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 3a9v_1_A DATA FIRST_RESID 5 DATA SEQUENCE EEFIFRSKLP DIYIPKNLPL HSYVLENLSN HSSKPCLING ANGDVYTYAD DATA SEQUENCE VELTARRVAS GLNKIGIQQG DVIMLFLPSS PEFVLAFLGA SHRGAIITAA DATA SEQUENCE NPFSTPAELA KHAKASRAKL LITQACYYEK VKDFARESDV KVMCVDSAPD DATA SEQUENCE GCLHFSELTQ ADENEAPQVD ISPDDVVALP YSSGTTGLPK GVMLTHKGLI DATA SEQUENCE TSVAQQVDGD NPNLYFHSED VILCVLPMFH IYALNSIMLC GLRVGAPILI DATA SEQUENCE MPKFEIGSLL GLIEKYKVSI APVVPPVMMS IAKSPDLDKH DLSSLRMIKS DATA SEQUENCE GGAPLGKELE DTVRAKFPQA RLGQGYGMTE AGPVLAMCLA FAKEPFDIKP DATA SEQUENCE GACGTVVRNA EMKIVDPETG ASLPRNQPGE ICIRGDQIMK GYLNDPEATS DATA SEQUENCE RTIDKEGWLH TGDIGYIDDD DELFIVDRLK ELIKYKGFQV APAELEALLI DATA SEQUENCE AHPEISDAAV VGLKDEDAGE VPVAFVVKSE KSQATEDEIK QYISKQVIFY DATA SEQUENCE KRIKRVFFIE AIPKAPSGKI LRKNLKEK 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.582 176.600 -0.030 0.000 1.382 5 E CA 0.000 56.428 56.400 0.046 0.000 0.976 5 E CB 0.000 29.823 29.700 0.205 0.000 0.812 6 E N -0.022 120.104 120.200 -0.124 0.000 2.083 6 E HA 0.116 4.452 4.350 -0.024 0.000 0.193 6 E C -0.239 176.131 176.600 -0.384 0.000 0.950 6 E CA 0.361 56.585 56.400 -0.294 0.000 0.849 6 E CB 0.426 29.860 29.700 -0.442 0.000 0.827 6 E HN 0.004 nan 8.360 nan 0.000 0.465 7 F N 1.764 121.644 119.950 -0.116 0.000 2.375 7 F HA 0.373 4.886 4.527 -0.024 0.000 0.362 7 F C -0.019 175.612 175.800 -0.281 0.000 1.129 7 F CA -0.115 57.751 58.000 -0.224 0.000 1.154 7 F CB 0.586 39.488 39.000 -0.164 0.000 1.205 7 F HN -0.021 nan 8.300 nan 0.000 0.513 8 I N 4.302 124.767 120.570 -0.175 0.000 2.406 8 I HA 0.338 4.494 4.170 -0.024 0.000 0.290 8 I C -0.722 175.260 176.117 -0.225 0.000 0.999 8 I CA -0.658 60.597 61.300 -0.076 0.000 1.124 8 I CB 1.386 39.443 38.000 0.094 0.000 1.289 8 I HN 0.263 nan 8.210 nan 0.000 0.441 9 F N 5.272 125.299 119.950 0.129 0.000 2.432 9 F HA 0.666 5.178 4.527 -0.025 0.000 0.329 9 F C 0.520 176.372 175.800 0.087 0.000 1.076 9 F CA -0.433 57.623 58.000 0.094 0.000 1.018 9 F CB 1.437 40.476 39.000 0.065 0.000 1.201 9 F HN 0.454 nan 8.300 nan 0.000 0.489 10 R N -0.490 120.161 120.500 0.252 0.000 2.846 10 R HA 0.677 5.003 4.340 -0.024 0.000 0.263 10 R C -0.964 175.390 176.300 0.090 0.000 1.080 10 R CA -1.045 55.139 56.100 0.141 0.000 0.961 10 R CB 1.070 31.424 30.300 0.091 0.000 1.231 10 R HN 0.482 nan 8.270 nan 0.000 0.465 11 S N -0.667 115.055 115.700 0.035 0.000 2.593 11 S HA 0.146 4.601 4.470 -0.024 0.000 0.269 11 S C 0.255 174.824 174.600 -0.052 0.000 1.334 11 S CA -0.499 57.684 58.200 -0.028 0.000 1.015 11 S CB 0.628 63.808 63.200 -0.033 0.000 0.912 11 S HN 0.640 nan 8.310 nan 0.000 0.541 12 K N 1.566 121.867 120.400 -0.164 0.000 2.459 12 K HA 0.213 4.519 4.320 -0.024 0.000 0.193 12 K C -0.077 176.470 176.600 -0.088 0.000 1.030 12 K CA 0.286 56.463 56.287 -0.183 0.000 1.026 12 K CB -0.101 32.114 32.500 -0.474 0.000 0.809 12 K HN 0.508 nan 8.250 nan 0.000 0.504 13 L N 2.757 123.935 121.223 -0.075 0.000 2.357 13 L HA 0.261 4.586 4.340 -0.024 0.000 0.273 13 L C -2.026 174.874 176.870 0.050 0.000 1.080 13 L CA -2.279 52.587 54.840 0.043 0.000 0.803 13 L CB 0.647 42.733 42.059 0.046 0.000 1.174 13 L HN -0.071 nan 8.230 nan 0.000 0.443 14 P HA 0.087 nan 4.420 nan 0.000 0.274 14 P C -1.121 176.212 177.300 0.055 0.000 1.231 14 P CA -0.531 62.606 63.100 0.062 0.000 0.790 14 P CB 0.819 32.561 31.700 0.069 0.000 0.951 15 D N 0.782 121.209 120.400 0.046 0.000 2.382 15 D HA 0.214 4.840 4.640 -0.024 0.000 0.240 15 D C 0.612 176.945 176.300 0.055 0.000 1.146 15 D CA 0.323 54.347 54.000 0.040 0.000 0.897 15 D CB 0.269 41.086 40.800 0.029 0.000 1.197 15 D HN 0.306 nan 8.370 nan 0.000 0.432 16 I N -1.562 119.039 120.570 0.051 0.000 3.170 16 I HA 0.460 4.616 4.170 -0.024 0.000 0.312 16 I C -0.612 175.555 176.117 0.083 0.000 1.085 16 I CA -1.319 60.029 61.300 0.080 0.000 0.999 16 I CB 1.328 39.376 38.000 0.080 0.000 1.233 16 I HN 0.120 nan 8.210 nan 0.000 0.467 17 Y N 3.222 123.537 120.300 0.026 0.000 2.377 17 Y HA 0.638 5.172 4.550 -0.027 0.000 0.330 17 Y C -0.862 175.046 175.900 0.013 0.000 1.108 17 Y CA -0.525 57.585 58.100 0.017 0.000 1.308 17 Y CB 0.559 39.033 38.460 0.024 0.000 1.216 17 Y HN 0.390 nan 8.280 nan 0.000 0.518 18 I N 9.160 129.170 120.570 -0.933 0.000 2.512 18 I HA 0.292 4.448 4.170 -0.024 0.000 0.287 18 I C -2.384 173.200 176.117 -0.889 0.000 1.069 18 I CA -2.300 58.550 61.300 -0.748 0.000 1.056 18 I CB 2.268 40.041 38.000 -0.378 0.000 1.229 18 I HN 0.529 nan 8.210 nan 0.000 0.429 19 P HA 0.107 nan 4.420 nan 0.000 0.268 19 P C -0.645 176.507 177.300 -0.247 0.000 1.204 19 P CA -0.234 62.656 63.100 -0.350 0.000 0.768 19 P CB 1.008 32.632 31.700 -0.127 0.000 0.842 20 K N 2.146 122.468 120.400 -0.130 0.000 2.676 20 K HA 0.136 4.442 4.320 -0.024 0.000 0.205 20 K C 0.209 176.773 176.600 -0.060 0.000 1.084 20 K CA -0.093 56.133 56.287 -0.102 0.000 1.057 20 K CB 0.035 32.484 32.500 -0.085 0.000 0.791 20 K HN 0.427 nan 8.250 nan 0.000 0.484 21 N N -0.154 118.517 118.700 -0.048 0.000 2.453 21 N HA 0.133 4.858 4.740 -0.024 0.000 0.267 21 N C -1.130 174.353 175.510 -0.045 0.000 1.482 21 N CA -0.442 52.585 53.050 -0.038 0.000 0.841 21 N CB 0.171 38.651 38.487 -0.012 0.000 1.408 21 N HN -0.044 nan 8.380 nan 0.000 0.490 22 L N 1.075 122.262 121.223 -0.061 0.000 2.401 22 L HA 0.756 5.082 4.340 -0.024 0.000 0.266 22 L C -2.635 174.181 176.870 -0.090 0.000 0.991 22 L CA -1.810 52.992 54.840 -0.063 0.000 0.818 22 L CB 2.220 44.272 42.059 -0.012 0.000 1.321 22 L HN -0.015 nan 8.230 nan 0.000 0.413 23 P HA 0.095 nan 4.420 nan 0.000 0.277 23 P C 0.677 177.936 177.300 -0.068 0.000 1.240 23 P CA -0.509 62.483 63.100 -0.179 0.000 0.798 23 P CB 1.130 32.571 31.700 -0.432 0.000 0.979 24 L N 3.020 124.399 121.223 0.260 0.000 2.051 24 L HA -0.242 4.084 4.340 -0.024 0.000 0.214 24 L C 2.669 179.625 176.870 0.144 0.000 1.076 24 L CA 2.108 57.059 54.840 0.185 0.000 0.758 24 L CB -1.498 40.633 42.059 0.120 0.000 0.890 24 L HN 0.514 nan 8.230 nan 0.000 0.433 25 H N -2.825 116.294 119.070 0.082 0.000 2.357 25 H HA -0.007 4.536 4.556 -0.022 0.000 0.301 25 H C 2.005 177.349 175.328 0.028 0.000 1.082 25 H CA 1.299 57.358 56.048 0.019 0.000 1.342 25 H CB -0.913 28.732 29.762 -0.194 0.000 1.389 25 H HN 0.365 nan 8.280 nan 0.000 0.511 26 S N 0.875 116.342 115.700 -0.388 0.000 2.382 26 S HA -0.159 4.296 4.470 -0.024 0.000 0.228 26 S C 1.958 176.555 174.600 -0.005 0.000 1.027 26 S CA 1.247 59.358 58.200 -0.148 0.000 0.991 26 S CB -0.564 62.509 63.200 -0.213 0.000 0.823 26 S HN 0.548 nan 8.310 nan 0.000 0.469 27 Y N 2.901 123.154 120.300 -0.078 0.000 2.133 27 Y HA -0.146 4.395 4.550 -0.016 0.000 0.287 27 Y C 2.369 178.283 175.900 0.023 0.000 1.134 27 Y CA 1.503 59.591 58.100 -0.021 0.000 1.133 27 Y CB -0.766 37.677 38.460 -0.028 0.000 0.987 27 Y HN 0.108 nan 8.280 nan 0.000 0.502 28 V N -0.666 119.127 119.914 -0.201 0.000 2.594 28 V HA -0.174 3.932 4.120 -0.024 0.000 0.253 28 V C 1.542 177.569 176.094 -0.111 0.000 1.069 28 V CA 1.958 64.110 62.300 -0.246 0.000 1.082 28 V CB -0.904 30.937 31.823 0.029 0.000 0.680 28 V HN 0.414 nan 8.190 nan 0.000 0.469 29 L N 0.439 121.660 121.223 -0.004 0.000 2.872 29 L HA 0.318 4.643 4.340 -0.024 0.000 0.245 29 L C 2.108 178.987 176.870 0.014 0.000 1.211 29 L CA 0.433 55.317 54.840 0.072 0.000 1.013 29 L CB -0.091 42.065 42.059 0.161 0.000 1.326 29 L HN 0.419 nan 8.230 nan 0.000 0.525 30 E N 1.190 121.354 120.200 -0.060 0.000 2.077 30 E HA -0.183 4.152 4.350 -0.024 0.000 0.193 30 E C 0.749 177.320 176.600 -0.048 0.000 0.989 30 E CA 1.134 57.508 56.400 -0.044 0.000 0.800 30 E CB 0.304 29.971 29.700 -0.056 0.000 0.746 30 E HN 0.461 nan 8.360 nan 0.000 0.452 31 N N 1.112 119.770 118.700 -0.070 0.000 2.376 31 N HA 0.014 4.739 4.740 -0.024 0.000 0.249 31 N C 1.049 176.379 175.510 -0.299 0.000 1.140 31 N CA -0.043 52.946 53.050 -0.100 0.000 0.870 31 N CB 0.674 39.145 38.487 -0.027 0.000 1.124 31 N HN 0.195 nan 8.380 nan 0.000 0.505 32 L N 1.573 122.646 121.223 -0.250 0.000 2.013 32 L HA -0.244 4.081 4.340 -0.024 0.000 0.212 32 L C 2.286 178.871 176.870 -0.476 0.000 1.073 32 L CA 1.888 56.514 54.840 -0.357 0.000 0.753 32 L CB -0.897 41.123 42.059 -0.065 0.000 0.890 32 L HN 0.269 nan 8.230 nan 0.000 0.432 33 S N -0.805 114.737 115.700 -0.263 0.000 2.420 33 S HA -0.212 4.243 4.470 -0.024 0.000 0.237 33 S C 1.767 176.235 174.600 -0.219 0.000 1.023 33 S CA 1.399 59.488 58.200 -0.186 0.000 0.991 33 S CB -0.988 62.151 63.200 -0.101 0.000 0.792 33 S HN 0.631 nan 8.310 nan 0.000 0.488 34 N N 2.062 120.569 118.700 -0.322 0.000 2.396 34 N HA -0.059 4.667 4.740 -0.024 0.000 0.180 34 N C 0.738 176.171 175.510 -0.128 0.000 1.028 34 N CA 1.393 54.339 53.050 -0.174 0.000 0.893 34 N CB -0.316 38.143 38.487 -0.047 0.000 0.967 34 N HN 0.903 nan 8.380 nan 0.000 0.440 35 H N -2.353 116.637 119.070 -0.134 0.000 2.885 35 H HA 0.298 4.839 4.556 -0.025 0.000 0.237 35 H C 0.822 176.107 175.328 -0.072 0.000 1.229 35 H CA 0.031 55.992 56.048 -0.146 0.000 0.947 35 H CB -0.370 29.214 29.762 -0.297 0.000 2.223 35 H HN -0.021 nan 8.280 nan 0.000 0.628 36 S N 1.392 117.035 115.700 -0.096 0.000 2.387 36 S HA -0.231 4.225 4.470 -0.024 0.000 0.230 36 S C 1.926 176.603 174.600 0.128 0.000 1.035 36 S CA 1.702 59.921 58.200 0.032 0.000 1.014 36 S CB -0.441 62.756 63.200 -0.006 0.000 0.836 36 S HN 0.521 nan 8.310 nan 0.000 0.466 37 S N 0.068 115.828 115.700 0.099 0.000 2.575 37 S HA 0.281 4.737 4.470 -0.024 0.000 0.215 37 S C 0.618 175.301 174.600 0.138 0.000 0.966 37 S CA -0.455 57.806 58.200 0.103 0.000 0.911 37 S CB -0.225 63.013 63.200 0.063 0.000 0.780 37 S HN 0.349 nan 8.310 nan 0.000 0.514 38 K N 2.871 123.387 120.400 0.194 0.000 2.295 38 K HA 0.293 4.599 4.320 -0.024 0.000 0.270 38 K C -2.925 173.855 176.600 0.299 0.000 1.011 38 K CA -1.978 54.439 56.287 0.217 0.000 0.953 38 K CB 0.219 32.836 32.500 0.196 0.000 0.956 38 K HN 0.053 nan 8.250 nan 0.000 0.477 39 P HA -0.010 nan 4.420 nan 0.000 0.265 39 P C 0.038 177.444 177.300 0.177 0.000 1.193 39 P CA -0.161 63.033 63.100 0.158 0.000 0.765 39 P CB 0.750 32.523 31.700 0.122 0.000 0.823 40 C N 4.302 123.593 119.300 -0.014 0.000 2.503 40 C HA 0.328 4.774 4.460 -0.024 0.000 0.344 40 C C 0.014 174.906 174.990 -0.163 0.000 1.610 40 C CA 0.076 58.895 59.018 -0.332 0.000 2.351 40 C CB -0.550 26.644 27.740 -0.910 0.000 2.044 40 C HN 0.397 nan 8.230 nan 0.000 0.680 41 L N 2.677 123.857 121.223 -0.070 0.000 2.298 41 L HA 0.598 4.924 4.340 -0.024 0.000 0.284 41 L C -1.029 175.874 176.870 0.054 0.000 1.013 41 L CA -0.159 54.671 54.840 -0.017 0.000 0.824 41 L CB 1.361 43.404 42.059 -0.027 0.000 1.221 41 L HN 0.290 nan 8.230 nan 0.000 0.418 42 I N 3.014 123.570 120.570 -0.024 0.000 2.406 42 I HA 0.292 4.448 4.170 -0.024 0.000 0.290 42 I C -0.188 175.879 176.117 -0.083 0.000 0.999 42 I CA -0.524 60.742 61.300 -0.057 0.000 1.124 42 I CB 1.940 39.821 38.000 -0.199 0.000 1.289 42 I HN 0.522 nan 8.210 nan 0.000 0.441 43 N N 4.622 123.311 118.700 -0.018 0.000 2.437 43 N HA 0.167 4.892 4.740 -0.024 0.000 0.243 43 N C 0.977 176.461 175.510 -0.044 0.000 1.041 43 N CA -0.022 53.020 53.050 -0.013 0.000 0.940 43 N CB 1.797 40.316 38.487 0.053 0.000 1.133 43 N HN 0.864 nan 8.380 nan 0.000 0.506 44 G N 2.543 111.285 108.800 -0.097 0.000 2.470 44 G HA2 -0.211 3.735 3.960 -0.024 0.000 0.220 44 G HA3 -0.211 3.735 3.960 -0.024 0.000 0.220 44 G C 1.201 176.118 174.900 0.028 0.000 1.121 44 G CA 0.934 45.990 45.100 -0.073 0.000 0.766 44 G HN 0.650 nan 8.290 nan 0.000 0.553 45 A N 1.112 123.947 122.820 0.025 0.000 2.072 45 A HA 0.082 4.387 4.320 -0.024 0.000 0.216 45 A C 1.860 179.475 177.584 0.051 0.000 1.156 45 A CA 1.701 53.762 52.037 0.040 0.000 0.701 45 A CB -0.049 18.973 19.000 0.037 0.000 0.816 45 A HN 0.525 nan 8.150 nan 0.000 0.458 46 N N -3.345 115.389 118.700 0.057 0.000 2.082 46 N HA 0.202 4.928 4.740 -0.024 0.000 0.228 46 N C 0.838 176.391 175.510 0.072 0.000 1.341 46 N CA 0.982 54.069 53.050 0.062 0.000 0.873 46 N CB -0.236 38.286 38.487 0.059 0.000 1.137 46 N HN 0.708 nan 8.380 nan 0.000 0.505 47 G N 0.351 109.203 108.800 0.087 0.000 2.184 47 G HA2 -0.276 3.670 3.960 -0.024 0.000 0.264 47 G HA3 -0.276 3.670 3.960 -0.024 0.000 0.264 47 G C -0.635 174.310 174.900 0.076 0.000 0.975 47 G CA 0.340 45.505 45.100 0.108 0.000 0.642 47 G HN 0.457 nan 8.290 nan 0.000 0.536 48 D N -0.132 120.310 120.400 0.070 0.000 2.449 48 D HA 0.427 5.053 4.640 -0.024 0.000 0.236 48 D C 0.560 176.893 176.300 0.055 0.000 1.149 48 D CA 0.652 54.689 54.000 0.061 0.000 0.878 48 D CB 1.586 42.480 40.800 0.157 0.000 1.198 48 D HN 0.336 nan 8.370 nan 0.000 0.446 49 V N 2.060 121.937 119.914 -0.062 0.000 2.808 49 V HA 0.350 4.455 4.120 -0.024 0.000 0.308 49 V C -1.157 174.795 176.094 -0.237 0.000 1.099 49 V CA -0.867 61.414 62.300 -0.032 0.000 0.920 49 V CB 1.680 33.497 31.823 -0.010 0.000 1.014 49 V HN 0.395 nan 8.190 nan 0.000 0.425 50 Y N 1.532 121.825 120.300 -0.011 0.000 2.346 50 Y HA 0.538 5.074 4.550 -0.023 0.000 0.332 50 Y C 0.839 176.712 175.900 -0.045 0.000 0.985 50 Y CA -0.702 57.385 58.100 -0.023 0.000 1.112 50 Y CB 2.318 40.757 38.460 -0.035 0.000 1.170 50 Y HN 0.813 nan 8.280 nan 0.000 0.447 51 T N -1.771 112.834 114.554 0.085 0.000 2.754 51 T HA 0.081 4.416 4.350 -0.024 0.000 0.286 51 T C 0.826 175.568 174.700 0.070 0.000 0.997 51 T CA -0.068 62.089 62.100 0.095 0.000 0.982 51 T CB 0.573 69.504 68.868 0.105 0.000 1.027 51 T HN 0.569 nan 8.240 nan 0.000 0.529 52 Y N 0.630 120.991 120.300 0.101 0.000 2.181 52 Y HA 0.023 4.558 4.550 -0.025 0.000 0.288 52 Y C 3.010 178.953 175.900 0.071 0.000 1.146 52 Y CA 1.908 60.069 58.100 0.101 0.000 1.164 52 Y CB -1.021 37.521 38.460 0.137 0.000 0.982 52 Y HN 0.836 nan 8.280 nan 0.000 0.515 53 A N -0.000 122.932 122.820 0.187 0.000 1.908 53 A HA -0.214 4.091 4.320 -0.024 0.000 0.218 53 A C 1.968 179.602 177.584 0.082 0.000 1.181 53 A CA 2.054 54.156 52.037 0.108 0.000 0.627 53 A CB -0.712 18.334 19.000 0.077 0.000 0.818 53 A HN 0.399 nan 8.150 nan 0.000 0.445 54 D N -0.228 120.226 120.400 0.089 0.000 2.117 54 D HA -0.111 4.515 4.640 -0.024 0.000 0.197 54 D C 2.074 178.436 176.300 0.103 0.000 0.987 54 D CA 1.613 55.676 54.000 0.105 0.000 0.829 54 D CB -0.318 40.575 40.800 0.154 0.000 0.961 54 D HN 0.268 nan 8.370 nan 0.000 0.460 55 V N 1.332 121.287 119.914 0.068 0.000 2.453 55 V HA -0.146 3.959 4.120 -0.024 0.000 0.247 55 V C 2.466 178.567 176.094 0.011 0.000 1.048 55 V CA 1.242 63.549 62.300 0.011 0.000 1.049 55 V CB -0.305 31.480 31.823 -0.064 0.000 0.672 55 V HN 0.122 nan 8.190 nan 0.000 0.457 56 E N 0.473 120.700 120.200 0.045 0.000 2.051 56 E HA -0.214 4.122 4.350 -0.024 0.000 0.192 56 E C 2.161 178.741 176.600 -0.033 0.000 0.991 56 E CA 1.427 57.856 56.400 0.049 0.000 0.799 56 E CB -0.209 29.546 29.700 0.092 0.000 0.748 56 E HN 0.459 nan 8.360 nan 0.000 0.449 57 L N 0.886 122.099 121.223 -0.017 0.000 2.027 57 L HA -0.088 4.238 4.340 -0.024 0.000 0.206 57 L C 2.295 179.113 176.870 -0.087 0.000 1.074 57 L CA 2.182 56.994 54.840 -0.046 0.000 0.745 57 L CB -1.048 41.004 42.059 -0.012 0.000 0.898 57 L HN 0.023 nan 8.230 nan 0.000 0.433 58 T N 0.079 114.598 114.554 -0.058 0.000 2.833 58 T HA -0.109 4.227 4.350 -0.024 0.000 0.269 58 T C 1.918 176.529 174.700 -0.149 0.000 1.054 58 T CA 1.132 63.183 62.100 -0.081 0.000 1.135 58 T CB -0.495 68.356 68.868 -0.028 0.000 0.869 58 T HN 0.529 nan 8.240 nan 0.000 0.466 59 A N 2.010 124.724 122.820 -0.175 0.000 