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 3khk_1_B DATA FIRST_RESID 6 DATA SEQUENCE QQFLNDLDNQ LWRAADKLRS NLDAANYKHV VLGLIFLKYV SDAFEERQQE DATA SEQUENCE LTELFQKDDD DNIYYLPRED YDSDEAYQQA IAEELEIGDY YTEKNVFWVP DATA SEQUENCE KTARWNKLRD VIXXXXXXXX XXXXXXXXXX XXSVSWLIDN AFDDIEKANP DATA SEQUENCE KLKGILNRIS QYQLDADKLI GLINEFSLTS XXXXXXXXXX XXXXSKDILG DATA SEQUENCE HVYEYFLGQF ALAEGKQGGQ YYTPKSIVTL IVEMLEPYKG RVYDPAMGSG DATA SEQUENCE GFFVSSDKFI EKHANVKHYN ASEQKKQISV YGQESNPTTW KLAAMNMVIR DATA SEQUENCE GIDFNFGKKN ADSFLDDQHP DLRADFVMTN PPFNMKDWWH EKLADDPRWT DATA SEQUENCE INTXXXKRIL TPPTGNANFA WMLHMLYHLA PTGSMALLLA NGSMSSNTNN DATA SEQUENCE EGEIRKTLVE QDLVECMVAL PGQLFTNTQI PACIWFLTKD KNAKNGKRDR DATA SEQUENCE RGQVLFIDAR KLGYMKDRVL RDFKDEDIQK LADTFHNWQQ EWSEENNQAG DATA SEQUENCE FCFSADLALI RKNDFVLTPG RYVG 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 6 Q HA 0.000 nan 4.340 nan 0.000 0.214 6 Q C 0.000 175.959 176.000 -0.068 0.000 1.003 6 Q CA 0.000 55.776 55.803 -0.046 0.000 1.022 6 Q CB 0.000 28.708 28.738 -0.050 0.000 1.108 7 Q N 0.914 120.677 119.800 -0.062 0.000 2.626 7 Q HA 0.294 4.633 4.340 -0.001 0.000 0.300 7 Q C -0.727 175.286 176.000 0.022 0.000 0.988 7 Q CA -0.638 55.094 55.803 -0.118 0.000 0.761 7 Q CB -0.005 28.607 28.738 -0.209 0.000 1.494 7 Q HN 0.457 nan 8.270 nan 0.000 0.439 8 F N -0.023 119.920 119.950 -0.012 0.000 2.693 8 F HA 0.291 4.817 4.527 -0.001 0.000 0.303 8 F C 0.727 176.520 175.800 -0.012 0.000 1.143 8 F CA -0.642 57.350 58.000 -0.013 0.000 1.389 8 F CB 0.205 39.199 39.000 -0.010 0.000 1.060 8 F HN 0.221 nan 8.300 nan 0.000 0.535 9 L N 1.914 123.412 121.223 0.458 0.000 2.450 9 L HA -0.181 4.159 4.340 -0.001 0.000 0.224 9 L C 2.369 179.312 176.870 0.121 0.000 1.149 9 L CA 1.624 56.639 54.840 0.292 0.000 0.816 9 L CB -1.931 40.233 42.059 0.176 0.000 0.932 9 L HN 0.681 nan 8.230 nan 0.000 0.449 10 N N -0.423 118.327 118.700 0.084 0.000 2.251 10 N HA -0.160 4.579 4.740 -0.001 0.000 0.181 10 N C 1.575 177.050 175.510 -0.059 0.000 1.019 10 N CA 1.175 54.223 53.050 -0.003 0.000 0.862 10 N CB -0.187 38.310 38.487 0.017 0.000 0.992 10 N HN 0.350 nan 8.380 nan 0.000 0.429 11 D N 0.087 120.478 120.400 -0.016 0.000 2.077 11 D HA -0.103 4.536 4.640 -0.001 0.000 0.193 11 D C 2.101 178.301 176.300 -0.166 0.000 0.989 11 D CA 1.225 55.183 54.000 -0.071 0.000 0.831 11 D CB -0.397 40.384 40.800 -0.031 0.000 0.979 11 D HN 0.303 nan 8.370 nan 0.000 0.449 12 L N 1.588 122.647 121.223 -0.273 0.000 1.997 12 L HA -0.261 4.078 4.340 -0.001 0.000 0.216 12 L C 1.658 178.393 176.870 -0.225 0.000 1.074 12 L CA 2.009 56.676 54.840 -0.288 0.000 0.763 12 L CB -0.575 41.271 42.059 -0.354 0.000 0.890 12 L HN -0.078 nan 8.230 nan 0.000 0.434 13 D N -0.563 119.630 120.400 -0.346 0.000 2.156 13 D HA -0.230 4.409 4.640 -0.001 0.000 0.190 13 D C 2.001 178.020 176.300 -0.468 0.000 0.998 13 D CA 1.603 55.130 54.000 -0.788 0.000 0.842 13 D CB -0.555 39.377 40.800 -1.446 0.000 0.974 13 D HN 0.336 nan 8.370 nan 0.000 0.447 14 N N 0.372 118.899 118.700 -0.289 0.000 2.064 14 N HA -0.231 4.508 4.740 -0.001 0.000 0.200 14 N C 1.807 177.341 175.510 0.040 0.000 1.028 14 N CA 1.445 54.469 53.050 -0.043 0.000 0.880 14 N CB -0.306 38.155 38.487 -0.044 0.000 1.062 14 N HN 0.416 nan 8.380 nan 0.000 0.454 15 Q N 0.439 120.224 119.800 -0.025 0.000 2.045 15 Q HA -0.125 4.215 4.340 -0.001 0.000 0.206 15 Q C 2.452 178.469 176.000 0.028 0.000 0.991 15 Q CA 1.213 57.007 55.803 -0.015 0.000 0.851 15 Q CB -0.324 28.373 28.738 -0.068 0.000 0.911 15 Q HN 0.421 nan 8.270 nan 0.000 0.418 16 L N -0.263 120.992 121.223 0.052 0.000 2.131 16 L HA -0.188 4.151 4.340 -0.001 0.000 0.210 16 L C 2.328 179.453 176.870 0.425 0.000 1.092 16 L CA 0.976 55.916 54.840 0.167 0.000 0.759 16 L CB -0.600 41.629 42.059 0.283 0.000 0.903 16 L HN 0.497 nan 8.230 nan 0.000 0.435 17 W N 2.433 123.822 121.300 0.149 0.000 2.378 17 W HA -0.229 4.430 4.660 -0.001 0.000 0.313 17 W C 2.789 179.345 176.519 0.062 0.000 1.197 17 W CA 2.049 59.405 57.345 0.019 0.000 1.304 17 W CB -0.192 29.177 29.460 -0.151 0.000 1.148 17 W HN 0.213 nan 8.180 nan 0.000 0.494 18 R N 1.014 121.557 120.500 0.071 0.000 2.081 18 R HA -0.120 4.219 4.340 -0.001 0.000 0.235 18 R C 2.268 178.516 176.300 -0.088 0.000 1.131 18 R CA 2.097 58.174 56.100 -0.038 0.000 0.960 18 R CB -1.285 29.046 30.300 0.052 0.000 0.856 18 R HN 0.021 nan 8.270 nan 0.000 0.436 19 A N 1.762 124.560 122.820 -0.036 0.000 1.851 19 A HA -0.091 4.228 4.320 -0.001 0.000 0.216 19 A C 2.625 180.192 177.584 -0.028 0.000 1.195 19 A CA 1.976 53.992 52.037 -0.035 0.000 0.622 19 A CB -1.188 17.785 19.000 -0.046 0.000 0.831 19 A HN 0.591 nan 8.150 nan 0.000 0.444 20 A N -0.673 122.153 122.820 0.009 0.000 2.024 20 A HA -0.199 4.120 4.320 -0.001 0.000 0.220 20 A C 1.762 179.339 177.584 -0.012 0.000 1.164 20 A CA 2.246 54.343 52.037 0.099 0.000 0.643 20 A CB -0.709 18.421 19.000 0.216 0.000 0.806 20 A HN 0.598 nan 8.150 nan 0.000 0.451 21 D N -0.777 119.438 120.400 -0.307 0.000 2.183 21 D HA -0.071 4.569 4.640 -0.001 0.000 0.203 21 D C 1.866 178.029 176.300 -0.229 0.000 0.969 21 D CA 1.177 54.936 54.000 -0.403 0.000 0.842 21 D CB -0.070 40.414 40.800 -0.526 0.000 0.957 21 D HN 0.405 nan 8.370 nan 0.000 0.484 22 K N -0.648 119.668 120.400 -0.140 0.000 2.211 22 K HA 0.026 4.345 4.320 -0.001 0.000 0.203 22 K C 1.549 178.098 176.600 -0.084 0.000 1.050 22 K CA 0.680 56.913 56.287 -0.091 0.000 0.945 22 K CB 0.112 32.580 32.500 -0.054 0.000 0.732 22 K HN 0.231 nan 8.250 nan 0.000 0.451 23 L N 0.518 121.699 121.223 -0.069 0.000 2.607 23 L HA 0.120 4.460 4.340 -0.001 0.000 0.228 23 L C 1.930 178.712 176.870 -0.146 0.000 1.123 23 L CA -0.104 54.714 54.840 -0.036 0.000 0.890 23 L CB -0.102 42.000 42.059 0.073 0.000 1.103 23 L HN 0.107 nan 8.230 nan 0.000 0.468 24 R N 1.128 121.396 120.500 -0.386 0.000 2.117 24 R HA -0.077 4.263 4.340 -0.001 0.000 0.243 24 R C 1.333 177.388 176.300 -0.408 0.000 1.143 24 R CA 1.045 56.654 56.100 -0.818 0.000 0.968 24 R CB -0.728 29.006 30.300 -0.943 0.000 0.863 24 R HN 0.277 nan 8.270 nan 0.000 0.444 25 S N 1.421 116.989 115.700 -0.221 0.000 3.426 25 S HA -0.346 4.123 4.470 -0.001 0.000 0.630 25 S C 0.523 175.069 174.600 -0.090 0.000 2.670 25 S CA 0.993 59.125 58.200 -0.113 0.000 3.374 25 S CB -1.681 61.484 63.200 -0.059 0.000 0.296 25 S HN 0.662 nan 8.310 nan 0.000 1.445 26 N N 1.803 120.477 118.700 -0.042 0.000 2.715 26 N HA 0.446 5.186 4.740 -0.001 0.000 0.254 26 N C -0.503 175.004 175.510 -0.006 0.000 1.306 26 N CA 0.575 53.615 53.050 -0.017 0.000 0.956 26 N CB -1.102 37.387 38.487 0.003 0.000 1.296 26 N HN 0.602 nan 8.380 nan 0.000 0.512 27 L N -0.681 120.520 121.223 -0.036 0.000 2.424 27 L HA 0.467 4.806 4.340 -0.001 0.000 0.258 27 L C -0.681 176.178 176.870 -0.020 0.000 0.995 27 L CA -1.251 53.586 54.840 -0.006 0.000 0.821 27 L CB 2.036 44.107 42.059 0.020 0.000 1.383 27 L HN -0.004 nan 8.230 nan 0.000 0.410 28 D N 0.221 120.644 120.400 0.038 0.000 2.340 28 D HA 0.439 5.078 4.640 -0.001 0.000 0.251 28 D C 0.664 177.040 176.300 0.126 0.000 1.080 28 D CA -0.378 53.658 54.000 0.061 0.000 0.971 28 D CB 1.520 42.359 40.800 0.064 0.000 1.137 28 D HN 0.609 nan 8.370 nan 0.000 0.475 29 A N 0.633 123.560 122.820 0.177 0.000 2.121 29 A HA 0.072 4.391 4.320 -0.001 0.000 0.218 29 A C 1.885 179.605 177.584 0.228 0.000 1.154 29 A CA 1.496 53.745 52.037 0.355 0.000 0.679 29 A CB -0.735 18.488 19.000 0.371 0.000 0.795 29 A HN 0.549 nan 8.150 nan 0.000 0.458 30 A N 0.494 123.372 122.820 0.097 0.000 1.874 30 A HA -0.120 4.200 4.320 -0.001 0.000 0.214 30 A C 1.927 179.495 177.584 -0.028 0.000 1.189 30 A CA 1.387 53.441 52.037 0.027 0.000 0.615 30 A CB -0.608 18.422 19.000 0.049 0.000 0.830 30 A HN 0.678 nan 8.150 nan 0.000 0.443 31 N N -1.505 117.176 118.700 -0.032 0.000 2.047 31 N HA -0.192 4.547 4.740 -0.001 0.000 0.193 31 N C 1.739 176.937 175.510 -0.520 0.000 1.055 31 N CA 1.568 54.441 53.050 -0.295 0.000 0.847 31 N CB -0.429 37.982 38.487 -0.126 0.000 1.038 31 N HN 0.465 nan 8.380 nan 0.000 0.427 32 Y N 2.940 123.016 120.300 -0.373 0.000 2.332 32 Y HA -0.274 4.276 4.550 -0.001 0.000 0.283 32 Y C 2.256 177.821 175.900 -0.559 0.000 1.186 32 Y CA 1.500 59.428 58.100 -0.287 0.000 1.266 32 Y CB -0.241 38.230 38.460 0.017 0.000 0.973 32 Y HN 0.132 nan 8.280 nan 0.000 0.548 33 K N -1.560 118.201 120.400 -1.065 0.000 2.148 33 K HA -0.193 4.126 4.320 -0.001 0.000 0.204 33 K C 1.615 177.537 176.600 -1.129 0.000 1.050 33 K CA 1.898 57.041 56.287 -1.907 0.000 0.942 33 K CB -0.635 30.711 32.500 -1.922 0.000 0.724 33 K HN 0.384 nan 8.250 nan 0.000 0.446 34 H N 0.487 119.177 119.070 -0.634 0.000 2.428 34 H HA -0.006 4.549 4.556 -0.001 0.000 0.296 34 H C 2.283 177.461 175.328 -0.250 0.000 1.062 34 H CA 1.495 57.326 56.048 -0.362 0.000 1.350 34 H CB 0.150 29.809 29.762 -0.173 0.000 1.403 34 H HN 0.099 nan 8.280 nan 0.000 0.533 35 V N 0.695 120.471 119.914 -0.231 0.000 2.244 35 V HA -0.198 3.921 4.120 -0.001 0.000 0.244 35 V C 2.822 178.801 176.094 -0.192 0.000 1.042 35 V CA 1.362 63.592 62.300 -0.116 0.000 1.006 35 V CB -0.957 30.797 31.823 -0.115 0.000 0.641 35 V HN 0.137 nan 8.190 nan 0.000 0.446 36 V N 0.535 120.207 119.914 -0.402 0.000 2.252 36 V HA -0.298 3.822 4.120 -0.001 0.000 0.249 36 V C 2.407 178.284 176.094 -0.361 0.000 1.056 36 V CA 2.330 64.395 62.300 -0.392 0.000 1.022 36 V CB -0.888 30.683 31.823 -0.421 0.000 0.641 36 V HN 0.452 nan 8.190 nan 0.000 0.445 37 L N 0.616 121.619 121.223 -0.366 0.000 2.191 37 L HA -0.043 4.296 4.340 -0.001 0.000 0.212 37 L C 2.568 179.439 176.870 0.002 0.000 1.103 37 L CA 1.418 56.095 54.840 -0.273 0.000 0.769 37 L CB -1.084 40.715 42.059 -0.433 0.000 0.908 37 L HN 0.474 nan 8.230 nan 0.000 0.438 38 G N 0.275 109.079 108.800 0.007 0.000 2.404 38 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.214 38 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.214 38 G C 1.583 176.706 174.900 0.372 0.000 1.189 38 G CA 0.255 45.468 45.100 0.189 0.000 0.789 38 G HN 0.217 nan 8.290 nan 0.000 0.533 39 L N 0.357 121.693 121.223 0.188 0.000 2.191 39 L HA 0.001 4.341 4.340 -0.001 0.000 0.212 39 L C 2.754 179.608 176.870 -0.026 0.000 1.103 39 L CA 0.546 55.489 54.840 0.172 0.000 0.769 39 L CB -0.349 41.746 42.059 0.062 0.000 0.908 39 L HN 0.233 nan 8.230 nan 0.000 0.438 40 I N -1.184 119.262 120.570 -0.208 0.000 2.333 40 I HA -0.266 3.903 4.170 -0.001 0.000 0.246 40 I C 2.484 178.642 176.117 0.068 0.000 1.106 40 I CA 1.082 62.237 61.300 -0.242 0.000 1.411 40 I CB -0.330 37.560 38.000 -0.183 0.000 1.082 40 I HN 0.134 nan 8.210 nan 0.000 0.420 41 F N 1.994 121.998 119.950 0.089 0.000 2.095 41 F HA -0.267 4.259 4.527 -0.001 0.000 0.298 41 F C 2.263 178.171 175.800 0.181 0.000 1.104 41 F CA 1.743 59.804 58.000 0.102 0.000 1.232 41 F CB -0.247 38.784 39.000 0.051 0.000 0.987 41 F HN -0.050 nan 8.300 nan 0.000 0.475 42 L N 1.070 122.523 121.223 0.383 0.000 2.017 42 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 42 L C 2.477 179.460 176.870 0.189 0.000 1.073 42 L CA 2.388 57.441 54.840 0.355 0.000 0.745 42 L CB -1.015 41.379 42.059 0.557 0.000 0.894 42 L HN 0.248 nan 8.230 nan 0.000 0.432 43 K N -1.208 119.236 120.400 0.075 0.000 2.020 43 K HA -0.336 3.983 4.320 -0.001 0.000 0.212 43 K C 2.263 178.741 176.600 -0.202 0.000 1.050 43 K CA 2.370 58.452 56.287 -0.342 0.000 0.929 43 K CB -0.841 31.124 32.500 -0.891 0.000 0.714 43 K HN 0.474 nan 8.250 nan 0.000 0.443 44 Y N 0.347 120.511 120.300 -0.227 0.000 2.114 44 Y HA -0.264 4.285 4.550 -0.001 0.000 0.282 44 Y C 2.043 177.836 175.900 -0.178 0.000 1.165 44 Y CA 1.966 59.952 58.100 -0.190 0.000 1.148 44 Y CB -0.462 37.877 38.460 -0.201 0.000 0.972 44 Y HN -0.001 nan 8.280 nan 0.000 0.504 45 V N -0.885 118.948 119.914 -0.134 0.000 2.548 45 V HA -0.194 3.925 4.120 -0.001 0.000 0.249 45 V C 2.196 178.230 176.094 -0.100 0.000 1.055 45 V CA 2.178 64.396 62.300 -0.137 0.000 1.065 45 V CB -0.339 31.312 31.823 -0.286 0.000 0.681 45 V HN 0.526 nan 8.190 nan 0.000 0.462 46 S N -0.390 115.276 115.700 -0.056 0.000 2.414 46 S HA -0.126 4.344 4.470 -0.001 0.000 0.227 46 S C 1.547 176.145 174.600 -0.004 0.000 1.022 46 S CA 1.124 59.347 58.200 0.038 0.000 0.958 46 S CB -0.239 63.053 63.200 0.154 0.000 0.797 46 S HN 0.632 nan 8.310 nan 0.000 0.493 47 D N 1.849 122.169 120.400 -0.134 0.000 2.178 47 D HA 0.016 4.655 4.640 -0.001 0.000 0.201 47 D C 1.933 178.113 176.300 -0.200 0.000 0.980 47 D CA 1.147 55.035 54.000 -0.185 0.000 0.842 47 D CB -0.163 40.478 40.800 -0.264 0.000 0.948 47 D HN 0.398 nan 8.370 nan 0.000 0.472 48 A N -0.686 121.973 122.820 -0.268 0.000 2.021 48 A HA -0.005 4.314 4.320 -0.001 0.000 0.216 48 A C 1.853 179.447 177.584 0.015 0.000 1.163 48 A CA 0.284 52.202 52.037 -0.198 0.000 0.676 48 A CB -0.607 18.209 19.000 -0.307 0.000 0.818 48 A HN 0.266 nan 8.150 nan 0.000 0.453 49 F N 0.897 120.785 119.950 -0.103 0.000 2.259 49 F HA 0.002 4.528 4.527 -0.001 0.000 0.298 49 F C 2.000 177.776 175.800 -0.040 0.000 1.088 49 F CA 1.604 59.564 58.000 -0.066 0.000 1.358 49 F CB -0.121 38.759 39.000 -0.199 0.000 1.040 49 F HN 0.409 nan 8.300 nan 0.000 0.505 50 E N 0.300 120.437 120.200 -0.105 0.000 2.007 50 E HA -0.277 4.072 4.350 -0.001 0.000 0.194 50 E C 2.275 178.777 176.600 -0.164 0.000 0.999 50 E CA 1.496 57.800 56.400 -0.160 0.000 0.811 50 E CB -0.461 29.197 29.700 -0.071 0.000 0.762 50 E HN 0.520 nan 8.360 nan 0.000 0.450 51 E N 0.171 120.297 120.200 -0.123 0.000 2.068 51 E HA -0.317 4.032 4.350 -0.001 0.000 0.207 51 E C 2.277 178.787 176.600 -0.149 0.000 1.032 51 E CA 1.707 58.034 56.400 -0.121 0.000 0.839 51 E CB -0.134 29.503 29.700 -0.104 0.000 0.758 51 E HN -0.016 nan 8.360 nan 0.000 0.457 52 R N 0.819 121.240 120.500 -0.131 0.000 2.091 52 R HA -0.140 4.199 4.340 -0.001 0.000 0.238 52 R C 2.298 178.438 176.300 -0.266 0.000 1.136 52 R CA 1.892 57.892 56.100 -0.167 0.000 0.959 52 R CB -0.484 29.790 30.300 -0.043 0.000 0.856 52 R HN 0.297 nan 8.270 nan 0.000 0.437 53 Q N 0.095 119.736 119.800 -0.266 0.000 2.096 53 Q HA -0.236 4.103 4.340 -0.001 0.000 0.204 53 Q C 2.040 177.874 176.000 -0.277 0.000 0.982 53 Q CA 2.011 57.639 55.803 -0.292 0.000 0.850 53 Q CB -0.139 28.382 28.738 -0.363 0.000 0.901 53 Q HN 0.677 nan 8.270 nan 0.000 0.422 54 Q N 0.671 120.330 119.800 -0.234 0.000 2.119 54 Q HA -0.207 4.132 4.340 -0.001 0.000 0.201 54 Q C 1.685 177.539 176.000 -0.243 0.000 0.972 54 Q CA 1.748 57.431 55.803 -0.199 0.000 0.847 54 Q CB -0.207 28.443 28.738 -0.146 0.000 0.903 54 Q HN 0.550 nan 8.270 nan 0.000 0.433 55 E N 1.225 121.255 120.200 -0.283 0.000 2.112 55 E HA -0.099 4.250 4.350 -0.001 0.000 0.190 55 E C 2.263 178.566 176.600 -0.495 0.000 0.979 55 E CA 0.526 56.733 56.400 -0.321 0.000 0.814 55 E CB -0.489 29.044 29.700 -0.278 0.000 0.762 55 E HN 0.342 nan 8.360 nan 0.000 0.460 56 L N 1.391 122.229 121.223 -0.642 0.000 1.997 56 L HA -0.229 4.110 4.340 -0.001 0.000 0.216 56 L C 2.674 178.728 176.870 -1.360 0.000 1.074 56 L CA 2.129 56.289 54.840 -1.133 0.000 0.763 56 L CB -1.093 40.385 42.059 -0.968 0.000 0.890 56 L HN 0.304 nan 8.230 nan 0.000 0.434 57 T N -1.289 112.850 114.554 -0.691 0.000 2.684 57 T HA -0.189 4.160 4.350 -0.001 0.000 0.267 57 T C 1.811 176.356 174.700 -0.259 0.000 1.036 57 T CA 1.263 63.155 62.100 -0.347 0.000 1.148 57 T CB -0.210 68.564 68.868 -0.158 0.000 0.863 57 T HN 0.286 nan 8.240 nan 0.000 0.436 58 E N 0.899 120.943 120.200 -0.260 0.000 2.077 58 E HA -0.012 4.338 4.350 -0.001 0.000 0.193 58 E C 2.328 178.833 176.600 -0.159 0.000 0.989 58 E CA 0.710 57.013 56.400 -0.162 0.000 0.800 58 E CB -0.380 29.229 29.700 -0.151 0.000 0.746 58 E HN 0.466 nan 8.360 nan 0.000 0.452 59 L N -0.064 120.967 121.223 -0.320 0.000 2.046 59 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 59 L C 2.297 179.179 176.870 0.019 0.000 1.077 59 L CA 0.833 55.523 54.840 -0.251 0.000 0.747 59 L CB -0.383 41.364 42.059 -0.521 0.000 0.896 59 L HN 0.073 nan 8.230 nan 0.000 0.432 60 F N -0.021 119.931 119.950 0.003 0.000 2.408 60 F HA -0.172 4.355 4.527 -0.001 0.000 0.300 60 F C 2.315 178.252 175.800 0.228 0.000 1.090 60 F CA 0.881 58.917 58.000 0.060 0.000 1.427 60 F CB -0.682 38.259 39.000 -0.098 0.000 1.070 60 F HN 0.232 nan 8.300 nan 0.000 0.549 61 Q N -0.728 119.312 119.800 0.400 0.000 2.280 61 Q HA 0.065 4.405 4.340 -0.001 0.000 0.228 61 Q C 0.623 176.858 176.000 0.391 0.000 0.857 61 Q CA -0.093 55.988 55.803 0.463 0.000 0.939 61 Q CB 0.533 29.436 28.738 0.275 0.000 1.114 61 Q HN 0.169 nan 8.270 nan 0.000 0.514 62 K N 2.701 123.234 120.400 0.221 0.000 2.278 62 K HA -0.017 4.302 4.320 -0.001 0.000 0.289 62 K C -0.509 175.894 176.600 -0.329 0.000 1.080 62 K CA -0.072 56.212 56.287 -0.005 0.000 0.934 62 K CB 0.288 32.784 32.500 -0.007 0.000 1.093 62 K HN -0.111 nan 8.250 nan 0.000 0.459 63 D N 3.748 123.800 120.400 -0.581 0.000 2.662 63 D HA -0.023 4.616 4.640 -0.001 0.000 0.228 63 D C -1.038 174.936 176.300 -0.543 0.000 1.093 63 D CA 0.144 53.477 54.000 -1.113 0.000 1.075 63 D CB -0.183 40.279 40.800 -0.563 0.000 1.122 63 D HN 0.331 nan 8.370 nan 