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 1pfq_1_B DATA FIRST_RESID 36 DATA SEQUENCE TADSRKTYTL TDYLKNTYRL KLYSLRWISD HEYLYKQENN ILVFNAEYGN DATA SEQUENCE SSVFLENXXX XXXGHSINDY SISPDGQFIL LEYNYVKQWR HSYTASYDIY DATA SEQUENCE DLNKRQLITE ERIPNNTQWV TWSPVGHKLA YVWNNDIYVK IEPNLPSYRI DATA SEQUENCE TWTGKEDIIY NGITDWVYEE EVFSAYSALW WSPNGTFLAY AQFNDTEVPL DATA SEQUENCE IEYSFYSDES LQYPKTVRVP YPKAGAVNPT VKFFVVNTDS LSSVTNATSI DATA SEQUENCE QITAPASMLI GDHYLCDVTW ATQERISLQW LRRIQNYSVM DIcDYDESSG DATA SEQUENCE RWNcLVARQH IEMSTTGWVG RFRPSEPHFT LDGNSFYKII SNEEGYRHIc DATA SEQUENCE YFQIDKKDcT FITKGTWEVI GIEALTSDYL YYISNEYKGM PGGRNLYKIQ DATA SEQUENCE LSDYTKVTCL SCELNPERcQ YYSVSFSKEA KYYQLRcSGP GLPLYTLHSS DATA SEQUENCE VNDKGLRVLE DNSALDKMLQ NVQMPSKKLD FIILNETKFW YQMILPPHFD DATA SEQUENCE KSKKYPLLLD VYAGPCSQKA DTVFRLNWAT YLASTENIIV ASFDGRGSGY DATA SEQUENCE QGDKIMHAIN RRLGTFEVED QIEAARQFSK MGFVDNKRIA IWGWSYGGYV DATA SEQUENCE TSMVLGSGSG VFKcGIAVAP VSRWEYYDSV YTERYMGLPT PEDNLDHYRN DATA SEQUENCE STVMSRAENF KQVEYLLIHG TADDNVHFQQ SAQISKALVD VGVDFQAMWY DATA SEQUENCE TDEDHGIASS TAHQHIYTHM SHFIKQcFSL P 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 36 T HA 0.000 nan 4.350 nan 0.000 0.228 36 T C 0.000 174.676 174.700 -0.040 0.000 1.109 36 T CA 0.000 62.086 62.100 -0.024 0.000 1.349 36 T CB 0.000 68.852 68.868 -0.026 0.000 0.612 37 A N 1.628 124.422 122.820 -0.043 0.000 2.492 37 A HA 0.389 4.700 4.320 -0.014 0.000 0.236 37 A C 0.201 177.756 177.584 -0.047 0.000 1.078 37 A CA 0.157 52.154 52.037 -0.066 0.000 0.773 37 A CB 0.006 18.980 19.000 -0.043 0.000 1.023 37 A HN 0.329 nan 8.150 nan 0.000 0.504 38 D N 0.262 120.617 120.400 -0.074 0.000 2.458 38 D HA 0.176 4.808 4.640 -0.014 0.000 0.243 38 D C 0.999 177.337 176.300 0.064 0.000 1.146 38 D CA 1.141 55.153 54.000 0.020 0.000 0.877 38 D CB 0.572 41.459 40.800 0.144 0.000 1.176 38 D HN 0.481 nan 8.370 nan 0.000 0.461 39 S N 2.684 118.422 115.700 0.063 0.000 2.730 39 S HA 0.223 4.684 4.470 -0.014 0.000 0.244 39 S C 0.747 175.387 174.600 0.067 0.000 1.022 39 S CA -0.618 57.617 58.200 0.058 0.000 1.014 39 S CB 0.390 63.613 63.200 0.039 0.000 0.963 39 S HN 0.337 nan 8.310 nan 0.000 0.540 40 R N 2.637 123.186 120.500 0.081 0.000 2.784 40 R HA 0.203 4.535 4.340 -0.014 0.000 0.266 40 R C 0.463 176.813 176.300 0.083 0.000 1.044 40 R CA -0.106 56.041 56.100 0.079 0.000 1.151 40 R CB 0.456 30.805 30.300 0.081 0.000 1.037 40 R HN 0.543 nan 8.270 nan 0.000 0.478 41 K N 0.156 120.608 120.400 0.086 0.000 2.336 41 K HA 0.044 4.356 4.320 -0.014 0.000 0.262 41 K C -0.173 176.488 176.600 0.102 0.000 0.992 41 K CA -0.263 56.082 56.287 0.096 0.000 0.927 41 K CB 0.501 33.067 32.500 0.110 0.000 0.956 41 K HN 0.623 nan 8.250 nan 0.000 0.495 42 T N -1.117 113.504 114.554 0.112 0.000 2.881 42 T HA 0.118 4.459 4.350 -0.014 0.000 0.278 42 T C -0.562 174.245 174.700 0.179 0.000 0.982 42 T CA -0.790 61.387 62.100 0.129 0.000 0.989 42 T CB 0.476 69.418 68.868 0.124 0.000 1.058 42 T HN 0.546 nan 8.240 nan 0.000 0.529 43 Y N 1.349 121.692 120.300 0.073 0.000 2.584 43 Y HA 0.398 4.940 4.550 -0.014 0.000 0.351 43 Y C 0.767 176.799 175.900 0.219 0.000 1.030 43 Y CA 0.007 58.178 58.100 0.117 0.000 1.332 43 Y CB 0.089 38.573 38.460 0.040 0.000 1.148 43 Y HN 0.942 nan 8.280 nan 0.000 0.528 44 T N 5.006 119.507 114.554 -0.089 0.000 2.912 44 T HA 0.139 4.480 4.350 -0.014 0.000 0.280 44 T C 0.932 175.527 174.700 -0.176 0.000 0.989 44 T CA -0.739 61.378 62.100 0.028 0.000 0.995 44 T CB 0.991 69.864 68.868 0.009 0.000 1.077 44 T HN 0.766 nan 8.240 nan 0.000 0.531 45 L N 2.810 123.812 121.223 -0.369 0.000 2.046 45 L HA 0.024 4.355 4.340 -0.014 0.000 0.208 45 L C 2.539 179.280 176.870 -0.215 0.000 1.077 45 L CA 2.245 56.756 54.840 -0.547 0.000 0.747 45 L CB -1.211 40.379 42.059 -0.782 0.000 0.896 45 L HN 0.833 nan 8.230 nan 0.000 0.432 46 T N -0.485 113.965 114.554 -0.174 0.000 2.746 46 T HA -0.165 4.176 4.350 -0.014 0.000 0.267 46 T C 1.489 176.107 174.700 -0.137 0.000 1.039 46 T CA 1.410 63.434 62.100 -0.125 0.000 1.142 46 T CB -0.358 68.457 68.868 -0.088 0.000 0.866 46 T HN 0.404 nan 8.240 nan 0.000 0.444 47 D N 0.184 120.474 120.400 -0.183 0.000 2.133 47 D HA -0.132 4.499 4.640 -0.014 0.000 0.192 47 D C 1.640 177.856 176.300 -0.140 0.000 1.001 47 D CA 1.302 55.168 54.000 -0.224 0.000 0.844 47 D CB -0.462 40.080 40.800 -0.431 0.000 0.944 47 D HN 0.570 nan 8.370 nan 0.000 0.447 48 Y N 0.948 121.082 120.300 -0.277 0.000 2.200 48 Y HA -0.133 4.409 4.550 -0.014 0.000 0.290 48 Y C 2.277 178.174 175.900 -0.005 0.000 1.137 48 Y CA 1.126 59.215 58.100 -0.018 0.000 1.163 48 Y CB -0.137 38.359 38.460 0.059 0.000 0.988 48 Y HN -0.086 nan 8.280 nan 0.000 0.518 49 L N 0.253 121.310 121.223 -0.278 0.000 2.109 49 L HA -0.140 4.192 4.340 -0.014 0.000 0.207 49 L C 2.068 178.812 176.870 -0.211 0.000 1.086 49 L CA 1.319 55.965 54.840 -0.325 0.000 0.760 49 L CB -0.409 41.545 42.059 -0.175 0.000 0.910 49 L HN 0.149 nan 8.230 nan 0.000 0.437 50 K N 0.048 120.358 120.400 -0.150 0.000 2.459 50 K HA -0.003 4.308 4.320 -0.014 0.000 0.193 50 K C 0.126 176.662 176.600 -0.108 0.000 1.030 50 K CA 0.062 56.278 56.287 -0.119 0.000 1.026 50 K CB 0.003 32.439 32.500 -0.107 0.000 0.809 50 K HN 0.241 nan 8.250 nan 0.000 0.504 51 N N 0.459 119.103 118.700 -0.093 0.000 2.740 51 N HA -0.189 4.543 4.740 -0.014 0.000 0.248 51 N C 0.205 175.697 175.510 -0.029 0.000 1.062 51 N CA 0.367 53.404 53.050 -0.022 0.000 0.704 51 N CB -0.712 37.749 38.487 -0.044 0.000 0.968 51 N HN 0.098 nan 8.380 nan 0.000 0.547 52 T N -0.754 113.740 114.554 -0.100 0.000 2.759 52 T HA -0.181 4.160 4.350 -0.014 0.000 0.269 52 T C 0.201 174.687 174.700 -0.357 0.000 1.042 52 T CA 1.388 63.310 62.100 -0.297 0.000 1.140 52 T CB -0.112 68.452 68.868 -0.507 0.000 0.864 52 T HN 0.328 nan 8.240 nan 0.000 0.455 53 Y N 1.296 121.676 120.300 0.132 0.000 2.402 53 Y HA 0.513 5.055 4.550 -0.014 0.000 0.332 53 Y C 0.415 176.406 175.900 0.152 0.000 0.960 53 Y CA -1.251 56.947 58.100 0.162 0.000 1.228 53 Y CB 0.591 39.203 38.460 0.254 0.000 1.120 53 Y HN -0.273 nan 8.280 nan 0.000 0.491 54 R N 3.679 124.309 120.500 0.218 0.000 2.265 54 R HA 0.422 4.754 4.340 -0.014 0.000 0.319 54 R C -1.035 175.363 176.300 0.164 0.000 1.006 54 R CA -0.759 55.432 56.100 0.152 0.000 0.880 54 R CB 0.788 31.140 30.300 0.085 0.000 1.077 54 R HN 0.766 nan 8.270 nan 0.000 0.454 55 L N 4.878 126.199 121.223 0.163 0.000 2.281 55 L HA 0.303 4.634 4.340 -0.014 0.000 0.285 55 L C 0.747 177.686 176.870 0.116 0.000 1.074 55 L CA -0.048 54.889 54.840 0.161 0.000 0.817 55 L CB 0.719 42.893 42.059 0.193 0.000 1.168 55 L HN 0.248 nan 8.230 nan 0.000 0.434 56 K N 4.449 124.911 120.400 0.102 0.000 2.205 56 K HA 0.327 4.639 4.320 -0.014 0.000 0.279 56 K C 0.319 176.896 176.600 -0.038 0.000 1.027 56 K CA -0.331 55.981 56.287 0.043 0.000 0.932 56 K CB 1.520 34.050 32.500 0.050 0.000 1.032 56 K HN 0.582 nan 8.250 nan 0.000 0.466 57 L N 2.306 123.430 121.223 -0.164 0.000 2.858 57 L HA 0.136 4.468 4.340 -0.014 0.000 0.251 57 L C -0.159 176.286 176.870 -0.708 0.000 1.149 57 L CA -0.504 54.109 54.840 -0.377 0.000 0.955 57 L CB -0.004 42.016 42.059 -0.065 0.000 1.289 57 L HN 0.671 nan 8.230 nan 0.000 0.542 58 Y N 1.989 121.927 120.300 -0.603 0.000 2.993 58 Y HA -0.333 4.209 4.550 -0.014 0.000 0.202 58 Y C 0.620 176.340 175.900 -0.299 0.000 1.361 58 Y CA 0.244 58.078 58.100 -0.443 0.000 0.842 58 Y CB -0.593 37.460 38.460 -0.677 0.000 1.322 58 Y HN 0.122 nan 8.280 nan 0.000 0.368 59 S N 4.062 119.708 115.700 -0.090 0.000 2.465 59 S HA 0.606 5.068 4.470 -0.014 0.000 0.279 59 S C -0.572 174.010 174.600 -0.030 0.000 1.201 59 S CA -0.619 57.556 58.200 -0.041 0.000 1.053 59 S CB 0.020 63.209 63.200 -0.019 0.000 0.953 59 S HN 0.515 nan 8.310 nan 0.000 0.488 60 L N 2.844 124.013 121.223 -0.090 0.000 2.327 60 L HA 0.816 5.147 4.340 -0.014 0.000 0.258 60 L C -0.513 176.278 176.870 -0.132 0.000 1.024 60 L CA -1.127 53.622 54.840 -0.152 0.000 0.825 60 L CB 1.529 43.284 42.059 -0.507 0.000 1.386 60 L HN 0.556 nan 8.230 nan 0.000 0.417 61 R N 0.453 120.905 120.500 -0.081 0.000 2.473 61 R HA 0.483 4.814 4.340 -0.014 0.000 0.303 61 R C -1.762 174.556 176.300 0.030 0.000 1.002 61 R CA -0.356 55.753 56.100 0.014 0.000 0.884 61 R CB 0.828 31.186 30.300 0.098 0.000 1.173 61 R HN 0.738 nan 8.270 nan 0.000 0.464 62 W N 5.631 127.017 121.300 0.144 0.000 2.193 62 W HA 0.160 4.811 4.660 -0.014 0.000 0.338 62 W C 1.205 177.784 176.519 0.099 0.000 1.310 62 W CA -0.333 57.100 57.345 0.148 0.000 1.243 62 W CB 0.563 30.105 29.460 0.136 0.000 1.165 62 W HN 0.665 nan 8.180 nan 0.000 0.566 63 I N -0.399 120.356 120.570 0.308 0.000 4.403 63 I HA 0.302 4.464 4.170 -0.014 0.000 0.331 63 I C 0.718 176.886 176.117 0.085 0.000 1.327 63 I CA -0.082 61.300 61.300 0.136 0.000 1.175 63 I CB -0.028 37.980 38.000 0.014 0.000 1.165 63 I HN 0.274 nan 8.210 nan 0.000 0.413 64 S N -0.270 115.503 115.700 0.122 0.000 3.211 64 S HA 0.282 4.743 4.470 -0.014 0.000 0.320 64 S C 0.063 174.691 174.600 0.045 0.000 1.225 64 S CA 0.130 58.334 58.200 0.006 0.000 1.044 64 S CB 1.221 64.308 63.200 -0.188 0.000 1.410 64 S HN 0.113 nan 8.310 nan 0.000 0.640 65 D N -0.250 120.125 120.400 -0.042 0.000 2.333 65 D HA 0.109 4.740 4.640 -0.014 0.000 0.208 65 D C 1.268 177.723 176.300 0.259 0.000 0.984 65 D CA 1.027 55.069 54.000 0.072 0.000 0.873 65 D CB 0.052 40.932 40.800 0.134 0.000 0.935 65 D HN 0.678 nan 8.370 nan 0.000 0.521 66 H N -2.481 116.762 119.070 0.289 0.000 3.540 66 H HA 0.354 4.901 4.556 -0.014 0.000 0.259 66 H C -0.233 175.207 175.328 0.187 0.000 1.197 66 H CA -0.348 55.846 56.048 0.244 0.000 1.136 66 H CB 0.329 30.201 29.762 0.183 0.000 1.605 66 H HN 0.062 nan 8.280 nan 0.000 0.657 67 E N 0.969 121.239 120.200 0.117 0.000 2.272 67 E HA 0.407 4.748 4.350 -0.014 0.000 0.269 67 E C -1.616 175.061 176.600 0.127 0.000 0.877 67 E CA -1.047 55.383 56.400 0.051 0.000 0.755 67 E CB 2.701 32.363 29.700 -0.063 0.000 1.192 67 E HN 0.327 nan 8.360 nan 0.000 0.422 68 Y N 1.295 121.557 120.300 -0.063 0.000 2.638 68 Y HA 0.689 5.230 4.550 -0.014 0.000 0.339 68 Y C -1.739 174.108 175.900 -0.089 0.000 1.084 68 Y CA -1.340 56.630 58.100 -0.218 0.000 1.068 68 Y CB 1.024 38.998 38.460 -0.810 0.000 1.294 68 Y HN 0.385 nan 8.280 nan 0.000 0.480 69 L N 2.615 123.965 121.223 0.213 0.000 2.317 69 L HA 0.529 4.860 4.340 -0.014 0.000 0.281 69 L C -1.488 175.568 176.870 0.309 0.000 1.024 69 L CA -0.658 54.291 54.840 0.182 0.000 0.810 69 L CB 1.484 43.597 42.059 0.090 0.000 1.240 69 L HN 0.787 nan 8.230 nan 0.000 0.427 70 Y N 3.688 124.068 120.300 0.133 0.000 2.441 70 Y HA 0.341 4.883 4.550 -0.014 0.000 0.334 70 Y C -0.881 175.017 175.900 -0.003 0.000 1.061 70 Y CA -1.075 57.012 58.100 -0.022 0.000 1.032 70 Y CB 1.318 39.678 38.460 -0.166 0.000 1.266 70 Y HN 0.480 nan 8.280 nan 0.000 0.441 71 K N 5.076 125.040 120.400 -0.727 0.000 2.273 71 K HA 0.147 4.458 4.320 -0.014 0.000 0.287 71 K C -0.629 175.417 176.600 -0.923 0.000 1.089 71 K CA -0.419 55.509 56.287 -0.599 0.000 0.909 71 K CB 0.677 32.957 32.500 -0.366 0.000 1.123 71 K HN 0.589 nan 8.250 nan 0.000 0.473 72 Q N 4.466 123.969 119.800 -0.495 0.000 2.566 72 Q HA 0.047 4.378 4.340 -0.014 0.000 0.221 72 Q C -0.318 175.586 176.000 -0.161 0.000 1.195 72 Q CA 0.496 56.134 55.803 -0.276 0.000 0.967 72 Q CB 0.304 29.046 28.738 0.008 0.000 1.337 72 Q HN 0.917 nan 8.270 nan 0.000 0.553 73 E N 1.286 121.382 120.200 -0.172 0.000 3.302 73 E HA -0.360 3.982 4.350 -0.014 0.000 0.430 73 E C 0.386 176.924 176.600 -0.105 0.000 1.543 73 E CA 1.850 58.187 56.400 -0.106 0.000 1.197 73 E CB -0.868 28.798 29.700 -0.057 0.000 1.429 73 E HN 0.607 nan 8.360 nan 0.000 0.455 74 N N 1.738 120.390 118.700 -0.080 0.000 2.422 74 N HA 0.043 4.774 4.740 -0.014 0.000 0.181 74 N C -0.129 175.332 175.510 -0.083 0.000 1.080 74 N CA 0.468 53.475 53.050 -0.071 0.000 0.893 74 N CB 0.015 38.469 38.487 -0.056 0.000 0.973 74 N HN 0.186 nan 8.380 nan 0.000 0.456 75 N N 0.587 119.229 118.700 -0.097 0.000 2.335 75 N HA 0.388 5.119 4.740 -0.014 0.000 0.304 75 N C -0.505 174.939 175.510 -0.110 0.000 1.135 75 N CA -0.429 52.561 53.050 -0.099 0.000 0.817 75 N CB 2.038 40.479 38.487 -0.077 0.000 1.294 75 N HN -0.086 nan 8.380 nan 0.000 0.497 76 I N 1.965 122.476 120.570 -0.097 0.000 2.307 76 I HA 0.271 4.433 4.170 -0.014 0.000 0.289 76 I C -0.023 176.122 176.117 0.047 0.000 1.021 76 I CA -0.412 60.866 61.300 -0.036 0.000 1.224 76 I CB 0.537 38.521 38.000 -0.026 0.000 1.376 76 I HN 0.162 nan 8.210 nan 0.000 0.470 77 L N 6.435 127.708 121.223 0.082 0.000 2.360 77 L HA 0.563 4.894 4.340 -0.014 0.000 0.271 77 L C -0.223 176.695 176.870 0.080 0.000 1.057 77 L CA -1.019 53.858 54.840 0.061 0.000 0.803 77 L CB 1.708 43.807 42.059 0.066 0.000 1.207 77 L HN 0.233 nan 8.230 nan 0.000 0.445 78 V N 1.966 121.823 119.914 -0.094 0.000 2.435 78 V HA 0.416 4.527 4.120 -0.014 0.000 0.290 78 V C -0.376 175.512 176.094 -0.343 0.000 1.030 78 V CA -0.275 61.930 62.300 -0.159 0.000 0.881 78 V CB 1.488 33.191 31.823 -0.200 0.000 0.983 78 V HN 0.384 nan 8.190 nan 0.000 0.445 79 F N 2.632 122.285 119.950 -0.495 0.000 2.575 79 F HA 0.492 5.010 4.527 -0.014 0.000 0.330 79 F C 0.475 175.992 175.800 -0.472 0.000 1.056 79 F CA -0.637 57.022 58.000 -0.568 0.000 0.964 79 F CB 1.643 40.042 39.000 -1.002 0.000 1.258 79 F HN 0.387 nan 8.300 nan 0.000 0.484 80 N N 0.878 119.531 118.700 -0.078 0.000 2.408 80 N HA 0.374 5.106 4.740 -0.014 0.000 0.280 80 N C 0.104 175.574 175.510 -0.065 0.000 1.002 80 N CA 0.062 53.097 53.050 -0.026 0.000 0.907 80 N CB 1.982 40.524 38.487 0.092 0.000 1.161 80 N HN 0.766 nan 8.380 nan 0.000 0.488 81 A N 3.733 126.452 122.820 -0.168 0.000 1.874 81 A HA -0.089 4.223 4.320 -0.014 0.000 0.214 81 A C 1.828 179.109 177.584 -0.504 0.000 1.189 81 A CA 1.172 52.959 52.037 -0.416 0.000 0.615 81 A CB -0.583 17.842 19.000 -0.959 0.000 0.830 81 A HN 0.878 nan 8.150 nan 0.000 0.443 82 E N -1.440 118.458 120.200 -0.504 0.000 2.049 82 E HA -0.207 4.135 4.350 -0.014 0.000 0.198 82 E C 0.828 177.168 176.600 -0.434 0.000 1.007 82 E CA 1.727 57.862 56.400 -0.441 0.000 0.809 82 E CB -0.155 29.076 29.700 -0.782 0.000 0.749 82 E HN 0.707 nan 8.360 nan 0.000 0.450 83 Y N -2.114 118.182 120.300 -0.007 0.000 3.252 83 Y HA 0.533 5.074 4.550 -0.014 0.000 0.369 83 Y C 1.558 177.462 175.900 0.007 0.000 1.223 83 Y CA -0.115 57.986 58.100 0.002 0.000 1.036 83 Y CB -0.013 38.444 38.460 -0.005 0.000 1.152 83 Y HN -0.042 nan 8.280 nan 0.000 0.885 84 G N -0.577 108.362 108.800 0.232 0.000 4.517 84 G HA2 0.048 4.000 3.960 -0.014 0.000 0.258 84 G HA3 0.048 4.000 3.960 -0.014 0.000 0.258 84 G C -1.003 173.967 174.900 0.117 0.000 1.038 84 G CA -0.551 44.648 45.100 0.165 0.000 0.810 84 G HN 0.395 nan 8.290 nan 0.000 0.383 85 N N 2.119 120.863 118.700 0.074 0.000 2.447 85 N HA 0.196 4.928 4.740 -0.014 0.000 0.263 85 N C 0.135 175.537 175.510 -0.181 0.000 1.226 85 N CA 0.434 53.459 53.050 -0.041 0.000 0.906 85 N CB 1.386 39.851 38.487 -0.036 0.000 1.060 85 N HN 0.269 nan 8.380 nan 0.000 0.468 86 S N 0.702 116.194 115.700 -0.347 0.000 2.621 86 S HA 0.753 5.215 4.470 -0.014 0.000 0.302 86 S C -0.448 173.918 174.600 -0.391 0.000 1.093 86 S CA -0.799 56.994 58.200 -0.679 0.000 1.017 86 S CB 1.656 64.052 63.200 -1.340 0.000 1.077 86 S HN 0.499 nan 8.310 nan 0.000 0.517 87 S N 0.523 116.011 115.700 -0.353 0.000 2.569 87 S HA 0.539 5.000 4.470 -0.014 0.000 0.280 87 S C -0.750 173.759 174.600 -0.151 0.000 1.111 87 S CA -0.801 57.281 58.200 -0.197 0.000 0.887 87 S CB 1.593 64.718 63.200 -0.126 0.000 1.095 87 S HN 0.715 nan 8.310 nan 0.000 0.476 88 V N 3.185 123.042 119.914 -0.094 0.000 2.521 88 V HA 0.153 4.264 4.120 -0.014 0.000 0.286 88 V C 0.435 176.539 176.094 0.017 0.000 1.034 88 V CA 0.347 62.614 62.300 -0.055 0.000 1.045 88 V CB 0.097 31.878 31.823 -0.071 0.000 0.974 88 V HN 0.972 nan 8.190 nan 0.000 0.480 89 F N 5.467 125.333 119.950 -0.140 0.000 2.298 89 F HA 0.413 4.931 4.527 -0.014 0.000 0.282 89 F C 0.539 176.238 175.800 -0.167 0.000 1.045 89 F CA 0.260 58.175 58.000 -0.141 0.000 1.280 89 F CB 0.574 39.492 39.000 -0.136 0.000 1.114 89 F HN 0.243 nan 8.300 nan 0.000 0.546 90 L N 1.710 122.654 121.223 -0.465 0.000 2.404 90 L HA 0.366 4.698 4.340 -0.014 0.000 0.272 90 L C -1.072 175.618 176.870 -0.300 0.000 0.980 90 L CA -0.510 54.001 54.840 -0.549 0.000 0.836 90 L CB 1.870 43.432 42.059 -0.827 0.000 1.238 90 L HN 0.057 nan 8.230 nan 0.000 0.408 91 E N 5.223 125.285 120.200 -0.230 0.000 2.166 91 E HA 0.272 4.613 4.350 -0.014 0.000 0.275 91 E C -0.295 176.225 176.600 -0.132 0.000 0.941 91 E CA -0.483 55.827 56.400 -0.151 0.000 0.784 91 E CB 1.055 30.684 29.700 -0.118 0.000 1.115 91 E HN 0.701 nan 8.360 nan 0.000 0.399 100 H N 0.426 119.426 119.070 -0.117 0.000 2.552 100 H HA 0.866 5.413 4.556 -0.014 0.000 0.311 100 H C 0.556 175.834 175.328 -0.083 0.000 1.071 100 H CA 0.349 56.314 56.048 -0.139 0.000 1.307 100 H CB 0.510 30.022 29.762 -0.417 0.000 1.416 100 H HN 1.058 nan 8.280 nan 0.000 0.464 101 S N 2.514 118.200 115.700 -0.023 0.000 2.481 101 S HA 0.456 4.917 4.470 -0.014 0.000 0.282 101 S C 0.400 174.990 174.600 -0.016 0.000 1.243 101 S CA -0.215 57.976 58.200 -0.015 0.000 1.078 101 S CB -0.693 62.509 63.200 0.003 0.000 0.916 101 S HN 0.700 nan 8.310 nan 0.000 0.495 102 I N 3.009 123.540 120.570 -0.064 0.000 2.371 102 I HA 0.166 4.327 4.170 -0.014 0.000 0.290 102 I C 1.297 177.321 176.117 -0.154 0.000 1.028 102 I CA -0.356 60.857 61.300 -0.145 0.000 1.345 102 I CB 1.542 39.346 38.000 -0.326 0.000 1.407 102 I HN 0.812 nan 8.210 nan 0.000 0.501 103 N N 3.103 121.709 118.700 -0.157 0.000 2.368 103 N HA -0.036 4.696 4.740 -0.014 0.000 0.176 103 N C -0.344 175.054 175.510 -0.186 0.000 1.021 103 N CA 0.770 53.705 53.050 -0.192 0.000 0.888 103 N CB 0.415 38.749 38.487 -0.255 0.000 0.995 103 N HN 0.714 nan 8.380 nan 0.000 0.437 104 D N -2.183 118.093 120.400 -0.207 0.000 2.685 104 D HA 0.197 4.829 4.640 -0.014 0.000 0.236 104 D C -1.835 174.357 176.300 -0.180 0.000 1.233 104 D CA -0.518 53.417 54.000 -0.108 0.000 0.760 104 D CB 0.405 41.191 40.800 -0.024 0.000 1.410 104 D HN -0.030 nan 8.370 nan 0.000 0.439 105 Y N 0.352 120.724 120.300 0.120 0.000 2.446 105 Y HA 0.616 5.158 4.550 -0.014 0.000 0.338 105 Y C 0.205 176.242 175.900 0.228 0.000 1.055 105 Y CA -0.737 57.472 58.100 0.182 0.000 1.101 105 Y CB 2.433 40.996 38.460 0.172 0.000 1.221 105 Y HN 0.207 nan 8.280 nan 0.000 0.460 106 S N 3.569 119.545 115.700 0.460 0.000 2.720 106 S HA 0.594 5.055 4.470 -0.014 0.000 0.278 106 S C -1.273 173.672 174.600 0.574 0.000 1.172 106 S CA -0.504 57.976 58.200 0.466 0.000 1.019 106 S CB 0.095 63.559 63.200 0.441 0.000 1.049 106 S HN 0.580 nan 8.310 nan 0.000 0.483 107 I N 3.382 124.140 120.570 0.313 0.000 2.440 107 I HA 0.351 4.513 4.170 -0.014 0.000 0.294 107 I C 0.892 176.768 176.117 -0.402 0.000 0.995 107 I CA -0.501 60.837 61.300 0.062 0.000 1.306 107 I CB 1.806 39.819 38.000 0.023 0.000 1.407 107 I HN 0.620 nan 8.210 nan 0.000 0.501 108 S N 6.038 121.160 115.700 -0.963 0.000 2.572 108 S HA 0.205 4.667 4.470 -0.014 0.000 0.279 108 S C -1.608 172.681 174.600 -0.519 0.000 1.341 108 S CA -1.044 56.369 58.200 -1.311 0.000 1.043 108 S CB 0.833 63.180 63.200 -1.423 0.000 0.887 108 S HN 0.377 nan 8.310 nan 0.000 0.516 109 P HA -0.027 nan 4.420 nan 0.000 0.228 109 P C 0.314 177.515 177.300 -0.165 0.000 1.151 109 P CA 0.827 63.817 63.100 -0.183 0.000 0.770 109 P CB -0.057 31.569 31.700 -0.123 0.000 0.786 110 D N -2.361 117.919 120.400 -0.201 0.000 2.398 110 D HA 0.135 4.766 4.640 -0.014 0.000 0.210 110 D C 1.326 177.526 176.300 -0.166 0.000 1.094 110 D CA 0.167 54.066 54.000 -0.168 0.000 0.839 110 D CB -0.794 39.893 40.800 -0.189 0.000 0.963 110 D HN 0.113 nan 8.370 nan 0.000 0.506 111 G N 0.762 109.449 108.800 -0.188 0.000 2.148 111 G HA2 -0.361 3.591 3.960 -0.014 0.000 0.254 111 G HA3 -0.361 3.591 3.960 -0.014 0.000 0.254 111 G C 0.798 175.592 174.900 -0.178 0.000 0.981 111 G CA 0.657 45.661 45.100 -0.160 0.000 0.670 111 G HN 0.492 nan 8.290 nan 0.000 0.528 112 Q N -1.616 118.029 119.800 -0.258 0.000 2.350 112 Q HA 0.469 4.801 4.340 -0.014 0.000 0.225 112 Q C 0.198 175.735 176.000 -0.772 0.000 0.878 112 Q CA 0.446 55.950 55.803 -0.498 0.000 0.935 112 Q CB 0.823 29.208 28.738 -0.589 0.000 1.099 112 Q HN 0.524 nan 8.270 nan 0.000 0.527 113 F N 0.065 119.991 119.950 -0.040 0.000 2.613 113 F HA 0.569 5.088 4.527 -0.014 0.000 0.314 113 F C -0.709 175.145 175.800 0.091 0.000 1.075 113 F CA -1.240 56.802 58.000 0.071 0.000 0.945 113 F CB 1.906 41.003 39.000 0.162 0.000 1.310 113 F HN -0.197 nan 8.300 nan 0.000 0.467 114 I N 2.326 123.205 120.570 0.514 0.000 2.582 114 I HA 0.488 4.649 4.170 -0.014 0.000 0.292 114 I C -1.668 174.844 176.117 0.657 0.000 1.066 114 I CA -0.675 60.948 61.300 0.537 0.000 1.053 114 I CB 1.703 39.959 38.000 0.428 0.000 1.241 114 I HN 0.483 nan 8.210 nan 0.000 0.421 115 L N 7.209 128.851 121.223 0.699 0.000 2.325 115 L HA 0.486 4.817 4.340 -0.014 0.000 0.279 115 L C -1.294 175.819 176.870 0.405 0.000 1.054 115 L CA -0.833 54.297 54.840 0.482 0.000 0.804 115 L CB 1.465 43.704 42.059 0.299 0.000 1.200 115 L HN 0.436 nan 8.230 nan 0.000 0.436 116 L N 1.641 123.057 121.223 0.322 0.000 2.381 116 L HA 0.514 4.846 4.340 -0.014 0.000 0.274 116 L C -0.448 176.481 176.870 0.099 0.000 0.988 116 L CA -0.742 54.164 54.840 0.110 0.000 0.824 116 L CB 1.512 43.565 42.059 -0.010 0.000 1.263 116 L HN 0.506 nan 8.230 nan 0.000 0.410 117 E N 2.142 122.303 120.200 -0.066 0.000 2.216 117 E HA 0.636 4.977 4.350 -0.014 0.000 0.279 117 E C -1.209 175.327 176.600 -0.106 0.000 0.997 117 E CA -0.670 55.507 56.400 -0.371 0.000 0.817 117 E CB 1.432 30.864 29.700 -0.446 0.000 1.096 117 E HN 0.634 nan 8.360 nan 0.000 0.393 118 Y N -0.134 120.002 120.300 -0.274 0.000 2.889 118 Y HA 0.438 4.979 4.550 -0.014 0.000 0.317 118 Y C -0.459 175.392 175.900 -0.081 0.000 1.414 118 Y CA -2.013 56.006 58.100 -0.134 0.000 1.091 118 Y CB 0.121 38.515 38.460 -0.110 0.000 1.358 118 Y HN 0.697 nan 8.280 nan 0.000 0.487 119 N N -0.460 118.273 118.700 0.055 0.000 2.705 119 N HA -0.328 4.404 4.740 -0.014 0.000 0.255 119 N C -1.570 173.925 175.510 -0.025 0.000 1.008 119 N CA 0.568 53.603 53.050 -0.025 0.000 0.742 119 N CB -1.089 37.296 38.487 -0.171 0.000 0.906 119 N HN 0.620 nan 8.380 nan 0.000 0.541 120 Y N 0.517 120.785 120.300 -0.053 0.000 2.359 120 Y HA 0.393 4.934 4.550 -0.014 0.000 0.334 120 Y C -0.157 175.753 175.900 0.018 0.000 1.058 120 Y CA -0.314 57.783 58.100 -0.004 0.000 1.244 120 Y CB 0.785 39.250 38.460 0.009 0.000 1.187 120 Y HN -0.062 nan 8.280 nan 0.000 0.510 121 V N 7.883 127.562 119.914 -0.391 0.000 2.409 121 V HA 0.212 4.324 4.120 -0.014 0.000 0.290 121 V C -0.330 175.510 176.094 -0.424 0.000 1.017 121 V CA -1.375 60.755 62.300 -0.284 0.000 0.841 121 V CB 1.343 33.057 31.823 -0.181 0.000 1.003 121 V HN 0.706 nan 8.190 nan 0.000 0.426 122 K N 3.609 123.844 120.400 -0.276 0.000 2.401 122 K HA 0.189 4.500 4.320 -0.014 0.000 0.278 122 K C 0.457 176.926 176.600 -0.218 0.000 1.018 122 K CA 0.260 56.440 56.287 -0.178 0.000 0.981 122 K CB 1.097 33.627 32.500 0.049 0.000 0.933 122 K HN 0.802 nan 8.250 nan 0.000 0.477 123 Q N 3.039 122.672 119.800 -0.278 0.000 2.679 123 Q HA 0.176 4.508 4.340 -0.014 0.000 0.255 123 Q C -0.035 175.740 176.000 -0.375 0.000 1.053 123 Q CA -0.219 55.249 55.803 -0.558 0.000 0.620 123 Q CB 0.077 28.341 28.738 -0.790 0.000 3.775 123 Q HN 0.706 nan 8.270 nan 0.000 0.446 124 W N -0.021 121.279 121.300 -0.000 0.000 1.836 124 W HA 0.358 5.009 4.660 -0.015 0.000 0.628 124 W C 1.814 178.323 176.519 -0.016 0.000 1.626 124 W CA -0.728 56.641 57.345 0.039 0.000 1.714 124 W CB -0.149 29.302 29.460 -0.016 0.000 3.166 124 W HN 0.272 nan 8.180 nan 0.000 0.772 125 R N -0.567 120.044 120.500 0.185 0.000 2.092 125 R HA -0.131 4.200 4.340 -0.014 0.000 0.231 125 R C 1.463 177.630 176.300 -0.221 0.000 1.119 125 R CA 2.058 58.101 56.100 -0.094 0.000 0.970 125 R CB -0.359 29.749 30.300 -0.320 0.000 0.864 125 R HN 0.563 nan 8.270 nan 0.000 0.440 126 H N -1.466 117.687 119.070 0.139 0.000 3.017 126 H HA 0.206 4.754 4.556 -0.014 0.000 0.255 126 H C 0.175 175.608 175.328 0.175 0.000 0.990 126 H CA 0.186 56.333 56.048 0.165 0.000 1.205 126 H CB 0.710 30.572 29.762 0.166 0.000 1.460 126 H HN 0.122 nan 8.280 nan 0.000 0.478 127 S N 1.226 116.953 115.700 0.044 0.000 2.580 127 S HA 0.343 4.805 4.470 -0.014 0.000 0.274 127 S C -0.612 173.938 174.600 -0.083 0.000 1.329 127 S CA -0.675 57.271 58.200 -0.422 0.000 1.036 127 S CB 0.702 63.201 63.200 -1.169 0.000 0.919 127 S HN 0.394 nan 8.310 nan 0.000 0.515 128 Y N -1.661 118.493 120.300 -0.243 0.000 2.638 128 Y HA 0.782 5.324 4.550 -0.014 0.000 0.335 128 Y C -0.615 175.223 175.900 -0.104 0.000 1.155 128 Y CA -1.155 56.791 58.100 -0.258 0.000 1.046 128 Y CB 0.609 38.898 38.460 -0.284 0.000 1.303 128 Y HN 0.838 nan 8.280 nan 0.000 0.460 129 T N -0.268 114.080 114.554 -0.344 0.000 2.932 129 T HA 1.011 5.353 4.350 -0.014 0.000 0.289 129 T C -0.564 174.014 174.700 -0.205 0.000 1.039 129 T CA -0.204 61.708 62.100 -0.314 0.000 1.024 129 T CB 1.710 70.471 68.868 -0.179 0.000 1.090 129 T HN 1.793 nan 8.240 nan 0.000 0.496 130 A N 0.921 123.656 122.820 -0.141 0.000 2.608 130 A HA 0.724 5.035 4.320 -0.014 0.000 0.292 130 A C -0.503 176.871 177.584 -0.349 0.000 1.066 130 A CA -1.008 50.896 52.037 -0.221 0.000 0.676 130 A CB 1.104 19.989 19.000 -0.192 0.000 1.277 130 A HN 0.877 nan 8.150 nan 0.000 0.413 131 S N -0.118 115.194 115.700 -0.647 0.000 2.585 131 S HA 0.714 