1.877 59 A HA -0.130 4.176 4.320 -0.024 0.000 0.216 59 A C 2.391 179.717 177.584 -0.431 0.000 1.186 59 A CA 1.363 53.245 52.037 -0.257 0.000 0.620 59 A CB -0.499 18.360 19.000 -0.236 0.000 0.822 59 A HN 0.388 nan 8.150 nan 0.000 0.443 60 R N -0.798 119.385 120.500 -0.529 0.000 2.096 60 R HA -0.094 4.232 4.340 -0.024 0.000 0.235 60 R C 2.462 178.626 176.300 -0.228 0.000 1.127 60 R CA 1.497 57.332 56.100 -0.442 0.000 0.968 60 R CB -0.277 29.841 30.300 -0.303 0.000 0.861 60 R HN 0.509 nan 8.270 nan 0.000 0.440 61 R N 0.002 120.392 120.500 -0.183 0.000 2.075 61 R HA -0.068 4.258 4.340 -0.024 0.000 0.232 61 R C 2.281 178.490 176.300 -0.151 0.000 1.126 61 R CA 1.178 57.195 56.100 -0.138 0.000 0.963 61 R CB -0.367 29.860 30.300 -0.121 0.000 0.858 61 R HN 0.048 nan 8.270 nan 0.000 0.435 62 V N 1.188 120.994 119.914 -0.180 0.000 2.392 62 V HA -0.263 3.843 4.120 -0.024 0.000 0.249 62 V C 2.417 178.435 176.094 -0.127 0.000 1.059 62 V CA 1.978 64.172 62.300 -0.177 0.000 1.051 62 V CB -0.624 31.097 31.823 -0.170 0.000 0.658 62 V HN 0.415 nan 8.190 nan 0.000 0.455 63 A N -0.674 122.070 122.820 -0.128 0.000 1.898 63 A HA -0.218 4.088 4.320 -0.024 0.000 0.216 63 A C 2.571 180.115 177.584 -0.067 0.000 1.181 63 A CA 2.123 54.110 52.037 -0.085 0.000 0.620 63 A CB -0.786 18.171 19.000 -0.072 0.000 0.819 63 A HN 0.509 nan 8.150 nan 0.000 0.442 64 S N -0.445 115.210 115.700 -0.076 0.000 2.368 64 S HA -0.035 4.421 4.470 -0.024 0.000 0.225 64 S C 2.052 176.619 174.600 -0.055 0.000 1.030 64 S CA 1.845 60.011 58.200 -0.057 0.000 0.999 64 S CB -0.733 62.432 63.200 -0.059 0.000 0.844 64 S HN 0.671 nan 8.310 nan 0.000 0.459 65 G N 1.530 110.286 108.800 -0.073 0.000 2.421 65 G HA2 -0.078 3.868 3.960 -0.024 0.000 0.216 65 G HA3 -0.078 3.868 3.960 -0.024 0.000 0.216 65 G C 1.467 176.337 174.900 -0.049 0.000 1.171 65 G CA 0.871 45.930 45.100 -0.069 0.000 0.775 65 G HN 0.512 nan 8.290 nan 0.000 0.543 66 L N 0.414 121.607 121.223 -0.050 0.000 2.012 66 L HA -0.151 4.174 4.340 -0.024 0.000 0.210 66 L C 2.731 179.589 176.870 -0.020 0.000 1.073 66 L CA 1.542 56.365 54.840 -0.028 0.000 0.748 66 L CB -0.478 41.564 42.059 -0.029 0.000 0.891 66 L HN 0.272 nan 8.230 nan 0.000 0.431 67 N N 0.570 119.256 118.700 -0.023 0.000 2.069 67 N HA -0.271 4.455 4.740 -0.024 0.000 0.191 67 N C 1.808 177.310 175.510 -0.014 0.000 1.031 67 N CA 1.689 54.730 53.050 -0.016 0.000 0.852 67 N CB -0.102 38.374 38.487 -0.017 0.000 1.018 67 N HN 0.127 nan 8.380 nan 0.000 0.423 68 K N 0.287 120.676 120.400 -0.018 0.000 2.113 68 K HA -0.137 4.169 4.320 -0.024 0.000 0.208 68 K C 1.615 178.209 176.600 -0.009 0.000 1.047 68 K CA 1.768 58.046 56.287 -0.015 0.000 0.928 68 K CB -0.336 32.152 32.500 -0.020 0.000 0.716 68 K HN 0.583 nan 8.250 nan 0.000 0.446 69 I N -3.902 116.664 120.570 -0.008 0.000 3.735 69 I HA 0.322 4.478 4.170 -0.024 0.000 0.310 69 I C 0.819 176.937 176.117 0.001 0.000 1.270 69 I CA 0.417 61.716 61.300 -0.001 0.000 1.207 69 I CB 0.429 38.431 38.000 0.005 0.000 1.013 69 I HN 0.297 nan 8.210 nan 0.000 0.452 70 G N 1.768 110.567 108.800 -0.001 0.000 2.179 70 G HA2 -0.182 3.764 3.960 -0.024 0.000 0.220 70 G HA3 -0.182 3.764 3.960 -0.024 0.000 0.220 70 G C -0.201 174.701 174.900 0.002 0.000 0.990 70 G CA -0.305 44.795 45.100 0.001 0.000 0.646 70 G HN 0.255 nan 8.290 nan 0.000 0.517 71 I N 2.294 122.865 120.570 0.001 0.000 2.396 71 I HA 0.384 4.539 4.170 -0.024 0.000 0.289 71 I C 0.552 176.669 176.117 0.000 0.000 1.056 71 I CA -0.525 60.777 61.300 0.003 0.000 1.365 71 I CB 1.188 39.190 38.000 0.002 0.000 1.407 71 I HN 0.120 nan 8.210 nan 0.000 0.509 72 Q N 4.627 124.430 119.800 0.004 0.000 2.204 72 Q HA 0.337 4.663 4.340 -0.024 0.000 0.254 72 Q C -0.281 175.722 176.000 0.006 0.000 0.981 72 Q CA -0.942 54.864 55.803 0.004 0.000 0.897 72 Q CB 0.861 29.602 28.738 0.006 0.000 1.273 72 Q HN 0.545 nan 8.270 nan 0.000 0.464 73 Q N -0.413 119.390 119.800 0.006 0.000 2.315 73 Q HA 0.202 4.528 4.340 -0.024 0.000 0.289 73 Q C 0.525 176.535 176.000 0.016 0.000 1.044 73 Q CA 1.396 57.205 55.803 0.010 0.000 0.920 73 Q CB -0.055 28.686 28.738 0.006 0.000 1.214 73 Q HN 0.867 nan 8.270 nan 0.000 0.392 74 G N 3.332 112.147 108.800 0.024 0.000 2.268 74 G HA2 -0.221 3.725 3.960 -0.024 0.000 0.240 74 G HA3 -0.221 3.725 3.960 -0.024 0.000 0.240 74 G C -0.391 174.528 174.900 0.032 0.000 1.010 74 G CA 0.079 45.197 45.100 0.029 0.000 0.618 74 G HN 0.706 nan 8.290 nan 0.000 0.516 75 D N 0.577 120.992 120.400 0.026 0.000 2.399 75 D HA 0.460 5.086 4.640 -0.024 0.000 0.241 75 D C 0.587 176.909 176.300 0.035 0.000 1.133 75 D CA 0.037 54.055 54.000 0.030 0.000 0.890 75 D CB 1.699 42.512 40.800 0.022 0.000 1.201 75 D HN 0.197 nan 8.370 nan 0.000 0.432 76 V N 3.258 123.201 119.914 0.048 0.000 2.439 76 V HA 0.322 4.428 4.120 -0.024 0.000 0.282 76 V C 0.488 176.611 176.094 0.048 0.000 1.039 76 V CA -0.555 61.781 62.300 0.060 0.000 0.913 76 V CB 1.047 32.925 31.823 0.091 0.000 0.983 76 V HN 0.331 nan 8.190 nan 0.000 0.460 77 I N 5.350 125.943 120.570 0.038 0.000 2.404 77 I HA 0.478 4.634 4.170 -0.024 0.000 0.293 77 I C -0.108 176.020 176.117 0.017 0.000 0.992 77 I CA -0.299 61.014 61.300 0.022 0.000 1.149 77 I CB 1.699 39.701 38.000 0.004 0.000 1.315 77 I HN 0.556 nan 8.210 nan 0.000 0.446 78 M N 7.208 126.807 119.600 -0.001 0.000 2.205 78 M HA 0.512 4.977 4.480 -0.024 0.000 0.344 78 M C -1.595 174.682 176.300 -0.039 0.000 1.085 78 M CA -0.532 54.744 55.300 -0.040 0.000 1.001 78 M CB 1.096 33.633 32.600 -0.106 0.000 1.626 78 M HN 0.471 nan 8.290 nan 0.000 0.442 79 L N 5.240 126.444 121.223 -0.032 0.000 2.295 79 L HA 0.432 4.758 4.340 -0.024 0.000 0.285 79 L C -1.028 175.922 176.870 0.132 0.000 1.035 79 L CA -0.379 54.458 54.840 -0.004 0.000 0.806 79 L CB 1.301 43.268 42.059 -0.154 0.000 1.214 79 L HN 0.728 nan 8.230 nan 0.000 0.426 80 F N 5.413 125.309 119.950 -0.091 0.000 2.542 80 F HA 0.544 5.056 4.527 -0.024 0.000 0.323 80 F C -0.823 174.895 175.800 -0.138 0.000 1.411 80 F CA -0.464 57.436 58.000 -0.168 0.000 1.124 80 F CB 0.212 39.109 39.000 -0.171 0.000 1.331 80 F HN 0.181 nan 8.300 nan 0.000 0.560 81 L N 2.968 124.177 121.223 -0.024 0.000 2.327 81 L HA 0.650 4.975 4.340 -0.024 0.000 0.258 81 L C -2.378 174.536 176.870 0.073 0.000 1.024 81 L CA -2.030 52.820 54.840 0.016 0.000 0.825 81 L CB 2.810 44.969 42.059 0.166 0.000 1.386 81 L HN 0.012 nan 8.230 nan 0.000 0.417 82 P HA 0.192 nan 4.420 nan 0.000 0.280 82 P C -0.826 176.468 177.300 -0.010 0.000 1.272 82 P CA -0.504 62.629 63.100 0.054 0.000 0.819 82 P CB 1.067 32.784 31.700 0.029 0.000 1.122 83 S N 0.255 115.881 115.700 -0.124 0.000 2.546 83 S HA 0.335 4.791 4.470 -0.024 0.000 0.290 83 S C 0.550 175.087 174.600 -0.105 0.000 1.290 83 S CA 0.320 58.366 58.200 -0.257 0.000 1.069 83 S CB -0.719 62.323 63.200 -0.262 0.000 0.846 83 S HN 0.732 nan 8.310 nan 0.000 0.495 84 S N 2.603 118.260 115.700 -0.071 0.000 2.656 84 S HA 0.417 4.872 4.470 -0.024 0.000 0.265 84 S C -3.051 171.560 174.600 0.018 0.000 1.110 84 S CA -1.147 57.052 58.200 -0.003 0.000 0.821 84 S CB 0.846 64.064 63.200 0.030 0.000 1.099 84 S HN 0.264 nan 8.310 nan 0.000 0.471 85 P HA 0.019 nan 4.420 nan 0.000 0.216 85 P C 1.020 178.263 177.300 -0.095 0.000 1.153 85 P CA 1.459 64.497 63.100 -0.103 0.000 0.848 85 P CB -0.037 31.575 31.700 -0.146 0.000 0.787 86 E N -1.287 118.889 120.200 -0.041 0.000 2.097 86 E HA -0.199 4.137 4.350 -0.024 0.000 0.196 86 E C 1.742 178.334 176.600 -0.013 0.000 1.000 86 E CA 1.078 57.461 56.400 -0.029 0.000 0.804 86 E CB -1.243 28.325 29.700 -0.219 0.000 0.740 86 E HN 0.248 nan 8.360 nan 0.000 0.454 87 F N 0.316 120.203 119.950 -0.105 0.000 2.095 87 F HA -0.244 4.268 4.527 -0.024 0.000 0.298 87 F C 2.023 177.845 175.800 0.037 0.000 1.104 87 F CA 1.177 59.151 58.000 -0.044 0.000 1.232 87 F CB -0.079 38.898 39.000 -0.038 0.000 0.987 87 F HN -0.128 nan 8.300 nan 0.000 0.475 88 V N 0.692 120.790 119.914 0.306 0.000 2.427 88 V HA -0.294 3.812 4.120 -0.024 0.000 0.248 88 V C 2.340 178.530 176.094 0.159 0.000 1.051 88 V CA 1.789 64.228 62.300 0.231 0.000 1.048 88 V CB -0.641 31.246 31.823 0.106 0.000 0.666 88 V HN 0.372 nan 8.190 nan 0.000 0.456 89 L N 0.054 121.326 121.223 0.082 0.000 2.093 89 L HA -0.116 4.210 4.340 -0.024 0.000 0.208 89 L C 2.710 179.656 176.870 0.127 0.000 1.085 89 L CA 1.463 56.343 54.840 0.066 0.000 0.755 89 L CB -0.768 41.309 42.059 0.031 0.000 0.904 89 L HN 0.355 nan 8.230 nan 0.000 0.435 90 A N -0.237 122.695 122.820 0.186 0.000 1.898 90 A HA -0.233 4.073 4.320 -0.024 0.000 0.216 90 A C 2.139 179.738 177.584 0.025 0.000 1.181 90 A CA 1.256 53.377 52.037 0.140 0.000 0.620 90 A CB -0.685 18.329 19.000 0.024 0.000 0.819 90 A HN 0.357 nan 8.150 nan 0.000 0.442 91 F N 0.769 120.652 119.950 -0.112 0.000 2.051 91 F HA -0.125 4.387 4.527 -0.025 0.000 0.296 91 F C 1.979 177.777 175.800 -0.003 0.000 1.122 91 F CA 1.844 59.792 58.000 -0.086 0.000 1.201 91 F CB -0.401 38.566 39.000 -0.055 0.000 0.978 91 F HN 0.123 nan 8.300 nan 0.000 0.472 92 L N -0.076 121.202 121.223 0.092 0.000 2.127 92 L HA -0.174 4.152 4.340 -0.024 0.000 0.211 92 L C 2.722 179.582 176.870 -0.017 0.000 1.089 92 L CA 1.254 56.128 54.840 0.056 0.000 0.757 92 L CB -1.700 40.465 42.059 0.177 0.000 0.899 92 L HN 0.403 nan 8.230 nan 0.000 0.434 93 G N -0.245 108.528 108.800 -0.045 0.000 2.421 93 G HA2 -0.232 3.713 3.960 -0.024 0.000 0.216 93 G HA3 -0.232 3.713 3.960 -0.024 0.000 0.216 93 G C 1.793 176.631 174.900 -0.103 0.000 1.171 93 G CA 0.800 45.851 45.100 -0.081 0.000 0.775 93 G HN 0.463 nan 8.290 nan 0.000 0.543 94 A N 0.478 123.207 122.820 -0.151 0.000 1.933 94 A HA -0.007 4.299 4.320 -0.024 0.000 0.218 94 A C 2.624 180.094 177.584 -0.190 0.000 1.175 94 A CA 2.275 54.213 52.037 -0.164 0.000 0.628 94 A CB -0.815 18.066 19.000 -0.199 0.000 0.814 94 A HN 0.416 nan 8.150 nan 0.000 0.444 95 S N -1.279 114.238 115.700 -0.305 0.000 2.370 95 S HA -0.219 4.237 4.470 -0.024 0.000 0.226 95 S C 1.972 176.446 174.600 -0.211 0.000 1.033 95 S CA 1.395 59.477 58.200 -0.196 0.000 1.011 95 S CB -0.631 62.450 63.200 -0.198 0.000 0.852 95 S HN 0.721 nan 8.310 nan 0.000 0.457 96 H N -0.097 118.656 119.070 -0.529 0.000 2.457 96 H HA 0.021 4.564 4.556 -0.020 0.000 0.294 96 H C 2.353 177.535 175.328 -0.244 0.000 1.064 96 H CA 1.529 57.179 56.048 -0.662 0.000 1.330 96 H CB 0.062 29.530 29.762 -0.490 0.000 1.395 96 H HN 0.270 nan 8.280 nan 0.000 0.541 97 R N 0.279 120.751 120.500 -0.046 0.000 2.240 97 R HA 0.006 4.332 4.340 -0.024 0.000 0.203 97 R C 1.215 177.512 176.300 -0.006 0.000 1.011 97 R CA 0.982 57.068 56.100 -0.022 0.000 1.007 97 R CB 0.108 30.389 30.300 -0.032 0.000 0.911 97 R HN 0.382 nan 8.270 nan 0.000 0.468 98 G N -1.526 107.280 108.800 0.010 0.000 2.132 98 G HA2 -0.210 3.735 3.960 -0.024 0.000 0.234 98 G HA3 -0.210 3.735 3.960 -0.024 0.000 0.234 98 G C 0.114 175.039 174.900 0.041 0.000 0.989 98 G CA 0.178 45.304 45.100 0.043 0.000 0.676 98 G HN 0.642 nan 8.290 nan 0.000 0.522 99 A N -0.744 122.081 122.820 0.008 0.000 2.242 99 A HA 0.902 5.208 4.320 -0.024 0.000 0.304 99 A C 0.235 177.808 177.584 -0.017 0.000 1.100 99 A CA -0.446 51.590 52.037 -0.003 0.000 0.860 99 A CB 0.806 19.794 19.000 -0.020 0.000 1.168 99 A HN 0.764 nan 8.150 nan 0.000 0.503 100 I N 0.419 120.987 120.570 -0.002 0.000 2.530 100 I HA 0.336 4.492 4.170 -0.024 0.000 0.297 100 I C -0.886 175.243 176.117 0.021 0.000 1.011 100 I CA -0.514 60.791 61.300 0.009 0.000 1.107 100 I CB 1.707 39.737 38.000 0.050 0.000 1.285 100 I HN 0.333 nan 8.210 nan 0.000 0.436 101 I N 3.908 124.510 120.570 0.054 0.000 2.378 101 I HA 0.326 4.481 4.170 -0.024 0.000 0.291 101 I C 0.119 176.343 176.117 0.179 0.000 0.992 101 I CA -0.086 61.279 61.300 0.108 0.000 1.154 101 I CB 1.559 39.683 38.000 0.207 0.000 1.315 101 I HN 0.516 nan 8.210 nan 0.000 0.448 102 T N 5.304 119.953 114.554 0.159 0.000 2.887 102 T HA 0.876 5.212 4.350 -0.024 0.000 0.288 102 T C -0.790 174.010 174.700 0.167 0.000 1.021 102 T CA -0.392 61.854 62.100 0.243 0.000 1.000 102 T CB 1.625 70.694 68.868 0.334 0.000 1.034 102 T HN 0.758 nan 8.240 nan 0.000 0.467 103 A N 1.937 124.903 122.820 0.243 0.000 2.498 103 A HA 0.973 5.279 4.320 -0.024 0.000 0.298 103 A C -0.949 176.740 177.584 0.175 0.000 1.075 103 A CA -0.546 51.620 52.037 0.216 0.000 0.714 103 A CB 1.592 20.871 19.000 0.465 0.000 1.299 103 A HN 1.298 nan 8.150 nan 0.000 0.407 104 A N 1.073 123.920 122.820 0.045 0.000 2.498 104 A HA 0.698 5.004 4.320 -0.024 0.000 0.298 104 A C -0.548 176.812 177.584 -0.374 0.000 1.075 104 A CA -0.748 51.264 52.037 -0.041 0.000 0.714 104 A CB 1.022 19.948 19.000 -0.123 0.000 1.299 104 A HN 0.887 nan 8.150 nan 0.000 0.407 105 N N 2.096 120.388 118.700 -0.680 0.000 2.447 105 N HA 0.069 4.794 4.740 -0.024 0.000 0.263 105 N C -1.449 173.484 175.510 -0.961 0.000 1.226 105 N CA -1.256 51.003 53.050 -1.319 0.000 0.906 105 N CB 1.105 39.172 38.487 -0.701 0.000 1.060 105 N HN 0.336 nan 8.380 nan 0.000 0.468 106 P HA -0.113 nan 4.420 nan 0.000 0.223 106 P C 0.596 177.033 177.300 -1.438 0.000 1.144 106 P CA 1.041 62.965 63.100 -1.961 0.000 0.783 106 P CB -0.048 30.466 31.700 -1.976 0.000 0.771 107 F N 0.037 119.648 119.950 -0.565 0.000 2.804 107 F HA 0.127 4.640 4.527 -0.023 0.000 0.303 107 F C 1.439 177.148 175.800 -0.152 0.000 1.154 107 F CA -0.372 57.511 58.000 -0.195 0.000 1.401 107 F CB -1.030 38.029 39.000 0.099 0.000 1.106 107 F HN -0.212 nan 8.300 nan 0.000 0.568 108 S N 0.033 115.703 115.700 -0.050 0.000 2.584 108 S HA 0.221 4.677 4.470 -0.024 0.000 0.270 108 S C 0.811 175.446 174.600 0.059 0.000 1.346 108 S CA -0.374 57.820 58.200 -0.009 0.000 1.018 108 S CB 0.574 63.807 63.200 0.055 0.000 0.899 108 S HN 0.393 nan 8.310 nan 0.000 0.542 109 T N -0.240 114.298 114.554 -0.026 0.000 2.849 109 T HA 0.302 4.638 4.350 -0.024 0.000 0.284 109 T C -2.174 172.496 174.700 -0.049 0.000 1.004 109 T CA -1.761 60.322 62.100 -0.027 0.000 1.021 109 T CB 0.497 69.317 68.868 -0.081 0.000 1.013 109 T HN 0.169 nan 8.240 nan 0.000 0.527 110 P HA -0.089 nan 4.420 nan 0.000 0.216 110 P C 1.707 178.913 177.300 -0.157 0.000 1.153 110 P CA 1.687 64.724 63.100 -0.104 0.000 0.858 110 P CB -0.302 31.359 31.700 -0.065 0.000 0.789 111 A N -0.027 122.718 122.820 -0.125 0.000 1.877 111 A HA -0.256 4.050 4.320 -0.024 0.000 0.216 111 A C 2.142 179.628 177.584 -0.163 0.000 1.186 111 A CA 1.802 53.759 52.037 -0.133 0.000 0.620 111 A CB -1.268 17.665 19.000 -0.112 0.000 0.822 111 A HN 0.198 nan 8.150 nan 0.000 0.443 112 E N -0.637 119.472 120.200 -0.152 0.000 2.110 112 E HA -0.175 4.161 4.350 -0.024 0.000 0.193 112 E C 2.030 178.518 176.600 -0.187 0.000 0.988 112 E CA 1.217 57.529 56.400 -0.148 0.000 0.804 112 E CB -0.278 29.347 29.700 -0.125 0.000 0.745 112 E HN 0.671 nan 8.360 nan 0.000 0.458 113 L N 0.602 121.669 121.223 -0.261 0.000 2.027 113 L HA -0.085 4.240 4.340 -0.024 0.000 0.206 113 L C 2.377 178.889 176.870 -0.597 0.000 1.074 113 L CA 1.550 56.122 54.840 -0.446 0.000 0.745 113 L CB -0.242 41.434 42.059 -0.640 0.000 0.898 113 L HN 0.038 nan 8.230 nan 0.000 0.433 114 A N -0.087 122.354 122.820 -0.631 0.000 1.902 114 A HA -0.274 4.031 4.320 -0.024 0.000 0.217 114 A C 2.402 179.664 177.584 -0.536 0.000 1.181 114 A CA 2.098 53.591 52.037 -0.907 0.000 0.623 114 A CB -0.621 18.090 19.000 -0.482 0.000 0.818 114 A HN 0.505 nan 8.150 nan 0.000 0.443 115 K N -1.347 118.870 120.400 -0.305 0.000 2.026 115 K HA -0.233 4.073 4.320 -0.024 0.000 0.208 115 K C 2.009 