.300 0.043 0.000 1.351 1224 I CB 1.116 39.152 38.000 0.060 0.000 1.410 1224 I HN 0.644 nan 8.210 nan 0.000 0.505 1225 V N 9.066 129.003 119.914 0.039 0.000 2.334 1225 V HA 0.467 4.588 4.120 0.001 0.000 0.281 1225 V C 0.063 176.183 176.094 0.043 0.000 1.016 1225 V CA -0.531 61.792 62.300 0.039 0.000 0.832 1225 V CB 1.139 32.985 31.823 0.037 0.000 0.999 1225 V HN 0.568 nan 8.190 nan 0.000 0.439 1226 I N 5.095 125.691 120.570 0.044 0.000 2.566 1226 I HA 1.013 5.184 4.170 0.001 0.000 0.303 1226 I C -0.123 176.027 176.117 0.055 0.000 0.983 1226 I CA -0.224 61.105 61.300 0.048 0.000 1.235 1226 I CB 1.713 39.739 38.000 0.042 0.000 1.386 1226 I HN 0.779 nan 8.210 nan 0.000 0.494 1227 A N 3.034 125.895 122.820 0.068 0.000 2.567 1227 A HA 0.451 4.771 4.320 0.001 0.000 0.291 1227 A C -1.220 176.440 177.584 0.127 0.000 1.048 1227 A CA -0.568 51.519 52.037 0.083 0.000 0.661 1227 A CB 0.831 19.868 19.000 0.061 0.000 1.288 1227 A HN 0.884 nan 8.150 nan 0.000 0.424 1228 H N 0.292 119.370 119.070 0.013 0.000 2.467 1228 H HA 0.386 4.943 4.556 0.001 0.000 0.275 1228 H C -0.143 175.187 175.328 0.004 0.000 1.131 1228 H CA -0.064 55.988 56.048 0.006 0.000 0.989 1228 H CB 0.211 29.974 29.762 0.000 0.000 1.696 1228 H HN 0.306 nan 8.280 nan 0.000 0.574 1229 R N 1.747 122.220 120.500 -0.044 0.000 3.436 1229 R HA 0.150 4.490 4.340 0.001 0.000 0.247 1229 R C 0.587 176.843 176.300 -0.073 0.000 1.434 1229 R CA -0.242 55.819 56.100 -0.065 0.000 1.543 1229 R CB -0.425 29.872 30.300 -0.005 0.000 1.289 1229 R HN 0.513 nan 8.270 nan 0.000 0.664 1230 L N 0.120 121.249 121.223 -0.157 0.000 2.651 1230 L HA -0.217 4.124 4.340 0.001 0.000 0.236 1230 L C 1.789 178.628 176.870 -0.052 0.000 1.173 1230 L CA 1.105 55.868 54.840 -0.128 0.000 0.843 1230 L CB -0.483 41.446 42.059 -0.218 0.000 0.964 1230 L HN 0.376 nan 8.230 nan 0.000 0.454 1231 S N -1.886 113.794 115.700 -0.034 0.000 2.541 1231 S HA -0.077 4.394 4.470 0.001 0.000 0.219 1231 S C 1.774 176.391 174.600 0.029 0.000 1.025 1231 S CA 0.516 58.714 58.200 -0.004 0.000 0.917 1231 S CB -0.550 62.635 63.200 -0.025 0.000 0.859 1231 S HN 0.382 nan 8.310 nan 0.000 0.584 1232 T N -0.378 114.188 114.554 0.020 0.000 3.252 1232 T HA 0.347 4.698 4.350 0.001 0.000 0.250 1232 T C 1.251 175.984 174.700 0.054 0.000 1.123 1232 T CA 0.050 62.169 62.100 0.031 0.000 1.006 1232 T CB -0.630 68.251 68.868 0.021 0.000 0.992 1232 T HN 0.458 nan 8.240 nan 0.000 0.547 1233 I N 0.104 120.721 120.570 0.078 0.000 3.226 1233 I HA -0.037 4.134 4.170 0.001 0.000 0.277 1233 I C 2.325 178.539 176.117 0.163 0.000 1.243 1233 I CA 0.268 61.629 61.300 0.101 0.000 1.459 1233 I CB -0.065 37.993 38.000 0.096 0.000 1.093 1233 I HN 0.250 nan 8.210 nan 0.000 0.453 1234 Q N 1.602 