5.175 4.470 -0.014 0.000 0.277 131 S C -1.263 172.796 174.600 -0.901 0.000 1.241 131 S CA -0.001 57.760 58.200 -0.731 0.000 1.041 131 S CB 0.415 62.994 63.200 -1.036 0.000 0.987 131 S HN 0.444 nan 8.310 nan 0.000 0.512 132 Y N 0.240 120.351 120.300 -0.315 0.000 2.425 132 Y HA 0.440 4.981 4.550 -0.014 0.000 0.344 132 Y C -0.072 175.812 175.900 -0.026 0.000 0.969 132 Y CA -0.872 57.153 58.100 -0.125 0.000 1.052 132 Y CB 1.673 40.025 38.460 -0.181 0.000 1.215 132 Y HN 0.517 nan 8.280 nan 0.000 0.451 133 D N 3.325 123.875 120.400 0.250 0.000 2.481 133 D HA 0.522 5.154 4.640 -0.014 0.000 0.244 133 D C -0.774 175.591 176.300 0.109 0.000 1.057 133 D CA -0.332 53.733 54.000 0.107 0.000 0.848 133 D CB 2.594 43.430 40.800 0.060 0.000 1.388 133 D HN 0.420 nan 8.370 nan 0.000 0.475 134 I N 1.690 122.269 120.570 0.015 0.000 2.437 134 I HA 0.317 4.478 4.170 -0.014 0.000 0.298 134 I C -0.556 175.583 176.117 0.037 0.000 0.984 134 I CA -0.718 60.662 61.300 0.133 0.000 1.214 134 I CB 0.910 38.989 38.000 0.131 0.000 1.365 134 I HN 0.189 nan 8.210 nan 0.000 0.469 135 Y N 2.519 122.975 120.300 0.260 0.000 2.528 135 Y HA 0.335 4.877 4.550 -0.014 0.000 0.335 135 Y C 0.349 176.421 175.900 0.288 0.000 1.093 135 Y CA -0.720 57.512 58.100 0.220 0.000 1.134 135 Y CB 1.180 39.736 38.460 0.160 0.000 1.253 135 Y HN 0.486 nan 8.280 nan 0.000 0.478 136 D N 1.196 121.815 120.400 0.365 0.000 2.358 136 D HA 0.196 4.828 4.640 -0.014 0.000 0.244 136 D C 0.050 176.402 176.300 0.087 0.000 1.163 136 D CA 0.147 54.255 54.000 0.179 0.000 0.945 136 D CB 1.299 42.161 40.800 0.103 0.000 1.152 136 D HN 0.504 nan 8.370 nan 0.000 0.451 137 L N 1.652 122.827 121.223 -0.081 0.000 3.014 137 L HA 0.120 4.452 4.340 -0.014 0.000 0.263 137 L C 1.064 177.891 176.870 -0.071 0.000 1.207 137 L CA -0.094 54.718 54.840 -0.046 0.000 1.017 137 L CB 0.055 42.077 42.059 -0.062 0.000 1.360 137 L HN 0.169 nan 8.230 nan 0.000 0.560 138 N N 0.412 119.065 118.700 -0.078 0.000 2.571 138 N HA 0.114 4.845 4.740 -0.014 0.000 0.195 138 N C 0.151 175.653 175.510 -0.014 0.000 1.040 138 N CA 0.571 53.590 53.050 -0.050 0.000 0.890 138 N CB 0.611 39.060 38.487 -0.064 0.000 1.233 138 N HN 0.128 nan 8.380 nan 0.000 0.435 139 K N 1.166 121.571 120.400 0.008 0.000 2.575 139 K HA 0.302 4.614 4.320 -0.014 0.000 0.236 139 K C -0.515 176.127 176.600 0.071 0.000 0.976 139 K CA -0.585 55.721 56.287 0.031 0.000 0.985 139 K CB 2.179 34.699 32.500 0.034 0.000 1.198 139 K HN -0.192 nan 8.250 nan 0.000 0.464 140 R N 2.790 123.324 120.500 0.055 0.000 4.418 140 R HA -0.159 4.172 4.340 -0.014 0.000 0.152 140 R C -0.463 175.968 176.300 0.217 0.000 1.972 140 R CA 0.723 56.871 56.100 0.080 0.000 1.476 140 R CB -0.623 29.659 30.300 -0.031 0.000 1.239 140 R HN 0.482 nan 8.270 nan 0.000 0.707 141 Q N 1.161 121.137 119.800 0.294 0.000 2.340 141 Q HA 0.262 4.593 4.340 -0.014 0.000 0.268 141 Q C -1.122 174.985 176.000 0.179 0.000 1.031 141 Q CA -0.933 55.029 55.803 0.265 0.000 0.804 141 Q CB 1.319 30.132 28.738 0.125 0.000 1.286 141 Q HN 0.399 nan 8.270 nan 0.000 0.448 142 L N 5.107 126.285 121.223 -0.076 0.000 2.410 142 L HA 0.266 4.598 4.340 -0.014 0.000 0.273 142 L C -0.401 176.322 176.870 -0.245 0.000 1.144 142 L CA -0.096 54.369 54.840 -0.626 0.000 0.863 142 L CB 0.446 42.081 42.059 -0.706 0.000 1.140 142 L HN 0.678 nan 8.230 nan 0.000 0.463 143 I N 4.944 125.392 120.570 -0.204 0.000 2.517 143 I HA -0.020 4.142 4.170 -0.014 0.000 0.285 143 I C 1.114 177.167 176.117 -0.105 0.000 1.106 143 I CA 0.134 61.381 61.300 -0.088 0.000 1.402 143 I CB 1.036 39.009 38.000 -0.045 0.000 1.399 143 I HN 0.712 nan 8.210 nan 0.000 0.535 144 T N 4.599 119.109 114.554 -0.073 0.000 3.031 144 T HA -0.010 4.331 4.350 -0.014 0.000 0.254 144 T C 1.386 176.045 174.700 -0.069 0.000 1.060 144 T CA 0.596 62.654 62.100 -0.070 0.000 1.135 144 T CB 0.140 68.979 68.868 -0.048 0.000 0.896 144 T HN 0.637 nan 8.240 nan 0.000 0.472 145 E N 1.361 121.524 120.200 -0.062 0.000 2.110 145 E HA 0.066 4.408 4.350 -0.014 0.000 0.220 145 E C 0.443 176.992 176.600 -0.086 0.000 0.893 145 E CA 0.184 56.546 56.400 -0.062 0.000 1.027 145 E CB -0.219 29.454 29.700 -0.045 0.000 1.017 145 E HN 0.094 nan 8.360 nan 0.000 0.522 146 E N 2.069 122.216 120.200 -0.087 0.000 2.222 146 E HA 0.105 4.447 4.350 -0.014 0.000 0.312 146 E C -0.517 175.993 176.600 -0.152 0.000 1.263 146 E CA 0.074 56.410 56.400 -0.108 0.000 1.356 146 E CB -0.262 29.390 29.700 -0.080 0.000 1.180 146 E HN 0.175 nan 8.360 nan 0.000 0.494 147 R N 0.923 121.317 120.500 -0.176 0.000 2.390 147 R HA 0.311 4.642 4.340 -0.014 0.000 0.291 147 R C 0.652 176.756 176.300 -0.326 0.000 1.070 147 R CA -0.646 55.328 56.100 -0.210 0.000 1.014 147 R CB 0.986 31.185 30.300 -0.168 0.000 1.007 147 R HN 0.231 nan 8.270 nan 0.000 0.466 148 I N 4.832 125.165 120.570 -0.396 0.000 2.821 148 I HA -0.074 4.088 4.170 -0.014 0.000 0.294 148 I C -1.716 174.059 176.117 -0.570 0.000 1.210 148 I CA -1.088 59.819 61.300 -0.655 0.000 1.430 148 I CB -0.033 37.585 38.000 -0.638 0.000 1.356 148 I HN 0.257 nan 8.210 nan 0.000 0.563 149 P HA 0.004 nan 4.420 nan 0.000 0.268 149 P C -0.547 176.504 177.300 -0.415 0.000 1.208 149 P CA -0.052 62.614 63.100 -0.723 0.000 0.777 149 P CB 0.334 31.143 31.700 -1.485 0.000 0.875 150 N N 2.547 121.103 118.700 -0.241 0.000 2.371 150 N HA -0.014 4.718 4.740 -0.014 0.000 0.243 150 N C 0.358 175.894 175.510 0.044 0.000 1.287 150 N CA 0.186 53.167 53.050 -0.116 0.000 0.911 150 N CB -0.041 38.392 38.487 -0.089 0.000 1.142 150 N HN 0.437 nan 8.380 nan 0.000 0.451 151 N N -0.920 117.805 118.700 0.041 0.000 2.776 151 N HA -0.141 4.590 4.740 -0.014 0.000 0.250 151 N C -0.769 174.884 175.510 0.240 0.000 1.112 151 N CA 0.803 53.920 53.050 0.111 0.000 0.733 151 N CB -1.764 36.820 38.487 0.161 0.000 1.097 151 N HN 0.497 nan 8.380 nan 0.000 0.558 152 T N 0.651 115.322 114.554 0.194 0.000 2.918 152 T HA 0.179 4.520 4.350 -0.014 0.000 0.302 152 T C 1.654 176.410 174.700 0.093 0.000 1.045 152 T CA 0.126 62.358 62.100 0.221 0.000 1.114 152 T CB 1.321 70.230 68.868 0.067 0.000 0.965 152 T HN 0.170 nan 8.240 nan 0.000 0.540 153 Q N 0.904 120.773 119.800 0.115 0.000 2.402 153 Q HA 0.212 4.543 4.340 -0.014 0.000 0.231 153 Q C -0.085 175.992 176.000 0.128 0.000 0.888 153 Q CA 0.034 55.879 55.803 0.071 0.000 0.938 153 Q CB 1.234 30.088 28.738 0.194 0.000 1.086 153 Q HN 0.694 nan 8.270 nan 0.000 0.543 154 W N 0.350 121.616 121.300 -0.058 0.000 3.479 154 W HA 0.496 5.147 4.660 -0.015 0.000 0.304 154 W C -2.213 174.304 176.519 -0.004 0.000 1.243 154 W CA -0.583 56.788 57.345 0.044 0.000 1.202 154 W CB 1.403 30.845 29.460 -0.029 0.000 1.346 154 W HN -0.349 nan 8.180 nan 0.000 0.539 155 V N 3.216 122.626 119.914 -0.840 0.000 2.925 155 V HA 0.698 4.809 4.120 -0.014 0.000 0.311 155 V C -0.515 175.059 176.094 -0.866 0.000 1.104 155 V CA -0.616 61.228 62.300 -0.761 0.000 0.954 155 V CB 2.009 33.231 31.823 -1.000 0.000 1.022 155 V HN 0.476 nan 8.190 nan 0.000 0.427 156 T N 2.926 117.246 114.554 -0.391 0.000 3.395 156 T HA 0.420 4.762 4.350 -0.014 0.000 0.330 156 T C -1.258 173.465 174.700 0.038 0.000 1.076 156 T CA -0.361 61.685 62.100 -0.090 0.000 1.070 156 T CB 0.486 69.554 68.868 0.333 0.000 1.119 156 T HN 0.510 nan 8.240 nan 0.000 0.462 157 W N 3.574 124.894 121.300 0.033 0.000 2.148 157 W HA 0.371 5.023 4.660 -0.014 0.000 0.347 157 W C 1.409 177.680 176.519 -0.412 0.000 1.288 157 W CA -0.451 56.828 57.345 -0.108 0.000 1.252 157 W CB 0.477 29.901 29.460 -0.061 0.000 1.156 157 W HN 0.773 nan 8.180 nan 0.000 0.580 158 S N 1.726 117.040 115.700 -0.645 0.000 2.593 158 S HA 0.178 4.639 4.470 -0.014 0.000 0.269 158 S C -1.683 172.703 174.600 -0.356 0.000 1.334 158 S CA -1.034 56.470 58.200 -1.159 0.000 1.015 158 S CB 1.212 63.659 63.200 -1.255 0.000 0.912 158 S HN 0.280 nan 8.310 nan 0.000 0.541 159 P HA 0.043 nan 4.420 nan 0.000 0.220 159 P C 0.402 177.664 177.300 -0.065 0.000 1.148 159 P CA 0.877 63.953 63.100 -0.040 0.000 0.803 159 P CB -0.227 31.490 31.700 0.028 0.000 0.782 160 V N -6.704 113.140 119.914 -0.116 0.000 3.141 160 V HA 0.895 5.007 4.120 -0.014 0.000 0.312 160 V C 0.351 176.358 176.094 -0.145 0.000 1.157 160 V CA -0.419 61.814 62.300 -0.112 0.000 1.041 160 V CB 0.947 32.719 31.823 -0.086 0.000 1.071 160 V HN 0.403 nan 8.190 nan 0.000 0.441 161 G N 1.755 110.463 108.800 -0.153 0.000 2.645 161 G HA2 -0.136 3.815 3.960 -0.014 0.000 0.246 161 G HA3 -0.136 3.815 3.960 -0.014 0.000 0.246 161 G C -0.066 174.769 174.900 -0.109 0.000 1.322 161 G CA 0.996 45.978 45.100 -0.196 0.000 0.898 161 G HN 2.742 nan 8.290 nan 0.000 0.573 162 H N -0.553 118.516 119.070 -0.002 0.000 2.562 162 H HA 0.601 5.149 4.556 -0.014 0.000 0.249 162 H C 0.442 175.865 175.328 0.159 0.000 1.195 162 H CA -0.269 55.830 56.048 0.085 0.000 0.938 162 H CB -0.333 29.566 29.762 0.228 0.000 1.891 162 H HN 0.611 nan 8.280 nan 0.000 0.595 163 K N 1.226 121.765 120.400 0.231 0.000 2.326 163 K HA 0.386 4.698 4.320 -0.014 0.000 0.275 163 K C -0.769 175.863 176.600 0.054 0.000 1.018 163 K CA -0.351 55.963 56.287 0.045 0.000 0.962 163 K CB 0.716 33.081 32.500 -0.225 0.000 0.953 163 K HN 0.297 nan 8.250 nan 0.000 0.475 164 L N 2.534 123.827 121.223 0.116 0.000 2.410 164 L HA 0.506 4.837 4.340 -0.014 0.000 0.270 164 L C -1.035 176.039 176.870 0.339 0.000 0.983 164 L CA -0.725 54.178 54.840 0.107 0.000 0.822 164 L CB 2.036 44.011 42.059 -0.140 0.000 1.285 164 L HN 0.722 nan 8.230 nan 0.000 0.409 165 A N 3.532 126.651 122.820 0.499 0.000 2.331 165 A HA 0.754 5.066 4.320 -0.014 0.000 0.320 165 A C -1.405 176.261 177.584 0.136 0.000 1.138 165 A CA -0.359 51.831 52.037 0.255 0.000 0.790 165 A CB 0.871 19.939 19.000 0.113 0.000 1.206 165 A HN 0.640 nan 8.150 nan 0.000 0.470 166 Y N -0.084 120.226 120.300 0.017 0.000 2.570 166 Y HA 0.789 5.330 4.550 -0.014 0.000 0.345 166 Y C -0.967 174.990 175.900 0.096 0.000 1.014 166 Y CA -1.600 56.488 58.100 -0.021 0.000 1.063 166 Y CB 1.317 39.688 38.460 -0.149 0.000 1.272 166 Y HN 0.332 nan 8.280 nan 0.000 0.477 167 V N 2.473 122.569 119.914 0.304 0.000 2.448 167 V HA 0.348 4.460 4.120 -0.014 0.000 0.295 167 V C -1.396 174.950 176.094 0.420 0.000 1.025 167 V CA -0.600 61.853 62.300 0.255 0.000 0.859 167 V CB 1.158 33.051 31.823 0.115 0.000 0.988 167 V HN 0.887 nan 8.190 nan 0.000 0.431 168 W N 5.571 127.010 121.300 0.231 0.000 3.259 168 W HA 0.497 5.148 4.660 -0.014 0.000 0.331 168 W C 0.171 176.771 176.519 0.135 0.000 1.144 168 W CA -0.622 56.826 57.345 0.171 0.000 1.227 168 W CB 1.374 30.934 29.460 0.166 0.000 1.371 168 W HN 0.620 nan 8.180 nan 0.000 0.491 169 N N 4.949 123.259 118.700 -0.651 0.000 2.708 169 N HA -0.319 4.412 4.740 -0.014 0.000 0.251 169 N C 0.067 175.415 175.510 -0.270 0.000 1.017 169 N CA 2.019 54.717 53.050 -0.587 0.000 0.742 169 N CB -1.331 36.577 38.487 -0.964 0.000 0.943 169 N HN 0.735 nan 8.380 nan 0.000 0.539 170 N N -2.160 116.469 118.700 -0.118 0.000 2.948 170 N HA -0.156 4.575 4.740 -0.014 0.000 0.239 170 N C -1.241 174.208 175.510 -0.102 0.000 0.954 170 N CA 1.513 54.520 53.050 -0.070 0.000 0.941 170 N CB -0.590 37.818 38.487 -0.131 0.000 1.101 170 N HN 0.527 nan 8.380 nan 0.000 0.579 171 D N -0.020 120.309 120.400 -0.119 0.000 2.342 171 D HA 0.477 5.109 4.640 -0.014 0.000 0.243 171 D C 0.431 176.551 176.300 -0.301 0.000 1.019 171 D CA -0.438 53.403 54.000 -0.266 0.000 0.864 171 D CB 1.398 41.957 40.800 -0.402 0.000 1.315 171 D HN 0.009 nan 8.370 nan 0.000 0.468 172 I N 1.749 122.018 120.570 -0.503 0.000 2.428 172 I HA 0.170 4.331 4.170 -0.014 0.000 0.289 172 I C -0.583 175.103 176.117 -0.718 0.000 1.019 172 I CA -0.275 60.728 61.300 -0.495 0.000 1.351 172 I CB 0.463 38.117 38.000 -0.578 0.000 1.412 172 I HN 0.154 nan 8.210 nan 0.000 0.513 173 Y N 4.369 124.324 120.300 -0.577 0.000 2.446 173 Y HA 0.616 5.158 4.550 -0.014 0.000 0.345 173 Y C -0.353 175.198 175.900 -0.582 0.000 0.984 173 Y CA -0.915 56.763 58.100 -0.703 0.000 1.058 173 Y CB 2.047 39.746 38.460 -1.268 0.000 1.220 173 Y HN 0.108 nan 8.280 nan 0.000 0.455 174 V N 3.486 123.326 119.914 -0.123 0.000 2.487 174 V HA 0.366 4.478 4.120 -0.014 0.000 0.298 174 V C -0.586 175.592 176.094 0.140 0.000 1.028 174 V CA -1.384 60.934 62.300 0.029 0.000 0.860 174 V CB 1.686 33.551 31.823 0.070 0.000 0.991 174 V HN 0.622 nan 8.190 nan 0.000 0.427 175 K N 3.596 124.090 120.400 0.156 0.000 2.234 175 K HA 0.480 4.791 4.320 -0.014 0.000 0.277 175 K C 0.593 177.247 176.600 0.088 0.000 1.038 175 K CA -0.441 55.933 56.287 0.144 0.000 0.888 175 K CB 1.860 34.416 32.500 0.094 0.000 1.091 175 K HN 0.529 nan 8.250 nan 0.000 0.467 176 I N 1.963 122.572 120.570 0.065 0.000 2.315 176 I HA -0.175 3.987 4.170 -0.014 0.000 0.248 176 I C 0.319 176.395 176.117 -0.067 0.000 1.117 176 I CA 1.448 62.750 61.300 0.003 0.000 1.404 176 I CB 0.270 38.246 38.000 -0.040 0.000 1.071 176 I HN 0.604 nan 8.210 nan 0.000 0.419 177 E N -1.599 118.531 120.200 -0.115 0.000 2.372 177 E HA 0.193 4.534 4.350 -0.014 0.000 0.279 177 E C -2.040 174.397 176.600 -0.272 0.000 0.946 177 E CA -1.559 54.647 56.400 -0.324 0.000 0.769 177 E CB 2.099 31.602 29.700 -0.328 0.000 1.230 177 E HN -0.291 nan 8.360 nan 0.000 0.442 178 P HA -0.175 nan 4.420 nan 0.000 0.220 178 P C 0.609 177.794 177.300 -0.193 0.000 1.144 178 P CA 1.406 64.304 63.100 -0.337 0.000 0.800 178 P CB 0.170 31.531 31.700 -0.565 0.000 0.772 179 N N -2.194 116.414 118.700 -0.152 0.000 2.409 179 N HA 0.002 4.734 4.740 -0.014 0.000 0.174 179 N C 0.517 176.002 175.510 -0.042 0.000 1.037 179 N CA 0.002 53.013 53.050 -0.065 0.000 0.898 179 N CB 0.017 38.496 38.487 -0.013 0.000 1.010 179 N HN -0.118 nan 8.380 nan 0.000 0.445 180 L N 0.802 122.004 121.223 -0.034 0.000 2.567 180 L HA 0.468 4.800 4.340 -0.014 0.000 0.238 180 L C -2.073 174.813 176.870 0.026 0.000 1.168 180 L CA -2.129 52.721 54.840 0.016 0.000 0.817 180 L CB 0.199 42.292 42.059 0.058 0.000 1.409 180 L HN 0.039 nan 8.230 nan 0.000 0.502 181 P HA 0.246 nan 4.420 nan 0.000 0.288 181 P C -1.239 176.107 177.300 0.077 0.000 1.267 181 P CA -0.616 62.486 63.100 0.003 0.000 0.815 181 P CB 0.892 32.543 31.700 -0.082 0.000 0.989 182 S N 1.880 117.612 115.700 0.054 0.000 2.549 182 S HA 0.167 4.629 4.470 -0.014 0.000 0.283 182 S C -0.284 174.378 174.600 0.103 0.000 1.320 182 S CA 0.111 58.403 58.200 0.153 0.000 1.058 182 S CB -0.460 62.833 63.200 0.155 0.000 0.882 182 S HN 0.290 nan 8.310 nan 0.000 0.498 183 Y N 1.340 121.677 120.300 0.061 0.000 2.320 183 Y HA 0.360 4.902 4.550 -0.014 0.000 0.334 183 Y C 0.794 176.669 175.900 -0.042 0.000 1.055 183 Y CA -0.711 57.414 58.100 0.041 0.000 1.143 183 Y CB 0.918 39.398 38.460 0.032 0.000 1.193 183 Y HN 0.510 nan 8.280 nan 0.000 0.477 184 R N 4.070 124.566 120.500 -0.007 0.000 2.202 184 R HA 0.249 4.580 4.340 -0.014 0.000 0.334 184 R C 0.101 176.227 176.300 -0.290 0.000 1.036 184 R CA -0.145 55.706 56.100 -0.416 0.000 0.878 184 R CB 0.270 30.177 30.300 -0.655 0.000 1.067 184 R HN 0.788 nan 8.270 nan 0.000 0.457 185 I N 2.203 122.517 120.570 -0.427 0.000 3.228 185 I HA 0.040 4.201 4.170 -0.014 0.000 0.279 185 I C 0.540 176.503 176.117 -0.257 0.000 1.221 185 I CA 0.802 61.947 61.300 -0.258 0.000 1.458 185 I CB 0.141 37.941 38.000 -0.333 0.000 1.105 185 I HN 0.530 nan 8.210 nan 0.000 0.445 186 T N -1.223 113.051 114.554 -0.466 0.000 2.993 186 T HA 0.312 4.654 4.350 -0.014 0.000 0.312 186 T C -1.141 173.286 174.700 -0.456 0.000 1.115 186 T CA -0.313 61.577 62.100 -0.350 0.000 1.027 186 T CB 1.194 69.786 68.868 -0.460 0.000 1.116 186 T HN 0.110 nan 8.240 nan 0.000 0.464 187 W N 1.464 122.646 121.300 -0.197 0.000 2.518 187 W HA 0.206 4.858 4.660 -0.014 0.000 0.352 187 W C 1.815 178.267 176.519 -0.112 0.000 0.952 187 W CA -0.291 56.970 57.345 -0.140 0.000 1.624 187 W CB 0.344 29.743 29.460 -0.103 0.000 1.135 187 W HN 0.743 nan 8.180 nan 0.000 0.540 188 T N -2.970 111.605 114.554 0.035 0.000 3.060 188 T HA 0.281 4.623 4.350 -0.014 0.000 0.249 188 T C 1.226 175.905 174.700 -0.035 0.000 1.079 188 T CA 0.163 62.272 62.100 0.014 0.000 1.013 188 T CB -0.038 68.834 68.868 0.006 0.000 0.975 188 T HN -0.010 nan 8.240 nan 0.000 0.518 189 G N 1.234 109.984 108.800 -0.082 0.000 2.353 189 G HA2 0.399 4.350 3.960 -0.014 0.000 0.239 189 G HA3 0.399 4.350 3.960 -0.014 0.000 0.239 189 G C -0.661 174.163 174.900 -0.126 0.000 1.295 189 G CA -0.393 44.636 45.100 -0.119 0.000 0.884 189 G HN 0.464 nan 8.290 nan 0.000 0.537 190 K N 1.733 122.035 120.400 -0.164 0.000 2.565 190 K HA 0.151 4.463 4.320 -0.014 0.000 0.251 190 K C -0.291 176.179 176.600 -0.216 0.000 0.956 190 K CA -0.668 55.525 56.287 -0.156 0.000 0.809 190 K CB 1.865 34.302 32.500 -0.105 0.000 1.267 190 K HN 0.685 nan 8.250 nan 0.000 0.438 191 E N 3.334 123.429 120.200 -0.175 0.000 2.765 191 E HA -0.187 4.154 4.350 -0.014 0.000 0.256 191 E C -0.541 175.969 176.600 -0.150 0.000 0.935 191 E CA 1.126 57.433 56.400 -0.156 0.000 0.954 191 E CB 0.182 29.823 29.700 -0.100 0.000 0.908 191 E HN 0.620 nan 8.360 nan 0.000 0.500 192 D N 2.362 122.664 120.400 -0.163 0.000 3.006 192 D HA -0.251 4.381 4.640 -0.014 0.000 0.208 192 D C 0.613 176.867 176.300 -0.077 0.000 1.116 192 D CA 1.615 55.605 54.000 -0.018 0.000 0.998 192 D CB -0.887 39.948 40.800 0.058 0.000 1.124 192 D HN 0.540 nan 8.370 nan 0.000 0.413 193 I N -0.941 119.467 120.570 -0.270 0.000 3.746 193 I HA 0.067 4.228 4.170 -0.014 0.000 0.262 193 I C 0.400 176.429 176.117 -0.147 0.000 1.153 193 I CA 0.058 61.285 61.300 -0.122 0.000 1.395 193 I CB 0.783 38.739 38.000 -0.073 0.000 1.589 193 I HN -0.168 nan 8.210 nan 0.000 0.441 194 I N 1.361 121.771 120.570 -0.266 0.000 2.389 194 I HA 0.273 4.435 4.170 -0.014 0.000 0.288 194 I C -1.406 174.565 176.117 -0.243 0.000 0.999 194 I CA -0.472 60.750 61.300 -0.130 0.000 1.129 194 I CB 0.956 38.929 38.000 -0.045 0.000 1.288 194 I HN 0.033 nan 8.210 nan 0.000 0.444 195 Y N 4.637 125.025 120.300 0.145 0.000 2.334 195 Y HA 0.404 4.945 4.550 -0.015 0.000 0.336 195 Y C 0.407 176.380 175.900 0.121 0.000 0.960 195 Y CA -0.728 57.464 58.100 0.153 0.000 1.164 195 Y CB 1.162 39.780 38.460 0.263 0.000 1.155 195 Y HN 0.407 nan 8.280 nan 0.000 0.478 196 N N 2.363 121.144 118.700 0.136 0.000 2.444 196 N HA 0.333 5.065 4.740 -0.014 0.000 0.262 196 N C 0.757 176.247 175.510 -0.033 0.000 0.974 196 N CA 0.374 53.438 53.050 0.025 0.000 0.933 196 N CB 1.810 40.208 38.487 -0.149 0.000 1.137 196 N HN 1.010 nan 8.380 nan 0.000 0.498 197 G N 1.631 110.443 108.800 0.019 0.000 2.179 197 G HA2 -0.254 3.697 3.960 -0.014 0.000 0.260 197 G HA3 -0.254 3.697 3.960 -0.014 0.000 0.260 197 G C 0.090 174.912 174.900 -0.130 0.000 0.977 197 G CA 0.763 45.821 45.100 -0.069 0.000 0.641 197 G HN 0.661 nan 8.290 nan 0.000 0.533 198 I N -2.469 118.080 120.570 -0.034 0.000 3.074 198 I HA 0.833 4.995 4.170 -0.014 0.000 0.310 198 I C 0.262 176.435 176.117 0.092 0.000 1.153 198 I CA -0.739 60.445 61.300 -0.194 0.000 0.993 198 I CB 1.897 39.573 38.000 -0.539 0.000 1.237 198 I HN 0.186 nan 8.210 nan 0.000 0.443 199 T N -0.672 113.855 114.554 -0.045 0.000 2.899 199 T HA 0.398 4.740 4.350 -0.014 0.000 0.284 199 T C -0.195 174.232 174.700 -0.455 0.000 1.004 199 T CA -0.626 61.277 62.100 -0.328 0.000 1.043 199 T CB 1.211 69.939 68.868 -0.233 0.000 1.013 199 T HN 0.791 nan 8.240 nan 0.000 0.518 200 D N 0.448 120.335 120.400 -0.855 0.000 2.447 200 D HA 0.020 4.651 4.640 -0.014 0.000 0.265 200 D C 0.987 177.162 176.300 -0.209 0.000 1.250 200 D CA -1.048 52.499 54.000 -0.756 0.000 1.046 200 D CB 0.133 40.536 40.800 -0.662 0.000 1.095 200 D HN 0.712 nan 8.370 nan 0.000 0.555 201 W N 0.219 121.415 121.300 -0.174 0.000 2.315 201 W HA -0.226 4.426 4.660 -0.014 0.000 0.323 201 W C 2.207 178.596 176.519 -0.216 0.000 1.233 201 W CA 2.490 59.740 57.345 -0.159 0.000 1.267 201 W CB -0.517 28.805 29.460 -0.230 0.000 1.160 201 W HN 0.193 nan 8.180 nan 0.000 0.474 202 V N -0.181 119.797 119.914 0.107 0.000 2.427 202 V HA -0.283 3.829 4.120 -0.014 0.000 0.248 202 V C 1.874 177.772 176.094 -0.327 0.000 1.051 202 V CA 1.977 64.238 62.300 -0.065 0.000 1.048 202 V CB -0.753 31.028 31.823 -0.070 0.000 0.666 202 V HN 0.310 nan 8.190 nan 0.000 0.456 203 Y N 0.600 120.653 120.300 -0.411 0.000 2.293 203 Y HA -0.163 4.379 4.550 -0.014 0.000 0.291 203 Y C 2.592 178.241 175.900 -0.417 0.000 1.137 203 Y CA 2.127 59.887 58.100 -0.567 0.000 1.202 203 Y CB 0.003 37.854 38.460 -1.015 0.000 0.990 203 Y HN 0.379 nan 8.280 nan 0.000 0.537 204 E N 0.207 120.289 120.200 -0.195 0.000 2.028 204 E HA -0.271 4.070 4.350 -0.014 0.000 0.191 204 E C 2.003 178.543 176.600 -0.101 0.000 0.988 204 E CA 1.474 57.833 56.400 -0.068 0.000 0.799 204 E CB 0.024 29.706 29.700 -0.032 0.000 0.755 204 E HN 0.362 nan 8.360 nan 0.000 0.447 205 E N 0.189 120.140 120.200 -0.416 0.000 2.076 205 E HA -0.152 4.190 4.350 -0.014 0.000 0.190 205 E C 1.645 178.141 176.600 -0.173 0.000 0.979 205 E CA 1.442 57.595 56.400 -0.411 0.000 0.807 205 E CB 0.145 29.228 29.700 -1.027 0.000 0.761 205 E HN 0.117 nan 8.360 nan 0.000 0.454 206 E N -1.433 118.641 120.200 -0.211 0.000 2.332 206 E HA 0.106 4.448 4.350 -0.014 0.000 0.202 206 E C 1.607 178.145 176.600 -0.103 0.000 0.877 206 E CA 0.771 57.102 56.400 -0.116 0.000 0.979 206 E CB 0.637 30.242 29.700 -0.157 0.000 0.969 206 E HN 0.162 nan 8.360 nan 0.000 0.495 207 V N -1.262 118.538 119.914 -0.190 0.000 2.908 207 V HA 0.228 4.340 4.120 -0.014 0.000 0.240 207 V C 1.483 177.730 176.094 0.255 0.000 1.117 207 V CA 0.712 62.943 62.300 -0.116 0.000 1.133 207 V CB -0.275 31.276 31.823 -0.452 0.000 0.857 207 V HN 0.260 nan 8.190 nan 0.000 0.478 208 F N 0.528 120.500 119.950 0.037 0.000 2.530 208 F HA 0.225 4.743 4.527 -0.014 0.000 0.292 208 F C 1.716 177.518 175.800 0.003 0.000 1.109 208 F CA 0.362 58.411 58.000 0.081 0.000 1.450 208 F CB 0.312 39.390 39.000 0.130 0.000 1.114 208 F HN 0.227 nan 8.300 nan 0.000 0.560 209 S N 0.793 116.590 115.700 0.161 0.000 3.614 209 S HA -0.096 4.366 4.470 -0.014 0.000 0.360 209 S C -0.237 174.129 174.600 -0.390 0.000 1.023 209 S CA 0.249 58.458 58.200 0.015 0.000 1.114 209 S CB -1.513 61.728 63.200 0.069 0.000 0.907 209 S HN 0.599 nan 8.310 nan 0.000 0.470 210 A N -0.743 121.962 122.820 -0.192 0.000 2.597 210 A HA 0.645 4.957 4.320 -0.014 0.000 0.292 210 A C -0.394 177.225 177.584 0.058 0.000 1.057 210 A CA -0.353 51.539 52.037 -0.242 0.000 0.674 210 A CB 0.296 19.192 19.000 -0.173 0.000 1.278 210 A HN 0.364 nan 8.150 nan 0.000 0.416 211 Y N 1.159 121.377 120.300 -0.136 0.000 2.365 211 Y HA 0.134 4.676 4.550 -0.014 0.000 0.293 211 Y C 1.588 177.295 175.900 -0.322 0.000 1.119 211 Y CA 1.124 59.162 58.100 -0.104 0.000 1.203 211 Y CB 0.302 38.796 38.460 0.056 0.000 1.026 211 Y HN 0.727 nan 8.280 nan 0.000 0.549 212 S N 0.747 115.996 115.700 -0.751 0.000 2.549 212 S HA 0.383 4.844 4.470 -0.014 0.000 0.283 212 S C 0.006 174.243 174.600 -0.606 0.000 1.320 212 S CA 0.057 57.556 58.200 -1.168 0.000 1.058 212 S CB 0.921 63.172 63.200 -1.581 0.000 0.882 212 S HN 0.388 nan 8.310 nan 0.000 0.498 213 A N 4.852 127.340 122.820 -0.554 0.000 3.253 213 A HA 0.569 4.880 4.320 -0.014 0.000 0.290 213 A C -0.779 176.344 177.584 -0.769 0.000 0.950 213 A CA -0.666 51.094 52.037 -0.461 0.000 0.986 213 A CB -0.547 18.567 19.000 0.190 0.000 1.104 213 A HN 0.998 nan 8.150 nan 0.000 0.481 214 L N -5.377 115.137 121.223 -1.182 0.000 2.540 214 L HA 0.894 5.225 4.340 -0.014 0.000 0.256 214 L C -1.613 174.835 176.870 -0.703 0.000 1.001 214 L CA -1.092 53.331 54.840 -0.695 0.000 0.843 214 L CB 1.099 42.985 42.059 -0.288 0.000 1.436 214 L HN 0.207 nan 8.230 nan 0.000 0.410 215 W N 1.319 122.668 121.300 0.082 0.000 2.680 215 W HA 0.275 4.927 4.660 -0.014 0.000 0.305 215 W C -1.744 174.979 176.519 0.340 0.000 1.033 215 W CA -0.727 56.778 57.345 0.265 0.000 1.242 215 W CB 1.156 30.809 29.460 0.322 0.000 1.138 215 W HN 0.620 nan 8.180 nan 0.000 0.358 216 W N 2.545 124.084 121.300 0.399 0.000 2.223 216 W HA 0.185 4.837 4.660 -0.014 0.000 0.334 216 W C 1.425 177.875 176.519 -0.116 0.000 1.334 216 W CA 0.597 58.051 57.345 0.182 0.000 1.246 216 W CB 0.516 30.047 29.460 0.118 0.000 1.184 216 W HN 0.188 nan 8.180 nan 0.000 0.563 217 S N 3.011 118.489 115.700 -0.371 0.000 2.576 217 S HA 0.109 4.570 4.470 -0.014 0.000 0.272 217 S C -1.671 172.739 174.600 -0.317 0.000 1.352 217 S CA -0.934 56.608 58.200 -1.097 0.000 1.021 217 S CB 1.089 63.625 63.200 -1.105 0.000 0.887 217 S HN 0.311 nan 8.310 nan 0.000 0.542 218 P HA -0.044 nan 4.420 nan 0.000 0.217 218 P C 1.350 178.615 177.300 -0.059 0.000 1.151 218 P CA 0.771 63.844 63.100 -0.045 0.000 0.828 218 P CB -0.087 31.625 31.700 0.021 0.000 0.788 219 N N -0.419 118.222 118.700 -0.099 0.000 2.091 219 N HA -0.160 4.572 4.740 -0.014 0.000 0.193 219 N C 1.548 176.998 175.510 -0.101 0.000 1.021 219 N CA 2.218 55.207 53.050 -0.102 0.000 0.862 219 N CB -0.840 37.556 38.487 -0.151 0.000 1.018 219 N HN 0.223 nan 8.380 nan 0.000 0.429 220 G N -2.512 106.239 108.800 -0.082 0.000 2.175 220 G HA2 -0.271 3.681 3.960 -0.014 0.000 0.244 220 G HA3 -0.271 3.681 3.960 -0.014 0.000 0.244 220 G C 1.070 175.977 174.900 0.012 0.000 0.982 220 G CA 1.020 46.110 45.100 -0.016 0.000 0.641 220 G HN 0.418 nan 8.290 nan 0.000 0.527 221 T N 0.262 114.710 114.554 -0.178 0.000 2.698 221 T HA 0.273 4.614 4.350 -0.014 0.000 0.260 221 T C 0.899 175.370 174.700 -0.382 0.000 1.044 221 T CA 1.307 63.159 62.100 -0.414 0.000 1.149 221 T CB -0.075 68.301 68.868 -0.819 0.000 0.864 221 T HN 0.259 nan 8.240 nan 0.000 0.419 222 F N 0.432 120.380 119.950 -0.003 0.000 2.440 222 F HA 0.646 5.164 4.527 -0.014 0.000 0.328 222 