178.484 176.600 -0.208 0.000 1.048 115 K CA 1.833 58.004 56.287 -0.193 0.000 0.929 115 K CB -0.334 32.074 32.500 -0.153 0.000 0.713 115 K HN 0.787 nan 8.250 nan 0.000 0.439 116 H N -0.922 117.922 119.070 -0.377 0.000 2.321 116 H HA -0.076 4.465 4.556 -0.024 0.000 0.300 116 H C 1.790 176.881 175.328 -0.396 0.000 1.087 116 H CA 1.374 57.140 56.048 -0.469 0.000 1.319 116 H CB 0.062 29.556 29.762 -0.447 0.000 1.379 116 H HN 0.332 nan 8.280 nan 0.000 0.501 117 A N 0.876 123.556 122.820 -0.235 0.000 1.933 117 A HA -0.175 4.131 4.320 -0.024 0.000 0.218 117 A C 2.264 179.846 177.584 -0.003 0.000 1.175 117 A CA 1.667 53.589 52.037 -0.191 0.000 0.628 117 A CB -0.490 18.227 19.000 -0.471 0.000 0.814 117 A HN 0.474 nan 8.150 nan 0.000 0.444 118 K N -0.392 119.985 120.400 -0.039 0.000 2.001 118 K HA -0.046 4.260 4.320 -0.024 0.000 0.208 118 K C 2.240 178.873 176.600 0.056 0.000 1.048 118 K CA 1.151 57.489 56.287 0.084 0.000 0.932 118 K CB -0.348 32.194 32.500 0.070 0.000 0.715 118 K HN 0.335 nan 8.250 nan 0.000 0.437 119 A N 1.034 123.857 122.820 0.005 0.000 1.908 119 A HA -0.173 4.132 4.320 -0.024 0.000 0.218 119 A C 2.089 179.754 177.584 0.134 0.000 1.181 119 A CA 2.362 54.429 52.037 0.050 0.000 0.627 119 A CB -0.815 18.190 19.000 0.009 0.000 0.818 119 A HN 0.575 nan 8.150 nan 0.000 0.445 120 S N -1.447 114.333 115.700 0.133 0.000 2.515 120 S HA -0.022 4.433 4.470 -0.024 0.000 0.231 120 S C 0.858 175.552 174.600 0.156 0.000 0.987 120 S CA 0.612 58.951 58.200 0.232 0.000 0.936 120 S CB -0.375 62.995 63.200 0.283 0.000 0.766 120 S HN 0.532 nan 8.310 nan 0.000 0.528 121 R N 0.588 121.160 120.500 0.120 0.000 3.336 121 R HA -0.129 4.197 4.340 -0.024 0.000 0.260 121 R C 0.086 176.444 176.300 0.096 0.000 1.032 121 R CA 0.362 56.524 56.100 0.103 0.000 0.693 121 R CB -2.602 27.750 30.300 0.087 0.000 1.134 121 R HN 0.639 nan 8.270 nan 0.000 0.433 122 A N 1.105 123.987 122.820 0.103 0.000 2.488 122 A HA 0.181 4.487 4.320 -0.024 0.000 0.249 122 A C 1.134 178.764 177.584 0.077 0.000 1.083 122 A CA -0.050 52.037 52.037 0.084 0.000 0.768 122 A CB 0.430 19.468 19.000 0.063 0.000 1.017 122 A HN 0.234 nan 8.150 nan 0.000 0.496 123 K N 0.701 121.134 120.400 0.055 0.000 2.352 123 K HA 0.179 4.485 4.320 -0.024 0.000 0.194 123 K C -0.318 176.305 176.600 0.038 0.000 1.038 123 K CA 0.411 56.722 56.287 0.040 0.000 1.023 123 K CB -0.071 32.447 32.500 0.030 0.000 0.840 123 K HN 0.581 nan 8.250 nan 0.000 0.519 124 L N 0.571 121.820 121.223 0.043 0.000 2.455 124 L HA 0.457 4.782 4.340 -0.024 0.000 0.264 124 L C -1.870 175.026 176.870 0.043 0.000 0.968 124 L CA -0.848 54.018 54.840 0.044 0.000 0.827 124 L CB 1.727 43.809 42.059 0.039 0.000 1.317 124 L HN -0.212 nan 8.230 nan 0.000 0.407 125 L N 5.602 126.857 121.223 0.054 0.000 2.349 125 L HA 0.592 4.918 4.340 -0.024 0.000 0.278 125 L C -0.791 176.118 176.870 0.064 0.000 0.996 125 L CA 0.054 54.920 54.840 0.044 0.000 0.825 125 L CB 1.652 43.739 42.059 0.048 0.000 1.243 125 L HN 0.480 nan 8.230 nan 0.000 0.412 126 I N 2.756 123.352 120.570 0.043 0.000 2.362 126 I HA 0.574 4.730 4.170 -0.024 0.000 0.289 126 I C 0.212 176.365 176.117 0.059 0.000 0.994 126 I CA -0.090 61.224 61.300 0.023 0.000 1.158 126 I CB 1.808 39.772 38.000 -0.060 0.000 1.315 126 I HN 0.582 nan 8.210 nan 0.000 0.451 127 T N 4.243 118.859 114.554 0.104 0.000 2.598 127 T HA 0.392 4.728 4.350 -0.024 0.000 0.289 127 T C -1.291 173.498 174.700 0.148 0.000 1.056 127 T CA -0.389 61.821 62.100 0.184 0.000 1.088 127 T CB 1.752 70.868 68.868 0.412 0.000 1.519 127 T HN 0.584 nan 8.240 nan 0.000 0.488 128 Q N -0.098 119.850 119.800 0.246 0.000 2.257 128 Q HA 0.664 4.989 4.340 -0.024 0.000 0.262 128 Q C 0.948 177.042 176.000 0.157 0.000 0.997 128 Q CA -0.360 55.535 55.803 0.155 0.000 0.873 128 Q CB 1.789 30.598 28.738 0.118 0.000 1.312 128 Q HN 0.791 nan 8.270 nan 0.000 0.450 129 A N 0.639 123.506 122.820 0.078 0.000 1.940 129 A HA -0.196 4.110 4.320 -0.024 0.000 0.219 129 A C 1.961 179.584 177.584 0.064 0.000 1.176 129 A CA 1.973 54.061 52.037 0.085 0.000 0.631 129 A CB -1.100 17.918 19.000 0.031 0.000 0.814 129 A HN 0.966 nan 8.150 nan 0.000 0.446 130 C N -3.093 116.140 119.300 -0.111 0.000 2.485 130 C HA 0.116 4.561 4.460 -0.024 0.000 0.283 130 C C 1.645 176.467 174.990 -0.279 0.000 1.478 130 C CA 0.435 59.310 59.018 -0.240 0.000 1.741 130 C CB -2.105 25.388 27.740 -0.413 0.000 1.675 130 C HN 0.556 nan 8.230 nan 0.000 0.573 131 Y N -2.604 117.777 120.300 0.135 0.000 2.500 131 Y HA 0.217 4.753 4.550 -0.023 0.000 0.246 131 Y C 2.009 178.058 175.900 0.248 0.000 1.146 131 Y CA -0.755 57.445 58.100 0.167 0.000 1.230 131 Y CB -0.990 37.522 38.460 0.087 0.000 1.214 131 Y HN 0.259 nan 8.280 nan 0.000 0.526 132 Y N 2.044 122.482 120.300 0.230 0.000 2.114 132 Y HA -0.241 4.294 4.550 -0.024 0.000 0.282 132 Y C 1.986 177.970 175.900 0.140 0.000 1.165 132 Y CA 2.003 60.206 58.100 0.172 0.000 1.148 132 Y CB -0.019 38.507 38.460 0.110 0.000 0.972 132 Y HN -0.007 nan 8.280 nan 0.000 0.504 133 E N 0.537 120.730 120.200 -0.013 0.000 2.267 133 E HA -0.200 4.135 4.350 -0.024 0.000 0.197 133 E C 1.804 178.346 176.600 -0.097 0.000 0.998 133 E CA 1.313 57.651 56.400 -0.104 0.000 0.830 133 E CB -0.258 29.461 29.700 0.033 0.000 0.751 133 E HN 0.604 nan 8.360 nan 0.000 0.491 134 K N 0.477 120.877 120.400 0.000 0.000 2.432 134 K HA -0.014 4.292 4.320 -0.024 0.000 0.196 134 K C 1.898 178.446 176.600 -0.086 0.000 1.038 134 K CA 0.889 57.187 56.287 0.018 0.000 0.986 134 K CB 0.405 33.008 32.500 0.171 0.000 0.782 134 K HN 0.112 nan 8.250 nan 0.000 0.485 135 V N -3.224 116.592 119.914 -0.164 0.000 3.548 135 V HA 0.135 4.241 4.120 -0.024 0.000 0.279 135 V C 1.860 177.848 176.094 -0.176 0.000 1.446 135 V CA -0.078 62.130 62.300 -0.153 0.000 1.023 135 V CB 0.184 31.915 31.823 -0.153 0.000 0.820 135 V HN -0.011 nan 8.190 nan 0.000 0.438 136 K N 1.159 121.305 120.400 -0.422 0.000 2.032 136 K HA -0.281 4.025 4.320 -0.024 0.000 0.218 136 K C 1.809 178.322 176.600 -0.146 0.000 1.054 136 K CA 2.801 58.828 56.287 -0.434 0.000 0.941 136 K CB -0.302 31.937 32.500 -0.435 0.000 0.720 136 K HN 0.618 nan 8.250 nan 0.000 0.449 137 D N 0.001 120.351 120.400 -0.083 0.000 2.077 137 D HA -0.198 4.428 4.640 -0.024 0.000 0.193 137 D C 1.764 178.051 176.300 -0.021 0.000 0.989 137 D CA 1.333 55.313 54.000 -0.033 0.000 0.831 137 D CB -0.673 40.121 40.800 -0.009 0.000 0.979 137 D HN 0.250 nan 8.370 nan 0.000 0.449 138 F N 2.058 121.945 119.950 -0.104 0.000 2.111 138 F HA -0.313 4.199 4.527 -0.024 0.000 0.300 138 F C 2.114 177.866 175.800 -0.080 0.000 1.088 138 F CA 1.918 59.861 58.000 -0.095 0.000 1.243 138 F CB -0.460 38.465 39.000 -0.126 0.000 0.996 138 F HN -0.037 nan 8.300 nan 0.000 0.483 139 A N 1.390 124.075 122.820 -0.225 0.000 1.837 139 A HA -0.261 4.045 4.320 -0.024 0.000 0.216 139 A C 2.336 179.752 177.584 -0.280 0.000 1.210 139 A CA 2.264 54.144 52.037 -0.263 0.000 0.632 139 A CB -0.916 18.062 19.000 -0.037 0.000 0.843 139 A HN 0.402 nan 8.150 nan 0.000 0.448 140 R N -0.125 120.287 120.500 -0.146 0.000 2.112 140 R HA -0.173 4.153 4.340 -0.024 0.000 0.242 140 R C 2.052 178.259 176.300 -0.154 0.000 1.137 140 R CA 1.521 57.555 56.100 -0.109 0.000 0.944 140 R CB -1.366 28.903 30.300 -0.053 0.000 0.857 140 R HN 0.811 nan 8.270 nan 0.000 0.435 141 E N 0.842 120.936 120.200 -0.177 0.000 2.273 141 E HA -0.115 4.221 4.350 -0.024 0.000 0.198 141 E C 0.396 176.859 176.600 -0.229 0.000 1.002 141 E CA 1.205 57.504 56.400 -0.169 0.000 0.828 141 E CB 0.137 29.757 29.700 -0.133 0.000 0.747 141 E HN 0.196 nan 8.360 nan 0.000 0.491 142 S N 0.374 115.842 115.700 -0.386 0.000 2.578 142 S HA 0.067 4.523 4.470 -0.024 0.000 0.231 142 S C -0.387 174.057 174.600 -0.260 0.000 0.994 142 S CA -0.085 57.886 58.200 -0.381 0.000 0.956 142 S CB 0.482 63.255 63.200 -0.712 0.000 0.870 142 S HN 0.221 nan 8.310 nan 0.000 0.494 143 D N 1.430 121.708 120.400 -0.202 0.000 2.751 143 D HA -0.120 4.506 4.640 -0.024 0.000 0.233 143 D C -0.563 175.672 176.300 -0.108 0.000 1.149 143 D CA 0.488 54.415 54.000 -0.121 0.000 0.682 143 D CB -1.315 39.437 40.800 -0.080 0.000 1.068 143 D HN 0.235 nan 8.370 nan 0.000 0.429 144 V N 0.657 120.478 119.914 -0.154 0.000 2.427 144 V HA 0.152 4.258 4.120 -0.024 0.000 0.286 144 V C 0.910 176.990 176.094 -0.024 0.000 1.034 144 V CA -0.625 61.628 62.300 -0.079 0.000 0.893 144 V CB 1.934 33.709 31.823 -0.079 0.000 0.982 144 V HN -0.063 nan 8.190 nan 0.000 0.452 145 K N 3.331 123.737 120.400 0.011 0.000 2.379 145 K HA 0.425 4.731 4.320 -0.024 0.000 0.284 145 K C -0.741 175.899 176.600 0.066 0.000 1.044 145 K CA -0.214 56.094 56.287 0.035 0.000 0.974 145 K CB 1.186 33.706 32.500 0.032 0.000 0.962 145 K HN 0.451 nan 8.250 nan 0.000 0.474 146 V N 4.894 124.865 119.914 0.096 0.000 2.483 146 V HA 0.433 4.539 4.120 -0.024 0.000 0.295 146 V C -0.181 175.985 176.094 0.120 0.000 1.035 146 V CA -0.788 61.598 62.300 0.144 0.000 0.896 146 V CB 1.477 33.460 31.823 0.267 0.000 0.986 146 V HN 0.794 nan 8.190 nan 0.000 0.447 147 M N 4.571 124.241 119.600 0.116 0.000 2.386 147 M HA 0.624 5.090 4.480 -0.024 0.000 0.293 147 M C -1.693 174.657 176.300 0.083 0.000 1.120 147 M CA -0.109 55.248 55.300 0.094 0.000 0.909 147 M CB 1.819 34.480 32.600 0.103 0.000 1.661 147 M HN 0.719 nan 8.290 nan 0.000 0.452 148 C N 2.960 122.297 119.300 0.062 0.000 2.493 148 C HA 0.542 4.987 4.460 -0.024 0.000 0.326 148 C C 1.600 176.577 174.990 -0.022 0.000 1.200 148 C CA -0.759 58.287 59.018 0.047 0.000 1.739 148 C CB 1.607 29.385 27.740 0.063 0.000 2.300 148 C HN 0.815 nan 8.230 nan 0.000 0.500 149 V N -0.326 119.552 119.914 -0.061 0.000 2.878 149 V HA 0.040 4.145 4.120 -0.024 0.000 0.250 149 V C 1.130 177.260 176.094 0.059 0.000 1.075 149 V CA 1.829 64.066 62.300 -0.104 0.000 1.096 149 V CB -0.688 31.029 31.823 -0.177 0.000 0.724 149 V HN 0.917 nan 8.190 nan 0.000 0.467 150 D N 2.205 122.682 120.400 0.128 0.000 2.736 150 D HA 0.150 4.776 4.640 -0.024 0.000 0.251 150 D C 1.412 177.854 176.300 0.236 0.000 1.348 150 D CA 0.914 55.028 54.000 0.190 0.000 1.160 150 D CB -0.897 39.958 40.800 0.093 0.000 0.928 150 D HN 0.574 nan 8.370 nan 0.000 0.228 151 S N -0.767 115.000 115.700 0.112 0.000 2.661 151 S HA 0.579 5.035 4.470 -0.024 0.000 0.265 151 S C 0.076 174.719 174.600 0.071 0.000 1.225 151 S CA -0.353 57.881 58.200 0.058 0.000 0.986 151 S CB 0.962 64.168 63.200 0.010 0.000 1.008 151 S HN 0.777 nan 8.310 nan 0.000 0.565 152 A N 1.674 124.495 122.820 0.002 0.000 3.159 152 A HA 0.522 4.828 4.320 -0.024 0.000 0.330 152 A C -2.369 175.130 177.584 -0.142 0.000 1.032 152 A CA -1.557 50.459 52.037 -0.035 0.000 0.841 152 A CB -0.222 18.794 19.000 0.027 0.000 1.093 152 A HN 0.728 nan 8.150 nan 0.000 0.478 153 P HA 0.127 nan 4.420 nan 0.000 0.267 153 P C 0.010 177.113 177.300 -0.329 0.000 1.201 153 P CA 0.691 63.617 63.100 -0.290 0.000 0.775 153 P CB 0.671 32.147 31.700 -0.373 0.000 0.854 154 D N 1.156 121.475 120.400 -0.135 0.000 3.528 154 D HA -0.210 4.416 4.640 -0.024 0.000 0.163 154 D C 1.247 177.516 176.300 -0.053 0.000 1.069 154 D CA 2.546 56.519 54.000 -0.045 0.000 1.082 154 D CB -1.743 39.082 40.800 0.042 0.000 0.538 154 D HN 0.622 nan 8.370 nan 0.000 0.579 155 G N -0.755 108.030 108.800 -0.024 0.000 3.575 155 G HA2 0.382 4.328 3.960 -0.024 0.000 0.273 155 G HA3 0.382 4.328 3.960 -0.024 0.000 0.273 155 G C 0.546 175.439 174.900 -0.012 0.000 1.053 155 G CA 0.359 45.452 45.100 -0.013 0.000 0.803 155 G HN 0.854 nan 8.290 nan 0.000 0.528 156 C N 0.381 119.648 119.300 -0.055 0.000 2.676 156 C HA 0.627 5.072 4.460 -0.024 0.000 0.416 156 C C 1.154 176.152 174.990 0.012 0.000 1.299 156 C CA -1.489 57.516 59.018 -0.022 0.000 2.048 156 C CB -0.396 27.288 27.740 -0.094 0.000 2.713 156 C HN 0.266 nan 8.230 nan 0.000 0.624 157 L N 1.824 123.076 121.223 0.049 0.000 2.476 157 L HA 0.272 4.598 4.340 -0.024 0.000 0.264 157 L C 0.586 177.533 176.870 0.127 0.000 1.224 157 L CA 0.155 55.042 54.840 0.078 0.000 0.821 157 L CB -0.008 42.093 42.059 0.070 0.000 1.101 157 L HN 0.830 nan 8.230 nan 0.000 0.488 158 H N -0.700 118.401 119.070 0.051 0.000 2.499 158 H HA 0.171 4.713 4.556 -0.023 0.000 0.340 158 H C 0.133 175.549 175.328 0.147 0.000 1.148 158 H CA -0.553 55.546 56.048 0.084 0.000 1.215 158 H CB 1.173 30.966 29.762 0.053 0.000 1.529 158 H HN 0.421 nan 8.280 nan 0.000 0.510 159 F N 1.985 121.555 119.950 -0.634 0.000 2.365 159 F HA -0.116 4.397 4.527 -0.025 0.000 0.300 159 F C 2.168 177.845 175.800 -0.205 0.000 1.090 159 F CA 1.578 59.370 58.000 -0.347 0.000 1.408 159 F CB -0.359 38.450 39.000 -0.318 0.000 1.060 159 F HN 0.601 nan 8.300 nan 0.000 0.534 160 S N -0.962 114.643 115.700 -0.157 0.000 2.474 160 S HA -0.160 4.296 4.470 -0.024 0.000 0.235 160 S C 1.672 176.230 174.600 -0.070 0.000 0.997 160 S CA 0.997 59.180 58.200 -0.028 0.000 0.949 160 S CB -0.679 62.666 63.200 0.241 0.000 0.766 160 S HN 0.579 nan 8.310 nan 0.000 0.517 161 E N 0.677 120.850 120.200 -0.045 0.000 2.338 161 E HA 0.064 4.399 4.350 -0.024 0.000 0.197 161 E C 1.561 178.088 176.600 -0.121 0.000 1.007 161 E CA 0.795 57.169 56.400 -0.045 0.000 0.849 161 E CB -0.147 29.555 29.700 0.003 0.000 0.774 161 E HN 0.610 nan 8.360 nan 0.000 0.506 162 L N -0.588 120.481 121.223 -0.256 0.000 2.349 162 L HA 0.009 4.335 4.340 -0.024 0.000 0.200 162 L C 2.678 179.337 176.870 -0.351 0.000 1.064 162 L CA 1.075 55.730 54.840 -0.308 0.000 0.821 162 L CB -0.450 41.371 42.059 -0.396 0.000 1.027 162 L HN 0.143 nan 8.230 nan 0.000 0.476 163 T N -3.213 111.044 114.554 -0.495 0.000 2.951 163 T HA -0.100 4.235 4.350 -0.024 0.000 0.268 163 T C 1.597 176.196 174.700 -0.169 0.000 1.073 163 T CA 0.700 62.596 62.100 -0.341 0.000 1.134 163 T CB -0.045 68.618 68.868 -0.342 0.000 0.884 163 T HN 0.118 nan 8.240 nan 0.000 0.479 164 Q N 0.870 120.588 119.800 -0.137 0.000 2.280 164 Q HA 0.547 4.873 4.340 -0.024 0.000 0.201 164 Q C 0.817 176.778 176.000 -0.064 0.000 0.890 164 Q CA -0.026 55.735 55.803 -0.070 0.000 0.947 164 Q CB 0.113 28.832 28.738 -0.032 0.000 1.081 164 Q HN 0.736 nan 8.270 nan 0.000 0.502 165 A N 1.314 124.082 122.820 -0.087 0.000 2.406 165 A HA 0.099 4.405 4.320 -0.024 0.000 0.243 165 A C -0.011 177.538 177.584 -0.059 0.000 1.082 165 A CA -0.345 51.651 52.037 -0.068 0.000 0.786 165 A CB 0.179 19.131 19.000 -0.080 0.000 1.029 165 A HN 0.066 nan 8.150 nan 0.000 0.495 166 D N 0.677 121.050 120.400 -0.045 0.000 2.346 166 D HA 0.038 4.664 4.640 -0.024 0.000 0.260 166 D C 1.523 177.797 176.300 -0.043 0.000 1.252 166 D CA 0.133 54.111 54.000 -0.038 0.000 0.895 166 D CB 0.600 41.384 40.800 -0.027 0.000 1.097 166 D HN 0.563 nan 8.370 nan 0.000 0.489 167 E N 3.450 123.621 120.200 -0.047 0.000 2.160 167 E HA -0.269 4.066 4.350 -0.024 0.000 0.195 167 E C 0.695 177.274 176.600 -0.035 0.000 0.991 167 E CA 1.022 57.390 56.400 -0.053 0.000 0.810 167 E CB -0.531 29.135 29.700 -0.057 0.000 0.742 167 E HN 0.595 nan 8.360 nan 0.000 0.466 168 N N 0.874 119.559 118.700 -0.025 0.000 2.430 168 N HA -0.120 4.605 4.740 -0.024 0.000 0.186 168 N C 0.893 176.394 175.510 -0.015 0.000 1.032 168 N CA 0.828 53.869 53.050 -0.016 0.000 0.893 168 N CB 0.003 38.482 38.487 -0.013 0.000 0.957 168 N HN 0.334 nan 8.380 nan 0.000 0.442 169 E N 0.139 120.327 120.200 -0.021 0.000 2.451 169 E HA 0.203 4.539 4.350 -0.024 0.000 0.194 169 E C -0.454 176.134 176.600 -0.021 0.000 1.027 169 E CA -0.465 55.924 56.400 -0.018 0.000 0.914 169 E CB 0.618 30.306 29.700 -0.019 0.000 1.054 169 E HN 