121.533 119.800 0.219 0.000 2.082 1234 Q HA -0.233 4.108 4.340 0.001 0.000 0.211 1234 Q C 0.609 176.708 176.000 0.165 0.000 1.002 1234 Q CA 1.755 57.734 55.803 0.293 0.000 0.868 1234 Q CB -0.694 28.082 28.738 0.065 0.000 0.931 1234 Q HN 0.642 nan 8.270 nan 0.000 0.414 1235 N N 0.939 119.692 118.700 0.088 0.000 2.950 1235 N HA 0.183 4.923 4.740 0.001 0.000 0.313 1235 N C -0.973 174.574 175.510 0.061 0.000 1.213 1235 N CA 0.415 53.500 53.050 0.058 0.000 1.184 1235 N CB 0.207 38.716 38.487 0.037 0.000 1.454 1235 N HN 0.102 nan 8.380 nan 0.000 0.532 1236 A N 0.403 123.266 122.820 0.072 0.000 2.454 1236 A HA 0.478 4.798 4.320 0.001 0.000 0.302 1236 A C -0.105 177.505 177.584 0.044 0.000 1.079 1236 A CA -0.760 51.310 52.037 0.055 0.000 0.731 1236 A CB 1.466 20.502 19.000 0.059 0.000 1.299 1236 A HN 0.165 nan 8.150 nan 0.000 0.413 1237 D N -0.219 120.199 120.400 0.031 0.000 2.144 1237 D HA 0.118 4.759 4.640 0.001 0.000 0.207 1237 D C -0.052 176.259 176.300 0.018 0.000 0.970 1237 D CA 1.521 55.535 54.000 0.024 0.000 0.853 1237 D CB 0.122 40.934 40.800 0.019 0.000 1.007 1237 D HN 0.261 nan 8.370 nan 0.000 0.469 1238 L N 1.017 122.248 121.223 0.014 0.000 2.415 1238 L HA 0.386 4.727 4.340 0.001 0.000 0.268 1238 L C -1.317 175.553 176.870 0.000 0.000 0.984 1238 L CA -0.328 54.514 54.840 0.004 0.000 0.853 1238 L CB 1.172 43.229 42.059 -0.004 0.000 1.215 1238 L HN -0.122 nan 8.230 nan 0.000 0.419 1239 I N 5.395 125.951 120.570 -0.025 0.000 2.325 1239 I HA 0.347 4.518 4.170 0.001 0.000 0.291 1239 I C -0.439 175.656 176.117 -0.036 0.000 1.019 1239 I CA -0.757 60.517 61.300 -0.044 0.000 1.302 1239 I CB 1.456 39.377 38.000 -0.131 0.000 1.401 1239 I HN 0.205 nan 8.210 nan 0.000 0.485 1240 V N 7.607 127.525 119.914 0.007 0.000 2.347 1240 V HA 0.212 4.333 4.120 0.001 0.000 0.280 1240 V C 0.152 176.271 176.094 0.043 0.000 1.021 1240 V CA -0.669 61.655 62.300 0.041 0.000 0.847 1240 V CB 1.665 33.511 31.823 0.038 0.000 0.990 1240 V HN 0.402 nan 8.190 nan 0.000 0.444 1241 V N 7.173 127.115 119.914 0.047 0.000 2.339 1241 V HA 0.380 4.500 4.120 0.001 0.000 0.261 1241 V C 0.036 176.164 176.094 0.057 0.000 1.058 1241 V CA -0.092 62.248 62.300 0.067 0.000 0.897 1241 V CB 1.042 32.914 31.823 0.082 0.000 1.052 1241 V HN 0.746 nan 8.190 nan 0.000 0.480 1242 I N 4.405 125.003 120.570 0.046 0.000 2.354 1242 I HA 0.487 4.658 4.170 0.001 0.000 0.292 1242 I C -0.138 175.994 176.117 0.025 0.000 0.989 1242 I CA -0.732 60.585 61.300 0.029 0.000 1.188 1242 I CB 1.742 39.747 38.000 0.007 0.000 1.342 1242 I HN 0.599 nan 8.210 nan 0.000 0.457 1243 Q N 7.326 127.139 119.800 0.021 0.000 2.456 1243 Q HA 0.246 4.586 4.340 0.001 0.000 0.234 1243 Q C -0.656 175.346 176.000 0.004 0.000 1.061 1243 Q