F C -0.177 175.674 175.800 0.087 0.000 1.070 222 F CA -1.853 56.184 58.000 0.061 0.000 1.011 222 F CB 0.858 39.935 39.000 0.128 0.000 1.226 222 F HN -0.088 nan 8.300 nan 0.000 0.491 223 L N 2.338 123.722 121.223 0.268 0.000 2.372 223 L HA 0.776 5.107 4.340 -0.014 0.000 0.273 223 L C -0.602 176.376 176.870 0.180 0.000 0.989 223 L CA -0.720 54.136 54.840 0.026 0.000 0.841 223 L CB 0.596 42.442 42.059 -0.356 0.000 1.225 223 L HN 0.669 nan 8.230 nan 0.000 0.414 224 A N 4.782 127.784 122.820 0.302 0.000 2.304 224 A HA 0.745 5.056 4.320 -0.014 0.000 0.301 224 A C -1.306 176.402 177.584 0.206 0.000 1.132 224 A CA -0.164 51.934 52.037 0.102 0.000 0.819 224 A CB 0.421 19.553 19.000 0.221 0.000 1.094 224 A HN 0.898 nan 8.150 nan 0.000 0.492 225 Y N -1.717 118.480 120.300 -0.171 0.000 2.609 225 Y HA 0.738 5.280 4.550 -0.014 0.000 0.336 225 Y C -0.316 175.570 175.900 -0.024 0.000 1.129 225 Y CA -0.941 57.164 58.100 0.007 0.000 1.040 225 Y CB 0.873 39.274 38.460 -0.098 0.000 1.310 225 Y HN 0.892 nan 8.280 nan 0.000 0.460 226 A N 2.351 125.351 122.820 0.299 0.000 2.306 226 A HA 0.657 4.968 4.320 -0.014 0.000 0.330 226 A C -1.039 176.478 177.584 -0.113 0.000 1.146 226 A CA -0.813 51.238 52.037 0.024 0.000 0.827 226 A CB 1.567 20.565 19.000 -0.004 0.000 1.178 226 A HN 0.825 nan 8.150 nan 0.000 0.490 227 Q N 1.045 120.699 119.800 -0.244 0.000 2.330 227 Q HA 0.615 4.947 4.340 -0.014 0.000 0.269 227 Q C -2.075 173.708 176.000 -0.361 0.000 1.022 227 Q CA -0.382 55.351 55.803 -0.116 0.000 0.796 227 Q CB 1.038 29.930 28.738 0.256 0.000 1.271 227 Q HN 0.585 nan 8.270 nan 0.000 0.450 228 F N 2.372 122.419 119.950 0.162 0.000 2.458 228 F HA 0.415 4.933 4.527 -0.014 0.000 0.336 228 F C 0.299 176.230 175.800 0.219 0.000 1.114 228 F CA -0.945 57.133 58.000 0.129 0.000 0.987 228 F CB 1.514 40.545 39.000 0.051 0.000 1.130 228 F HN 0.446 nan 8.300 nan 0.000 0.458 229 N N 2.041 120.943 118.700 0.336 0.000 2.518 229 N HA 0.220 4.951 4.740 -0.014 0.000 0.254 229 N C -0.987 174.665 175.510 0.237 0.000 0.979 229 N CA -0.314 52.879 53.050 0.238 0.000 0.930 229 N CB 0.992 39.571 38.487 0.154 0.000 1.152 229 N HN 0.578 nan 8.380 nan 0.000 0.505 230 D N 1.362 121.913 120.400 0.253 0.000 2.463 230 D HA 0.146 4.777 4.640 -0.014 0.000 0.224 230 D C 1.135 177.523 176.300 0.146 0.000 1.174 230 D CA 0.083 54.222 54.000 0.233 0.000 0.829 230 D CB 0.618 41.629 40.800 0.351 0.000 0.993 230 D HN 0.433 nan 8.370 nan 0.000 0.497 231 T N 0.161 114.780 114.554 0.108 0.000 2.699 231 T HA -0.144 4.197 4.350 -0.014 0.000 0.268 231 T C 1.438 176.174 174.700 0.060 0.000 1.036 231 T CA 1.162 63.303 62.100 0.069 0.000 1.147 231 T CB 0.074 68.974 68.868 0.053 0.000 0.862 231 T HN 0.096 nan 8.240 nan 0.000 0.446 232 E N 0.685 120.923 120.200 0.063 0.000 2.476 232 E HA 0.198 4.540 4.350 -0.014 0.000 0.196 232 E C -0.169 176.464 176.600 0.054 0.000 1.029 232 E CA -0.077 56.352 56.400 0.049 0.000 0.896 232 E CB 0.283 30.006 29.700 0.039 0.000 1.012 232 E HN 0.250 nan 8.360 nan 0.000 0.475 233 V N 3.739 123.698 119.914 0.075 0.000 2.508 233 V HA 0.101 4.213 4.120 -0.014 0.000 0.281 233 V C -2.014 174.120 176.094 0.066 0.000 1.041 233 V CA -1.256 61.092 62.300 0.079 0.000 1.016 233 V CB 0.475 32.365 31.823 0.111 0.000 0.984 233 V HN 0.018 nan 8.190 nan 0.000 0.478 234 P HA 0.243 nan 4.420 nan 0.000 0.269 234 P C -0.720 176.597 177.300 0.029 0.000 1.215 234 P CA -0.247 62.871 63.100 0.030 0.000 0.780 234 P CB 0.478 32.191 31.700 0.021 0.000 0.898 235 L N 2.331 123.551 121.223 -0.005 0.000 2.289 235 L HA 0.405 4.737 4.340 -0.014 0.000 0.285 235 L C 0.470 177.277 176.870 -0.105 0.000 1.049 235 L CA -1.002 53.821 54.840 -0.028 0.000 0.804 235 L CB 0.902 42.943 42.059 -0.029 0.000 1.195 235 L HN 0.304 nan 8.230 nan 0.000 0.428 236 I N 3.298 123.761 120.570 -0.179 0.000 2.441 236 I HA 0.128 4.290 4.170 -0.014 0.000 0.287 236 I C -0.108 175.887 176.117 -0.202 0.000 1.049 236 I CA 0.319 61.422 61.300 -0.329 0.000 1.381 236 I CB 0.537 38.097 38.000 -0.734 0.000 1.409 236 I HN 0.597 nan 8.210 nan 0.000 0.523 237 E N 7.683 127.779 120.200 -0.174 0.000 2.210 237 E HA 0.522 4.864 4.350 -0.014 0.000 0.266 237 E C -1.689 174.869 176.600 -0.071 0.000 0.883 237 E CA -0.723 55.577 56.400 -0.167 0.000 0.761 237 E CB 1.620 31.237 29.700 -0.138 0.000 1.156 237 E HN 0.567 nan 8.360 nan 0.000 0.412 238 Y N -1.370 118.874 120.300 -0.094 0.000 2.588 238 Y HA 0.582 5.123 4.550 -0.015 0.000 0.343 238 Y C -0.535 175.315 175.900 -0.083 0.000 1.065 238 Y CA -1.388 56.662 58.100 -0.083 0.000 1.038 238 Y CB 1.076 39.510 38.460 -0.044 0.000 1.297 238 Y HN 0.302 nan 8.280 nan 0.000 0.467 239 S N 2.033 117.732 115.700 -0.000 0.000 2.564 239 S HA 0.401 4.863 4.470 -0.014 0.000 0.278 239 S C -1.310 173.158 174.600 -0.220 0.000 1.333 239 S CA -0.266 57.785 58.200 -0.247 0.000 1.048 239 S CB 0.193 63.101 63.200 -0.487 0.000 0.900 239 S HN 0.544 nan 8.310 nan 0.000 0.505 240 F N 2.128 121.820 119.950 -0.430 0.000 2.539 240 F HA 0.442 4.960 4.527 -0.014 0.000 0.318 240 F C -0.397 175.207 175.800 -0.326 0.000 1.135 240 F CA -0.785 57.050 58.000 -0.276 0.000 0.915 240 F CB 0.928 39.897 39.000 -0.051 0.000 1.176 240 F HN 0.656 nan 8.300 nan 0.000 0.440 241 Y N 2.675 122.756 120.300 -0.365 0.000 2.479 241 Y HA 0.182 4.722 4.550 -0.017 0.000 0.283 241 Y C 1.629 177.460 175.900 -0.115 0.000 1.109 241 Y CA 1.008 58.999 58.100 -0.182 0.000 1.239 241 Y CB -0.254 38.079 38.460 -0.211 0.000 1.108 241 Y HN 0.748 nan 8.280 nan 0.000 0.548 242 S N -0.243 115.379 115.700 -0.131 0.000 3.569 242 S HA -0.218 4.243 4.470 -0.014 0.000 0.635 242 S C -0.628 174.026 174.600 0.090 0.000 2.396 242 S CA 0.274 58.557 58.200 0.139 0.000 2.612 242 S CB -1.261 62.123 63.200 0.307 0.000 0.331 242 S HN 0.425 nan 8.310 nan 0.000 1.764 243 D N 1.985 122.455 120.400 0.117 0.000 2.400 243 D HA 0.201 4.832 4.640 -0.014 0.000 0.238 243 D C 1.506 177.840 176.300 0.057 0.000 1.157 243 D CA 0.615 54.660 54.000 0.076 0.000 0.889 243 D CB 0.332 41.177 40.800 0.075 0.000 1.199 243 D HN 0.672 nan 8.370 nan 0.000 0.436 244 E N -0.412 119.809 120.200 0.035 0.000 2.267 244 E HA -0.204 4.137 4.350 -0.014 0.000 0.197 244 E C 1.368 177.982 176.600 0.024 0.000 0.998 244 E CA 1.088 57.501 56.400 0.020 0.000 0.830 244 E CB -0.125 29.579 29.700 0.007 0.000 0.751 244 E HN 0.311 nan 8.360 nan 0.000 0.491 245 S N 0.648 116.368 115.700 0.034 0.000 2.481 245 S HA -0.072 4.389 4.470 -0.014 0.000 0.231 245 S C 0.910 175.535 174.600 0.043 0.000 0.996 245 S CA -0.164 58.056 58.200 0.033 0.000 0.942 245 S CB -0.283 62.938 63.200 0.035 0.000 0.768 245 S HN 0.277 nan 8.310 nan 0.000 0.520 246 L N 2.561 123.818 121.223 0.058 0.000 2.369 246 L HA 0.331 4.662 4.340 -0.014 0.000 0.279 246 L C 1.323 178.230 176.870 0.062 0.000 1.108 246 L CA 0.155 55.040 54.840 0.076 0.000 0.852 246 L CB 0.693 42.813 42.059 0.101 0.000 1.169 246 L HN 0.329 nan 8.230 nan 0.000 0.452 247 Q N 4.002 123.845 119.800 0.072 0.000 2.096 247 Q HA -0.038 4.294 4.340 -0.014 0.000 0.197 247 Q C -0.528 175.405 176.000 -0.112 0.000 0.964 247 Q CA 1.121 56.919 55.803 -0.008 0.000 0.838 247 Q CB 0.132 28.896 28.738 0.043 0.000 0.906 247 Q HN 0.668 nan 8.270 nan 0.000 0.444 248 Y N 0.901 121.215 120.300 0.024 0.000 2.352 248 Y HA 0.405 4.953 4.550 -0.002 0.000 0.339 248 Y C -2.062 173.849 175.900 0.019 0.000 0.992 248 Y CA -3.000 55.110 58.100 0.018 0.000 1.100 248 Y CB 1.255 39.717 38.460 0.004 0.000 1.192 248 Y HN 0.164 nan 8.280 nan 0.000 0.458 249 P HA 0.111 nan 4.420 nan 0.000 0.269 249 P C -0.869 176.445 177.300 0.024 0.000 1.209 249 P CA -0.364 62.758 63.100 0.037 0.000 0.776 249 P CB 0.748 32.416 31.700 -0.054 0.000 0.876 250 K N 0.421 120.824 120.400 0.004 0.000 2.098 250 K HA 0.494 4.806 4.320 -0.014 0.000 0.258 250 K C 0.157 176.714 176.600 -0.070 0.000 0.973 250 K CA -0.509 55.773 56.287 -0.008 0.000 0.898 250 K CB 1.000 33.514 32.500 0.022 0.000 1.057 250 K HN 0.362 nan 8.250 nan 0.000 0.447 251 T N 0.535 115.032 114.554 -0.095 0.000 2.770 251 T HA 0.321 4.662 4.350 -0.014 0.000 0.283 251 T C -0.569 174.007 174.700 -0.207 0.000 0.988 251 T CA -0.767 61.240 62.100 -0.155 0.000 0.957 251 T CB 0.660 69.451 68.868 -0.130 0.000 0.930 251 T HN 0.164 nan 8.240 nan 0.000 0.443 252 V N 6.476 126.171 119.914 -0.365 0.000 2.583 252 V HA 0.521 4.633 4.120 -0.014 0.000 0.287 252 V C 0.463 176.327 176.094 -0.383 0.000 1.051 252 V CA -0.468 61.583 62.300 -0.416 0.000 1.010 252 V CB 1.010 32.431 31.823 -0.669 0.000 0.988 252 V HN 0.829 nan 8.190 nan 0.000 0.478 253 R N 3.143 123.534 120.500 -0.183 0.000 2.502 253 R HA 0.750 5.082 4.340 -0.014 0.000 0.300 253 R C -1.726 174.578 176.300 0.007 0.000 0.984 253 R CA -0.521 55.515 56.100 -0.107 0.000 0.882 253 R CB 2.249 32.504 30.300 -0.075 0.000 1.180 253 R HN 0.525 nan 8.270 nan 0.000 0.444 254 V N 3.744 123.671 119.914 0.021 0.000 2.623 254 V HA 0.369 4.480 4.120 -0.014 0.000 0.304 254 V C -2.445 173.706 176.094 0.096 0.000 1.054 254 V CA -2.423 59.952 62.300 0.124 0.000 0.882 254 V CB 2.220 34.117 31.823 0.124 0.000 1.002 254 V HN 0.626 nan 8.190 nan 0.000 0.424 255 P HA 0.198 nan 4.420 nan 0.000 0.265 255 P C -1.341 176.054 177.300 0.158 0.000 1.222 255 P CA 0.278 63.474 63.100 0.160 0.000 0.767 255 P CB -0.135 31.700 31.700 0.226 0.000 0.801 256 Y N 6.260 126.525 120.300 -0.059 0.000 2.287 256 Y HA 0.344 4.886 4.550 -0.013 0.000 0.325 256 Y C -2.763 173.088 175.900 -0.082 0.000 1.139 256 Y CA -2.884 55.128 58.100 -0.148 0.000 1.167 256 Y CB 1.648 39.895 38.460 -0.354 0.000 1.158 256 Y HN 0.278 nan 8.280 nan 0.000 0.434 257 P HA 0.228 nan 4.420 nan 0.000 0.280 257 P C -0.867 176.471 177.300 0.062 0.000 1.300 257 P CA -0.074 63.050 63.100 0.041 0.000 0.785 257 P CB 1.098 32.803 31.700 0.009 0.000 0.874 258 K N 2.066 122.588 120.400 0.204 0.000 2.102 258 K HA 0.484 4.795 4.320 -0.014 0.000 0.244 258 K C 0.583 177.277 176.600 0.157 0.000 1.021 258 K CA -0.740 55.691 56.287 0.239 0.000 0.913 258 K CB 0.551 33.204 32.500 0.255 0.000 1.062 258 K HN 0.426 nan 8.250 nan 0.000 0.485 259 A N 0.915 123.854 122.820 0.197 0.000 2.573 259 A HA 0.272 4.583 4.320 -0.014 0.000 0.250 259 A C 1.106 178.725 177.584 0.057 0.000 1.049 259 A CA 0.949 53.086 52.037 0.166 0.000 0.767 259 A CB -1.303 17.874 19.000 0.294 0.000 0.965 259 A HN 0.906 nan 8.150 nan 0.000 0.514 260 G N 0.807 109.628 108.800 0.036 0.000 2.136 260 G HA2 0.181 4.132 3.960 -0.014 0.000 0.242 260 G HA3 0.181 4.132 3.960 -0.014 0.000 0.242 260 G C 0.413 175.317 174.900 0.007 0.000 0.989 260 G CA 0.531 45.626 45.100 -0.009 0.000 0.682 260 G HN 2.163 nan 8.290 nan 0.000 0.522 261 A N -0.756 122.084 122.820 0.034 0.000 2.269 261 A HA 0.855 5.167 4.320 -0.014 0.000 0.327 261 A C 0.713 178.317 177.584 0.033 0.000 1.112 261 A CA -0.053 52.005 52.037 0.035 0.000 0.865 261 A CB 1.291 20.324 19.000 0.055 0.000 1.227 261 A HN 1.236 nan 8.150 nan 0.000 0.498 262 V N 2.096 122.028 119.914 0.030 0.000 2.584 262 V HA -0.084 4.028 4.120 -0.014 0.000 0.303 262 V C 0.683 176.802 176.094 0.041 0.000 1.035 262 V CA 0.657 62.974 62.300 0.029 0.000 1.172 262 V CB -0.687 31.156 31.823 0.033 0.000 0.896 262 V HN 0.865 nan 8.190 nan 0.000 0.486 263 N N 6.200 124.918 118.700 0.031 0.000 2.508 263 N HA 0.390 5.121 4.740 -0.014 0.000 0.285 263 N C -2.362 173.191 175.510 0.071 0.000 1.144 263 N CA -1.294 51.785 53.050 0.049 0.000 0.978 263 N CB 1.221 39.711 38.487 0.006 0.000 1.180 263 N HN 0.488 nan 8.380 nan 0.000 0.484 264 P HA 0.017 nan 4.420 nan 0.000 0.270 264 P C -0.676 176.725 177.300 0.168 0.000 1.223 264 P CA -0.118 63.092 63.100 0.184 0.000 0.785 264 P CB 0.471 32.326 31.700 0.259 0.000 0.923 265 T N -1.865 112.784 114.554 0.158 0.000 2.945 265 T HA 0.608 4.950 4.350 -0.014 0.000 0.286 265 T C -0.106 174.684 174.700 0.150 0.000 1.025 265 T CA -0.727 61.428 62.100 0.091 0.000 1.039 265 T CB 1.023 69.920 68.868 0.048 0.000 1.068 265 T HN 0.213 nan 8.240 nan 0.000 0.497 266 V N 1.078 121.047 119.914 0.091 0.000 2.769 266 V HA 0.659 4.770 4.120 -0.014 0.000 0.312 266 V C -0.324 175.803 176.094 0.055 0.000 1.061 266 V CA -1.126 61.201 62.300 0.044 0.000 0.931 266 V CB 1.664 33.553 31.823 0.110 0.000 1.010 266 V HN 0.946 nan 8.190 nan 0.000 0.433 267 K N 2.399 122.776 120.400 -0.038 0.000 2.385 267 K HA 0.660 4.971 4.320 -0.014 0.000 0.248 267 K C -1.664 174.808 176.600 -0.212 0.000 0.955 267 K CA -0.550 55.664 56.287 -0.122 0.000 0.816 267 K CB 3.011 35.404 32.500 -0.178 0.000 1.250 267 K HN 0.607 nan 8.250 nan 0.000 0.434 268 F N 2.361 122.000 119.950 -0.519 0.000 2.467 268 F HA 0.517 5.035 4.527 -0.014 0.000 0.336 268 F C -1.340 173.940 175.800 -0.867 0.000 1.123 268 F CA -0.625 57.060 58.000 -0.525 0.000 0.964 268 F CB 0.767 39.588 39.000 -0.298 0.000 1.136 268 F HN 0.381 nan 8.300 nan 0.000 0.447 269 F N 4.910 124.181 119.950 -1.133 0.000 2.593 269 F HA 0.740 5.258 4.527 -0.014 0.000 0.320 269 F C -0.617 174.485 175.800 -1.165 0.000 1.060 269 F CA -1.249 56.164 58.000 -0.979 0.000 0.940 269 F CB 2.025 40.434 39.000 -0.984 0.000 1.268 269 F HN 0.307 nan 8.300 nan 0.000 0.475 270 V N 2.233 121.897 119.914 -0.415 0.000 2.841 270 V HA 0.870 4.981 4.120 -0.014 0.000 0.310 270 V C -1.942 174.209 176.094 0.095 0.000 1.090 270 V CA -0.562 61.602 62.300 -0.227 0.000 0.930 270 V CB 2.058 33.680 31.823 -0.335 0.000 1.014 270 V HN 0.568 nan 8.190 nan 0.000 0.425 271 V N 4.842 124.886 119.914 0.217 0.000 2.680 271 V HA 0.541 4.653 4.120 -0.014 0.000 0.309 271 V C -0.207 176.097 176.094 0.351 0.000 1.052 271 V CA -0.791 61.667 62.300 0.263 0.000 0.908 271 V CB 2.034 33.983 31.823 0.209 0.000 1.001 271 V HN 0.955 nan 8.190 nan 0.000 0.431 272 N N 2.175 121.072 118.700 0.329 0.000 2.415 272 N HA 0.092 4.824 4.740 -0.014 0.000 0.246 272 N C 1.046 176.624 175.510 0.113 0.000 1.078 272 N CA 0.449 53.657 53.050 0.263 0.000 0.942 272 N CB 1.759 40.388 38.487 0.236 0.000 1.140 272 N HN 0.909 nan 8.380 nan 0.000 0.501 273 T N 0.167 114.769 114.554 0.080 0.000 3.054 273 T HA -0.026 4.315 4.350 -0.014 0.000 0.259 273 T C 1.204 175.906 174.700 0.004 0.000 1.092 273 T CA 0.512 62.650 62.100 0.063 0.000 1.121 273 T CB 0.099 69.075 68.868 0.180 0.000 0.912 273 T HN 0.315 nan 8.240 nan 0.000 0.489 274 D N 2.213 122.586 120.400 -0.045 0.000 2.173 274 D HA -0.046 4.585 4.640 -0.014 0.000 0.205 274 D C 0.324 176.598 176.300 -0.043 0.000 1.002 274 D CA 1.301 55.261 54.000 -0.067 0.000 0.881 274 D CB -0.182 40.537 40.800 -0.134 0.000 1.062 274 D HN 0.328 nan 8.370 nan 0.000 0.459 275 S N -0.423 115.259 115.700 -0.029 0.000 2.404 275 S HA 0.410 4.871 4.470 -0.014 0.000 0.309 275 S C -0.374 174.234 174.600 0.014 0.000 1.076 275 S CA -0.492 57.705 58.200 -0.004 0.000 1.095 275 S CB 0.209 63.419 63.200 0.016 0.000 0.972 275 S HN 0.318 nan 8.310 nan 0.000 0.484 276 L N 0.947 122.165 121.223 -0.009 0.000 2.502 276 L HA 0.578 4.910 4.340 -0.014 0.000 0.249 276 L C 0.324 177.204 176.870 0.018 0.000 1.446 276 L CA -0.526 54.322 54.840 0.015 0.000 0.887 276 L CB 0.704 42.767 42.059 0.007 0.000 1.126 276 L HN 0.294 nan 8.230 nan 0.000 0.509 277 S N -0.293 115.434 115.700 0.044 0.000 2.607 277 S HA 0.051 4.512 4.470 -0.014 0.000 0.224 277 S C 1.044 175.709 174.600 0.108 0.000 0.969 277 S CA 0.310 58.553 58.200 0.070 0.000 0.927 277 S CB -0.061 63.175 63.200 0.059 0.000 0.772 277 S HN 0.670 nan 8.310 nan 0.000 0.533 278 S N 2.098 117.865 115.700 0.111 0.000 3.483 278 S HA 0.126 4.587 4.470 -0.014 0.000 0.274 278 S C 1.381 176.093 174.600 0.187 0.000 1.289 278 S CA -0.390 57.883 58.200 0.122 0.000 0.938 278 S CB 0.529 63.787 63.200 0.098 0.000 1.453 278 S HN 0.438 nan 8.310 nan 0.000 0.494 279 V N 1.728 121.774 119.914 0.221 0.000 2.591 279 V HA -0.019 4.092 4.120 -0.014 0.000 0.249 279 V C 2.080 178.291 176.094 0.195 0.000 1.053 279 V CA 1.895 64.387 62.300 0.320 0.000 1.068 279 V CB -0.980 30.994 31.823 0.252 0.000 0.689 279 V HN 0.695 nan 8.190 nan 0.000 0.462 280 T N 0.041 114.679 114.554 0.140 0.000 2.976 280 T HA 0.111 4.452 4.350 -0.014 0.000 0.257 280 T C 0.753 175.540 174.700 0.145 0.000 1.051 280 T CA 0.796 62.975 62.100 0.133 0.000 1.141 280 T CB -0.348 68.544 68.868 0.040 0.000 0.881 280 T HN 0.575 nan 8.240 nan 0.000 0.461 281 N N 1.749 120.507 118.700 0.096 0.000 2.690 281 N HA 0.493 5.225 4.740 -0.014 0.000 0.255 281 N C -0.990 174.577 175.510 0.095 0.000 1.195 281 N CA -0.238 52.852 53.050 0.066 0.000 0.790 281 N CB 1.587 40.042 38.487 -0.053 0.000 1.216 281 N HN 0.388 nan 8.380 nan 0.000 0.528 282 A N 0.812 123.716 122.820 0.141 0.000 2.346 282 A HA 0.543 4.854 4.320 -0.014 0.000 0.252 282 A C 0.333 177.974 177.584 0.095 0.000 1.089 282 A CA 0.243 52.351 52.037 0.118 0.000 0.797 282 A CB 0.353 19.427 19.000 0.123 0.000 1.047 282 A HN 0.319 nan 8.150 nan 0.000 0.494 283 T N 1.911 116.525 114.554 0.099 0.000 2.791 283 T HA 0.464 4.805 4.350 -0.014 0.000 0.288 283 T C -0.245 174.528 174.700 0.121 0.000 0.999 283 T CA -0.122 62.035 62.100 0.096 0.000 0.952 283 T CB 0.781 69.709 68.868 0.100 0.000 0.938 283 T HN 0.543 nan 8.240 nan 0.000 0.444 284 S N 3.693 119.451 115.700 0.097 0.000 2.508 284 S HA 0.515 4.977 4.470 -0.014 0.000 0.284 284 S C -0.084 174.638 174.600 0.204 0.000 1.192 284 S CA -0.826 57.449 58.200 0.125 0.000 1.070 284 S CB 0.556 63.759 63.200 0.006 0.000 1.004 284 S HN 0.492 nan 8.310 nan 0.000 0.493 285 I N 3.070 123.787 120.570 0.246 0.000 2.330 285 I HA 0.295 4.457 4.170 -0.014 0.000 0.289 285 I C 0.349 176.592 176.117 0.210 0.000 1.001 285 I CA -0.330 61.128 61.300 0.263 0.000 1.193 285 I CB 1.278 39.471 38.000 0.320 0.000 1.345 285 I HN 0.678 nan 8.210 nan 0.000 0.461 286 Q N 6.410 126.325 119.800 0.192 0.000 2.267 286 Q HA 0.483 4.814 4.340 -0.014 0.000 0.255 286 Q C -1.007 174.943 176.000 -0.082 0.000 0.923 286 Q CA -0.430 55.291 55.803 -0.136 0.000 0.925 286 Q CB 1.331 29.934 28.738 -0.225 0.000 1.195 286 Q HN 0.544 nan 8.270 nan 0.000 0.417 287 I N 3.769 124.273 120.570 -0.110 0.000 2.330 287 I HA 0.199 4.361 4.170 -0.014 0.000 0.289 287 I C 0.062 176.169 176.117 -0.018 0.000 1.001 287 I CA -0.564 60.731 61.300 -0.008 0.000 1.193 287 I CB 1.629 39.650 38.000 0.035 0.000 1.345 287 I HN 0.582 nan 8.210 nan 0.000 0.461 288 T N 5.159 119.670 114.554 -0.071 0.000 2.898 288 T HA 0.337 4.679 4.350 -0.014 0.000 0.301 288 T C 0.604 175.134 174.700 -0.283 0.000 1.049 288 T CA -0.411 61.594 62.100 -0.158 0.000 1.095 288 T CB 1.112 69.884 68.868 -0.159 0.000 0.976 288 T HN 0.702 nan 8.240 nan 0.000 0.539 289 A N 4.400 126.814 122.820 -0.675 0.000 2.448 289 A HA 0.438 4.750 4.320 -0.014 0.000 0.239 289 A C -1.991 175.141 177.584 -0.753 0.000 1.080 289 A CA -1.125 50.101 52.037 -1.351 0.000 0.779 289 A CB -0.508 17.193 19.000 -2.165 0.000 1.026 289 A HN 0.562 nan 8.150 nan 0.000 0.499 290 P HA 0.199 nan 4.420 nan 0.000 0.272 290 P C 0.600 177.697 177.300 -0.338 0.000 1.223 290 P CA 0.492 63.375 63.100 -0.362 0.000 0.784 290 P CB 0.870 32.426 31.700 -0.240 0.000 0.923 291 A N 2.031 124.718 122.820 -0.222 0.000 2.024 291 A HA -0.178 4.133 4.320 -0.014 0.000 0.220 291 A C 2.480 179.955 177.584 -0.181 0.000 1.164 291 A CA 2.041 53.964 52.037 -0.190 0.000 0.643 291 A CB -1.582 17.340 19.000 -0.130 0.000 0.806 291 A HN 0.588 nan 8.150 nan 0.000 0.451 292 S N -1.189 114.424 115.700 -0.145 0.000 2.407 292 S HA -0.207 4.254 4.470 -0.014 0.000 0.235 292 S C 1.880 176.390 174.600 -0.151 0.000 1.036 292 S CA 1.988 60.128 58.200 -0.099 0.000 1.013 292 S CB -0.333 62.899 63.200 0.054 0.000 0.820 292 S HN 0.486 nan 8.310 nan 0.000 0.476 293 M N -0.048 119.389 119.600 -0.272 0.000 2.534 293 M HA 0.286 4.757 4.480 -0.014 0.000 0.263 293 M C 1.667 177.685 176.300 -0.471 0.000 1.152 293 M CA 0.523 55.581 55.300 -0.402 0.000 1.145 293 M CB -0.769 31.406 32.600 -0.708 0.000 1.333 293 M HN 0.309 nan 8.290 nan 0.000 0.477 294 L N 0.831 121.815 121.223 -0.397 0.000 2.551 294 L HA -0.057 4.274 4.340 -0.014 0.000 0.228 294 L C 2.213 179.001 176.870 -0.136 0.000 1.153 294 L CA 0.312 54.989 54.840 -0.271 0.000 0.851 294 L CB -0.804 41.117 42.059 -0.230 0.000 0.959 294 L HN 0.289 nan 8.230 nan 0.000 0.451 295 I N -2.655 117.836 120.570 -0.132 0.000 2.676 295 I HA 0.158 4.319 4.170 -0.014 0.000 0.259 295 I C 1.056 177.143 176.117 -0.051 0.000 1.194 295 I CA 0.640 61.886 61.300 -0.089 0.000 1.473 295 I CB -0.273 37.664 38.000 -0.105 0.000 1.096 295 I HN 0.057 nan 8.210 nan 0.000 0.443 296 G N 0.763 109.550 108.800 -0.023 0.000 2.706 296 G HA2 0.397 4.349 3.960 -0.014 0.000 0.307 296 G HA3 0.397 4.349 3.960 -0.014 0.000 0.307 296 G C -1.900 173.059 174.900 0.099 0.000 1.307 296 G CA -0.103 45.005 45.100 0.014 0.000 0.790 296 G HN 0.354 nan 8.290 nan 0.000 0.503 297 D N -1.410 119.012 120.400 0.036 0.000 2.358 297 D HA 0.564 5.196 4.640 -0.014 0.000 0.244 297 D C 0.136 176.412 176.300 -0.040 0.000 1.163 297 D CA -0.059 53.922 54.000 -0.030 0.000 0.945 297 D CB 0.958 41.676 40.800 -0.137 0.000 1.152 297 D HN 0.842 nan 8.370 nan 0.000 0.451 298 H N -3.842 115.088 119.070 -0.234 0.000 2.932 298 H HA 0.569 5.116 4.556 -0.014 0.000 0.307 298 H C -1.649 173.536 175.328 -0.237 0.000 1.391 298 H CA -1.155 54.771 56.048 -0.203 0.000 1.130 298 H CB 0.430 30.198 29.762 0.009 0.000 1.836 298 H HN 0.371 nan 8.280 nan 0.000 0.522 299 Y N -0.008 120.526 120.300 0.391 0.000 2.499 299 Y HA 0.441 4.982 4.550 -0.014 0.000 0.347 299 Y C -0.780 175.418 175.900 0.497 0.000 0.987 299 Y CA -1.257 57.071 58.100 0.379 0.000 1.044 299 Y CB 1.967 40.520 38.460 0.156 0.000 1.245 299 Y HN 0.614 nan 8.280 nan 0.000 0.461 300 L N 2.320 123.889 121.223 0.578 0.000 2.265 300 L HA 0.351 4.682 4.340 -0.014 0.000 0.288 300 L C -0.137 176.945 176.870 0.354 0.000 1.058 300 L CA 0.110 55.000 54.840 0.083 0.000 0.809 300 L CB 0.350 42.306 42.059 -0.172 0.000 1.179 300 L HN 1.003 nan 8.230 nan 0.000 0.429 301 C N 1.877 121.256 119.300 0.132 0.000 2.541 301 C HA 0.365 4.816 4.460 -0.014 0.000 0.284 301 C C 0.232 175.321 174.990 0.165 0.000 1.341 301 C CA 0.112 59.266 59.018 0.227 0.000 1.732 301 C CB -0.777 27.014 27.740 0.085 0.000 2.126 301 C HN 0.918 nan 8.230 nan 0.000 0.505 302 D N -0.506 119.803 120.400 -0.153 0.000 2.671 302 D HA 0.439 5.070 4.640 -0.014 0.000 0.273 302 D C -1.247 174.672 176.300 -0.635 0.000 1.264 302 D CA -0.322 53.468 54.000 -0.351 0.000 0.788 302 D CB 1.506 42.171 40.800 -0.225 0.000 1.324 302 D HN 0.238 nan 8.370 nan 0.000 0.424 303 V N -1.677 117.714 119.914 -0.872 0.000 2.656 303 V HA 0.923 5.035 4.120 -0.014 0.000 0.307 303 V C -0.902 174.763 176.094 -0.717 0.000 1.051 303 V CA -0.133 61.546 62.300 -1.035 0.000 0.893 303 V CB 1.588 32.451 31.823 -1.600 0.000 0.999 303 V HN 0.993 nan 8.190 nan 0.000 0.426 304 T N 1.715 115.950 114.554 -0.533 0.000 2.879 304 T HA 0.562 4.904 4.350 -0.014 0.000 0.290 304 T C -1.024 173.482 174.700 -0.323 0.000 0.993 304 T CA -0.283 61.663 62.100 -0.256 0.000 0.975 304 T CB 1.067 69.904 68.868 -0.052 0.000 0.981 304 T HN 0.812 nan 8.240 nan 0.000 0.439 305 W N 2.212 123.452 121.300 -0.101 0.000 2.419 305 W HA 0.528 5.180 4.660 -0.014 0.000 0.312 305 W C 1.107 177.531 176.519 -0.159 0.000 1.323 305 W CA -0.665 56.628 57.345 -0.087 0.000 1.293 305 W CB 0.723 30.217 29.460 0.056 0.000 1.324 305 W HN 0.986 nan 8.180 nan 0.000 0.512 306 A N 2.544 125.265 122.820 -0.164 0.000 2.063 306 A HA 0.194 4.505 4.320 -0.014 0.000 0.211 306 A C 0.990 178.535 177.584 -0.065 0.000 1.177 306 A CA 1.478 53.235 52.037 -0.467 0.000 0.759 306 A CB -0.131 17.994 19.000 -1.459 0.000 0.857 306 A HN 0.520 nan 8.150 nan 0.000 0.468 307 T N -6.019 108.597 114.554 0.103 0.000 2.626 307 T HA 0.278 4.619 4.350 -0.014 0.000 0.299 307 T C 0.138 175.014 174.700 0.293 0.000 1.181 307 T CA -0.301 61.907 62.100 0.179 0.000 1.053 307 T CB 0.430 69.383 68.868 0.142 0.000 1.566 307 T HN -0.106 nan 8.240 nan 0.000 0.486 308 Q N 0.873 120.808 119.800 0.227 0.000 2.226 308 Q HA -0.012 4.319 4.340 -0.014 0.000 0.204 308 Q C 0.903 177.159 176.000 0.427 0.000 0.975 308 Q CA 1.725 57.659 55.803 0.219 0.000 0.866 308 Q CB -0.189 28.635 28.738 0.143 0.000 0.915 308 Q HN 0.945 nan 8.270 nan 0.000 0.440 309 E N -0.502 119.979 120.200 0.467 0.000 3.191 309 E HA 0.335 4.676 4.350 -0.014 0.000 0.192 309 E C -0.271 176.662 176.600 0.554 0.000 0.972 309 E CA -0.233 56.514 56.400 0.579 0.000 1.266 309 E CB 0.645 30.585 29.700 0.400 0.000 1.076 309 E HN -0.100 nan 8.360 nan 0.000 0.462 310 R N 1.519 122.335 120.500 0.526 0.000 2.514 310 R HA 0.537 4.869 4.340 -0.014 0.000 0.296 310 R C -1.753 174.582 176.300 0.059 0.000 1.012 310 R CA -0.553 55.715 56.100 0.279 0.000 0.897 310 R CB 1.612 31.971 30.300 0.099 0.000 1.184 310 R HN 0.302 nan 8.270 nan 0.000 0.440 311 I N 2.287 122.723 120.570 -0.224 0.000 2.569 311 I HA 0.405 4.567 4.170 -0.014 0.000 0.296 311 I C -1.069 174.726 176.117 -0.537 0.000 1.028 311 I CA -0.450 60.441 61.300 -0.682 0.000 1.082 311 I CB 2.242 39.414 38.000 -1.380 0.000 1.264 311 I HN 0.619 nan 8.210 nan 0.000 0.429 312 S N 7.647 123.014 115.700 -0.554 0.000 2.449 312 S HA 0.622 5.083 4.470 -0.014 0.000 0.310 312 S C -0.976 173.301 174.600 -0.539 0.000 1.096 312 S CA -0.700 57.262 58.200 -0.396 0.000 1.095 312 S CB 0.708 63.808 63.200 -0.167 0.000 1.007 312 S HN 0.532 nan 8.310 nan 0.000 0.474 313 L N 4.528 125.445 121.223 -0.510 0.000 2.313 313 L HA 0.516 4.847 4.340 -0.014 0.000 0.283 313 L C 0.012 176.560 176.870 -0.536 0.000 1.013 313 L CA -0.572 53.845 54.840 -0.705 0.000 0.816 313 L CB 1.733 43.344 42.059 -0.745 0.000 1.236 313 L HN 0.660 nan 8.230 nan 0.000 0.419 314 Q N 2.678 122.129 119.800 -0.582 0.000 2.368 314 Q HA 0.318 4.649 4.340 -0.014 0.000 0.256 314 Q C -1.620 174.164 176.000 -0.358 0.000 0.980 314 Q CA -0.483 55.112 55.803 -0.347 0.000 0.887 314 Q CB 1.037 29.629 28.738 -0.243 0.000 1.221 314 Q HN 0.433 nan 8.270 nan 0.000 0.458 315 W N 3.740 125.007 121.300 -0.056 0.000 2.578 315 W HA 0.611 5.262 4.660 -0.014 0.000 0.353 315 W C -0.861 175.708 176.519 0.083 0.000 1.088 315 W CA -0.780 56.588 57.345 0.038 0.000 1.235 315 W CB 1.105 30.565 29.460 -0.001 0.000 1.362 315 W HN 0.467 nan 8.180 nan 0.000 0.592 316 L N 1.839 123.329 121.223 0.445 0.000 2.464 316 L HA 0.551 4.882 4.340 -0.014 0.000 0.266 316 L C -0.325 176.786 176.870 0.402 0.000 0.965 316 L CA -1.044 54.011 54.840 0.359 0.000 0.833 316 L CB 1.475 43.715 42.059 0.302 0.000 1.296 316 L HN 0.428 nan 8.230 nan 0.000 0.405 317 R N 2.238 122.930 120.500 0.321 0.000 2.738 317 R HA 0.221 4.553 4.340 -0.014 0.000 0.268 317 R C 1.031 177.468 176.300 0.229 0.000 1.062 317 R CA 0.123 56.365 56.100 0.236 0.000 1.158 317 R CB 0.559 30.970 30.300 0.184 0.000 1.046 317 R HN 0.695 nan 8.270 nan 0.000 0.493 318 R N 1.948 122.504 120.500 0.093 0.000 2.096 318 R HA -0.032 4.300 4.340 -0.014 0.000 0.235 318 R C 0.418 176.815 176.300 0.162 0.000 1.127 318 R CA 1.075 57.238 56.100 0.106 0.000 0.968 318 R CB 0.087 30.356 30.300 -0.051 0.000 0.861 318 R HN 0.507 nan 8.270 nan 0.000 0.440 319 I N 3.197 123.832 120.570 0.107 0.000 2.460 319 I HA -0.051 4.111 4.170 -0.014 0.000 0.297 319 I C -0.050 176.147 176.117 0.133 0.000 1.139 319 I CA 0.614 61.972 61.300 0.097 0.000 1.340 319 I CB 0.822 38.860 38.000 0.064 0.000 1.444 319 I HN 0.349 nan 8.210 nan 0.000 0.557 320 Q N 5.096 124.969 119.800 0.121 0.000 2.945 320 Q HA 0.011 4.343 4.340 -0.014 0.000 0.323 320 Q C 0.612 176.693 176.000 0.136 0.000 1.188 320 Q CA -0.105 55.779 55.803 0.136 0.000 0.929 320 Q CB -0.241 28.536 28.738 0.064 0.000 1.531 320 Q HN 0.642 nan 8.270 nan 0.000 0.444 321 N N -0.702 118.088 118.700 0.150 0.000 2.177 321 N HA -0.026 4.706 4.740 -0.014 0.000 0.218 321 N C -1.034 174.590 175.510 0.191 0.000 1.182 321 N CA -0.207 52.925 53.050 0.136 0.000 0.882 321 N CB 0.419 38.969 38.487 0.105 0.000 1.052 321 N HN 0.234 nan 8.380 nan 0.000 0.519 322 Y N 0.172 120.508 120.300 0.061 0.000 2.362 322 Y HA 0.579 5.120 4.550 -0.014 0.000 0.326 322 Y C -1.390 174.557 175.900 0.077 0.000 1.083 322 Y CA -0.863 57.270 58.100 0.055 0.000 1.073 322 Y CB 1.742 40.226 38.460 0.039 0.000 1.211 322 Y HN 0.019 nan 8.280 nan 0.000 0.433 323 S N 4.833 120.378 115.700 -0.257 0.000 2.541 323 S HA 0.853 5.314 4.470 -0.014 0.000 0.280 323 S C -2.057 172.397 174.600 -0.243 0.000 1.112 323 S CA -0.493 57.645 58.200 -0.103 0.000 0.925 323 S CB 1.309 64.496 63.200 -0.021 0.000 1.067 323 S HN 0.483 nan 8.310 nan 0.000 0.479 324 V N 5.293 125.173 119.914 -0.057 0.000 2.604 324 V HA 0.532 4.643 4.120 -0.014 0.000 0.305 324 V C -0.242 175.867 176.094 0.024 0.000 1.043 324 V CA -0.649 61.625 62.300 -0.044 0.000 0.888 324 V CB 1.908 33.746 31.823 0.025 0.000 0.995 324 V HN 0.944 nan 8.190 nan 0.000 0.429 325 M N 3.463 123.048 119.600 -0.026 0.000 2.080 325 M HA 0.385 4.857 4.480 -0.014 0.000 0.350 325 M C -1.013 175.280 176.300 -0.012 0.000 1.173 325 M CA -0.419 54.850 55.300 -0.051 0.000 1.052 325 M CB 0.927 33.463 32.600 -0.107 0.000 1.577 325 M HN 0.598 nan 8.290 nan 0.000 0.455 326 D N 4.162 124.561 120.400 -0.001 0.000 2.232 326 D HA 0.376 5.008 4.640 -0.014 0.000 0.242 326 D C -0.864 175.398 176.300 -0.063 0.000 1.093 326 D CA -0.145 53.851 54.000 -0.007 0.000 0.845 326 D CB 1.148 41.990 40.800 0.069 0.000 1.124 326 D HN 0.336 nan 8.370 nan 0.000 0.467 327 I N 3.740 124.292 120.570 -0.030 0.000 2.330 327 I HA 0.254 4.415 4.170 -0.014 0.000 0.289 327 I C -0.246 175.866 176.117 -0.009 0.000 1.001 327 I CA -0.589 60.698 61.300 -0.022 0.000 1.193 327 I CB 0.551 38.586 38.000 0.059 0.000 1.345 327 I HN 0.286 nan 8.210 nan 0.000 0.461 328 c N 4.933 123.518 118.600 -0.024 0.000 2.379 328 c HA 0.510 5.072 4.570 -0.014 0.000 0.323 328 c C -0.012 174.229 174.090 0.252 0.000 1.262 328 c CA -0.763 55.618 56.329 0.086 0.000 1.581 328 c CB 1.477 43.996 42.510 0.015 0.000 2.221 328 c HN 0.640 nan 8.230 nan 0.000 0.497 329 D N 1.272 121.845 120.400 0.289 0.000 2.502 329 D HA 0.182 4.813 4.640 -0.014 0.000 0.249 329 D C -0.935 175.406 176.300 0.069 0.000 1.092 329 D CA -0.226 53.915 54.000 0.235 0.000 0.839 329 D CB 1.926 42.784 40.800 0.097 0.000 1.264 329 D HN 0.603 nan 8.370 nan 0.000 0.511 330 Y N 1.825 121.845 120.300 -0.466 0.000 2.425 330 Y HA 0.094 4.635 4.550 -0.014 0.000 0.331 330 Y C -0.422 175.187 175.900 -0.485 0.000 1.157 330 Y CA 0.330 57.738 58.100 -1.153 0.000 1.372 330 Y CB 0.579 38.059 38.460 -1.634 0.000 1.253 330 Y HN 0.185 nan 8.280 nan 0.000 0.536 331 D N 5.490 125.254 120.400 -1.060 0.000 2.425 331 D HA 0.161 4.792 4.640 -0.014 0.000 0.240 331 D C 0.330 176.036 176.300 -0.990 0.000 1.080 331 D CA -0.270 53.277 54.000 -0.754 0.000 0.836 331 D CB 1.464 42.025 40.800 -0.398 0.000 1.125 331 D HN 0.746 nan 8.370 nan 0.000 0.525 332 E N 0.411 120.191 120.200 -0.701 0.000 2.347 332 E HA -0.065 4.277 4.350 -0.014 0.000 0.196 332 E C 1.353 177.817 176.600 -0.225 0.000 1.008 332 E CA 0.387 56.520 56.400 -0.445 0.000 0.852 332 E CB 0.351 29.991 29.700 -0.101 0.000 0.783 332 E HN 0.201 nan 8.360 nan 0.000 0.505 333 S N 0.336 115.909 115.700 -0.212 0.000 2.368 333 S HA -0.083 4.378 4.470 -0.014 0.000 0.225 333 S C 1.231 175.769 174.600 -0.104 0.000 1.030 333 S CA 0.908 59.036 58.200 -0.120 0.000 0.999 333 S CB 0.121 63.258 63.200 -0.105 0.000 0.844 333 S HN 0.144 nan 8.310 nan 0.000 0.459 334 S N -0.905 114.700 115.700 -0.158 0.000 2.702 334 S HA 0.627 5.088 4.470 -0.014 0.000 0.272 334 S C 0.818 175.359 174.600 -0.098 0.000 1.068 334 S CA -0.370 57.772 58.200 -0.097 0.000 0.964 334 S CB 0.722 63.874 63.200 -0.080 0.000 1.307 334 S HN 0.344 nan 8.310 nan 0.000 0.567 335 G N 0.238 109.036 108.800 -0.003 0.000 4.250 335 G HA2 0.371 4.323 3.960 -0.014 0.000 0.295 335 G HA3 0.371 4.323 3.960 -0.014 0.000 0.295 335 G C -0.082 174.902 174.900 0.139 0.000 1.081 335 G CA -0.366 44.824 45.100 0.150 0.000 0.854 335 G HN 0.248 nan 8.290 nan 0.000 0.524 336 R N -1.000 119.475 120.500 -0.041 0.000 2.700 336 R HA 0.665 4.996 4.340 -0.014 0.000 0.253 336 R C -1.133 175.104 176.300 -0.105 0.000 1.091 336 R CA -0.644 55.479 56.100 0.038 0.000 1.104 336 R CB 1.298 31.609 30.300 0.019 0.000 1.202 336 R HN 0.236 nan 8.270 nan 0.000 0.532 337 W N -0.282 121.049 121.300 0.052 0.000 2.761 337 W HA 0.401 5.052 4.660 -0.014 0.000 0.340 337 W C -0.303 176.215 176.519 -0.002 0.000 1.072 337 W CA -0.538 56.831 57.345 0.039 0.000 1.215 337 W CB 1.273 30.755 29.460 0.036 0.000 1.420 337 W HN 0.219 nan 8.180 nan 0.000 0.519 338 N N 2.034 120.858 118.700 0.207 0.000 2.706 338 N HA 0.230 4.962 4.740 -0.014 0.000 0.240 338 N C -0.229 175.334 175.510 0.088 0.000 1.039 338 N CA -0.123 52.985 53.050 0.097 0.000 0.888 338 N CB 1.189 39.696 38.487 0.032 0.000 1.128 338 N HN 0.390 nan 8.380 nan 0.000 0.512 339 c N 0.828 119.466 118.600 0.064 0.000 3.047 339 c HA 0.199 4.761 4.570 -0.014 0.000 0.286 339 c C 1.440 175.526 174.090 -0.006 0.000 1.337 339 c CA -0.158 56.186 56.329 0.024 0.000 1.696 339 c CB -0.541 41.971 42.510 0.004 0.000 2.160 339 c HN 0.574 nan 8.230 nan 0.000 0.545 340 L N 1.644 122.853 121.223 -0.023 0.000 2.456 340 L HA 0.391 4.722 4.340 -0.014 0.000 0.277 340 L C -0.123 176.727 176.870 -0.033 0.000 1.124 340 L CA 0.352 55.168 54.840 -0.041 0.000 0.880 340 L CB 0.159 42.184 42.059 -0.057 0.000 1.192 340 L HN 0.294 nan 8.230 nan 0.000 0.463 341 V N 3.702 123.593 119.914 -0.038 0.000 3.536 341 V HA 0.493 4.605 4.120 -0.014 0.000 0.314 341 V C 0.301 176.366 176.094 -0.049 0.000 1.591 341 V CA 0.186 62.466 62.300 -0.034 0.000 0.938 341 V CB 1.562 33.374 31.823 -0.019 0.000 1.039 341 V HN 0.563 nan 8.190 nan 0.000 0.483 342 A N 0.071 122.865 122.820 -0.043 0.000 2.276 342 A HA 0.285 4.597 4.320 -0.014 0.000 0.212 342 A C 1.318 178.842 177.584 -0.100 0.000 1.230 342 A CA 0.352 52.355 52.037 -0.057 0.000 0.844 342 A CB -0.516 18.465 19.000 -0.031 0.000 0.860 342 A HN 0.594 nan 8.150 nan 0.000 0.486 343 R N -0.257 120.177 120.500 -0.111 0.000 2.393 343 R HA 0.125 4.456 4.340 -0.014 0.000 0.244 343 R C -0.194 175.909 176.300 -0.328 0.000 0.920 343 R CA -0.075 55.935 56.100 -0.151 0.000 1.076 343 R CB 0.282 30.568 30.300 -0.023 0.000 1.119 343 R HN 0.593 nan 8.270 nan 0.000 0.524 344 Q N 0.916 120.537 119.800 -0.299 0.000 2.314 344 Q HA 0.105 4.437 4.340 -0.014 0.000 0.258 344 Q C -0.619 175.106 176.000 -0.458 0.000 0.954 344 Q CA 0.384 56.026 55.803 -0.269 0.000 0.890 344 Q CB 0.956 29.615 28.738 -0.132 0.000 1.210 344 Q HN 0.179 nan 8.270 nan 0.000 0.410 345 H N 3.002 122.044 119.070 -0.047 0.000 2.646 345 H HA 0.319 4.867 4.556 -0.014 0.000 0.328 345 H C -0.257 175.001 175.328 -0.116 0.000 0.998 345 H CA -0.527 55.479 56.048 -0.070 0.000 1.225 345 H CB 0.825 30.517 29.762 -0.117 0.000 1.457 345 H HN 0.618 nan 8.280 nan 0.000 0.505 346 I N -0.300 120.262 120.570 -0.015 0.000 2.488 346 I HA 0.538 4.699 4.170 -0.014 0.000 0.299 346 I C -0.238 175.802 176.117 -0.129 0.000 0.984 346 I CA -0.561 60.646 61.300 -0.156 0.000 1.250 346 I CB 2.035 39.921 38.000 -0.189 0.000 1.389 346 I HN 0.389 nan 8.210 nan 0.000 0.488 347 E N 6.146 126.214 120.200 -0.221 0.000 2.241 347 E HA 0.515 4.857 4.350 -0.014 0.000 0.263 347 E C -1.475 175.028 176.600 -0.162 0.000 0.882 347 E CA -0.841 55.485 56.400 -0.124 0.000 0.769 347 E CB 1.891 31.549 29.700 -0.070 0.000 1.185 347 E HN 0.676 nan 8.360 nan 0.000 0.415 348 M N 1.856 121.419 119.600 -0.062 0.000 2.436 348 M HA 0.330 4.801 4.480 -0.014 0.000 0.331 348 M C -0.320 175.991 176.300 0.018 0.000 1.135 348 M CA -0.753 54.551 55.300 0.007 0.000 0.987 348 M CB 2.228 34.872 32.600 0.072 0.000 1.687 348 M HN 0.265 nan 8.290 nan 0.000 0.445 349 S N 0.383 116.097 115.700 0.022 0.000 2.442 349 S HA 0.311 4.773 4.470 -0.014 0.000 0.297 349 S C 0.569 175.153 174.600 -0.027 0.000 1.131 349 S CA -0.412 57.776 58.200 -0.020 0.000 1.092 349 S CB 1.347 64.512 63.200 -0.058 0.000 0.998 349 S HN 0.837 nan 8.310 nan 0.000 0.478 350 T N 1.790 116.320 114.554 -0.041 0.000 3.004 350 T HA 0.017 4.358 4.350 -0.014 0.000 0.243 350 T C 1.415 176.075 174.700 -0.067 0.000 1.020 350 T CA 1.367 63.449 62.100 -0.031 0.000 1.145 350 T CB -0.335 68.526 68.868 -0.011 0.000 0.876 350 T HN 0.713 nan 8.240 nan 0.000 0.449 351 T N -0.755 113.732 114.554 -0.113 0.000 3.243 351 T HA 0.655 4.997 4.350 -0.014 0.000 0.264 351 T C 0.754 175.200 174.700 -0.423 0.000 1.000 351 T CA 0.265 62.287 62.100 -0.130 0.000 0.901 351 T CB 0.247 69.113 68.868 -0.003 0.000 1.083 351 T HN 0.576 nan 8.240 nan 0.000 0.559 352 G N 0.944 109.430 108.800 -0.524 0.000 2.591 352 G HA2 0.366 4.318 3.960 -0.014 0.000 0.104 352 G HA3 0.366 4.318 3.960 -0.014 0.000 0.104 352 G C -1.634 173.073 174.900 -0.322 0.000 1.097 352 G CA -0.365 44.267 45.100 -0.780 0.000 1.076 352 G HN 0.575 nan 8.290 nan 0.000 0.485 353 W N -0.263 120.804 121.300 -0.387 0.000 2.804 353 W HA 0.813 5.465 4.660 -0.014 0.000 0.352 353 W C -0.356 176.127 176.519 -0.059 0.000 1.153 353 W CA -1.421 55.828 57.345 -0.160 0.000 1.119 353 W CB 1.055 30.419 29.460 -0.161 0.000 1.448 353 W HN 0.353 nan 8.180 nan 0.000 0.600 354 V N 3.335 123.358 119.914 0.183 0.000 2.432 354 V HA 0.607 4.719 4.120 -0.014 0.000 0.271 354 V C 0.865 177.058 176.094 0.164 0.000 1.046 354 V CA 0.805 63.165 62.300 0.099 0.000 0.945 354 V CB -0.139 31.738 31.823 0.089 0.000 0.992 354 V HN 1.265 nan 8.190 nan 0.000 0.471 355 G N 5.555 114.402 108.800 0.078 0.000 2.782 355 G HA2 -0.212 3.740 3.960 -0.014 0.000 0.228 355 G HA3 -0.212 3.740 3.960 -0.014 0.000 0.228 355 G C 0.281 175.271 174.900 0.151 0.000 1.372 355 G CA 0.388 45.555 45.100 0.112 0.000 0.862 355 G HN 0.631 nan 8.290 nan 0.000 0.547 356 R N -1.186 119.407 120.500 0.155 0.000 2.060 356 R HA 0.293 4.624 4.340 -0.014 0.000 0.218 356 R C 2.179 178.534 176.300 0.091 0.000 1.200 356 R CA 1.873 58.034 56.100 0.102 0.000 0.935 356 R CB -0.241 30.077 30.300 0.029 0.000 0.814 356 R HN 0.409 nan 8.270 nan 0.000 0.460 357 F N 0.435 120.554 119.950 0.282 0.000 2.695 357 F HA 0.280 4.799 4.527 -0.014 0.000 0.303 357 F C 0.229 176.103 175.800 0.123 0.000 1.091 357 F CA -0.292 57.831 58.000 0.206 0.000 1.300 357 F CB 0.562 39.691 39.000 0.215 0.000 1.071 357 F HN 0.078 nan 8.300 nan 0.000 0.578 358 R N -1.836 118.825 120.500 0.270 0.000 3.231 358 R HA 0.221 4.552 4.340 -0.014 0.000 0.279 358 R C -3.460 172.936 176.300 0.159 0.000 0.990 358 R CA -1.621 54.583 56.100 0.173 0.000 0.879 358 R CB -0.495 29.898 30.300 0.156 0.000 1.289 358 R HN -0.341 nan 8.270 nan 0.000 0.529 359 P HA -0.034 nan 4.420 nan 0.000 0.264 359 P C -0.219 177.133 177.300 0.087 0.000 1.179 359 P CA 0.217 63.367 63.100 0.083 0.000 0.763 359 P CB 0.689 32.415 31.700 0.042 0.000 0.806 360 S N 1.414 117.166 115.700 0.087 0.000 2.579 360 S HA 0.047 4.509 4.470 -0.014 0.000 0.275 360 S C -0.041 174.609 174.600 0.083 0.000 1.345 360 S CA -0.512 57.755 58.200 0.112 0.000 1.031 360 S CB -0.009 63.264 63.200 0.122 0.000 0.892 360 S HN 0.331 nan 8.310 nan 0.000 0.529 361 E N 3.700 123.982 120.200 0.136 0.000 2.259 361 E HA 0.332 4.673 4.350 -0.014 0.000 0.281 361 E C -2.485 174.211 176.600 0.161 0.000 1.027 361 E CA -2.028 54.427 56.400 0.090 0.000 0.838 361 E CB 0.268 30.020 29.700 0.087 0.000 1.066 361 E HN 0.352 nan 8.360 nan 0.000 0.401 362 P HA 0.124 nan 4.420 nan 0.000 0.280 362 P C -1.122 176.174 177.300 -0.006 0.000 1.244 362 P CA -0.346 62.680 63.100 -0.124 0.000 0.784 362 P CB 0.624 31.863 31.700 -0.769 0.000 0.913 363 H N 1.961 121.018 119.070 -0.023 0.000 2.638 363 H HA 0.429 4.977 4.556 -0.014 0.000 0.317 363 H C -0.391 175.014 175.328 0.129 0.000 1.006 363 H CA -0.310 55.803 56.048 0.109 0.000 1.222 363 H CB 0.015 29.886 29.762 0.181 0.000 1.419 363 H HN 0.251 nan 8.280 nan 0.000 0.489 364 F N 1.449 121.563 119.950 0.272 0.000 2.385 364 F HA 0.225 4.743 4.527 -0.014 0.000 0.336 364 F C 1.222 177.182 175.800 0.267 0.000 1.100 364 F CA -0.704 57.454 58.000 0.263 0.000 1.116 364 F CB 1.093 40.186 39.000 0.156 0.000 1.166 364 F HN 0.455 nan 8.300 nan 0.000 0.511 365 T N 0.747 115.579 114.554 0.463 0.000 2.795 365 T HA 0.051 4.392 4.350 -0.014 0.000 0.314 365 T C 1.062 175.942 174.700 0.299 0.000 1.069 365 T CA -0.636 61.677 62.100 0.355 0.000 1.071 365 T CB 0.716 69.777 68.868 0.321 0.000 0.988 365 T HN 0.637 nan 8.240 nan 0.000 0.543 366 L N 0.292 121.650 121.223 0.225 0.000 2.005 366 L HA 0.052 4.384 4.340 -0.014 0.000 0.207 366 L C 0.795 177.764 176.870 0.165 0.000 1.072 366 L CA 1.616 56.564 54.840 0.179 0.000 0.744 366 L CB -0.334 41.810 42.059 0.141 0.000 0.895 366 L HN 0.653 nan 8.230 nan 0.000 0.433 367 D N 1.113 121.608 120.400 0.159 0.000 2.470 367 D HA 0.179 4.810 4.640 -0.014 0.000 0.226 367 D C 0.356 176.767 176.300 0.185 0.000 1.196 367 D CA 0.268 54.358 54.000 0.150 0.000 0.979 367 D CB 0.267 41.143 40.800 0.127 0.000 1.059 367 D HN 0.302 nan 8.370 nan 0.000 0.515 368 G N 1.717 110.635 108.800 0.196 0.000 3.064 368 G HA2 0.100 4.052 3.960 -0.014 0.000 0.286 368 G HA3 0.100 4.052 3.960 -0.014 0.000 0.286 368 G C 0.615 175.689 174.900 0.290 0.000 0.834 368 G CA -0.677 44.597 45.100 0.291 0.000 1.856 368 G HN 0.284 nan 8.290 nan 0.000 0.559 369 N N -0.632 118.229 118.700 0.267 0.000 2.197 369 N HA 0.190 4.921 4.740 -0.014 0.000 0.228 369 N C 0.147 175.772 175.510 0.191 0.000 1.212 369 N CA -0.410 52.786 53.050 0.244 0.000 0.883 369 N CB 1.138 39.724 38.487 0.164 0.000 1.107 369 N HN 0.126 nan 8.380 nan 0.000 0.519 370 S N 0.155 115.966 115.700 0.185 0.000 2.570 370 S HA 0.798 5.259 4.470 -0.014 0.000 0.286 370 S C -1.408 173.167 174.600 -0.042 0.000 1.099 370 S CA -0.880 57.253 58.200 -0.113 0.000 0.913 370 S CB 1.272 64.401 63.200 -0.117 0.000 1.085 370 S HN 0.361 nan 8.310 nan 0.000 0.480 371 F N -0.143 119.495 119.950 -0.521 0.000 2.668 371 F HA 0.757 5.275 4.527 -0.014 0.000 0.309 371 F C -2.204 173.317 175.800 -0.464 0.000 1.117 371 F CA -1.277 56.437 58.000 -0.477 0.000 0.951 371 F CB 0.698 39.094 39.000 -1.007 0.000 1.323 371 F HN 0.441 nan 8.300 nan 0.000 0.451 372 Y N 1.514 121.871 120.300 0.094 0.000 2.409 372 Y HA 0.704 5.245 4.550 -0.014 0.000 0.339 372 Y C -0.253 175.775 175.900 0.214 0.000 1.033 372 Y CA -0.927 57.217 58.100 0.073 0.000 1.094 372 Y CB 2.125 40.602 38.460 0.028 0.000 1.210 372 Y HN 0.758 nan 8.280 nan 0.000 0.456 373 K N 2.319 122.917 120.400 0.330 0.000 2.523 373 K HA 0.583 4.894 4.320 -0.014 0.000 0.257 373 K C -1.737 174.976 176.600 0.187 0.000 0.932 373 K CA -0.593 55.866 56.287 0.286 0.000 0.812 373 K CB 1.582 34.301 32.500 0.366 0.000 1.326 373 K HN 0.677 nan 8.250 nan 0.000 0.433 374 I N 4.729 125.380 120.570 0.134 0.000 2.441 374 I HA 0.303 4.465 4.170 -0.014 0.000 0.287 374 I C -0.166 176.032 176.117 0.134 0.000 1.049 374 I CA -0.032 61.333 61.300 0.109 0.000 1.381 374 I CB 0.621 38.670 38.000 0.082 0.000 1.409 374 I HN 0.410 nan 8.210 nan 0.000 0.523 375 I N 4.260 124.929 120.570 0.165 0.000 2.827 375 I HA 0.202 4.364 4.170 -0.014 0.000 0.298 375 I C -0.223 176.025 176.117 0.218 0.000 1.235 375 I CA -0.750 60.662 61.300 0.187 0.000 1.021 375 I CB 2.452 40.566 38.000 0.190 0.000 1.259 375 I HN 0.563 nan 8.210 nan 0.000 0.427 376 S N 3.635 119.410 115.700 0.126 0.000 2.528 376 S HA 0.306 4.768 4.470 -0.014 0.000 0.277 376 S C -0.263 174.397 174.600 0.100 0.000 1.297 376 S CA -0.546 57.686 58.200 0.053 0.000 1.052 376 S CB 0.689 63.865 63.200 -0.039 0.000 0.917 376 S HN 0.683 nan 8.310 nan 0.000 0.492 377 N N 2.448 121.120 118.700 -0.046 0.000 2.593 377 N HA 0.272 5.003 4.740 -0.014 0.000 0.304 377 N C 0.553 175.977 175.510 -0.144 0.000 1.296 377 N CA -0.715 52.197 53.050 -0.231 0.000 0.950 377 N CB -0.340 37.645 38.487 -0.837 0.000 1.127 377 N HN 0.698 nan 8.380 nan 0.000 0.587 378 E N -0.739 119.350 120.200 -0.185 0.000 2.153 378 E HA -0.107 4.234 4.350 -0.014 0.000 0.194 378 E C 0.621 177.170 176.600 -0.086 0.000 0.988 378 E CA 1.026 57.366 56.400 -0.099 0.000 0.811 378 E CB -0.010 29.631 29.700 -0.097 0.000 0.746 378 E HN 0.553 nan 8.360 nan 0.000 0.466 379 E N -0.386 119.762 120.200 -0.086 0.000 2.489 379 E HA 0.044 4.386 4.350 -0.014 0.000 0.193 379 E C 0.922 177.481 176.600 -0.069 0.000 1.057 379 E CA 0.573 56.967 56.400 -0.009 0.000 0.866 379 E CB 0.930 30.680 29.700 0.083 0.000 0.916 379 E HN 0.356 nan 8.360 nan 0.000 0.500 380 G N 1.194 109.908 108.800 -0.143 0.000 2.165 380 G HA2 -0.259 3.692 3.960 -0.014 0.000 0.226 380 G HA3 -0.259 3.692 3.960 -0.014 0.000 0.226 380 G C -0.520 174.081 174.900 -0.499 0.000 1.035 380 G CA -0.218 44.700 45.100 -0.303 0.000 0.744 380 G HN 0.185 nan 8.290 nan 0.000 0.501 381 Y N -0.608 119.607 120.300 -0.143 0.000 2.393 381 Y HA 0.655 5.196 4.550 -0.014 0.000 0.341 381 Y C 0.931 176.785 175.900 -0.076 0.000 0.988 381 Y CA -1.072 56.956 58.100 -0.120 0.000 1.078 381 Y CB 1.381 39.792 38.460 -0.082 0.000 1.203 381 Y HN 0.125 nan 8.280 nan 0.000 0.453 382 R N 2.686 123.157 120.500 -0.049 0.000 2.296 382 R HA 0.321 4.652 4.340 -0.014 0.000 0.323 382 R C -1.092 175.024 176.300 -0.307 0.000 1.067 382 R CA 0.048 56.101 56.100 -0.079 0.000 0.946 382 R CB 0.052 30.317 30.300 -0.058 0.000 0.991 382 R HN 0.700 nan 8.270 nan 0.000 0.448 383 H N 0.831 119.862 119.070 -0.066 0.000 2.941 383 H HA 0.401 4.948 4.556 -0.014 0.000 0.344 383 H C -0.464 174.894 175.328 0.050 0.000 1.235 383 H CA -0.776 55.202 56.048 -0.117 0.000 1.149 383 H CB 1.265 30.865 29.762 -0.269 0.000 1.885 383 H HN 0.335 nan 8.280 nan 0.000 0.558 384 I N 1.149 121.782 120.570 0.104 0.000 2.352 384 I HA 0.122 4.284 4.170 -0.014 0.000 0.290 384 I C -0.291 175.847 176.117 0.036 0.000 1.036 384 I CA 0.030 61.359 61.300 0.048 0.000 1.336 384 I CB 0.321 38.289 38.000 -0.053 0.000 1.407 384 I HN 0.272 nan 8.210 nan 0.000 0.497 385 c N 6.921 125.448 118.600 -0.122 0.000 2.355 385 c HA 0.384 4.946 4.570 -0.014 0.000 0.332 385 c C -0.231 173.534 174.090 -0.542 0.000 1.255 385 c CA -0.542 55.464 56.329 -0.539 0.000 1.792 385 c CB 0.705 42.630 42.510 -0.975 0.000 2.300 385 c HN 0.662 nan 8.230 nan 0.000 0.515 386 Y N 3.916 123.722 120.300 -0.823 0.000 2.323 386 Y HA 0.653 5.195 4.550 -0.014 0.000 0.331 386 Y C -1.027 174.188 175.900 -1.142 0.000 1.092 386 Y CA -0.390 57.126 58.100 -0.972 0.000 1.150 386 Y CB 0.448 38.421 38.460 -0.812 0.000 1.200 386 Y HN 0.634 nan 8.280 nan 0.000 0.472 387 F N 3.745 122.657 119.950 -1.730 0.000 2.508 387 F HA 0.473 4.991 4.527 -0.014 0.000 0.325 387 F C -0.475 174.479 175.800 -1.409 0.000 1.090 387 F CA -0.779 56.292 58.000 -1.548 0.000 0.945 387 F CB 2.056 39.662 39.000 -2.323 0.000 1.156 387 F HN 0.413 nan 8.300 nan 0.000 0.463 388 Q N 3.071 122.542 119.800 -0.548 0.000 2.282 388 Q HA 0.405 4.737 4.340 -0.014 0.000 0.260 388 Q C 1.026 177.035 176.000 0.014 0.000 0.964 388 Q CA -0.584 55.075 55.803 -0.241 0.000 0.880 388 Q CB 2.460 31.158 28.738 -0.068 0.000 1.286 388 Q HN 0.786 nan 8.270 nan 0.000 0.445 389 I N -2.133 118.518 120.570 0.136 0.000 2.614 389 I HA -0.036 4.125 4.170 -0.014 0.000 0.258 389 I C -0.030 176.265 176.117 0.297 0.000 1.189 389 I CA 0.774 62.293 61.300 0.365 0.000 1.462 389 I CB 0.164 38.362 38.000 0.331 0.000 1.092 389 I HN 0.325 nan 8.210 nan 0.000 0.442 390 D N 4.009 124.510 120.400 0.169 0.000 2.524 390 D HA 0.219 4.850 4.640 -0.014 0.000 0.222 390 D C 0.015 176.366 176.300 0.084 0.000 1.142 390 D CA -0.018 54.040 54.000 0.096 0.000 0.973 390 D CB 0.633 41.474 40.800 0.069 0.000 1.025 390 D HN 0.332 nan 8.370 nan 0.000 0.519 391 K N 1.128 121.565 120.400 0.062 0.000 1.595 391 K HA -0.275 4.036 4.320 -0.014 0.000 0.597 391 K C 0.032 176.703 176.600 0.118 0.000 1.876 391 K CA 0.437 56.751 56.287 0.046 0.000 0.933 391 K CB -0.375 32.135 32.500 0.017 0.000 1.604 391 K HN 0.471 nan 8.250 nan 0.000 0.626 392 K N -0.792 119.650 120.400 0.069 0.000 2.415 392 K HA -0.174 4.137 4.320 -0.014 0.000 0.845 392 K C -0.269 176.378 176.600 0.078 0.000 2.280 392 K CA 1.086 57.403 56.287 0.051 0.000 1.466 392 K CB -0.683 31.833 32.500 0.027 0.000 2.745 392 K HN 0.662 nan 8.250 nan 0.000 0.172 393 D N -0.521 119.884 120.400 0.009 0.000 2.626 393 D HA 0.355 4.986 4.640 -0.014 0.000 0.260 393 D C 0.574 176.772 176.300 -0.170 0.000 1.281 393 D CA 1.019 55.014 54.000 -0.009 0.000 1.098 393 D CB 0.107 40.876 40.800 -0.053 0.000 0.923 393 D HN 0.744 nan 8.370 nan 0.000 0.233 394 c N -1.398 116.965 118.600 -0.395 0.000 3.312 394 c HA 0.693 5.255 4.570 -0.014 0.000 0.332 394 c C -1.363 172.340 174.090 -0.644 0.000 1.340 394 c CA -0.639 55.195 56.329 -0.826 0.000 1.265 394 c CB 1.301 42.842 42.510 -1.615 0.000 1.563 394 c HN 0.388 nan 8.230 nan 0.000 0.471 395 T N 2.109 116.268 114.554 -0.659 0.000 2.815 395 T HA 0.529 4.870 4.350 -0.014 0.000 0.289 395 T C -0.685 173.706 174.700 -0.515 0.000 1.000 395 T CA 0.070 61.899 62.100 -0.452 0.000 0.958 395 T CB 0.523 69.222 68.868 -0.281 0.000 0.944 395 T HN 0.519 nan 8.240 nan 0.000 0.442 396 F N 3.023 122.788 119.950 -0.308 0.000 2.529 396 F HA 0.272 4.790 4.527 -0.014 0.000 0.365 396 F C 1.677 177.250 175.800 -0.378 0.000 1.102 396 F CA -0.443 57.381 58.000 -0.294 0.000 1.271 396 F CB 0.614 39.469 39.000 -0.243 0.000 1.120 396 F HN 0.593 nan 8.300 nan 0.000 0.579 397 I N -0.840 119.632 120.570 -0.162 0.000 4.240 397 I HA 0.271 4.433 4.170 -0.014 0.000 0.331 397 I C -0.128 175.953 176.117 -0.061 0.000 1.381 397 I CA -0.085 61.022 61.300 -0.321 0.000 1.136 397 I CB 0.163 37.883 38.000 -0.466 0.000 1.137 397 I HN 0.505 nan 8.210 nan 0.000 0.411 398 T N -0.193 114.343 114.554 -0.030 0.000 2.901 398 T HA 0.655 4.996 4.350 -0.014 0.000 0.293 398 T C -0.734 173.751 174.700 -0.359 0.000 1.084 398 T CA -0.658 61.427 62.100 -0.026 0.000 1.008 398 T CB 2.820 71.726 68.868 0.064 0.000 1.170 398 T HN 0.420 nan 8.240 nan 0.000 0.509 399 K N -0.105 119.958 120.400 -0.562 0.000 2.587 399 K HA 0.671 4.983 4.320 -0.014 0.000 0.276 399 K C -0.794 175.305 176.600 -0.836 0.000 0.956 399 K CA -0.557 55.053 56.287 -1.129 0.000 0.857 399 K CB 1.552 33.690 32.500 -0.604 0.000 1.431 399 K HN 1.601 nan 8.250 nan 0.000 0.420 400 G N 0.304 108.537 108.800 -0.946 0.000 2.347 400 G HA2 0.073 4.025 3.960 -0.014 0.000 0.321 400 G HA3 0.073 4.025 3.960 -0.014 0.000 0.321 400 G C -0.638 173.787 174.900 -0.790 0.000 1.412 400 G CA -0.272 44.465 45.100 -0.604 0.000 0.990 400 G HN 0.838 nan 8.290 nan 0.000 0.637 401 T N -0.356 113.842 114.554 -0.593 0.000 4.320 401 T HA 0.506 4.848 4.350 -0.014 0.000 0.221 401 T C 0.202 174.652 174.700 -0.416 0.000 0.896 401 T CA 0.516 62.040 62.100 -0.960 0.000 0.928 401 T CB -1.020 67.540 68.868 -0.513 0.000 1.369 401 T HN 1.422 nan 8.240 nan 0.000 0.836 402 W N -0.521 120.572 121.300 -0.345 0.000 3.059 402 W HA 0.593 5.245 4.660 -0.014 0.000 0.329 402 W C -1.465 174.997 176.519 -0.095 0.000 1.246 402 W CA -0.946 56.336 57.345 -0.105 0.000 1.190 402 W CB 0.772 30.179 29.460 -0.089 0.000 1.423 402 W HN 0.082 nan 8.180 nan 0.000 0.571 403 E N 1.357 121.701 120.200 0.239 0.000 2.199 403 E HA 0.403 4.745 4.350 -0.014 0.000 0.269 403 E C -0.678 176.012 176.600 0.149 0.000 0.899 403 E CA -1.138 55.252 56.400 -0.016 0.000 0.772 403 E CB 3.380 33.153 29.700 0.122 0.000 1.155 403 E HN 0.191 nan 8.360 nan 0.000 0.408 404 V N 4.294 124.167 119.914 -0.068 0.000 2.521 404 V HA -0.005 4.107 4.120 -0.014 0.000 