0.245 nan 8.360 nan 0.000 0.461 170 A N 3.407 126.213 122.820 -0.024 0.000 2.492 170 A HA 0.186 4.492 4.320 -0.024 0.000 0.254 170 A C -1.957 175.622 177.584 -0.008 0.000 1.091 170 A CA -1.131 50.892 52.037 -0.024 0.000 0.768 170 A CB -0.192 18.790 19.000 -0.030 0.000 1.028 170 A HN 0.017 nan 8.150 nan 0.000 0.498 171 P HA 0.031 nan 4.420 nan 0.000 0.268 171 P C -0.756 176.549 177.300 0.009 0.000 1.208 171 P CA -0.101 62.998 63.100 -0.000 0.000 0.777 171 P CB 0.505 32.203 31.700 -0.003 0.000 0.875 172 Q N 1.024 120.829 119.800 0.009 0.000 2.307 172 Q HA 0.318 4.644 4.340 -0.024 0.000 0.259 172 Q C -0.419 175.587 176.000 0.010 0.000 0.998 172 Q CA -0.224 55.587 55.803 0.013 0.000 0.923 172 Q CB 0.769 29.512 28.738 0.008 0.000 1.196 172 Q HN 0.210 nan 8.270 nan 0.000 0.416 173 V N 2.691 122.614 119.914 0.016 0.000 2.735 173 V HA 0.348 4.453 4.120 -0.024 0.000 0.310 173 V C -0.449 175.644 176.094 -0.001 0.000 1.061 173 V CA -0.969 61.335 62.300 0.007 0.000 0.913 173 V CB 2.420 34.249 31.823 0.010 0.000 1.005 173 V HN 0.564 nan 8.190 nan 0.000 0.428 174 D N 4.037 124.427 120.400 -0.017 0.000 2.485 174 D HA 0.402 5.028 4.640 -0.024 0.000 0.229 174 D C -0.407 175.855 176.300 -0.063 0.000 1.101 174 D CA -0.217 53.763 54.000 -0.033 0.000 0.906 174 D CB 1.625 42.408 40.800 -0.028 0.000 1.019 174 D HN 0.259 nan 8.370 nan 0.000 0.516 175 I N 1.341 121.851 120.570 -0.099 0.000 2.452 175 I HA -0.022 4.134 4.170 -0.024 0.000 0.287 175 I C 1.091 177.080 176.117 -0.212 0.000 1.079 175 I CA 0.160 61.340 61.300 -0.201 0.000 1.387 175 I CB 0.957 38.747 38.000 -0.349 0.000 1.404 175 I HN 0.042 nan 8.210 nan 0.000 0.522 176 S N 7.462 123.056 115.700 -0.178 0.000 2.562 176 S HA 0.407 4.863 4.470 -0.024 0.000 0.275 176 S C -1.585 172.925 174.600 -0.151 0.000 1.281 176 S CA -1.346 56.779 58.200 -0.126 0.000 1.045 176 S CB 1.035 64.192 63.200 -0.071 0.000 0.962 176 S HN 0.385 nan 8.310 nan 0.000 0.503 177 P HA -0.067 nan 4.420 nan 0.000 0.217 177 P C 0.182 177.481 177.300 -0.001 0.000 1.148 177 P CA 1.109 64.175 63.100 -0.057 0.000 0.828 177 P CB 0.098 31.766 31.700 -0.054 0.000 0.783 178 D N -1.204 119.188 120.400 -0.012 0.000 2.325 178 D HA 0.033 4.659 4.640 -0.024 0.000 0.225 178 D C -0.115 176.205 176.300 0.033 0.000 1.096 178 D CA 0.401 54.406 54.000 0.007 0.000 0.844 178 D CB -0.147 40.647 40.800 -0.011 0.000 0.925 178 D HN 0.198 nan 8.370 nan 0.000 0.513 179 D N 0.530 120.962 120.400 0.054 0.000 2.345 179 D HA 0.086 4.712 4.640 -0.024 0.000 0.247 179 D C 0.389 176.804 176.300 0.192 0.000 1.108 179 D CA -0.220 53.834 54.000 0.089 0.000 0.894 179 D CB 1.947 42.767 40.800 0.034 0.000 1.203 179 D HN -0.205 nan 8.370 nan 0.000 0.430 180 V N 2.359 122.343 119.914 0.117 0.000 2.686 180 V HA 0.095 4.201 4.120 -0.024 0.000 0.295 180 V C 1.148 177.291 176.094 0.081 0.000 1.055 180 V CA 0.011 62.361 62.300 0.082 0.000 1.050 180 V CB 1.705 33.558 31.823 0.049 0.000 0.984 180 V HN 0.426 nan 8.190 nan 0.000 0.482 181 V N 3.504 123.409 119.914 -0.015 0.000 3.431 181 V HA 0.610 4.715 4.120 -0.024 0.000 0.255 181 V C 0.576 176.668 176.094 -0.003 0.000 1.403 181 V CA 0.873 63.104 62.300 -0.114 0.000 1.101 181 V CB 0.806 32.307 31.823 -0.536 0.000 0.891 181 V HN 0.896 nan 8.190 nan 0.000 0.446 182 A N 0.541 123.407 122.820 0.076 0.000 2.371 182 A HA 0.781 5.087 4.320 -0.024 0.000 0.311 182 A C -1.195 176.456 177.584 0.113 0.000 1.068 182 A CA -0.335 51.808 52.037 0.176 0.000 0.744 182 A CB 1.711 20.843 19.000 0.220 0.000 1.239 182 A HN 0.432 nan 8.150 nan 0.000 0.435 183 L N 4.147 125.459 121.223 0.149 0.000 2.732 183 L HA 0.380 4.706 4.340 -0.024 0.000 0.246 183 L C -2.419 174.559 176.870 0.180 0.000 1.407 183 L CA -1.636 53.279 54.840 0.126 0.000 0.861 183 L CB 1.129 43.289 42.059 0.168 0.000 1.161 183 L HN 0.446 nan 8.230 nan 0.000 0.510 184 P HA 0.078 nan 4.420 nan 0.000 0.272 184 P C -1.208 176.136 177.300 0.074 0.000 1.223 184 P CA 0.077 63.277 63.100 0.167 0.000 0.784 184 P CB 0.667 32.399 31.700 0.052 0.000 0.923 185 Y N 0.200 120.540 120.300 0.067 0.000 2.361 185 Y HA 0.480 5.017 4.550 -0.022 0.000 0.332 185 Y C 1.031 176.957 175.900 0.044 0.000 1.101 185 Y CA 0.258 58.363 58.100 0.008 0.000 1.137 185 Y CB 1.770 40.136 38.460 -0.157 0.000 1.207 185 Y HN 0.341 nan 8.280 nan 0.000 0.463 186 S N 0.233 115.988 115.700 0.092 0.000 2.537 186 S HA 0.305 4.761 4.470 -0.024 0.000 0.270 186 S C 0.288 174.943 174.600 0.092 0.000 1.142 186 S CA -0.176 58.094 58.200 0.118 0.000 0.870 186 S CB 0.863 64.134 63.200 0.119 0.000 1.112 186 S HN 0.680 nan 8.310 nan 0.000 0.466 187 S N 2.783 118.535 115.700 0.086 0.000 2.527 187 S HA 0.415 4.871 4.470 -0.024 0.000 0.222 187 S C 1.500 176.112 174.600 0.021 0.000 0.985 187 S CA 0.721 58.941 58.200 0.033 0.000 0.921 187 S CB -1.050 62.182 63.200 0.054 0.000 0.772 187 S HN 2.102 nan 8.310 nan 0.000 0.529 188 G N 1.827 110.686 108.800 0.099 0.000 2.566 188 G HA2 -0.387 3.559 3.960 -0.024 0.000 0.280 188 G HA3 -0.387 3.559 3.960 -0.024 0.000 0.280 188 G C 0.779 175.744 174.900 0.109 0.000 1.225 188 G CA 1.144 46.333 45.100 0.149 0.000 0.966 188 G HN 1.142 nan 8.290 nan 0.000 0.560 189 T N -2.883 111.738 114.554 0.112 0.000 3.113 189 T HA 0.469 4.805 4.350 -0.024 0.000 0.256 189 T C 0.894 175.629 174.700 0.058 0.000 1.131 189 T CA 1.923 64.078 62.100 0.093 0.000 1.074 189 T CB 0.116 69.050 68.868 0.110 0.000 0.944 189 T HN 1.965 nan 8.240 nan 0.000 0.516 190 T N -1.071 113.500 114.554 0.029 0.000 3.168 190 T HA 0.493 4.829 4.350 -0.024 0.000 0.373 190 T C -0.098 174.590 174.700 -0.020 0.000 1.681 190 T CA 0.537 62.645 62.100 0.012 0.000 1.135 190 T CB 0.809 69.685 68.868 0.014 0.000 1.477 190 T HN 1.196 nan 8.240 nan 0.000 0.480 191 G N 2.455 111.251 108.800 -0.007 0.000 2.508 191 G HA2 -0.080 3.866 3.960 -0.024 0.000 0.220 191 G HA3 -0.080 3.866 3.960 -0.024 0.000 0.220 191 G C -0.985 173.905 174.900 -0.017 0.000 1.287 191 G CA -0.305 44.783 45.100 -0.020 0.000 0.916 191 G HN 0.954 nan 8.290 nan 0.000 0.574 192 L N 1.628 122.831 121.223 -0.032 0.000 2.439 192 L HA 0.460 4.786 4.340 -0.024 0.000 0.259 192 L C -1.854 175.001 176.870 -0.024 0.000 1.129 192 L CA -1.821 53.008 54.840 -0.018 0.000 0.803 192 L CB 1.106 43.156 42.059 -0.016 0.000 1.161 192 L HN 0.309 nan 8.230 nan 0.000 0.462 193 P HA 0.055 nan 4.420 nan 0.000 0.262 193 P C -1.262 176.087 177.300 0.082 0.000 1.182 193 P CA 0.441 63.587 63.100 0.076 0.000 0.761 193 P CB 0.418 32.184 31.700 0.111 0.000 0.795 194 K N 1.539 121.931 120.400 -0.014 0.000 2.443 194 K HA 0.600 4.905 4.320 -0.024 0.000 0.251 194 K C 0.078 176.384 176.600 -0.490 0.000 0.972 194 K CA -1.016 55.178 56.287 -0.156 0.000 0.833 194 K CB 1.967 34.235 32.500 -0.388 0.000 1.317 194 K HN 0.392 nan 8.250 nan 0.000 0.441 195 G N 0.827 109.213 108.800 -0.690 0.000 2.351 195 G HA2 0.318 4.264 3.960 -0.024 0.000 0.287 195 G HA3 0.318 4.264 3.960 -0.024 0.000 0.287 195 G C -0.422 174.312 174.900 -0.276 0.000 1.159 195 G CA -0.358 44.135 45.100 -1.011 0.000 0.929 195 G HN 0.240 nan 8.290 nan 0.000 0.435 196 V N 5.230 124.994 119.914 -0.249 0.000 2.368 196 V HA 0.195 4.301 4.120 -0.024 0.000 0.266 196 V C 0.582 176.600 176.094 -0.127 0.000 1.045 196 V CA -0.236 61.971 62.300 -0.156 0.000 0.899 196 V CB 0.895 32.644 31.823 -0.122 0.000 1.006 196 V HN 0.708 nan 8.190 nan 0.000 0.470 197 M N 6.766 126.292 119.600 -0.122 0.000 2.143 197 M HA 0.419 4.884 4.480 -0.024 0.000 0.348 197 M C -0.765 175.498 176.300 -0.061 0.000 1.375 197 M CA 0.193 55.455 55.300 -0.065 0.000 1.124 197 M CB 0.371 32.943 32.600 -0.047 0.000 1.669 197 M HN 0.405 nan 8.290 nan 0.000 0.469 198 L N 3.537 124.743 121.223 -0.027 0.000 2.322 198 L HA 0.528 4.854 4.340 -0.024 0.000 0.281 198 L C 0.662 177.527 176.870 -0.008 0.000 1.014 198 L CA -0.695 54.131 54.840 -0.023 0.000 0.815 198 L CB 1.854 43.908 42.059 -0.008 0.000 1.247 198 L HN 0.702 nan 8.230 nan 0.000 0.421 199 T N -2.855 111.694 114.554 -0.009 0.000 2.897 199 T HA 0.253 4.589 4.350 -0.024 0.000 0.278 199 T C 1.035 175.741 174.700 0.010 0.000 0.981 199 T CA -0.354 61.761 62.100 0.025 0.000 0.973 199 T CB 1.121 70.011 68.868 0.036 0.000 1.092 199 T HN 0.512 nan 8.240 nan 0.000 0.543 200 H N -0.225 118.840 119.070 -0.007 0.000 2.321 200 H HA 0.081 4.623 4.556 -0.024 0.000 0.300 200 H C 2.326 177.621 175.328 -0.054 0.000 1.087 200 H CA 2.130 58.170 56.048 -0.013 0.000 1.319 200 H CB -0.018 29.727 29.762 -0.029 0.000 1.379 200 H HN 0.699 nan 8.280 nan 0.000 0.501 201 K N 0.224 120.661 120.400 0.062 0.000 2.057 201 K HA -0.131 4.174 4.320 -0.024 0.000 0.207 201 K C 2.398 178.954 176.600 -0.073 0.000 1.049 201 K CA 1.309 57.572 56.287 -0.041 0.000 0.931 201 K CB -0.403 32.068 32.500 -0.048 0.000 0.714 201 K HN 0.349 nan 8.250 nan 0.000 0.440 202 G N 1.515 110.287 108.800 -0.047 0.000 2.480 202 G HA2 -0.266 3.680 3.960 -0.024 0.000 0.216 202 G HA3 -0.266 3.680 3.960 -0.024 0.000 0.216 202 G C 1.494 176.357 174.900 -0.063 0.000 1.200 202 G CA 1.057 46.122 45.100 -0.059 0.000 0.782 202 G HN 0.245 nan 8.290 nan 0.000 0.554 203 L N 0.102 121.300 121.223 -0.042 0.000 2.046 203 L HA -0.003 4.322 4.340 -0.024 0.000 0.208 203 L C 2.904 179.746 176.870 -0.047 0.000 1.077 203 L CA 0.600 55.426 54.840 -0.023 0.000 0.747 203 L CB -0.343 41.728 42.059 0.020 0.000 0.896 203 L HN 0.212 nan 8.230 nan 0.000 0.432 204 I N -0.637 119.864 120.570 -0.116 0.000 2.208 204 I HA -0.299 3.856 4.170 -0.024 0.000 0.245 204 I C 2.517 178.408 176.117 -0.377 0.000 1.097 204 I CA 1.522 62.606 61.300 -0.360 0.000 1.363 204 I CB -0.522 37.163 38.000 -0.526 0.000 1.051 204 I HN 0.263 nan 8.210 nan 0.000 0.413 205 T N -0.358 114.048 114.554 -0.246 0.000 2.684 205 T HA -0.227 4.109 4.350 -0.024 0.000 0.267 205 T C 2.122 176.751 174.700 -0.119 0.000 1.036 205 T CA 2.005 63.990 62.100 -0.192 0.000 1.148 205 T CB -0.281 68.502 68.868 -0.141 0.000 0.863 205 T HN 0.333 nan 8.240 nan 0.000 0.436 206 S N 0.181 115.832 115.700 -0.081 0.000 2.368 206 S HA -0.106 4.350 4.470 -0.024 0.000 0.225 206 S C 2.142 176.739 174.600 -0.004 0.000 1.030 206 S CA 1.167 59.343 58.200 -0.039 0.000 0.999 206 S CB -0.476 62.704 63.200 -0.033 0.000 0.844 206 S HN 0.292 nan 8.310 nan 0.000 0.459 207 V N 2.019 121.947 119.914 0.022 0.000 2.307 207 V HA -0.084 4.022 4.120 -0.024 0.000 0.245 207 V C 2.885 179.056 176.094 0.128 0.000 1.045 207 V CA 1.680 64.043 62.300 0.104 0.000 1.024 207 V CB -1.357 30.612 31.823 0.243 0.000 0.651 207 V HN 0.608 nan 8.190 nan 0.000 0.449 208 A N -0.593 122.282 122.820 0.091 0.000 1.908 208 A HA -0.313 3.992 4.320 -0.024 0.000 0.218 208 A C 2.147 179.767 177.584 0.059 0.000 1.181 208 A CA 2.046 54.139 52.037 0.093 0.000 0.627 208 A CB -0.546 18.419 19.000 -0.059 0.000 0.818 208 A HN 0.643 nan 8.150 nan 0.000 0.445 209 Q N -0.780 119.032 119.800 0.019 0.000 2.234 209 Q HA -0.232 4.094 4.340 -0.024 0.000 0.206 209 Q C 2.171 178.206 176.000 0.058 0.000 0.980 209 Q CA 1.716 57.533 55.803 0.025 0.000 0.869 209 Q CB -0.166 28.572 28.738 0.000 0.000 0.912 209 Q HN 0.814 nan 8.270 nan 0.000 0.436 210 Q N -0.522 119.322 119.800 0.073 0.000 2.204 210 Q HA -0.028 4.298 4.340 -0.024 0.000 0.198 210 Q C 1.889 177.977 176.000 0.147 0.000 0.946 210 Q CA 1.414 57.278 55.803 0.101 0.000 0.859 210 Q CB 0.594 29.385 28.738 0.088 0.000 0.946 210 Q HN 0.371 nan 8.270 nan 0.000 0.474 211 V N -3.425 116.576 119.914 0.145 0.000 3.502 211 V HA 0.228 4.334 4.120 -0.024 0.000 0.288 211 V C 0.035 176.217 176.094 0.147 0.000 1.461 211 V CA -0.305 62.096 62.300 0.168 0.000 1.029 211 V CB 0.436 32.334 31.823 0.124 0.000 0.843 211 V HN -0.082 nan 8.190 nan 0.000 0.438 212 D N 1.326 121.809 120.400 0.139 0.000 2.466 212 D HA 0.660 5.285 4.640 -0.024 0.000 0.262 212 D C 0.623 177.005 176.300 0.137 0.000 1.177 212 D CA 1.413 55.495 54.000 0.137 0.000 1.035 212 D CB 1.217 42.107 40.800 0.150 0.000 1.105 212 D HN 0.760 nan 8.370 nan 0.000 0.551 213 G N 0.252 109.132 108.800 0.134 0.000 2.692 213 G HA2 -0.165 3.781 3.960 -0.024 0.000 0.686 213 G HA3 -0.165 3.781 3.960 -0.024 0.000 0.686 213 G C 0.236 175.214 174.900 0.130 0.000 1.243 213 G CA -0.370 44.806 45.100 0.127 0.000 0.782 213 G HN 0.350 nan 8.290 nan 0.000 0.625 214 D N 0.137 120.604 120.400 0.110 0.000 2.149 214 D HA -0.091 4.535 4.640 -0.024 0.000 0.198 214 D C 1.331 177.690 176.300 0.099 0.000 0.990 214 D CA 1.912 55.970 54.000 0.098 0.000 0.839 214 D CB 0.121 40.965 40.800 0.073 0.000 0.948 214 D HN 0.452 nan 8.370 nan 0.000 0.460 215 N N 0.618 119.380 118.700 0.104 0.000 2.851 215 N HA 0.148 4.874 4.740 -0.024 0.000 0.248 215 N C -2.783 172.817 175.510 0.150 0.000 1.221 215 N CA -1.889 51.223 53.050 0.103 0.000 0.847 215 N CB 1.075 39.617 38.487 0.092 0.000 1.150 215 N HN -0.130 nan 8.380 nan 0.000 0.507 216 P HA 0.054 nan 4.420 nan 0.000 0.269 216 P C 0.468 177.896 177.300 0.214 0.000 1.209 216 P CA -0.156 63.072 63.100 0.213 0.000 0.776 216 P CB 1.224 33.090 31.700 0.278 0.000 0.876 217 N N 1.078 119.886 118.700 0.181 0.000 2.223 217 N HA -0.117 4.609 4.740 -0.024 0.000 0.185 217 N C 0.217 175.861 175.510 0.222 0.000 1.016 217 N CA 0.909 54.060 53.050 0.168 0.000 0.863 217 N CB -0.245 38.312 38.487 0.117 0.000 0.983 217 N HN 0.319 nan 8.380 nan 0.000 0.429 218 L N 1.472 122.837 121.223 0.236 0.000 2.353 218 L HA 0.304 4.629 4.340 -0.024 0.000 0.270 218 L C -1.393 175.625 176.870 0.246 0.000 1.003 218 L CA -0.858 54.112 54.840 0.217 0.000 0.862 218 L CB 0.512 42.664 42.059 0.155 0.000 1.221 218 L HN -0.043 nan 8.230 nan 0.000 0.430 219 Y N 4.629 124.970 120.300 0.068 0.000 2.319 219 Y HA 0.548 5.084 4.550 -0.025 0.000 0.328 219 Y C -1.144 174.723 175.900 -0.054 0.000 1.133 219 Y CA -0.216 57.943 58.100 0.099 0.000 1.265 219 Y CB 0.745 39.274 38.460 0.116 0.000 1.218 219 Y HN 0.514 nan 8.280 nan 0.000 0.508 220 F N 4.539 124.078 119.950 -0.684 0.000 2.458 220 F HA 0.387 4.900 4.527 -0.024 0.000 0.336 220 F C 0.135 175.524 175.800 -0.685 0.000 1.114 220 F CA -0.664 57.002 58.000 -0.557 0.000 0.987 220 F CB 1.016 39.818 39.000 -0.330 0.000 1.130 220 F HN 0.566 nan 8.300 nan 0.000 0.458 221 H N 0.070 118.967 119.070 -0.288 0.000 2.508 221 H HA 0.157 4.698 4.556 -0.024 0.000 0.358 221 H C 0.954 176.237 175.328 -0.075 0.000 1.212 221 H CA -0.045 55.905 56.048 -0.163 0.000 1.356 221 H CB 1.398 31.137 29.762 -0.037 0.000 1.525 221 H HN 0.691 nan 8.280 nan 0.000 0.578 222 S N 0.560 116.307 115.700 0.078 0.000 2.423 222 S HA -0.131 4.325 4.470 -0.024 0.000 0.231 222 S C 1.197 175.825 174.600 0.046 0.000 1.014 222 S CA 0.977 59.195 58.200 0.029 0.000 0.965 222 S CB -0.061 63.147 63.200 0.014 0.000 0.785 222 S HN 0.662 nan 8.310 nan 0.000 0.495 223 E N 1.157 121.405 120.200 0.080 0.000 2.489 223 E HA 0.092 4.428 4.350 -0.024 0.000 0.193 223 E C -0.407 176.237 176.600 0.074 0.000 1.057 223 E CA -0.189 56.255 56.400 0.073 0.000 0.866 223 E CB 0.052 29.798 29.700 0.076 0.000 0.916 223 E HN 0.538 nan 8.360 nan 0.000 0.500 224 D N 0.806 121.253 120.400 0.078 0.000 2.449 224 D HA 0.012 4.637 4.640 -0.024 0.000 0.236 224 D C -0.455 175.884 176.300 0.065 0.000 1.149 224 D CA 0.623 54.650 54.000 0.046 0.000 0.878 224 D CB 1.514 42.339 40.800 0.042 0.000 1.198 224 D HN -0.205 nan 8.370 nan 0.000 0.446 225 V N 3.711 123.647 119.914 0.037 0.000 2.524 225 V HA 0.268 4.374 4.120 -0.024 0.000 0.297 225 V C 0.104 176.204 176.094 0.010 0.000 1.035 225 V CA -0.752 61.574 62.300 0.044 0.000 0.867 225 V CB 1.908 33.765 31.823 0.057 0.000 