CA -0.204 55.609 55.803 0.016 0.000 0.896 1243 Q CB 0.144 28.892 28.738 0.017 0.000 1.233 1243 Q HN 0.599 nan 8.270 nan 0.000 0.506 1244 N N 3.796 122.495 118.700 -0.001 0.000 2.117 1244 N HA -0.281 4.460 4.740 0.001 0.000 0.364 1244 N C 0.748 176.250 175.510 -0.014 0.000 1.148 1244 N CA 1.769 54.813 53.050 -0.010 0.000 0.752 1244 N CB -0.187 38.294 38.487 -0.011 0.000 0.995 1244 N HN 0.993 nan 8.380 nan 0.000 0.561 1245 G N 1.564 110.352 108.800 -0.020 0.000 2.729 1245 G HA2 -0.327 3.634 3.960 0.001 0.000 0.216 1245 G HA3 -0.327 3.634 3.960 0.001 0.000 0.216 1245 G C -0.492 174.399 174.900 -0.015 0.000 1.252 1245 G CA 0.702 45.790 45.100 -0.020 0.000 0.751 1245 G HN 0.717 nan 8.290 nan 0.000 0.527 1246 K N 0.667 121.063 120.400 -0.006 0.000 2.316 1246 K HA 0.816 5.136 4.320 0.001 0.000 0.251 1246 K C -0.376 176.231 176.600 0.011 0.000 0.934 1246 K CA -0.799 55.490 56.287 0.003 0.000 0.802 1246 K CB 2.747 35.252 32.500 0.009 0.000 1.171 1246 K HN 0.911 nan 8.250 nan 0.000 0.426 1247 V N 2.526 122.453 119.914 0.023 0.000 2.583 1247 V HA 0.220 4.341 4.120 0.001 0.000 0.287 1247 V C 0.562 176.685 176.094 0.048 0.000 1.051 1247 V CA 0.049 62.374 62.300 0.042 0.000 1.010 1247 V CB 1.283 33.147 31.823 0.068 0.000 0.988 1247 V HN 0.886 nan 8.190 nan 0.000 0.478 1248 K N 4.535 124.958 120.400 0.038 0.000 2.262 1248 K HA 0.343 4.664 4.320 0.001 0.000 0.200 1248 K C 0.589 177.177 176.600 -0.020 0.000 1.058 1248 K CA 0.869 57.166 56.287 0.017 0.000 0.974 1248 K CB 0.307 32.817 32.500 0.017 0.000 0.910 1248 K HN 0.859 nan 8.250 nan 0.000 0.484 1249 E N -1.304 118.881 120.200 -0.026 0.000 2.423 1249 E HA 0.377 4.727 4.350 0.001 0.000 0.269 1249 E C -1.314 175.225 176.600 -0.100 0.000 0.948 1249 E CA -0.998 55.318 56.400 -0.140 0.000 0.802 1249 E CB 1.717 31.368 29.700 -0.082 0.000 1.339 1249 E HN 0.384 nan 8.360 nan 0.000 0.445 1250 H N -2.033 116.997 119.070 -0.066 0.000 2.901 1250 H HA 0.621 5.178 4.556 0.001 0.000 0.267 1250 H C -0.198 175.072 175.328 -0.097 0.000 1.434 1250 H CA -0.507 55.489 56.048 -0.087 0.000 1.215 1250 H CB 0.471 30.207 29.762 -0.043 0.000 1.825 1250 H HN 0.882 nan 8.280 nan 0.000 0.470 1251 G N -0.742 108.153 108.800 0.158 0.000 2.306 1251 G HA2 0.330 4.291 3.960 0.001 0.000 0.262 1251 G HA3 0.330 4.291 3.960 0.001 0.000 0.262 1251 G C -0.693 174.193 174.900 -0.023 0.000 1.263 1251 G CA -0.282 44.874 45.100 0.094 0.000 1.088 1251 G HN 1.116 nan 8.290 nan 0.000 0.489 1252 T N -0.740 113.805 114.554 -0.014 0.000 2.909 1252 T HA 0.422 4.772 4.350 0.001 0.000 0.289 1252 T C 1.552 176.238 174.700 -0.024 0.000 1.005 1252 T CA 0.742 62.838 62.100 -0.005 0.000 1.084 1252 T CB 0.617 69.505 68.868 0.032 0.000 0.975 1252 T HN 0.738 nan 8.240 nan 