0.286 404 V C 1.169 177.347 176.094 0.139 0.000 1.034 404 V CA 0.547 62.912 62.300 0.108 0.000 1.045 404 V CB 0.360 32.144 31.823 -0.065 0.000 0.974 404 V HN 0.681 nan 8.190 nan 0.000 0.480 405 I N 3.185 123.871 120.570 0.193 0.000 2.494 405 I HA 0.321 4.483 4.170 -0.014 0.000 0.250 405 I C 1.204 177.448 176.117 0.213 0.000 1.112 405 I CA 1.104 62.525 61.300 0.203 0.000 1.438 405 I CB 0.011 38.070 38.000 0.098 0.000 1.111 405 I HN 0.747 nan 8.210 nan 0.000 0.431 406 G N 0.380 109.306 108.800 0.210 0.000 2.742 406 G HA2 0.616 4.568 3.960 -0.014 0.000 0.296 406 G HA3 0.616 4.568 3.960 -0.014 0.000 0.296 406 G C -1.277 173.754 174.900 0.218 0.000 1.436 406 G CA -0.525 44.702 45.100 0.212 0.000 0.928 406 G HN -0.062 nan 8.290 nan 0.000 0.520 407 I N 1.783 122.438 120.570 0.142 0.000 2.352 407 I HA 0.223 4.384 4.170 -0.014 0.000 0.290 407 I C 0.753 177.003 176.117 0.222 0.000 1.036 407 I CA -0.473 60.878 61.300 0.086 0.000 1.336 407 I CB 1.674 39.460 38.000 -0.358 0.000 1.407 407 I HN 0.484 nan 8.210 nan 0.000 0.497 408 E N 5.026 125.375 120.200 0.250 0.000 2.307 408 E HA 0.301 4.642 4.350 -0.014 0.000 0.195 408 E C 0.166 176.859 176.600 0.155 0.000 0.975 408 E CA 0.208 56.779 56.400 0.284 0.000 0.878 408 E CB 0.796 30.727 29.700 0.385 0.000 0.845 408 E HN 0.674 nan 8.360 nan 0.000 0.488 409 A N 0.773 123.600 122.820 0.012 0.000 2.577 409 A HA 0.541 4.852 4.320 -0.014 0.000 0.297 409 A C -1.886 175.696 177.584 -0.003 0.000 1.060 409 A CA -0.664 51.248 52.037 -0.208 0.000 0.697 409 A CB 1.128 19.462 19.000 -1.109 0.000 1.281 409 A HN 0.052 nan 8.150 nan 0.000 0.402 410 L N 1.773 123.019 121.223 0.040 0.000 2.345 410 L HA 0.736 5.067 4.340 -0.014 0.000 0.274 410 L C 0.036 176.955 176.870 0.082 0.000 0.999 410 L CA 0.327 55.216 54.840 0.081 0.000 0.849 410 L CB 1.605 43.748 42.059 0.141 0.000 1.220 410 L HN 0.803 nan 8.230 nan 0.000 0.422 411 T N 0.850 115.469 114.554 0.109 0.000 2.937 411 T HA 0.307 4.648 4.350 -0.014 0.000 0.283 411 T C 1.118 175.884 174.700 0.111 0.000 1.012 411 T CA 0.156 62.325 62.100 0.116 0.000 0.997 411 T CB 1.311 70.281 68.868 0.170 0.000 1.136 411 T HN 0.711 nan 8.240 nan 0.000 0.551 412 S N 0.760 116.522 115.700 0.102 0.000 2.653 412 S HA 0.028 4.489 4.470 -0.014 0.000 0.233 412 S C 0.406 175.031 174.600 0.042 0.000 0.970 412 S CA 0.743 58.994 58.200 0.084 0.000 0.947 412 S CB -0.185 63.061 63.200 0.078 0.000 0.771 412 S HN 0.748 nan 8.310 nan 0.000 0.538 413 D N -1.802 118.612 120.400 0.023 0.000 2.249 413 D HA 0.162 4.793 4.640 -0.014 0.000 0.371 413 D C -0.916 175.129 176.300 -0.426 0.000 1.055 413 D CA 0.080 53.988 54.000 -0.154 0.000 0.897 413 D CB 0.536 41.285 40.800 -0.086 0.000 1.466 413 D HN 0.390 nan 8.370 nan 0.000 0.516 414 Y N 0.715 120.996 120.300 -0.031 0.000 2.534 414 Y HA 0.476 5.017 4.550 -0.014 0.000 0.345 414 Y C -0.915 174.897 175.900 -0.147 0.000 1.031 414 Y CA -0.935 57.081 58.100 -0.140 0.000 1.022 414 Y CB 2.561 40.861 38.460 -0.267 0.000 1.292 414 Y HN -0.200 nan 8.280 nan 0.000 0.459 415 L N 3.314 124.499 121.223 -0.064 0.000 2.313 415 L HA 0.612 4.943 4.340 -0.014 0.000 0.283 415 L C -1.770 175.065 176.870 -0.057 0.000 1.013 415 L CA -0.529 54.269 54.840 -0.069 0.000 0.816 415 L CB 0.748 42.668 42.059 -0.231 0.000 1.236 415 L HN 0.642 nan 8.230 nan 0.000 0.419 416 Y N 4.808 125.106 120.300 -0.003 0.000 2.342 416 Y HA 0.527 5.068 4.550 -0.014 0.000 0.334 416 Y C -0.480 175.506 175.900 0.144 0.000 1.067 416 Y CA -0.371 57.736 58.100 0.012 0.000 1.128 416 Y CB 1.351 39.757 38.460 -0.090 0.000 1.200 416 Y HN 0.564 nan 8.280 nan 0.000 0.464 417 Y N 0.670 121.083 120.300 0.188 0.000 2.597 417 Y HA 0.718 5.259 4.550 -0.014 0.000 0.340 417 Y C -1.781 174.235 175.900 0.194 0.000 1.097 417 Y CA -1.818 56.377 58.100 0.158 0.000 1.037 417 Y CB 0.991 39.510 38.460 0.099 0.000 1.305 417 Y HN 0.290 nan 8.280 nan 0.000 0.463 418 I N 3.306 124.045 120.570 0.281 0.000 2.437 418 I HA 0.599 4.760 4.170 -0.014 0.000 0.298 418 I C 0.031 176.320 176.117 0.287 0.000 0.984 418 I CA -0.240 61.175 61.300 0.192 0.000 1.214 418 I CB 1.510 39.582 38.000 0.119 0.000 1.365 418 I HN 0.874 nan 8.210 nan 0.000 0.469 419 S N 3.832 119.662 115.700 0.217 0.000 2.607 419 S HA 0.431 4.893 4.470 -0.014 0.000 0.273 419 S C -0.436 174.201 174.600 0.061 0.000 1.148 419 S CA -0.826 57.481 58.200 0.178 0.000 0.833 419 S CB 1.870 65.151 63.200 0.134 0.000 1.130 419 S HN 0.604 nan 8.310 nan 0.000 0.470 420 N N 0.122 118.852 118.700 0.051 0.000 2.380 420 N HA 0.163 4.895 4.740 -0.014 0.000 0.255 420 N C 0.544 176.019 175.510 -0.058 0.000 1.158 420 N CA -0.407 52.635 53.050 -0.013 0.000 0.878 420 N CB 0.320 38.788 38.487 -0.032 0.000 1.138 420 N HN 0.787 nan 8.380 nan 0.000 0.509 421 E N -0.009 120.015 120.200 -0.292 0.000 2.106 421 E HA -0.171 4.170 4.350 -0.014 0.000 0.192 421 E C -0.462 175.972 176.600 -0.276 0.000 0.984 421 E CA 0.258 56.241 56.400 -0.695 0.000 0.806 421 E CB -0.012 28.624 29.700 -1.773 0.000 0.750 421 E HN 0.552 nan 8.360 nan 0.000 0.458 422 Y N 1.604 121.791 120.300 -0.188 0.000 2.632 422 Y HA -0.101 4.441 4.550 -0.014 0.000 0.329 422 Y C 0.451 176.302 175.900 -0.082 0.000 1.174 422 Y CA 0.802 58.843 58.100 -0.098 0.000 1.469 422 Y CB 0.278 38.711 38.460 -0.045 0.000 1.242 422 Y HN 0.031 nan 8.280 nan 0.000 0.540 423 K N 3.534 123.586 120.400 -0.581 0.000 3.407 423 K HA -0.228 4.084 4.320 -0.014 0.000 0.312 423 K C 0.730 177.221 176.600 -0.182 0.000 1.302 423 K CA 0.717 56.737 56.287 -0.446 0.000 0.931 423 K CB -1.858 30.361 32.500 -0.468 0.000 1.257 423 K HN 1.259 nan 8.250 nan 0.000 0.454 424 G N 0.989 109.706 108.800 -0.139 0.000 2.283 424 G HA2 -0.328 3.624 3.960 -0.014 0.000 0.280 424 G HA3 -0.328 3.624 3.960 -0.014 0.000 0.280 424 G C -0.017 174.840 174.900 -0.071 0.000 1.029 424 G CA 0.830 45.897 45.100 -0.055 0.000 0.840 424 G HN 0.328 nan 8.290 nan 0.000 0.505 425 M N 0.475 119.979 119.600 -0.160 0.000 2.103 425 M HA 0.251 4.722 4.480 -0.014 0.000 0.350 425 M C -0.977 175.109 176.300 -0.356 0.000 1.100 425 M CA -2.277 52.808 55.300 -0.358 0.000 1.042 425 M CB 1.652 34.100 32.600 -0.254 0.000 1.368 425 M HN -0.100 nan 8.290 nan 0.000 0.404 426 P HA -0.143 nan 4.420 nan 0.000 0.217 426 P C 1.139 178.296 177.300 -0.238 0.000 1.151 426 P CA 1.371 64.304 63.100 -0.278 0.000 0.849 426 P CB 0.014 31.525 31.700 -0.315 0.000 0.787 427 G N -1.087 107.509 108.800 -0.340 0.000 2.920 427 G HA2 0.226 4.178 3.960 -0.014 0.000 0.208 427 G HA3 0.226 4.178 3.960 -0.014 0.000 0.208 427 G C 0.735 175.624 174.900 -0.017 0.000 1.159 427 G CA 0.244 45.269 45.100 -0.125 0.000 0.784 427 G HN 0.445 nan 8.290 nan 0.000 0.535 428 G N -0.303 108.431 108.800 -0.110 0.000 2.461 428 G HA2 0.644 4.595 3.960 -0.014 0.000 0.329 428 G HA3 0.644 4.595 3.960 -0.014 0.000 0.329 428 G C -0.722 174.044 174.900 -0.223 0.000 1.170 428 G CA -0.798 44.254 45.100 -0.081 0.000 0.935 428 G HN 0.119 nan 8.290 nan 0.000 0.492 429 R N 0.568 120.897 120.500 -0.285 0.000 2.533 429 R HA 0.337 4.669 4.340 -0.014 0.000 0.288 429 R C -1.402 174.855 176.300 -0.072 0.000 1.039 429 R CA -0.741 55.176 56.100 -0.303 0.000 0.909 429 R CB 2.168 32.044 30.300 -0.706 0.000 1.195 429 R HN 0.681 nan 8.270 nan 0.000 0.438 430 N N 0.834 119.526 118.700 -0.014 0.000 2.284 430 N HA 0.408 5.139 4.740 -0.014 0.000 0.289 430 N C -1.255 174.135 175.510 -0.199 0.000 1.179 430 N CA -0.743 52.234 53.050 -0.121 0.000 0.774 430 N CB 2.600 40.925 38.487 -0.271 0.000 1.548 430 N HN 0.271 nan 8.380 nan 0.000 0.473 431 L N 2.441 123.403 121.223 -0.436 0.000 2.305 431 L HA 0.460 4.792 4.340 -0.014 0.000 0.281 431 L C -1.330 175.151 176.870 -0.647 0.000 1.085 431 L CA -0.238 54.368 54.840 -0.389 0.000 0.813 431 L CB 0.177 42.005 42.059 -0.385 0.000 1.157 431 L HN 0.642 nan 8.230 nan 0.000 0.436 432 Y N 4.038 124.017 120.300 -0.535 0.000 2.536 432 Y HA 0.456 4.997 4.550 -0.014 0.000 0.347 432 Y C -0.363 175.207 175.900 -0.550 0.000 1.000 432 Y CA -0.807 56.909 58.100 -0.639 0.000 1.051 432 Y CB 1.947 39.773 38.460 -1.057 0.000 1.259 432 Y HN 0.434 nan 8.280 nan 0.000 0.468 433 K N 2.687 122.930 120.400 -0.262 0.000 2.426 433 K HA 0.800 5.112 4.320 -0.014 0.000 0.251 433 K C -2.056 174.522 176.600 -0.036 0.000 0.941 433 K CA -0.690 55.396 56.287 -0.335 0.000 0.808 433 K CB 2.798 34.885 32.500 -0.687 0.000 1.265 433 K HN 0.809 nan 8.250 nan 0.000 0.432 434 I N 1.784 122.394 120.570 0.067 0.000 2.686 434 I HA 0.165 4.326 4.170 -0.014 0.000 0.295 434 I C -0.787 175.388 176.117 0.097 0.000 1.114 434 I CA -0.819 60.573 61.300 0.154 0.000 1.038 434 I CB 2.557 40.695 38.000 0.231 0.000 1.238 434 I HN 0.727 nan 8.210 nan 0.000 0.420 435 Q N 4.565 124.384 119.800 0.032 0.000 2.352 435 Q HA 0.097 4.428 4.340 -0.014 0.000 0.260 435 Q C 0.472 176.393 176.000 -0.131 0.000 0.976 435 Q CA -0.236 55.454 55.803 -0.189 0.000 0.881 435 Q CB 1.967 30.610 28.738 -0.159 0.000 1.235 435 Q HN 0.593 nan 8.270 nan 0.000 0.419 436 L N 2.412 123.500 121.223 -0.225 0.000 1.988 436 L HA -0.178 4.154 4.340 -0.014 0.000 0.207 436 L C 2.222 179.081 176.870 -0.017 0.000 1.071 436 L CA 2.084 56.873 54.840 -0.085 0.000 0.744 436 L CB -0.766 41.236 42.059 -0.095 0.000 0.893 436 L HN 0.682 nan 8.230 nan 0.000 0.433 437 S N -0.521 115.133 115.700 -0.078 0.000 2.344 437 S HA -0.117 4.344 4.470 -0.014 0.000 0.217 437 S C 0.415 174.955 174.600 -0.100 0.000 1.033 437 S CA 1.041 59.199 58.200 -0.071 0.000 1.017 437 S CB -0.638 62.510 63.200 -0.086 0.000 0.941 437 S HN 0.694 nan 8.310 nan 0.000 0.430 438 D N 0.963 121.271 120.400 -0.153 0.000 2.412 438 D HA 0.110 4.742 4.640 -0.014 0.000 0.224 438 D C -0.223 175.940 176.300 -0.228 0.000 1.093 438 D CA -0.556 53.278 54.000 -0.277 0.000 0.850 438 D CB 0.419 41.081 40.800 -0.230 0.000 1.046 438 D HN 0.700 nan 8.370 nan 0.000 0.507 439 Y N -0.242 120.024 120.300 -0.058 0.000 2.496 439 Y HA 0.212 4.754 4.550 -0.014 0.000 0.313 439 Y C 1.388 177.287 175.900 -0.001 0.000 1.184 439 Y CA -0.720 57.362 58.100 -0.030 0.000 1.275 439 Y CB -0.043 38.403 38.460 -0.023 0.000 1.103 439 Y HN 0.108 nan 8.280 nan 0.000 0.513 440 T N -0.808 113.687 114.554 -0.099 0.000 3.067 440 T HA -0.007 4.334 4.350 -0.014 0.000 0.261 440 T C 0.608 175.330 174.700 0.036 0.000 1.110 440 T CA 0.548 62.637 62.100 -0.019 0.000 1.113 440 T CB -0.120 68.688 68.868 -0.101 0.000 0.917 440 T HN -0.002 nan 8.240 nan 0.000 0.499 441 K N 2.447 122.864 120.400 0.029 0.000 2.220 441 K HA 0.361 4.673 4.320 -0.014 0.000 0.283 441 K C -1.137 175.517 176.600 0.091 0.000 1.098 441 K CA -0.095 56.219 56.287 0.045 0.000 0.928 441 K CB 0.335 32.851 32.500 0.027 0.000 1.214 441 K HN -0.019 nan 8.250 nan 0.000 0.442 442 V N 3.425 123.397 119.914 0.097 0.000 2.357 442 V HA 0.343 4.454 4.120 -0.014 0.000 0.284 442 V C -0.260 175.884 176.094 0.084 0.000 1.018 442 V CA -0.592 61.786 62.300 0.130 0.000 0.841 442 V CB 1.816 33.741 31.823 0.171 0.000 0.991 442 V HN 0.647 nan 8.190 nan 0.000 0.437 443 T N 3.964 118.543 114.554 0.041 0.000 2.807 443 T HA 0.276 4.618 4.350 -0.014 0.000 0.279 443 T C -0.455 174.159 174.700 -0.144 0.000 0.993 443 T CA -0.287 61.784 62.100 -0.049 0.000 0.970 443 T CB 1.349 70.164 68.868 -0.090 0.000 0.950 443 T HN 0.713 nan 8.240 nan 0.000 0.441 444 C N 4.844 123.984 119.300 -0.266 0.000 2.347 444 C HA 0.473 4.924 4.460 -0.014 0.000 0.353 444 C C 1.607 176.283 174.990 -0.523 0.000 1.273 444 C CA -0.585 58.047 59.018 -0.643 0.000 1.861 444 C CB -1.637 25.637 27.740 -0.778 0.000 2.420 444 C HN 1.001 nan 8.230 nan 0.000 0.542 445 L N 4.375 125.257 121.223 -0.568 0.000 2.446 445 L HA 0.079 4.411 4.340 -0.014 0.000 0.219 445 L C 2.129 178.676 176.870 -0.539 0.000 1.116 445 L CA 0.946 55.519 54.840 -0.446 0.000 0.844 445 L CB -0.099 41.737 42.059 -0.372 0.000 0.970 445 L HN 0.888 nan 8.230 nan 0.000 0.457 446 S N -3.508 111.771 115.700 -0.701 0.000 2.593 446 S HA -0.008 4.454 4.470 -0.014 0.000 0.235 446 S C 1.818 176.006 174.600 -0.686 0.000 1.059 446 S CA -0.124 57.535 58.200 -0.902 0.000 0.953 446 S CB -0.337 61.970 63.200 -1.487 0.000 0.897 446 S HN 0.272 nan 8.310 nan 0.000 0.507 447 C N 2.277 121.175 119.300 -0.671 0.000 2.398 447 C HA 0.005 4.457 4.460 -0.014 0.000 0.276 447 C C 2.392 177.081 174.990 -0.502 0.000 1.222 447 C CA 1.382 59.944 59.018 -0.759 0.000 1.746 447 C CB -1.028 26.046 27.740 -1.110 0.000 2.039 447 C HN 0.707 nan 8.230 nan 0.000 0.470 448 E N -0.413 119.572 120.200 -0.357 0.000 2.476 448 E HA 0.171 4.513 4.350 -0.014 0.000 0.196 448 E C 1.791 178.320 176.600 -0.118 0.000 1.029 448 E CA -0.259 56.030 56.400 -0.186 0.000 0.896 448 E CB 0.082 29.696 29.700 -0.143 0.000 1.012 448 E HN 0.592 nan 8.360 nan 0.000 0.475 449 L N 0.313 121.455 121.223 -0.135 0.000 2.042 449 L HA -0.160 4.171 4.340 -0.014 0.000 0.210 449 L C 0.266 177.136 176.870 -0.001 0.000 1.076 449 L CA 1.490 56.292 54.840 -0.064 0.000 0.749 449 L CB 0.026 42.049 42.059 -0.060 0.000 0.893 449 L HN 0.139 nan 8.230 nan 0.000 0.432 450 N N -2.611 116.104 118.700 0.025 0.000 2.861 450 N HA 0.029 4.761 4.740 -0.014 0.000 0.203 450 N C -2.207 173.318 175.510 0.024 0.000 1.339 450 N CA -0.336 52.729 53.050 0.025 0.000 1.208 450 N CB 0.841 39.346 38.487 0.030 0.000 1.579 450 N HN -0.067 nan 8.380 nan 0.000 0.583 451 P HA -0.141 nan 4.420 nan 0.000 0.221 451 P C 0.468 177.799 177.300 0.052 0.000 1.150 451 P CA 1.258 64.392 63.100 0.056 0.000 0.800 451 P CB 0.463 32.211 31.700 0.079 0.000 0.787 452 E N 0.380 120.596 120.200 0.026 0.000 2.028 452 E HA -0.116 4.225 4.350 -0.014 0.000 0.190 452 E C 2.420 179.015 176.600 -0.009 0.000 0.984 452 E CA 0.691 57.099 56.400 0.013 0.000 0.800 452 E CB -0.453 29.249 29.700 0.003 0.000 0.758 452 E HN 0.141 nan 8.360 nan 0.000 0.448 453 R N 0.078 120.559 120.500 -0.032 0.000 2.119 453 R HA 0.048 4.380 4.340 -0.014 0.000 0.222 453 R C -0.156 176.085 176.300 -0.098 0.000 1.088 453 R CA 0.700 56.757 56.100 -0.072 0.000 0.984 453 R CB 0.228 30.476 30.300 -0.087 0.000 0.884 453 R HN 0.150 nan 8.270 nan 0.000 0.447 454 c N 0.672 119.220 118.600 -0.088 0.000 2.356 454 c HA 0.380 4.942 4.570 -0.014 0.000 0.324 454 c C -0.005 174.007 174.090 -0.130 0.000 1.167 454 c CA -0.670 55.540 56.329 -0.200 0.000 1.420 454 c CB 1.388 43.760 42.510 -0.230 0.000 2.036 454 c HN 0.533 nan 8.230 nan 0.000 0.435 455 Q N 0.672 120.396 119.800 -0.126 0.000 2.113 455 Q HA 0.185 4.517 4.340 -0.014 0.000 0.225 455 Q C -0.850 175.164 176.000 0.024 0.000 0.786 455 Q CA 0.118 55.929 55.803 0.013 0.000 0.989 455 Q CB 1.380 30.158 28.738 0.066 0.000 1.174 455 Q HN 0.773 nan 8.270 nan 0.000 0.470 456 Y N 0.542 120.694 120.300 -0.247 0.000 2.535 456 Y HA 0.343 4.884 4.550 -0.014 0.000 0.341 456 Y C -1.607 174.144 175.900 -0.247 0.000 1.041 456 Y CA -1.069 56.932 58.100 -0.165 0.000 1.307 456 Y CB 0.467 38.853 38.460 -0.123 0.000 1.095 456 Y HN -0.069 nan 8.280 nan 0.000 0.534 457 Y N 2.286 122.528 120.300 -0.098 0.000 2.361 457 Y HA 0.580 5.121 4.550 -0.014 0.000 0.332 457 Y C 0.568 176.437 175.900 -0.052 0.000 1.101 457 Y CA -0.276 57.787 58.100 -0.062 0.000 1.137 457 Y CB 1.865 40.255 38.460 -0.117 0.000 1.207 457 Y HN 0.510 nan 8.280 nan 0.000 0.463 458 S N 1.535 117.344 115.700 0.181 0.000 2.671 458 S HA 0.922 5.383 4.470 -0.014 0.000 0.299 458 S C -1.019 173.662 174.600 0.134 0.000 1.116 458 S CA -0.700 57.588 58.200 0.146 0.000 0.912 458 S CB 1.559 64.860 63.200 0.168 0.000 1.130 458 S HN 0.756 nan 8.310 nan 0.000 0.501 459 V N -1.722 118.252 119.914 0.101 0.000 3.007 459 V HA 0.937 5.049 4.120 -0.014 0.000 0.311 459 V C -0.548 175.577 176.094 0.053 0.000 1.120 459 V CA -0.548 61.759 62.300 0.012 0.000 0.980 459 V CB 1.378 33.098 31.823 -0.172 0.000 1.033 459 V HN 1.130 nan 8.190 nan 0.000 0.429 460 S N 2.492 118.206 115.700 0.022 0.000 2.779 460 S HA 0.737 5.198 4.470 -0.014 0.000 0.293 460 S C -1.248 173.439 174.600 0.145 0.000 1.150 460 S CA -0.367 57.945 58.200 0.186 0.000 1.057 460 S CB 0.372 63.765 63.200 0.321 0.000 1.021 460 S HN 0.610 nan 8.310 nan 0.000 0.485 461 F N 3.245 123.239 119.950 0.072 0.000 2.385 461 F HA 0.462 4.980 4.527 -0.014 0.000 0.336 461 F C 1.430 176.790 175.800 -0.733 0.000 1.100 461 F CA -0.156 57.716 58.000 -0.214 0.000 1.116 461 F CB 1.658 40.533 39.000 -0.208 0.000 1.166 461 F HN 0.693 nan 8.300 nan 0.000 0.511 462 S N 2.600 117.622 115.700 -1.130 0.000 2.625 462 S HA 0.172 4.633 4.470 -0.014 0.000 0.262 462 S C -0.025 174.324 174.600 -0.419 0.000 1.223 462 S CA -0.905 56.433 58.200 -1.437 0.000 0.993 462 S CB 0.410 62.642 63.200 -1.613 0.000 1.051 462 S HN 0.656 nan 8.310 nan 0.000 0.562 463 K N 0.469 120.747 120.400 -0.204 0.000 2.451 463 K HA -0.002 4.309 4.320 -0.014 0.000 0.280 463 K C -0.427 176.140 176.600 -0.055 0.000 1.020 463 K CA 0.504 56.757 56.287 -0.056 0.000 1.008 463 K CB -0.064 32.439 32.500 0.006 0.000 0.917 463 K HN 0.641 nan 8.250 nan 0.000 0.478 464 E N 1.993 122.172 120.200 -0.035 0.000 3.496 464 E HA -0.280 4.062 4.350 -0.014 0.000 0.300 464 E C 0.145 176.705 176.600 -0.066 0.000 0.877 464 E CA 1.196 57.580 56.400 -0.027 0.000 1.050 464 E CB -2.375 27.328 29.700 0.005 0.000 1.532 464 E HN 0.979 nan 8.360 nan 0.000 0.447 465 A N -0.264 122.493 122.820 -0.105 0.000 2.783 465 A HA -0.383 3.928 4.320 -0.014 0.000 0.292 465 A C 1.423 178.980 177.584 -0.044 0.000 1.495 465 A CA 2.363 54.347 52.037 -0.088 0.000 0.787 465 A CB -1.831 16.930 19.000 -0.399 0.000 1.017 465 A HN 0.425 nan 8.150 nan 0.000 0.516 466 K N -1.579 118.761 120.400 -0.100 0.000 2.103 466 K HA 0.048 4.360 4.320 -0.014 0.000 0.204 466 K C 0.275 176.585 176.600 -0.483 0.000 1.052 466 K CA 1.544 57.673 56.287 -0.263 0.000 0.945 466 K CB -0.013 32.339 32.500 -0.247 0.000 0.722 466 K HN 0.705 nan 8.250 nan 0.000 0.443 467 Y N -1.129 119.135 120.300 -0.059 0.000 2.602 467 Y HA 0.348 4.890 4.550 -0.014 0.000 0.342 467 Y C -0.963 174.907 175.900 -0.049 0.000 1.029 467 Y CA -1.364 56.701 58.100 -0.058 0.000 1.080 467 Y CB 1.643 40.117 38.460 0.024 0.000 1.284 467 Y HN -0.029 nan 8.280 nan 0.000 0.485 468 Y N -1.334 119.012 120.300 0.077 0.000 2.513 468 Y HA 0.464 5.006 4.550 -0.014 0.000 0.340 468 Y C -1.060 174.881 175.900 0.069 0.000 1.055 468 Y CA -1.523 56.497 58.100 -0.133 0.000 1.020 468 Y CB 1.363 39.344 38.460 -0.798 0.000 1.301 468 Y HN 0.593 nan 8.280 nan 0.000 0.453 469 Q N 3.868 123.814 119.800 0.244 0.000 2.294 469 Q HA 0.440 4.772 4.340 -0.014 0.000 0.257 469 Q C -1.489 174.614 176.000 0.172 0.000 0.955 469 Q CA -0.462 55.404 55.803 0.105 0.000 0.936 469 Q CB 0.907 29.675 28.738 0.049 0.000 1.188 469 Q HN 0.936 nan 8.270 nan 0.000 0.420 470 L N 4.093 125.441 121.223 0.208 0.000 2.334 470 L HA 0.479 4.811 4.340 -0.014 0.000 0.277 470 L C 0.151 177.130 176.870 0.182 0.000 1.075 470 L CA -0.466 54.527 54.840 0.255 0.000 0.804 470 L CB 1.217 43.494 42.059 0.364 0.000 1.174 470 L HN 0.558 nan 8.230 nan 0.000 0.438 471 R N 3.301 123.905 120.500 0.174 0.000 2.422 471 R HA 0.259 4.591 4.340 -0.014 0.000 0.307 471 R C -1.346 174.869 176.300 -0.141 0.000 1.004 471 R CA -0.437 55.653 56.100 -0.017 0.000 0.882 471 R CB 1.307 31.692 30.300 0.142 0.000 1.164 471 R HN 0.739 nan 8.270 nan 0.000 0.489 472 c N 3.473 121.818 118.600 -0.425 0.000 2.325 472 c HA 0.455 5.017 4.570 -0.014 0.000 0.347 472 c C 0.718 174.552 174.090 -0.426 0.000 1.263 472 c CA -0.242 55.728 56.329 -0.597 0.000 1.806 472 c CB 0.406 42.483 42.510 -0.722 0.000 2.405 472 c HN 0.837 nan 8.230 nan 0.000 0.537 473 S N 3.604 119.169 115.700 -0.225 0.000 2.574 473 S HA 0.591 5.052 4.470 -0.014 0.000 0.242 473 S C 0.511 175.045 174.600 -0.110 0.000 0.982 473 S CA 0.452 58.576 58.200 -0.127 0.000 0.977 473 S CB -0.161 63.003 63.200 -0.061 0.000 0.814 473 S HN 1.580 nan 8.310 nan 0.000 0.464 474 G N 2.166 110.886 108.800 -0.132 0.000 2.359 474 G HA2 0.070 4.022 3.960 -0.014 0.000 0.303 474 G HA3 0.070 4.022 3.960 -0.014 0.000 0.303 474 G C -3.056 171.804 174.900 -0.066 0.000 1.293 474 G CA -0.701 44.357 45.100 -0.070 0.000 0.964 474 G HN -0.105 nan 8.290 nan 0.000 0.531 475 P HA 0.180 nan 4.420 nan 0.000 0.245 475 P C 1.419 178.712 177.300 -0.012 0.000 1.206 475 P CA 1.257 64.374 63.100 0.029 0.000 0.781 475 P CB 0.213 31.936 31.700 0.038 0.000 0.994 476 G N 0.817 109.543 108.800 -0.122 0.000 2.647 476 G HA2 0.194 4.145 3.960 -0.014 0.000 0.271 476 G HA3 0.194 4.145 3.960 -0.014 0.000 0.271 476 G C -0.130 174.489 174.900 -0.469 0.000 1.300 476 G CA -0.581 44.371 45.100 -0.245 0.000 0.997 476 G HN 0.083 nan 8.290 nan 0.000 0.533 477 L N 1.303 122.185 121.223 -0.568 0.000 2.453 477 L HA 0.128 4.460 4.340 -0.014 0.000 0.272 477 L C -1.755 174.935 176.870 -0.300 0.000 1.182 477 L CA -1.298 53.192 54.840 -0.584 0.000 0.858 477 L CB 0.638 42.450 42.059 -0.412 0.000 1.120 477 L HN 0.258 nan 8.230 nan 0.000 0.474 478 P HA -0.053 nan 4.420 nan 0.000 0.261 478 P C -0.808 176.335 177.300 -0.261 0.000 1.165 478 P CA 0.215 63.188 63.100 -0.211 0.000 0.759 478 P CB 0.417 32.133 31.700 0.026 0.000 0.772 479 L N 5.771 126.710 121.223 -0.474 0.000 2.362 479 L HA 0.507 4.838 4.340 -0.014 0.000 0.275 479 L C -1.561 175.022 176.870 -0.478 0.000 0.998 479 L CA -0.590 54.061 54.840 -0.314 0.000 0.820 479 L CB 1.019 42.964 42.059 -0.189 0.000 1.270 479 L HN 0.225 nan 8.230 nan 0.000 0.415 480 Y N 2.865 123.104 120.300 -0.102 0.000 2.326 480 Y HA 0.674 5.216 4.550 -0.014 0.000 0.331 480 Y C 0.279 176.031 175.900 -0.246 0.000 0.962 480 Y CA -0.640 57.371 58.100 -0.147 0.000 1.167 480 Y CB 2.012 40.361 38.460 -0.185 0.000 1.148 480 Y HN 0.663 nan 8.280 nan 0.000 0.463 481 T N 0.641 115.131 114.554 -0.106 0.000 2.916 481 T HA 0.765 5.107 4.350 -0.014 0.000 0.292 481 T C -1.431 172.986 174.700 -0.472 0.000 1.055 481 T CA -0.895 61.035 62.100 -0.283 0.000 1.009 481 T CB 2.109 70.852 68.868 -0.208 0.000 1.118 481 T HN 0.381 nan 8.240 nan 0.000 0.497 482 L N 1.862 122.702 121.223 -0.639 0.000 2.346 482 L HA 0.619 4.951 4.340 -0.014 0.000 0.276 482 L C -0.944 175.440 176.870 -0.810 0.000 1.006 482 L CA -0.375 54.117 54.840 -0.579 0.000 0.817 482 L CB 1.414 43.287 42.059 -0.310 0.000 1.272 482 L HN 0.810 nan 8.230 nan 0.000 0.421 483 H N 1.588 120.431 119.070 -0.377 0.000 2.821 483 H HA 0.438 4.985 4.556 -0.014 0.000 0.373 483 H C -0.997 174.103 175.328 -0.381 0.000 1.165 483 H CA -0.772 54.973 56.048 -0.505 0.000 1.154 483 H CB 2.184 31.368 29.762 -0.963 0.000 1.765 483 H HN 0.526 nan 8.280 nan 0.000 0.549 484 S N 0.643 116.312 115.700 -0.052 0.000 2.525 484 S HA 0.180 4.641 4.470 -0.014 0.000 0.290 484 S C 0.935 175.489 174.600 -0.076 0.000 1.152 484 S CA -0.444 57.702 58.200 -0.089 0.000 1.072 484 S CB 1.535 64.706 63.200 -0.047 0.000 1.027 484 S HN 0.587 nan 8.310 nan 0.000 0.500 485 S N 3.043 118.709 115.700 -0.057 0.000 2.387 485 S HA -0.053 4.409 4.470 -0.014 0.000 0.226 485 S C 1.887 176.498 174.600 0.018 0.000 1.026 485 S CA 0.886 59.159 58.200 0.121 0.000 0.972 485 S CB -0.422 62.856 63.200 0.130 0.000 0.814 485 S HN 0.612 nan 8.310 nan 0.000 0.477 486 V N 2.610 122.493 119.914 -0.052 0.000 2.223 486 V HA -0.309 3.802 4.120 -0.014 0.000 0.253 486 V C 1.095 177.177 176.094 -0.020 0.000 1.061 486 V CA 2.314 64.593 62.300 -0.036 0.000 1.035 486 V CB -0.591 31.202 31.823 -0.051 0.000 0.653 486 V HN 0.593 nan 8.190 nan 0.000 0.454 487 N N -0.305 118.384 118.700 -0.018 0.000 2.238 487 N HA 0.133 4.865 4.740 -0.014 0.000 0.222 487 N C -0.480 175.023 175.510 -0.012 0.000 1.133 487 N CA 0.468 53.509 53.050 -0.014 0.000 0.854 487 N CB 0.100 38.583 38.487 -0.008 0.000 1.041 487 N HN 0.767 nan 8.380 nan 0.000 0.510 488 D N 0.817 121.224 120.400 0.011 0.000 2.916 488 D HA -0.241 4.391 4.640 -0.014 0.000 0.211 488 D C -0.728 175.574 176.300 0.003 0.000 1.260 488 D CA 0.925 54.951 54.000 0.043 0.000 0.711 488 D CB -1.082 39.776 40.800 0.097 0.000 0.915 488 D HN 0.274 nan 8.370 nan 0.000 0.391 489 K N 0.619 121.027 120.400 0.013 0.000 2.218 489 K HA 0.477 4.789 4.320 -0.014 0.000 0.276 489 K C 1.165 177.820 176.600 0.091 0.000 1.022 489 K CA -0.335 55.970 56.287 0.030 0.000 0.946 489 K CB 1.260 33.773 32.500 0.021 0.000 1.000 489 K HN 0.410 nan 8.250 nan 0.000 0.468 490 G N 3.052 111.930 108.800 0.129 0.000 2.298 490 G HA2 0.037 3.988 3.960 -0.014 0.000 0.263 490 G HA3 0.037 3.988 3.960 -0.014 0.000 0.263 490 G C 0.668 175.570 174.900 0.004 0.000 1.229 490 G CA -0.125 45.057 45.100 0.137 0.000 0.976 490 G HN 0.562 nan 8.290 nan 0.000 0.459 491 L N 2.053 123.231 121.223 -0.074 0.000 2.116 491 L HA 0.314 4.646 4.340 -0.014 0.000 0.200 491 L C 1.502 178.324 176.870 -0.079 0.000 1.084 491 L CA 0.802 55.608 54.840 -0.056 0.000 0.766 491 L CB -0.075 41.955 42.059 -0.049 0.000 0.930 491 L HN 0.426 nan 8.230 nan 0.000 0.453 492 R N -1.382 119.027 120.500 -0.151 0.000 2.739 492 R HA 0.503 4.835 4.340 -0.014 0.000 0.271 492 R C -1.403 174.771 176.300 -0.210 0.000 1.010 492 R CA -0.761 55.253 56.100 -0.143 0.000 0.897 492 R CB 2.463 32.689 30.300 -0.122 0.000 1.236 492 R HN -0.265 nan 8.270 nan 0.000 0.466 493 V N 3.639 123.452 119.914 -0.168 0.000 2.385 493 V HA 0.159 4.271 4.120 -0.014 0.000 0.269 493 V C 1.245 177.186 176.094 -0.255 0.000 1.043 493 V CA -0.228 61.960 62.300 -0.186 0.000 0.906 493 V CB 1.055 32.812 31.823 -0.111 0.000 0.995 493 V HN 0.674 nan 8.190 nan 0.000 0.467 494 L N 2.430 123.410 121.223 -0.406 0.000 2.095 494 L HA 0.201 4.532 4.340 -0.014 0.000 0.204 494 L C 0.865 177.397 176.870 -0.562 0.000 1.080 494 L CA 0.994 55.370 54.840 -0.773 0.000 0.759 494 L CB 0.136 41.326 42.059 -1.447 0.000 0.914 494 L HN 0.714 nan 8.230 nan 0.000 0.439 495 E N -0.243 119.793 