0.000 0.475 64 D N 0.974 121.124 120.400 -0.417 0.000 2.440 64 D HA 0.119 4.758 4.640 -0.001 0.000 0.239 64 D C 0.380 176.625 176.300 -0.091 0.000 1.084 64 D CA -0.610 53.288 54.000 -0.169 0.000 0.843 64 D CB 1.286 42.034 40.800 -0.086 0.000 1.097 64 D HN -0.006 nan 8.370 nan 0.000 0.531 65 D N 1.363 121.730 120.400 -0.056 0.000 2.417 65 D HA -0.107 4.532 4.640 -0.001 0.000 0.225 65 D C 0.264 176.578 176.300 0.024 0.000 0.983 65 D CA 1.044 55.045 54.000 0.002 0.000 0.949 65 D CB 0.335 41.137 40.800 0.003 0.000 0.879 65 D HN 0.447 nan 8.370 nan 0.000 0.520 66 D N -1.197 119.215 120.400 0.021 0.000 2.520 66 D HA -0.023 4.616 4.640 -0.001 0.000 0.223 66 D C 0.033 176.370 176.300 0.062 0.000 1.186 66 D CA -0.249 53.773 54.000 0.036 0.000 0.821 66 D CB 0.054 40.868 40.800 0.024 0.000 1.072 66 D HN 0.035 nan 8.370 nan 0.000 0.518 67 N N 2.421 121.168 118.700 0.078 0.000 2.448 67 N HA -0.012 4.727 4.740 -0.001 0.000 0.250 67 N C 1.263 176.891 175.510 0.196 0.000 1.136 67 N CA -0.126 53.017 53.050 0.155 0.000 0.953 67 N CB 0.199 38.771 38.487 0.142 0.000 1.251 67 N HN -0.124 nan 8.380 nan 0.000 0.502 68 I N 2.449 123.093 120.570 0.124 0.000 2.623 68 I HA -0.272 3.897 4.170 -0.001 0.000 0.261 68 I C 0.509 176.593 176.117 -0.056 0.000 1.204 68 I CA 1.201 62.479 61.300 -0.037 0.000 1.444 68 I CB -1.305 36.556 38.000 -0.232 0.000 1.094 68 I HN 0.596 nan 8.210 nan 0.000 0.451 69 Y N -1.628 118.793 120.300 0.201 0.000 2.458 69 Y HA 0.108 4.657 4.550 -0.001 0.000 0.256 69 Y C 0.810 176.912 175.900 0.336 0.000 1.159 69 Y CA -0.748 57.510 58.100 0.262 0.000 1.261 69 Y CB -0.278 38.301 38.460 0.197 0.000 1.119 69 Y HN -0.052 nan 8.280 nan 0.000 0.524 70 Y N 2.155 122.614 120.300 0.266 0.000 2.544 70 Y HA 0.230 4.779 4.550 -0.001 0.000 0.330 70 Y C -0.361 175.664 175.900 0.208 0.000 1.136 70 Y CA -0.971 57.267 58.100 0.230 0.000 1.417 70 Y CB 0.130 38.689 38.460 0.165 0.000 1.229 70 Y HN -0.029 nan 8.280 nan 0.000 0.532 71 L N 9.989 131.020 121.223 -0.320 0.000 2.255 71 L HA 0.354 4.693 4.340 -0.001 0.000 0.289 71 L C -2.279 174.133 176.870 -0.762 0.000 1.046 71 L CA -2.065 52.584 54.840 -0.317 0.000 0.816 71 L CB 0.894 42.863 42.059 -0.149 0.000 1.197 71 L HN 0.555 nan 8.230 nan 0.000 0.427 72 P HA 0.123 nan 4.420 nan 0.000 0.276 72 P C 0.219 177.482 177.300 -0.062 0.000 1.264 72 P CA -0.464 62.401 63.100 -0.391 0.000 0.769 72 P CB 0.852 32.537 31.700 -0.026 0.000 0.840 73 R N 5.041 125.403 120.500 -0.230 0.000 2.083 73 R HA -0.188 4.151 4.340 -0.001 0.000 0.237 73 R C 1.630 177.827 176.300 -0.172 0.000 1.137 73 R CA 2.233 57.984 56.100 -0.580 0.000 0.951 73 R CB -0.660 29.210 30.300 -0.717 0.000 0.851 73 R HN 0.601 nan 8.270 nan 0.000 0.434 74 E N -0.124 120.030 120.200 -0.076 0.000 2.301 74 E HA -0.212 4.137 4.350 -0.001 0.000 0.202 74 E C 0.374 176.944 176.600 -0.050 0.000 1.017 74 E CA 1.772 58.149 56.400 -0.038 0.000 0.831 74 E CB -0.231 29.466 29.700 -0.004 0.000 0.742 74 E HN 0.301 nan 8.360 nan 0.000 0.491 75 D N -0.632 119.726 120.400 -0.070 0.000 2.339 75 D HA 0.059 4.698 4.640 -0.001 0.000 0.217 75 D C -0.689 175.334 176.300 -0.461 0.000 1.050 75 D CA 0.330 54.183 54.000 -0.245 0.000 0.856 75 D CB 0.083 40.697 40.800 -0.309 0.000 0.922 75 D HN 0.291 nan 8.370 nan 0.000 0.518 76 Y N 0.530 120.807 120.300 -0.038 0.000 2.328 76 Y HA 0.119 4.668 4.550 -0.001 0.000 0.333 76 Y C 1.222 177.117 175.900 -0.010 0.000 0.958 76 Y CA -1.261 56.844 58.100 0.009 0.000 1.167 76 Y CB 1.683 40.206 38.460 0.105 0.000 1.151 76 Y HN -0.278 nan 8.280 nan 0.000 0.470 77 D N 2.024 122.480 120.400 0.093 0.000 2.339 77 D HA -0.255 4.385 4.640 -0.001 0.000 0.189 77 D C 0.442 176.784 176.300 0.070 0.000 1.022 77 D CA 2.407 56.444 54.000 0.062 0.000 0.884 77 D CB 0.247 41.080 40.800 0.055 0.000 0.916 77 D HN 0.455 nan 8.370 nan 0.000 0.453 78 S N -2.852 112.913 115.700 0.108 0.000 2.607 78 S HA 0.421 4.890 4.470 -0.001 0.000 0.273 78 S C 0.079 174.747 174.600 0.114 0.000 1.148 78 S CA -0.437 57.814 58.200 0.086 0.000 0.833 78 S CB 1.572 64.815 63.200 0.072 0.000 1.130 78 S HN -0.066 nan 8.310 nan 0.000 0.470 79 D N 1.322 121.776 120.400 0.090 0.000 2.092 79 D HA -0.121 4.519 4.640 -0.001 0.000 0.193 79 D C 1.717 178.084 176.300 0.111 0.000 0.994 79 D CA 2.032 56.101 54.000 0.115 0.000 0.828 79 D CB -0.365 40.484 40.800 0.081 0.000 0.963 79 D HN 0.838 nan 8.370 nan 0.000 0.450 80 E N 0.563 120.809 120.200 0.076 0.000 2.048 80 E HA -0.284 4.065 4.350 -0.001 0.000 0.202 80 E C 2.000 178.634 176.600 0.057 0.000 1.021 80 E CA 1.672 58.105 56.400 0.055 0.000 0.825 80 E CB -0.176 29.552 29.700 0.047 0.000 0.756 80 E HN 0.187 nan 8.360 nan 0.000 0.454 81 A N 0.090 122.964 122.820 0.091 0.000 1.892 81 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 81 A C 2.167 179.785 177.584 0.057 0.000 1.188 81 A CA 1.765 53.870 52.037 0.115 0.000 0.631 81 A CB -1.147 17.967 19.000 0.190 0.000 0.822 81 A HN 0.638 nan 8.150 nan 0.000 0.447 82 Y N 0.398 120.630 120.300 -0.115 0.000 2.224 82 Y HA -0.164 4.386 4.550 -0.001 0.000 0.289 82 Y C 2.320 178.058 175.900 -0.270 0.000 1.146 82 Y CA 2.059 59.944 58.100 -0.359 0.000 1.182 82 Y CB -0.087 38.252 38.460 -0.202 0.000 0.983 82 Y HN 0.366 nan 8.280 nan 0.000 0.524 83 Q N -0.305 119.412 119.800 -0.138 0.000 2.403 83 Q HA -0.106 4.233 4.340 -0.001 0.000 0.203 83 Q C 1.769 177.694 176.000 -0.126 0.000 0.932 83 Q CA 0.592 56.294 55.803 -0.168 0.000 0.945 83 Q CB 0.172 28.876 28.738 -0.056 0.000 1.045 83 Q HN 0.656 nan 8.270 nan 0.000 0.511 84 Q N -0.226 119.512 119.800 -0.103 0.000 2.354 84 Q HA 0.051 4.391 4.340 -0.001 0.000 0.203 84 Q C 1.652 177.574 176.000 -0.130 0.000 0.933 84 Q CA 0.660 56.420 55.803 -0.072 0.000 0.901 84 Q CB 0.271 29.000 28.738 -0.015 0.000 1.007 84 Q HN 0.309 nan 8.270 nan 0.000 0.495 85 A N 0.666 123.330 122.820 -0.261 0.000 1.898 85 A HA -0.057 4.263 4.320 -0.001 0.000 0.214 85 A C 1.879 179.207 177.584 -0.427 0.000 1.183 85 A CA 0.702 52.514 52.037 -0.375 0.000 0.622 85 A CB -0.385 18.158 19.000 -0.761 0.000 0.824 85 A HN 0.409 nan 8.150 nan 0.000 0.444 86 I N -0.215 120.058 120.570 -0.495 0.000 2.394 86 I HA -0.225 3.944 4.170 -0.001 0.000 0.251 86 I C 2.915 178.934 176.117 -0.163 0.000 1.136 86 I CA 0.867 61.938 61.300 -0.382 0.000 1.425 86 I CB -0.281 37.530 38.000 -0.315 0.000 1.079 86 I HN 0.370 nan 8.210 nan 0.000 0.425 87 A N 0.602 123.353 122.820 -0.115 0.000 1.902 87 A HA -0.229 4.091 4.320 -0.001 0.000 0.217 87 A C 2.174 179.770 177.584 0.020 0.000 1.181 87 A CA 1.670 53.700 52.037 -0.012 0.000 0.623 87 A CB -0.530 18.468 19.000 -0.005 0.000 0.818 87 A HN 0.409 nan 8.150 nan 0.000 0.443 88 E N -0.557 119.621 120.200 -0.037 0.000 2.204 88 E HA -0.130 4.219 4.350 -0.001 0.000 0.194 88 E C 1.915 178.524 176.600 0.014 0.000 0.989 88 E CA 0.878 57.277 56.400 -0.002 0.000 0.824 88 E CB 0.015 29.702 29.700 -0.021 0.000 0.756 88 E HN 0.550 nan 8.360 nan 0.000 0.477 89 E N 0.624 120.764 120.200 -0.100 0.000 2.072 89 E HA -0.103 4.247 4.350 -0.001 0.000 0.190 89 E C 2.199 178.941 176.600 0.236 0.000 0.982 89 E CA 0.458 56.809 56.400 -0.082 0.000 0.803 89 E CB -0.181 29.021 29.700 -0.830 0.000 0.755 89 E HN 0.316 nan 8.360 nan 0.000 0.453 90 L N 1.133 122.511 121.223 0.259 0.000 2.357 90 L HA -0.192 4.147 4.340 -0.001 0.000 0.220 90 L C 2.037 179.274 176.870 0.613 0.000 1.123 90 L CA 1.079 56.180 54.840 0.435 0.000 0.782 90 L CB -0.245 41.996 42.059 0.303 0.000 0.910 90 L HN 0.111 nan 8.230 nan 0.000 0.442 91 E N -0.196 120.292 120.200 0.480 0.000 2.479 91 E HA 0.120 4.469 4.350 -0.001 0.000 0.193 91 E C 0.464 177.256 176.600 0.319 0.000 1.049 91 E CA -0.126 56.544 56.400 0.451 0.000 0.870 91 E CB 0.364 30.208 29.700 0.240 0.000 0.944 91 E HN 0.457 nan 8.360 nan 0.000 0.492 92 I N 1.236 122.087 120.570 0.469 0.000 2.347 92 I HA 0.032 4.201 4.170 -0.001 0.000 0.294 92 I C 1.676 178.023 176.117 0.382 0.000 1.090 92 I CA -0.268 61.198 61.300 0.277 0.000 1.314 92 I CB 1.254 39.322 38.000 0.113 0.000 1.423 92 I HN 0.030 nan 8.210 nan 0.000 0.503 93 G N 4.500 113.413 108.800 0.189 0.000 2.507 93 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.221 93 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.221 93 G C 1.044 176.122 174.900 0.297 0.000 1.119 93 G CA 0.735 46.001 45.100 0.277 0.000 0.751 93 G HN 0.605 nan 8.290 nan 0.000 0.574 94 D N 0.149 120.578 120.400 0.048 0.000 2.133 94 D HA -0.155 4.484 4.640 -0.001 0.000 0.195 94 D C 2.003 178.324 176.300 0.034 0.000 0.997 94 D CA 0.951 54.923 54.000 -0.046 0.000 0.840 94 D CB -0.493 40.170 40.800 -0.229 0.000 0.947 94 D HN 0.440 nan 8.370 nan 0.000 0.452 95 Y N -0.427 119.964 120.300 0.151 0.000 2.315 95 Y HA -0.177 4.373 4.550 -0.001 0.000 0.288 95 Y C 1.909 177.682 175.900 -0.211 0.000 1.154 95 Y CA 0.594 58.680 58.100 -0.023 0.000 1.229 95 Y CB -0.799 37.589 38.460 -0.121 0.000 0.980 95 Y HN 0.176 nan 8.280 nan 0.000 0.540 96 Y N -1.082 119.395 120.300 0.294 0.000 2.186 96 Y HA -0.124 4.425 4.550 -0.001 0.000 0.286 96 Y C 2.542 178.496 175.900 0.088 0.000 1.109 96 Y CA 1.213 59.436 58.100 0.206 0.000 1.099 96 Y CB -1.156 37.493 38.460 0.315 0.000 1.030 96 Y HN -0.120 nan 8.280 nan 0.000 0.495 97 T N 0.960 115.651 114.554 0.229 0.000 2.656 97 T HA -0.371 3.979 4.350 -0.001 0.000 0.262 97 T C 1.452 176.169 174.700 0.028 0.000 1.070 97 T CA 2.257 64.394 62.100 0.062 0.000 1.160 97 T CB -0.872 68.027 68.868 0.052 0.000 0.855 97 T HN 0.669 nan 8.240 nan 0.000 0.456 98 E N 0.862 121.097 120.200 0.059 0.000 2.463 98 E HA -0.107 4.242 4.350 -0.001 0.000 0.201 98 E C 1.346 177.970 176.600 0.039 0.000 1.045 98 E CA 0.748 57.179 56.400 0.051 0.000 0.872 98 E CB -0.024 29.729 29.700 0.088 0.000 0.797 98 E HN 0.288 nan 8.360 nan 0.000 0.538 99 K N 0.365 120.783 120.400 0.031 0.000 2.619 99 K HA 0.126 4.445 4.320 -0.001 0.000 0.201 99 K C -0.302 176.302 176.600 0.007 0.000 1.090 99 K CA -0.239 56.059 56.287 0.019 0.000 1.063 99 K CB 0.605 33.110 32.500 0.008 0.000 0.810 99 K HN -0.005 nan 8.250 nan 0.000 0.506 100 N N 0.091 118.767 118.700 -0.039 0.000 2.809 100 N HA -0.169 4.570 4.740 -0.001 0.000 0.244 100 N C -0.281 175.097 175.510 -0.221 0.000 1.018 100 N CA 0.798 53.767 53.050 -0.135 0.000 0.917 100 N CB -1.178 37.280 38.487 -0.048 0.000 1.130 100 N HN -0.004 nan 8.380 nan 0.000 0.591 101 V N 1.272 121.159 119.914 -0.046 0.000 2.614 101 V HA 0.206 4.326 4.120 -0.001 0.000 0.291 101 V C 0.720 176.837 176.094 0.037 0.000 1.049 101 V CA -0.117 62.235 62.300 0.087 0.000 1.038 101 V CB 0.206 32.178 31.823 0.249 0.000 0.980 101 V HN 0.038 nan 8.190 nan 0.000 0.481 102 F N 3.421 123.501 119.950 0.217 0.000 2.384 102 F HA 0.281 4.807 4.527 -0.001 0.000 0.338 102 F C 0.408 176.262 175.800 0.089 0.000 1.103 102 F CA -0.330 57.772 58.000 0.170 0.000 1.157 102 F CB 0.680 39.759 39.000 0.131 0.000 1.167 102 F HN 0.563 nan 8.300 nan 0.000 0.529 103 W N 4.655 125.984 121.300 0.048 0.000 2.210 103 W HA 0.427 5.086 4.660 -0.001 0.000 0.330 103 W C -1.531 174.711 176.519 -0.461 0.000 1.334 103 W CA -0.385 56.777 57.345 -0.305 0.000 1.227 103 W CB 0.925 30.249 29.460 -0.226 0.000 1.178 103 W HN 0.114 nan 8.180 nan 0.000 0.560 104 V N 8.933 127.720 119.914 -1.878 0.000 2.380 104 V HA 0.157 4.276 4.120 -0.001 0.000 0.286 104 V C -1.854 173.444 176.094 -1.328 0.000 1.015 104 V CA -1.831 59.691 62.300 -1.295 0.000 0.834 104 V CB 1.575 32.810 31.823 -0.981 0.000 1.009 104 V HN 0.420 nan 8.190 nan 0.000 0.428 105 P HA 0.086 nan 4.420 nan 0.000 0.270 105 P C 0.904 178.099 177.300 -0.175 0.000 1.221 105 P CA 0.013 63.003 63.100 -0.184 0.000 0.788 105 P CB 0.664 32.386 31.700 0.036 0.000 0.904 106 K N -0.058 120.321 120.400 -0.033 0.000 2.211 106 K HA -0.100 4.219 4.320 -0.001 0.000 0.204 106 K C 0.949 177.531 176.600 -0.030 0.000 1.047 106 K CA 1.805 58.090 56.287 -0.004 0.000 0.935 106 K CB -0.783 31.746 32.500 0.049 0.000 0.728 106 K HN 0.613 nan 8.250 nan 0.000 0.452 107 T N -2.214 112.313 114.554 -0.045 0.000 3.260 107 T HA 0.514 4.863 4.350 -0.001 0.000 0.254 107 T C 0.517 175.144 174.700 -0.121 0.000 0.951 107 T CA -0.126 61.927 62.100 -0.079 0.000 0.918 107 T CB 0.797 69.622 68.868 -0.072 0.000 1.098 107 T HN 0.106 nan 8.240 nan 0.000 0.563 108 A N 0.871 123.621 122.820 -0.116 0.000 2.699 108 A HA 0.409 4.728 4.320 -0.001 0.000 0.242 108 A C 0.397 177.936 177.584 -0.075 0.000 1.142 108 A CA -0.662 51.305 52.037 -0.117 0.000 1.008 108 A CB 0.432 19.369 19.000 -0.105 0.000 1.232 108 A HN 0.388 nan 8.150 nan 0.000 0.574 109 R N 0.113 120.579 120.500 -0.057 0.000 2.265 109 R HA 0.146 4.486 4.340 -0.001 0.000 0.314 109 R C 0.932 177.268 176.300 0.059 0.000 1.053 109 R CA -0.628 55.489 56.100 0.029 0.000 0.931 109 R CB 0.661 30.991 30.300 0.050 0.000 1.024 109 R HN 0.604 nan 8.270 nan 0.000 0.457 110 W N 4.356 125.635 121.300 -0.035 0.000 2.290 110 W HA -0.371 4.288 4.660 -0.001 0.000 0.328 110 W C 0.602 177.111 176.519 -0.017 0.000 1.272 110 W CA 2.046 59.374 57.345 -0.028 0.000 1.262 110 W CB -0.084 29.367 29.460 -0.014 0.000 1.151 110 W HN 0.632 nan 8.180 nan 0.000 0.473 111 N N 0.619 119.421 118.700 0.171 0.000 2.166 111 N HA -0.191 4.548 4.740 -0.001 0.000 0.186 111 N C 1.748 177.234 175.510 -0.041 0.000 1.019 111 N CA 1.315 54.413 53.050 0.081 0.000 0.856 111 N CB -0.902 37.658 38.487 0.122 0.000 0.993 111 N HN 0.185 nan 8.380 nan 0.000 0.426 112 K N 1.213 121.587 120.400 -0.043 0.000 2.026 112 K HA -0.064 4.256 4.320 -0.001 0.000 0.208 112 K C 1.867 178.396 176.600 -0.119 0.000 1.048 112 K CA 0.862 57.113 56.287 -0.061 0.000 0.929 112 K CB -0.220 32.255 32.500 -0.042 0.000 0.713 112 K HN 0.042 nan 8.250 nan 0.000 0.439 113 L N 0.834 121.937 121.223 -0.201 0.000 2.131 113 L HA -0.080 4.259 4.340 -0.001 0.000 0.210 113 L C 2.596 179.288 176.870 -0.297 0.000 1.092 113 L CA 1.389 56.067 54.840 -0.270 0.000 0.759 113 L CB -0.679 41.149 42.059 -0.386 0.000 0.903 113 L HN 0.181 nan 8.230 nan 0.000 0.435 114 R N -0.411 119.884 120.500 -0.342 0.000 2.092 114 R HA -0.131 4.208 4.340 -0.001 0.000 0.231 114 R C 1.862 178.094 176.300 -0.113 0.000 1.119 114 R CA 1.217 57.166 56.100 -0.252 0.000 0.970 114 R CB -0.079 30.093 30.300 -0.213 0.000 0.864 114 R HN 0.286 nan 8.270 nan 0.000 0.440 115 D N -0.218 120.131 120.400 -0.085 0.000 2.085 115 D HA -0.117 4.522 4.640 -0.001 0.000 0.199 115 D C 1.985 178.259 176.300 -0.042 0.000 0.981 115 D CA 1.437 55.411 54.000 -0.043 0.000 0.834 115 D CB -0.333 40.452 40.800 -0.025 0.000 0.992 115 D HN 0.022 nan 8.370 nan 0.000 0.457 116 V N 1.401 121.283 119.914 -0.053 0.000 2.265 116 V HA -0.332 3.787 4.120 -0.001 0.000 0.260 116 V C 1.917 177.997 176.094 -0.024 0.000 1.084 116 V CA 1.282 63.560 62.300 -0.036 0.000 1.086 116 V CB -0.728 31.066 31.823 -0.048 0.000 0.704 116 V HN 0.076 nan 8.190 nan 0.000 0.457 139 V N 1.493 121.500 119.914 0.154 0.000 2.255 139 V HA -0.182 3.937 4.120 -0.001 0.000 0.247 139 V C 2.648 178.780 176.094 0.064 0.000 1.051 139 V CA 2.640 64.992 62.300 0.087 0.000 1.018 139 V CB -1.657 30.192 31.823 0.044 0.000 0.641 139 V HN 0.908 nan 8.190 nan 0.000 0.445 140 S N -0.849 114.907 115.700 0.093 0.000 2.365 140 S HA -0.302 4.167 4.470 -0.001 0.000 0.225 140 S C 1.539 176.192 174.600 0.088 0.000 1.039 140 S CA 2.187 60.439 58.200 0.087 0.000 1.033 140 S CB -0.603 62.664 63.200 0.112 0.000 0.887 140 S HN 0.846 nan 8.310 nan 0.000 0.447 141 W N 3.037 124.320 121.300 -0.029 0.000 2.402 141 W HA -0.068 4.592 4.660 -0.001 0.000 0.286 141 W C 1.744 178.226 176.519 -0.062 0.000 1.221 141 W CA 0.961 58.286 57.345 -0.033 0.000 1.257 141 W CB -0.328 29.117 29.460 -0.024 0.000 1.120 141 W HN 0.324 nan 8.180 nan 0.000 0.551 142 L N 0.897 121.932 121.223 -0.314 0.000 2.044 142 L HA -0.030 4.310 4.340 -0.001 0.000 0.205 142 L C 2.177 178.680 176.870 -0.612 0.000 1.075 142 L CA 2.108 56.525 54.840 -0.704 0.000 0.747 142 L CB -1.264 40.642 42.059 -0.255 0.000 0.903 142 L HN 0.102 nan 8.230 nan 0.000 0.435 143 I N 0.690 120.987 120.570 -0.455 0.000 2.208 143 I HA -0.274 3.895 4.170 -0.001 0.000 0.245 143 I C 2.109 177.740 176.117 -0.810 0.000 1.097 143 I CA 1.612 62.557 61.300 -0.593 0.000 1.363 143 I CB -0.666 37.061 38.000 -0.455 0.000 1.051 143 I HN 0.388 nan 8.210 nan 0.000 0.413 144 D N 0.237 120.331 120.400 -0.509 0.000 2.219 144 D HA -0.182 4.457 4.640 -0.001 0.000 0.205 144 D C 1.845 177.967 176.300 -0.297 0.000 0.970 144 D CA 0.967 54.804 54.000 -0.271 0.000 0.851 144 D CB -0.396 40.350 40.800 -0.090 0.000 0.943 144 D HN 0.477 nan 8.370 nan 0.000 0.488 145 N N 0.747 119.113 118.700 -0.556 0.000 2.142 145 N HA -0.130 4.609 4.740 -0.001 0.000 0.186 145 N C 1.865 177.197 175.510 -0.297 0.000 1.023 145 N CA 0.913 53.664 53.050 -0.497 0.000 0.852 145 N CB 0.193 38.167 38.487 -0.855 0.000 0.998 145 N HN -0.020 nan 8.380 nan 0.000 0.424 146 A N 0.882 123.488 122.820 -0.356 0.000 1.908 146 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 146 A C 1.799 179.365 177.584 -0.030 0.000 1.181 146 A CA 1.105 53.005 52.037 -0.227 0.000 0.627 146 A CB -0.851 17.960 19.000 -0.315 0.000 0.818 146 A HN 0.306 nan 