1.004 225 V HN 0.402 nan 8.190 nan 0.000 0.426 226 I N 5.157 125.744 120.570 0.028 0.000 2.396 226 I HA 0.519 4.675 4.170 -0.024 0.000 0.292 226 I C -0.567 175.521 176.117 -0.047 0.000 0.999 226 I CA -0.648 60.646 61.300 -0.010 0.000 1.310 226 I CB 1.478 39.516 38.000 0.064 0.000 1.404 226 I HN 0.620 nan 8.210 nan 0.000 0.496 227 L N 8.385 129.562 121.223 -0.076 0.000 2.312 227 L HA 0.396 4.722 4.340 -0.024 0.000 0.281 227 L C -0.880 175.930 176.870 -0.099 0.000 1.070 227 L CA 0.053 54.843 54.840 -0.084 0.000 0.805 227 L CB 1.256 43.267 42.059 -0.080 0.000 1.174 227 L HN 0.743 nan 8.230 nan 0.000 0.434 228 C N 5.748 124.987 119.300 -0.102 0.000 2.492 228 C HA 0.418 4.864 4.460 -0.024 0.000 0.284 228 C C 0.898 175.820 174.990 -0.113 0.000 1.082 228 C CA -0.462 58.482 59.018 -0.125 0.000 1.555 228 C CB -0.250 27.407 27.740 -0.139 0.000 1.798 228 C HN 0.822 nan 8.230 nan 0.000 0.413 229 V N 5.951 125.801 119.914 -0.107 0.000 3.644 229 V HA 0.348 4.454 4.120 -0.024 0.000 0.267 229 V C 0.778 176.788 176.094 -0.140 0.000 1.277 229 V CA 0.525 62.782 62.300 -0.072 0.000 1.096 229 V CB -0.186 31.625 31.823 -0.020 0.000 0.828 229 V HN 0.739 nan 8.190 nan 0.000 0.446 230 L N 2.000 123.109 121.223 -0.190 0.000 2.436 230 L HA 0.365 4.690 4.340 -0.024 0.000 0.265 230 L C -2.122 174.555 176.870 -0.321 0.000 1.168 230 L CA -1.734 52.961 54.840 -0.242 0.000 0.815 230 L CB 0.259 42.198 42.059 -0.200 0.000 1.109 230 L HN 0.090 nan 8.230 nan 0.000 0.462 231 P HA 0.102 nan 4.420 nan 0.000 0.266 231 P C 0.392 177.184 177.300 -0.847 0.000 1.215 231 P CA 0.157 62.743 63.100 -0.856 0.000 0.763 231 P CB 0.558 31.474 31.700 -1.307 0.000 0.806 232 M N 2.486 121.556 119.600 -0.883 0.000 2.374 232 M HA -0.069 4.397 4.480 -0.024 0.000 0.264 232 M C 1.140 177.004 176.300 -0.726 0.000 1.067 232 M CA 1.652 56.417 55.300 -0.891 0.000 1.103 232 M CB -0.584 31.174 32.600 -1.402 0.000 1.402 232 M HN 0.357 nan 8.290 nan 0.000 0.444 233 F N -1.674 118.077 119.950 -0.332 0.000 2.641 233 F HA 0.032 4.545 4.527 -0.025 0.000 0.298 233 F C 1.100 176.984 175.800 0.140 0.000 1.146 233 F CA 0.320 58.360 58.000 0.066 0.000 1.464 233 F CB -1.179 37.897 39.000 0.126 0.000 1.101 233 F HN 0.077 nan 8.300 nan 0.000 0.585 234 H N 1.252 120.271 119.070 -0.085 0.000 2.467 234 H HA 0.219 4.761 4.556 -0.023 0.000 0.326 234 H C 1.040 176.362 175.328 -0.010 0.000 1.094 234 H CA -0.781 55.294 56.048 0.044 0.000 1.253 234 H CB 1.540 31.287 29.762 -0.024 0.000 1.439 234 H HN 0.166 nan 8.280 nan 0.000 0.479 235 I N 5.646 126.177 120.570 -0.065 0.000 2.335 235 I HA -0.276 3.880 4.170 -0.024 0.000 0.251 235 I C 1.825 178.010 176.117 0.114 0.000 1.129 235 I CA 1.220 62.525 61.300 0.008 0.000 1.402 235 I CB -0.737 37.238 38.000 -0.041 0.000 1.069 235 I HN 0.678 nan 8.210 nan 0.000 0.424 236 Y N 1.130 121.625 120.300 0.325 0.000 2.165 236 Y HA -0.260 4.275 4.550 -0.024 0.000 0.286 236 Y C 2.342 178.227 175.900 -0.025 0.000 1.155 236 Y CA 2.010 60.182 58.100 0.121 0.000 1.164 236 Y CB -0.645 37.828 38.460 0.022 0.000 0.978 236 Y HN 0.203 nan 8.280 nan 0.000 0.513 237 A N -0.358 122.376 122.820 -0.145 0.000 1.930 237 A HA -0.082 4.223 4.320 -0.024 0.000 0.215 237 A C 2.115 179.524 177.584 -0.291 0.000 1.176 237 A CA 1.301 53.157 52.037 -0.302 0.000 0.632 237 A CB -1.091 17.759 19.000 -0.250 0.000 0.819 237 A HN 0.515 nan 8.150 nan 0.000 0.445 238 L N 0.564 121.646 121.223 -0.235 0.000 2.083 238 L HA -0.145 4.181 4.340 -0.024 0.000 0.209 238 L C 1.966 178.694 176.870 -0.236 0.000 1.083 238 L CA 2.313 57.005 54.840 -0.247 0.000 0.752 238 L CB -0.615 41.295 42.059 -0.249 0.000 0.899 238 L HN 0.535 nan 8.230 nan 0.000 0.433 239 N N -0.748 117.821 118.700 -0.217 0.000 2.187 239 N HA -0.162 4.564 4.740 -0.024 0.000 0.190 239 N C 1.998 177.393 175.510 -0.191 0.000 1.052 239 N CA 1.896 54.842 53.050 -0.173 0.000 0.863 239 N CB -0.411 37.998 38.487 -0.130 0.000 1.041 239 N HN 0.501 nan 8.380 nan 0.000 0.447 240 S N 0.076 115.585 115.700 -0.318 0.000 2.419 240 S HA -0.046 4.409 4.470 -0.024 0.000 0.235 240 S C 2.130 176.598 174.600 -0.220 0.000 1.019 240 S CA 0.978 58.993 58.200 -0.309 0.000 0.982 240 S CB -0.444 62.407 63.200 -0.582 0.000 0.789 240 S HN 0.429 nan 8.310 nan 0.000 0.490 241 I N -0.360 120.062 120.570 -0.246 0.000 2.900 241 I HA 0.061 4.217 4.170 -0.024 0.000 0.251 241 I C 2.509 178.562 176.117 -0.106 0.000 1.102 241 I CA 0.306 61.513 61.300 -0.156 0.000 1.457 241 I CB -0.288 37.598 38.000 -0.191 0.000 1.285 241 I HN 0.212 nan 8.210 nan 0.000 0.459 242 M N 1.079 120.599 119.600 -0.133 0.000 2.073 242 M HA -0.064 4.402 4.480 -0.024 0.000 0.259 242 M C 2.485 178.749 176.300 -0.060 0.000 1.079 242 M CA 1.890 57.133 55.300 -0.096 0.000 1.131 242 M CB -1.194 31.339 32.600 -0.111 0.000 1.316 242 M HN 0.170 nan 8.290 nan 0.000 0.415 243 L N -0.610 120.576 121.223 -0.062 0.000 2.012 243 L HA -0.267 4.059 4.340 -0.024 0.000 0.210 243 L C 2.746 179.606 176.870 -0.016 0.000 1.073 243 L CA 1.132 55.970 54.840 -0.005 0.000 0.748 243 L CB -0.926 41.143 42.059 0.017 0.000 0.891 243 L HN 0.360 nan 8.230 nan 0.000 0.431 244 C N 0.184 119.463 119.300 -0.034 0.000 2.429 244 C HA -0.100 4.346 4.460 -0.024 0.000 0.277 244 C C 2.945 177.845 174.990 -0.150 0.000 1.262 244 C CA 0.902 59.895 59.018 -0.042 0.000 1.733 244 C CB -1.510 26.239 27.740 0.016 0.000 2.010 244 C HN 0.713 nan 8.230 nan 0.000 0.483 245 G N 0.217 108.946 108.800 -0.118 0.000 2.418 245 G HA2 -0.140 3.805 3.960 -0.024 0.000 0.217 245 G HA3 -0.140 3.805 3.960 -0.024 0.000 0.217 245 G C 1.559 176.375 174.900 -0.140 0.000 1.158 245 G CA 0.547 45.534 45.100 -0.189 0.000 0.771 245 G HN 0.506 nan 8.290 nan 0.000 0.545 246 L N -0.036 121.176 121.223 -0.018 0.000 2.046 246 L HA -0.061 4.265 4.340 -0.024 0.000 0.208 246 L C 2.922 179.817 176.870 0.042 0.000 1.077 246 L CA 1.444 56.370 54.840 0.143 0.000 0.747 246 L CB -0.493 41.640 42.059 0.122 0.000 0.896 246 L HN 0.212 nan 8.230 nan 0.000 0.432 247 R N 1.188 121.629 120.500 -0.099 0.000 2.117 247 R HA -0.169 4.157 4.340 -0.024 0.000 0.243 247 R C 1.788 177.944 176.300 -0.241 0.000 1.143 247 R CA 2.152 58.128 56.100 -0.207 0.000 0.968 247 R CB -0.753 29.409 30.300 -0.230 0.000 0.863 247 R HN 0.396 nan 8.270 nan 0.000 0.444 248 V N -2.894 116.804 119.914 -0.359 0.000 3.647 248 V HA 0.424 4.530 4.120 -0.024 0.000 0.279 248 V C 1.052 176.786 176.094 -0.600 0.000 1.314 248 V CA 0.370 62.389 62.300 -0.468 0.000 1.125 248 V CB -0.298 31.076 31.823 -0.748 0.000 0.907 248 V HN 0.435 nan 8.190 nan 0.000 0.434 249 G N 0.275 108.697 108.800 -0.631 0.000 2.198 249 G HA2 -0.088 3.858 3.960 -0.024 0.000 0.260 249 G HA3 -0.088 3.858 3.960 -0.024 0.000 0.260 249 G C 0.302 174.783 174.900 -0.698 0.000 1.025 249 G CA 0.408 44.747 45.100 -1.269 0.000 0.769 249 G HN 1.663 nan 8.290 nan 0.000 0.507 250 A N 0.421 123.058 122.820 -0.304 0.000 2.302 250 A HA 0.843 5.149 4.320 -0.024 0.000 0.285 250 A C -1.443 176.199 177.584 0.097 0.000 1.105 250 A CA -1.220 50.747 52.037 -0.116 0.000 0.816 250 A CB 1.065 19.980 19.000 -0.142 0.000 1.067 250 A HN 0.254 nan 8.150 nan 0.000 0.489 251 P HA 0.404 nan 4.420 nan 0.000 0.279 251 P C -1.017 176.306 177.300 0.038 0.000 1.239 251 P CA 0.121 63.281 63.100 0.101 0.000 0.789 251 P CB 0.838 32.595 31.700 0.095 0.000 0.933 252 I N 3.391 123.956 120.570 -0.008 0.000 2.382 252 I HA 0.243 4.399 4.170 -0.024 0.000 0.286 252 I C 0.128 176.190 176.117 -0.093 0.000 1.002 252 I CA -1.081 60.193 61.300 -0.043 0.000 1.135 252 I CB 1.767 39.734 38.000 -0.055 0.000 1.288 252 I HN 0.164 nan 8.210 nan 0.000 0.448 253 L N 8.592 129.742 121.223 -0.121 0.000 2.261 253 L HA 0.505 4.831 4.340 -0.024 0.000 0.289 253 L C -0.400 176.380 176.870 -0.150 0.000 1.059 253 L CA 0.167 54.885 54.840 -0.205 0.000 0.816 253 L CB 0.255 42.159 42.059 -0.259 0.000 1.191 253 L HN 0.389 nan 8.230 nan 0.000 0.431 254 I N 5.567 126.055 120.570 -0.138 0.000 2.396 254 I HA 0.322 4.477 4.170 -0.024 0.000 0.292 254 I C 0.017 176.090 176.117 -0.074 0.000 0.999 254 I CA -0.217 61.023 61.300 -0.100 0.000 1.310 254 I CB 1.285 39.234 38.000 -0.084 0.000 1.404 254 I HN 0.540 nan 8.210 nan 0.000 0.496 255 M N 7.171 126.743 119.600 -0.047 0.000 2.018 255 M HA 0.275 4.741 4.480 -0.024 0.000 0.311 255 M C -1.910 174.400 176.300 0.017 0.000 0.928 255 M CA -1.489 53.810 55.300 -0.002 0.000 0.911 255 M CB 1.970 34.593 32.600 0.039 0.000 1.447 255 M HN 0.253 nan 8.290 nan 0.000 0.407 256 P HA -0.112 nan 4.420 nan 0.000 0.216 256 P C -0.399 176.960 177.300 0.099 0.000 1.150 256 P CA 1.347 64.474 63.100 0.044 0.000 0.843 256 P CB 0.268 31.998 31.700 0.050 0.000 0.787 257 K N -1.444 119.025 120.400 0.115 0.000 2.482 257 K HA 0.299 4.605 4.320 -0.024 0.000 0.251 257 K C -1.328 175.375 176.600 0.171 0.000 0.936 257 K CA -0.991 55.399 56.287 0.171 0.000 0.791 257 K CB 0.893 33.490 32.500 0.161 0.000 1.213 257 K HN -0.277 nan 8.250 nan 0.000 0.428 258 F N 3.476 123.462 119.950 0.060 0.000 2.456 258 F HA 0.299 4.812 4.527 -0.023 0.000 0.358 258 F C -0.346 175.469 175.800 0.025 0.000 1.095 258 F CA 0.273 58.290 58.000 0.028 0.000 1.216 258 F CB 0.788 39.803 39.000 0.025 0.000 1.125 258 F HN 0.452 nan 8.300 nan 0.000 0.549 259 E N 7.486 127.199 120.200 -0.811 0.000 2.313 259 E HA 0.166 4.502 4.350 -0.024 0.000 0.280 259 E C 0.542 176.676 176.600 -0.776 0.000 0.898 259 E CA -0.379 55.628 56.400 -0.655 0.000 0.803 259 E CB 1.179 30.719 29.700 -0.266 0.000 1.286 259 E HN 0.593 nan 8.360 nan 0.000 0.401 260 I N 2.694 122.809 120.570 -0.759 0.000 2.113 260 I HA -0.253 3.903 4.170 -0.024 0.000 0.242 260 I C 2.055 178.039 176.117 -0.221 0.000 1.064 260 I CA 2.103 63.157 61.300 -0.410 0.000 1.320 260 I CB -1.736 36.169 38.000 -0.159 0.000 1.028 260 I HN 0.637 nan 8.210 nan 0.000 0.406 261 G N 0.824 109.530 108.800 -0.157 0.000 2.553 261 G HA2 -0.276 3.670 3.960 -0.024 0.000 0.218 261 G HA3 -0.276 3.670 3.960 -0.024 0.000 0.218 261 G C 1.816 176.639 174.900 -0.129 0.000 1.195 261 G CA 1.458 46.510 45.100 -0.080 0.000 0.779 261 G HN 0.458 nan 8.290 nan 0.000 0.577 262 S N 0.431 116.055 115.700 -0.127 0.000 2.356 262 S HA -0.122 4.333 4.470 -0.024 0.000 0.223 262 S C 2.182 176.716 174.600 -0.110 0.000 1.032 262 S CA 1.192 59.334 58.200 -0.095 0.000 1.005 262 S CB -0.421 62.736 63.200 -0.072 0.000 0.867 262 S HN 0.268 nan 8.310 nan 0.000 0.449 263 L N 2.357 123.501 121.223 -0.132 0.000 1.971 263 L HA -0.112 4.214 4.340 -0.024 0.000 0.215 263 L C 2.010 178.818 176.870 -0.102 0.000 1.072 263 L CA 1.749 56.548 54.840 -0.068 0.000 0.758 263 L CB -0.942 41.116 42.059 -0.002 0.000 0.889 263 L HN 0.304 nan 8.230 nan 0.000 0.433 264 L N -0.777 120.326 121.223 -0.200 0.000 2.079 264 L HA -0.171 4.155 4.340 -0.024 0.000 0.210 264 L C 2.527 179.117 176.870 -0.467 0.000 1.081 264 L CA 1.353 55.992 54.840 -0.335 0.000 0.752 264 L CB -1.538 40.220 42.059 -0.503 0.000 0.896 264 L HN 0.515 nan 8.230 nan 0.000 0.433 265 G N 0.026 108.533 108.800 -0.487 0.000 2.402 265 G HA2 -0.167 3.779 3.960 -0.024 0.000 0.216 265 G HA3 -0.167 3.779 3.960 -0.024 0.000 0.216 265 G C 1.655 176.534 174.900 -0.035 0.000 1.162 265 G CA 0.338 45.316 45.100 -0.202 0.000 0.777 265 G HN 0.217 nan 8.290 nan 0.000 0.539 266 L N 0.064 121.285 121.223 -0.002 0.000 2.131 266 L HA 0.020 4.346 4.340 -0.024 0.000 0.210 266 L C 2.781 179.737 176.870 0.142 0.000 1.092 266 L CA 0.524 55.443 54.840 0.131 0.000 0.759 266 L CB -0.256 41.869 42.059 0.111 0.000 0.903 266 L HN 0.201 nan 8.230 nan 0.000 0.435 267 I N -0.433 120.167 120.570 0.049 0.000 2.252 267 I HA -0.285 3.871 4.170 -0.024 0.000 0.245 267 I C 2.626 178.783 176.117 0.066 0.000 1.102 267 I CA 1.340 62.672 61.300 0.053 0.000 1.385 267 I CB -0.183 37.829 38.000 0.020 0.000 1.064 267 I HN 0.331 nan 8.210 nan 0.000 0.414 268 E N 1.270 121.502 120.200 0.052 0.000 2.072 268 E HA -0.254 4.082 4.350 -0.024 0.000 0.190 268 E C 2.221 178.836 176.600 0.025 0.000 0.982 268 E CA 0.956 57.389 56.400 0.056 0.000 0.803 268 E CB 0.112 29.863 29.700 0.085 0.000 0.755 268 E HN 0.304 nan 8.360 nan 0.000 0.453 269 K N -0.353 120.049 120.400 0.002 0.000 2.002 269 K HA -0.176 4.130 4.320 -0.024 0.000 0.209 269 K C 1.311 177.780 176.600 -0.219 0.000 1.048 269 K CA 1.596 57.805 56.287 -0.131 0.000 0.930 269 K CB -0.143 32.239 32.500 -0.195 0.000 0.714 269 K HN 0.181 nan 8.250 nan 0.000 0.438 270 Y N 0.973 121.281 120.300 0.013 0.000 2.468 270 Y HA 0.175 4.711 4.550 -0.023 0.000 0.268 270 Y C -0.238 175.670 175.900 0.014 0.000 1.177 270 Y CA -0.156 57.952 58.100 0.014 0.000 1.265 270 Y CB 0.668 39.135 38.460 0.011 0.000 1.103 270 Y HN -0.017 nan 8.280 nan 0.000 0.522 271 K N -0.544 119.927 120.400 0.118 0.000 3.150 271 K HA -0.159 4.147 4.320 -0.024 0.000 0.267 271 K C -0.485 176.161 176.600 0.076 0.000 1.028 271 K CA 0.293 56.629 56.287 0.080 0.000 0.753 271 K CB -2.337 30.203 32.500 0.067 0.000 1.288 271 K HN 0.106 nan 8.250 nan 0.000 0.473 272 V N 1.596 121.555 119.914 0.075 0.000 2.617 272 V HA -0.044 4.061 4.120 -0.024 0.000 0.304 272 V C 1.789 177.879 176.094 -0.007 0.000 1.040 272 V CA 1.169 63.487 62.300 0.029 0.000 1.149 272 V CB 1.293 33.123 31.823 0.012 0.000 0.914 272 V HN 0.647 nan 8.190 nan 0.000 0.487 273 S N 3.868 119.543 115.700 -0.042 0.000 2.549 273 S HA 0.395 4.851 4.470 -0.024 0.000 0.225 273 S C 0.182 174.686 174.600 -0.160 0.000 1.039 273 S CA -0.199 57.953 58.200 -0.081 0.000 0.942 273 S CB 0.305 63.460 63.200 -0.074 0.000 0.881 273 S HN 0.476 nan 8.310 nan 0.000 0.503 274 I N 2.190 122.653 120.570 -0.178 0.000 2.439 274 I HA 0.583 4.739 4.170 -0.024 0.000 0.283 274 I C -0.671 175.321 176.117 -0.207 0.000 1.023 274 I CA -0.872 60.272 61.300 -0.260 0.000 1.100 274 I CB 1.889 39.678 38.000 -0.352 0.000 1.238 274 I HN 0.243 nan 8.210 nan 0.000 0.445 275 A N 8.276 130.964 122.820 -0.220 0.000 2.511 275 A HA 0.674 4.980 4.320 -0.024 0.000 0.340 275 A C -2.655 174.816 177.584 -0.189 0.000 1.396 275 A CA -1.523 50.401 52.037 -0.189 0.000 0.887 275 A CB -0.062 18.820 19.000 -0.197 0.000 1.145 275 A HN 0.307 nan 8.150 nan 0.000 0.497 276 P HA 0.330 nan 4.420 nan 0.000 0.271 276 P C -0.176 177.048 177.300 -0.127 0.000 1.220 276 P CA 0.146 63.172 63.100 -0.124 0.000 0.768 276 P CB 1.219 32.853 31.700 -0.110 0.000 0.848 277 V N 1.512 121.356 119.914 -0.117 0.000 3.206 277 V HA 0.820 4.926 4.120 -0.024 0.000 0.305 277 V C -0.540 175.450 176.094 -0.175 0.000 1.257 277 V CA -1.145 61.053 62.300 -0.171 0.000 1.057 277 V CB 2.001 33.706 31.823 -0.195 0.000 1.075 277 V HN 0.332 nan 8.190 nan 0.000 0.443 278 V N -2.800 116.975 119.914 -0.232 0.000 2.960 278 V HA 0.698 4.803 4.120 -0.024 0.000 0.315 278 V C -2.050 173.916 176.094 -0.214 0.000 1.087 278 V CA -2.083 60.068 62.300 -0.249 0.000 0.982 278 V CB 1.221 32.850 31.823 -0.323 0.000 1.039 278 V HN 0.654 nan 8.190 nan 0.000 0.437 279 P HA -0.056 nan 4.420 nan 0.000 0.216 279 P C -1.630 175.587 177.300 -0.139 0.000 1.157 279 P CA 2.303 65.319 63.100 -0.139 0.000 0.880 279 P CB -1.039 30.587 31.700 -0.124 0.000 0.791 280 P HA -0.167 nan 4.420 nan 0.000 0.215 280 P C 1.817 179.024 177.300 -0.156 0.000 1.157 280 P CA 1.335 64.343 63.100 -0.153 0.000 0.868 280 P CB -0.660 30.930 31.700 -0.183 0.000 0.788 281 V N -2.550 117.204 119.914 -0.267 0.000 2.379 281 V HA -0.195 3.911 4.120 -0.024 0.000 0.245 281 V C 2.107 178.070 176.094 -0.220 0.000 1.044 281 V CA 1.976 64.030 62.300 -0.410 0.000 1.036 281 V CB -1.464 29.893 31.823 -0.777 0.000 0.664 