120.200 -0.274 0.000 2.321 495 E HA 0.098 4.439 4.350 -0.014 0.000 0.281 495 E C -1.113 175.528 176.600 0.068 0.000 0.910 495 E CA -0.400 55.975 56.400 -0.042 0.000 0.770 495 E CB 1.335 31.044 29.700 0.015 0.000 1.225 495 E HN 0.148 nan 8.360 nan 0.000 0.417 496 D N 3.047 123.471 120.400 0.040 0.000 2.469 496 D HA 0.125 4.756 4.640 -0.014 0.000 0.213 496 D C -0.322 175.993 176.300 0.025 0.000 1.135 496 D CA -0.224 53.790 54.000 0.023 0.000 0.834 496 D CB -0.075 40.717 40.800 -0.013 0.000 1.009 496 D HN 0.470 nan 8.370 nan 0.000 0.507 497 N N 0.432 119.167 118.700 0.057 0.000 2.708 497 N HA -0.190 4.541 4.740 -0.014 0.000 0.249 497 N C 0.502 176.024 175.510 0.021 0.000 1.097 497 N CA 0.834 53.914 53.050 0.050 0.000 0.710 497 N CB -1.285 37.231 38.487 0.047 0.000 1.032 497 N HN 0.171 nan 8.380 nan 0.000 0.551 498 S N -0.179 115.532 115.700 0.019 0.000 2.383 498 S HA -0.168 4.294 4.470 -0.014 0.000 0.229 498 S C 2.091 176.709 174.600 0.029 0.000 1.030 498 S CA 1.334 59.542 58.200 0.014 0.000 1.002 498 S CB -0.017 63.191 63.200 0.014 0.000 0.829 498 S HN 0.691 nan 8.310 nan 0.000 0.467 499 A N 1.685 124.532 122.820 0.045 0.000 1.845 499 A HA -0.075 4.236 4.320 -0.014 0.000 0.215 499 A C 2.128 179.759 177.584 0.079 0.000 1.195 499 A CA 1.605 53.677 52.037 0.059 0.000 0.616 499 A CB -0.978 18.060 19.000 0.063 0.000 0.832 499 A HN 0.414 nan 8.150 nan 0.000 0.443 500 L N 0.482 121.759 121.223 0.090 0.000 2.043 500 L HA -0.238 4.094 4.340 -0.014 0.000 0.212 500 L C 1.946 178.862 176.870 0.078 0.000 1.075 500 L CA 2.928 57.839 54.840 0.119 0.000 0.752 500 L CB -0.878 41.251 42.059 0.117 0.000 0.891 500 L HN 0.527 nan 8.230 nan 0.000 0.432 501 D N -0.839 119.578 120.400 0.029 0.000 2.123 501 D HA -0.217 4.414 4.640 -0.014 0.000 0.196 501 D C 2.041 178.351 176.300 0.018 0.000 0.992 501 D CA 1.551 55.548 54.000 -0.005 0.000 0.833 501 D CB 0.039 40.822 40.800 -0.027 0.000 0.954 501 D HN 0.442 nan 8.370 nan 0.000 0.455 502 K N -0.306 120.116 120.400 0.038 0.000 2.097 502 K HA -0.072 4.239 4.320 -0.014 0.000 0.205 502 K C 2.355 178.997 176.600 0.071 0.000 1.050 502 K CA 0.819 57.134 56.287 0.046 0.000 0.938 502 K CB -0.266 32.262 32.500 0.047 0.000 0.718 502 K HN 0.313 nan 8.250 nan 0.000 0.442 503 M N 1.109 120.775 119.600 0.111 0.000 2.117 503 M HA -0.109 4.362 4.480 -0.014 0.000 0.262 503 M C 2.183 178.553 176.300 0.117 0.000 1.065 503 M CA 1.504 56.915 55.300 0.185 0.000 1.114 503 M CB -0.401 32.401 32.600 0.335 0.000 1.361 503 M HN 0.068 nan 8.290 nan 0.000 0.408 504 L N -0.089 121.152 121.223 0.030 0.000 2.362 504 L HA -0.159 4.172 4.340 -0.014 0.000 0.219 504 L C 2.426 179.278 176.870 -0.030 0.000 1.134 504 L CA 0.454 55.251 54.840 -0.073 0.000 0.807 504 L CB -0.603 41.418 42.059 -0.063 0.000 0.927 504 L HN 0.360 nan 8.230 nan 0.000 0.447 505 Q N -0.255 119.550 119.800 0.008 0.000 2.291 505 Q HA -0.131 4.201 4.340 -0.014 0.000 0.206 505 Q C 1.481 177.498 176.000 0.028 0.000 0.976 505 Q CA 0.941 56.754 55.803 0.015 0.000 0.875 505 Q CB -0.264 28.488 28.738 0.024 0.000 0.927 505 Q HN 0.489 nan 8.270 nan 0.000 0.450 506 N N -0.026 118.699 118.700 0.042 0.000 2.270 506 N HA 0.056 4.787 4.740 -0.014 0.000 0.198 506 N C -0.817 174.728 175.510 0.059 0.000 1.117 506 N CA 0.086 53.173 53.050 0.063 0.000 0.845 506 N CB 0.953 39.498 38.487 0.096 0.000 0.980 506 N HN -0.068 nan 8.380 nan 0.000 0.486 507 V N 1.283 121.208 119.914 0.019 0.000 2.656 507 V HA 0.237 4.349 4.120 -0.014 0.000 0.307 507 V C -0.088 176.005 176.094 -0.002 0.000 1.051 507 V CA -0.923 61.383 62.300 0.010 0.000 0.893 507 V CB 2.274 34.052 31.823 -0.076 0.000 0.999 507 V HN -0.006 nan 8.190 nan 0.000 0.426 508 Q N 4.423 124.234 119.800 0.019 0.000 2.337 508 Q HA 0.269 4.601 4.340 -0.014 0.000 0.255 508 Q C -0.553 175.418 176.000 -0.048 0.000 1.205 508 Q CA 0.082 55.870 55.803 -0.025 0.000 0.902 508 Q CB 0.352 29.093 28.738 0.004 0.000 1.433 508 Q HN 0.499 nan 8.270 nan 0.000 0.471 509 M N 4.091 123.640 119.600 -0.086 0.000 2.367 509 M HA 0.422 4.893 4.480 -0.014 0.000 0.339 509 M C -2.095 174.129 176.300 -0.126 0.000 1.177 509 M CA -2.569 52.670 55.300 -0.102 0.000 1.068 509 M CB 0.713 33.259 32.600 -0.090 0.000 1.602 509 M HN 0.306 nan 8.290 nan 0.000 0.457 510 P HA 0.240 nan 4.420 nan 0.000 0.274 510 P C -0.721 176.493 177.300 -0.143 0.000 1.246 510 P CA -0.340 62.666 63.100 -0.157 0.000 0.795 510 P CB 0.453 32.045 31.700 -0.180 0.000 1.006 511 S N -0.162 115.445 115.700 -0.155 0.000 2.718 511 S HA 0.629 5.091 4.470 -0.014 0.000 0.300 511 S C -0.412 174.098 174.600 -0.150 0.000 1.117 511 S CA -0.767 57.357 58.200 -0.127 0.000 1.002 511 S CB 1.448 64.576 63.200 -0.121 0.000 1.092 511 S HN 0.479 nan 8.310 nan 0.000 0.542 512 K N 0.492 120.829 120.400 -0.106 0.000 2.413 512 K HA 0.482 4.794 4.320 -0.014 0.000 0.257 512 K C -1.190 175.360 176.600 -0.085 0.000 0.946 512 K CA -0.565 55.661 56.287 -0.102 0.000 0.823 512 K CB 1.210 33.668 32.500 -0.070 0.000 1.109 512 K HN 0.593 nan 8.250 nan 0.000 0.427 513 K N 4.850 125.186 120.400 -0.108 0.000 2.211 513 K HA 0.346 4.658 4.320 -0.014 0.000 0.275 513 K C -1.416 175.136 176.600 -0.079 0.000 1.024 513 K CA -0.642 55.591 56.287 -0.089 0.000 0.887 513 K CB 0.916 33.347 32.500 -0.115 0.000 1.084 513 K HN 0.673 nan 8.250 nan 0.000 0.463 514 L N 3.835 125.032 121.223 -0.043 0.000 2.325 514 L HA 0.580 4.912 4.340 -0.014 0.000 0.281 514 L C -1.296 175.579 176.870 0.008 0.000 1.004 514 L CA -0.156 54.677 54.840 -0.011 0.000 0.823 514 L CB 1.128 43.243 42.059 0.093 0.000 1.236 514 L HN 0.835 nan 8.230 nan 0.000 0.415 515 D N 3.017 123.285 120.400 -0.221 0.000 2.825 515 D HA 0.461 5.093 4.640 -0.014 0.000 0.327 515 D C -1.730 174.412 176.300 -0.264 0.000 1.277 515 D CA -0.184 53.691 54.000 -0.208 0.000 0.950 515 D CB 2.420 43.011 40.800 -0.348 0.000 1.438 515 D HN 0.371 nan 8.370 nan 0.000 0.526 516 F N -0.124 119.624 119.950 -0.338 0.000 2.599 516 F HA 0.688 5.207 4.527 -0.014 0.000 0.311 516 F C -0.933 174.921 175.800 0.091 0.000 1.076 516 F CA -0.936 56.866 58.000 -0.330 0.000 0.937 516 F CB 1.055 39.325 39.000 -1.218 0.000 1.282 516 F HN 0.071 nan 8.300 nan 0.000 0.460 517 I N 3.369 124.163 120.570 0.373 0.000 2.693 517 I HA 0.495 4.656 4.170 -0.014 0.000 0.303 517 I C -0.514 175.802 176.117 0.332 0.000 1.025 517 I CA -1.197 60.263 61.300 0.267 0.000 1.086 517 I CB 2.380 40.499 38.000 0.198 0.000 1.268 517 I HN 0.804 nan 8.210 nan 0.000 0.440 518 I N 3.336 124.052 120.570 0.244 0.000 2.359 518 I HA 0.469 4.630 4.170 -0.014 0.000 0.284 518 I C -1.265 174.975 176.117 0.204 0.000 1.018 518 I CA -0.510 60.939 61.300 0.248 0.000 1.173 518 I CB 1.091 39.197 38.000 0.176 0.000 1.326 518 I HN 0.388 nan 8.210 nan 0.000 0.462 519 L N 7.394 128.787 121.223 0.284 0.000 2.264 519 L HA 0.353 4.684 4.340 -0.014 0.000 0.289 519 L C 0.158 177.127 176.870 0.166 0.000 1.044 519 L CA -0.767 54.164 54.840 0.151 0.000 0.807 519 L CB 0.894 42.975 42.059 0.036 0.000 1.192 519 L HN 0.851 nan 8.230 nan 0.000 0.425 520 N N 4.013 122.766 118.700 0.089 0.000 2.676 520 N HA -0.288 4.443 4.740 -0.014 0.000 0.290 520 N C 0.206 175.772 175.510 0.093 0.000 1.109 520 N CA 1.189 54.282 53.050 0.071 0.000 0.779 520 N CB -0.800 37.712 38.487 0.042 0.000 0.947 520 N HN 0.989 nan 8.380 nan 0.000 0.566 521 E N -3.147 117.102 120.200 0.082 0.000 4.153 521 E HA -0.180 4.161 4.350 -0.014 0.000 0.376 521 E C -0.769 175.866 176.600 0.057 0.000 0.598 521 E CA 1.722 58.157 56.400 0.060 0.000 1.343 521 E CB -1.239 28.487 29.700 0.043 0.000 1.793 521 E HN 0.783 nan 8.360 nan 0.000 0.392 522 T N 1.225 115.844 114.554 0.108 0.000 2.824 522 T HA 0.401 4.742 4.350 -0.014 0.000 0.282 522 T C -0.522 174.168 174.700 -0.016 0.000 0.993 522 T CA -0.754 61.350 62.100 0.007 0.000 0.967 522 T CB 1.606 70.476 68.868 0.004 0.000 0.960 522 T HN -0.011 nan 8.240 nan 0.000 0.441 523 K N 2.357 122.651 120.400 -0.177 0.000 2.368 523 K HA 0.439 4.751 4.320 -0.014 0.000 0.282 523 K C -0.928 175.439 176.600 -0.387 0.000 1.035 523 K CA 0.108 56.285 56.287 -0.183 0.000 0.973 523 K CB 0.284 32.561 32.500 -0.372 0.000 0.957 523 K HN 0.407 nan 8.250 nan 0.000 0.474 524 F N 1.699 121.673 119.950 0.040 0.000 2.529 524 F HA 0.339 4.858 4.527 -0.014 0.000 0.320 524 F C -0.644 175.222 175.800 0.110 0.000 1.118 524 F CA -0.760 57.283 58.000 0.072 0.000 0.915 524 F CB 1.107 40.167 39.000 0.101 0.000 1.161 524 F HN 0.418 nan 8.300 nan 0.000 0.445 525 W N 3.736 125.194 121.300 0.264 0.000 2.381 525 W HA 0.534 5.185 4.660 -0.014 0.000 0.329 525 W C -0.636 176.104 176.519 0.369 0.000 1.157 525 W CA -0.597 56.931 57.345 0.305 0.000 1.240 525 W CB 0.738 30.303 29.460 0.174 0.000 1.199 525 W HN 0.454 nan 8.180 nan 0.000 0.579 526 Y N -0.225 120.416 120.300 0.569 0.000 2.615 526 Y HA 0.670 5.211 4.550 -0.014 0.000 0.341 526 Y C -0.903 175.249 175.900 0.419 0.000 1.089 526 Y CA -1.842 56.592 58.100 0.558 0.000 1.049 526 Y CB 1.165 40.127 38.460 0.836 0.000 1.296 526 Y HN 0.564 nan 8.280 nan 0.000 0.470 527 Q N 2.259 122.296 119.800 0.396 0.000 2.413 527 Q HA 0.770 5.102 4.340 -0.014 0.000 0.276 527 Q C -1.663 174.456 176.000 0.197 0.000 1.099 527 Q CA -1.168 54.737 55.803 0.171 0.000 0.814 527 Q CB 3.265 32.080 28.738 0.129 0.000 1.379 527 Q HN 0.828 nan 8.270 nan 0.000 0.436 528 M N 2.327 121.957 119.600 0.050 0.000 2.326 528 M HA 0.477 4.949 4.480 -0.014 0.000 0.306 528 M C -1.039 175.188 176.300 -0.121 0.000 1.054 528 M CA -1.018 54.253 55.300 -0.048 0.000 0.922 528 M CB 2.102 34.633 32.600 -0.115 0.000 1.632 528 M HN 0.538 nan 8.290 nan 0.000 0.436 529 I N 4.899 125.390 120.570 -0.132 0.000 2.301 529 I HA 0.365 4.527 4.170 -0.014 0.000 0.292 529 I C -0.477 175.481 176.117 -0.265 0.000 1.046 529 I CA -0.265 60.928 61.300 -0.179 0.000 1.282 529 I CB 0.186 38.099 38.000 -0.145 0.000 1.409 529 I HN 0.694 nan 8.210 nan 0.000 0.484 530 L N 8.401 129.418 121.223 -0.343 0.000 2.282 530 L HA 0.431 4.762 4.340 -0.014 0.000 0.288 530 L C -2.133 174.534 176.870 -0.338 0.000 1.033 530 L CA -1.848 52.679 54.840 -0.522 0.000 0.807 530 L CB 1.382 42.959 42.059 -0.803 0.000 1.209 530 L HN 0.249 nan 8.230 nan 0.000 0.423 531 P HA -0.038 nan 4.420 nan 0.000 0.267 531 P C -2.401 174.868 177.300 -0.053 0.000 1.195 531 P CA -0.559 62.487 63.100 -0.090 0.000 0.773 531 P CB -0.326 31.407 31.700 0.055 0.000 0.837 532 P HA -0.046 nan 4.420 nan 0.000 0.269 532 P C -0.170 177.089 177.300 -0.069 0.000 1.215 532 P CA 0.457 63.451 63.100 -0.178 0.000 0.780 532 P CB 0.043 31.585 31.700 -0.264 0.000 0.898 533 H N -1.361 117.750 119.070 0.068 0.000 2.626 533 H HA -0.212 4.336 4.556 -0.014 0.000 0.317 533 H C 0.076 175.471 175.328 0.112 0.000 1.140 533 H CA 0.182 56.273 56.048 0.071 0.000 1.134 533 H CB -2.368 27.424 29.762 0.051 0.000 1.486 533 H HN 0.456 nan 8.280 nan 0.000 0.417 534 F N 1.764 121.721 119.950 0.012 0.000 2.607 534 F HA 0.111 4.630 4.527 -0.014 0.000 0.374 534 F C 0.725 176.536 175.800 0.018 0.000 1.104 534 F CA 0.182 58.148 58.000 -0.056 0.000 1.296 534 F CB 0.573 39.419 39.000 -0.257 0.000 1.085 534 F HN 0.178 nan 8.300 nan 0.000 0.584 535 D N 5.888 125.914 120.400 -0.624 0.000 2.389 535 D HA 0.159 4.791 4.640 -0.014 0.000 0.256 535 D C -0.024 175.952 176.300 -0.541 0.000 1.239 535 D CA -0.556 53.209 54.000 -0.391 0.000 0.925 535 D CB 1.061 41.778 40.800 -0.140 0.000 1.145 535 D HN 0.585 nan 8.370 nan 0.000 0.542 536 K N 0.868 120.968 120.400 -0.500 0.000 2.585 536 K HA -0.054 4.257 4.320 -0.014 0.000 0.194 536 K C 1.364 177.965 176.600 0.001 0.000 1.037 536 K CA 0.735 56.858 56.287 -0.274 0.000 0.964 536 K CB 0.084 32.566 32.500 -0.030 0.000 0.787 536 K HN 0.304 nan 8.250 nan 0.000 0.488 537 S N -0.373 115.290 115.700 -0.063 0.000 2.540 537 S HA 0.132 4.594 4.470 -0.014 0.000 0.218 537 S C 0.460 175.032 174.600 -0.047 0.000 0.977 537 S CA -0.431 57.755 58.200 -0.023 0.000 0.918 537 S CB 0.344 63.523 63.200 -0.035 0.000 0.806 537 S HN -0.052 nan 8.310 nan 0.000 0.496 538 K N 1.747 122.095 120.400 -0.087 0.000 2.123 538 K HA 0.450 4.761 4.320 -0.014 0.000 0.248 538 K C -0.490 176.045 176.600 -0.109 0.000 0.969 538 K CA -0.472 55.713 56.287 -0.171 0.000 0.882 538 K CB 1.009 33.295 32.500 -0.357 0.000 1.080 538 K HN 0.163 nan 8.250 nan 0.000 0.441 539 K N 2.177 122.476 120.400 -0.168 0.000 2.211 539 K HA 0.276 4.587 4.320 -0.014 0.000 0.275 539 K C -0.660 175.835 176.600 -0.175 0.000 1.024 539 K CA -0.400 55.849 56.287 -0.064 0.000 0.887 539 K CB 0.768 33.229 32.500 -0.064 0.000 1.084 539 K HN 0.425 nan 8.250 nan 0.000 0.463 540 Y N 2.304 122.629 120.300 0.042 0.000 2.446 540 Y HA 0.291 4.832 4.550 -0.014 0.000 0.338 540 Y C -1.975 173.868 175.900 -0.096 0.000 1.055 540 Y CA -2.479 55.630 58.100 0.015 0.000 1.101 540 Y CB 1.287 39.835 38.460 0.146 0.000 1.221 540 Y HN 0.477 nan 8.280 nan 0.000 0.460 541 P HA 0.207 nan 4.420 nan 0.000 0.274 541 P C -1.166 175.991 177.300 -0.239 0.000 1.231 541 P CA -0.322 62.500 63.100 -0.464 0.000 0.790 541 P CB 0.983 32.066 31.700 -1.028 0.000 0.951 542 L N 2.540 123.630 121.223 -0.221 0.000 2.376 542 L HA 0.489 4.820 4.340 -0.014 0.000 0.275 542 L C -1.094 175.934 176.870 0.264 0.000 0.987 542 L CA -0.882 53.984 54.840 0.045 0.000 0.828 542 L CB 1.053 43.138 42.059 0.045 0.000 1.249 542 L HN 0.242 nan 8.230 nan 0.000 0.409 543 L N 5.606 127.004 121.223 0.291 0.000 2.276 543 L HA 0.388 4.720 4.340 -0.014 0.000 0.286 543 L C -0.891 176.193 176.870 0.356 0.000 1.024 543 L CA -0.864 54.207 54.840 0.385 0.000 0.826 543 L CB 1.586 43.833 42.059 0.313 0.000 1.211 543 L HN 0.536 nan 8.230 nan 0.000 0.422 544 L N 5.113 126.594 121.223 0.431 0.000 2.315 544 L HA 0.244 4.575 4.340 -0.014 0.000 0.283 544 L C -0.182 176.925 176.870 0.395 0.000 1.089 544 L CA 0.264 55.350 54.840 0.412 0.000 0.833 544 L CB 0.670 43.008 42.059 0.464 0.000 1.170 544 L HN 0.477 nan 8.230 nan 0.000 0.442 545 D N 4.281 124.892 120.400 0.352 0.000 2.313 545 D HA 0.226 4.857 4.640 -0.014 0.000 0.239 545 D C -1.003 175.396 176.300 0.165 0.000 1.142 545 D CA 0.048 54.192 54.000 0.240 0.000 0.847 545 D CB 1.223 42.215 40.800 0.320 0.000 1.082 545 D HN 0.299 nan 8.370 nan 0.000 0.480 546 V N 5.859 125.802 119.914 0.048 0.000 2.604 546 V HA 0.369 4.481 4.120 -0.014 0.000 0.305 546 V C -0.713 175.485 176.094 0.172 0.000 1.043 546 V CA -0.457 61.928 62.300 0.142 0.000 0.888 546 V CB 1.638 33.537 31.823 0.126 0.000 0.995 546 V HN 0.683 nan 8.190 nan 0.000 0.429 547 Y N 5.423 125.803 120.300 0.133 0.000 2.740 547 Y HA 0.519 5.061 4.550 -0.015 0.000 0.257 547 Y C 1.618 177.663 175.900 0.242 0.000 1.064 547 Y CA 1.096 59.303 58.100 0.178 0.000 1.351 547 Y CB 0.403 38.971 38.460 0.180 0.000 1.439 547 Y HN 0.881 nan 8.280 nan 0.000 0.488 548 A N 0.714 123.676 122.820 0.235 0.000 2.899 548 A HA -0.171 4.140 4.320 -0.014 0.000 0.257 548 A C 0.861 178.373 177.584 -0.120 0.000 1.335 548 A CA 0.802 52.924 52.037 0.143 0.000 0.924 548 A CB -2.508 16.621 19.000 0.215 0.000 1.105 548 A HN 0.852 nan 8.150 nan 0.000 0.765 549 G N -0.771 107.714 108.800 -0.524 0.000 2.572 549 G HA2 0.508 4.460 3.960 -0.014 0.000 0.261 549 G HA3 0.508 4.460 3.960 -0.014 0.000 0.261 549 G C -2.198 172.439 174.900 -0.438 0.000 1.197 549 G CA -0.795 43.605 45.100 -1.166 0.000 0.870 549 G HN 0.301 nan 8.290 nan 0.000 0.548 550 P HA 0.196 nan 4.420 nan 0.000 0.269 550 P C 0.384 177.552 177.300 -0.220 0.000 1.209 550 P CA -0.095 62.767 63.100 -0.398 0.000 0.776 550 P CB 0.663 31.774 31.700 -0.983 0.000 0.876 551 C N 0.225 119.436 119.300 -0.149 0.000 5.102 551 C HA -0.134 4.317 4.460 -0.014 0.000 0.236 551 C C 0.962 175.954 174.990 0.004 0.000 1.316 551 C CA 0.803 59.651 59.018 -0.283 0.000 1.394 551 C CB -3.087 23.881 27.740 -1.286 0.000 1.902 551 C HN 0.791 nan 8.230 nan 0.000 0.644 552 S N 0.291 116.067 115.700 0.127 0.000 2.651 552 S HA 0.706 5.167 4.470 -0.014 0.000 0.291 552 S C -0.889 173.872 174.600 0.268 0.000 1.141 552 S CA -0.076 58.302 58.200 0.298 0.000 1.027 552 S CB 2.208 65.656 63.200 0.413 0.000 1.043 552 S HN 0.715 nan 8.310 nan 0.000 0.530 553 Q N 0.637 120.644 119.800 0.344 0.000 2.280 553 Q HA 0.411 4.743 4.340 -0.014 0.000 0.259 553 Q C -0.943 175.217 176.000 0.268 0.000 0.964 553 Q CA -0.565 55.435 55.803 0.328 0.000 0.844 553 Q CB 1.399 30.410 28.738 0.454 0.000 1.334 553 Q HN 0.829 nan 8.270 nan 0.000 0.423 554 K N 1.354 121.899 120.400 0.243 0.000 2.450 554 K HA 0.337 4.648 4.320 -0.014 0.000 0.206 554 K C -0.403 176.317 176.600 0.200 0.000 1.148 554 K CA 0.295 56.709 56.287 0.213 0.000 1.014 554 K CB 1.472 34.118 32.500 0.243 0.000 0.966 554 K HN 0.563 nan 8.250 nan 0.000 0.566 555 A N 2.989 125.939 122.820 0.218 0.000 2.294 555 A HA 0.332 4.643 4.320 -0.014 0.000 0.316 555 A C -0.648 177.020 177.584 0.140 0.000 1.359 555 A CA -0.309 51.854 52.037 0.210 0.000 0.956 555 A CB 0.037 19.217 19.000 0.301 0.000 1.155 555 A HN 0.305 nan 8.150 nan 0.000 0.544 556 D N -0.002 120.456 120.400 0.096 0.000 2.825 556 D HA 0.355 4.986 4.640 -0.014 0.000 0.327 556 D C -0.060 176.260 176.300 0.033 0.000 1.277 556 D CA -0.169 53.873 54.000 0.070 0.000 0.950 556 D CB 0.519 41.369 40.800 0.083 0.000 1.438 556 D HN -0.032 nan 8.370 nan 0.000 0.526 557 T N -0.335 114.244 114.554 0.041 0.000 3.182 557 T HA 0.330 4.672 4.350 -0.014 0.000 0.277 557 T C -0.446 174.226 174.700 -0.046 0.000 1.013 557 T CA -0.122 62.003 62.100 0.042 0.000 0.900 557 T CB -0.178 68.764 68.868 0.123 0.000 1.098 557 T HN 0.264 nan 8.240 nan 0.000 0.543 558 V N 2.012 121.811 119.914 -0.192 0.000 2.607 558 V HA 0.434 4.545 4.120 -0.014 0.000 0.289 558 V C -0.220 175.827 176.094 -0.079 0.000 1.053 558 V CA -0.958 61.180 62.300 -0.270 0.000 0.996 558 V CB 1.035 32.568 31.823 -0.484 0.000 0.995 558 V HN 0.443 nan 8.190 nan 0.000 0.476 559 F N 6.054 125.908 119.950 -0.161 0.000 2.424 559 F HA 0.539 5.058 4.527 -0.014 0.000 0.356 559 F C 0.549 176.294 175.800 -0.092 0.000 1.110 559 F CA -0.163 57.769 58.000 -0.113 0.000 1.161 559 F CB 0.258 39.198 39.000 -0.099 0.000 1.115 559 F HN 0.396 nan 8.300 nan 0.000 0.507 560 R N 6.764 126.889 120.500 -0.625 0.000 2.686 560 R HA 0.547 4.879 4.340 -0.014 0.000 0.286 560 R C -1.582 174.349 176.300 -0.615 0.000 0.969 560 R CA -1.128 54.718 56.100 -0.423 0.000 0.898 560 R CB 2.249 32.409 30.300 -0.233 0.000 1.183 560 R HN 0.663 nan 8.270 nan 0.000 0.456 561 L N 4.082 125.112 121.223 -0.321 0.000 2.295 561 L HA 0.373 4.705 4.340 -0.014 0.000 0.281 561 L C -0.520 176.301 176.870 -0.082 0.000 1.018 561 L CA -0.603 54.074 54.840 -0.272 0.000 0.841 561 L CB 0.651 42.659 42.059 -0.084 0.000 1.218 561 L HN 0.769 nan 8.230 nan 0.000 0.424 562 N N 0.457 119.030 118.700 -0.212 0.000 3.506 562 N HA 0.161 4.892 4.740 -0.014 0.000 0.331 562 N C 0.142 175.315 175.510 -0.561 0.000 1.631 562 N CA -0.881 51.950 53.050 -0.366 0.000 0.786 562 N CB 0.150 38.550 38.487 -0.145 0.000 2.023 562 N HN 0.318 nan 8.380 nan 0.000 0.621 563 W N 0.622 121.381 121.300 -0.902 0.000 2.363 563 W HA 0.190 4.842 4.660 -0.013 0.000 0.296 563 W C 2.068 178.520 176.519 -0.112 0.000 1.212 563 W CA 2.763 59.774 57.345 -0.556 0.000 1.260 563 W CB -0.995 28.246 29.460 -0.365 0.000 1.131 563 W HN 0.705 nan 8.180 nan 0.000 0.530 564 A N -0.400 122.370 122.820 -0.083 0.000 1.940 564 A HA -0.243 4.068 4.320 -0.014 0.000 0.219 564 A C 1.955 179.418 177.584 -0.203 0.000 1.176 564 A CA 2.656 54.590 52.037 -0.172 0.000 0.631 564 A CB -1.345 17.634 19.000 -0.034 0.000 0.814 564 A HN 0.297 nan 8.150 nan 0.000 0.446 565 T N -1.368 113.073 114.554 -0.187 0.000 2.720 565 T HA -0.226 4.115 4.350 -0.014 0.000 0.268 565 T C 1.756 176.449 174.700 -0.011 0.000 1.037 565 T CA 1.760 63.724 62.100 -0.227 0.000 1.144 565 T CB -0.507 68.059 68.868 -0.502 0.000 0.864 565 T HN 0.708 nan 8.240 nan 0.000 0.444 566 Y N 1.738 122.070 120.300 0.054 0.000 2.163 566 Y HA -0.053 4.489 4.550 -0.014 0.000 0.288 566 Y C 2.049 177.913 175.900 -0.059 0.000 1.136 566 Y CA 1.048 59.223 58.100 0.124 0.000 1.147 566 Y CB -0.505 38.016 38.460 0.102 0.000 0.987 566 Y HN 0.078 nan 8.280 nan 0.000 0.509 567 L N 0.491 121.263 121.223 -0.752 0.000 2.042 567 L HA -0.253 4.078 4.340 -0.014 0.000 0.210 567 L C 2.876 179.489 176.870 -0.428 0.000 1.076 567 L CA 1.301 55.651 54.840 -0.817 0.000 0.749 567 L CB -0.962 40.675 42.059 -0.704 0.000 0.893 567 L HN 0.459 nan 8.230 nan 0.000 0.432 568 A N -1.227 121.423 122.820 -0.282 0.000 1.872 568 A HA -0.187 4.125 4.320 -0.014 0.000 0.214 568 A C 2.525 180.040 177.584 -0.115 0.000 1.187 568 A CA 1.887 53.818 52.037 -0.175 0.000 0.614 568 A CB -0.625 18.268 19.000 -0.178 0.000 0.826 568 A HN 0.336 nan 8.150 nan 0.000 0.442 569 S N -1.406 114.241 115.700 -0.089 0.000 2.345 569 S HA -0.101 4.360 4.470 -0.014 0.000 0.219 569 S C 2.069 176.678 174.600 0.014 0.000 1.031 569 S CA 2.158 60.353 58.200 -0.008 0.000 0.984 569 S CB -0.418 62.833 63.200 0.085 0.000 0.874 569 S HN 0.573 nan 8.310 nan 0.000 0.451 570 T N 1.413 115.960 114.554 -0.012 0.000 2.901 570 T HA 0.151 4.493 4.350 -0.014 0.000 0.252 570 T C 1.315 175.994 174.700 -0.036 0.000 1.035 570 T CA 0.673 62.791 62.100 0.031 0.000 1.142 570 T CB -0.124 68.850 68.868 0.176 0.000 0.869 570 T HN 0.312 nan 8.240 nan 0.000 0.442 571 E N 1.407 121.495 120.200 -0.188 0.000 2.474 571 E HA 0.162 4.503 4.350 -0.014 0.000 0.195 571 E C 0.072 176.652 176.600 -0.033 0.000 1.039 571 E CA -0.102 56.225 56.400 -0.121 0.000 0.881 571 E CB -0.109 29.448 29.700 -0.237 0.000 0.970 571 E HN 0.341 nan 8.360 nan 0.000 0.486 572 N N 0.885 119.581 118.700 -0.007 0.000 2.727 572 N HA -0.206 4.525 4.740 -0.014 0.000 0.249 572 N C -0.535 175.072 175.510 0.162 0.000 1.048 572 N CA 0.700 53.823 53.050 0.121 0.000 0.714 572 N CB -1.433 37.157 38.487 0.171 0.000 0.959 572 N HN 0.304 nan 8.380 nan 0.000 0.544 573 I N 1.044 121.633 120.570 0.031 0.000 2.359 573 I HA 0.321 4.483 4.170 -0.014 0.000 0.294 573 I C 1.067 177.170 176.117 -0.024 0.000 0.987 573 I CA -0.711 60.615 61.300 0.044 0.000 1.225 573 I CB 1.265 39.289 38.000 0.040 0.000 1.366 573 I HN -0.061 nan 8.210 nan 0.000 0.466 574 I N 6.450 127.013 120.570 -0.013 0.000 2.471 574 I HA 0.139 4.300 4.170 -0.014 0.000 0.286 574 I C -0.379 175.715 176.117 -0.039 0.000 1.079 574 I CA -0.334 60.907 61.300 -0.097 0.000 1.398 574 I CB 0.851 38.788 38.000 -0.105 0.000 1.403 574 I HN 0.203 nan 8.210 nan 0.000 0.530 575 V N 6.620 126.498 119.914 -0.061 0.000 2.334 575 V HA 0.602 4.713 4.120 -0.014 0.000 0.281 575 V C 0.340 176.454 176.094 0.033 0.000 1.016 575 V CA -0.473 61.841 62.300 0.023 0.000 0.832 575 V CB 1.145 32.977 31.823 0.014 0.000 0.999 575 V HN 0.851 nan 8.190 nan 0.000 0.439 576 A N 3.931 126.802 122.820 0.085 0.000 2.337 576 A HA 0.953 5.265 4.320 -0.014 0.000 0.331 576 A C -0.109 177.645 177.584 0.283 0.000 1.137 576 A CA -0.499 51.602 52.037 0.107 0.000 0.807 576 A CB 1.648 20.573 19.000 -0.125 0.000 1.250 576 A HN 0.689 nan 8.150 nan 0.000 0.468 577 S N -0.330 115.592 115.700 0.370 0.000 2.549 577 S HA 0.757 5.218 4.470 -0.014 0.000 0.280 577 S C -1.494 173.478 174.600 0.621 0.000 1.109 577 S CA -0.296 58.165 58.200 0.435 0.000 0.905 577 S CB 1.357 64.749 63.200 0.320 0.000 1.081 577 S HN 0.754 nan 8.310 nan 0.000 0.477 578 F N 1.814 122.008 119.950 0.406 0.000 2.561 578 F HA 0.474 4.993 4.527 -0.014 0.000 0.313 578 F C -1.596 174.413 175.800 0.348 0.000 1.126 578 F CA -0.736 57.514 58.000 0.416 0.000 0.918 578 F CB 1.459 40.647 39.000 0.314 0.000 1.199 578 F HN 0.389 nan 8.300 nan 0.000 0.444 579 D N 4.505 124.739 120.400 -0.276 0.000 2.427 579 D HA 0.422 5.054 4.640 -0.014 0.000 0.226 579 D C 0.290 176.370 176.300 -0.366 0.000 1.076 579 D CA 0.108 54.025 54.000 -0.139 0.000 0.849 579 D CB 1.665 42.525 40.800 0.100 0.000 1.052 579 D HN 0.775 nan 8.370 nan 0.000 0.515 580 G N 1.571 110.282 108.800 -0.149 0.000 2.890 580 G HA2 0.355 4.307 3.960 -0.014 0.000 0.189 580 G HA3 0.355 4.307 3.960 -0.014 0.000 0.189 580 G C 0.097 175.131 174.900 0.222 0.000 1.342 580 G CA -0.692 44.401 45.100 -0.012 0.000 1.026 580 G HN 0.292 nan 8.290 nan 0.000 0.579 581 R N -0.782 119.832 120.500 0.190 0.000 2.694 581 R HA 0.352 4.684 4.340 -0.014 0.000 0.268 581 R C 0.586 176.999 176.300 0.189 0.000 1.061 581 R CA 0.355 56.581 56.100 0.210 0.000 1.133 581 R CB 0.408 30.796 30.300 0.146 0.000 1.020 581 R HN 0.444 nan 8.270 nan 0.000 0.475 582 G N 1.585 110.486 108.800 0.167 0.000 2.915 582 G HA2 0.102 4.053 3.960 -0.014 0.000 0.298 582 G HA3 0.102 4.053 3.960 -0.014 0.000 0.298 582 G C 0.259 175.207 174.900 0.080 0.000 0.837 582 G CA -0.548 44.627 45.100 0.124 0.000 1.752 582 G HN 0.630 nan 8.290 nan 0.000 0.526 583 S N 1.183 116.944 115.700 0.101 0.000 2.580 583 S HA 0.487 4.949 4.470 -0.014 0.000 0.261 583 S C 0.916 175.524 174.600 0.012 0.000 1.366 583 S CA 0.048 58.299 58.200 0.086 0.000 0.996 583 S CB 1.192 64.473 63.200 0.135 0.000 0.902 583 S HN 0.717 nan 8.310 nan 0.000 0.566 584 G N -1.408 107.369 108.800 -0.038 0.000 2.521 584 G HA2 0.500 4.451 3.960 -0.014 0.000 0.323 584 G HA3 0.500 4.451 3.960 -0.014 0.000 0.323 584 G C -0.948 173.869 174.900 -0.138 0.000 1.211 584 G CA -0.980 43.943 45.100 -0.294 0.000 0.979 584 G HN 0.951 nan 8.290 nan 0.000 0.490 585 Y N -2.373 117.947 120.300 0.032 0.000 4.668 585 Y HA -0.213 4.328 4.550 -0.014 0.000 0.234 585 Y C 1.398 177.327 175.900 0.048 0.000 1.056 585 Y CA 1.036 59.162 58.100 0.043 0.000 2.025 585 Y CB -2.170 36.330 38.460 0.066 0.000 1.613 585 Y HN 0.563 nan 8.280 nan 0.000 0.653 586 Q N -0.008 119.851 119.800 0.098 0.000 2.112 586 Q HA 0.516 4.847 4.340 -0.014 0.000 0.222 586 Q C 0.923 