8.150 nan 0.000 0.445 147 F N 0.701 120.617 119.950 -0.058 0.000 2.075 147 F HA -0.145 4.381 4.527 -0.001 0.000 0.297 147 F C 2.175 177.963 175.800 -0.021 0.000 1.113 147 F CA 1.020 59.013 58.000 -0.012 0.000 1.218 147 F CB -1.222 37.763 39.000 -0.025 0.000 0.984 147 F HN 0.216 nan 8.300 nan 0.000 0.472 148 D N 0.560 121.044 120.400 0.141 0.000 2.137 148 D HA -0.198 4.442 4.640 -0.001 0.000 0.189 148 D C 1.878 178.215 176.300 0.062 0.000 0.998 148 D CA 1.890 55.930 54.000 0.067 0.000 0.839 148 D CB -0.587 40.220 40.800 0.012 0.000 0.962 148 D HN 0.186 nan 8.370 nan 0.000 0.446 149 D N 0.008 120.427 120.400 0.032 0.000 2.182 149 D HA -0.112 4.527 4.640 -0.001 0.000 0.201 149 D C 2.290 178.635 176.300 0.075 0.000 0.986 149 D CA 0.334 54.358 54.000 0.040 0.000 0.847 149 D CB -0.304 40.500 40.800 0.006 0.000 0.942 149 D HN 0.313 nan 8.370 nan 0.000 0.467 150 I N 0.980 121.607 120.570 0.095 0.000 2.315 150 I HA -0.222 3.947 4.170 -0.001 0.000 0.248 150 I C 2.223 178.412 176.117 0.121 0.000 1.117 150 I CA 1.087 62.459 61.300 0.120 0.000 1.404 150 I CB -0.052 38.059 38.000 0.184 0.000 1.071 150 I HN -0.006 nan 8.210 nan 0.000 0.419 151 E N 0.735 120.999 120.200 0.107 0.000 2.046 151 E HA -0.205 4.144 4.350 -0.001 0.000 0.190 151 E C 2.118 178.763 176.600 0.076 0.000 0.982 151 E CA 0.942 57.389 56.400 0.079 0.000 0.800 151 E CB -0.063 29.672 29.700 0.059 0.000 0.756 151 E HN 0.418 nan 8.360 nan 0.000 0.449 152 K N 0.643 121.085 120.400 0.070 0.000 2.103 152 K HA -0.133 4.187 4.320 -0.001 0.000 0.207 152 K C 2.093 178.731 176.600 0.065 0.000 1.048 152 K CA 1.226 57.548 56.287 0.058 0.000 0.930 152 K CB -0.109 32.421 32.500 0.050 0.000 0.716 152 K HN 0.055 nan 8.250 nan 0.000 0.444 153 A N 1.075 123.952 122.820 0.095 0.000 2.072 153 A HA -0.006 4.313 4.320 -0.001 0.000 0.216 153 A C 0.461 178.123 177.584 0.130 0.000 1.156 153 A CA 0.482 52.585 52.037 0.110 0.000 0.701 153 A CB 0.118 19.253 19.000 0.224 0.000 0.816 153 A HN 0.177 nan 8.150 nan 0.000 0.458 154 N N -0.287 118.504 118.700 0.151 0.000 2.531 154 N HA 0.264 5.003 4.740 -0.001 0.000 0.268 154 N C -2.514 173.088 175.510 0.154 0.000 1.023 154 N CA -1.236 51.936 53.050 0.203 0.000 0.896 154 N CB 1.922 40.584 38.487 0.291 0.000 1.233 154 N HN -0.107 nan 8.380 nan 0.000 0.512 155 P HA -0.152 nan 4.420 nan 0.000 0.213 155 P C 1.031 178.396 177.300 0.108 0.000 1.170 155 P CA 1.509 64.670 63.100 0.101 0.000 0.902 155 P CB 0.462 32.212 31.700 0.083 0.000 0.789 156 K N -1.367 119.123 120.400 0.149 0.000 2.442 156 K HA -0.105 4.214 4.320 -0.001 0.000 0.199 156 K C 0.933 177.597 176.600 0.106 0.000 1.044 156 K CA 0.768 57.130 56.287 0.125 0.000 0.941 156 K CB -0.388 32.233 32.500 0.202 0.000 0.759 156 K HN 0.082 nan 8.250 nan 0.000 0.472 157 L N 0.042 121.311 121.223 0.077 0.000 2.857 157 L HA 0.124 4.464 4.340 -0.001 0.000 0.249 157 L C -0.121 176.781 176.870 0.053 0.000 1.172 157 L CA 0.193 55.050 54.840 0.029 0.000 0.980 157 L CB 0.237 42.266 42.059 -0.051 0.000 1.299 157 L HN -0.201 nan 8.230 nan 0.000 0.535 158 K N 0.588 121.032 120.400 0.074 0.000 2.315 158 K HA 0.446 4.766 4.320 -0.001 0.000 0.291 158 K C 1.225 177.853 176.600 0.047 0.000 1.074 158 K CA 0.781 57.101 56.287 0.054 0.000 0.936 158 K CB -0.161 32.369 32.500 0.050 0.000 1.049 158 K HN 0.227 nan 8.250 nan 0.000 0.471 159 G N 4.067 112.879 108.800 0.021 0.000 2.148 159 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.254 159 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.254 159 G C 0.655 175.574 174.900 0.033 0.000 0.981 159 G CA 0.366 45.465 45.100 -0.001 0.000 0.670 159 G HN 0.664 nan 8.290 nan 0.000 0.528 160 I N 0.061 120.671 120.570 0.067 0.000 3.226 160 I HA 0.177 4.347 4.170 -0.001 0.000 0.277 160 I C 1.038 177.105 176.117 -0.084 0.000 1.243 160 I CA 0.609 61.986 61.300 0.127 0.000 1.459 160 I CB -0.004 38.076 38.000 0.133 0.000 1.093 160 I HN 0.129 nan 8.210 nan 0.000 0.453 161 L N 1.638 122.737 121.223 -0.206 0.000 2.275 161 L HA 0.303 4.642 4.340 -0.001 0.000 0.288 161 L C -0.257 176.428 176.870 -0.308 0.000 1.046 161 L CA -0.584 53.997 54.840 -0.431 0.000 0.805 161 L CB 0.483 42.152 42.059 -0.649 0.000 1.193 161 L HN 0.068 nan 8.230 nan 0.000 0.426 162 N N 3.554 122.076 118.700 -0.295 0.000 2.452 162 N HA 0.108 4.847 4.740 -0.001 0.000 0.266 162 N C 0.093 175.513 175.510 -0.151 0.000 1.209 162 N CA -0.175 52.765 53.050 -0.184 0.000 0.929 162 N CB 0.860 39.265 38.487 -0.137 0.000 1.063 162 N HN 0.383 nan 8.380 nan 0.000 0.472 163 R N 1.868 122.341 120.500 -0.044 0.000 2.637 163 R HA 0.206 4.546 4.340 -0.001 0.000 0.269 163 R C 1.559 177.938 176.300 0.131 0.000 1.089 163 R CA -0.258 55.901 56.100 0.099 0.000 1.177 163 R CB 0.364 30.700 30.300 0.060 0.000 1.091 163 R HN 0.666 nan 8.270 nan 0.000 0.540 164 I N -2.933 117.758 120.570 0.202 0.000 3.883 164 I HA 0.156 4.326 4.170 -0.001 0.000 0.305 164 I C 1.423 177.636 176.117 0.160 0.000 1.247 164 I CA 0.191 61.656 61.300 0.275 0.000 1.350 164 I CB 0.055 38.239 38.000 0.307 0.000 1.194 164 I HN 0.170 nan 8.210 nan 0.000 0.441 165 S N 1.148 116.890 115.700 0.071 0.000 2.500 165 S HA -0.188 4.282 4.470 -0.001 0.000 0.239 165 S C 1.854 176.414 174.600 -0.067 0.000 0.989 165 S CA 1.426 59.650 58.200 0.040 0.000 0.951 165 S CB -0.517 62.722 63.200 0.065 0.000 0.759 165 S HN 0.588 nan 8.310 nan 0.000 0.523 166 Q N -0.373 119.271 119.800 -0.260 0.000 2.096 166 Q HA -0.148 4.191 4.340 -0.001 0.000 0.204 166 Q C -0.214 175.555 176.000 -0.386 0.000 0.982 166 Q CA 1.186 56.742 55.803 -0.411 0.000 0.850 166 Q CB -0.041 28.302 28.738 -0.659 0.000 0.901 166 Q HN 0.601 nan 8.270 nan 0.000 0.422 167 Y N -0.870 119.459 120.300 0.048 0.000 2.260 167 Y HA 0.423 4.972 4.550 -0.001 0.000 0.339 167 Y C 0.675 176.614 175.900 0.064 0.000 1.317 167 Y CA 0.183 58.321 58.100 0.062 0.000 1.514 167 Y CB 0.289 38.801 38.460 0.086 0.000 1.382 167 Y HN 0.028 nan 8.280 nan 0.000 0.581 168 Q N 1.092 121.026 119.800 0.224 0.000 3.230 168 Q HA 0.494 4.833 4.340 -0.001 0.000 0.303 168 Q C -1.502 174.574 176.000 0.127 0.000 0.884 168 Q CA -0.647 55.238 55.803 0.137 0.000 0.859 168 Q CB 0.464 29.256 28.738 0.090 0.000 1.432 168 Q HN 0.621 nan 8.270 nan 0.000 0.403 169 L N 1.702 123.015 121.223 0.149 0.000 2.325 169 L HA 0.396 4.736 4.340 -0.001 0.000 0.284 169 L C -0.101 176.826 176.870 0.096 0.000 1.089 169 L CA -0.287 54.632 54.840 0.133 0.000 0.836 169 L CB 1.151 43.316 42.059 0.176 0.000 1.184 169 L HN 0.608 nan 8.230 nan 0.000 0.444 170 D N 4.066 124.509 120.400 0.072 0.000 2.923 170 D HA -0.096 4.543 4.640 -0.001 0.000 0.220 170 D C 1.358 177.692 176.300 0.056 0.000 1.099 170 D CA 1.001 55.033 54.000 0.053 0.000 0.807 170 D CB 1.076 41.898 40.800 0.037 0.000 1.155 170 D HN 0.783 nan 8.370 nan 0.000 0.524 171 A N 3.933 126.782 122.820 0.048 0.000 1.954 171 A HA -0.324 3.996 4.320 -0.001 0.000 0.222 171 A C 2.114 179.722 177.584 0.041 0.000 1.199 171 A CA 3.019 55.083 52.037 0.044 0.000 0.657 171 A CB -1.406 17.615 19.000 0.035 0.000 0.823 171 A HN 0.790 nan 8.150 nan 0.000 0.463 172 D N -0.309 120.113 120.400 0.036 0.000 2.178 172 D HA -0.166 4.473 4.640 -0.001 0.000 0.201 172 D C 1.942 178.268 176.300 0.045 0.000 0.980 172 D CA 1.710 55.730 54.000 0.033 0.000 0.842 172 D CB -0.399 40.416 40.800 0.025 0.000 0.948 172 D HN 0.489 nan 8.370 nan 0.000 0.472 173 K N -0.161 120.273 120.400 0.057 0.000 2.103 173 K HA 0.130 4.450 4.320 -0.001 0.000 0.204 173 K C 2.413 179.074 176.600 0.103 0.000 1.052 173 K CA 0.224 56.559 56.287 0.079 0.000 0.945 173 K CB -0.405 32.148 32.500 0.088 0.000 0.722 173 K HN 0.419 nan 8.250 nan 0.000 0.443 174 L N 1.000 122.278 121.223 0.091 0.000 2.046 174 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 174 L C 2.454 179.365 176.870 0.068 0.000 1.077 174 L CA 1.115 56.006 54.840 0.084 0.000 0.747 174 L CB -0.480 41.613 42.059 0.057 0.000 0.896 174 L HN 0.074 nan 8.230 nan 0.000 0.432 175 I N -0.419 120.180 120.570 0.048 0.000 2.142 175 I HA -0.200 3.969 4.170 -0.001 0.000 0.240 175 I C 2.617 178.772 176.117 0.063 0.000 1.078 175 I CA 1.592 62.912 61.300 0.033 0.000 1.343 175 I CB -1.175 36.837 38.000 0.021 0.000 1.046 175 I HN 0.274 nan 8.210 nan 0.000 0.405 176 G N 1.005 109.846 108.800 0.070 0.000 2.443 176 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.219 176 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.219 176 G C 1.648 176.616 174.900 0.113 0.000 1.131 176 G CA 0.284 45.429 45.100 0.075 0.000 0.775 176 G HN 0.169 nan 8.290 nan 0.000 0.547 177 L N 0.838 122.150 121.223 0.149 0.000 2.072 177 L HA 0.088 4.427 4.340 -0.001 0.000 0.205 177 L C 2.679 179.766 176.870 0.362 0.000 1.079 177 L CA 0.954 55.936 54.840 0.237 0.000 0.752 177 L CB -0.364 41.831 42.059 0.227 0.000 0.906 177 L HN 0.077 nan 8.230 nan 0.000 0.436 178 I N 0.121 120.848 120.570 0.262 0.000 2.099 178 I HA -0.330 3.839 4.170 -0.001 0.000 0.239 178 I C 2.129 178.489 176.117 0.405 0.000 1.066 178 I CA 1.370 62.857 61.300 0.312 0.000 1.324 178 I CB -1.670 36.328 38.000 -0.004 0.000 1.037 178 I HN 0.361 nan 8.210 nan 0.000 0.401 179 N N 0.873 119.707 118.700 0.222 0.000 2.137 179 N HA -0.230 4.509 4.740 -0.001 0.000 0.190 179 N C 1.757 177.370 175.510 0.171 0.000 1.017 179 N CA 1.127 54.286 53.050 0.181 0.000 0.859 179 N CB -0.441 38.106 38.487 0.099 0.000 1.002 179 N HN 0.360 nan 8.380 nan 0.000 0.428 180 E N 0.226 120.513 120.200 0.144 0.000 2.160 180 E HA -0.054 4.295 4.350 -0.001 0.000 0.195 180 E C 1.233 177.747 176.600 -0.143 0.000 0.991 180 E CA 0.707 57.090 56.400 -0.029 0.000 0.810 180 E CB -0.237 29.389 29.700 -0.124 0.000 0.742 180 E HN 0.398 nan 8.360 nan 0.000 0.466 181 F N 0.030 120.056 119.950 0.127 0.000 2.776 181 F HA 0.107 4.633 4.527 -0.001 0.000 0.300 181 F C 0.749 176.532 175.800 -0.030 0.000 1.116 181 F CA 0.133 58.146 58.000 0.022 0.000 1.375 181 F CB 0.395 39.360 39.000 -0.059 0.000 1.109 181 F HN -0.271 nan 8.300 nan 0.000 0.585 182 S N 1.122 116.959 115.700 0.228 0.000 2.473 182 S HA 0.590 5.059 4.470 -0.001 0.000 0.312 182 S C 0.655 175.302 174.600 0.078 0.000 1.087 182 S CA 0.252 58.554 58.200 0.170 0.000 1.077 182 S CB 0.480 63.859 63.200 0.298 0.000 1.065 182 S HN 0.236 nan 8.310 nan 0.000 0.510 183 L N 2.598 123.837 121.223 0.027 0.000 2.208 183 L HA 0.300 4.639 4.340 -0.001 0.000 0.133 183 L C 2.101 178.968 176.870 -0.005 0.000 1.385 183 L CA 0.287 55.128 54.840 0.000 0.000 1.030 183 L CB -1.236 40.800 42.059 -0.038 0.000 2.075 183 L HN 0.634 nan 8.230 nan 0.000 0.482 184 T N -2.731 111.813 114.554 -0.017 0.000 3.031 184 T HA 0.349 4.699 4.350 -0.001 0.000 0.254 184 T C 0.970 175.679 174.700 0.015 0.000 1.060 184 T CA 1.043 63.142 62.100 -0.002 0.000 1.135 184 T CB -0.193 68.667 68.868 -0.013 0.000 0.896 184 T HN 2.057 nan 8.240 nan 0.000 0.472 201 K N 1.432 121.842 120.400 0.016 0.000 2.090 201 K HA -0.252 4.067 4.320 -0.001 0.000 0.218 201 K C 1.225 177.961 176.600 0.226 0.000 1.055 201 K CA 2.565 58.890 56.287 0.063 0.000 0.941 201 K CB -0.686 31.818 32.500 0.007 0.000 0.722 201 K HN 0.743 nan 8.250 nan 0.000 0.458 202 D N 0.328 120.830 120.400 0.170 0.000 2.311 202 D HA -0.154 4.485 4.640 -0.001 0.000 0.212 202 D C 1.612 178.025 176.300 0.188 0.000 0.972 202 D CA 0.980 55.081 54.000 0.169 0.000 0.887 202 D CB -0.280 40.592 40.800 0.121 0.000 0.915 202 D HN 0.306 nan 8.370 nan 0.000 0.497 203 I N 0.084 120.766 120.570 0.187 0.000 2.162 203 I HA -0.175 3.995 4.170 -0.001 0.000 0.238 203 I C 2.188 178.450 176.117 0.242 0.000 1.076 203 I CA 0.745 62.172 61.300 0.211 0.000 1.353 203 I CB -0.172 37.931 38.000 0.171 0.000 1.063 203 I HN -0.003 nan 8.210 nan 0.000 0.408 204 L N 0.605 121.967 121.223 0.231 0.000 2.265 204 L HA -0.123 4.216 4.340 -0.001 0.000 0.215 204 L C 2.509 179.536 176.870 0.262 0.000 1.117 204 L CA 1.135 56.124 54.840 0.249 0.000 0.782 204 L CB -0.982 41.224 42.059 0.245 0.000 0.914 204 L HN 0.333 nan 8.230 nan 0.000 0.441 205 G N -1.233 107.709 108.800 0.238 0.000 2.408 205 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.217 205 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.217 205 G C 1.409 176.490 174.900 0.301 0.000 1.150 205 G CA 0.640 45.857 45.100 0.195 0.000 0.776 205 G HN 0.378 nan 8.290 nan 0.000 0.542 206 H N 0.084 119.284 119.070 0.216 0.000 2.372 206 H HA 0.101 4.656 4.556 -0.001 0.000 0.301 206 H C 2.563 178.084 175.328 0.322 0.000 1.065 206 H CA 1.039 57.227 56.048 0.234 0.000 1.364 206 H CB -0.251 29.619 29.762 0.181 0.000 1.406 206 H HN 0.064 nan 8.280 nan 0.000 0.521 207 V N 0.531 120.587 119.914 0.237 0.000 2.231 207 V HA -0.355 3.765 4.120 -0.001 0.000 0.248 207 V C 2.188 178.570 176.094 0.480 0.000 1.054 207 V CA 2.379 64.896 62.300 0.361 0.000 1.015 207 V CB -1.049 31.029 31.823 0.424 0.000 0.638 207 V HN 0.509 nan 8.190 nan 0.000 0.444 208 Y N 0.718 121.171 120.300 0.255 0.000 2.102 208 Y HA -0.336 4.214 4.550 -0.001 0.000 0.280 208 Y C 2.624 178.634 175.900 0.182 0.000 1.178 208 Y CA 2.473 60.690 58.100 0.194 0.000 1.146 208 Y CB -0.131 38.392 38.460 0.104 0.000 0.968 208 Y HN 0.334 nan 8.280 nan 0.000 0.504 209 E N -1.083 119.342 120.200 0.375 0.000 2.017 209 E HA -0.296 4.053 4.350 -0.001 0.000 0.193 209 E C 1.982 178.640 176.600 0.097 0.000 0.997 209 E CA 1.549 58.103 56.400 0.256 0.000 0.804 209 E CB -0.607 29.291 29.700 0.331 0.000 0.757 209 E HN 0.623 nan 8.360 nan 0.000 0.448 210 Y N 0.467 120.673 120.300 -0.156 0.000 2.030 210 Y HA -0.340 4.210 4.550 -0.001 0.000 0.272 210 Y C 1.912 177.673 175.900 -0.231 0.000 1.185 210 Y CA 2.031 59.958 58.100 -0.289 0.000 1.120 210 Y CB -0.810 37.346 38.460 -0.506 0.000 0.955 210 Y HN 0.066 nan 8.280 nan 0.000 0.495 211 F N -0.685 119.124 119.950 -0.236 0.000 2.192 211 F HA -0.242 4.285 4.527 -0.001 0.000 0.301 211 F C 2.239 177.927 175.800 -0.187 0.000 1.079 211 F CA 1.446 59.306 58.000 -0.233 0.000 1.303 211 F CB -0.546 38.519 39.000 0.107 0.000 1.024 211 F HN 0.226 nan 8.300 nan 0.000 0.494 212 L N -0.145 121.014 121.223 -0.107 0.000 2.072 212 L HA 0.015 4.355 4.340 -0.001 0.000 0.205 212 L C 2.491 179.079 176.870 -0.469 0.000 1.079 212 L CA 1.923 56.642 54.840 -0.201 0.000 0.752 212 L CB -1.414 40.541 42.059 -0.174 0.000 0.906 212 L HN 0.095 nan 8.230 nan 0.000 0.436 213 G N -1.452 106.883 108.800 -0.776 0.000 2.552 213 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.216 213 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.216 213 G C 1.297 175.718 174.900 -0.798 0.000 1.240 213 G CA 0.630 44.884 45.100 -1.409 0.000 0.796 213 G HN 0.394 nan 8.290 nan 0.000 0.568 214 Q N 0.078 119.420 119.800 -0.764 0.000 2.142 214 Q HA -0.192 4.147 4.340 -0.001 0.000 0.213 214 Q C 2.324 177.962 176.000 -0.603 0.000 1.004 214 Q CA 1.419 56.666 55.803 -0.926 0.000 0.883 214 Q CB -0.785 26.889 28.738 -1.773 0.000 0.939 214 Q HN 0.546 nan 8.270 nan 0.000 0.413 215 F N 0.283 120.040 119.950 -0.321 0.000 2.216 215 F HA -0.120 4.406 4.527 -0.001 0.000 0.300 215 F C 2.351 178.086 175.800 -0.109 0.000 1.085 215 F CA 0.929 58.888 58.000 -0.069 0.000 1.326 215 F CB -0.546 38.429 39.000 -0.042 0.000 1.027 215 F HN 0.094 nan 8.300 nan 0.000 0.497 216 A N 0.124 122.934 122.820 -0.017 0.000 1.854 216 A HA -0.089 4.230 4.320 -0.001 0.000 0.214 216 A C 2.249 179.836 177.584 0.006 0.000 1.192 216 A CA 1.140 53.178 52.037 0.002 0.000 0.611 216 A CB -1.086 17.957 19.000 0.071 0.000 0.832 216 A HN 0.303 nan 8.150 nan 0.000 0.442 217 L N -0.592 120.617 121.223 -0.023 0.000 2.030 217 L HA -0.361 3.978 4.340 -0.001 0.000 0.222 217 L C 3.050 179.912 176.870 -0.013 0.000 1.082 217 L CA 1.784 56.621 54.840 -0.005 0.000 0.785 217 L CB -0.590 41.427 42.059 -0.070 0.000 0.895 217 L HN 0.484 nan 8.230 nan 0.000 0.439 218 A N 0.002 122.811 122.820 -0.018 0.000 1.929 218 A HA -0.164 4.155 4.320 -0.001 0.000 0.216 218 A C 2.103 179.726 177.584 0.065 0.000 1.176 218 A CA 1.339 53.400 52.037 0.041 0.000 0.628 218 A CB -0.456 18.611 19.000 0.112 0.000 0.816 218 A HN 0.647 nan 8.150 nan 0.000 0.444 219 E N -1.061 119.185 120.200 0.076 0.000 2.482 219 E HA 0.218 4.567 4.350 -0.001 0.000 0.196 219 E C 1.205 177.798 176.600 -0.012 0.000 1.047 219 E CA 0.646 57.072 56.400 0.043 0.000 0.869 219 E CB -0.474 29.251 29.700 0.043 0.000 0.836 219 E HN 0.759 nan 8.360 nan 0.000 0.520 220 G N 2.584 111.377 108.800 -0.011 0.000 2.196 220 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.268 220 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.268 220 G C 0.220 175.082 174.900 -0.062 0.000 0.975 220 G CA 0.850 45.938 45.100 -0.021 0.000 0.648 220 G HN 0.555 nan 8.290 nan 0.000 0.538 221 K N 0.547 120.861 120.400 -0.144 0.000 2.339 221 K HA 0.543 4.862 4.320 -0.001 0.000 0.286 221 K C 0.002 176.475 176.600 -0.212 0.000 1.050 221 K CA -0.332 55.773 56.287 -0.305 0.000 0.956 221 K CB 0.889 32.981 32.500 -0.680 0.000 0.990 221 K HN 0.412 nan 8.250 nan 0.000 0.475 222 Q N 1.588 121.360 119.800 -0.047 0.000 2.348 222 Q HA 0.644 4.983 4.340 -0.001 0.000 0.271 222 Q C -0.327 175.777 176.000 0.174 0.000 1.067 222 Q CA -0.918 54.917 55.803 0.052 0.000 0.839 222 