0.000 0.509 1253 H N 3.249 122.270 119.070 -0.080 0.000 2.394 1253 H HA -0.186 4.371 4.556 0.001 0.000 0.289 1253 H C 2.286 177.624 175.328 0.017 0.000 1.082 1253 H CA 3.045 59.064 56.048 -0.049 0.000 1.140 1253 H CB -0.224 29.574 29.762 0.060 0.000 1.390 1253 H HN 0.814 nan 8.280 nan 0.000 0.579 1254 Q N 0.997 120.973 119.800 0.293 0.000 2.197 1254 Q HA -0.209 4.132 4.340 0.001 0.000 0.207 1254 Q C 2.253 178.334 176.000 0.135 0.000 0.984 1254 Q CA 1.952 57.877 55.803 0.204 0.000 0.869 1254 Q CB -0.812 27.990 28.738 0.106 0.000 0.906 1254 Q HN 0.706 nan 8.270 nan 0.000 0.426 1255 Q N 0.536 120.381 119.800 0.076 0.000 2.020 1255 Q HA -0.081 4.260 4.340 0.001 0.000 0.202 1255 Q C 2.474 178.486 176.000 0.020 0.000 0.982 1255 Q CA 1.395 57.220 55.803 0.036 0.000 0.838 1255 Q CB -0.059 28.685 28.738 0.010 0.000 0.899 1255 Q HN 0.490 nan 8.270 nan 0.000 0.423 1256 L N 0.589 121.774 121.223 -0.064 0.000 2.079 1256 L HA -0.219 4.122 4.340 0.001 0.000 0.210 1256 L C 2.495 179.460 176.870 0.158 0.000 1.081 1256 L CA 0.589 55.362 54.840 -0.111 0.000 0.752 1256 L CB -0.458 41.212 42.059 -0.648 0.000 0.896 1256 L HN 0.361 nan 8.230 nan 0.000 0.433 1257 L N 0.052 121.430 121.223 0.258 0.000 2.201 1257 L HA -0.044 4.297 4.340 0.001 0.000 0.212 1257 L C 2.469 179.507 176.870 0.280 0.000 1.105 1257 L CA 1.685 56.735 54.840 0.350 0.000 0.775 1257 L CB -0.578 41.670 42.059 0.316 0.000 0.913 1257 L HN 0.104 nan 8.230 nan 0.000 0.440 1258 A N -1.233 121.689 122.820 0.170 0.000 2.119 1258 A HA -0.074 4.246 4.320 0.001 0.000 0.217 1258 A C 1.338 178.975 177.584 0.088 0.000 1.153 1258 A CA 0.562 52.668 52.037 0.114 0.000 0.692 1258 A CB -0.405 18.638 19.000 0.071 0.000 0.799 1258 A HN 0.527 nan 8.150 nan 0.000 0.458 1259 Q N 0.879 120.738 119.800 0.099 0.000 2.901 1259 Q HA 0.293 4.634 4.340 0.001 0.000 0.265 1259 Q C -0.999 175.059 176.000 0.096 0.000 1.263 1259 Q CA -0.096 55.741 55.803 0.058 0.000 1.088 1259 Q CB 0.385 29.135 28.738 0.021 0.000 1.339 1259 Q HN 0.241 nan 8.270 nan 0.000 0.546 1260 K N 0.805 121.220 120.400 0.026 0.000 2.430 1260 K HA 0.358 4.679 4.320 0.001 0.000 0.280 1260 K C 0.747 177.278 176.600 -0.116 0.000 1.063 1260 K CA 0.655 56.848 56.287 -0.158 0.000 1.071 1260 K CB 0.274 32.470 32.500 -0.506 0.000 0.899 1260 K HN 0.599 nan 8.250 nan 0.000 0.473 1261 G N 1.660 110.479 108.800 0.032 0.000 2.483 1261 G HA2 -0.066 3.894 3.960 0.001 0.000 0.090 1261 G HA3 -0.066 3.894 3.960 0.001 0.000 0.090 1261 G C 0.399 175.372 174.900 0.122 0.000 0.984 1261 G CA -0.465 44.658 45.100 0.040 0.000 1.325 1261 G HN 0.309 nan 8.290 nan 0.000 0.561 1262 I N 0.461 121.100 120.570 0.115 0.000 2.130 1262 I HA 0.042 4.213 4.170 0.001 0.000 0.234 1262 I C 2.430 178.639 