176.912 176.000 -0.018 0.000 0.798 586 Q CA 0.224 56.098 55.803 0.118 0.000 1.060 586 Q CB 1.610 30.395 28.738 0.078 0.000 1.184 586 Q HN 0.575 nan 8.270 nan 0.000 0.475 587 G N 0.681 109.332 108.800 -0.248 0.000 2.663 587 G HA2 -0.175 3.777 3.960 -0.014 0.000 0.686 587 G HA3 -0.175 3.777 3.960 -0.014 0.000 0.686 587 G C -0.530 174.030 174.900 -0.566 0.000 1.246 587 G CA -0.614 44.028 45.100 -0.764 0.000 0.795 587 G HN 0.108 nan 8.290 nan 0.000 0.627 588 D N 0.159 120.179 120.400 -0.634 0.000 2.224 588 D HA -0.019 4.612 4.640 -0.014 0.000 0.205 588 D C 2.376 178.417 176.300 -0.431 0.000 0.965 588 D CA 1.120 54.708 54.000 -0.687 0.000 0.852 588 D CB 0.045 40.456 40.800 -0.648 0.000 0.947 588 D HN 0.571 nan 8.370 nan 0.000 0.494 589 K N 0.011 120.220 120.400 -0.319 0.000 2.147 589 K HA -0.045 4.267 4.320 -0.014 0.000 0.205 589 K C 2.017 178.554 176.600 -0.105 0.000 1.049 589 K CA 0.651 56.838 56.287 -0.166 0.000 0.936 589 K CB 0.162 32.575 32.500 -0.145 0.000 0.722 589 K HN 0.167 nan 8.250 nan 0.000 0.446 590 I N 0.026 120.515 120.570 -0.136 0.000 2.429 590 I HA -0.155 4.006 4.170 -0.014 0.000 0.247 590 I C 2.409 178.513 176.117 -0.022 0.000 1.099 590 I CA 0.627 61.907 61.300 -0.033 0.000 1.422 590 I CB 0.027 38.006 38.000 -0.035 0.000 1.112 590 I HN 0.149 nan 8.210 nan 0.000 0.430 591 M N -0.038 119.474 119.600 -0.145 0.000 2.117 591 M HA -0.241 4.230 4.480 -0.014 0.000 0.262 591 M C 1.804 178.114 176.300 0.018 0.000 1.065 591 M CA 2.034 57.260 55.300 -0.124 0.000 1.114 591 M CB -0.276 32.123 32.600 -0.335 0.000 1.361 591 M HN 0.264 nan 8.290 nan 0.000 0.408 592 H N -0.888 118.105 119.070 -0.128 0.000 2.539 592 H HA 0.219 4.767 4.556 -0.014 0.000 0.267 592 H C 1.770 177.138 175.328 0.065 0.000 0.982 592 H CA 0.147 56.126 56.048 -0.116 0.000 1.146 592 H CB 0.207 29.806 29.762 -0.271 0.000 1.382 592 H HN 0.520 nan 8.280 nan 0.000 0.577 593 A N 0.734 123.670 122.820 0.193 0.000 2.125 593 A HA -0.125 4.187 4.320 -0.014 0.000 0.219 593 A C 1.828 179.620 177.584 0.348 0.000 1.156 593 A CA 1.142 53.307 52.037 0.213 0.000 0.671 593 A CB -0.176 18.902 19.000 0.131 0.000 0.794 593 A HN 0.308 nan 8.150 nan 0.000 0.459 594 I N -0.318 120.439 120.570 0.312 0.000 3.956 594 I HA 0.077 4.239 4.170 -0.014 0.000 0.333 594 I C 0.711 176.949 176.117 0.201 0.000 1.302 594 I CA -0.522 60.934 61.300 0.261 0.000 1.122 594 I CB -0.313 37.810 38.000 0.206 0.000 1.013 594 I HN 0.314 nan 8.210 nan 0.000 0.405 595 N N 1.980 120.852 118.700 0.286 0.000 2.359 595 N HA -0.091 4.640 4.740 -0.014 0.000 0.261 595 N C 0.247 175.817 175.510 0.099 0.000 1.267 595 N CA 0.290 53.504 53.050 0.274 0.000 0.864 595 N CB 0.255 38.897 38.487 0.259 0.000 1.063 595 N HN 0.215 nan 8.380 nan 0.000 0.474 596 R N 0.318 120.847 120.500 0.048 0.000 4.016 596 R HA -0.213 4.118 4.340 -0.014 0.000 0.385 596 R C -0.133 176.127 176.300 -0.067 0.000 1.158 596 R CA 1.629 57.725 56.100 -0.006 0.000 1.117 596 R CB -1.441 28.864 30.300 0.009 0.000 1.635 596 R HN 0.806 nan 8.270 nan 0.000 0.560 597 R N -0.137 120.310 120.500 -0.088 0.000 2.579 597 R HA 0.296 4.627 4.340 -0.014 0.000 0.386 597 R C -0.289 176.058 176.300 0.078 0.000 1.065 597 R CA -0.662 55.265 56.100 -0.288 0.000 1.143 597 R CB 0.132 30.159 30.300 -0.455 0.000 1.357 597 R HN -0.034 nan 8.270 nan 0.000 0.644 598 L N 1.120 122.428 121.223 0.143 0.000 2.529 598 L HA 0.168 4.500 4.340 -0.014 0.000 0.287 598 L C 1.225 178.338 176.870 0.405 0.000 1.241 598 L CA 1.488 56.432 54.840 0.172 0.000 0.857 598 L CB 0.275 42.222 42.059 -0.185 0.000 1.113 598 L HN 0.826 nan 8.230 nan 0.000 0.504 599 G N 0.979 110.046 108.800 0.445 0.000 2.176 599 G HA2 -0.291 3.661 3.960 -0.014 0.000 0.252 599 G HA3 -0.291 3.661 3.960 -0.014 0.000 0.252 599 G C 0.503 175.493 174.900 0.149 0.000 1.024 599 G CA 0.600 45.897 45.100 0.327 0.000 0.755 599 G HN 0.877 nan 8.290 nan 0.000 0.507 600 T N -3.742 110.867 114.554 0.092 0.000 3.518 600 T HA 0.429 4.771 4.350 -0.014 0.000 0.211 600 T C 1.693 176.392 174.700 -0.001 0.000 0.940 600 T CA 0.930 62.984 62.100 -0.076 0.000 1.307 600 T CB -0.021 68.617 68.868 -0.384 0.000 1.392 600 T HN 0.077 nan 8.240 nan 0.000 0.382 601 F N 3.071 123.070 119.950 0.082 0.000 2.186 601 F HA 0.156 4.675 4.527 -0.014 0.000 0.299 601 F C 2.453 178.301 175.800 0.081 0.000 1.090 601 F CA 0.964 59.003 58.000 0.065 0.000 1.307 601 F CB -0.962 38.076 39.000 0.063 0.000 1.019 601 F HN 0.379 nan 8.300 nan 0.000 0.489 602 E N 0.129 120.503 120.200 0.290 0.000 2.110 602 E HA -0.143 4.199 4.350 -0.014 0.000 0.193 602 E C 2.183 178.896 176.600 0.190 0.000 0.988 602 E CA 1.407 57.950 56.400 0.238 0.000 0.804 602 E CB -1.121 28.733 29.700 0.256 0.000 0.745 602 E HN 0.231 nan 8.360 nan 0.000 0.458 603 V N 1.076 121.073 119.914 0.137 0.000 2.379 603 V HA -0.237 3.874 4.120 -0.014 0.000 0.245 603 V C 2.399 178.536 176.094 0.073 0.000 1.044 603 V CA 1.948 64.282 62.300 0.058 0.000 1.036 603 V CB -0.640 31.167 31.823 -0.026 0.000 0.664 603 V HN 0.227 nan 8.190 nan 0.000 0.453 604 E N 0.475 120.738 120.200 0.105 0.000 2.070 604 E HA -0.301 4.040 4.350 -0.014 0.000 0.197 604 E C 1.869 178.510 176.600 0.069 0.000 1.004 604 E CA 1.908 58.369 56.400 0.101 0.000 0.805 604 E CB -0.106 29.703 29.700 0.183 0.000 0.744 604 E HN 0.596 nan 8.360 nan 0.000 0.451 605 D N -0.183 120.278 120.400 0.102 0.000 2.219 605 D HA -0.129 4.502 4.640 -0.014 0.000 0.205 605 D C 1.954 178.277 176.300 0.038 0.000 0.970 605 D CA 0.584 54.629 54.000 0.076 0.000 0.851 605 D CB -0.120 40.792 40.800 0.188 0.000 0.943 605 D HN 0.182 nan 8.370 nan 0.000 0.488 606 Q N 0.184 120.058 119.800 0.123 0.000 2.119 606 Q HA -0.033 4.299 4.340 -0.014 0.000 0.201 606 Q C 2.512 178.571 176.000 0.098 0.000 0.972 606 Q CA 0.463 56.341 55.803 0.124 0.000 0.847 606 Q CB -0.097 28.730 28.738 0.148 0.000 0.903 606 Q HN 0.420 nan 8.270 nan 0.000 0.433 607 I N 0.967 121.599 120.570 0.104 0.000 2.113 607 I HA -0.310 3.852 4.170 -0.014 0.000 0.238 607 I C 2.058 178.149 176.117 -0.044 0.000 1.070 607 I CA 1.804 63.197 61.300 0.155 0.000 1.332 607 I CB -0.284 37.779 38.000 0.106 0.000 1.044 607 I HN 0.260 nan 8.210 nan 0.000 0.402 608 E N 1.430 121.547 120.200 -0.139 0.000 2.427 608 E HA 0.009 4.350 4.350 -0.014 0.000 0.196 608 E C 1.932 178.271 176.600 -0.435 0.000 1.028 608 E CA 0.829 57.091 56.400 -0.231 0.000 0.864 608 E CB -0.247 29.343 29.700 -0.183 0.000 0.813 608 E HN 0.416 nan 8.360 nan 0.000 0.514 609 A N 1.762 124.200 122.820 -0.637 0.000 1.898 609 A HA 0.064 4.376 4.320 -0.014 0.000 0.216 609 A C 2.498 179.537 177.584 -0.909 0.000 1.181 609 A CA 1.530 52.892 52.037 -1.126 0.000 0.620 609 A CB -0.809 17.203 19.000 -1.645 0.000 0.819 609 A HN 0.385 nan 8.150 nan 0.000 0.442 610 A N -0.677 121.900 122.820 -0.404 0.000 2.015 610 A HA -0.099 4.213 4.320 -0.014 0.000 0.219 610 A C 2.232 179.663 177.584 -0.255 0.000 1.163 610 A CA 1.353 53.273 52.037 -0.195 0.000 0.646 610 A CB -0.408 18.473 19.000 -0.198 0.000 0.806 610 A HN 0.513 nan 8.150 nan 0.000 0.448 611 R N -0.703 119.622 120.500 -0.292 0.000 2.073 611 R HA -0.093 4.238 4.340 -0.014 0.000 0.229 611 R C 2.447 178.607 176.300 -0.232 0.000 1.120 611 R CA 1.464 57.422 56.100 -0.237 0.000 0.967 611 R CB -0.210 29.968 30.300 -0.203 0.000 0.862 611 R HN 0.651 nan 8.270 nan 0.000 0.436 612 Q N -0.286 119.319 119.800 -0.325 0.000 2.046 612 Q HA -0.137 4.195 4.340 -0.014 0.000 0.200 612 Q C 2.092 177.968 176.000 -0.207 0.000 0.975 612 Q CA 1.417 57.039 55.803 -0.301 0.000 0.836 612 Q CB -0.245 28.245 28.738 -0.415 0.000 0.896 612 Q HN 0.401 nan 8.270 nan 0.000 0.428 613 F N 0.772 120.557 119.950 -0.275 0.000 2.154 613 F HA -0.251 4.267 4.527 -0.014 0.000 0.301 613 F C 2.736 178.386 175.800 -0.251 0.000 1.087 613 F CA 0.491 58.335 58.000 -0.260 0.000 1.274 613 F CB -0.092 38.782 39.000 -0.211 0.000 1.009 613 F HN 0.064 nan 8.300 nan 0.000 0.485 614 S N -0.354 115.320 115.700 -0.044 0.000 2.447 614 S HA -0.132 4.330 4.470 -0.014 0.000 0.233 614 S C 1.752 176.269 174.600 -0.139 0.000 1.006 614 S CA 0.945 59.080 58.200 -0.108 0.000 0.957 614 S CB -0.153 62.963 63.200 -0.139 0.000 0.773 614 S HN 0.302 nan 8.310 nan 0.000 0.507 615 K N 0.482 120.798 120.400 -0.140 0.000 2.365 615 K HA 0.127 4.439 4.320 -0.014 0.000 0.197 615 K C 0.498 177.001 176.600 -0.162 0.000 1.042 615 K CA 0.302 56.509 56.287 -0.133 0.000 0.987 615 K CB 0.018 32.449 32.500 -0.115 0.000 0.779 615 K HN 0.502 nan 8.250 nan 0.000 0.484 616 M N -0.741 118.711 119.600 -0.246 0.000 2.242 616 M HA 0.176 4.647 4.480 -0.014 0.000 0.344 616 M C 1.325 177.354 176.300 -0.452 0.000 1.140 616 M CA 0.008 55.078 55.300 -0.383 0.000 1.160 616 M CB 0.582 32.802 32.600 -0.632 0.000 1.491 616 M HN -0.056 nan 8.290 nan 0.000 0.459 617 G N 1.544 110.158 108.800 -0.310 0.000 2.471 617 G HA2 -0.092 3.860 3.960 -0.014 0.000 0.219 617 G HA3 -0.092 3.860 3.960 -0.014 0.000 0.219 617 G C 0.816 175.676 174.900 -0.066 0.000 1.125 617 G CA 0.337 45.362 45.100 -0.125 0.000 0.775 617 G HN 0.828 nan 8.290 nan 0.000 0.548 618 F N -0.170 119.831 119.950 0.084 0.000 2.693 618 F HA 0.583 5.101 4.527 -0.014 0.000 0.303 618 F C -0.075 175.841 175.800 0.193 0.000 1.097 618 F CA -1.398 56.689 58.000 0.145 0.000 1.330 618 F CB -0.247 38.882 39.000 0.215 0.000 1.067 618 F HN -0.189 nan 8.300 nan 0.000 0.565 619 V N 1.723 121.602 119.914 -0.058 0.000 2.398 619 V HA 0.203 4.314 4.120 -0.014 0.000 0.286 619 V C -0.703 175.368 176.094 -0.038 0.000 1.026 619 V CA -0.815 61.485 62.300 0.000 0.000 0.868 619 V CB 1.424 33.176 31.823 -0.118 0.000 0.982 619 V HN 0.059 nan 8.190 nan 0.000 0.443 620 D N 4.019 124.400 120.400 -0.031 0.000 2.339 620 D HA 0.076 4.707 4.640 -0.014 0.000 0.241 620 D C 1.281 177.525 176.300 -0.093 0.000 1.183 620 D CA -0.245 53.710 54.000 -0.074 0.000 0.859 620 D CB 0.818 41.557 40.800 -0.103 0.000 1.067 620 D HN 0.635 nan 8.370 nan 0.000 0.484 621 N N 3.727 122.375 118.700 -0.086 0.000 2.459 621 N HA -0.146 4.585 4.740 -0.014 0.000 0.181 621 N C 0.603 176.065 175.510 -0.080 0.000 1.046 621 N CA 0.592 53.586 53.050 -0.094 0.000 0.904 621 N CB 0.079 38.511 38.487 -0.091 0.000 0.964 621 N HN 0.387 nan 8.380 nan 0.000 0.444 622 K N 0.009 120.371 120.400 -0.063 0.000 2.393 622 K HA 0.178 4.489 4.320 -0.014 0.000 0.193 622 K C 0.274 176.869 176.600 -0.009 0.000 1.026 622 K CA 0.108 56.377 56.287 -0.031 0.000 1.064 622 K CB 0.507 32.993 32.500 -0.024 0.000 0.833 622 K HN 0.130 nan 8.250 nan 0.000 0.521 623 R N 1.367 121.825 120.500 -0.071 0.000 2.738 623 R HA 0.340 4.672 4.340 -0.014 0.000 0.280 623 R C -0.860 175.350 176.300 -0.150 0.000 1.456 623 R CA -0.139 55.886 56.100 -0.126 0.000 1.612 623 R CB 0.622 30.660 30.300 -0.437 0.000 1.286 623 R HN -0.007 nan 8.270 nan 0.000 0.660 624 I N 1.147 121.756 120.570 0.065 0.000 2.354 624 I HA 0.569 4.730 4.170 -0.014 0.000 0.292 624 I C 0.213 176.604 176.117 0.457 0.000 0.989 624 I CA -0.647 60.742 61.300 0.148 0.000 1.188 624 I CB 1.735 39.669 38.000 -0.110 0.000 1.342 624 I HN 0.303 nan 8.210 nan 0.000 0.457 625 A N 7.069 130.269 122.820 0.633 0.000 2.486 625 A HA 0.943 5.254 4.320 -0.014 0.000 0.289 625 A C -1.187 176.759 177.584 0.603 0.000 1.176 625 A CA -0.641 51.781 52.037 0.641 0.000 0.757 625 A CB 2.358 21.654 19.000 0.494 0.000 1.337 625 A HN 0.723 nan 8.150 nan 0.000 0.423 626 I N -0.026 120.806 120.570 0.437 0.000 2.775 626 I HA 0.686 4.847 4.170 -0.014 0.000 0.295 626 I C -2.055 174.320 176.117 0.430 0.000 1.287 626 I CA -0.436 61.059 61.300 0.325 0.000 1.029 626 I CB 1.701 39.644 38.000 -0.095 0.000 1.282 626 I HN 0.978 nan 8.210 nan 0.000 0.426 627 W N 6.897 128.331 121.300 0.223 0.000 3.137 627 W HA 0.856 5.507 4.660 -0.015 0.000 0.324 627 W C -1.464 175.212 176.519 0.261 0.000 1.253 627 W CA -0.813 56.678 57.345 0.243 0.000 1.183 627 W CB 1.044 30.694 29.460 0.317 0.000 1.424 627 W HN 0.884 nan 8.180 nan 0.000 0.566 628 G N 0.485 109.148 108.800 -0.228 0.000 2.547 628 G HA2 0.463 4.415 3.960 -0.014 0.000 0.291 628 G HA3 0.463 4.415 3.960 -0.014 0.000 0.291 628 G C -2.980 171.858 174.900 -0.103 0.000 1.471 628 G CA -0.860 43.960 45.100 -0.467 0.000 0.798 628 G HN 0.898 nan 8.290 nan 0.000 0.504 629 W N 1.048 122.221 121.300 -0.213 0.000 2.736 629 W HA 0.634 5.285 4.660 -0.015 0.000 0.335 629 W C 0.775 177.355 176.519 0.102 0.000 1.059 629 W CA 0.669 57.991 57.345 -0.038 0.000 1.226 629 W CB 2.064 31.491 29.460 -0.054 0.000 1.416 629 W HN 1.520 nan 8.180 nan 0.000 0.505 630 S N 2.421 117.691 115.700 -0.717 0.000 4.116 630 S HA -0.465 3.997 4.470 -0.014 0.000 0.623 630 S C 1.048 175.452 174.600 -0.326 0.000 1.933 630 S CA 1.743 59.536 58.200 -0.678 0.000 4.224 630 S CB -1.843 60.668 63.200 -1.149 0.000 0.208 630 S HN 1.048 nan 8.310 nan 0.000 0.527 631 Y N 2.150 122.203 120.300 -0.411 0.000 2.256 631 Y HA -0.033 4.508 4.550 -0.014 0.000 0.288 631 Y C 2.343 178.076 175.900 -0.279 0.000 1.155 631 Y CA 2.474 60.341 58.100 -0.389 0.000 1.203 631 Y CB -0.946 37.134 38.460 -0.632 0.000 0.980 631 Y HN 0.530 nan 8.280 nan 0.000 0.530 632 G N -0.895 107.858 108.800 -0.078 0.000 2.432 632 G HA2 -0.236 3.715 3.960 -0.014 0.000 0.219 632 G HA3 -0.236 3.715 3.960 -0.014 0.000 0.219 632 G C 1.854 176.756 174.900 0.003 0.000 1.135 632 G CA 0.725 45.849 45.100 0.041 0.000 0.767 632 G HN 0.569 nan 8.290 nan 0.000 0.550 633 G N -0.096 108.693 108.800 -0.019 0.000 2.418 633 G HA2 -0.257 3.694 3.960 -0.014 0.000 0.217 633 G HA3 -0.257 3.694 3.960 -0.014 0.000 0.217 633 G C 1.595 176.494 174.900 -0.003 0.000 1.158 633 G CA 1.095 46.202 45.100 0.011 0.000 0.771 633 G HN 0.401 nan 8.290 nan 0.000 0.545 634 Y N 1.459 121.610 120.300 -0.248 0.000 2.081 634 Y HA -0.191 4.350 4.550 -0.015 0.000 0.280 634 Y C 2.821 178.596 175.900 -0.209 0.000 1.163 634 Y CA 1.842 59.747 58.100 -0.325 0.000 1.135 634 Y CB -0.557 37.529 38.460 -0.623 0.000 0.970 634 Y HN 0.040 nan 8.280 nan 0.000 0.498 635 V N -0.547 119.213 119.914 -0.255 0.000 2.358 635 V HA -0.306 3.806 4.120 -0.014 0.000 0.246 635 V C 2.331 178.306 176.094 -0.199 0.000 1.047 635 V CA 2.319 64.467 62.300 -0.253 0.000 1.035 635 V CB -1.221 30.599 31.823 -0.004 0.000 0.658 635 V HN 0.477 nan 8.190 nan 0.000 0.452 636 T N 0.112 114.605 114.554 -0.102 0.000 2.624 636 T HA -0.236 4.106 4.350 -0.014 0.000 0.268 636 T C 2.141 176.783 174.700 -0.098 0.000 1.041 636 T CA 2.219 64.276 62.100 -0.072 0.000 1.159 636 T CB -0.307 68.601 68.868 0.068 0.000 0.863 636 T HN 0.523 nan 8.240 nan 0.000 0.434 637 S N 0.817 116.492 115.700 -0.040 0.000 2.368 637 S HA 0.001 4.462 4.470 -0.014 0.000 0.224 637 S C 2.125 176.644 174.600 -0.135 0.000 1.029 637 S CA 0.904 59.112 58.200 0.014 0.000 0.988 637 S CB -0.255 63.009 63.200 0.105 0.000 0.838 637 S HN 0.329 nan 8.310 nan 0.000 0.462 638 M N 0.880 120.307 119.600 -0.287 0.000 2.229 638 M HA -0.002 4.470 4.480 -0.014 0.000 0.264 638 M C 2.164 178.297 176.300 -0.277 0.000 1.063 638 M CA 0.952 56.061 55.300 -0.318 0.000 1.114 638 M CB -1.364 30.937 32.600 -0.500 0.000 1.387 638 M HN 0.172 nan 8.290 nan 0.000 0.420 639 V N 0.737 120.479 119.914 -0.286 0.000 2.307 639 V HA -0.234 3.878 4.120 -0.014 0.000 0.245 639 V C 2.513 178.402 176.094 -0.342 0.000 1.045 639 V CA 1.382 63.511 62.300 -0.286 0.000 1.024 639 V CB -0.612 30.974 31.823 -0.394 0.000 0.651 639 V HN 0.400 nan 8.190 nan 0.000 0.449 640 L N 0.414 121.364 121.223 -0.456 0.000 2.191 640 L HA -0.065 4.266 4.340 -0.014 0.000 0.212 640 L C 2.239 178.545 176.870 -0.940 0.000 1.103 640 L CA 1.531 56.004 54.840 -0.611 0.000 0.769 640 L CB -0.820 40.836 42.059 -0.672 0.000 0.908 640 L HN 0.497 nan 8.230 nan 0.000 0.438 641 G N -2.014 106.212 108.800 -0.957 0.000 3.233 641 G HA2 -0.042 3.910 3.960 -0.014 0.000 0.227 641 G HA3 -0.042 3.910 3.960 -0.014 0.000 0.227 641 G C 1.464 176.189 174.900 -0.291 0.000 1.175 641 G CA 0.072 44.744 45.100 -0.712 0.000 0.781 641 G HN 0.172 nan 8.290 nan 0.000 0.542 642 S N -0.207 115.345 115.700 -0.246 0.000 2.461 642 S HA 0.242 4.703 4.470 -0.014 0.000 0.228 642 S C 2.107 176.659 174.600 -0.080 0.000 1.005 642 S CA 1.110 59.236 58.200 -0.123 0.000 0.942 642 S CB -0.136 63.014 63.200 -0.084 0.000 0.776 642 S HN 1.111 nan 8.310 nan 0.000 0.514 643 G N 1.062 109.805 108.800 -0.094 0.000 2.148 643 G HA2 -0.322 3.629 3.960 -0.014 0.000 0.254 643 G HA3 -0.322 3.629 3.960 -0.014 0.000 0.254 643 G C 1.042 175.930 174.900 -0.020 0.000 0.981 643 G CA 1.059 46.129 45.100 -0.050 0.000 0.670 643 G HN 0.803 nan 8.290 nan 0.000 0.528 644 S N -0.395 115.304 115.700 -0.002 0.000 2.402 644 S HA 0.272 4.733 4.470 -0.014 0.000 0.229 644 S C 2.577 177.183 174.600 0.010 0.000 1.021 644 S CA 1.778 59.990 58.200 0.020 0.000 0.974 644 S CB -0.373 62.871 63.200 0.074 0.000 0.800 644 S HN 2.433 nan 8.310 nan 0.000 0.484 645 G N -0.137 108.676 108.800 0.022 0.000 2.168 645 G HA2 -0.270 3.682 3.960 -0.014 0.000 0.263 645 G HA3 -0.270 3.682 3.960 -0.014 0.000 0.263 645 G C 0.710 175.597 174.900 -0.022 0.000 0.977 645 G CA 0.443 45.547 45.100 0.007 0.000 0.659 645 G HN 0.734 nan 8.290 nan 0.000 0.533 646 V N -0.840 119.048 119.914 -0.044 0.000 2.788 646 V HA 0.318 4.430 4.120 -0.014 0.000 0.251 646 V C 1.024 176.900 176.094 -0.363 0.000 1.068 646 V CA 1.259 63.405 62.300 -0.256 0.000 1.090 646 V CB -0.249 31.314 31.823 -0.433 0.000 0.710 646 V HN 0.295 nan 8.190 nan 0.000 0.467 647 F N -0.170 119.794 119.950 0.023 0.000 2.458 647 F HA 0.413 4.931 4.527 -0.014 0.000 0.336 647 F C 1.047 176.895 175.800 0.079 0.000 1.114 647 F CA -0.593 57.447 58.000 0.067 0.000 0.987 647 F CB 1.674 40.713 39.000 0.064 0.000 1.130 647 F HN -0.273 nan 8.300 nan 0.000 0.458 648 K N 1.678 122.250 120.400 0.287 0.000 2.044 648 K HA 0.066 4.378 4.320 -0.014 0.000 0.204 648 K C -0.025 176.720 176.600 0.242 0.000 1.049 648 K CA 1.088 57.511 56.287 0.226 0.000 0.945 648 K CB 0.234 32.872 32.500 0.230 0.000 0.724 648 K HN 0.788 nan 8.250 nan 0.000 0.440 649 c N -2.792 115.991 118.600 0.304 0.000 3.318 649 c HA 0.903 5.464 4.570 -0.014 0.000 0.322 649 c C -0.235 174.084 174.090 0.381 0.000 1.398 649 c CA -0.662 55.859 56.329 0.321 0.000 1.339 649 c CB 1.106 43.738 42.510 0.205 0.000 1.668 649 c HN 0.377 nan 8.230 nan 0.000 0.462 650 G N -0.010 109.079 108.800 0.483 0.000 2.703 650 G HA2 0.705 4.657 3.960 -0.014 0.000 0.294 650 G HA3 0.705 4.657 3.960 -0.014 0.000 0.294 650 G C -1.932 173.224 174.900 0.427 0.000 1.451 650 G CA -0.665 44.694 45.100 0.431 0.000 0.869 650 G HN 0.976 nan 8.290 nan 0.000 0.516 651 I N 0.945 121.742 120.570 0.379 0.000 2.447 651 I HA 0.596 4.758 4.170 -0.014 0.000 0.287 651 I C 0.173 176.480 176.117 0.317 0.000 1.023 651 I CA -0.966 60.467 61.300 0.221 0.000 1.083 651 I CB 2.206 40.331 38.000 0.208 0.000 1.245 651 I HN 0.629 nan 8.210 nan 0.000 0.434 652 A N 6.669 129.591 122.820 0.169 0.000 2.273 652 A HA 0.740 5.052 4.320 -0.014 0.000 0.315 652 A C -0.673 176.988 177.584 0.128 0.000 1.256 652 A CA -0.492 51.658 52.037 0.187 0.000 0.851 652 A CB 1.001 20.138 19.000 0.229 0.000 1.172 652 A HN 0.449 nan 8.150 nan 0.000 0.508 653 V N 2.321 122.354 119.914 0.198 0.000 2.370 653 V HA 0.547 4.659 4.120 -0.014 0.000 0.283 653 V C 0.960 177.089 176.094 0.057 0.000 1.023 653 V CA 0.399 62.812 62.300 0.187 0.000 0.857 653 V CB 0.649 32.688 31.823 0.359 0.000 0.985 653 V HN 2.060 nan 8.190 nan 0.000 0.443 654 A N 5.813 128.551 122.820 -0.138 0.000 2.560 654 A HA -0.100 4.211 4.320 -0.014 0.000 0.299 654 A C -1.743 175.679 177.584 -0.271 0.000 1.484 654 A CA 0.292 52.011 52.037 -0.530 0.000 0.749 654 A CB -1.615 17.220 19.000 -0.275 0.000 1.072 654 A HN 0.620 nan 8.150 nan 0.000 0.426 655 P HA 0.388 nan 4.420 nan 0.000 0.275 655 P C 0.314 177.515 177.300 -0.165 0.000 1.228 655 P CA -0.086 62.946 63.100 -0.113 0.000 0.786 655 P CB 1.087 32.780 31.700 -0.011 0.000 0.927 656 V N 2.364 122.061 119.914 -0.363 0.000 2.715 656 V HA 0.057 4.168 4.120 -0.014 0.000 0.299 656 V C 1.765 177.615 176.094 -0.408 0.000 1.054 656 V CA 1.062 63.028 62.300 -0.556 0.000 1.077 656 V CB 0.616 31.735 31.823 -1.173 0.000 0.972 656 V HN 0.838 nan 8.190 nan 0.000 0.484 657 S N 3.346 118.838 115.700 -0.346 0.000 2.575 657 S HA 0.278 4.739 4.470 -0.014 0.000 0.230 657 S C 0.550 174.949 174.600 -0.334 0.000 1.062 657 S CA -0.334 57.745 58.200 -0.202 0.000 0.913 657 S CB 0.372 63.533 63.200 -0.065 0.000 0.837 657 S HN 0.735 nan 8.310 nan 0.000 0.487 658 R N -0.905 119.276 120.500 -0.531 0.000 2.522 658 R HA 0.283 4.615 4.340 -0.014 0.000 0.273 658 R C -1.258 174.717 176.300 -0.542 0.000 1.133 658 R CA -0.627 55.114 56.100 -0.598 0.000 0.969 658 R CB 0.387 30.224 30.300 -0.773 0.000 1.235 658 R HN 0.276 nan 8.270 nan 0.000 0.433 659 W N 2.083 123.275 121.300 -0.181 0.000 2.595 659 W HA 0.019 4.671 4.660 -0.013 0.000 0.257 659 W C 1.246 177.889 176.519 0.207 0.000 1.267 659 W CA 0.352 57.680 57.345 -0.028 0.000 1.300 659 W CB 0.469 29.817 29.460 -0.187 0.000 1.120 659 W HN 0.715 nan 8.180 nan 0.000 0.618 660 E N -0.952 119.424 120.200 0.293 0.000 2.338 660 E HA -0.175 4.166 4.350 -0.014 0.000 0.197 660 E C 1.166 177.921 176.600 0.259 0.000 1.007 660 E CA 1.046 57.568 56.400 0.204 0.000 0.849 660 E CB -0.417 29.293 29.700 0.017 0.000 0.774 660 E HN 0.509 nan 8.360 nan 0.000 0.506 661 Y N -1.698 118.700 120.300 0.164 0.000 2.517 661 Y HA 0.037 4.579 4.550 -0.013 0.000 0.281 661 Y C 0.780 176.836 175.900 0.261 0.000 1.125 661 Y CA -0.487 57.689 58.100 0.127 0.000 1.283 661 Y CB 0.361 38.833 38.460 0.020 0.000 1.042 661 Y HN 0.051 nan 8.280 nan 0.000 0.547 662 Y N 1.873 122.359 120.300 0.309 0.000 2.458 662 Y HA 0.149 4.690 4.550 -0.015 0.000 0.322 662 Y C 0.157 176.290 175.900 0.387 0.000 1.259 662 Y CA -1.698 56.594 58.100 0.321 0.000 1.302 662 Y CB 0.766 39.407 38.460 0.301 0.000 1.314 662 Y HN 0.100 nan 8.280 nan 0.000 0.509 663 D N -0.112 120.044 120.400 -0.407 0.000 2.362 663 D HA 0.047 4.678 4.640 -0.014 0.000 0.242 663 D C 0.930 177.196 176.300 -0.057 0.000 1.132 663 D CA 0.213 54.031 54.000 -0.305 0.000 0.907 663 D CB 1.434 41.858 40.800 -0.628 0.000 1.195 663 D HN 0.510 nan 8.370 nan 0.000 0.429 664 S N 1.356 117.043 115.700 -0.022 0.000 2.356 664 S HA -0.215 4.246 4.470 -0.014 0.000 0.223 664 S C 1.859 176.479 174.600 0.033 0.000 1.032 664 S CA 1.244 59.482 58.200 0.062 0.000 1.005 664 S CB -0.955 62.289 63.200 0.075 0.000 0.867 664 S HN 0.420 nan 8.310 nan 0.000 0.449 665 V N 1.034 120.914 119.914 -0.056 0.000 2.252 665 V HA -0.194 3.917 4.120 -0.014 0.000 0.249 665 V C 2.307 178.315 176.094 -0.143 0.000 1.056 665 V CA 2.383 64.564 62.300 -0.198 0.000 1.022 665 V CB -1.195 30.405 31.823 -0.370 0.000 0.641 665 V HN 0.663 nan 8.190 nan 0.000 0.445 666 Y N 1.204 121.436 120.300 -0.113 0.000 2.109 666 Y HA -0.276 4.266 4.550 -0.014 0.000 0.285 666 Y C 2.989 178.867 175.900 -0.036 0.000 1.131 666 Y CA 2.563 60.667 58.100 0.006 0.000 1.121 666 Y CB -0.532 38.121 38.460 0.323 0.000 0.987 666 Y HN 0.317 nan 8.280 nan 0.000 0.495 667 T N -1.166 113.603 114.554 0.359 0.000 2.867 667 T HA -0.156 4.185 4.350 -0.014 0.000 0.268 667 T C 1.532 176.188 174.700 -0.073 0.000 1.057 667 T CA 1.818 64.040 62.100 0.203 0.000 1.136 667 T CB -0.396 68.753 68.868 0.468 0.000 0.874 667 T HN 0.588 nan 8.240 nan 0.000 0.466 668 E N 0.216 120.395 120.200 -0.034 0.000 2.208 668 E HA -0.012 4.329 4.350 -0.014 0.000 0.193 668 E C 2.421 178.893 176.600 -0.213 0.000 0.988 668 E CA 0.395 56.776 56.400 -0.033 0.000 0.828 668 E CB -0.134 29.596 29.700 0.049 0.000 0.763 668 E HN 0.485 nan 8.360 nan 0.000 0.478 669 R N 0.253 120.471 120.500 -0.470 0.000 2.103 669 R HA -0.213 4.118 4.340 -0.014 0.000 0.242 669 R C 1.387 177.155 176.300 -0.887 0.000 1.142 669 R CA 1.803 57.437 56.100 -0.777 0.000 0.960 669 R CB -0.104 29.413 30.300 -1.305 0.000 0.858 669 R HN 0.292 nan 8.270 nan 0.000 0.439 670 Y N -2.240 117.706 120.300 -0.589 0.000 2.507 670 Y HA 0.184 4.725 4.550 -0.014 0.000 0.263 670 Y C 1.890 177.582 175.900 -0.347 0.000 1.093 670 Y CA -0.241 57.491 58.100 -0.613 0.000 1.285 670 Y CB 0.435 38.404 38.460 -0.819 0.000 1.115 670 Y HN -0.024 nan 8.280 nan 0.000 0.533 671 M N -0.258 119.223 119.600 -0.198 0.000 2.308 671 M HA 0.332 4.804 4.480 -0.014 0.000 0.269 671 M C 1.117 177.432 176.300 0.026 0.000 1.040 671 M CA 0.710 55.899 55.300 -0.186 0.000 1.024 671 M CB -0.217 32.088 32.600 -0.492 0.000 1.465 671 M HN 0.369 nan 8.290 nan 0.000 0.517 672 G N 1.860 110.686 108.800 0.043 0.000 2.601 672 G HA2 -0.255 3.696 3.960 -0.014 0.000 0.252 672 G HA3 -0.255 3.696 3.960 -0.014 0.000 0.252 672 G C -0.397 174.633 174.900 0.216 0.000 1.294 672 G CA -0.610 44.556 45.100 0.110 0.000 0.912 672 G HN 0.366 nan 8.290 nan 0.000 0.574 673 L N 1.779 123.097 121.223 0.160 0.000 2.322 673 L HA 0.434 4.765 4.340 -0.014 0.000 0.279 673 L C -1.593 175.252 176.870 -0.041 0.000 1.036 673 L CA -1.876 53.006 54.840 0.071 0.000 0.807 673 L CB 2.050 44.119 42.059 0.018 0.000 1.226 673 L HN 0.413 nan 8.230 nan 0.000 0.433 674 P HA 0.053 nan 4.420 nan 0.000 0.226 674 P C -0.479 176.664 177.300 -0.262 0.000 1.783 674 P CA -0.005 62.676 63.100 -0.697 0.000 0.980 674 P CB -0.520 30.567 31.700 -1.022 0.000 1.967 675 T N -2.724 111.763 114.554 -0.111 0.000 2.916 675 T HA 0.481 4.822 4.350 -0.014 0.000 0.292 675 T C -2.330 172.364 174.700 -0.010 0.000 1.055 675 T CA -2.507 59.560 62.100 -0.054 0.000 1.009 675 T CB 1.938 70.785 68.868 -0.035 0.000 1.118 675 T HN -0.303 nan 8.240 nan 0.000 0.497 676 P HA -0.143 nan 4.420 nan 0.000 0.216 676 P C 1.343 178.654 177.300 0.019 0.000 1.150 676 P CA 1.206 64.313 63.100 0.012 0.000 0.843 676 