Q CB 2.287 31.012 28.738 -0.022 0.000 1.354 222 Q HN 1.003 nan 8.270 nan 0.000 0.447 223 G N -0.472 108.317 108.800 -0.018 0.000 2.354 223 G HA2 0.010 3.969 3.960 -0.001 0.000 0.582 223 G HA3 0.010 3.969 3.960 -0.001 0.000 0.582 223 G C 0.180 174.936 174.900 -0.239 0.000 1.316 223 G CA -0.435 44.540 45.100 -0.208 0.000 0.995 223 G HN 0.675 nan 8.290 nan 0.000 0.573 224 G N -0.404 108.192 108.800 -0.340 0.000 2.511 224 G HA2 0.141 4.100 3.960 -0.001 0.000 0.217 224 G HA3 0.141 4.100 3.960 -0.001 0.000 0.217 224 G C 1.585 176.306 174.900 -0.299 0.000 1.133 224 G CA 1.646 46.571 45.100 -0.291 0.000 0.792 224 G HN 1.066 nan 8.290 nan 0.000 0.539 225 Q N -0.305 119.235 119.800 -0.432 0.000 2.436 225 Q HA -0.049 4.291 4.340 -0.001 0.000 0.209 225 Q C 1.259 176.969 176.000 -0.483 0.000 0.965 225 Q CA 0.935 56.431 55.803 -0.511 0.000 0.910 225 Q CB -0.303 28.048 28.738 -0.645 0.000 0.980 225 Q HN 0.564 nan 8.270 nan 0.000 0.491 226 Y N -0.730 119.533 120.300 -0.061 0.000 2.583 226 Y HA 0.270 4.819 4.550 -0.002 0.000 0.270 226 Y C 0.333 176.264 175.900 0.051 0.000 1.113 226 Y CA -0.243 57.856 58.100 -0.003 0.000 1.307 226 Y CB 0.246 38.712 38.460 0.011 0.000 1.369 226 Y HN 0.126 nan 8.280 nan 0.000 0.506 227 Y N -0.149 120.169 120.300 0.031 0.000 2.436 227 Y HA 0.586 5.135 4.550 -0.001 0.000 0.327 227 Y C -1.625 174.183 175.900 -0.152 0.000 1.138 227 Y CA -1.506 56.553 58.100 -0.067 0.000 1.042 227 Y CB 1.530 39.958 38.460 -0.054 0.000 1.302 227 Y HN -0.079 nan 8.280 nan 0.000 0.439 228 T N 8.281 122.444 114.554 -0.651 0.000 2.797 228 T HA 0.454 4.804 4.350 -0.001 0.000 0.279 228 T C -2.888 171.173 174.700 -1.066 0.000 0.991 228 T CA -1.553 60.050 62.100 -0.829 0.000 0.979 228 T CB 1.521 70.076 68.868 -0.522 0.000 0.943 228 T HN 0.397 nan 8.240 nan 0.000 0.444 229 P HA 0.140 nan 4.420 nan 0.000 0.267 229 P C 0.997 178.104 177.300 -0.322 0.000 1.205 229 P CA -0.292 62.355 63.100 -0.755 0.000 0.765 229 P CB 0.671 31.853 31.700 -0.864 0.000 0.828 230 K N 2.411 122.770 120.400 -0.069 0.000 2.071 230 K HA -0.284 4.035 4.320 -0.001 0.000 0.217 230 K C 1.969 178.570 176.600 0.002 0.000 1.054 230 K CA 2.682 58.974 56.287 0.009 0.000 0.937 230 K CB -0.544 32.038 32.500 0.137 0.000 0.719 230 K HN 0.609 nan 8.250 nan 0.000 0.454 231 S N 0.516 116.254 115.700 0.062 0.000 2.370 231 S HA -0.175 4.294 4.470 -0.001 0.000 0.226 231 S C 2.000 176.661 174.600 0.101 0.000 1.033 231 S CA 1.598 59.878 58.200 0.133 0.000 1.011 231 S CB -0.578 62.737 63.200 0.191 0.000 0.852 231 S HN 0.375 nan 8.310 nan 0.000 0.457 232 I N 0.879 121.442 120.570 -0.011 0.000 2.500 232 I HA -0.032 4.137 4.170 -0.001 0.000 0.252 232 I C 2.340 178.399 176.117 -0.097 0.000 1.142 232 I CA 0.632 61.917 61.300 -0.025 0.000 1.451 232 I CB -0.262 37.678 38.000 -0.100 0.000 1.093 232 I HN 0.233 nan 8.210 nan 0.000 0.430 233 V N 0.614 120.363 119.914 -0.274 0.000 2.488 233 V HA -0.191 3.928 4.120 -0.001 0.000 0.246 233 V C 2.472 178.465 176.094 -0.167 0.000 1.046 233 V CA 2.146 64.151 62.300 -0.492 0.000 1.053 233 V CB -0.625 30.767 31.823 -0.719 0.000 0.679 233 V HN 0.446 nan 8.190 nan 0.000 0.458 234 T N 0.710 115.232 114.554 -0.053 0.000 2.777 234 T HA -0.170 4.179 4.350 -0.001 0.000 0.266 234 T C 1.886 176.636 174.700 0.083 0.000 1.040 234 T CA 1.739 63.869 62.100 0.050 0.000 1.141 234 T CB -0.314 68.611 68.868 0.095 0.000 0.868 234 T HN 0.305 nan 8.240 nan 0.000 0.444 235 L N 1.247 122.524 121.223 0.090 0.000 1.994 235 L HA 0.060 4.400 4.340 -0.001 0.000 0.208 235 L C 2.210 179.135 176.870 0.092 0.000 1.071 235 L CA 1.588 56.488 54.840 0.099 0.000 0.745 235 L CB -0.715 41.421 42.059 0.129 0.000 0.892 235 L HN 0.233 nan 8.230 nan 0.000 0.431 236 I N -1.299 119.341 120.570 0.117 0.000 2.335 236 I HA -0.279 3.890 4.170 -0.001 0.000 0.251 236 I C 2.264 178.446 176.117 0.109 0.000 1.129 236 I CA 1.027 62.415 61.300 0.147 0.000 1.402 236 I CB -0.243 37.907 38.000 0.249 0.000 1.069 236 I HN 0.156 nan 8.210 nan 0.000 0.424 237 V N 0.211 120.158 119.914 0.055 0.000 2.379 237 V HA -0.181 3.938 4.120 -0.001 0.000 0.245 237 V C 2.404 178.332 176.094 -0.277 0.000 1.044 237 V CA 1.509 63.742 62.300 -0.110 0.000 1.036 237 V CB -0.486 31.276 31.823 -0.101 0.000 0.664 237 V HN 0.358 nan 8.190 nan 0.000 0.453 238 E N -0.245 119.918 120.200 -0.063 0.000 2.204 238 E HA -0.159 4.190 4.350 -0.001 0.000 0.195 238 E C 2.146 178.874 176.600 0.213 0.000 0.990 238 E CA 1.209 57.659 56.400 0.083 0.000 0.821 238 E CB -0.191 29.671 29.700 0.271 0.000 0.750 238 E HN 0.567 nan 8.360 nan 0.000 0.477 239 M N -0.212 119.492 119.600 0.173 0.000 2.200 239 M HA -0.066 4.414 4.480 -0.001 0.000 0.265 239 M C 2.237 178.938 176.300 0.668 0.000 1.066 239 M CA 1.003 56.486 55.300 0.305 0.000 1.127 239 M CB -0.114 32.559 32.600 0.122 0.000 1.379 239 M HN 0.047 nan 8.290 nan 0.000 0.420 240 L N -0.299 121.182 121.223 0.429 0.000 2.209 240 L HA -0.010 4.329 4.340 -0.001 0.000 0.207 240 L C 0.300 177.260 176.870 0.150 0.000 1.094 240 L CA 0.356 55.463 54.840 0.445 0.000 0.790 240 L CB -0.184 42.020 42.059 0.241 0.000 0.932 240 L HN 0.314 nan 8.230 nan 0.000 0.447 241 E N -0.436 119.570 120.200 -0.324 0.000 2.257 241 E HA -0.156 4.193 4.350 -0.001 0.000 0.217 241 E C -2.228 173.874 176.600 -0.830 0.000 1.248 241 E CA -0.247 55.769 56.400 -0.639 0.000 0.691 241 E CB -1.141 28.501 29.700 -0.096 0.000 1.185 241 E HN 0.290 nan 8.360 nan 0.000 0.377 242 P HA 0.029 nan 4.420 nan 0.000 0.274 242 P C -0.401 176.541 177.300 -0.596 0.000 1.470 242 P CA 0.151 62.382 63.100 -1.448 0.000 1.001 242 P CB -0.017 30.843 31.700 -1.399 0.000 1.332 243 Y N 2.348 122.580 120.300 -0.113 0.000 2.448 243 Y HA 0.176 4.725 4.550 -0.001 0.000 0.289 243 Y C 1.434 177.336 175.900 0.002 0.000 1.114 243 Y CA 0.819 58.940 58.100 0.035 0.000 1.235 243 Y CB 0.550 39.049 38.460 0.065 0.000 1.045 243 Y HN 0.234 nan 8.280 nan 0.000 0.554 244 K N -0.587 119.939 120.400 0.209 0.000 2.570 244 K HA 0.497 4.816 4.320 -0.001 0.000 0.256 244 K C -0.461 176.327 176.600 0.312 0.000 0.939 244 K CA 0.229 56.641 56.287 0.210 0.000 0.833 244 K CB 1.253 33.859 32.500 0.177 0.000 1.318 244 K HN 0.215 nan 8.250 nan 0.000 0.433 245 G N 2.699 111.641 108.800 0.238 0.000 2.255 245 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.216 245 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.216 245 G C -1.643 173.406 174.900 0.248 0.000 1.307 245 G CA -1.029 44.214 45.100 0.238 0.000 1.162 245 G HN 0.557 nan 8.290 nan 0.000 0.494 246 R N -0.314 120.332 120.500 0.243 0.000 2.229 246 R HA 0.589 4.929 4.340 -0.001 0.000 0.328 246 R C -0.684 175.816 176.300 0.333 0.000 1.009 246 R CA -0.521 55.725 56.100 0.243 0.000 0.864 246 R CB 1.977 32.309 30.300 0.053 0.000 1.085 246 R HN 0.335 nan 8.270 nan 0.000 0.453 247 V N 4.594 124.738 119.914 0.383 0.000 2.398 247 V HA 0.305 4.424 4.120 -0.001 0.000 0.286 247 V C -1.092 175.334 176.094 0.553 0.000 1.026 247 V CA -0.691 61.865 62.300 0.427 0.000 0.868 247 V CB 1.126 33.161 31.823 0.353 0.000 0.982 247 V HN 0.586 nan 8.190 nan 0.000 0.443 248 Y N 3.920 124.421 120.300 0.335 0.000 2.457 248 Y HA 0.681 5.230 4.550 -0.001 0.000 0.343 248 Y C -1.204 174.819 175.900 0.205 0.000 0.994 248 Y CA -1.690 56.596 58.100 0.311 0.000 1.031 248 Y CB 2.138 40.684 38.460 0.143 0.000 1.246 248 Y HN 0.647 nan 8.280 nan 0.000 0.449 249 D N 7.687 128.058 120.400 -0.048 0.000 2.476 249 D HA 0.383 5.022 4.640 -0.001 0.000 0.251 249 D C -2.512 173.534 176.300 -0.423 0.000 1.291 249 D CA -2.220 51.535 54.000 -0.408 0.000 0.939 249 D CB 2.545 43.064 40.800 -0.468 0.000 1.221 249 D HN 0.304 nan 8.370 nan 0.000 0.567 250 P HA 0.165 nan 4.420 nan 0.000 0.237 250 P C -0.076 177.127 177.300 -0.162 0.000 1.178 250 P CA 0.331 63.273 63.100 -0.264 0.000 0.766 250 P CB 0.460 32.099 31.700 -0.103 0.000 0.876 251 A N 0.073 122.680 122.820 -0.354 0.000 3.474 251 A HA 0.336 4.655 4.320 -0.001 0.000 0.251 251 A C 0.936 178.306 177.584 -0.357 0.000 1.062 251 A CA -0.394 51.401 52.037 -0.404 0.000 0.945 251 A CB -0.821 17.673 19.000 -0.843 0.000 1.296 251 A HN 0.079 nan 8.150 nan 0.000 0.592 252 M N -0.379 119.057 119.600 -0.274 0.000 2.632 252 M HA 0.293 4.772 4.480 -0.001 0.000 0.256 252 M C 1.266 177.421 176.300 -0.243 0.000 1.080 252 M CA 1.310 56.433 55.300 -0.296 0.000 1.084 252 M CB -0.644 31.776 32.600 -0.301 0.000 1.439 252 M HN 1.268 nan 8.290 nan 0.000 0.509 253 G N 2.023 110.691 108.800 -0.220 0.000 2.582 253 G HA2 -0.401 3.558 3.960 -0.001 0.000 0.288 253 G HA3 -0.401 3.558 3.960 -0.001 0.000 0.288 253 G C 0.547 175.376 174.900 -0.118 0.000 1.247 253 G CA 1.252 46.253 45.100 -0.165 0.000 0.972 253 G HN 0.894 nan 8.290 nan 0.000 0.557 254 S N 0.482 116.154 115.700 -0.048 0.000 2.660 254 S HA 0.387 4.856 4.470 -0.001 0.000 0.228 254 S C 2.013 176.598 174.600 -0.026 0.000 0.966 254 S CA 1.155 59.351 58.200 -0.006 0.000 0.940 254 S CB -0.046 63.194 63.200 0.067 0.000 0.773 254 S HN 2.800 nan 8.310 nan 0.000 0.535 255 G N 0.203 108.947 108.800 -0.094 0.000 2.131 255 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.223 255 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.223 255 G C 0.864 175.726 174.900 -0.064 0.000 0.990 255 G CA 0.048 45.110 45.100 -0.064 0.000 0.671 255 G HN 0.875 nan 8.290 nan 0.000 0.521 256 G N 0.105 108.833 108.800 -0.119 0.000 2.469 256 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.220 256 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.220 256 G C 1.402 176.117 174.900 -0.308 0.000 1.136 256 G CA 1.527 46.513 45.100 -0.190 0.000 0.759 256 G HN 0.527 nan 8.290 nan 0.000 0.562 257 F N -0.309 119.434 119.950 -0.346 0.000 2.502 257 F HA 0.185 4.711 4.527 -0.001 0.000 0.298 257 F C 2.043 177.699 175.800 -0.240 0.000 1.111 257 F CA 0.344 58.131 58.000 -0.355 0.000 1.445 257 F CB -0.053 38.653 39.000 -0.490 0.000 1.081 257 F HN 0.050 nan 8.300 nan 0.000 0.558 258 F N -1.246 118.794 119.950 0.151 0.000 2.179 258 F HA -0.043 4.483 4.527 -0.001 0.000 0.292 258 F C 2.336 178.191 175.800 0.092 0.000 1.089 258 F CA 0.307 58.384 58.000 0.128 0.000 1.295 258 F CB -1.476 37.616 39.000 0.154 0.000 1.041 258 F HN -0.327 nan 8.300 nan 0.000 0.487 259 V N -0.318 119.736 119.914 0.233 0.000 2.278 259 V HA -0.352 3.767 4.120 -0.001 0.000 0.251 259 V C 2.663 178.840 176.094 0.138 0.000 1.062 259 V CA 2.348 64.743 62.300 0.158 0.000 1.038 259 V CB -1.076 30.818 31.823 0.119 0.000 0.646 259 V HN 0.476 nan 8.190 nan 0.000 0.447 260 S N -0.872 114.881 115.700 0.089 0.000 2.382 260 S HA -0.191 4.279 4.470 -0.001 0.000 0.228 260 S C 2.148 176.831 174.600 0.139 0.000 1.027 260 S CA 1.985 60.233 58.200 0.080 0.000 0.991 260 S CB -0.272 62.914 63.200 -0.023 0.000 0.823 260 S HN 0.625 nan 8.310 nan 0.000 0.469 261 S N 0.768 116.556 115.700 0.147 0.000 2.402 261 S HA -0.063 4.406 4.470 -0.001 0.000 0.229 261 S C 1.503 176.221 174.600 0.197 0.000 1.021 261 S CA 1.275 59.560 58.200 0.141 0.000 0.974 261 S CB -0.558 62.738 63.200 0.159 0.000 0.800 261 S HN 0.685 nan 8.310 nan 0.000 0.484 262 D N 1.173 121.689 120.400 0.192 0.000 2.077 262 D HA -0.046 4.593 4.640 -0.001 0.000 0.196 262 D C 2.011 178.422 176.300 0.185 0.000 0.986 262 D CA 1.142 55.248 54.000 0.175 0.000 0.829 262 D CB -0.035 40.858 40.800 0.154 0.000 0.983 262 D HN 0.151 nan 8.370 nan 0.000 0.453 263 K N -0.686 119.820 120.400 0.177 0.000 2.107 263 K HA -0.226 4.093 4.320 -0.001 0.000 0.211 263 K C 2.160 178.890 176.600 0.216 0.000 1.049 263 K CA 1.371 57.762 56.287 0.173 0.000 0.927 263 K CB -0.457 32.138 32.500 0.157 0.000 0.714 263 K HN 0.245 nan 8.250 nan 0.000 0.452 264 F N 1.707 121.715 119.950 0.097 0.000 2.146 264 F HA -0.215 4.311 4.527 -0.001 0.000 0.298 264 F C 1.860 177.745 175.800 0.142 0.000 1.096 264 F CA 1.007 59.063 58.000 0.094 0.000 1.275 264 F CB -0.010 38.957 39.000 -0.055 0.000 1.008 264 F HN -0.103 nan 8.300 nan 0.000 0.480 265 I N 1.019 121.723 120.570 0.222 0.000 2.052 265 I HA -0.332 3.838 4.170 -0.001 0.000 0.235 265 I C 2.316 178.582 176.117 0.247 0.000 1.046 265 I CA 1.900 63.337 61.300 0.228 0.000 1.308 265 I CB -1.670 36.460 38.000 0.216 0.000 1.031 265 I HN 0.263 nan 8.210 nan 0.000 0.395 266 E N 0.609 120.923 120.200 0.191 0.000 2.086 266 E HA -0.260 4.089 4.350 -0.001 0.000 0.205 266 E C 1.933 178.576 176.600 0.073 0.000 1.027 266 E CA 1.364 57.848 56.400 0.140 0.000 0.830 266 E CB -0.178 29.588 29.700 0.109 0.000 0.751 266 E HN 0.233 nan 8.360 nan 0.000 0.456 267 K N 0.292 120.730 120.400 0.064 0.000 2.574 267 K HA -0.059 4.260 4.320 -0.001 0.000 0.193 267 K C 0.562 177.069 176.600 -0.157 0.000 1.035 267 K CA 0.753 57.029 56.287 -0.018 0.000 0.982 267 K CB -0.035 32.471 32.500 0.011 0.000 0.795 267 K HN 0.412 nan 8.250 nan 0.000 0.491 268 H N -2.114 116.842 119.070 -0.189 0.000 2.767 268 H HA 0.221 4.776 4.556 -0.001 0.000 0.260 268 H C 1.097 176.201 175.328 -0.374 0.000 1.172 268 H CA 0.148 56.077 56.048 -0.198 0.000 1.048 268 H CB 0.964 30.639 29.762 -0.145 0.000 1.697 268 H HN 0.075 nan 8.280 nan 0.000 0.606 269 A N 1.079 123.688 122.820 -0.352 0.000 1.968 269 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 269 A C 1.965 179.247 177.584 -0.504 0.000 1.169 269 A CA 0.952 52.554 52.037 -0.725 0.000 0.638 269 A CB -0.004 18.823 19.000 -0.288 0.000 0.812 269 A HN 0.273 nan 8.150 nan 0.000 0.446 270 N N 0.056 118.568 118.700 -0.312 0.000 2.207 270 N HA -0.063 4.676 4.740 -0.001 0.000 0.182 270 N C 1.395 176.712 175.510 -0.321 0.000 1.020 270 N CA 1.539 54.443 53.050 -0.244 0.000 0.858 270 N CB -0.282 38.105 38.487 -0.167 0.000 0.991 270 N HN 0.256 nan 8.380 nan 0.000 0.427 271 V N 0.822 120.541 119.914 -0.324 0.000 3.541 271 V HA 0.104 4.224 4.120 -0.001 0.000 0.267 271 V C 1.575 177.444 176.094 -0.375 0.000 1.213 271 V CA 0.897 63.006 62.300 -0.318 0.000 1.149 271 V CB -0.057 31.639 31.823 -0.212 0.000 0.822 271 V HN 0.145 nan 8.190 nan 0.000 0.462 272 K N -1.014 119.142 120.400 -0.408 0.000 2.440 272 K HA 0.251 4.570 4.320 -0.001 0.000 0.207 272 K C -0.122 176.358 176.600 -0.199 0.000 1.112 272 K CA -0.210 55.909 56.287 -0.281 0.000 1.036 272 K CB 0.360 32.774 32.500 -0.142 0.000 0.935 272 K HN 0.550 nan 8.250 nan 0.000 0.564 273 H N -0.289 118.659 119.070 -0.204 0.000 2.944 273 H HA -0.211 4.345 4.556 -0.001 0.000 0.313 273 H C -0.865 174.444 175.328 -0.031 0.000 1.293 273 H CA 0.749 56.728 56.048 -0.114 0.000 1.173 273 H CB -2.050 27.686 29.762 -0.044 0.000 1.420 273 H HN 0.299 nan 8.280 nan 0.000 0.432 274 Y N -1.773 118.567 120.300 0.068 0.000 2.634 274 Y HA 0.461 5.010 4.550 -0.001 0.000 0.340 274 Y C -0.366 175.561 175.900 0.045 0.000 1.058 274 Y CA -1.963 56.165 58.100 0.048 0.000 1.081 274 Y CB 1.006 39.482 38.460 0.027 0.000 1.295 274 Y HN 0.180 nan 8.280 nan 0.000 0.487 275 N N 1.109 120.015 118.700 0.343 0.000 2.406 275 N HA 0.224 4.963 4.740 -0.001 0.000 0.251 275 N C 0.816 176.560 175.510 0.390 0.000 1.069 275 N CA 0.626 53.827 53.050 0.252 0.000 0.947 275 N CB 1.706 40.281 38.487 0.147 0.000 1.111 275 N HN 1.022 nan 8.380 nan 0.000 0.497 276 A N 3.647 126.682 122.820 0.359 0.000 1.881 276 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 276 A C 2.144 179.853 177.584 0.208 0.000 1.215 276 A CA 2.127 54.389 52.037 0.375 0.000 0.648 276 A CB -0.970 18.168 19.000 0.231 0.000 0.832 276 A HN 0.702 nan 8.150 nan 0.000 0.455 277 S N -1.384 114.403 115.700 0.145 0.000 2.474 277 S HA -0.087 4.383 4.470 -0.001 0.000 0.235 277 S C 1.805 176.450 174.600 0.076 0.000 0.997 277 S CA 1.140 59.398 58.200 0.097 0.000 0.949 277 S CB -0.318 62.930 63.200 0.079 0.000 0.766 277 S HN 0.527 nan 8.310 nan 0.000 0.517 278 E N 0.356 120.608 120.200 0.086 0.000 2.190 278 E HA 0.068 4.417 4.350 -0.001 0.000 0.191 278 E C 2.127 178.735 176.600 0.013 0.000 0.978 278 E CA 0.405 56.838 56.400 0.055 0.000 0.839 278 E CB -0.119 29.622 29.700 0.068 0.000 0.787 278 E HN 0.488 nan 8.360 nan 0.000 0.473 279 Q N 0.602 120.389 119.800 -0.022 0.000 2.137 279 Q HA -0.061 4.278 4.340 -0.001 0.000 0.198 279 Q C 1.926 177.900 176.000 -0.043 0.000 0.960 279 Q CA 0.611 56.328 55.803 -0.144 0.000 0.847 279 Q CB 0.040 28.457 28.738 -0.536 0.000 0.915 279 Q HN 0.088 nan 8.270 nan 0.000 0.448 280 K N 1.261 121.672 120.400 0.018 0.000 2.071 280 K HA -0.219 4.100 4.320 -0.001 0.000 0.217 280 K C 1.886 178.502 176.600 0.027 0.000 1.054 280 K CA 1.570 57.884 56.287 0.044 0.000 0.937 280 K CB -0.394 32.144 32.500 0.062 0.000 0.719 280 K HN 0.205 nan 8.250 nan 0.000 0.454 281 K N 0.943 121.354 120.400 0.018 0.000 2.281 281 K HA -0.114 4.205 4.320 -0.001 0.000 0.203 281 K C 2.017 178.624 176.600 0.011 0.000 1.046 281 K CA 0.916 57.208 56.287 0.009 0.000 0.938 281 K CB 0.035 32.540 32.500 0.009 0.000 0.737 281 K HN 0.218 nan 8.250 nan 0.000 0.458 282 Q N 0.498 120.306 119.800 0.013 0.000 2.472 282 Q HA 0.026 4.365 4.340 -0.001 0.000 0.208 282 Q C 0.920 176.952 176.000 0.054 0.000 0.958 282 Q CA 0.545 56.363 55.803 0.025 0.000 0.932 282 Q CB -0.185 28.557 28.738 0.006 0.000 1.007 282 Q HN 0.488 nan 8.270 nan 0.000 0.508 283 I N -2.056 118.545 120.570 