281 V HN -0.048 nan 8.190 nan 0.000 0.453 282 M N 0.413 119.905 119.600 -0.181 0.000 2.159 282 M HA -0.087 4.379 4.480 -0.024 0.000 0.263 282 M C 2.136 178.428 176.300 -0.012 0.000 1.063 282 M CA 2.654 57.891 55.300 -0.105 0.000 1.110 282 M CB -0.915 31.619 32.600 -0.110 0.000 1.374 282 M HN 0.556 nan 8.290 nan 0.000 0.411 283 M N -1.295 118.293 119.600 -0.019 0.000 2.254 283 M HA -0.145 4.321 4.480 -0.024 0.000 0.265 283 M C 1.656 177.994 176.300 0.064 0.000 1.066 283 M CA 1.596 56.910 55.300 0.023 0.000 1.123 283 M CB -0.053 32.544 32.600 -0.005 0.000 1.388 283 M HN 0.239 nan 8.290 nan 0.000 0.425 284 S N 0.836 116.583 115.700 0.079 0.000 2.371 284 S HA -0.037 4.419 4.470 -0.024 0.000 0.224 284 S C 1.775 176.490 174.600 0.192 0.000 1.029 284 S CA 0.982 59.276 58.200 0.156 0.000 0.978 284 S CB -0.255 63.113 63.200 0.280 0.000 0.833 284 S HN 0.443 nan 8.310 nan 0.000 0.466 285 I N 2.193 122.889 120.570 0.210 0.000 2.226 285 I HA -0.139 4.017 4.170 -0.024 0.000 0.245 285 I C 2.703 178.988 176.117 0.281 0.000 1.100 285 I CA 1.250 62.694 61.300 0.239 0.000 1.374 285 I CB -1.687 36.406 38.000 0.155 0.000 1.057 285 I HN 0.233 nan 8.210 nan 0.000 0.413 286 A N 0.585 123.560 122.820 0.259 0.000 2.019 286 A HA -0.180 4.126 4.320 -0.024 0.000 0.219 286 A C 2.135 179.796 177.584 0.127 0.000 1.164 286 A CA 1.291 53.477 52.037 0.248 0.000 0.644 286 A CB -0.458 18.662 19.000 0.199 0.000 0.805 286 A HN 0.394 nan 8.150 nan 0.000 0.449 287 K N 0.241 120.707 120.400 0.110 0.000 2.458 287 K HA 0.116 4.422 4.320 -0.024 0.000 0.194 287 K C 0.408 177.049 176.600 0.069 0.000 1.024 287 K CA 0.052 56.383 56.287 0.072 0.000 1.108 287 K CB 0.165 32.703 32.500 0.064 0.000 0.846 287 K HN 0.298 nan 8.250 nan 0.000 0.518 288 S N 2.369 118.124 115.700 0.092 0.000 2.510 288 S HA 0.114 4.570 4.470 -0.024 0.000 0.279 288 S C -1.428 173.206 174.600 0.056 0.000 1.284 288 S CA -1.474 56.776 58.200 0.083 0.000 1.059 288 S CB 0.702 63.972 63.200 0.117 0.000 0.901 288 S HN 0.107 nan 8.310 nan 0.000 0.491 289 P HA 0.146 nan 4.420 nan 0.000 0.245 289 P C -0.261 177.055 177.300 0.027 0.000 1.206 289 P CA 0.380 63.495 63.100 0.025 0.000 0.781 289 P CB 0.166 31.877 31.700 0.018 0.000 0.994 290 D N -0.124 120.310 120.400 0.057 0.000 2.463 290 D HA 0.158 4.784 4.640 -0.024 0.000 0.224 290 D C 1.721 178.095 176.300 0.124 0.000 1.174 290 D CA -0.159 53.883 54.000 0.070 0.000 0.829 290 D CB 0.236 41.100 40.800 0.107 0.000 0.993 290 D HN 0.212 nan 8.370 nan 0.000 0.497 291 L N 1.109 122.388 121.223 0.093 0.000 2.191 291 L HA -0.146 4.180 4.340 -0.024 0.000 0.212 291 L C 2.017 178.933 176.870 0.075 0.000 1.103 291 L CA 1.148 56.053 54.840 0.107 0.000 0.769 291 L CB -0.208 41.855 42.059 0.005 0.000 0.908 291 L HN 0.070 nan 8.230 nan 0.000 0.438 292 D N -0.294 120.114 120.400 0.014 0.000 2.340 292 D HA -0.114 4.512 4.640 -0.024 0.000 0.220 292 D C 1.266 177.530 176.300 -0.061 0.000 1.039 292 D CA 0.322 54.313 54.000 -0.015 0.000 0.866 292 D CB 0.043 40.826 40.800 -0.028 0.000 0.913 292 D HN 0.296 nan 8.370 nan 0.000 0.523 293 K N -0.021 120.296 120.400 -0.137 0.000 2.417 293 K HA 0.090 4.396 4.320 -0.024 0.000 0.196 293 K C -0.031 176.204 176.600 -0.608 0.000 1.023 293 K CA 0.140 56.217 56.287 -0.349 0.000 1.122 293 K CB 0.306 32.546 32.500 -0.432 0.000 0.850 293 K HN 0.278 nan 8.250 nan 0.000 0.521 294 H N -0.397 118.686 119.070 0.022 0.000 2.996 294 H HA 0.093 4.635 4.556 -0.024 0.000 0.368 294 H C -1.383 173.966 175.328 0.035 0.000 1.185 294 H CA -1.055 55.010 56.048 0.029 0.000 1.160 294 H CB 1.831 31.619 29.762 0.042 0.000 1.820 294 H HN -0.048 nan 8.280 nan 0.000 0.547 295 D N 2.584 123.077 120.400 0.155 0.000 2.336 295 D HA 0.122 4.747 4.640 -0.024 0.000 0.249 295 D C 0.397 176.766 176.300 0.115 0.000 1.213 295 D CA -0.155 53.906 54.000 0.102 0.000 0.870 295 D CB 0.558 41.399 40.800 0.069 0.000 1.076 295 D HN 0.452 nan 8.370 nan 0.000 0.483 296 L N 2.930 124.225 121.223 0.119 0.000 2.910 296 L HA 0.053 4.379 4.340 -0.024 0.000 0.252 296 L C 1.970 178.906 176.870 0.109 0.000 1.195 296 L CA -0.150 54.768 54.840 0.129 0.000 1.003 296 L CB 0.130 42.307 42.059 0.197 0.000 1.328 296 L HN 0.303 nan 8.230 nan 0.000 0.540 297 S N -1.001 114.749 115.700 0.084 0.000 2.500 297 S HA -0.141 4.315 4.470 -0.024 0.000 0.239 297 S C 1.983 176.619 174.600 0.060 0.000 0.989 297 S CA 1.022 59.264 58.200 0.070 0.000 0.951 297 S CB -0.301 62.932 63.200 0.056 0.000 0.759 297 S HN 0.547 nan 8.310 nan 0.000 0.523 298 S N 0.619 116.352 115.700 0.055 0.000 2.489 298 S HA 0.194 4.650 4.470 -0.024 0.000 0.228 298 S C 0.501 175.115 174.600 0.023 0.000 0.995 298 S CA -0.343 57.882 58.200 0.042 0.000 0.934 298 S CB -0.674 62.552 63.200 0.043 0.000 0.771 298 S HN 0.404 nan 8.310 nan 0.000 0.522 299 L N 3.772 125.011 121.223 0.027 0.000 2.500 299 L HA 0.278 4.604 4.340 -0.024 0.000 0.272 299 L C 1.292 178.157 176.870 -0.008 0.000 1.149 299 L CA 0.081 54.916 54.840 -0.008 0.000 0.897 299 L CB 0.500 42.563 42.059 0.007 0.000 1.178 299 L HN 0.381 nan 8.230 nan 0.000 0.473 300 R N 3.974 124.438 120.500 -0.059 0.000 2.476 300 R HA 0.371 4.697 4.340 -0.024 0.000 0.276 300 R C -0.085 176.159 176.300 -0.094 0.000 0.941 300 R CA -0.229 55.838 56.100 -0.054 0.000 1.088 300 R CB 0.481 30.738 30.300 -0.073 0.000 1.216 300 R HN 0.542 nan 8.270 nan 0.000 0.533 301 M N 1.438 120.943 119.600 -0.157 0.000 2.333 301 M HA 0.333 4.799 4.480 -0.024 0.000 0.286 301 M C -2.074 174.076 176.300 -0.251 0.000 1.113 301 M CA -0.750 54.412 55.300 -0.231 0.000 0.959 301 M CB 2.214 34.537 32.600 -0.463 0.000 1.776 301 M HN -0.046 nan 8.290 nan 0.000 0.492 302 I N 4.544 125.015 120.570 -0.167 0.000 2.359 302 I HA 0.361 4.517 4.170 -0.024 0.000 0.284 302 I C -0.459 175.601 176.117 -0.094 0.000 1.018 302 I CA -0.319 60.886 61.300 -0.158 0.000 1.173 302 I CB 1.356 39.281 38.000 -0.124 0.000 1.326 302 I HN 0.720 nan 8.210 nan 0.000 0.462 303 K N 4.552 124.851 120.400 -0.167 0.000 2.292 303 K HA 0.363 4.668 4.320 -0.024 0.000 0.270 303 K C -0.254 176.345 176.600 -0.002 0.000 1.062 303 K CA -0.039 56.211 56.287 -0.062 0.000 0.916 303 K CB 0.947 33.322 32.500 -0.209 0.000 1.166 303 K HN 0.578 nan 8.250 nan 0.000 0.458 304 S N 2.312 118.035 115.700 0.039 0.000 2.608 304 S HA 0.871 5.327 4.470 -0.024 0.000 0.291 304 S C -0.350 174.224 174.600 -0.043 0.000 1.146 304 S CA -0.215 57.968 58.200 -0.029 0.000 1.043 304 S CB 1.414 64.585 63.200 -0.047 0.000 1.037 304 S HN 0.861 nan 8.310 nan 0.000 0.520 305 G N 0.289 109.001 108.800 -0.146 0.000 2.554 305 G HA2 0.528 4.474 3.960 -0.024 0.000 0.306 305 G HA3 0.528 4.474 3.960 -0.024 0.000 0.306 305 G C 0.453 175.139 174.900 -0.356 0.000 1.320 305 G CA 0.086 45.036 45.100 -0.249 0.000 0.800 305 G HN 1.775 nan 8.290 nan 0.000 0.481 306 G N -1.254 107.290 108.800 -0.427 0.000 2.396 306 G HA2 0.326 4.272 3.960 -0.024 0.000 0.242 306 G HA3 0.326 4.272 3.960 -0.024 0.000 0.242 306 G C 0.692 175.460 174.900 -0.220 0.000 1.069 306 G CA 1.633 46.502 45.100 -0.385 0.000 0.633 306 G HN 2.576 nan 8.290 nan 0.000 0.517 307 A N -0.278 122.431 122.820 -0.185 0.000 2.586 307 A HA 0.772 5.078 4.320 -0.024 0.000 0.291 307 A C -2.983 174.528 177.584 -0.123 0.000 1.062 307 A CA -0.089 51.867 52.037 -0.134 0.000 0.666 307 A CB 0.980 19.901 19.000 -0.132 0.000 1.281 307 A HN 0.573 nan 8.150 nan 0.000 0.421 308 P HA 0.326 nan 4.420 nan 0.000 0.275 308 P C 0.407 177.663 177.300 -0.073 0.000 1.228 308 P CA -0.218 62.830 63.100 -0.087 0.000 0.786 308 P CB 0.915 32.571 31.700 -0.072 0.000 0.927 309 L N 1.452 122.638 121.223 -0.061 0.000 2.044 309 L HA 0.153 4.479 4.340 -0.024 0.000 0.205 309 L C 1.263 178.115 176.870 -0.030 0.000 1.075 309 L CA 1.597 56.408 54.840 -0.047 0.000 0.747 309 L CB -0.891 41.148 42.059 -0.034 0.000 0.903 309 L HN 0.795 nan 8.230 nan 0.000 0.435 310 G N -0.327 108.461 108.800 -0.020 0.000 2.911 310 G HA2 -0.204 3.742 3.960 -0.024 0.000 0.686 310 G HA3 -0.204 3.742 3.960 -0.024 0.000 0.686 310 G C 0.158 175.060 174.900 0.003 0.000 1.136 310 G CA 0.005 45.100 45.100 -0.008 0.000 0.764 310 G HN 0.128 nan 8.290 nan 0.000 0.626 311 K N 0.398 120.804 120.400 0.010 0.000 2.089 311 K HA -0.187 4.119 4.320 -0.024 0.000 0.210 311 K C 2.098 178.707 176.600 0.014 0.000 1.048 311 K CA 2.375 58.671 56.287 0.015 0.000 0.926 311 K CB -0.124 32.385 32.500 0.015 0.000 0.714 311 K HN 0.687 nan 8.250 nan 0.000 0.448 312 E N 0.157 120.364 120.200 0.011 0.000 2.017 312 E HA -0.205 4.131 4.350 -0.024 0.000 0.193 312 E C 2.032 178.643 176.600 0.018 0.000 0.997 312 E CA 1.236 57.644 56.400 0.013 0.000 0.804 312 E CB -0.130 29.576 29.700 0.011 0.000 0.757 312 E HN 0.203 nan 8.360 nan 0.000 0.448 313 L N 1.660 122.892 121.223 0.016 0.000 2.083 313 L HA -0.187 4.138 4.340 -0.024 0.000 0.209 313 L C 2.104 178.994 176.870 0.033 0.000 1.083 313 L CA 1.822 56.675 54.840 0.023 0.000 0.752 313 L CB -0.352 41.713 42.059 0.010 0.000 0.899 313 L HN 0.107 nan 8.230 nan 0.000 0.433 314 E N -0.757 119.458 120.200 0.024 0.000 2.058 314 E HA -0.245 4.091 4.350 -0.024 0.000 0.194 314 E C 1.696 178.321 176.600 0.041 0.000 0.997 314 E CA 1.575 57.992 56.400 0.030 0.000 0.801 314 E CB 0.003 29.715 29.700 0.021 0.000 0.746 314 E HN 0.569 nan 8.360 nan 0.000 0.450 315 D N -0.510 119.910 120.400 0.034 0.000 2.144 315 D HA -0.108 4.518 4.640 -0.024 0.000 0.200 315 D C 1.944 178.267 176.300 0.038 0.000 0.978 315 D CA 1.357 55.377 54.000 0.032 0.000 0.833 315 D CB -0.345 40.468 40.800 0.022 0.000 0.961 315 D HN 0.191 nan 8.370 nan 0.000 0.470 316 T N 0.943 115.521 114.554 0.040 0.000 2.674 316 T HA -0.100 4.236 4.350 -0.024 0.000 0.265 316 T C 2.317 177.063 174.700 0.076 0.000 1.039 316 T CA 0.799 62.924 62.100 0.043 0.000 1.150 316 T CB -0.404 68.491 68.868 0.045 0.000 0.864 316 T HN -0.041 nan 8.240 nan 0.000 0.427 317 V N 1.239 121.230 119.914 0.128 0.000 2.295 317 V HA -0.166 3.940 4.120 -0.024 0.000 0.246 317 V C 2.651 178.888 176.094 0.237 0.000 1.049 317 V CA 1.691 64.143 62.300 0.254 0.000 1.024 317 V CB -0.571 31.363 31.823 0.185 0.000 0.648 317 V HN 0.339 nan 8.190 nan 0.000 0.447 318 R N -0.357 120.223 120.500 0.133 0.000 2.105 318 R HA -0.167 4.159 4.340 -0.024 0.000 0.239 318 R C 2.242 178.587 176.300 0.074 0.000 1.135 318 R CA 1.579 57.743 56.100 0.106 0.000 0.967 318 R CB -0.327 30.015 30.300 0.069 0.000 0.861 318 R HN 0.546 nan 8.270 nan 0.000 0.442 319 A N 0.591 123.435 122.820 0.040 0.000 1.898 319 A HA -0.082 4.224 4.320 -0.024 0.000 0.214 319 A C 1.756 179.295 177.584 -0.075 0.000 1.183 319 A CA 1.069 53.102 52.037 -0.008 0.000 0.622 319 A CB -0.052 18.941 19.000 -0.013 0.000 0.824 319 A HN 0.216 nan 8.150 nan 0.000 0.444 320 K N -1.750 118.562 120.400 -0.146 0.000 2.418 320 K HA 0.116 4.422 4.320 -0.024 0.000 0.195 320 K C -0.771 175.350 176.600 -0.799 0.000 1.035 320 K CA 0.429 56.445 56.287 -0.452 0.000 1.003 320 K CB 0.106 32.267 32.500 -0.564 0.000 0.793 320 K HN 0.468 nan 8.250 nan 0.000 0.494 321 F N 0.592 120.553 119.950 0.019 0.000 2.577 321 F HA 0.213 4.726 4.527 -0.023 0.000 0.342 321 F C -1.887 173.924 175.800 0.019 0.000 1.479 321 F CA -2.120 55.891 58.000 0.019 0.000 1.110 321 F CB 1.203 40.212 39.000 0.016 0.000 1.306 321 F HN -0.125 nan 8.300 nan 0.000 0.554 322 P HA -0.230 nan 4.420 nan 0.000 0.221 322 P C 1.253 178.604 177.300 0.084 0.000 1.145 322 P CA 1.321 64.465 63.100 0.072 0.000 0.795 322 P CB 0.269 31.987 31.700 0.030 0.000 0.775 323 Q N 0.078 119.939 119.800 0.102 0.000 2.378 323 Q HA 0.073 4.399 4.340 -0.024 0.000 0.205 323 Q C 0.735 176.789 176.000 0.090 0.000 0.954 323 Q CA 0.583 56.440 55.803 0.090 0.000 0.901 323 Q CB -0.468 28.326 28.738 0.093 0.000 0.981 323 Q HN 0.112 nan 8.270 nan 0.000 0.483 324 A N 1.328 124.217 122.820 0.115 0.000 2.311 324 A HA 0.613 4.918 4.320 -0.024 0.000 0.334 324 A C -0.697 176.940 177.584 0.088 0.000 1.139 324 A CA -0.857 51.226 52.037 0.077 0.000 0.830 324 A CB 1.021 20.051 19.000 0.050 0.000 1.234 324 A HN 0.275 nan 8.150 nan 0.000 0.483 325 R N 1.596 122.147 120.500 0.084 0.000 2.207 325 R HA 0.479 4.805 4.340 -0.024 0.000 0.334 325 R C -1.304 175.116 176.300 0.200 0.000 1.013 325 R CA -0.527 55.658 56.100 0.143 0.000 0.858 325 R CB 0.540 30.952 30.300 0.187 0.000 1.094 325 R HN 0.627 nan 8.270 nan 0.000 0.457 326 L N 3.960 125.280 121.223 0.162 0.000 2.312 326 L HA 0.688 5.014 4.340 -0.024 0.000 0.281 326 L C -0.426 176.547 176.870 0.173 0.000 1.070 326 L CA 0.360 55.296 54.840 0.160 0.000 0.805 326 L CB 1.649 43.764 42.059 0.093 0.000 1.174 326 L HN 0.795 nan 8.230 nan 0.000 0.434 327 G N 3.868 112.827 108.800 0.264 0.000 2.704 327 G HA2 0.573 4.519 3.960 -0.024 0.000 0.293 327 G HA3 0.573 4.519 3.960 -0.024 0.000 0.293 327 G C -1.884 173.080 174.900 0.106 0.000 1.421 327 G CA -0.600 44.536 45.100 0.060 0.000 0.870 327 G HN 0.574 nan 8.290 nan 0.000 0.492 328 Q N -0.678 119.102 119.800 -0.033 0.000 2.375 328 Q HA 0.659 4.985 4.340 -0.024 0.000 0.271 328 Q C -0.160 175.820 176.000 -0.033 0.000 1.074 328 Q CA -0.965 54.827 55.803 -0.019 0.000 0.808 328 Q CB 2.884 31.580 28.738 -0.070 0.000 1.327 328 Q HN 0.780 nan 8.270 nan 0.000 0.441 329 G N 0.526 109.337 108.800 0.018 0.000 3.013 329 G HA2 0.587 4.532 3.960 -0.024 0.000 0.278 329 G HA3 0.587 4.532 3.960 -0.024 0.000 0.278 329 G C -2.106 172.837 174.900 0.072 0.000 1.353 329 G CA -0.295 44.833 45.100 0.047 0.000 1.043 329 G HN 0.451 nan 8.290 nan 0.000 0.523 330 Y N -0.350 119.906 120.300 -0.073 0.000 2.396 330 Y HA 0.668 5.205 4.550 -0.022 0.000 0.332 330 Y C -0.186 175.686 175.900 -0.047 0.000 1.034 330 Y CA -1.085 56.957 58.100 -0.096 0.000 1.057 330 Y CB 1.637 40.031 38.460 -0.109 0.000 1.220 330 Y HN 0.904 nan 8.280 nan 0.000 0.440 331 G N 5.000 113.690 108.800 -0.183 0.000 2.642 331 G HA2 0.660 4.606 3.960 -0.024 0.000 0.293 331 G HA3 0.660 4.606 3.960 -0.024 0.000 0.293 331 G C -2.026 172.747 174.900 -0.211 0.000 1.341 331 G CA -1.150 43.787 45.100 -0.272 0.000 0.916 331 G HN 0.750 nan 8.290 nan 0.000 0.474 332 M N 1.101 120.613 119.600 -0.146 0.000 2.255 332 M HA 0.258 4.724 4.480 -0.024 0.000 0.275 332 M C 1.013 177.316 176.300 0.005 0.000 1.050 332 M CA -0.592 54.690 55.300 -0.030 0.000 0.978 332 M CB 1.655 34.228 32.600 -0.045 0.000 1.761 332 M HN 0.580 nan 8.290 nan 0.000 0.479 333 T N 1.993 116.579 114.554 0.053 0.000 2.602 333 T HA -0.236 4.100 4.350 -0.024 0.000 0.264 333 T C 0.918 175.605 174.700 -0.022 0.000 1.085 333 T CA 2.676 64.785 62.100 0.015 0.000 1.164 333 T CB -0.282 68.585 68.868 -0.002 0.000 0.860 333 T HN 0.792 nan 8.240 nan 0.000 0.442 334 E N 1.064 121.248 120.200 -0.026 0.000 2.401 334 E HA 0.109 4.445 4.350 -0.024 0.000 0.199 334 E C 2.009 178.563 176.600 -0.076 0.000 1.023 334 E CA 0.756 57.106 56.400 -0.084 0.000 0.859 334 E CB -0.296 29.348 29.700 -0.095 0.000 0.780 334 E HN 0.589 nan 8.360 nan 0.000 0.523 335 A N -0.637 122.148 122.820 -0.058 0.000 2.251 335 A HA 0.454 4.760 4.320 -0.024 0.000 0.209 335 A C 1.746 179.292 177.584 -0.063 0.000 1.187 335 A CA 0.753 52.749 52.037 -0.068 0.000 0.823 335 A CB -0.020 18.918 19.000 -0.103 0.000 0.846 335 A HN 0.299 nan 8.150 nan 0.000 0.486 336 G N -0.934 107.836 108.800 -0.050 0.000 2.284 336 G HA2 -0.167 3.779 3.960 -0.024 0.000 0.201 336 G HA3 -0.167 3.779 3.960 -0.024 0.000 0.201 336 G C -0.883 174.006 174.900 -0.018 0.000 0.998 336 G CA 0.279 45.355 45.100 -0.039 0.000 0.651 336 G HN 0.493 nan 8.290 nan 0.000 0.489 337 P HA 0.405 nan 4.420 