176.117 0.153 0.000 1.067 1262 I CA 1.721 63.090 61.300 0.114 0.000 1.339 1262 I CB -1.348 36.708 38.000 0.093 0.000 1.073 1262 I HN 0.423 nan 8.210 nan 0.000 0.405 1263 Y N 1.204 121.534 120.300 0.049 0.000 2.151 1263 Y HA -0.338 4.213 4.550 0.001 0.000 0.284 1263 Y C 2.650 178.580 175.900 0.051 0.000 1.166 1263 Y CA 1.633 59.745 58.100 0.019 0.000 1.163 1263 Y CB -0.670 37.780 38.460 -0.017 0.000 0.974 1263 Y HN 0.090 nan 8.280 nan 0.000 0.511 1264 F N -0.180 119.786 119.950 0.027 0.000 2.046 1264 F HA -0.230 4.298 4.527 0.001 0.000 0.297 1264 F C 2.861 178.613 175.800 -0.081 0.000 1.123 1264 F CA 2.135 60.118 58.000 -0.029 0.000 1.199 1264 F CB -1.170 37.846 39.000 0.027 0.000 0.972 1264 F HN 0.036 nan 8.300 nan 0.000 0.474 1265 S N -0.249 115.631 115.700 0.301 0.000 2.440 1265 S HA -0.178 4.293 4.470 0.001 0.000 0.238 1265 S C 1.985 176.578 174.600 -0.012 0.000 1.010 1265 S CA 1.303 59.602 58.200 0.164 0.000 0.972 1265 S CB -0.322 62.957 63.200 0.132 0.000 0.774 1265 S HN 0.342 nan 8.310 nan 0.000 0.501 1266 M N 0.477 120.019 119.600 -0.097 0.000 2.160 1266 M HA 0.056 4.537 4.480 0.001 0.000 0.264 1266 M C 2.151 178.299 176.300 -0.253 0.000 1.073 1266 M CA 1.049 56.248 55.300 -0.168 0.000 1.142 1266 M CB -1.342 31.127 32.600 -0.218 0.000 1.358 1266 M HN 0.188 nan 8.290 nan 0.000 0.422 1267 V N 0.699 120.382 119.914 -0.385 0.000 2.667 1267 V HA -0.169 3.952 4.120 0.001 0.000 0.252 1267 V C 2.536 178.461 176.094 -0.281 0.000 1.065 1267 V CA 1.761 63.847 62.300 -0.356 0.000 1.083 1267 V CB -1.063 30.507 31.823 -0.422 0.000 0.692 1267 V HN 0.551 nan 8.190 nan 0.000 0.468 1268 S N -0.473 115.052 115.700 -0.292 0.000 2.395 1268 S HA -0.101 4.370 4.470 0.001 0.000 0.225 1268 S C 1.989 176.527 174.600 -0.104 0.000 1.027 1268 S CA 1.299 59.376 58.200 -0.204 0.000 0.965 1268 S CB -0.171 62.939 63.200 -0.150 0.000 0.812 1268 S HN 0.318 nan 8.310 nan 0.000 0.482 1269 V N 1.995 121.858 119.914 -0.085 0.000 2.515 1269 V HA -0.168 3.953 4.120 0.001 0.000 0.250 1269 V C 2.708 178.762 176.094 -0.067 0.000 1.058 1269 V CA 2.280 64.549 62.300 -0.051 0.000 1.064 1269 V CB -0.669 31.134 31.823 -0.033 0.000 0.675 1269 V HN 0.730 nan 8.190 nan 0.000 0.461 1270 Q N 0.738 120.476 119.800 -0.104 0.000 1.975 1270 Q HA -0.003 4.337 4.340 0.001 0.000 0.205 1270 Q C 1.164 177.114 176.000 -0.083 0.000 0.990 1270 Q CA 1.658 57.398 55.803 -0.106 0.000 0.845 1270 Q CB -0.325 28.330 28.738 -0.140 0.000 0.913 1270 Q HN 0.939 nan 8.270 nan 0.000 0.420 1271 A N 0.000 122.765 122.820 -0.091 0.000 2.254 1271 A HA 0.000 4.321 4.320 0.001 0.000 0.244 1271 A CA 0.000 51.995 52.037 -0.070 0.000 0.836 1271 A CB 0.000 18.969 19.000 -0.051 0.000 0.831 1271 A HN 0.000 nan 8.150 nan 0.000 0.486