0.052 0.000 2.750 283 I HA 0.499 4.668 4.170 -0.001 0.000 0.308 283 I C -0.451 175.691 176.117 0.043 0.000 1.016 283 I CA -0.968 60.378 61.300 0.077 0.000 1.098 283 I CB 2.204 40.254 38.000 0.083 0.000 1.279 283 I HN -0.211 nan 8.210 nan 0.000 0.454 284 S N 3.616 119.358 115.700 0.069 0.000 2.521 284 S HA 0.725 5.194 4.470 -0.001 0.000 0.295 284 S C -0.785 173.783 174.600 -0.053 0.000 1.098 284 S CA -0.741 57.439 58.200 -0.034 0.000 0.999 284 S CB 1.724 64.944 63.200 0.033 0.000 1.034 284 S HN 0.581 nan 8.310 nan 0.000 0.483 285 V N 3.408 123.139 119.914 -0.306 0.000 2.394 285 V HA 0.475 4.594 4.120 -0.001 0.000 0.282 285 V C -1.414 174.378 176.094 -0.502 0.000 1.031 285 V CA -0.442 61.639 62.300 -0.365 0.000 0.881 285 V CB 0.480 31.965 31.823 -0.563 0.000 0.982 285 V HN 0.924 nan 8.190 nan 0.000 0.451 286 Y N 2.696 122.945 120.300 -0.084 0.000 2.425 286 Y HA 0.804 5.354 4.550 -0.001 0.000 0.344 286 Y C 0.577 176.756 175.900 0.466 0.000 0.969 286 Y CA -0.636 57.464 58.100 -0.000 0.000 1.052 286 Y CB 2.532 40.763 38.460 -0.383 0.000 1.215 286 Y HN 0.737 nan 8.280 nan 0.000 0.451 287 G N 1.489 110.809 108.800 0.867 0.000 2.695 287 G HA2 0.616 4.576 3.960 -0.001 0.000 0.290 287 G HA3 0.616 4.576 3.960 -0.001 0.000 0.290 287 G C -2.246 173.046 174.900 0.652 0.000 1.410 287 G CA -0.783 44.775 45.100 0.762 0.000 0.844 287 G HN 0.480 nan 8.290 nan 0.000 0.478 288 Q N -0.768 119.240 119.800 0.346 0.000 2.377 288 Q HA 0.586 4.925 4.340 -0.001 0.000 0.279 288 Q C -1.857 174.202 176.000 0.098 0.000 1.049 288 Q CA -0.694 55.268 55.803 0.265 0.000 0.825 288 Q CB 2.864 31.768 28.738 0.278 0.000 1.401 288 Q HN 0.521 nan 8.270 nan 0.000 0.404 289 E N -0.107 120.197 120.200 0.174 0.000 2.343 289 E HA 0.317 4.666 4.350 -0.001 0.000 0.278 289 E C -0.890 175.806 176.600 0.161 0.000 0.910 289 E CA -0.191 56.279 56.400 0.117 0.000 0.757 289 E CB 1.764 31.523 29.700 0.098 0.000 1.218 289 E HN 0.545 nan 8.360 nan 0.000 0.435 290 S N 2.921 118.681 115.700 0.099 0.000 2.456 290 S HA 0.141 4.610 4.470 -0.001 0.000 0.224 290 S C 0.777 175.425 174.600 0.081 0.000 1.035 290 S CA -0.096 58.160 58.200 0.093 0.000 0.940 290 S CB -0.158 63.105 63.200 0.106 0.000 0.799 290 S HN 0.445 nan 8.310 nan 0.000 0.508 291 N N 3.471 122.222 118.700 0.085 0.000 2.430 291 N HA 0.244 4.983 4.740 -0.001 0.000 0.265 291 N C -1.820 173.757 175.510 0.111 0.000 1.100 291 N CA -1.823 51.281 53.050 0.091 0.000 0.961 291 N CB 1.550 40.097 38.487 0.099 0.000 1.075 291 N HN 0.059 nan 8.380 nan 0.000 0.478 292 P HA -0.100 nan 4.420 nan 0.000 0.215 292 P C 1.141 178.501 177.300 0.099 0.000 1.153 292 P CA 1.421 64.541 63.100 0.034 0.000 0.853 292 P CB 0.159 31.842 31.700 -0.029 0.000 0.788 293 T N -0.191 114.408 114.554 0.074 0.000 2.665 293 T HA -0.130 4.220 4.350 -0.001 0.000 0.268 293 T C 1.845 176.639 174.700 0.157 0.000 1.035 293 T CA 2.446 64.587 62.100 0.068 0.000 1.151 293 T CB -1.187 67.713 68.868 0.052 0.000 0.862 293 T HN 0.226 nan 8.240 nan 0.000 0.438 294 T N 0.093 114.749 114.554 0.170 0.000 2.777 294 T HA -0.089 4.261 4.350 -0.001 0.000 0.266 294 T C 1.456 176.240 174.700 0.139 0.000 1.040 294 T CA 1.063 63.253 62.100 0.149 0.000 1.141 294 T CB -0.453 68.478 68.868 0.105 0.000 0.868 294 T HN 0.542 nan 8.240 nan 0.000 0.444 295 W N 2.646 123.932 121.300 -0.023 0.000 2.301 295 W HA -0.221 4.438 4.660 -0.001 0.000 0.325 295 W C 2.213 178.726 176.519 -0.010 0.000 1.250 295 W CA 1.527 58.850 57.345 -0.038 0.000 1.261 295 W CB -0.112 29.349 29.460 0.001 0.000 1.157 295 W HN 0.089 nan 8.180 nan 0.000 0.473 296 K N -0.177 120.508 120.400 0.474 0.000 2.034 296 K HA -0.267 4.053 4.320 -0.001 0.000 0.214 296 K C 1.940 178.566 176.600 0.043 0.000 1.051 296 K CA 2.260 58.705 56.287 0.264 0.000 0.931 296 K CB -1.154 31.441 32.500 0.158 0.000 0.715 296 K HN 0.341 nan 8.250 nan 0.000 0.446 297 L N 0.693 121.962 121.223 0.077 0.000 1.971 297 L HA -0.248 4.091 4.340 -0.001 0.000 0.215 297 L C 2.765 179.654 176.870 0.031 0.000 1.072 297 L CA 1.426 56.317 54.840 0.086 0.000 0.758 297 L CB -0.907 41.221 42.059 0.115 0.000 0.889 297 L HN 0.250 nan 8.230 nan 0.000 0.433 298 A N 0.143 122.932 122.820 -0.052 0.000 1.903 298 A HA -0.312 4.007 4.320 -0.001 0.000 0.219 298 A C 2.521 179.967 177.584 -0.230 0.000 1.191 298 A CA 2.449 54.400 52.037 -0.144 0.000 0.638 298 A CB -0.917 17.895 19.000 -0.314 0.000 0.823 298 A HN 0.483 nan 8.150 nan 0.000 0.451 299 A N -0.756 121.853 122.820 -0.351 0.000 1.877 299 A HA -0.116 4.203 4.320 -0.001 0.000 0.216 299 A C 2.265 179.654 177.584 -0.325 0.000 1.186 299 A CA 1.920 53.629 52.037 -0.547 0.000 0.620 299 A CB -0.597 18.147 19.000 -0.427 0.000 0.822 299 A HN 0.561 nan 8.150 nan 0.000 0.443 300 M N -0.662 118.802 119.600 -0.227 0.000 2.082 300 M HA -0.225 4.254 4.480 -0.001 0.000 0.258 300 M C 2.111 178.257 176.300 -0.256 0.000 1.069 300 M CA 2.095 57.269 55.300 -0.211 0.000 1.102 300 M CB -0.707 31.730 32.600 -0.273 0.000 1.336 300 M HN 0.622 nan 8.290 nan 0.000 0.404 301 N N -0.192 118.336 118.700 -0.287 0.000 2.104 301 N HA -0.165 4.574 4.740 -0.001 0.000 0.190 301 N C 1.741 177.120 175.510 -0.218 0.000 1.024 301 N CA 1.129 53.974 53.050 -0.342 0.000 0.853 301 N CB 0.174 38.640 38.487 -0.034 0.000 1.008 301 N HN 0.198 nan 8.380 nan 0.000 0.424 302 M N 0.359 119.844 119.600 -0.192 0.000 2.067 302 M HA -0.102 4.378 4.480 -0.001 0.000 0.260 302 M C 2.234 178.519 176.300 -0.025 0.000 1.069 302 M CA 0.951 56.179 55.300 -0.121 0.000 1.117 302 M CB -1.193 31.197 32.600 -0.349 0.000 1.334 302 M HN 0.031 nan 8.290 nan 0.000 0.407 303 V N 0.616 120.531 119.914 0.003 0.000 2.324 303 V HA -0.280 3.839 4.120 -0.001 0.000 0.250 303 V C 2.455 178.478 176.094 -0.119 0.000 1.060 303 V CA 1.707 64.066 62.300 0.098 0.000 1.042 303 V CB -0.656 31.246 31.823 0.131 0.000 0.650 303 V HN 0.352 nan 8.190 nan 0.000 0.450 304 I N -0.717 119.627 120.570 -0.376 0.000 2.226 304 I HA -0.179 3.991 4.170 -0.001 0.000 0.245 304 I C 2.287 178.044 176.117 -0.599 0.000 1.100 304 I CA 1.409 62.173 61.300 -0.892 0.000 1.374 304 I CB -0.238 37.278 38.000 -0.806 0.000 1.057 304 I HN 0.154 nan 8.210 nan 0.000 0.413 305 R N 1.006 121.361 120.500 -0.241 0.000 2.356 305 R HA 0.188 4.527 4.340 -0.001 0.000 0.234 305 R C 0.714 177.032 176.300 0.030 0.000 0.929 305 R CA 0.552 56.616 56.100 -0.059 0.000 1.084 305 R CB -0.178 30.120 30.300 -0.003 0.000 1.105 305 R HN 0.418 nan 8.270 nan 0.000 0.515 306 G N 2.303 111.131 108.800 0.047 0.000 2.372 306 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.297 306 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.297 306 G C -0.016 174.949 174.900 0.108 0.000 1.005 306 G CA 0.095 45.268 45.100 0.122 0.000 1.173 306 G HN 0.340 nan 8.290 nan 0.000 0.511 307 I N 0.720 121.362 120.570 0.119 0.000 2.420 307 I HA 0.213 4.382 4.170 -0.001 0.000 0.282 307 I C -0.442 175.770 176.117 0.158 0.000 1.019 307 I CA -1.171 60.192 61.300 0.105 0.000 1.130 307 I CB 1.188 39.243 38.000 0.091 0.000 1.262 307 I HN -0.057 nan 8.210 nan 0.000 0.454 308 D N 7.025 127.447 120.400 0.036 0.000 2.472 308 D HA 0.292 4.931 4.640 -0.001 0.000 0.237 308 D C -0.539 175.634 176.300 -0.212 0.000 1.141 308 D CA 0.984 54.904 54.000 -0.133 0.000 0.875 308 D CB 0.445 41.140 40.800 -0.174 0.000 1.192 308 D HN 0.363 nan 8.370 nan 0.000 0.450 309 F N -1.016 118.660 119.950 -0.456 0.000 2.654 309 F HA 0.430 4.956 4.527 -0.001 0.000 0.308 309 F C -0.907 174.445 175.800 -0.747 0.000 1.108 309 F CA -1.339 56.204 58.000 -0.763 0.000 0.957 309 F CB 1.298 39.546 39.000 -1.253 0.000 1.309 309 F HN 0.007 nan 8.300 nan 0.000 0.446 310 N N 2.167 120.531 118.700 -0.561 0.000 2.626 310 N HA 0.315 5.054 4.740 -0.001 0.000 0.242 310 N C -1.224 174.468 175.510 0.304 0.000 1.005 310 N CA -0.803 52.094 53.050 -0.255 0.000 0.905 310 N CB 0.214 38.461 38.487 -0.401 0.000 1.128 310 N HN 0.607 nan 8.380 nan 0.000 0.512 311 F N 1.509 121.712 119.950 0.422 0.000 2.639 311 F HA 0.450 4.976 4.527 -0.001 0.000 0.300 311 F C 1.640 177.829 175.800 0.648 0.000 1.109 311 F CA -0.340 57.960 58.000 0.501 0.000 1.335 311 F CB -0.426 38.626 39.000 0.087 0.000 1.014 311 F HN 0.569 nan 8.300 nan 0.000 0.537 312 G N 0.829 110.026 108.800 0.662 0.000 2.698 312 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.225 312 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.225 312 G C 0.896 175.982 174.900 0.310 0.000 1.345 312 G CA -0.024 45.282 45.100 0.342 0.000 0.871 312 G HN 0.306 nan 8.290 nan 0.000 0.540 313 K N 0.395 120.876 120.400 0.134 0.000 2.103 313 K HA 0.023 4.342 4.320 -0.001 0.000 0.204 313 K C 1.127 177.694 176.600 -0.055 0.000 1.052 313 K CA 1.931 58.252 56.287 0.057 0.000 0.945 313 K CB -0.227 32.279 32.500 0.010 0.000 0.722 313 K HN 0.877 nan 8.250 nan 0.000 0.443 314 K N 0.019 120.336 120.400 -0.138 0.000 2.617 314 K HA 0.123 4.442 4.320 -0.001 0.000 0.293 314 K C -1.361 174.940 176.600 -0.499 0.000 1.034 314 K CA -1.029 54.977 56.287 -0.468 0.000 0.884 314 K CB 0.154 32.465 32.500 -0.315 0.000 1.541 314 K HN 0.026 nan 8.250 nan 0.000 0.409 315 N N 0.790 119.026 118.700 -0.773 0.000 2.412 315 N HA 0.278 5.017 4.740 -0.001 0.000 0.254 315 N C -0.761 174.685 175.510 -0.107 0.000 1.232 315 N CA 0.254 53.113 53.050 -0.318 0.000 0.880 315 N CB 1.012 39.374 38.487 -0.208 0.000 1.076 315 N HN 0.755 nan 8.380 nan 0.000 0.458 316 A N 0.965 123.792 122.820 0.012 0.000 2.564 316 A HA 0.257 4.576 4.320 -0.001 0.000 0.291 316 A C -1.473 176.139 177.584 0.047 0.000 1.102 316 A CA -0.875 51.170 52.037 0.013 0.000 0.660 316 A CB 1.068 20.063 19.000 -0.008 0.000 1.283 316 A HN 0.731 nan 8.150 nan 0.000 0.430 317 D N 0.568 120.993 120.400 0.041 0.000 2.317 317 D HA 0.311 4.951 4.640 -0.001 0.000 0.252 317 D C 0.822 177.113 176.300 -0.015 0.000 1.174 317 D CA 0.199 54.233 54.000 0.056 0.000 0.866 317 D CB 1.352 42.210 40.800 0.097 0.000 1.127 317 D HN 0.323 nan 8.370 nan 0.000 0.467 318 S N 2.968 118.585 115.700 -0.138 0.000 2.419 318 S HA -0.138 4.332 4.470 -0.001 0.000 0.235 318 S C 1.355 175.670 174.600 -0.476 0.000 1.019 318 S CA 0.942 58.928 58.200 -0.356 0.000 0.982 318 S CB -0.032 62.802 63.200 -0.610 0.000 0.789 318 S HN 0.498 nan 8.310 nan 0.000 0.490 319 F N 1.120 121.024 119.950 -0.077 0.000 2.092 319 F HA 0.210 4.736 4.527 -0.001 0.000 0.286 319 F C 2.007 177.828 175.800 0.035 0.000 1.116 319 F CA 0.452 58.463 58.000 0.017 0.000 1.185 319 F CB -0.962 38.120 39.000 0.136 0.000 1.034 319 F HN 0.038 nan 8.300 nan 0.000 0.479 320 L N -0.516 120.830 121.223 0.204 0.000 2.131 320 L HA -0.135 4.204 4.340 -0.001 0.000 0.210 320 L C -0.006 176.877 176.870 0.023 0.000 1.092 320 L CA 1.304 56.179 54.840 0.058 0.000 0.759 320 L CB -0.348 41.699 42.059 -0.020 0.000 0.903 320 L HN 0.157 nan 8.230 nan 0.000 0.435 321 D N -0.598 119.820 120.400 0.029 0.000 2.772 321 D HA 0.077 4.716 4.640 -0.001 0.000 0.326 321 D C -0.683 175.628 176.300 0.018 0.000 1.207 321 D CA -0.196 53.811 54.000 0.012 0.000 0.777 321 D CB 0.502 41.300 40.800 -0.003 0.000 1.169 321 D HN -0.017 nan 8.370 nan 0.000 0.506 322 D N 1.274 121.702 120.400 0.047 0.000 2.472 322 D HA -0.047 4.593 4.640 -0.001 0.000 0.248 322 D C 1.161 177.475 176.300 0.023 0.000 1.174 322 D CA 0.442 54.492 54.000 0.083 0.000 0.883 322 D CB 1.067 41.977 40.800 0.182 0.000 1.149 322 D HN 0.020 nan 8.370 nan 0.000 0.488 323 Q N 2.314 122.067 119.800 -0.078 0.000 2.402 323 Q HA -0.012 4.327 4.340 -0.001 0.000 0.206 323 Q C 0.076 175.893 176.000 -0.304 0.000 0.919 323 Q CA 0.731 56.390 55.803 -0.241 0.000 0.923 323 Q CB 0.158 28.655 28.738 -0.402 0.000 1.048 323 Q HN 0.621 nan 8.270 nan 0.000 0.515 324 H N 0.106 119.227 119.070 0.085 0.000 2.336 324 H HA 0.164 4.719 4.556 -0.001 0.000 0.230 324 H C -1.660 173.710 175.328 0.070 0.000 1.426 324 H CA -1.522 54.534 56.048 0.012 0.000 1.359 324 H CB 0.891 30.562 29.762 -0.152 0.000 1.555 324 H HN 0.018 nan 8.280 nan 0.000 0.512 325 P HA -0.097 nan 4.420 nan 0.000 0.226 325 P C 0.440 177.845 177.300 0.175 0.000 1.153 325 P CA 1.031 64.281 63.100 0.250 0.000 0.777 325 P CB 0.608 32.393 31.700 0.142 0.000 0.794 326 D N -1.280 119.170 120.400 0.083 0.000 2.398 326 D HA 0.092 4.731 4.640 -0.001 0.000 0.210 326 D C 0.188 176.427 176.300 -0.101 0.000 1.094 326 D CA -0.279 53.701 54.000 -0.033 0.000 0.839 326 D CB -0.236 40.548 40.800 -0.026 0.000 0.963 326 D HN -0.001 nan 8.370 nan 0.000 0.506 327 L N 1.400 122.585 121.223 -0.063 0.000 2.433 327 L HA 0.287 4.626 4.340 -0.001 0.000 0.275 327 L C -0.310 176.457 176.870 -0.171 0.000 1.128 327 L CA 0.241 54.938 54.840 -0.239 0.000 0.875 327 L CB 0.322 42.073 42.059 -0.514 0.000 1.171 327 L HN -0.226 nan 8.230 nan 0.000 0.463 328 R N 4.681 125.043 120.500 -0.231 0.000 2.332 328 R HA 0.638 4.977 4.340 -0.001 0.000 0.306 328 R C -0.272 175.925 176.300 -0.172 0.000 1.117 328 R CA -0.049 55.933 56.100 -0.197 0.000 1.108 328 R CB 1.000 31.185 30.300 -0.192 0.000 1.126 328 R HN 0.863 nan 8.270 nan 0.000 0.548 329 A N 1.246 123.991 122.820 -0.124 0.000 2.257 329 A HA 0.207 4.527 4.320 -0.001 0.000 0.289 329 A C 0.272 177.820 177.584 -0.060 0.000 1.095 329 A CA -0.455 51.541 52.037 -0.069 0.000 0.836 329 A CB 0.542 19.577 19.000 0.058 0.000 1.111 329 A HN 0.673 nan 8.150 nan 0.000 0.497 330 D N -0.808 119.563 120.400 -0.049 0.000 2.262 330 D HA 0.136 4.776 4.640 -0.001 0.000 0.212 330 D C -0.687 175.280 176.300 -0.555 0.000 0.964 330 D CA 1.366 55.196 54.000 -0.282 0.000 0.875 330 D CB 0.171 40.819 40.800 -0.254 0.000 0.996 330 D HN 0.455 nan 8.370 nan 0.000 0.497 331 F N 0.685 120.666 119.950 0.052 0.000 2.518 331 F HA 0.371 4.897 4.527 -0.001 0.000 0.323 331 F C -0.229 175.592 175.800 0.036 0.000 1.129 331 F CA -1.027 56.986 58.000 0.021 0.000 0.920 331 F CB 2.084 41.095 39.000 0.018 0.000 1.160 331 F HN -0.419 nan 8.300 nan 0.000 0.440 332 V N 4.766 124.740 119.914 0.100 0.000 2.604 332 V HA 0.709 4.828 4.120 -0.001 0.000 0.305 332 V C -0.284 175.704 176.094 -0.177 0.000 1.043 332 V CA -0.820 61.480 62.300 -0.000 0.000 0.888 332 V CB 1.851 33.679 31.823 0.007 0.000 0.995 332 V HN 0.794 nan 8.190 nan 0.000 0.429 333 M N 2.424 121.822 119.600 -0.337 0.000 2.365 333 M HA 0.829 5.308 4.480 -0.001 0.000 0.287 333 M C -1.007 174.731 176.300 -0.936 0.000 1.154 333 M CA -0.297 54.632 55.300 -0.618 0.000 0.941 333 M CB 2.402 34.620 32.600 -0.636 0.000 1.704 333 M HN 0.531 nan 8.290 nan 0.000 0.479 334 T N 0.914 114.880 114.554 -0.981 0.000 2.792 334 T HA 0.514 4.863 4.350 -0.001 0.000 0.303 334 T C -2.027 172.303 174.700 -0.616 0.000 1.310 334 T CA -0.548 61.004 62.100 -0.914 0.000 1.007 334 T CB 2.011 70.490 68.868 -0.649 0.000 1.335 334 T HN 0.849 nan 8.240 nan 0.000 0.504 335 N N 2.595 121.086 118.700 -0.349 0.000 2.664 335 N HA 0.457 5.197 4.740 -0.001 0.000 0.257 335 N C -2.798 172.488 175.510 -0.374 0.000 1.108 335 N CA -1.798 51.133 53.050 -0.199 0.000 0.822 335 N CB 1.612 40.060 38.487 -0.065 0.000 1.199 335 N HN 0.278 nan 8.380 nan 0.000 0.529 336 P HA 0.344 nan 4.420 nan 0.000 0.274 336 P C -2.775 174.296 177.300 -0.381 0.000 1.246 336 P CA -1.321 61.328 63.100 -0.752 0.000 0.795 336 P CB -0.162 30.744 31.700 -1.323 0.000 1.006 337 P HA 0.067 nan 4.420 nan 0.000 0.265 337 P C -0.285 177.082 177.300 0.112 0.000 1.193 337 P CA 0.572 63.588 63.100 -0.140 0.000 0.765 337 P CB -0.098 31.571 31.700 -0.052 0.000 0.823 338 F N 2.476 122.399 119.950 -0.045 0.000 2.429 338 F HA 0.124 4.650 4.527 -0.002 0.000 0.348 338 F C 1.369 177.200 175.800 0.052 0.000 1.109 338 F CA -0.417 57.581 58.000 -0.004 0.000 1.232 338 F CB -0.685 38.315 39.000 -0.000 0.000 1.157 338 F HN 0.394 nan 8.300 nan 0.000 0.564 339 N N 0.557 119.406 118.700 0.250 0.000 2.735 339 N HA -0.279 4.460 4.740 -0.001 0.000 0.248 339 N C -0.232 175.391 175.510 0.189 0.000 1.083 339 N CA 0.432 53.589 53.050 0.178 0.000 0.703 339 N CB -1.721 36.859 38.487 0.156 0.000 1.005 339 N HN 0.645 nan 8.380 nan 0.000 0.550 340 M N 0.587 120.317 119.600 0.217 0.000 2.356 340 M HA -0.023 4.456 4.480 -0.001 0.000 0.348 340 M C 0.828 177.305 176.300 0.295 0.000 1.595 340 M CA 0.833 56.279 55.300 0.244 0.000 1.095 340 M CB 0.348 33.117 32.600 0.283 0.000 1.963 340 M HN 0.068 nan 8.290 nan 0.000 0.459 341 K N 2.292 122.852 120.400 0.267 0.000 2.419 341 K HA 0.391 4.710 4.320 -0.001 0.000 0.246 341 K C 0.288 177.052 176.600 0.273 0.000 1.037 341 K CA -1.054 55.394 56.287 0.270 0.000 0.982 341 K CB 0.588 33.169 32.500 0.135 0.000 1.283 341 K HN 0.605 nan 8.250 nan 0.000 0.500 342 D N -0.723 119.741 120.400 0.106 0.000 2.978 342 D HA -0.170 4.469 4.640 -0.001 0.000 0.205 342 D C 0.937 177.236 176.300 -0.002 0.000 1.093 342 D CA 1.440 55.448 54.000 0.013 0.000 1.006 342 D CB -0.667 40.168 40.800 0.058 0.000 1.116 342 D HN 0.874 nan 8.370 nan 0.000 0.419 343 W N 0.464 121.752 121.300 -0.021 0.000 2.519 343 W HA -0.004 4.656 4.660 -0.000 0.000 0.266 343 W C 1.008 177.461 176.519 -0.109 0.000 1.253 343 W CA -0.181 57.150 57.345 -0.023 0.000 1.274 343 W CB -1.100 28.314 29.460 -0.075 0.000 1.114 343 W HN 0.119 nan 8.180 nan 0.000 0.596 344 W N 