P CB 0.102 31.805 31.700 0.006 0.000 0.787 677 E N -1.014 119.194 120.200 0.013 0.000 2.152 677 E HA -0.129 4.213 4.350 -0.014 0.000 0.192 677 E C 1.292 177.907 176.600 0.025 0.000 0.983 677 E CA 0.894 57.303 56.400 0.015 0.000 0.818 677 E CB -0.361 29.343 29.700 0.007 0.000 0.758 677 E HN 0.347 nan 8.360 nan 0.000 0.467 678 D N 0.624 121.044 120.400 0.033 0.000 2.736 678 D HA -0.001 4.631 4.640 -0.014 0.000 0.251 678 D C 0.670 177.021 176.300 0.085 0.000 1.348 678 D CA 0.174 54.207 54.000 0.054 0.000 1.160 678 D CB 0.087 40.921 40.800 0.056 0.000 0.928 678 D HN -0.092 nan 8.370 nan 0.000 0.228 679 N N -0.091 118.690 118.700 0.135 0.000 2.299 679 N HA 0.061 4.793 4.740 -0.014 0.000 0.246 679 N C 1.083 176.783 175.510 0.316 0.000 1.254 679 N CA -0.125 53.057 53.050 0.219 0.000 0.879 679 N CB 0.181 38.827 38.487 0.264 0.000 1.214 679 N HN 0.087 nan 8.380 nan 0.000 0.510 680 L N 0.483 121.807 121.223 0.169 0.000 2.081 680 L HA -0.132 4.200 4.340 -0.014 0.000 0.212 680 L C 1.231 178.213 176.870 0.188 0.000 1.080 680 L CA 1.977 56.886 54.840 0.116 0.000 0.754 680 L CB -0.443 41.625 42.059 0.015 0.000 0.893 680 L HN 0.128 nan 8.230 nan 0.000 0.433 681 D N -1.574 118.922 120.400 0.160 0.000 2.117 681 D HA -0.216 4.415 4.640 -0.014 0.000 0.198 681 D C 2.023 178.430 176.300 0.177 0.000 0.982 681 D CA 1.556 55.638 54.000 0.137 0.000 0.828 681 D CB -0.098 40.766 40.800 0.107 0.000 0.967 681 D HN 0.576 nan 8.370 nan 0.000 0.464 682 H N -0.852 118.281 119.070 0.104 0.000 2.502 682 H HA -0.030 4.517 4.556 -0.014 0.000 0.283 682 H C 1.552 176.933 175.328 0.088 0.000 1.015 682 H CA 0.975 57.061 56.048 0.062 0.000 1.298 682 H CB -0.266 29.498 29.762 0.004 0.000 1.411 682 H HN 0.137 nan 8.280 nan 0.000 0.556 683 Y N 0.087 120.375 120.300 -0.019 0.000 2.207 683 Y HA -0.162 4.380 4.550 -0.014 0.000 0.287 683 Y C 2.246 178.113 175.900 -0.056 0.000 1.156 683 Y CA 1.426 59.510 58.100 -0.026 0.000 1.182 683 Y CB 0.206 38.681 38.460 0.025 0.000 0.979 683 Y HN 0.128 nan 8.280 nan 0.000 0.521 684 R N -0.905 119.665 120.500 0.116 0.000 2.173 684 R HA 0.003 4.334 4.340 -0.014 0.000 0.208 684 R C 1.209 177.514 176.300 0.007 0.000 1.035 684 R CA 0.675 56.805 56.100 0.050 0.000 1.004 684 R CB -0.482 29.849 30.300 0.051 0.000 0.917 684 R HN 0.252 nan 8.270 nan 0.000 0.462 685 N N 0.486 119.184 118.700 -0.003 0.000 2.336 685 N HA -0.042 4.689 4.740 -0.014 0.000 0.189 685 N C 0.099 175.590 175.510 -0.031 0.000 1.113 685 N CA 0.219 53.271 53.050 0.004 0.000 0.858 685 N CB 0.404 38.928 38.487 0.060 0.000 0.970 685 N HN 0.044 nan 8.380 nan 0.000 0.471 686 S N -1.860 113.781 115.700 -0.099 0.000 2.754 686 S HA 0.129 4.591 4.470 -0.014 0.000 0.247 686 S C 0.370 174.995 174.600 0.043 0.000 1.031 686 S CA -0.652 57.511 58.200 -0.062 0.000 1.014 686 S CB -0.720 62.314 63.200 -0.277 0.000 0.918 686 S HN 0.193 nan 8.310 nan 0.000 0.519 687 T N -0.926 113.618 114.554 -0.017 0.000 2.899 687 T HA 0.440 4.781 4.350 -0.014 0.000 0.295 687 T C 1.442 176.131 174.700 -0.019 0.000 1.033 687 T CA -0.484 61.589 62.100 -0.045 0.000 1.084 687 T CB 1.097 69.909 68.868 -0.093 0.000 0.979 687 T HN -0.026 nan 8.240 nan 0.000 0.532 688 V N 1.913 121.810 119.914 -0.027 0.000 2.407 688 V HA -0.157 3.955 4.120 -0.014 0.000 0.248 688 V C 2.652 178.713 176.094 -0.056 0.000 1.055 688 V CA 1.832 64.107 62.300 -0.040 0.000 1.049 688 V CB -0.959 30.831 31.823 -0.055 0.000 0.662 688 V HN 0.827 nan 8.190 nan 0.000 0.455 689 M N 1.049 120.600 119.600 -0.081 0.000 2.213 689 M HA -0.138 4.333 4.480 -0.014 0.000 0.263 689 M C 2.298 178.566 176.300 -0.053 0.000 1.062 689 M CA 1.979 57.224 55.300 -0.092 0.000 1.105 689 M CB -0.869 31.685 32.600 -0.075 0.000 1.385 689 M HN 0.524 nan 8.290 nan 0.000 0.417 690 S N -0.346 115.335 115.700 -0.032 0.000 2.507 690 S HA -0.070 4.392 4.470 -0.014 0.000 0.235 690 S C 1.700 176.305 174.600 0.008 0.000 0.988 690 S CA 0.710 58.903 58.200 -0.012 0.000 0.944 690 S CB -0.366 62.828 63.200 -0.010 0.000 0.762 690 S HN 0.536 nan 8.310 nan 0.000 0.526 691 R N -0.098 120.420 120.500 0.030 0.000 2.509 691 R HA 0.468 4.800 4.340 -0.014 0.000 0.300 691 R C 1.951 178.363 176.300 0.186 0.000 0.985 691 R CA 0.428 56.575 56.100 0.079 0.000 1.092 691 R CB 0.047 30.389 30.300 0.069 0.000 1.237 691 R HN 0.444 nan 8.270 nan 0.000 0.546 692 A N 1.433 124.306 122.820 0.088 0.000 1.908 692 A HA -0.242 4.070 4.320 -0.014 0.000 0.218 692 A C 1.962 179.637 177.584 0.152 0.000 1.181 692 A CA 1.602 53.659 52.037 0.032 0.000 0.627 692 A CB -0.237 18.688 19.000 -0.125 0.000 0.818 692 A HN 0.377 nan 8.150 nan 0.000 0.445 693 E N -0.023 120.232 120.200 0.093 0.000 2.147 693 E HA -0.246 4.095 4.350 -0.014 0.000 0.199 693 E C 1.378 178.041 176.600 0.104 0.000 1.005 693 E CA 1.588 58.037 56.400 0.081 0.000 0.810 693 E CB -0.122 29.607 29.700 0.048 0.000 0.736 693 E HN 0.563 nan 8.360 nan 0.000 0.460 694 N N -0.688 118.074 118.700 0.103 0.000 2.515 694 N HA -0.054 4.678 4.740 -0.014 0.000 0.185 694 N C 0.561 176.055 175.510 -0.027 0.000 1.109 694 N CA 0.411 53.469 53.050 0.014 0.000 0.903 694 N CB -0.051 38.400 38.487 -0.061 0.000 0.969 694 N HN 0.181 nan 8.380 nan 0.000 0.450 695 F N 0.989 120.897 119.950 -0.069 0.000 2.661 695 F HA 0.072 4.591 4.527 -0.013 0.000 0.298 695 F C 1.832 177.637 175.800 0.008 0.000 1.137 695 F CA 0.495 58.449 58.000 -0.077 0.000 1.454 695 F CB 0.108 39.014 39.000 -0.156 0.000 1.103 695 F HN -0.085 nan 8.300 nan 0.000 0.577 696 K N 0.005 120.507 120.400 0.169 0.000 2.281 696 K HA -0.182 4.130 4.320 -0.014 0.000 0.203 696 K C 1.687 178.351 176.600 0.108 0.000 1.046 696 K CA 1.066 57.433 56.287 0.134 0.000 0.938 696 K CB -0.127 32.430 32.500 0.095 0.000 0.737 696 K HN 0.373 nan 8.250 nan 0.000 0.458 697 Q N -0.293 119.551 119.800 0.074 0.000 2.392 697 Q HA 0.077 4.409 4.340 -0.014 0.000 0.203 697 Q C -0.031 176.015 176.000 0.077 0.000 0.917 697 Q CA 0.404 56.241 55.803 0.056 0.000 0.939 697 Q CB 0.847 29.597 28.738 0.019 0.000 1.063 697 Q HN 0.029 nan 8.270 nan 0.000 0.516 698 V N 0.773 120.751 119.914 0.106 0.000 3.040 698 V HA 0.230 4.341 4.120 -0.014 0.000 0.312 698 V C -0.914 175.325 176.094 0.242 0.000 1.115 698 V CA -0.917 61.468 62.300 0.142 0.000 0.998 698 V CB 2.550 34.413 31.823 0.066 0.000 1.042 698 V HN 0.033 nan 8.190 nan 0.000 0.433 699 E N 1.745 122.115 120.200 0.283 0.000 2.146 699 E HA 0.436 4.778 4.350 -0.014 0.000 0.282 699 E C -1.552 175.421 176.600 0.622 0.000 0.989 699 E CA -0.194 56.443 56.400 0.394 0.000 0.799 699 E CB 1.586 31.439 29.700 0.255 0.000 1.088 699 E HN 0.626 nan 8.360 nan 0.000 0.397 700 Y N 3.640 124.219 120.300 0.464 0.000 2.376 700 Y HA 0.470 5.011 4.550 -0.014 0.000 0.340 700 Y C -1.311 174.713 175.900 0.207 0.000 0.965 700 Y CA -1.189 57.135 58.100 0.373 0.000 1.078 700 Y CB 1.008 39.710 38.460 0.404 0.000 1.193 700 Y HN 0.381 nan 8.280 nan 0.000 0.452 701 L N 8.202 129.188 121.223 -0.395 0.000 2.343 701 L HA 0.465 4.797 4.340 -0.014 0.000 0.278 701 L C -1.949 174.557 176.870 -0.608 0.000 0.996 701 L CA -1.080 53.364 54.840 -0.659 0.000 0.831 701 L CB 1.500 42.778 42.059 -1.302 0.000 1.232 701 L HN 0.661 nan 8.230 nan 0.000 0.413 702 L N 6.716 127.674 121.223 -0.442 0.000 2.305 702 L HA 0.635 4.966 4.340 -0.014 0.000 0.284 702 L C -1.016 175.825 176.870 -0.050 0.000 1.013 702 L CA -0.032 54.616 54.840 -0.320 0.000 0.819 702 L CB 1.468 43.339 42.059 -0.313 0.000 1.227 702 L HN 0.433 nan 8.230 nan 0.000 0.417 703 I N 4.487 125.074 120.570 0.029 0.000 2.545 703 I HA 0.465 4.626 4.170 -0.014 0.000 0.292 703 I C -1.163 175.104 176.117 0.250 0.000 1.040 703 I CA -0.702 60.692 61.300 0.156 0.000 1.068 703 I CB 2.032 40.127 38.000 0.158 0.000 1.251 703 I HN 0.673 nan 8.210 nan 0.000 0.424 704 H N 2.332 121.588 119.070 0.310 0.000 3.086 704 H HA 0.471 5.019 4.556 -0.014 0.000 0.353 704 H C -0.294 175.342 175.328 0.513 0.000 1.134 704 H CA -0.570 55.704 56.048 0.377 0.000 1.248 704 H CB 2.004 31.927 29.762 0.268 0.000 1.878 704 H HN 0.762 nan 8.280 nan 0.000 0.527 705 G N 1.091 110.272 108.800 0.635 0.000 2.403 705 G HA2 0.191 4.143 3.960 -0.014 0.000 0.259 705 G HA3 0.191 4.143 3.960 -0.014 0.000 0.259 705 G C 1.129 176.287 174.900 0.429 0.000 1.244 705 G CA 0.151 45.552 45.100 0.502 0.000 0.849 705 G HN 0.750 nan 8.290 nan 0.000 0.532 706 T N -0.722 113.919 114.554 0.145 0.000 3.035 706 T HA 0.130 4.472 4.350 -0.014 0.000 0.268 706 T C 1.658 176.311 174.700 -0.077 0.000 1.109 706 T CA 1.161 63.144 62.100 -0.194 0.000 1.119 706 T CB 0.224 68.907 68.868 -0.309 0.000 0.900 706 T HN 0.671 nan 8.240 nan 0.000 0.503 707 A N 0.961 123.805 122.820 0.041 0.000 2.610 707 A HA 0.317 4.628 4.320 -0.014 0.000 0.286 707 A C 0.369 177.869 177.584 -0.139 0.000 1.306 707 A CA -0.518 51.495 52.037 -0.041 0.000 0.942 707 A CB -0.254 18.999 19.000 0.421 0.000 1.112 707 A HN 0.346 nan 8.150 nan 0.000 0.527 708 D N 1.677 122.033 120.400 -0.074 0.000 2.349 708 D HA -0.012 4.620 4.640 -0.014 0.000 0.266 708 D C 0.391 176.570 176.300 -0.203 0.000 1.293 708 D CA 0.226 54.238 54.000 0.021 0.000 0.926 708 D CB 0.652 41.595 40.800 0.239 0.000 1.090 708 D HN 0.577 nan 8.370 nan 0.000 0.502 709 D N 2.212 122.551 120.400 -0.103 0.000 2.348 709 D HA -0.129 4.503 4.640 -0.014 0.000 0.211 709 D C 0.935 177.016 176.300 -0.364 0.000 0.998 709 D CA -0.072 53.828 54.000 -0.167 0.000 0.873 709 D CB 0.478 41.191 40.800 -0.146 0.000 0.925 709 D HN 0.225 nan 8.370 nan 0.000 0.524 710 N N 0.929 119.502 118.700 -0.212 0.000 2.426 710 N HA -0.050 4.682 4.740 -0.014 0.000 0.205 710 N C -0.072 175.217 175.510 -0.369 0.000 1.040 710 N CA 0.466 53.486 53.050 -0.050 0.000 0.990 710 N CB 0.376 38.937 38.487 0.124 0.000 1.215 710 N HN -0.117 nan 8.380 nan 0.000 0.491 711 V N 3.905 123.522 119.914 -0.494 0.000 2.334 711 V HA 0.211 4.323 4.120 -0.014 0.000 0.267 711 V C -0.274 175.696 176.094 -0.207 0.000 1.040 711 V CA -0.627 61.460 62.300 -0.354 0.000 0.866 711 V CB 0.186 31.774 31.823 -0.393 0.000 1.019 711 V HN 0.311 nan 8.190 nan 0.000 0.468 712 H N 3.572 122.568 119.070 -0.123 0.000 2.707 712 H HA 0.070 4.617 4.556 -0.014 0.000 0.359 712 H C 0.803 175.953 175.328 -0.297 0.000 1.113 712 H CA -0.237 55.677 56.048 -0.224 0.000 1.422 712 H CB 0.969 30.526 29.762 -0.342 0.000 1.443 712 H HN 0.649 nan 8.280 nan 0.000 0.591 713 F N 2.040 121.773 119.950 -0.362 0.000 2.202 713 F HA -0.260 4.259 4.527 -0.013 0.000 0.301 713 F C 2.608 178.125 175.800 -0.472 0.000 1.082 713 F CA 1.646 59.249 58.000 -0.661 0.000 1.313 713 F CB -0.093 38.709 39.000 -0.331 0.000 1.024 713 F HN 0.637 nan 8.300 nan 0.000 0.495 714 Q N 0.149 119.795 119.800 -0.258 0.000 2.207 714 Q HA -0.352 3.979 4.340 -0.014 0.000 0.215 714 Q C 2.089 177.829 176.000 -0.434 0.000 1.006 714 Q CA 2.616 58.206 55.803 -0.356 0.000 0.903 714 Q CB -0.344 28.147 28.738 -0.412 0.000 0.947 714 Q HN 0.600 nan 8.270 nan 0.000 0.414 715 Q N -0.700 118.884 119.800 -0.360 0.000 2.079 715 Q HA -0.088 4.244 4.340 -0.014 0.000 0.200 715 Q C 2.257 178.139 176.000 -0.198 0.000 0.974 715 Q CA 1.553 57.264 55.803 -0.152 0.000 0.840 715 Q CB -0.016 28.702 28.738 -0.033 0.000 0.898 715 Q HN 0.313 nan 8.270 nan 0.000 0.430 716 S N 0.793 116.266 115.700 -0.378 0.000 2.414 716 S HA -0.016 4.446 4.470 -0.014 0.000 0.227 716 S C 2.057 176.398 174.600 -0.431 0.000 1.022 716 S CA 0.704 58.696 58.200 -0.347 0.000 0.958 716 S CB -0.096 62.912 63.200 -0.320 0.000 0.797 716 S HN 0.459 nan 8.310 nan 0.000 0.493 717 A N 1.396 123.842 122.820 -0.623 0.000 1.940 717 A HA -0.170 4.142 4.320 -0.014 0.000 0.219 717 A C 2.127 179.594 177.584 -0.195 0.000 1.176 717 A CA 1.288 53.099 52.037 -0.376 0.000 0.631 717 A CB -0.410 18.412 19.000 -0.297 0.000 0.814 717 A HN 0.389 nan 8.150 nan 0.000 0.446 718 Q N -0.693 119.003 119.800 -0.174 0.000 2.212 718 Q HA 0.048 4.380 4.340 -0.014 0.000 0.199 718 Q C 2.148 178.092 176.000 -0.094 0.000 0.950 718 Q CA 0.880 56.637 55.803 -0.077 0.000 0.863 718 Q CB -0.281 28.484 28.738 0.044 0.000 0.944 718 Q HN 0.779 nan 8.270 nan 0.000 0.465 719 I N 1.356 121.846 120.570 -0.133 0.000 2.163 719 I HA -0.311 3.850 4.170 -0.014 0.000 0.243 719 I C 2.584 178.539 176.117 -0.269 0.000 1.085 719 I CA 1.619 62.800 61.300 -0.198 0.000 1.347 719 I CB -0.465 37.429 38.000 -0.177 0.000 1.044 719 I HN 0.185 nan 8.210 nan 0.000 0.408 720 S N 0.799 116.369 115.700 -0.217 0.000 2.368 720 S HA -0.278 4.184 4.470 -0.014 0.000 0.225 720 S C 2.036 176.595 174.600 -0.068 0.000 1.030 720 S CA 1.476 59.574 58.200 -0.170 0.000 0.999 720 S CB -0.451 62.810 63.200 0.102 0.000 0.844 720 S HN 0.376 nan 8.310 nan 0.000 0.459 721 K N 1.715 122.084 120.400 -0.051 0.000 2.057 721 K HA 0.028 4.340 4.320 -0.014 0.000 0.207 721 K C 2.323 178.897 176.600 -0.042 0.000 1.049 721 K CA 1.157 57.432 56.287 -0.019 0.000 0.931 721 K CB -0.720 31.767 32.500 -0.023 0.000 0.714 721 K HN 0.445 nan 8.250 nan 0.000 0.440 722 A N 1.052 123.817 122.820 -0.091 0.000 1.908 722 A HA -0.147 4.164 4.320 -0.014 0.000 0.218 722 A C 2.113 179.623 177.584 -0.124 0.000 1.181 722 A CA 1.479 53.454 52.037 -0.103 0.000 0.627 722 A CB -0.667 18.253 19.000 -0.133 0.000 0.818 722 A HN 0.330 nan 8.150 nan 0.000 0.445 723 L N -0.740 120.353 121.223 -0.217 0.000 2.056 723 L HA -0.143 4.188 4.340 -0.014 0.000 0.207 723 L C 2.538 179.409 176.870 0.002 0.000 1.078 723 L CA 0.926 55.635 54.840 -0.219 0.000 0.749 723 L CB -0.506 41.209 42.059 -0.573 0.000 0.901 723 L HN 0.245 nan 8.230 nan 0.000 0.433 724 V N -0.166 119.792 119.914 0.075 0.000 2.295 724 V HA -0.302 3.810 4.120 -0.014 0.000 0.246 724 V C 1.999 178.134 176.094 0.067 0.000 1.049 724 V CA 1.961 64.340 62.300 0.132 0.000 1.024 724 V CB -0.495 31.408 31.823 0.134 0.000 0.648 724 V HN 0.437 nan 8.190 nan 0.000 0.447 725 D N -0.495 119.924 120.400 0.031 0.000 2.263 725 D HA -0.094 4.538 4.640 -0.014 0.000 0.208 725 D C 1.835 178.148 176.300 0.022 0.000 0.971 725 D CA 0.903 54.915 54.000 0.021 0.000 0.867 725 D CB 0.056 40.860 40.800 0.006 0.000 0.929 725 D HN 0.342 nan 8.370 nan 0.000 0.492 726 V N -0.737 119.190 119.914 0.020 0.000 3.590 726 V HA 0.215 4.327 4.120 -0.014 0.000 0.265 726 V C 1.314 177.436 176.094 0.047 0.000 1.239 726 V CA 0.797 63.113 62.300 0.026 0.000 1.117 726 V CB 0.400 32.232 31.823 0.014 0.000 0.818 726 V HN 0.357 nan 8.190 nan 0.000 0.451 727 G N 0.741 109.579 108.800 0.064 0.000 2.203 727 G HA2 -0.178 3.774 3.960 -0.014 0.000 0.231 727 G HA3 -0.178 3.774 3.960 -0.014 0.000 0.231 727 G C -0.094 174.871 174.900 0.108 0.000 1.058 727 G CA 0.082 45.230 45.100 0.081 0.000 0.781 727 G HN 0.366 nan 8.290 nan 0.000 0.496 728 V N 0.578 120.575 119.914 0.139 0.000 2.394 728 V HA 0.509 4.621 4.120 -0.014 0.000 0.282 728 V C 0.353 176.636 176.094 0.315 0.000 1.031 728 V CA -0.713 61.700 62.300 0.189 0.000 0.881 728 V CB 1.751 33.662 31.823 0.148 0.000 0.982 728 V HN 0.382 nan 8.190 nan 0.000 0.451 729 D N 3.877 124.445 120.400 0.279 0.000 2.304 729 D HA 0.620 5.252 4.640 -0.014 0.000 0.247 729 D C -0.606 175.958 176.300 0.440 0.000 1.089 729 D CA 0.210 54.377 54.000 0.279 0.000 0.910 729 D CB 0.976 41.864 40.800 0.147 0.000 1.199 729 D HN 0.361 nan 8.370 nan 0.000 0.426 730 F N -0.861 119.177 119.950 0.146 0.000 2.773 730 F HA 0.423 4.942 4.527 -0.014 0.000 0.314 730 F C -1.445 174.422 175.800 0.113 0.000 1.160 730 F CA -1.074 57.035 58.000 0.183 0.000 0.920 730 F CB 0.702 39.843 39.000 0.235 0.000 1.323 730 F HN 0.168 nan 8.300 nan 0.000 0.457 731 Q N 1.283 121.147 119.800 0.106 0.000 2.266 731 Q HA 0.847 5.179 4.340 -0.014 0.000 0.261 731 Q C -1.005 174.979 176.000 -0.026 0.000 0.985 731 Q CA -1.222 54.550 55.803 -0.052 0.000 0.873 731 Q CB 2.397 31.162 28.738 0.044 0.000 1.306 731 Q HN 0.995 nan 8.270 nan 0.000 0.447 732 A N 1.795 124.579 122.820 -0.061 0.000 2.527 732 A HA 0.866 5.178 4.320 -0.014 0.000 0.293 732 A C -1.451 176.118 177.584 -0.025 0.000 1.117 732 A CA -0.617 51.436 52.037 0.027 0.000 0.723 732 A CB 2.020 21.098 19.000 0.130 0.000 1.313 732 A HN 0.664 nan 8.150 nan 0.000 0.411 733 M N 1.055 120.641 119.600 -0.022 0.000 2.294 733 M HA 0.578 5.049 4.480 -0.014 0.000 0.280 733 M C -1.938 174.304 176.300 -0.098 0.000 1.085 733 M CA -0.374 54.779 55.300 -0.245 0.000 0.969 733 M CB 1.154 33.545 32.600 -0.348 0.000 1.770 733 M HN 0.973 nan 8.290 nan 0.000 0.485 734 W N 4.241 125.445 121.300 -0.159 0.000 2.448 734 W HA 0.765 5.416 4.660 -0.016 0.000 0.339 734 W C -2.031 174.279 176.519 -0.349 0.000 1.124 734 W CA -0.783 56.532 57.345 -0.050 0.000 1.262 734 W CB 0.344 29.794 29.460 -0.016 0.000 1.251 734 W HN 0.610 nan 8.180 nan 0.000 0.597 735 Y N 2.272 122.728 120.300 0.260 0.000 2.376 735 Y HA 0.291 4.833 4.550 -0.013 0.000 0.326 735 Y C 0.457 176.470 175.900 0.187 0.000 0.970 735 Y CA -1.145 57.019 58.100 0.107 0.000 1.248 735 Y CB 1.329 39.821 38.460 0.054 0.000 1.117 735 Y HN 0.426 nan 8.280 nan 0.000 0.476 736 T N 4.642 119.375 114.554 0.298 0.000 2.831 736 T HA -0.021 4.320 4.350 -0.014 0.000 0.291 736 T C 0.164 174.925 174.700 0.101 0.000 0.981 736 T CA 0.796 62.992 62.100 0.161 0.000 1.174 736 T CB -0.164 68.738 68.868 0.057 0.000 0.929 736 T HN 0.706 nan 8.240 nan 0.000 0.532 737 D N 0.939 121.376 120.400 0.061 0.000 3.079 737 D HA -0.120 4.512 4.640 -0.014 0.000 0.214 737 D C 0.275 176.689 176.300 0.191 0.000 1.145 737 D CA 1.096 55.081 54.000 -0.026 0.000 0.958 737 D CB -0.376 40.231 40.800 -0.323 0.000 1.117 737 D HN 0.551 nan 8.370 nan 0.000 0.416 738 E N 0.732 121.060 120.200 0.214 0.000 2.283 738 E HA 0.366 4.708 4.350 -0.014 0.000 0.271 738 E C 0.749 177.510 176.600 0.269 0.000 1.031 738 E CA -0.291 56.250 56.400 0.235 0.000 0.868 738 E CB 1.314 31.139 29.700 0.208 0.000 1.094 738 E HN 0.334 nan 8.360 nan 0.000 0.401 739 D N -0.474 120.095 120.400 0.281 0.000 2.538 739 D HA 0.010 4.641 4.640 -0.014 0.000 0.262 739 D C 1.085 177.601 176.300 0.359 0.000 1.186 739 D CA -0.134 54.053 54.000 0.312 0.000 1.090 739 D CB -0.232 40.779 40.800 0.352 0.000 1.187 739 D HN 0.347 nan 8.370 nan 0.000 0.614 740 H N -1.279 117.950 119.070 0.266 0.000 2.423 740 H HA 0.126 4.673 4.556 -0.014 0.000 0.297 740 H C 1.927 177.513 175.328 0.430 0.000 1.075 740 H CA 2.046 58.279 56.048 0.308 0.000 1.342 740 H CB -0.509 29.438 29.762 0.309 0.000 1.395 740 H HN 0.509 nan 8.280 nan 0.000 0.530 741 G N -0.103 108.893 108.800 0.327 0.000 2.572 741 G HA2 -0.012 3.940 3.960 -0.014 0.000 0.216 741 G HA3 -0.012 3.940 3.960 -0.014 0.000 0.216 741 G C 0.604 175.556 174.900 0.086 0.000 1.133 741 G CA 0.287 45.475 45.100 0.147 0.000 0.791 741 G HN 0.509 nan 8.290 nan 0.000 0.538 742 I N -0.011 120.637 120.570 0.129 0.000 5.026 742 I HA -0.316 3.846 4.170 -0.014 0.000 0.126 742 I C 1.368 177.499 176.117 0.023 0.000 1.267 742 I CA 0.170 61.490 61.300 0.033 0.000 2.647 742 I CB -1.082 36.868 38.000 -0.084 0.000 2.149 742 I HN 0.241 nan 8.210 nan 0.000 0.322 743 A N 2.084 124.948 122.820 0.074 0.000 2.469 743 A HA 0.303 4.615 4.320 -0.014 0.000 0.245 743 A C 1.061 178.681 177.584 0.060 0.000 1.221 743 A CA 0.544 52.628 52.037 0.079 0.000 0.946 743 A CB 0.293 19.336 19.000 0.072 0.000 1.049 743 A HN 0.669 nan 8.150 nan 0.000 0.529 744 S N 0.036 115.775 115.700 0.065 0.000 2.560 744 S HA 0.145 4.607 4.470 -0.014 0.000 0.284 744 S C 1.234 175.862 174.600 0.045 0.000 1.327 744 S CA 0.470 58.703 58.200 0.055 0.000 1.055 744 S CB 1.085 64.325 63.200 0.066 0.000 0.868 744 S HN 0.589 nan 8.310 nan 0.000 0.506 745 S N 2.874 118.586 115.700 0.020 0.000 2.365 745 S HA -0.161 4.301 4.470 -0.014 0.000 0.225 745 S C 1.861 176.488 174.600 0.045 0.000 1.039 745 S CA 2.177 60.380 58.200 0.005 0.000 1.033 745 S CB -1.191 61.999 63.200 -0.017 0.000 0.887 745 S HN 0.893 nan 8.310 nan 0.000 0.447 746 T N 1.236 115.814 114.554 0.039 0.000 2.777 746 T HA 0.141 4.482 4.350 -0.014 0.000 0.266 746 T C 1.995 176.725 174.700 0.049 0.000 1.040 746 T CA 1.272 63.399 62.100 0.046 0.000 1.141 746 T CB -0.561 68.329 68.868 0.036 0.000 0.868 746 T HN 0.543 nan 8.240 nan 0.000 0.444 747 A N 0.717 123.543 122.820 0.010 0.000 1.929 747 A HA -0.113 4.198 4.320 -0.014 0.000 0.216 747 A C 2.092 179.586 177.584 -0.150 0.000 1.176 747 A CA 1.417 53.386 52.037 -0.113 0.000 0.628 747 A CB -0.843 18.058 19.000 -0.165 0.000 0.816 747 A HN 0.654 nan 8.150 nan 0.000 0.444 748 H N -0.211 118.792 119.070 -0.112 0.000 2.319 748 H HA -0.171 4.377 4.556 -0.014 0.000 0.299 748 H C 2.069 177.397 175.328 0.001 0.000 1.092 748 H CA 2.312 58.326 56.048 -0.057 0.000 1.302 748 H CB 0.013 29.752 29.762 -0.038 0.000 1.373 748 H HN 0.528 nan 8.280 nan 0.000 0.497 749 Q N -0.766 119.073 119.800 0.064 0.000 2.079 749 Q HA -0.128 4.203 4.340 -0.014 0.000 0.200 749 Q C 2.508 178.494 176.000 -0.023 0.000 0.974 749 Q CA 1.376 57.186 55.803 0.012 0.000 0.840 749 Q CB -0.236 28.523 28.738 0.036 0.000 0.898 749 Q HN 0.542 nan 8.270 nan 0.000 0.430 750 H N -0.028 118.995 119.070 -0.078 0.000 2.357 750 H HA -0.072 4.476 4.556 -0.013 0.000 0.301 750 H C 2.042 177.335 175.328 -0.058 0.000 1.082 750 H CA 1.464 57.493 56.048 -0.032 0.000 1.342 750 H CB -0.027 29.768 29.762 0.055 0.000 1.389 750 H HN 0.324 nan 8.280 nan 0.000 0.511 751 I N 0.077 120.582 120.570 -0.109 0.000 2.226 751 I HA -0.323 3.839 4.170 -0.014 0.000 0.245 751 I C 1.824 177.692 176.117 -0.415 0.000 1.100 751 I CA 1.295 62.451 61.300 -0.240 0.000 1.374 751 I CB -0.260 37.407 38.000 -0.555 0.000 1.057 751 I HN 0.158 nan 8.210 nan 0.000 0.413 752 Y N 0.680 120.718 120.300 -0.436 0.000 2.263 752 Y HA -0.204 4.338 4.550 -0.014 0.000 0.292 752 Y C 2.676 178.348 175.900 -0.381 0.000 1.130 752 Y CA 1.796 59.532 58.100 -0.605 0.000 1.179 752 Y CB -0.615 37.486 38.460 -0.597 0.000 0.998 752 Y HN 0.141 nan 8.280 nan 0.000 0.532 753 T N -1.390 113.063 114.554 -0.168 0.000 2.684 753 T HA -0.288 4.053 4.350 -0.014 0.000 0.267 753 T C 1.531 176.019 174.700 -0.352 0.000 1.036 753 T CA 2.076 64.009 62.100 -0.278 0.000 1.148 753 T CB -0.513 68.183 68.868 -0.287 0.000 0.863 753 T HN 0.409 nan 8.240 nan 0.000 0.436 754 H N 0.726 119.602 119.070 -0.323 0.000 2.357 754 H HA 0.150 4.698 4.556 -0.013 0.000 0.301 754 H C 2.151 177.441 175.328 -0.063 0.000 1.082 754 H CA 1.419 57.366 56.048 -0.169 0.000 1.342 754 H CB -0.296 29.402 29.762 -0.105 0.000 1.389 754 H HN 0.276 nan 8.280 nan 0.000 0.511 755 M N -0.890 118.624 119.600 -0.144 0.000 2.229 755 M HA -0.135 4.336 4.480 -0.014 0.000 0.264 755 M C 2.298 178.717 176.300 0.199 0.000 1.063 755 M CA 1.345 56.579 55.300 -0.111 0.000 1.114 755 M CB 0.085 32.377 32.600 -0.513 0.000 1.387 755 M HN 0.189 nan 8.290 nan 0.000 0.420 756 S N -0.635 115.202 115.700 0.227 0.000 2.368 756 S HA -0.136 4.325 4.470 -0.014 0.000 0.224 756 S C 1.560 176.299 174.600 0.233 0.000 1.029 756 S CA 1.075 59.507 58.200 0.386 0.000 0.988 756 S CB -0.582 62.843 63.200 0.374 0.000 0.838 756 S HN 0.568 nan 8.310 nan 0.000 0.462 757 H N -0.581 118.560 119.070 0.117 0.000 2.319 757 H HA -0.104 4.443 4.556 -0.015 0.000 0.299 757 H C 1.992 177.334 175.328 0.022 0.000 1.092 757 H CA 1.646 57.721 56.048 0.044 0.000 1.302 757 H CB -0.193 29.561 29.762 -0.013 0.000 1.373 757 H HN 0.389 nan 8.280 nan 0.000 0.497 758 F N 0.960 120.904 119.950 -0.010 0.000 2.075 758 F HA -0.220 4.299 4.527 -0.014 0.000 0.297 758 F C 2.190 177.949 175.800 -0.069 0.000 1.113 758 F CA 0.901 58.859 58.000 -0.070 0.000 1.218 758 F CB -0.145 38.782 39.000 -0.123 0.000 0.984 758 F HN 0.029 nan 8.300 nan 0.000 0.472 759 I N 1.039 121.643 120.570 0.056 0.000 2.163 759 I HA -0.306 3.856 4.170 -0.014 0.000 0.243 759 I C 2.267 178.191 176.117 -0.320 0.000 1.085 759 I CA 1.659 62.829 61.300 -0.218 0.000 1.347 759 I CB -1.246 36.715 38.000 -0.066 0.000 1.044 759 I HN 0.222 nan 8.210 nan 0.000 0.408 760 K N -0.042 120.313 120.400 -0.074 0.000 2.097 760 K HA -0.249 4.063 4.320 -0.014 0.000 0.206 760 K C 2.042 178.626 176.600 -0.028 0.000 1.049 760 K CA 1.524 57.814 56.287 0.006 0.000 0.933 760 K CB -0.210 32.350 32.500 0.100 0.000 0.717 760 K HN 0.365 nan 8.250 nan 0.000 0.442 761 Q N 0.693 120.438 119.800 -0.092 0.000 2.079 761 Q HA -0.198 4.133 4.340 -0.014 0.000 0.200 761 Q C 2.262 178.174 176.000 -0.147 0.000 0.974 761 Q CA 1.705 57.443 55.803 -0.109 0.000 0.840 761 Q CB -0.266 28.391 28.738 -0.136 0.000 0.898 761 Q HN 0.419 nan 8.270 nan 0.000 0.430 762 c N -0.242 118.172 118.600 -0.310 0.000 2.413 762 c HA -0.076 4.485 4.570 -0.014 0.000 0.277 762 c C 1.940 176.067 174.090 0.062 0.000 1.265 762 c CA 0.566 56.735 56.329 -0.266 0.000 1.752 762 c CB -1.125 41.064 42.510 -0.536 0.000 1.998 762 c HN 0.690 nan 8.230 nan 0.000 0.489 763 F N 0.892 120.810 119.950 -0.052 0.000 2.693 763 F HA 0.142 4.661 4.527 -0.013 0.000 0.303 763 F C 1.352 177.140 175.800 -0.020 0.000 1.097 763 F CA 0.048 58.036 58.000 -0.020 0.000 1.330 763 F CB -0.102 38.895 39.000 -0.005 0.000 1.067 763 F HN 0.135 nan 8.300 nan 0.000 0.565 764 S N 1.634 117.418 115.700 0.140 0.000 3.550 764 S HA -0.216 4.245 4.470 -0.014 0.000 0.372 764 S C -0.286 174.358 174.600 0.074 0.000 0.966 764 S CA 0.191 58.435 58.200 0.073 0.000 1.229 764 S CB -2.079 61.152 63.200 0.052 0.000 0.917 764 S HN 0.337 nan 8.310 nan 0.000 0.496 765 L N 1.549 122.825 121.223 0.088 0.000 2.297 765 L HA 0.379 4.710 4.340 -0.014 0.000 0.277 765 L C -1.385 175.523 176.870 0.063 0.000 1.040 765 L CA -2.060 52.826 54.840 0.078 0.000 0.867 765 L CB 0.556 42.678 42.059 0.106 0.000 1.244 765 L HN 0.108 nan 8.230 nan 0.000 0.433 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.126 63.100 0.042 0.000 0.800 766 P CB 0.000 31.718 31.700 0.031 0.000 0.726