3.918 124.460 121.300 -1.264 0.000 2.193 344 W HA 0.126 4.784 4.660 -0.002 0.000 0.338 344 W C -0.580 175.398 176.519 -0.902 0.000 1.310 344 W CA 0.919 57.505 57.345 -1.265 0.000 1.243 344 W CB 0.267 29.032 29.460 -1.158 0.000 1.165 344 W HN -0.081 nan 8.180 nan 0.000 0.566 345 H N 3.680 121.967 119.070 -1.305 0.000 2.961 345 H HA 0.048 4.603 4.556 -0.001 0.000 0.371 345 H C 0.878 175.448 175.328 -1.264 0.000 1.190 345 H CA -0.683 54.806 56.048 -0.932 0.000 1.138 345 H CB 2.023 31.507 29.762 -0.464 0.000 1.816 345 H HN 0.406 nan 8.280 nan 0.000 0.551 346 E N 0.952 120.872 120.200 -0.466 0.000 2.204 346 E HA -0.097 4.252 4.350 -0.001 0.000 0.195 346 E C 1.116 177.588 176.600 -0.214 0.000 0.990 346 E CA 0.737 57.004 56.400 -0.222 0.000 0.821 346 E CB 0.244 29.923 29.700 -0.035 0.000 0.750 346 E HN 0.314 nan 8.360 nan 0.000 0.477 347 K N 0.363 120.627 120.400 -0.227 0.000 2.555 347 K HA 0.036 4.355 4.320 -0.001 0.000 0.193 347 K C 1.461 177.951 176.600 -0.183 0.000 1.032 347 K CA 0.206 56.398 56.287 -0.158 0.000 1.004 347 K CB -0.059 32.365 32.500 -0.127 0.000 0.804 347 K HN 0.198 nan 8.250 nan 0.000 0.496 348 L N 0.324 121.322 121.223 -0.375 0.000 2.700 348 L HA 0.215 4.554 4.340 -0.001 0.000 0.234 348 L C 0.452 177.398 176.870 0.127 0.000 1.156 348 L CA -0.415 54.272 54.840 -0.256 0.000 0.946 348 L CB 0.267 42.021 42.059 -0.508 0.000 1.216 348 L HN -0.123 nan 8.230 nan 0.000 0.493 349 A N -0.336 122.576 122.820 0.153 0.000 2.354 349 A HA 0.339 4.658 4.320 -0.001 0.000 0.269 349 A C 0.475 178.246 177.584 0.311 0.000 1.109 349 A CA -0.019 52.286 52.037 0.448 0.000 0.800 349 A CB 0.124 19.325 19.000 0.334 0.000 1.045 349 A HN 0.580 nan 8.150 nan 0.000 0.489 350 D N -0.212 120.423 120.400 0.392 0.000 3.077 350 D HA -0.157 4.482 4.640 -0.001 0.000 0.217 350 D C -0.047 176.256 176.300 0.006 0.000 1.162 350 D CA 1.500 55.625 54.000 0.207 0.000 0.943 350 D CB -1.158 39.713 40.800 0.119 0.000 1.122 350 D HN 0.759 nan 8.370 nan 0.000 0.413 351 D N 0.056 120.363 120.400 -0.156 0.000 2.531 351 D HA -0.038 4.601 4.640 -0.001 0.000 0.239 351 D C -1.179 174.690 176.300 -0.718 0.000 1.144 351 D CA -1.074 52.569 54.000 -0.596 0.000 0.869 351 D CB 1.046 41.234 40.800 -1.021 0.000 1.160 351 D HN 0.030 nan 8.370 nan 0.000 0.484 352 P HA -0.141 nan 4.420 nan 0.000 0.217 352 P C 1.127 178.162 177.300 -0.442 0.000 1.148 352 P CA 0.980 63.886 63.100 -0.325 0.000 0.828 352 P CB 0.151 31.736 31.700 -0.192 0.000 0.783 353 R N -1.236 118.715 120.500 -0.916 0.000 2.185 353 R HA -0.163 4.176 4.340 -0.001 0.000 0.247 353 R C 1.974 178.216 176.300 -0.097 0.000 1.159 353 R CA 1.740 57.406 56.100 -0.724 0.000 0.988 353 R CB -0.744 29.008 30.300 -0.913 0.000 0.871 353 R HN 0.437 nan 8.270 nan 0.000 0.458 354 W N -0.423 120.889 121.300 0.020 0.000 3.003 354 W HA 0.104 4.764 4.660 -0.001 0.000 0.257 354 W C 0.411 176.961 176.519 0.052 0.000 1.308 354 W CA -0.684 56.698 57.345 0.062 0.000 1.529 354 W CB 0.141 29.650 29.460 0.082 0.000 1.115 354 W HN -0.198 nan 8.180 nan 0.000 0.659 355 T N 2.972 117.640 114.554 0.191 0.000 2.856 355 T HA 0.261 4.610 4.350 -0.001 0.000 0.292 355 T C -0.166 174.609 174.700 0.126 0.000 0.980 355 T CA -0.094 62.087 62.100 0.135 0.000 1.091 355 T CB 1.394 70.312 68.868 0.083 0.000 0.936 355 T HN -0.303 nan 8.240 nan 0.000 0.503 356 I N 4.326 124.960 120.570 0.106 0.000 2.390 356 I HA 0.263 4.433 4.170 -0.001 0.000 0.283 356 I C 0.015 176.170 176.117 0.063 0.000 1.016 356 I CA -1.148 60.206 61.300 0.090 0.000 1.151 356 I CB 0.698 38.751 38.000 0.088 0.000 1.293 356 I HN 0.681 nan 8.210 nan 0.000 0.458 357 N N 4.247 122.980 118.700 0.054 0.000 3.301 357 N HA 0.503 5.243 4.740 -0.001 0.000 0.289 357 N C 0.057 175.583 175.510 0.027 0.000 1.343 357 N CA -0.403 52.669 53.050 0.036 0.000 1.136 357 N CB 0.643 39.146 38.487 0.027 0.000 1.402 357 N HN 0.686 nan 8.380 nan 0.000 0.516 363 R N 1.462 121.987 120.500 0.043 0.000 2.235 363 R HA 0.756 5.096 4.340 -0.001 0.000 0.338 363 R C 0.115 176.449 176.300 0.056 0.000 1.087 363 R CA -0.256 55.869 56.100 0.041 0.000 0.948 363 R CB -0.695 29.624 30.300 0.032 0.000 1.099 363 R HN 0.609 nan 8.270 nan 0.000 0.483 364 I N 1.991 122.598 120.570 0.060 0.000 2.588 364 I HA 0.194 4.364 4.170 -0.001 0.000 0.283 364 I C 0.058 176.216 176.117 0.067 0.000 1.119 364 I CA -0.113 61.238 61.300 0.084 0.000 1.419 364 I CB 1.392 39.443 38.000 0.085 0.000 1.394 364 I HN 0.314 nan 8.210 nan 0.000 0.562 365 L N 4.562 125.839 121.223 0.090 0.000 2.330 365 L HA 0.430 4.769 4.340 -0.001 0.000 0.271 365 L C 0.331 177.202 176.870 0.002 0.000 1.013 365 L CA -0.707 54.152 54.840 0.033 0.000 0.816 365 L CB 1.698 43.776 42.059 0.032 0.000 1.287 365 L HN 0.637 nan 8.230 nan 0.000 0.435 366 T N 3.637 118.143 114.554 -0.080 0.000 2.794 366 T HA 0.307 4.657 4.350 -0.001 0.000 0.296 366 T C -2.236 172.287 174.700 -0.296 0.000 0.949 366 T CA -0.565 61.431 62.100 -0.173 0.000 1.101 366 T CB 0.913 69.673 68.868 -0.180 0.000 0.905 366 T HN 0.534 nan 8.240 nan 0.000 0.516 367 P HA 0.229 nan 4.420 nan 0.000 0.273 367 P C -2.773 174.230 177.300 -0.494 0.000 1.250 367 P CA -1.685 61.019 63.100 -0.659 0.000 0.793 367 P CB -0.227 30.742 31.700 -1.217 0.000 1.011 368 P HA 0.091 nan 4.420 nan 0.000 0.245 368 P C 0.821 178.039 177.300 -0.136 0.000 1.740 368 P CA -0.142 62.831 63.100 -0.211 0.000 1.125 368 P CB -0.485 31.150 31.700 -0.109 0.000 1.747 369 T N -0.611 113.644 114.554 -0.499 0.000 3.228 369 T HA 0.063 4.412 4.350 -0.001 0.000 0.261 369 T C 1.357 175.777 174.700 -0.467 0.000 1.171 369 T CA 1.151 62.751 62.100 -0.832 0.000 1.056 369 T CB -0.460 67.517 68.868 -1.486 0.000 0.938 369 T HN 0.330 nan 8.240 nan 0.000 0.539 370 G N 0.518 109.253 108.800 -0.109 0.000 2.633 370 G HA2 0.167 4.127 3.960 -0.001 0.000 0.198 370 G HA3 0.167 4.127 3.960 -0.001 0.000 0.198 370 G C 0.229 175.246 174.900 0.196 0.000 1.198 370 G CA -0.453 44.656 45.100 0.016 0.000 0.685 370 G HN 0.468 nan 8.290 nan 0.000 0.868 371 N N 1.288 120.089 118.700 0.169 0.000 2.469 371 N HA 0.466 5.205 4.740 -0.001 0.000 0.253 371 N C 0.845 176.442 175.510 0.145 0.000 0.970 371 N CA 0.045 53.192 53.050 0.163 0.000 0.940 371 N CB 1.708 40.251 38.487 0.093 0.000 1.128 371 N HN 0.066 nan 8.380 nan 0.000 0.503 372 A N 3.799 126.623 122.820 0.008 0.000 2.235 372 A HA -0.021 4.298 4.320 -0.001 0.000 0.208 372 A C 1.615 179.114 177.584 -0.142 0.000 1.172 372 A CA 0.107 51.830 52.037 -0.524 0.000 0.786 372 A CB -0.250 18.071 19.000 -1.132 0.000 0.804 372 A HN 0.683 nan 8.150 nan 0.000 0.479 373 N N 0.247 118.992 118.700 0.076 0.000 2.037 373 N HA -0.204 4.535 4.740 -0.001 0.000 0.196 373 N C 1.047 176.504 175.510 -0.089 0.000 1.034 373 N CA 1.869 54.948 53.050 0.047 0.000 0.861 373 N CB -0.549 37.940 38.487 0.004 0.000 1.039 373 N HN 0.648 nan 8.380 nan 0.000 0.427 374 F N 0.360 120.208 119.950 -0.169 0.000 2.569 374 F HA 0.246 4.772 4.527 -0.001 0.000 0.295 374 F C 2.205 177.934 175.800 -0.119 0.000 1.115 374 F CA 0.196 58.087 58.000 -0.182 0.000 1.450 374 F CB -0.124 38.763 39.000 -0.189 0.000 1.107 374 F HN -0.013 nan 8.300 nan 0.000 0.563 375 A N 0.227 122.996 122.820 -0.085 0.000 1.883 375 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 375 A C 1.868 179.497 177.584 0.075 0.000 1.186 375 A CA 1.666 53.569 52.037 -0.222 0.000 0.624 375 A CB -1.355 16.925 19.000 -1.200 0.000 0.822 375 A HN 0.561 nan 8.150 nan 0.000 0.444 376 W N -0.785 120.542 121.300 0.046 0.000 2.335 376 W HA -0.161 4.498 4.660 -0.001 0.000 0.311 376 W C 2.599 179.125 176.519 0.012 0.000 1.213 376 W CA 1.445 58.806 57.345 0.026 0.000 1.274 376 W CB -0.348 29.035 29.460 -0.128 0.000 1.148 376 W HN 0.274 nan 8.180 nan 0.000 0.498 377 M N -0.237 119.414 119.600 0.084 0.000 2.159 377 M HA -0.176 4.303 4.480 -0.001 0.000 0.263 377 M C 1.766 178.117 176.300 0.085 0.000 1.063 377 M CA 1.631 56.889 55.300 -0.069 0.000 1.110 377 M CB -0.322 32.022 32.600 -0.427 0.000 1.374 377 M HN 0.076 nan 8.290 nan 0.000 0.411 378 L N -1.712 119.632 121.223 0.202 0.000 2.179 378 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 378 L C 2.386 179.469 176.870 0.356 0.000 1.096 378 L CA 0.941 55.956 54.840 0.292 0.000 0.779 378 L CB -0.845 41.455 42.059 0.401 0.000 0.922 378 L HN 0.379 nan 8.230 nan 0.000 0.443 379 H N 0.575 119.834 119.070 0.316 0.000 2.293 379 H HA -0.179 4.377 4.556 -0.001 0.000 0.300 379 H C 2.336 177.905 175.328 0.402 0.000 1.082 379 H CA 1.984 58.232 56.048 0.333 0.000 1.308 379 H CB -0.006 29.908 29.762 0.255 0.000 1.375 379 H HN 0.092 nan 8.280 nan 0.000 0.495 380 M N -0.134 119.686 119.600 0.366 0.000 2.106 380 M HA -0.189 4.290 4.480 -0.001 0.000 0.259 380 M C 2.406 178.808 176.300 0.170 0.000 1.068 380 M CA 1.569 57.007 55.300 0.230 0.000 1.100 380 M CB -0.262 32.401 32.600 0.105 0.000 1.351 380 M HN 0.329 nan 8.290 nan 0.000 0.404 381 L N -1.428 119.883 121.223 0.146 0.000 2.044 381 L HA -0.199 4.140 4.340 -0.001 0.000 0.205 381 L C 2.598 179.516 176.870 0.079 0.000 1.075 381 L CA 1.190 56.088 54.840 0.095 0.000 0.747 381 L CB -0.563 41.557 42.059 0.100 0.000 0.903 381 L HN 0.253 nan 8.230 nan 0.000 0.435 382 Y N -0.309 119.968 120.300 -0.038 0.000 2.298 382 Y HA -0.283 4.266 4.550 -0.001 0.000 0.287 382 Y C 2.107 177.821 175.900 -0.310 0.000 1.164 382 Y CA 1.598 59.597 58.100 -0.169 0.000 1.229 382 Y CB -0.150 38.184 38.460 -0.211 0.000 0.977 382 Y HN 0.251 nan 8.280 nan 0.000 0.538 383 H N -0.523 118.510 119.070 -0.061 0.000 2.520 383 H HA 0.178 4.733 4.556 -0.001 0.000 0.284 383 H C -0.426 174.854 175.328 -0.080 0.000 1.037 383 H CA -0.214 55.757 56.048 -0.127 0.000 1.168 383 H CB 0.231 30.011 29.762 0.029 0.000 1.497 383 H HN 0.140 nan 8.280 nan 0.000 0.547 384 L N 1.633 122.849 121.223 -0.011 0.000 2.305 384 L HA 0.415 4.755 4.340 -0.001 0.000 0.281 384 L C 0.315 177.121 176.870 -0.106 0.000 1.085 384 L CA -0.503 54.313 54.840 -0.039 0.000 0.813 384 L CB 0.770 42.811 42.059 -0.029 0.000 1.157 384 L HN 0.064 nan 8.230 nan 0.000 0.436 385 A N 6.434 129.189 122.820 -0.109 0.000 2.445 385 A HA 0.371 4.690 4.320 -0.001 0.000 0.242 385 A C -1.615 175.911 177.584 -0.096 0.000 1.075 385 A CA -0.750 51.217 52.037 -0.116 0.000 0.777 385 A CB -0.457 18.475 19.000 -0.113 0.000 1.013 385 A HN 0.796 nan 8.150 nan 0.000 0.493 386 P HA -0.145 nan 4.420 nan 0.000 0.218 386 P C 1.186 178.456 177.300 -0.049 0.000 1.146 386 P CA 2.172 65.237 63.100 -0.059 0.000 0.813 386 P CB 0.036 31.705 31.700 -0.053 0.000 0.778 387 T N -4.477 110.038 114.554 -0.065 0.000 3.037 387 T HA 0.252 4.602 4.350 -0.001 0.000 0.251 387 T C 1.206 175.845 174.700 -0.102 0.000 1.079 387 T CA 0.187 62.248 62.100 -0.064 0.000 1.067 387 T CB -0.396 68.435 68.868 -0.063 0.000 0.948 387 T HN 0.044 nan 8.240 nan 0.000 0.496 388 G N 0.943 109.660 108.800 -0.138 0.000 2.557 388 G HA2 0.561 4.521 3.960 -0.001 0.000 0.292 388 G HA3 0.561 4.521 3.960 -0.001 0.000 0.292 388 G C -0.696 174.093 174.900 -0.185 0.000 1.237 388 G CA -0.548 44.407 45.100 -0.243 0.000 0.978 388 G HN 0.345 nan 8.290 nan 0.000 0.498 389 S N -1.024 114.517 115.700 -0.265 0.000 2.704 389 S HA 0.775 5.244 4.470 -0.001 0.000 0.296 389 S C -0.201 174.286 174.600 -0.189 0.000 1.138 389 S CA -0.650 57.465 58.200 -0.142 0.000 0.875 389 S CB 1.843 65.062 63.200 0.032 0.000 1.151 389 S HN 0.944 nan 8.310 nan 0.000 0.500 390 M N -0.291 119.121 119.600 -0.314 0.000 2.755 390 M HA 0.967 5.446 4.480 -0.001 0.000 0.273 390 M C -1.801 174.141 176.300 -0.598 0.000 1.278 390 M CA -1.102 54.004 55.300 -0.323 0.000 0.819 390 M CB 1.820 34.309 32.600 -0.184 0.000 1.694 390 M HN 0.791 nan 8.290 nan 0.000 0.460 391 A N 1.564 124.125 122.820 -0.431 0.000 2.604 391 A HA 0.881 5.200 4.320 -0.001 0.000 0.295 391 A C -1.762 175.657 177.584 -0.275 0.000 1.067 391 A CA -0.755 51.051 52.037 -0.385 0.000 0.683 391 A CB 1.875 20.642 19.000 -0.388 0.000 1.281 391 A HN 1.471 nan 8.150 nan 0.000 0.407 392 L N -0.452 120.669 121.223 -0.170 0.000 2.540 392 L HA 0.939 5.278 4.340 -0.001 0.000 0.256 392 L C -1.848 174.997 176.870 -0.042 0.000 1.001 392 L CA -0.993 53.737 54.840 -0.183 0.000 0.843 392 L CB 1.807 43.712 42.059 -0.256 0.000 1.436 392 L HN 0.752 nan 8.230 nan 0.000 0.410 393 L N 2.446 123.660 121.223 -0.014 0.000 2.275 393 L HA 0.690 5.029 4.340 -0.001 0.000 0.288 393 L C -1.209 175.729 176.870 0.113 0.000 1.046 393 L CA -0.003 54.910 54.840 0.122 0.000 0.805 393 L CB 1.200 43.366 42.059 0.178 0.000 1.193 393 L HN 0.616 nan 8.230 nan 0.000 0.426 394 L N 4.306 125.514 121.223 -0.025 0.000 2.409 394 L HA 0.675 5.015 4.340 -0.001 0.000 0.262 394 L C -0.022 176.428 176.870 -0.701 0.000 0.992 394 L CA -1.127 53.403 54.840 -0.517 0.000 0.817 394 L CB 2.073 43.886 42.059 -0.410 0.000 1.350 394 L HN 0.755 nan 8.230 nan 0.000 0.411 395 A N 1.746 123.689 122.820 -1.461 0.000 2.565 395 A HA 0.002 4.321 4.320 -0.001 0.000 0.237 395 A C 1.062 178.534 177.584 -0.187 0.000 1.053 395 A CA -0.004 51.617 52.037 -0.694 0.000 0.755 395 A CB -0.057 18.639 19.000 -0.506 0.000 0.980 395 A HN 0.902 nan 8.150 nan 0.000 0.506 396 N N 2.557 121.240 118.700 -0.029 0.000 2.073 396 N HA -0.250 4.489 4.740 -0.001 0.000 0.199 396 N C 1.977 177.529 175.510 0.069 0.000 1.023 396 N CA 2.178 55.252 53.050 0.039 0.000 0.880 396 N CB -0.823 37.692 38.487 0.047 0.000 1.052 396 N HN 0.900 nan 8.380 nan 0.000 0.449 397 G N 0.710 109.543 108.800 0.054 0.000 2.597 397 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.222 397 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.222 397 G C 1.672 176.662 174.900 0.151 0.000 1.135 397 G CA 2.180 47.328 45.100 0.080 0.000 0.759 397 G HN 0.571 nan 8.290 nan 0.000 0.595 398 S N 0.114 115.943 115.700 0.216 0.000 2.420 398 S HA -0.111 4.359 4.470 -0.001 0.000 0.237 398 S C 2.305 177.256 174.600 0.586 0.000 1.023 398 S CA 1.723 60.197 58.200 0.458 0.000 0.991 398 S CB -0.372 63.097 63.200 0.448 0.000 0.792 398 S HN 0.420 nan 8.310 nan 0.000 0.488 399 M N 1.509 121.343 119.600 0.390 0.000 2.374 399 M HA -0.022 4.458 4.480 -0.001 0.000 0.264 399 M C 2.206 178.632 176.300 0.211 0.000 1.067 399 M CA 1.503 56.957 55.300 0.257 0.000 1.103 399 M CB -0.292 32.354 32.600 0.076 0.000 1.402 399 M HN 0.749 nan 8.290 nan 0.000 0.444 400 S N -2.916 112.890 115.700 0.176 0.000 2.691 400 S HA 0.133 4.603 4.470 -0.001 0.000 0.258 400 S C 0.807 175.462 174.600 0.091 0.000 1.078 400 S CA -0.479 57.793 58.200 0.120 0.000 1.000 400 S CB 0.027 63.269 63.200 0.071 0.000 0.942 400 S HN 0.195 nan 8.310 nan 0.000 0.521 401 S N 2.239 117.991 115.700 0.086 0.000 2.571 401 S HA 0.145 4.614 4.470 -0.001 0.000 0.298 401 S C 0.436 175.034 174.600 -0.003 0.000 1.280 401 S CA 0.073 58.295 58.200 0.037 0.000 1.052 401 S CB -0.050 63.171 63.200 0.034 0.000 0.799 401 S HN 0.522 nan 8.310 nan 0.000 0.501 402 N N 1.766 120.455 118.700 -0.018 0.000 2.235 402 N HA 0.093 4.832 4.740 -0.001 0.000 0.231 402 N C 0.032 175.505 175.510 -0.061 0.000 1.177 402 N CA 0.029 53.055 53.050 -0.039 0.000 0.874 402 N CB 0.782 39.258 38.487 -0.018 0.000 1.097 402 N HN 0.765 nan 8.380 nan 0.000 0.518 403 T N -1.555 112.960 114.554 -0.065 0.000 2.847 403 T HA 0.221 4.570 4.350 -0.001 0.000 0.279 403 T C 0.480 175.110 174.700 -0.116 0.000 0.984 403 T CA -0.410 61.645 62.100 -0.074 0.000 0.988 403 T CB 0.694 69.533 68.868 -0.049 0.000 1.040 403 T HN 0.190 nan 8.240 nan 0.000 0.528 404 N N 1.312 119.940 118.700 -0.120 0.000 2.707 404 N HA -0.255 4.484 4.740 -0.001 0.000 0.253 404 N C 0.322 175.707 175.510 -0.209 0.000 0.998 404 N CA 0.702 53.658 53.050 -0.156 0.000 0.751 404 N CB -1.586 36.826 38.487 -0.125 0.000 0.920 404 N HN 0.873 nan 8.380 nan 0.000 0.539 405 N N -1.126 117.460 118.700 -0.190 0.000 2.678 405 N HA -0.258 4.481 4.740 -0.001 0.000 0.250 405 N C 0.430 175.780 175.510 -0.266 0.000 1.136 405 N CA 1.857 54.787 53.050 -0.200 0.000 0.757 405 N CB -0.704 37.661 38.487 -0.203 0.000 1.135 405 N HN 0.768 nan 8.380 nan 0.000 0.565 406 E N -1.201 118.796 120.200 -0.338 0.000 2.150 406 E HA -0.022 4.327 4.350 -0.001 0.000 0.193 406 E C 2.032 178.444 176.600 -0.314 0.000 0.985 406 E CA 1.022 57.091 56.400 -0.552 0.000 0.814 406 E CB -0.431 28.879 29.700 -0.649 0.000 0.752 406 E HN 0.548 nan 8.360 nan 0.000 0.466 407 G N 1.462 110.168 108.800 -0.156 0.000 2.446 407 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.217 407 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.217 407 G C 1.442 176.317 174.900 -0.042 0.000 1.168 407 G CA 0.627 45.700 45.100 -0.046 0.000 0.771 407 G HN 0.122 nan 8.290 nan 0.000 0.551 408 E N 0.228 120.377 120.200 -0.085 0.000 2.107 408 E HA 0.008 4.358 4.350 -0.001 0.000 0.191 408 E C 2.618 179.161 176.600 -0.096 0.000 0.982 408 E CA 0.353 56.706 56.400 -0.079 0.000 0.809 408 E CB -0.077 29.576 29.700 -0.077 0.000 0.756 408 E HN 0.526 nan 8.360 nan 0.000 0.459 409 I N 0.476 120.964 120.570 -0.136 0.000 2.353 409 I HA -0.208 3.962 4.170 -0.001 0.000 0.248 409 I C 2.716 178.832 176.117 -0.000 0.000 1.119 409 I CA 0.679 61.924 61.300 -0.091 0.000 1.417 409 I CB -0.137 37.759 38.000 -0.173 0.000 1.078 409 I HN -0.014 nan 8.210 nan 0.000 0.421 410 R N 1.378 121.881 120.500 0.006 0.000 2.096 410 R HA -0.239 4.100 4.340 -0.001 0.000 0.229 410 R C 2.430 178.715 176.300 -0.025 0.000 1.134 410 R CA 2.033 58.240 56.100 0.178 0.000 0.917 410 R CB -0.301 30.145 30.300 0.244 0.000 0.832 410 R HN 0.156 nan 8.270 nan 0.000 0.430 411 K N -0.217 120.058 120.400 -0.208 0.000 2.030 411 K HA -0.251 4.068 4.320 -0.001 0.000 0.222 411 K C 1.775 178.045 176.600 -0.550 0.000 1.056 411 K CA 2.701 58.538 56.287 -0.751 0.000 0.957 411 K CB -0.627 31.610 32.500 -0.438 0.000 0.727 411 K HN 0.247 nan 8.250 nan 0.000 0.452 412 T N 2.396 116.805 114.554 -0.241 0.000 2.624 412 T HA -0.189 4.160 4.350 -0.001 0.000 0.268 412 T C 1.958 176.611 174.700 -0.078 0.000 1.041 412 T CA 2.118 64.142 62.100 -0.126 0.000 1.159 412 T CB -0.337 68.504 68.868 -0.045 0.000 0.863 412 T HN 0.272 nan 8.240 nan 0.000 0.434 413 L N 0.771 121.986 121.223 -0.013 0.000 2.265 413 L HA -0.058 4.281 4.340 -0.001 0.000 0.215 413 L C 2.504 179.404 176.870 0.051 0.000 1.117 413 L CA 0.598 55.474 54.840 0.060 0.000 0.782 413 L CB -0.597 41.551 42.059 0.148 0.000 0.914 413 L HN 0.183 nan 8.230 nan 0.000 0.441 414 V N -0.915 118.985 119.914 -0.022 0.000 2.599 414 V HA -0.127 3.992 4.120 -0.001 0.000 0.245 414 V C 2.214 178.322 176.094 0.023 0.000 1.046 414 V CA 1.096 63.411 62.300 0.025 0.000 1.065 414 V CB -0.289 31.579 31.823 0.076 0.000 0.703 414 V HN 0.385 nan 8.190 nan 0.000 0.464 415 E N 0.105 120.253 120.200 -0.087 0.000 2.110 415 E HA -0.212 4.138 4.350 -0.001 0.000 0.193 415 E C 2.017 178.636 176.600 0.031 0.000 0.988 415 E CA 0.965 57.359 56.400 -0.008 0.000 0.804 415 E CB -0.070 29.596 29.700 -0.057 0.000 0.745 415 E HN 0.491 nan 8.360 nan 0.000 0.458 416 Q N 0.444 120.258 119.800 0.024 0.000 2.444 416 Q HA -0.042 4.297 4.340 -0.001 0.000 0.206 416 Q C -0.237 175.798 176.000 0.059 0.000 0.948 416 Q CA 0.430 56.259 55.803 0.042 0.000 0.946 416 Q CB 0.264 29.027 28.738 0.041 0.000 1.027 416 Q HN 0.196 nan 8.270 nan 0.000 0.513 417 D N -0.908 119.535 120.400 0.071 0.000 2.809 417 D HA -0.171 4.469 4.640 -0.001 0.000 0.234 417 D C 0.080 176.437 176.300 0.095 0.000 1.111 417 D CA 0.363 54.416 54.000 0.088 0.000 0.726 417 D CB -1.082 39.767 40.800 0.081 0.000 1.089 417 D HN 0.286 nan 8.370 nan 0.000 0.436 418 L N -1.273 120.009 121.223 0.098 0.000 2.433 418 L HA 0.254 4.593 4.340 -0.001 0.000 0.200 418 L C 1.101 178.047 176.870 0.127 0.000 1.059 418 L CA -0.226 54.678 54.840 0.107 0.000 0.835 418 L CB -0.071 42.046 42.059 0.096 0.000 1.076 418 L HN -0.057 nan 8.230 nan 0.000 0.481 419 V N 1.888 121.879 119.914 0.130 0.000 2.625 419 V HA -0.172 3.948 4.120 -0.001 0.000 0.305 419 V C 1.088 177.204 176.094 0.037 0.000 1.055 419 V CA 0.973 63.335 62.300 0.103 0.000 1.209 419 V CB 0.618 32.486 31.823 0.075 0.000 0.877 419 V HN 0.435 nan 8.190 nan 0.000 0.489 420 E N 3.342 123.561 120.200 0.031 0.000 2.476 420 E HA 0.126 4.475 4.350 -0.001 0.000 0.193 420 E C 0.482 176.872 176.600 -0.349 0.000 0.966 420 E CA 0.005 56.416 56.400 0.018 0.000 1.114 420 E CB 1.050 30.936 29.700 0.311 0.000 1.151 420 E HN 0.656 nan 8.360 nan 0.000 0.487 421 C N 1.732 120.804 119.300 -0.381 0.000 2.456 421 C HA 0.689 5.148 4.460 -0.001 0.000 0.325 421 C C -1.143 173.522 174.990 -0.541 0.000 1.217 421 C CA -0.754 57.844 59.018 -0.700 0.000 1.687 421 C CB 0.804 27.863 27.740 -1.135 0.000 2.270 421 C HN 0.465 nan 8.230 nan 0.000 0.499 422 M N 5.940 125.148 119.600 -0.653 0.000 2.142 422 M HA 0.403 4.882 4.480 -0.001 0.000 0.299 422 M C -0.820 175.261 176.300 -0.366 0.000 0.960 422 M CA -0.382 54.602 55.300 -0.526 0.000 0.920 422 M CB 1.338 33.582 32.600 -0.592 0.000 1.541 422 M HN 0.371 nan 8.290 nan 0.000 0.429 423 V N 2.868 122.623 119.914 -0.264 0.000 2.370 423 V HA 0.696 4.816 4.120 -0.001 0.000 0.283 423 V C 0.315 176.361 176.094 -0.081 0.000 1.023 423 V CA -0.935 61.263 62.300 -0.171 0.000 0.857 423 V CB 1.336 33.081 31.823 -0.131 0.000 0.985 423 V HN 0.916 nan 8.190 nan 0.000 0.443 424 A N 6.626 129.418 122.820 -0.046 0.000 2.301 424 A HA 0.834 5.153 4.320 -0.001 0.000 0.298 424 A C -0.517 177.106 177.584 0.065 0.000 1.185 424 A CA -0.385 51.657 52.037 0.009 0.000 0.830 424 A CB 0.367 19.376 19.000 0.015 0.000 1.112 424 A HN 0.817 nan 8.150 nan 0.000 0.508 425 L N 2.804 124.075 121.223 0.081 0.000 2.334 425 L HA 0.454 4.794 4.340 -0.001 0.000 0.272 425 L C -2.296 174.620 176.870 0.076 0.000 1.020 425 L CA -2.370 52.541 54.840 0.117 0.000 0.812 425 L CB 1.728 43.849 42.059 0.102 0.000 1.264 425 L HN 0.412 nan 8.230 nan 0.000 0.439 426 P HA 0.022 nan 4.420 nan 0.000 0.267 426 P C 0.824 178.120 177.300 -0.006 0.000 1.209 426 P CA -0.001 63.111 63.100 0.021 0.000 0.763 426 P CB 0.783 32.470 31.700 -0.021 0.000 0.816 427 G N 3.290 112.097 108.800 0.012 0.000 2.516 427 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.221 427 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.221 427 G C 0.863 175.764 174.900 0.002 0.000 1.107 427 G CA 0.477 45.586 45.100 0.016 0.000 0.747 427 G HN 0.718 nan 8.290 nan 0.000 0.567 428 Q N -0.651 119.136 119.800 -0.022 0.000 2.198 428 Q HA 0.384 4.723 4.340 -0.001 0.000 0.209 428 Q C 0.558 176.521 176.000 -0.061 0.000 0.848 428 Q CA -0.715 55.069 55.803 -0.033 0.000 0.974 428 Q CB 0.093 28.808 28.738 -0.038 0.000 1.115 428 Q HN 0.253 nan 8.270 nan 0.000 0.494 429 L N 2.000 123.169 121.223 -0.091 0.000 2.525 429 L HA 0.068 4.407 4.340 -0.001 0.000 0.278 429 L C -0.218 176.628 176.870 -0.040 0.000 1.218 429 L CA -0.036 54.711 54.840 -0.154 0.000 0.878 429 L CB 0.136 42.066 42.059 -0.215 0.000 1.127 429 L HN 0.272 nan 8.230 nan 0.000 0.492 430 F N 4.300 124.119 119.950 -0.219 0.000 2.616 430 F HA 0.061 4.588 4.527 -0.001 0.000 0.331 430 F C 1.409 177.113 175.800 -0.161 0.000 1.309 430 F CA 0.814 58.715 58.000 -0.166 0.000 1.068 430 F CB -0.371 38.533 39.000 -0.160 0.000 1.464 430 F HN 0.750 nan 8.300 nan 0.000 0.667 431 T N 1.782 116.189 114.554 -0.244 0.000 3.040 431 T HA -0.009 4.340 4.350 -0.001 0.000 0.252 431 T C 1.425 175.853 174.700 -0.454 0.000 1.064 431 T CA 0.857 62.768 62.100 -0.314 0.000 1.110 431 T CB -0.446 68.334 68.868 -0.148 0.000 0.921 431 T HN 0.750 nan 8.240 nan 0.000 0.480 432 N N 1.594 120.050 118.700 -0.406 0.000 2.693 432 N HA -0.160 4.580 4.740 -0.001 0.000 0.249 432 N C -0.725 174.637 175.510 -0.247 0.000 1.119 432 N CA 0.931 53.798 53.050 -0.305 0.000 0.717 432 N CB -1.188 37.062 38.487 -0.396 0.000 1.071 432 N HN 0.765 nan 8.380 nan 0.000 0.555 433 T N -2.883 111.522 114.554 -0.247 0.000 2.895 433 T HA 0.203 4.552 4.350 -0.001 0.000 0.283 433 T C 0.869 175.500 174.700 -0.115 0.000 1.014 433 T CA -0.739 61.185 62.100 -0.293 0.000 1.037 433 T CB 2.093 70.621 68.868 -0.567 0.000 1.006 433 T HN 0.086 nan 8.240 nan 0.000 0.468 434 Q N 0.826 120.586 119.800 -0.067 0.000 2.181 434 Q HA -0.045 4.295 4.340 -0.001 0.000 0.205 434 Q C 0.112 176.148 176.000 0.061 0.000 0.980 434 Q CA 1.234 57.045 55.803 0.013 0.000 0.862 434 Q CB -0.107 28.653 28.738 0.037 0.000 0.905 434 Q HN 0.780 nan 8.270 nan 0.000 0.429 435 I N 1.200 121.845 120.570 0.125 0.000 2.530 435 I HA 0.291 4.460 4.170 -0.001 0.000 0.297 435 I C -2.242 174.004 176.117 0.214 0.000 1.011 435 I CA -2.709 58.703 61.300 0.186 0.000 1.107 435 I CB 1.907 40.061 38.000 0.258 0.000 1.285 435 I HN -0.081 nan 8.210 nan 0.000 0.436 436 P HA 0.219 nan 4.420 nan 0.000 0.269 436 P C -1.019 176.391 177.300 0.184 0.000 1.215 436 P CA -0.117 63.060 63.100 0.129 0.000 0.780 436 P CB 0.726 32.471 31.700 0.075 0.000 0.898 437 A N 1.071 123.996 122.820 0.175 0.000 2.486 437 A HA 0.814 5.134 4.320 -0.001 0.000 0.289 437 A C -0.523 177.130 177.584 0.115 0.000 1.176 437 A CA -0.333 51.821 52.037 0.195 0.000 0.757 437 A CB 0.808 20.047 19.000 0.398 0.000 1.337 437 A HN 0.730 nan 8.150 nan 0.000 0.423 438 C N -1.299 118.063 119.300 0.104 0.000 3.213 438 C HA 0.878 5.337 4.460 -0.001 0.000 0.319 438 C C -0.736 174.328 174.990 0.124 0.000 1.386 438 C CA -0.865 58.204 59.018 0.086 0.000 1.494 438 C CB 0.220 27.977 27.740 0.027 0.000 1.905 438 C HN 0.699 nan 8.230 nan 0.000 0.456 439 I N 1.231 121.840 120.570 0.066 0.000 2.359 439 I HA 0.314 4.483 4.170 -0.001 0.000 0.284 439 I C -0.893 175.255 176.117 0.053 0.000 1.018 439 I CA 0.098 61.449 61.300 0.085 0.000 1.173 439 I CB 0.540 38.569 38.000 0.049 0.000 1.326 439 I HN 0.633 nan 8.210 nan 0.000 0.462 440 W N 6.431 127.661 121.300 -0.115 0.000 2.238 440 W HA 0.345 5.004 4.660 -0.001 0.000 0.321 440 W C -0.322 176.127 176.519 -0.117 0.000 1.293 440 W CA -0.072 57.196 57.345 -0.128 0.000 1.204 440 W CB 0.426 29.787 29.460 -0.166 0.000 1.167 440 W HN 0.207 nan 8.180 nan 0.000 0.553 441 F N 4.358 124.262 119.950 -0.077 0.000 2.518 441 F HA 0.654 5.180 4.527 -0.001 0.000 0.323 441 F C -1.376 174.380 175.800 -0.075 0.000 1.129 441 F CA -1.173 56.735 58.000 -0.153 0.000 0.920 441 F CB 0.725 39.467 39.000 -0.431 0.000 1.160 441 F HN 0.047 nan 8.300 nan 0.000 0.440 442 L N 3.639 124.856 121.223 -0.010 0.000 2.376 442 L HA 0.810 5.150 4.340 -0.001 0.000 0.258 442 L C -0.730 176.204 176.870 0.106 0.000 1.013 442 L CA -0.539 54.372 54.840 0.119 0.000 0.822 442 L CB 2.603 44.707 42.059 0.076 0.000 1.388 442 L HN 0.550 nan 8.230 nan 0.000 0.413 443 T N -1.389 113.264 114.554 0.164 0.000 2.916 443 T HA 0.328 4.677 4.350 -0.001 0.000 0.305 443 T C 0.363 175.115 174.700 0.087 0.000 1.119 443 T CA -0.850 61.328 62.100 0.130 0.000 1.008 443 T CB 2.284 71.278 68.868 0.211 0.000 1.129 443 T HN 0.459 nan 8.240 nan 0.000 0.480 444 K N 0.481 120.907 120.400 0.043 0.000 2.432 444 K HA 0.047 4.366 4.320 -0.001 0.000 0.196 444 K C -0.030 176.589 176.600 0.033 0.000 1.038 444 K CA 0.687 56.991 56.287 0.029 0.000 0.986 444 K CB 0.189 32.688 32.500 -0.002 0.000 0.782 444 K HN 0.595 nan 8.250 nan 0.000 0.485 445 D N 0.069 120.496 120.400 0.044 0.000 2.616 445 D HA 0.104 4.743 4.640 -0.001 0.000 0.238 445 D C -0.559 175.772 176.300 0.052 0.000 1.354 445 D CA -0.472 53.551 54.000 0.037 0.000 0.970 445 D CB 0.965 41.773 40.800 0.014 0.000 1.369 445 D HN -0.248 nan 8.370 nan 0.000 0.585 446 K N 2.488 122.918 120.400 0.049 0.000 2.498 446 K HA 0.220 4.539 4.320 -0.001 0.000 0.207 446 K C 0.286 176.884 176.600 -0.003 0.000 1.033 446 K CA -0.618 55.693 56.287 0.041 0.000 1.138 446 K CB 0.238 32.777 32.500 0.065 0.000 0.860 446 K HN 0.397 nan 8.250 nan 0.000 0.490 447 N N 1.380 120.079 118.700 -0.002 0.000 2.424 447 N HA 0.113 4.853 4.740 -0.001 0.000 0.257 447 N C -0.362 175.131 175.510 -0.029 0.000 1.250 447 N CA 0.048 53.090 53.050 -0.014 0.000 0.946 447 N CB 0.895 39.378 38.487 -0.005 0.000 1.175 447 N HN 0.114 nan 8.380 nan 0.000 0.477 448 A N 1.215 124.016 122.820 -0.031 0.000 2.524 448 A HA 0.251 4.571 4.320 -0.001 0.000 0.250 448 A C 0.495 178.065 177.584 -0.023 0.000 1.078 448 A CA 0.609 52.625 52.037 -0.035 0.000 0.761 448 A CB -0.119 18.862 19.000 -0.031 0.000 1.012 448 A HN 0.722 nan 8.150 nan 0.000 0.500 449 K N 1.512 121.898 120.400 -0.024 0.000 2.735 449 K HA 0.213 4.533 4.320 -0.001 0.000 0.295 449 K C 0.210 176.805 176.600 -0.008 0.000 1.052 449 K CA -0.497 55.784 56.287 -0.011 0.000 0.853 449 K CB 0.564 33.061 32.500 -0.005 0.000 1.535 449 K HN 0.495 nan 8.250 nan 0.000 0.383 450 N N -0.435 118.268 118.700 0.004 0.000 2.677 450 N HA -0.306 4.433 4.740 -0.001 0.000 0.236 450 N C 0.717 176.233 175.510 0.010 0.000 1.109 450 N CA 2.493 55.551 53.050 0.014 0.000 0.993 450 N CB -0.638 37.867 38.487 0.030 0.000 1.165 450 N HN 0.903 nan 8.380 nan 0.000 0.603 451 G N -1.887 106.910 108.800 -0.004 0.000 2.480 451 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.193 451 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.193 451 G C -0.292 174.591 174.900 -0.029 0.000 1.004 451 G CA 0.107 45.201 45.100 -0.009 0.000 0.696 451 G HN 0.401 nan 8.290 nan 0.000 0.478 452 K N 2.100 122.477 120.400 -0.037 0.000 2.234 452 K HA 0.522 4.841 4.320 -0.001 0.000 0.282 452 K C 1.029 177.576 176.600 -0.088 0.000 1.039 452 K CA -0.638 55.604 56.287 -0.075 0.000 0.928 452 K CB 1.364 33.826 32.500 -0.064 0.000 1.039 452 K HN 0.632 nan 8.250 nan 0.000 0.470 453 R N 1.067 121.487 120.500 -0.134 0.000 2.828 453 R HA 0.100 4.440 4.340 -0.001 0.000 0.270 453 R C -0.137 176.087 176.300 -0.127 0.000 1.244 453 R CA -0.603 55.421 56.100 -0.127 0.000 1.143 453 R CB 0.236 30.442 30.300 -0.155 0.000 1.128 453 R HN 0.522 nan 8.270 nan 0.000 0.587 454 D N 0.340 120.676 120.400 -0.106 0.000 2.325 454 D HA 0.020 4.660 4.640 -0.001 0.000 0.251 454 D C -0.114 176.104 176.300 -0.137 0.000 1.196 454 D CA -0.267 53.679 54.000 -0.091 0.000 0.866 454 D CB 0.691 41.458 40.800 -0.054 0.000 1.101 454 D HN 0.652 nan 8.370 nan 0.000 0.476 455 R N 3.162 123.572 120.500 -0.150 0.000 2.642 455 R HA 0.225 4.564 4.340 -0.001 0.000 0.435 455 R C -0.075 176.197 176.300 -0.046 0.000 1.046 455 R CA -0.672 55.313 56.100 -0.193 0.000 1.103 455 R CB 0.186 30.180 30.300 -0.510 0.000 1.425 455 R HN 0.161 nan 8.270 nan 0.000 0.586 456 R N 0.449 120.943 120.500 -0.009 0.000 2.698 456 R HA 0.140 4.479 4.340 -0.001 0.000 0.266 456 R C 0.858 177.195 176.300 0.061 0.000 1.026 456 R CA 1.564 57.686 56.100 0.037 0.000 1.102 456 R CB 0.293 30.611 30.300 0.030 0.000 0.978 456 R HN 0.550 nan 8.270 nan 0.000 0.436 457 G N 1.138 109.991 108.800 0.088 0.000 2.189 457 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.267 457 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.267 457 G C 0.028 175.007 174.900 0.131 0.000 0.975 457 G CA 0.241 45.406 45.100 0.108 0.000 0.644 457 G HN 0.567 nan 8.290 nan 0.000 0.537 458 Q N -0.641 119.248 119.800 0.147 0.000 2.309 458 Q HA 0.685 5.024 4.340 -0.001 0.000 0.264 458 Q C -0.789 175.365 176.000 0.256 0.000 1.008 458 Q CA -0.769 55.157 55.803 0.206 0.000 0.853 458 Q CB 2.930 31.797 28.738 0.215 0.000 1.314 458 Q HN 0.214 nan 8.270 nan 0.000 0.448 459 V N 2.777 122.745 119.914 0.091 0.000 2.733 459 V HA 0.332 4.451 4.120 -0.001 0.000 0.306 459 V C -1.245 174.487 176.094 -0.603 0.000 1.084 459 V CA -0.818 61.318 62.300 -0.272 0.000 0.905 459 V CB 1.894 33.496 31.823 -0.367 0.000 1.010 459 V HN 0.584 nan 8.190 nan 0.000 0.424 460 L N 4.938 125.522 121.223 -1.065 0.000 2.289 460 L HA 0.677 5.017 4.340 -0.001 0.000 0.285 460 L C -1.113 175.171 176.870 -0.977 0.000 1.049 460 L CA 0.263 54.438 54.840 -1.108 0.000 0.804 460 L CB 0.860 41.873 42.059 -1.743 0.000 1.195 460 L HN 0.480 nan 8.230 nan 0.000 0.428 461 F N 6.205 125.914 119.950 -0.402 0.000 2.332 461 F HA 0.476 5.002 4.527 -0.001 0.000 0.368 461 F C 0.022 175.650 175.800 -0.285 0.000 1.110 461 F CA -0.369 57.448 58.000 -0.305 0.000 1.087 461 F CB 0.815 39.708 39.000 -0.178 0.000 1.235 461 F HN 0.264 nan 8.300 nan 0.000 0.470 462 I N 3.218 123.637 120.570 -0.251 0.000 2.342 462 I HA 0.164 4.334 4.170 -0.001 0.000 0.291 462 I C -0.247 175.734 176.117 -0.228 0.000 1.010 462 I CA -0.280 60.799 61.300 -0.368 0.000 1.308 462 I CB 0.900 38.602 38.000 -0.496 0.000 1.400 462 I HN 0.419 nan 8.210 nan 0.000 0.488 463 D N 6.616 126.887 120.400 -0.214 0.000 2.473 463 D HA 0.388 5.027 4.640 -0.001 0.000 0.226 463 D C 0.150 176.461 176.300 0.019 0.000 1.089 463 D CA -0.380 53.592 54.000 -0.047 0.000 0.883 463 D CB 1.580 42.397 40.800 0.028 0.000 1.029 463 D HN 0.611 nan 8.370 nan 0.000 0.517 464 A N 4.246 127.103 122.820 0.063 0.000 2.545 464 A HA 0.178 4.497 4.320 -0.001 0.000 0.277 464 A C 1.798 179.534 177.584 0.253 0.000 1.301 464 A CA -0.293 51.869 52.037 0.207 0.000 0.935 464 A CB 0.044 19.151 19.000 0.180 0.000 1.093 464 A HN 0.473 nan 8.150 nan 0.000 0.519 465 R N 0.806 121.411 120.500 0.175 0.000 2.096 465 R HA -0.125 4.215 4.340 -0.001 0.000 0.240 465 R C 1.416 177.813 176.300 0.162 0.000 1.139 465 R CA 1.759 57.946 56.100 0.145 0.000 0.952 465 R CB -0.103 30.254 30.300 0.095 0.000 0.854 465 R HN 0.281 nan 8.270 nan 0.000 0.436 466 K N 0.432 120.937 120.400 0.174 0.000 2.439 466 K HA 0.023 4.342 4.320 -0.001 0.000 0.197 466 K C 0.749 177.458 176.600 0.182 0.000 1.041 466 K CA 0.468 56.846 56.287 0.152 0.000 0.970 466 K CB -0.021 32.558 32.500 0.132 0.000 0.773 466 K HN 0.227 nan 8.250 nan 0.000 0.479 467 L N 0.266 121.647 121.223 0.264 0.000 2.475 467 L HA 0.272 4.611 4.340 -0.001 0.000 0.253 467 L C 0.887 178.029 176.870 0.454 0.000 1.198 467 L CA 0.218 55.258 54.840 0.333 0.000 0.814 467 L CB 0.671 42.918 42.059 0.313 0.000 1.134 467 L HN 0.373 nan 8.230 nan 0.000 0.478 468 G N 0.489 109.593 108.800 0.507 0.000 2.408 468 G HA2 0.053 4.012 3.960 -0.001 0.000 0.682 468 G HA3 0.053 4.012 3.960 -0.001 0.000 0.682 468 G C -1.812 173.260 174.900 0.287 0.000 1.303 468 G CA -0.335 44.969 45.100 0.340 0.000 0.966 468 G HN 0.903 nan 8.290 nan 0.000 0.560 469 Y N -2.582 117.768 120.300 0.082 0.000 2.558 469 Y HA 0.764 5.313 4.550 -0.001 0.000 0.333 469 Y C -0.034 175.872 175.900 0.010 0.000 1.125 469 Y CA -1.665 56.465 58.100 0.050 0.000 1.039 469 Y CB 1.015 39.512 38.460 0.061 0.000 1.331 469 Y HN 0.742 nan 8.280 nan 0.000 0.456 470 M N 4.718 124.364 119.600 0.078 0.000 2.474 470 M HA 0.038 4.517 4.480 -0.001 0.000 0.352 470 M C 1.235 177.518 176.300 -0.028 0.000 1.690 470 M CA 0.527 55.812 55.300 -0.024 0.000 1.112 470 M CB 0.759 33.377 32.600 0.029 0.000 2.062 470 M HN 0.987 nan 8.290 nan 0.000 0.461 471 K N 2.717 122.974 120.400 -0.239 0.000 2.005 471 K HA -0.108 4.211 4.320 -0.001 0.000 0.206 471 K C 0.277 176.815 176.600 -0.103 0.000 1.044 471 K CA 1.826 58.003 56.287 -0.183 0.000 0.942 471 K CB 0.370 32.667 32.500 -0.338 0.000 0.727 471 K HN 0.843 nan 8.250 nan 0.000 0.439 472 D N -2.568 117.755 120.400 -0.129 0.000 2.831 472 D HA 0.100 4.739 4.640 -0.001 0.000 0.240 472 D C 0.900 177.161 176.300 -0.064 0.000 1.183 472 D CA -0.716 53.231 54.000 -0.089 0.000 1.079 472 D CB 0.077 40.811 40.800 -0.110 0.000 1.262 472 D HN -0.126 nan 8.370 nan 0.000 0.634 473 R N -0.520 119.949 120.500 -0.052 0.000 2.081 473 R HA -0.079 4.260 4.340 -0.001 0.000 0.235 473 R C 1.790 178.064 176.300 -0.043 0.000 1.131 473 R CA 2.081 58.159 56.100 -0.037 0.000 0.960 473 R CB -0.288 29.994 30.300 -0.029 0.000 0.856 473 R HN 0.462 nan 8.270 nan 0.000 0.436 474 V N -0.821 119.060 119.914 -0.056 0.000 2.523 474 V HA 0.122 4.241 4.120 -0.001 0.000 0.226 474 V C 1.242 177.289 176.094 -0.079 0.000 1.107 474 V CA 0.072 62.340 62.300 -0.054 0.000 1.121 474 V CB -0.979 30.820 31.823 -0.040 0.000 0.753 474 V HN 0.058 nan 8.190 nan 0.000 0.497 475 L N 2.418 123.579 121.223 -0.103 0.000 2.693 475 L HA 0.020 4.359 4.340 -0.001 0.000 0.292 475 L C 0.555 177.305 176.870 -0.200 0.000 1.243 475 L CA 0.818 55.574 54.840 -0.141 0.000 0.903 475 L CB -0.589 41.344 42.059 -0.209 0.000 1.160 475 L HN 0.445 nan 8.230 nan 0.000 0.496 476 R N 2.072 122.439 120.500 -0.222 0.000 2.664 476 R HA 0.545 4.884 4.340 -0.001 0.000 0.286 476 R C -0.875 175.149 176.300 -0.461 0.000 0.967 476 R CA -0.911 54.987 56.100 -0.337 0.000 0.933 476 R CB 2.110 32.278 30.300 -0.220 0.000 1.146 476 R HN 0.572 nan 8.270 nan 0.000 0.468 477 D N 0.080 120.034 120.400 -0.743 0.000 2.732 477 D HA 0.437 5.077 4.640 -0.001 0.000 0.292 477 D C -1.489 174.615 176.300 -0.327 0.000 1.135 477 D CA -0.536 53.101 54.000 -0.605 0.000 1.071 477 D CB 1.236 41.755 40.800 -0.469 0.000 1.457 477 D HN 0.124 nan 8.370 nan 0.000 0.547 478 F N 1.268 121.297 119.950 0.131 0.000 2.445 478 F HA 0.384 4.910 4.527 -0.001 0.000 0.348 478 F C 0.512 176.513 175.800 0.334 0.000 1.125 478 F CA -0.854 57.302 58.000 0.259 0.000 0.983 478 F CB 1.214 40.304 39.000 0.149 0.000 1.198 478 F HN -0.014 nan 8.300 nan 0.000 0.436 479 K N 2.246 122.972 120.400 0.544 0.000 2.489 479 K HA -0.087 4.232 4.320 -0.001 0.000 0.278 479 K C 1.005 177.711 176.600 0.177 0.000 1.000 479 K CA 0.058 56.482 56.287 0.229 0.000 1.012 479 K CB 0.763 33.298 32.500 0.059 0.000 0.903 479 K HN 0.542 nan 8.250 nan 0.000 0.485 480 D N 2.790 123.268 120.400 0.129 0.000 2.311 480 D HA -0.202 4.437 4.640 -0.001 0.000 0.212 480 D C 1.541 177.881 176.300 0.066 0.000 0.972 480 D CA 1.029 55.091 54.000 0.103 0.000 0.887 480 D CB 0.301 41.159 40.800 0.097 0.000 0.915 480 D HN 0.617 nan 8.370 nan 0.000 0.497 481 E N 0.643 120.873 120.200 0.050 0.000 2.033 481 E HA -0.207 4.143 4.350 -0.001 0.000 0.199 481 E C 1.328 177.937 176.600 0.014 0.000 1.011 481 E CA 1.370 57.787 56.400 0.028 0.000 0.815 481 E CB -0.015 29.695 29.700 0.016 0.000 0.755 481 E HN 0.350 nan 8.360 nan 0.000 0.451 482 D N 0.350 120.755 120.400 0.009 0.000 2.144 482 D HA -0.153 4.486 4.640 -0.001 0.000 0.199 482 D C 2.209 178.403 176.300 -0.176 0.000 0.984 482 D CA 1.046 54.986 54.000 -0.101 0.000 0.834 482 D CB -0.199 40.505 40.800 -0.159 0.000 0.955 482 D HN 0.334 nan 8.370 nan 0.000 0.465 483 I N 0.792 121.307 120.570 -0.090 0.000 2.286 483 I HA -0.282 3.887 4.170 -0.001 0.000 0.248 483 I C 2.586 178.710 176.117 0.013 0.000 1.115 483 I CA 0.876 62.148 61.300 -0.047 0.000 1.392 483 I CB -0.063 37.971 38.000 0.058 0.000 1.065 483 I HN -0.099 nan 8.210 nan 0.000 0.418 484 Q N 1.456 121.282 119.800 0.044 0.000 2.046 484 Q HA -0.241 4.099 4.340 -0.001 0.000 0.200 484 Q C 2.124 178.161 176.000 0.062 0.000 0.975 484 Q CA 1.807 57.656 55.803 0.077 0.000 0.836 484 Q CB -0.197 28.586 28.738 0.075 0.000 0.896 484 Q HN 0.290 nan 8.270 nan 0.000 0.428 485 K N -0.523 119.897 120.400 0.033 0.000 2.063 485 K HA -0.152 4.167 4.320 -0.001 0.000 0.208 485 K C 2.011 178.679 176.600 0.112 0.000 1.048 485 K CA 1.420 57.742 56.287 0.058 0.000 0.928 485 K CB -0.198 32.310 32.500 0.014 0.000 0.713 485 K HN 0.263 nan 8.250 nan 0.000 0.442 486 L N 0.240 121.487 121.223 0.042 0.000 1.994 486 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 486 L C 2.604 179.463 176.870 -0.019 0.000 1.071 486 L CA 1.432 56.282 54.840 0.017 0.000 0.745 486 L CB -0.556 41.444 42.059 -0.097 0.000 0.892 486 L HN 0.269 nan 8.230 nan 0.000 0.431 487 A N -0.188 122.603 122.820 -0.049 0.000 1.865 487 A HA -0.276 4.043 4.320 -0.001 0.000 0.217 487 A C 1.977 179.473 177.584 -0.146 0.000 1.191 487 A CA 2.108 54.033 52.037 -0.188 0.000 0.623 487 A CB -0.750 18.211 19.000 -0.064 0.000 0.826 487 A HN 0.400 nan 8.150 nan 0.000 0.444 488 D N -0.422 120.018 120.400 0.066 0.000 2.154 488 D HA -0.155 4.484 4.640 -0.001 0.000 0.190 488 D C 2.043 178.446 176.300 0.171 0.000 1.003 488 D CA 2.189 56.282 54.000 0.155 0.000 0.849 488 D CB -0.806 40.085 40.800 0.153 0.000 0.942 488 D HN 0.458 nan 8.370 nan 0.000 0.446 489 T N 0.259 114.919 114.554 0.177 0.000 2.788 489 T HA -0.153 4.196 4.350 -0.001 0.000 0.268 489 T C 1.676 176.478 174.700 0.171 0.000 1.044 489 T CA 0.761 63.010 62.100 0.249 0.000 1.139 489 T CB -0.330 68.713 68.868 0.292 0.000 0.867 489 T HN 0.130 nan 8.240 nan 0.000 0.454 490 F N 1.425 121.302 119.950 -0.121 0.000 2.187 490 F HA 0.076 4.602 4.527 -0.001 0.000 0.295 490 F C 2.125 177.963 175.800 0.063 0.000 1.091 490 F CA 0.817 58.693 58.000 -0.206 0.000 1.308 490 F CB -0.574 38.168 39.000 -0.429 0.000 1.030 490 F HN 0.305 nan 8.300 nan 0.000 0.487 491 H N -0.793 118.210 119.070 -0.111 0.000 2.495 491 H HA -0.069 4.486 4.556 -0.001 0.000 0.287 491 H C 1.632 176.949 175.328 -0.019 0.000 1.033 491 H CA 0.626 56.587 56.048 -0.146 0.000 1.307 491 H CB 0.024 29.802 29.762 0.026 0.000 1.401 491 H HN 0.240 nan 8.280 nan 0.000 0.555 492 N N 0.501 119.337 118.700 0.227 0.000 2.062 492 N HA -0.172 4.567 4.740 -0.001 0.000 0.191 492 N C 1.592 177.283 175.510 0.301 0.000 1.042 492 N CA 0.944 54.159 53.050 0.276 0.000 0.845 492 N CB -0.736 37.982 38.487 0.386 0.000 1.024 492 N HN 0.460 nan 8.380 nan 0.000 0.424 493 W N 2.378 123.727 121.300 0.081 0.000 2.331 493 W HA -0.162 4.498 4.660 -0.001 0.000 0.291 493 W C 2.068 178.475 176.519 -0.186 0.000 1.214 493 W CA 1.313 58.580 57.345 -0.130 0.000 1.228 493 W CB -0.169 28.890 29.460 -0.668 0.000 1.135 493 W HN 0.197 nan 8.180 nan 0.000 0.537 494 Q N -0.417 119.297 119.800 -0.144 0.000 2.226 494 Q HA -0.251 4.088 4.340 -0.001 0.000 0.204 494 Q C 2.092 177.932 176.000 -0.267 0.000 0.975 494 Q CA 1.831 57.440 55.803 -0.324 0.000 0.866 494 Q CB -0.120 28.426 28.738 -0.320 0.000 0.915 494 Q HN 0.559 nan 8.270 nan 0.000 0.440 495 Q N -0.229 119.485 119.800 -0.144 0.000 2.200 495 Q HA 0.014 4.354 4.340 -0.001 0.000 0.197 495 Q C 0.140 176.084 176.000 -0.094 0.000 0.953 495 Q CA 0.664 56.413 55.803 -0.090 0.000 0.851 495 Q CB 0.567 29.295 28.738 -0.017 0.000 0.938 495 Q HN 0.275 nan 8.270 nan 0.000 0.488 496 E N -1.705 118.469 120.200 -0.043 0.000 2.423 496 E HA 0.339 4.689 4.350 -0.001 0.000 0.280 496 E C -1.547 175.166 176.600 0.189 0.000 1.030 496 E CA -0.892 55.512 56.400 0.006 0.000 0.812 496 E CB 1.583 31.293 29.700 0.017 0.000 1.313 496 E HN 0.085 nan 8.360 nan 0.000 0.456 497 W N 0.406 121.622 121.300 -0.140 0.000 2.895 497 W HA 0.454 5.113 4.660 -0.001 0.000 0.377 497 W C -1.545 174.945 176.519 -0.048 0.000 1.191 497 W CA 0.022 57.326 57.345 -0.069 0.000 1.179 497 W CB 1.963 31.377 29.460 -0.076 0.000 1.469 497 W HN 0.962 nan 8.180 nan 0.000 0.577 498 S N -1.459 114.073 115.700 -0.281 0.000 2.636 498 S HA 0.367 4.837 4.470 -0.001 0.000 0.266 498 S C 0.244 174.716 174.600 -0.212 0.000 1.147 498 S CA 0.160 58.264 58.200 -0.160 0.000 0.815 498 S CB 1.136 64.235 63.200 -0.169 0.000 1.119 498 S HN 0.716 nan 8.310 nan 0.000 0.470 499 E N 0.101 120.254 120.200 -0.079 0.000 2.171 499 E HA -0.062 4.287 4.350 -0.001 0.000 0.197 499 E C 2.142 178.680 176.600 -0.104 0.000 0.997 499 E CA 2.777 59.148 56.400 -0.047 0.000 0.810 499 E CB -1.984 27.723 29.700 0.011 0.000 0.738 499 E HN 1.070 nan 8.360 nan 0.000 0.467 500 E N 1.631 121.734 120.200 -0.162 0.000 2.049 500 E HA -0.264 4.085 4.350 -0.001 0.000 0.198 500 E C 2.043 178.492 176.600 -0.252 0.000 1.007 500 E CA 1.483 57.782 56.400 -0.167 0.000 0.809 500 E CB -0.902 28.700 29.700 -0.163 0.000 0.749 500 E HN 0.580 nan 8.360 nan 0.000 0.450 501 N N 1.024 119.390 118.700 -0.556 0.000 2.512 501 N HA -0.060 4.679 4.740 -0.001 0.000 0.183 501 N C -0.103 175.153 175.510 -0.424 0.000 1.073 501 N CA 0.293 52.864 53.050 -0.800 0.000 0.911 501 N CB -0.181 37.241 38.487 -1.775 0.000 0.964 501 N HN 0.387 nan 8.380 nan 0.000 0.447 502 N N 1.991 120.635 118.700 -0.092 0.000 2.492 502 N HA 0.013 4.752 4.740 -0.001 0.000 0.262 502 N C -0.024 175.633 175.510 0.246 0.000 1.202 502 N CA 0.496 53.725 53.050 0.297 0.000 0.926 502 N CB 0.684 39.346 38.487 0.292 0.000 1.078 502 N HN 0.235 nan 8.380 nan 0.000 0.454 503 Q N 0.561 120.566 119.800 0.341 0.000 2.340 503 Q HA 0.602 4.941 4.340 -0.001 0.000 0.268 503 Q C -0.594 175.588 176.000 0.304 0.000 1.031 503 Q CA -0.964 55.007 55.803 0.280 0.000 0.804 503 Q CB 2.063 30.981 28.738 0.301 0.000 1.286 503 Q HN 0.634 nan 8.270 nan 0.000 0.448 504 A N 1.028 123.982 122.820 0.223 0.000 2.445 504 A HA 0.507 4.826 4.320 -0.001 0.000 0.242 504 A C 1.163 178.861 177.584 0.190 0.000 1.075 504 A CA 0.725 52.873 52.037 0.186 0.000 0.777 504 A CB -0.374 18.699 19.000 0.121 0.000 1.013 504 A HN 1.087 nan 8.150 nan 0.000 0.493 505 G N -0.552 108.346 108.800 0.164 0.000 2.168 505 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.257 505 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.257 505 G C 0.145 175.218 174.900 0.288 0.000 0.997 505 G CA 1.323 46.525 45.100 0.170 0.000 0.708 505 G HN 1.653 nan 8.290 nan 0.000 0.520 506 F N -0.589 119.429 119.950 0.112 0.000 1.796 506 F HA 0.335 4.861 4.527 -0.001 0.000 0.233 506 F C 1.065 176.953 175.800 0.147 0.000 1.242 506 F CA 0.920 58.990 58.000 0.116 0.000 1.308 506 F CB 0.079 39.143 39.000 0.108 0.000 1.920 506 F HN 0.678 nan 8.300 nan 0.000 0.237 507 C N 0.316 119.721 119.300 0.174 0.000 2.562 507 C HA 0.828 5.287 4.460 -0.001 0.000 0.332 507 C C -0.914 174.306 174.990 0.383 0.000 1.201 507 C CA -1.201 57.881 59.018 0.108 0.000 1.803 507 C CB 0.797 28.618 27.740 0.134 0.000 2.328 507 C HN 0.511 nan 8.230 nan 0.000 0.500 508 F N 1.274 121.311 119.950 0.145 0.000 2.670 508 F HA 0.447 4.973 4.527 -0.001 0.000 0.332 508 F C -0.246 175.641 175.800 0.144 0.000 1.179 508 F CA -0.082 58.064 58.000 0.243 0.000 1.076 508 F CB 1.459 40.598 39.000 0.231 0.000 1.322 508 F HN 0.824 nan 8.300 nan 0.000 0.515 509 S N 5.490 121.037 115.700 -0.253 0.000 2.485 509 S HA 0.738 5.207 4.470 -0.001 0.000 0.312 509 S C 0.190 174.713 174.600 -0.129 0.000 1.102 509 S CA 0.142 58.202 58.200 -0.233 0.000 1.066 509 S CB -0.366 62.704 63.200 -0.218 0.000 1.102 509 S HN 0.877 nan 8.310 nan 0.000 0.519 510 A N 3.902 126.836 122.820 0.192 0.000 2.257 510 A HA 0.670 4.989 4.320 -0.001 0.000 0.290 510 A C 0.148 177.883 177.584 0.252 0.000 1.201 510 A CA -0.551 51.732 52.037 0.410 0.000 0.863 510 A CB 0.324 19.649 19.000 0.542 0.000 1.256 510 A HN 0.890 nan 8.150 nan 0.000 0.506 511 D N -1.884 118.678 120.400 0.269 0.000 2.552 511 D HA 0.250 4.890 4.640 -0.001 0.000 0.239 511 D C 0.553 176.973 176.300 0.199 0.000 1.139 511 D CA -0.654 53.467 54.000 0.201 0.000 0.914 511 D CB 1.222 42.127 40.800 0.174 0.000 1.461 511 D HN 0.344 nan 8.370 nan 0.000 0.462 512 L N 1.660 122.991 121.223 0.181 0.000 2.081 512 L HA -0.114 4.225 4.340 -0.001 0.000 0.212 512 L C 2.153 179.124 176.870 0.169 0.000 1.080 512 L CA 2.753 57.718 54.840 0.209 0.000 0.754 512 L CB -0.912 41.270 42.059 0.204 0.000 0.893 512 L HN 0.650 nan 8.230 nan 0.000 0.433 513 A N -1.024 121.874 122.820 0.131 0.000 1.929 513 A HA -0.098 4.221 4.320 -0.001 0.000 0.216 513 A C 2.171 179.793 177.584 0.063 0.000 1.176 513 A CA 1.400 53.485 52.037 0.080 0.000 0.628 513 A CB -0.850 18.198 19.000 0.081 0.000 0.816 513 A HN 0.444 nan 8.150 nan 0.000 0.444 514 L N 0.107 121.412 121.223 0.136 0.000 2.083 514 L HA -0.096 4.244 4.340 -0.001 0.000 0.209 514 L C 2.146 179.141 176.870 0.207 0.000 1.083 514 L CA 1.602 56.550 54.840 0.180 0.000 0.752 514 L CB -0.463 41.783 42.059 0.311 0.000 0.899 514 L HN 0.443 nan 8.230 nan 0.000 0.433 515 I N -1.130 119.557 120.570 0.195 0.000 2.202 515 I HA -0.266 3.904 4.170 -0.001 0.000 0.242 515 I C 2.694 178.629 176.117 -0.303 0.000 1.091 515 I CA 1.168 62.557 61.300 0.148 0.000 1.368 515 I CB -0.358 37.794 38.000 0.253 0.000 1.058 515 I HN 0.234 nan 8.210 nan 0.000 0.410 516 R N 1.406 121.589 120.500 -0.530 0.000 2.083 516 R HA -0.249 4.090 4.340 -0.001 0.000 0.237 516 R C 2.339 178.366 176.300 -0.455 0.000 1.137 516 R CA 1.850 57.399 56.100 -0.918 0.000 0.951 516 R CB -0.164 29.920 30.300 -0.361 0.000 0.851 516 R HN 0.178 nan 8.270 nan 0.000 0.434 517 K N 0.224 120.496 120.400 -0.214 0.000 2.059 517 K HA -0.147 4.173 4.320 -0.001 0.000 0.212 517 K C 1.065 177.564 176.600 -0.168 0.000 1.050 517 K CA 1.876 58.081 56.287 -0.137 0.000 0.927 517 K CB -0.057 32.399 32.500 -0.073 0.000 0.714 517 K HN 0.232 nan 8.250 nan 0.000 0.447 518 N N 1.110 119.702 118.700 -0.180 0.000 2.362 518 N HA -0.038 4.701 4.740 -0.001 0.000 0.211 518 N C -0.799 174.627 175.510 -0.140 0.000 1.170 518 N CA 0.800 53.746 53.050 -0.173 0.000 0.828 518 N CB 0.405 38.756 38.487 -0.227 0.000 1.034 518 N HN 0.211 nan 8.380 nan 0.000 0.475 519 D N -1.061 119.218 120.400 -0.202 0.000 3.006 519 D HA -0.208 4.431 4.640 -0.001 0.000 0.205 519 D C -0.673 175.659 176.300 0.054 0.000 1.075 519 D CA 0.399 54.344 54.000 -0.091 0.000 1.000 519 D CB -1.461 39.330 40.800 -0.015 0.000 1.097 519 D HN 0.256 nan 8.370 nan 0.000 0.426 520 F N -2.530 117.483 119.950 0.104 0.000 2.905 520 F HA -0.221 4.306 4.527 -0.001 0.000 0.311 520 F C 0.095 175.976 175.800 0.136 0.000 1.005 520 F CA 0.171 58.254 58.000 0.137 0.000 1.029 520 F CB -1.792 37.282 39.000 0.123 0.000 1.151 520 F HN -0.048 nan 8.300 nan 0.000 0.805 521 V N 2.217 122.270 119.914 0.232 0.000 2.532 521 V HA 0.407 4.527 4.120 -0.001 0.000 0.295 521 V C 0.970 177.213 176.094 0.248 0.000 1.041 521 V CA -0.583 61.827 62.300 0.183 0.000 0.926 521 V CB 2.129 33.992 31.823 0.067 0.000 0.992 521 V HN 0.424 nan 8.190 nan 0.000 0.457 522 L N 1.989 123.328 121.223 0.192 0.000 2.966 522 L HA 0.152 4.492 4.340 -0.001 0.000 0.262 522 L C 0.891 177.860 176.870 0.165 0.000 1.165 522 L CA -0.043 54.930 54.840 0.222 0.000 0.978 522 L CB 0.539 42.586 42.059 -0.020 0.000 1.337 522 L HN 0.806 nan 8.230 nan 0.000 0.563 523 T N -0.934 113.670 114.554 0.084 0.000 2.704 523 T HA -0.022 4.327 4.350 -0.001 0.000 0.271 523 T C -1.732 173.004 174.700 0.060 0.000 1.000 523 T CA -0.905 61.223 62.100 0.046 0.000 1.216 523 T CB 0.198 69.071 68.868 0.009 0.000 0.961 523 T HN -0.061 nan 8.240 nan 0.000 0.515 524 P HA -0.153 nan 4.420 nan 0.000 0.217 524 P C 1.942 179.258 177.300 0.026 0.000 1.148 524 P CA 1.389 64.573 63.100 0.139 0.000 0.834 524 P CB -0.303 31.463 31.700 0.111 0.000 0.783 525 G N 0.275 109.068 108.800 -0.012 0.000 2.574 525 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.220 525 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.220 525 G C 1.479 176.282 174.900 -0.162 0.000 1.173 525 G CA 0.548 45.611 45.100 -0.061 0.000 0.772 525 G HN 0.272 nan 8.290 nan 0.000 0.585 526 R N -0.524 119.816 120.500 -0.267 0.000 2.346 526 R HA 0.089 4.428 4.340 -0.001 0.000 0.208 526 R C 0.605 176.342 176.300 -0.939 0.000 1.052 526 R CA 0.440 56.210 56.100 -0.550 0.000 1.116 526 R CB -0.117 29.812 30.300 -0.618 0.000 1.003 526 R HN 0.630 nan 8.270 nan 0.000 0.482 527 Y N -2.772 117.263 120.300 -0.441 0.000 2.460 527 Y HA -0.035 4.514 4.550 -0.001 0.000 0.276 527 Y C 1.769 177.349 175.900 -0.534 0.000 1.119 527 Y CA -0.257 57.504 58.100 -0.565 0.000 1.181 527 Y CB 0.497 38.553 38.460 -0.674 0.000 1.304 527 Y HN -0.134 nan 8.280 nan 0.000 0.536 528 V N -1.847 118.009 119.914 -0.096 0.000 3.541 528 V HA 0.562 4.681 4.120 -0.001 0.000 0.267 528 V C 1.129 177.217 176.094 -0.010 0.000 1.213 528 V CA 0.350 62.674 62.300 0.039 0.000 1.149 528 V CB -0.888 31.012 31.823 0.128 0.000 0.822 528 V HN 0.417 nan 8.190 nan 0.000 0.462 529 G N 0.000 108.731 108.800 -0.115 0.000 5.446 529 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 529 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 529 G CA 0.000 45.055 45.100 -0.074 0.000 0.502 529 G HN 0.000 nan 8.290 nan 0.000 0.925