nan 0.000 0.291 337 P C 0.300 177.585 177.300 -0.026 0.000 1.341 337 P CA -0.073 63.031 63.100 0.007 0.000 0.999 337 P CB 1.055 32.806 31.700 0.085 0.000 1.501 338 V N 1.836 121.747 119.914 -0.004 0.000 2.521 338 V HA 0.000 4.106 4.120 -0.024 0.000 0.286 338 V C 1.753 177.787 176.094 -0.100 0.000 1.034 338 V CA 0.506 62.792 62.300 -0.024 0.000 1.045 338 V CB 0.603 32.442 31.823 0.027 0.000 0.974 338 V HN -0.077 nan 8.190 nan 0.000 0.480 339 L N 4.331 125.433 121.223 -0.200 0.000 2.435 339 L HA 0.549 4.875 4.340 -0.024 0.000 0.195 339 L C 0.987 177.812 176.870 -0.075 0.000 1.072 339 L CA 1.167 55.889 54.840 -0.197 0.000 0.833 339 L CB -0.202 41.595 42.059 -0.437 0.000 1.081 339 L HN 0.718 nan 8.230 nan 0.000 0.485 340 A N -0.032 122.767 122.820 -0.035 0.000 2.401 340 A HA 0.807 5.113 4.320 -0.024 0.000 0.310 340 A C -1.023 176.570 177.584 0.016 0.000 1.075 340 A CA -0.291 51.755 52.037 0.016 0.000 0.746 340 A CB 1.619 20.659 19.000 0.066 0.000 1.277 340 A HN 0.080 nan 8.150 nan 0.000 0.425 341 M N 2.114 121.707 119.600 -0.012 0.000 2.378 341 M HA 0.405 4.870 4.480 -0.024 0.000 0.289 341 M C -1.052 175.207 176.300 -0.068 0.000 1.136 341 M CA -0.423 54.883 55.300 0.009 0.000 0.917 341 M CB 1.651 34.286 32.600 0.058 0.000 1.669 341 M HN 0.847 nan 8.290 nan 0.000 0.461 342 C N 5.689 124.913 119.300 -0.127 0.000 2.616 342 C HA 0.117 4.563 4.460 -0.024 0.000 0.402 342 C C 1.466 176.243 174.990 -0.356 0.000 1.436 342 C CA -0.006 58.792 59.018 -0.367 0.000 1.521 342 C CB -1.394 25.884 27.740 -0.770 0.000 2.413 342 C HN 0.955 nan 8.230 nan 0.000 0.617 343 L N 5.283 126.369 121.223 -0.229 0.000 2.610 343 L HA 0.017 4.343 4.340 -0.024 0.000 0.232 343 L C 2.341 179.211 176.870 0.000 0.000 1.149 343 L CA 0.753 55.554 54.840 -0.066 0.000 0.872 343 L CB -0.373 41.621 42.059 -0.109 0.000 0.992 343 L HN 0.914 nan 8.230 nan 0.000 0.447 344 A N -0.736 121.935 122.820 -0.248 0.000 2.206 344 A HA -0.026 4.280 4.320 -0.024 0.000 0.211 344 A C 1.485 179.062 177.584 -0.011 0.000 1.158 344 A CA 0.688 52.627 52.037 -0.163 0.000 0.761 344 A CB -0.318 18.517 19.000 -0.275 0.000 0.801 344 A HN 0.343 nan 8.150 nan 0.000 0.473 345 F N -0.256 119.724 119.950 0.051 0.000 2.749 345 F HA 0.452 4.964 4.527 -0.025 0.000 0.300 345 F C 1.527 177.378 175.800 0.085 0.000 1.103 345 F CA -0.806 57.213 58.000 0.032 0.000 1.342 345 F CB -0.970 38.021 39.000 -0.014 0.000 1.098 345 F HN 0.164 nan 8.300 nan 0.000 0.586 346 A N 0.744 123.717 122.820 0.256 0.000 2.409 346 A HA 0.064 4.370 4.320 -0.024 0.000 0.246 346 A C 1.904 179.567 177.584 0.132 0.000 1.099 346 A CA -0.124 52.047 52.037 0.223 0.000 0.789 346 A CB 0.214 19.363 19.000 0.248 0.000 1.053 346 A HN 0.306 nan 8.150 nan 0.000 0.503 347 K N -0.280 120.135 120.400 0.025 0.000 2.057 347 K HA -0.123 4.183 4.320 -0.024 0.000 0.207 347 K C -0.050 176.412 176.600 -0.230 0.000 1.049 347 K CA 1.772 57.842 56.287 -0.363 0.000 0.931 347 K CB -0.058 32.142 32.500 -0.500 0.000 0.714 347 K HN 0.770 nan 8.250 nan 0.000 0.440 348 E N 2.412 122.541 120.200 -0.119 0.000 2.546 348 E HA 0.202 4.537 4.350 -0.024 0.000 0.227 348 E C -2.460 174.042 176.600 -0.165 0.000 1.009 348 E CA -2.178 54.130 56.400 -0.153 0.000 0.813 348 E CB 1.398 30.995 29.700 -0.171 0.000 1.269 348 E HN 0.282 nan 8.360 nan 0.000 0.432 349 P HA -0.039 nan 4.420 nan 0.000 0.268 349 P C -0.703 176.508 177.300 -0.149 0.000 1.208 349 P CA 0.320 63.415 63.100 -0.010 0.000 0.777 349 P CB 0.657 32.373 31.700 0.027 0.000 0.875 350 F N -0.245 119.686 119.950 -0.033 0.000 2.523 350 F HA 0.275 4.788 4.527 -0.023 0.000 0.329 350 F C 1.138 176.910 175.800 -0.046 0.000 1.061 350 F CA -0.644 57.336 58.000 -0.033 0.000 0.967 350 F CB 0.953 39.931 39.000 -0.035 0.000 1.218 350 F HN 0.156 nan 8.300 nan 0.000 0.480 351 D N 2.602 123.094 120.400 0.153 0.000 2.362 351 D HA 0.281 4.907 4.640 -0.024 0.000 0.242 351 D C -0.234 176.097 176.300 0.052 0.000 1.132 351 D CA 0.362 54.405 54.000 0.071 0.000 0.907 351 D CB 1.239 42.074 40.800 0.058 0.000 1.195 351 D HN 0.288 nan 8.370 nan 0.000 0.429 352 I N -2.682 117.890 120.570 0.004 0.000 2.934 352 I HA 0.492 4.648 4.170 -0.024 0.000 0.306 352 I C -0.718 175.398 176.117 -0.002 0.000 1.110 352 I CA -0.944 60.335 61.300 -0.034 0.000 1.019 352 I CB 1.903 39.832 38.000 -0.117 0.000 1.227 352 I HN 0.123 nan 8.210 nan 0.000 0.434 353 K N 3.190 123.603 120.400 0.021 0.000 2.166 353 K HA 0.635 4.941 4.320 -0.024 0.000 0.245 353 K C -2.637 174.011 176.600 0.080 0.000 0.967 353 K CA -1.590 54.750 56.287 0.087 0.000 0.863 353 K CB 1.100 33.725 32.500 0.208 0.000 1.107 353 K HN 0.386 nan 8.250 nan 0.000 0.436 354 P HA -0.018 nan 4.420 nan 0.000 0.269 354 P C 0.555 177.943 177.300 0.146 0.000 1.209 354 P CA 0.703 63.849 63.100 0.076 0.000 0.776 354 P CB 0.521 32.258 31.700 0.062 0.000 0.876 355 G N 1.155 110.006 108.800 0.086 0.000 2.245 355 G HA2 -0.251 3.695 3.960 -0.024 0.000 0.264 355 G HA3 -0.251 3.695 3.960 -0.024 0.000 0.264 355 G C 0.549 175.449 174.900 -0.001 0.000 0.985 355 G CA 0.125 45.298 45.100 0.122 0.000 0.625 355 G HN 0.866 nan 8.290 nan 0.000 0.536 356 A N -0.967 121.749 122.820 -0.173 0.000 2.507 356 A HA 0.461 4.766 4.320 -0.024 0.000 0.235 356 A C 1.549 178.829 177.584 -0.506 0.000 1.070 356 A CA 0.987 52.596 52.037 -0.713 0.000 0.768 356 A CB 0.545 19.257 19.000 -0.480 0.000 1.011 356 A HN 1.368 nan 8.150 nan 0.000 0.502 357 C N 0.934 119.865 119.300 -0.615 0.000 3.038 357 C HA 0.580 5.025 4.460 -0.024 0.000 0.279 357 C C 1.184 176.025 174.990 -0.249 0.000 1.276 357 C CA 0.979 59.773 59.018 -0.373 0.000 1.697 357 C CB -1.949 25.535 27.740 -0.427 0.000 2.032 357 C HN 1.963 nan 8.230 nan 0.000 0.636 358 G N 0.521 109.140 108.800 -0.303 0.000 2.526 358 G HA2 -0.007 3.939 3.960 -0.024 0.000 0.250 358 G HA3 -0.007 3.939 3.960 -0.024 0.000 0.250 358 G C -0.586 174.189 174.900 -0.208 0.000 1.289 358 G CA -0.107 44.863 45.100 -0.217 0.000 0.947 358 G HN 0.322 nan 8.290 nan 0.000 0.517 359 T N -0.302 114.158 114.554 -0.157 0.000 2.863 359 T HA 0.605 4.941 4.350 -0.024 0.000 0.285 359 T C 0.406 175.059 174.700 -0.078 0.000 1.009 359 T CA 0.319 62.334 62.100 -0.141 0.000 0.989 359 T CB 2.019 70.777 68.868 -0.185 0.000 1.004 359 T HN 1.732 nan 8.240 nan 0.000 0.455 360 V N 4.920 124.807 119.914 -0.045 0.000 2.720 360 V HA 0.120 4.226 4.120 -0.024 0.000 0.307 360 V C 0.688 176.777 176.094 -0.009 0.000 1.071 360 V CA 0.006 62.305 62.300 -0.001 0.000 1.199 360 V CB 0.024 31.875 31.823 0.047 0.000 0.900 360 V HN 0.735 nan 8.190 nan 0.000 0.494 361 V N 6.140 126.051 119.914 -0.005 0.000 2.999 361 V HA 0.320 4.425 4.120 -0.024 0.000 0.307 361 V C 0.757 176.852 176.094 0.002 0.000 1.084 361 V CA -0.151 62.147 62.300 -0.004 0.000 1.155 361 V CB 0.005 31.826 31.823 -0.003 0.000 0.975 361 V HN 1.137 nan 8.190 nan 0.000 0.490 362 R N 2.299 122.801 120.500 0.004 0.000 2.801 362 R HA 0.266 4.591 4.340 -0.024 0.000 0.273 362 R C 0.498 176.797 176.300 -0.000 0.000 1.080 362 R CA 0.184 56.289 56.100 0.008 0.000 1.197 362 R CB -0.283 30.029 30.300 0.019 0.000 1.109 362 R HN 0.887 nan 8.270 nan 0.000 0.535 363 N N -1.137 117.562 118.700 -0.001 0.000 2.735 363 N HA -0.234 4.491 4.740 -0.024 0.000 0.248 363 N C -1.141 174.351 175.510 -0.030 0.000 1.083 363 N CA 0.944 53.982 53.050 -0.020 0.000 0.703 363 N CB -0.716 37.750 38.487 -0.036 0.000 1.005 363 N HN 0.774 nan 8.380 nan 0.000 0.550 364 A N 0.115 122.927 122.820 -0.012 0.000 2.599 364 A HA 0.723 5.029 4.320 -0.024 0.000 0.290 364 A C -1.275 176.327 177.584 0.029 0.000 1.101 364 A CA -0.714 51.315 52.037 -0.014 0.000 0.674 364 A CB 1.621 20.617 19.000 -0.005 0.000 1.277 364 A HN 0.167 nan 8.150 nan 0.000 0.419 365 E N -0.220 120.009 120.200 0.049 0.000 2.317 365 E HA 0.653 4.988 4.350 -0.024 0.000 0.270 365 E C -1.106 175.722 176.600 0.380 0.000 0.885 365 E CA -0.532 55.980 56.400 0.186 0.000 0.760 365 E CB 2.605 32.397 29.700 0.153 0.000 1.227 365 E HN 0.655 nan 8.360 nan 0.000 0.434 366 M N 2.701 122.564 119.600 0.438 0.000 2.446 366 M HA 0.413 4.879 4.480 -0.024 0.000 0.294 366 M C -1.971 174.512 176.300 0.305 0.000 1.158 366 M CA -0.462 55.073 55.300 0.392 0.000 0.899 366 M CB 1.875 34.617 32.600 0.237 0.000 1.687 366 M HN 0.573 nan 8.290 nan 0.000 0.455 367 K N 3.584 124.005 120.400 0.034 0.000 2.466 367 K HA 0.708 5.014 4.320 -0.024 0.000 0.260 367 K C -1.698 174.865 176.600 -0.061 0.000 1.011 367 K CA -1.014 55.242 56.287 -0.051 0.000 0.871 367 K CB 1.901 34.104 32.500 -0.495 0.000 1.404 367 K HN 0.561 nan 8.250 nan 0.000 0.450 368 I N 2.536 123.115 120.570 0.015 0.000 2.418 368 I HA 0.289 4.444 4.170 -0.024 0.000 0.287 368 I C -0.178 175.924 176.117 -0.026 0.000 1.008 368 I CA -0.876 60.420 61.300 -0.006 0.000 1.104 368 I CB 1.247 39.270 38.000 0.039 0.000 1.264 368 I HN 0.660 nan 8.210 nan 0.000 0.438 369 V N 2.175 122.059 119.914 -0.050 0.000 2.715 369 V HA 0.563 4.669 4.120 -0.024 0.000 0.310 369 V C -0.123 175.980 176.094 0.015 0.000 1.054 369 V CA -0.747 61.539 62.300 -0.024 0.000 0.928 369 V CB 2.413 34.211 31.823 -0.041 0.000 1.007 369 V HN 0.718 nan 8.190 nan 0.000 0.437 370 D N 4.190 124.605 120.400 0.025 0.000 2.358 370 D HA 0.250 4.876 4.640 -0.024 0.000 0.258 370 D C -1.703 174.620 176.300 0.039 0.000 1.223 370 D CA -1.381 52.636 54.000 0.028 0.000 0.886 370 D CB 2.010 42.826 40.800 0.027 0.000 1.120 370 D HN 0.419 nan 8.370 nan 0.000 0.482 371 P HA -0.133 nan 4.420 nan 0.000 0.218 371 P C 0.887 178.211 177.300 0.040 0.000 1.146 371 P CA 1.023 64.154 63.100 0.051 0.000 0.813 371 P CB 0.466 32.194 31.700 0.045 0.000 0.778 372 E N -1.124 119.093 120.200 0.030 0.000 2.035 372 E HA -0.099 4.237 4.350 -0.024 0.000 0.191 372 E C 2.032 178.646 176.600 0.023 0.000 0.966 372 E CA 1.596 58.010 56.400 0.023 0.000 0.823 372 E CB -0.398 29.313 29.700 0.017 0.000 0.791 372 E HN 0.168 nan 8.360 nan 0.000 0.459 373 T N -2.620 111.949 114.554 0.024 0.000 2.821 373 T HA 0.026 4.362 4.350 -0.024 0.000 0.267 373 T C 1.624 176.341 174.700 0.028 0.000 1.046 373 T CA 1.413 63.527 62.100 0.024 0.000 1.139 373 T CB -0.172 68.710 68.868 0.024 0.000 0.871 373 T HN 0.460 nan 8.240 nan 0.000 0.454 374 G N 1.259 110.080 108.800 0.035 0.000 2.175 374 G HA2 0.004 3.949 3.960 -0.024 0.000 0.244 374 G HA3 0.004 3.949 3.960 -0.024 0.000 0.244 374 G C 0.310 175.225 174.900 0.026 0.000 0.982 374 G CA 0.072 45.197 45.100 0.042 0.000 0.641 374 G HN 1.235 nan 8.290 nan 0.000 0.527 375 A N 0.401 123.237 122.820 0.027 0.000 2.386 375 A HA 0.691 4.997 4.320 -0.024 0.000 0.248 375 A C 1.016 178.622 177.584 0.038 0.000 1.082 375 A CA 0.964 53.020 52.037 0.032 0.000 0.789 375 A CB 0.356 19.384 19.000 0.047 0.000 1.025 375 A HN 1.940 nan 8.150 nan 0.000 0.490 376 S N 1.536 117.271 115.700 0.057 0.000 2.537 376 S HA 0.618 5.074 4.470 -0.024 0.000 0.275 376 S C -0.266 174.485 174.600 0.251 0.000 1.272 376 S CA -0.584 57.675 58.200 0.099 0.000 1.050 376 S CB 0.293 63.536 63.200 0.071 0.000 0.961 376 S HN 0.522 nan 8.310 nan 0.000 0.496 377 L N 3.377 124.694 121.223 0.156 0.000 2.352 377 L HA 0.629 4.955 4.340 -0.024 0.000 0.269 377 L C -1.910 174.848 176.870 -0.187 0.000 1.034 377 L CA -2.535 52.320 54.840 0.025 0.000 0.806 377 L CB 1.578 43.635 42.059 -0.002 0.000 1.244 377 L HN 0.511 nan 8.230 nan 0.000 0.447 378 P HA 0.258 nan 4.420 nan 0.000 0.306 378 P C -0.926 176.302 177.300 -0.119 0.000 1.309 378 P CA -0.795 61.837 63.100 -0.780 0.000 0.759 378 P CB 0.653 31.674 31.700 -1.132 0.000 1.314 379 R N -0.346 120.185 120.500 0.052 0.000 2.756 379 R HA -0.012 4.314 4.340 -0.024 0.000 0.264 379 R C 0.404 176.686 176.300 -0.030 0.000 1.026 379 R CA 0.578 56.718 56.100 0.067 0.000 1.121 379 R CB -0.889 29.478 30.300 0.112 0.000 0.999 379 R HN 0.529 nan 8.270 nan 0.000 0.449 380 N N 0.542 119.242 118.700 -0.001 0.000 2.727 380 N HA -0.185 4.541 4.740 -0.024 0.000 0.249 380 N C -1.244 174.137 175.510 -0.215 0.000 1.048 380 N CA 0.713 53.668 53.050 -0.158 0.000 0.714 380 N CB -0.502 37.868 38.487 -0.194 0.000 0.959 380 N HN 0.454 nan 8.380 nan 0.000 0.544 381 Q N -0.736 119.009 119.800 -0.092 0.000 2.337 381 Q HA 0.355 4.681 4.340 -0.024 0.000 0.264 381 Q C -2.627 173.375 176.000 0.003 0.000 1.007 381 Q CA -1.551 54.203 55.803 -0.081 0.000 0.727 381 Q CB 1.797 30.487 28.738 -0.080 0.000 1.256 381 Q HN 0.094 nan 8.270 nan 0.000 0.467 382 P HA 0.308 nan 4.420 nan 0.000 0.266 382 P C -0.098 177.225 177.300 0.039 0.000 1.195 382 P CA 0.317 63.460 63.100 0.072 0.000 0.768 382 P CB 0.898 32.624 31.700 0.044 0.000 0.838 383 G N 1.011 109.837 108.800 0.043 0.000 2.428 383 G HA2 0.253 4.198 3.960 -0.024 0.000 0.304 383 G HA3 0.253 4.198 3.960 -0.024 0.000 0.304 383 G C -1.639 173.274 174.900 0.022 0.000 1.303 383 G CA -0.549 44.567 45.100 0.027 0.000 0.825 383 G HN 0.479 nan 8.290 nan 0.000 0.484 384 E N -0.175 120.038 120.200 0.021 0.000 2.289 384 E HA 0.388 4.723 4.350 -0.024 0.000 0.278 384 E C -0.118 176.474 176.600 -0.014 0.000 1.032 384 E CA -0.475 55.939 56.400 0.024 0.000 0.854 384 E CB 0.622 30.360 29.700 0.063 0.000 1.046 384 E HN 0.303 nan 8.360 nan 0.000 0.409 385 I N 4.831 125.405 120.570 0.007 0.000 2.452 385 I HA 0.085 4.241 4.170 -0.024 0.000 0.287 385 I C -0.352 175.758 176.117 -0.012 0.000 1.079 385 I CA -0.444 60.865 61.300 0.016 0.000 1.387 385 I CB 0.508 38.563 38.000 0.092 0.000 1.404 385 I HN 0.504 nan 8.210 nan 0.000 0.522 386 C N 7.068 126.332 119.300 -0.060 0.000 2.507 386 C HA 0.684 5.130 4.460 -0.024 0.000 0.319 386 C C -0.039 175.068 174.990 0.195 0.000 1.208 386 C CA -0.760 58.221 59.018 -0.062 0.000 1.619 386 C CB 1.415 28.945 27.740 -0.350 0.000 2.230 386 C HN 0.693 nan 8.230 nan 0.000 0.492 387 I N 2.376 123.124 120.570 0.296 0.000 2.828 387 I HA 0.689 4.845 4.170 -0.024 0.000 0.302 387 I C -0.752 175.503 176.117 0.229 0.000 1.101 387 I CA -0.468 61.018 61.300 0.309 0.000 1.031 387 I CB 1.468 39.537 38.000 0.116 0.000 1.231 387 I HN 0.756 nan 8.210 nan 0.000 0.427 388 R N 4.847 125.355 120.500 0.013 0.000 2.604 388 R HA 0.779 5.104 4.340 -0.024 0.000 0.281 388 R C -1.330 174.841 176.300 -0.215 0.000 1.020 388 R CA -0.379 55.543 56.100 -0.298 0.000 0.899 388 R CB 2.155 31.853 30.300 -1.003 0.000 1.205 388 R HN 0.912 nan 8.270 nan 0.000 0.450 389 G N 1.665 110.355 108.800 -0.183 0.000 2.316 389 G HA2 0.037 3.983 3.960 -0.024 0.000 0.296 389 G HA3 0.037 3.983 3.960 -0.024 0.000 0.296 389 G C -0.787 174.043 174.900 -0.116 0.000 1.399 389 G CA -0.584 44.435 45.100 -0.136 0.000 0.833 389 G HN 0.506 nan 8.290 nan 0.000 0.565 390 D N 0.212 120.550 120.400 -0.104 0.000 2.371 390 D HA -0.055 4.571 4.640 -0.024 0.000 0.221 390 D C 2.432 178.678 176.300 -0.089 0.000 0.986 390 D CA 1.016 54.958 54.000 -0.097 0.000 0.899 390 D CB 0.338 41.078 40.800 -0.100 0.000 0.902 390 D HN 0.528 nan 8.370 nan 0.000 0.530 391 Q N 1.063 120.813 119.800 -0.084 0.000 2.389 391 Q HA -0.062 4.264 4.340 -0.024 0.000 0.204 391 Q C 1.349 177.308 176.000 -0.069 0.000 0.944 391 Q CA 0.130 55.888 55.803 -0.074 0.000 0.908 391 Q CB -0.420 28.278 28.738 -0.066 0.000 1.002 391 Q HN 0.431 nan 8.270 nan 0.000 0.493 392 I N -0.419 120.107 120.570 -0.073 0.000 2.945 392 I HA 0.207 4.363 4.170 -0.024 0.000 0.292 392 I C 0.873 176.940 176.117 -0.083 0.000 1.093 392 I CA -1.082 60.174 61.300 -0.074 0.000 1.336 392 I CB 0.582 38.540 38.000 -0.069 0.000 1.435 392 I HN 0.074 nan 8.210 nan 0.000 0.593 393 M N 2.538 122.077 119.600 -0.102 0.000 2.243 393 M HA 0.085 4.551 4.480 -0.024 0.000 0.309 393 M C 0.812 177.041 176.300 -0.118 0.000 1.050 393 M CA 0.328 55.553 55.300 -0.125 0.000 1.139 393 M CB 0.359 32.839 32.600 -0.201 0.000 1.457 393 M HN 0.792 nan 8.290 nan 0.000 0.440 394 K N 0.968 121.304 120.400 -0.107 0.000 2.243 394 K HA 0.318 4.623 4.320 -0.024 0.000 0.201 394 K C 0.470 177.007 176.600 -0.105 0.000 1.051 394 K CA 1.028 57.265 56.287 -0.084 0.000 0.970 394 K CB 0.186 32.654 32.500 -0.053 0.000 0.755 394 K HN 1.027 nan 8.250 nan 0.000 0.465 395 G N -1.191 107.507 108.800 -0.171 0.000 2.359 395 G HA2 0.050 3.996 3.960 -0.024 0.000 0.293 395 G HA3 0.050 3.996 3.960 -0.024 0.000 0.293 395 G C -1.923 172.815 174.900 -0.271 0.000 1.300 395 G CA -0.976 43.992 45.100 -0.220 0.000 0.888 395 G HN 0.024 nan 8.290 nan 0.000 0.541 396 Y N -0.423 119.853 120.300 -0.039 0.000 2.299 396 Y HA 0.562 5.100 4.550 -0.020 0.000 0.326 396 Y C 0.909 176.775 175.900 -0.056 0.000 1.164 396 Y CA -0.568 57.492 58.100 -0.067 0.000 1.234 396 Y CB 1.537 39.963 38.460 -0.058 0.000 1.219 396 Y HN 0.555 nan 8.280 nan 0.000 0.497 397 L N 5.228 126.505 121.223 0.090 0.000 2.513 397 L HA 0.096 4.422 4.340 -0.024 0.000 0.272 397 L C 0.387 177.297 176.870 0.066 0.000 1.187 397 L CA -0.042 54.829 54.840 0.052 0.000 0.895 397 L CB -0.389 41.687 42.059 0.029 0.000 1.147 397 L HN 0.759 nan 8.230 nan 0.000 0.483 398 N N 3.052 121.787 118.700 0.058 0.000 2.710 398 N HA -0.258 4.468 4.740 -0.024 0.000 0.249 398 N C -0.489 175.050 175.510 0.049 0.000 1.059 398 N CA 1.219 54.299 53.050 0.050 0.000 0.720 398 N CB -0.962 37.555 38.487 0.049 0.000 0.983 398 N HN 0.729 nan 8.380 nan 0.000 0.544 399 D N -0.934 119.506 120.400 0.066 0.000 2.735 399 D HA 0.166 4.792 4.640 -0.024 0.000 0.291 399 D C -1.409 174.940 176.300 0.082 0.000 1.205 399 D CA -1.357 52.677 54.000 0.057 0.000 0.777 399 D CB 0.998 41.816 40.800 0.031 0.000 1.234 399 D HN 0.033 nan 8.370 nan 0.000 0.520 400 P HA -0.167 nan 4.420 nan 0.000 0.215 400 P C 1.136 178.473 177.300 0.061 0.000 1.153 400 P CA 1.038 64.174 63.100 0.060 0.000 0.853 400 P CB 0.719 32.443 31.700 0.039 0.000 0.788 401 E N 0.233 120.458 120.200 0.042 0.000 2.058 401 E HA -0.158 4.177 4.350 -0.024 0.000 0.194 401 E C 2.317 178.946 176.600 0.047 0.000 0.997 401 E CA 1.330 57.750 56.400 0.033 0.000 0.801 401 E CB -0.619 29.090 29.700 0.014 0.000 0.746 401 E HN 0.196 nan 8.360 nan 0.000 0.450 402 A N 1.177 124.022 122.820 0.041 0.000 1.865 402 A HA -0.229 4.077 4.320 -0.024 0.000 0.217 402 A C 2.450 180.179 177.584 0.241 0.000 1.191 402 A CA 2.232 54.290 52.037 0.036 0.000 0.623 402 A CB -1.108 17.791 19.000 -0.168 0.000 0.826 402 A HN 0.206 nan 8.150 nan 0.000 0.444 403 T N -0.513 114.234 114.554 0.321 0.000 2.684 403 T HA -0.159 4.176 4.350 -0.024 0.000 0.267 403 T C 2.237 177.016 174.700 0.132 0.000 1.036 403 T CA 1.836 64.085 62.100 0.247 0.000 1.148 403 T CB -0.442 68.502 68.868 0.127 0.000 0.863 403 T HN 0.541 nan 8.240 nan 0.000 0.436 404 S N 1.245 117.001 115.700 0.093 0.000 2.419 404 S HA -0.145 4.310 4.470 -0.024 0.000 0.235 404 S C 1.948 176.575 174.600 0.044 0.000 1.019 404 S CA 1.231 59.465 58.200 0.057 0.000 0.982 404 S CB -0.203 63.022 63.200 0.040 0.000 0.789 404 S HN 0.687 nan 8.310 nan 0.000 0.490 405 R N -0.760 119.774 120.500 0.056 0.000 2.362 405 R HA 0.253 4.579 4.340 -0.024 0.000 0.227 405 R C 1.080 177.404 176.300 0.039 0.000 0.905 405 R CA 0.708 56.821 56.100 0.022 0.000 1.067 405 R CB -0.275 30.035 30.300 0.017 0.000 1.078 405 R HN 0.226 nan 8.270 nan 0.000 0.516 406 T N 0.256 114.876 114.554 0.110 0.000 3.026 406 T HA 0.357 4.693 4.350 -0.024 0.000 0.245 406 T C 0.565 175.371 174.700 0.176 0.000 1.004 406 T CA 0.146 62.343 62.100 0.163 0.000 1.069 406 T CB 0.420 69.445 68.868 0.261 0.000 1.005 406 T HN 0.045 nan 8.240 nan 0.000 0.472 407 I N 3.820 124.469 120.570 0.132 0.000 2.382 407 I HA 0.310 4.466 4.170 -0.024 0.000 0.285 407 I C -0.544 175.655 176.117 0.137 0.000 1.007 407 I CA -1.104 60.287 61.300 0.152 0.000 1.142 407 I CB 1.515 39.554 38.000 0.066 0.000 1.289 407 I HN 0.252 nan 8.210 nan 0.000 0.453 408 D N 5.704 126.236 120.400 0.219 0.000 2.393 408 D HA 0.075 4.701 4.640 -0.024 0.000 0.246 408 D C 0.748 177.130 176.300 0.136 0.000 1.275 408 D CA -0.362 53.733 54.000 0.159 0.000 0.979 408 D CB 0.767 41.707 40.800 0.233 0.000 1.101 408 D HN 0.348 nan 8.370 nan 0.000 0.505 409 K N -0.813 119.654 120.400 0.111 0.000 2.360 409 K HA -0.136 4.169 4.320 -0.024 0.000 0.201 409 K C 0.711 177.365 176.600 0.089 0.000 1.046 409 K CA 1.172 57.508 56.287 0.083 0.000 0.940 409 K CB -0.153 32.388 32.500 0.069 0.000 0.748 409 K HN 0.498 nan 8.250 nan 0.000 0.465 410 E N -0.607 119.683 120.200 0.150 0.000 2.501 410 E HA 0.105 4.441 4.350 -0.024 0.000 0.200 410 E C 0.510 177.080 176.600 -0.050 0.000 1.016 410 E CA 0.048 56.513 56.400 0.109 0.000 0.921 410 E CB 1.027 30.883 29.700 0.259 0.000 1.034 410 E HN 0.393 nan 8.360 nan 0.000 0.468 411 G N 0.937 109.724 108.800 -0.022 0.000 2.176 411 G HA2 -0.256 3.690 3.960 -0.024 0.000 0.253 411 G HA3 -0.256 3.690 3.960 -0.024 0.000 0.253 411 G C -0.368 174.443 174.900 -0.149 0.000 0.979 411 G CA -0.330 44.692 45.100 -0.129 0.000 0.641 411 G HN 0.230 nan 8.290 nan 0.000 0.530 412 W N 0.087 121.427 121.300 0.067 0.000 2.287 412 W HA 0.661 5.315 4.660 -0.010 0.000 0.313 412 W C 0.486 177.068 176.519 0.105 0.000 1.267 412 W CA -0.990 56.387 57.345 0.053 0.000 1.201 412 W CB 0.865 30.342 29.460 0.028 0.000 1.196 412 W HN 0.211 nan 8.180 nan 0.000 0.536 413 L N 5.178 126.568 121.223 0.278 0.000 2.290 413 L HA 0.287 4.613 4.340 -0.024 0.000 0.284 413 L C -0.270 176.706 176.870 0.177 0.000 1.078 413 L CA -0.414 54.551 54.840 0.209 0.000 0.815 413 L CB -0.002 42.116 42.059 0.098 0.000 1.162 413 L HN 0.369 nan 8.230 nan 0.000 0.435 414 H N 4.199 123.351 119.070 0.137 0.000 2.640 414 H HA 0.152 4.692 4.556 -0.025 0.000 0.297 414 H C 0.696 176.089 175.328 0.109 0.000 1.073 414 H CA 0.472 56.591 56.048 0.118 0.000 1.305 414 H CB 1.186 31.008 29.762 0.101 0.000 1.404 414 H HN 0.840 nan 8.280 nan 0.000 0.459 415 T N -0.116 114.531 114.554 0.155 0.000 3.023 415 T HA 0.007 4.342 4.350 -0.024 0.000 0.266 415 T C 1.729 176.521 174.700 0.153 0.000 1.093 415 T CA 0.663 62.856 62.100 0.155 0.000 1.129 415 T CB 0.112 69.091 68.868 0.185 0.000 0.899 415 T HN 0.831 nan 8.240 nan 0.000 0.491 416 G N 1.262 110.150 108.800 0.146 0.000 2.162 416 G HA2 -0.186 3.759 3.960 -0.024 0.000 0.260 416 G HA3 -0.186 3.759 3.960 -0.024 0.000 0.260 416 G C -0.391 174.563 174.900 0.091 0.000 0.976 416 G CA 0.198 45.370 45.100 0.119 0.000 0.655 416 G HN 0.628 nan 8.290 nan 0.000 0.533 417 D N 0.181 120.634 120.400 0.090 0.000 2.198 417 D HA 0.568 5.194 4.640 -0.024 0.000 0.247 417 D C 0.338 176.648 176.300 0.018 0.000 1.010 417 D CA -0.384 53.642 54.000 0.044 0.000 0.880 417 D CB 1.496 42.316 40.800 0.034 0.000 1.209 417 D HN 0.009 nan 8.370 nan 0.000 0.451 418 I N 1.358 121.925 120.570 -0.005 0.000 2.377 418 I HA 0.569 4.724 4.170 -0.024 0.000 0.293 418 I C 0.891 176.994 176.117 -0.024 0.000 0.987 418 I CA -0.256 61.045 61.300 0.002 0.000 1.185 418 I CB 0.918 38.930 38.000 0.019 0.000 1.341 418 I HN 0.432 nan 8.210 nan 0.000 0.455 419 G N 5.790 114.583 108.800 -0.013 0.000 2.606 419 G HA2 0.673 4.619 3.960 -0.024 0.000 0.300 419 G HA3 0.673 4.619 3.960 -0.024 0.000 0.300 419 G C -2.046 172.874 174.900 0.034 0.000 1.360 419 G CA -0.460 44.611 45.100 -0.048 0.000 0.783 419 G HN 0.517 nan 8.290 nan 0.000 0.484 420 Y N -1.808 118.464 120.300 -0.047 0.000 2.609 420 Y HA 0.808 5.344 4.550 -0.024 0.000 0.336 420 Y C -1.242 174.599 175.900 -0.098 0.000 1.129 420 Y CA -1.727 56.322 58.100 -0.085 0.000 1.040 420 Y CB 1.203 39.619 38.460 -0.073 0.000 1.310 420 Y HN 0.531 nan 8.280 nan 0.000 0.460 421 I N 3.338 123.840 120.570 -0.113 0.000 2.404 421 I HA 0.300 4.455 4.170 -0.024 0.000 0.293 421 I C -0.755 175.356 176.117 -0.010 0.000 0.992 421 I CA -0.745 60.400 61.300 -0.259 0.000 1.149 421 I CB 1.546 39.077 38.000 -0.782 0.000 1.315 421 I HN 0.804 nan 8.210 nan 0.000 0.446 422 D N 3.616 124.091 120.400 0.125 0.000 2.478 422 D HA 0.081 4.707 4.640 -0.024 0.000 0.269 422 D C 0.515 176.866 176.300 0.085 0.000 1.232 422 D CA -0.428 53.672 54.000 0.167 0.000 1.059 422 D CB 0.615 41.566 40.800 0.251 0.000 1.104 422 D HN 0.371 nan 8.370 nan 0.000 0.566 423 D N -0.893 119.558 120.400 0.085 0.000 2.265 423 D HA -0.115 4.511 4.640 -0.024 0.000 0.208 423 D C 0.253 176.601 176.300 0.081 0.000 0.977 423 D CA 0.954 55.004 54.000 0.082 0.000 0.871 423 D CB -0.058 40.780 40.800 0.063 0.000 0.925 423 D HN 0.426 nan 8.370 nan 0.000 0.485 424 D N 0.710 121.156 120.400 0.076 0.000 2.342 424 D HA -0.018 4.607 4.640 -0.024 0.000 0.221 424 D C 0.007 176.316 176.300 0.015 0.000 1.101 424 D CA -0.028 54.007 54.000 0.059 0.000 0.837 424 D CB 0.351 41.192 40.800 0.068 0.000 0.938 424 D HN 0.039 nan 8.370 nan 0.000 0.508 425 D N 1.236 121.642 120.400 0.010 0.000 2.870 425 D HA -0.166 4.459 4.640 -0.024 0.000 0.228 425 D C -0.240 175.989 176.300 -0.119 0.000 1.147 425 D CA 0.847 54.819 54.000 -0.047 0.000 0.757 425 D CB -0.897 39.892 40.800 -0.019 0.000 1.091 425 D HN 0.464 nan 8.370 nan 0.000 0.429 426 E N 0.044 120.182 120.200 -0.104 0.000 2.156 426 E HA 0.379 4.715 4.350 -0.024 0.000 0.279 426 E C 0.070 176.467 176.600 -0.339 0.000 0.965 426 E CA -0.876 55.389 56.400 -0.224 0.000 0.789 426 E CB 1.715 31.305 29.700 -0.183 0.000 1.098 426 E HN 0.047 nan 8.360 nan 0.000 0.397 427 L N 3.710 124.655 121.223 -0.463 0.000 2.371 427 L HA 0.402 4.728 4.340 -0.024 0.000 0.272 427 L C -1.421 174.952 176.870 -0.828 0.000 1.124 427 L CA 0.235 54.782 54.840 -0.488 0.000 0.816 427 L CB 0.213 42.083 42.059 -0.315 0.000 1.129 427 L HN 0.388 nan 8.230 nan 0.000 0.448 428 F N 5.313 124.888 119.950 -0.626 0.000 2.536 428 F HA 0.487 5.000 4.527 -0.023 0.000 0.322 428 F C -0.195 175.280 175.800 -0.541 0.000 1.144 428 F CA -0.446 57.167 58.000 -0.645 0.000 0.924 428 F CB 1.418 39.813 39.000 -1.008 0.000 1.181 428 F HN 0.237 nan 8.300 nan 0.000 0.438 429 I N 4.643 125.065 120.570 -0.246 0.000 2.315 429 I HA 0.214 4.370 4.170 -0.024 0.000 0.291 429 I C 0.790 176.857 176.117 -0.082 0.000 1.006 429 I CA -0.376 60.791 61.300 -0.222 0.000 1.265 429 I CB 1.437 39.227 38.000 -0.350 0.000 1.387 429 I HN 0.599 nan 8.210 nan 0.000 0.475 430 V N 0.637 120.538 119.914 -0.022 0.000 3.645 430 V HA 0.422 4.528 4.120 -0.024 0.000 0.275 430 V C -0.021 176.079 176.094 0.010 0.000 1.356 430 V CA 0.359 62.677 62.300 0.030 0.000 1.051 430 V CB 0.372 32.257 31.823 0.103 0.000 0.828 430 V HN 0.751 nan 8.190 nan 0.000 0.441 431 D N -0.326 120.070 120.400 -0.007 0.000 2.710 431 D HA 0.427 5.053 4.640 -0.024 0.000 0.276 431 D C -1.250 175.048 176.300 -0.003 0.000 1.267 431 D CA -0.504 53.496 54.000 -0.000 0.000 0.772 431 D CB 2.142 42.950 40.800 0.013 0.000 1.299 431 D HN 0.199 nan 8.370 nan 0.000 0.421 432 R N 2.215 122.722 120.500 0.011 0.000 2.513 432 R HA 0.423 4.748 4.340 -0.024 0.000 0.301 432 R C -0.182 176.138 176.300 0.034 0.000 0.968 432 R CA -0.603 55.511 56.100 0.022 0.000 0.872 432 R CB 1.200 31.516 30.300 0.026 0.000 1.177 432 R HN 0.408 nan 8.270 nan 0.000 0.444 433 L N 4.516 125.764 121.223 0.042 0.000 2.084 433 L HA 0.085 4.410 4.340 -0.024 0.000 0.202 433 L C 0.378 177.278 176.870 0.051 0.000 1.074 433 L CA 1.454 56.322 54.840 0.046 0.000 0.757 433 L CB -0.283 41.809 42.059 0.055 0.000 0.918 433 L HN 0.584 nan 8.230 nan 0.000 0.444 434 K N 0.445 120.881 120.400 0.061 0.000 2.336 434 K HA -0.067 4.239 4.320 -0.024 0.000 0.262 434 K C 0.758 177.394 176.600 0.059 0.000 0.992 434 K CA 0.442 56.767 56.287 0.063 0.000 0.927 434 K CB 0.104 32.649 32.500 0.076 0.000 0.956 434 K HN 0.408 nan 8.250 nan 0.000 0.495 435 E N 1.420 121.655 120.200 0.058 0.000 2.482 435 E HA -0.090 4.245 4.350 -0.024 0.000 0.196 435 E C 0.427 177.068 176.600 0.068 0.000 1.047 435 E CA -0.240 56.196 56.400 0.060 0.000 0.869 435 E CB -0.190 29.543 29.700 0.055 0.000 0.836 435 E HN 0.474 nan 8.360 nan 0.000 0.520 436 L N 2.216 123.482 121.223 0.072 0.000 2.653 436 L HA -0.018 4.308 4.340 -0.024 0.000 0.288 436 L C -0.460 176.461 176.870 0.085 0.000 1.243 436 L CA 0.957 55.846 54.840 0.082 0.000 0.906 436 L CB 0.220 42.330 42.059 0.086 0.000 1.154 436 L HN 0.097 nan 8.230 nan 0.000 0.498 437 I N 5.724 126.354 120.570 0.099 0.000 2.433 437 I HA 0.369 4.524 4.170 -0.024 0.000 0.292 437 I C -0.284 175.911 176.117 0.130 0.000 1.001 437 I CA -0.725 60.641 61.300 0.110 0.000 1.119 437 I CB 1.293 39.363 38.000 0.117 0.000 1.289 437 I HN 0.537 nan 8.210 nan 0.000 0.438 438 K N 6.432 126.903 120.400 0.119 0.000 2.483 438 K HA 0.320 4.626 4.320 -0.024 0.000 0.256 438 K C -1.476 175.213 176.600 0.149 0.000 0.961 438 K CA -0.752 55.604 56.287 0.113 0.000 0.873 438 K CB 2.187 34.710 32.500 0.039 0.000 1.107 438 K HN 0.452 nan 8.250 nan 0.000 0.432 439 Y N 3.718 124.071 120.300 0.088 0.000 2.356 439 Y HA 0.107 4.642 4.550 -0.024 0.000 0.334 439 Y C 0.021 176.007 175.900 0.143 0.000 0.958 439 Y CA -0.415 57.757 58.100 0.120 0.000 1.196 439 Y CB 0.660 39.223 38.460 0.172 0.000 1.137 439 Y HN 0.566 nan 8.280 nan 0.000 0.485 440 K N 4.697 124.838 120.400 -0.432 0.000 3.129 440 K HA -0.229 4.077 4.320 -0.024 0.000 0.273 440 K C 0.924 177.354 176.600 -0.284 0.000 1.123 440 K CA 1.033 57.117 56.287 -0.338 0.000 0.800 440 K CB -1.740 30.612 32.500 -0.246 0.000 1.238 440 K HN 1.399 nan 8.250 nan 0.000 0.492 441 G N -0.741 107.907 108.800 -0.254 0.000 2.267 441 G HA2 -0.352 3.594 3.960 -0.024 0.000 0.257 441 G HA3 -0.352 3.594 3.960 -0.024 0.000 0.257 441 G C 0.206 174.876 174.900 -0.384 0.000 0.998 441 G CA 0.453 45.342 45.100 -0.352 0.000 0.620 441 G HN 0.224 nan 8.290 nan 0.000 0.529 442 F N 1.584 121.408 119.950 -0.210 0.000 2.418 442 F HA 0.530 5.042 4.527 -0.024 0.000 0.341 442 F C 0.921 176.641 175.800 -0.134 0.000 1.120 442 F CA -0.048 57.756 58.000 -0.327 0.000 1.232 442 F CB 1.028 39.451 39.000 -0.961 0.000 1.175 442 F HN 0.217 nan 8.300 nan 0.000 0.569 443 Q N 2.142 122.044 119.800 0.169 0.000 2.267 443 Q HA 0.554 4.879 4.340 -0.024 0.000 0.255 443 Q C -1.721 174.430 176.000 0.252 0.000 0.923 443 Q CA -0.469 55.449 55.803 0.191 0.000 0.925 443 Q CB 1.229 30.087 28.738 0.201 0.000 1.195 443 Q HN 0.548 nan 8.270 nan 0.000 0.417 444 V N 3.013 123.057 119.914 0.215 0.000 2.443 444 V HA 0.549 4.655 4.120 -0.024 0.000 0.293 444 V C -0.602 175.572 176.094 0.134 0.000 1.021 444 V CA -0.824 61.598 62.300 0.203 0.000 0.848 444 V CB 1.433 33.376 31.823 0.200 0.000 0.998 444 V HN 0.889 nan 8.190 nan 0.000 0.424 445 A N 6.576 129.460 122.820 0.107 0.000 2.310 445 A HA 0.655 4.961 4.320 -0.024 0.000 0.300 445 A C -1.587 176.032 177.584 0.058 0.000 1.269 445 A CA -1.346 50.737 52.037 0.077 0.000 0.909 445 A CB 0.599 19.636 19.000 0.063 0.000 1.144 445 A HN 0.657 nan 8.150 nan 0.000 0.540 446 P HA -0.241 nan 4.420 nan 0.000 0.216 446 P C 1.782 179.110 177.300 0.046 0.000 1.153 446 P CA 2.322 65.456 63.100 0.056 0.000 0.858 446 P CB 0.239 31.978 31.700 0.065 0.000 0.789 447 A N -0.206 122.638 122.820 0.040 0.000 1.940 447 A HA -0.288 4.018 4.320 -0.024 0.000 0.219 447 A C 2.337 179.936 177.584 0.025 0.000 1.176 447 A CA 2.074 54.130 52.037 0.030 0.000 0.631 447 A CB -1.337 17.675 19.000 0.020 0.000 0.814 447 A HN 0.259 nan 8.150 nan 0.000 0.446 448 E N -0.219 119.994 120.200 0.021 0.000 2.028 448 E HA -0.150 4.186 4.350 -0.024 0.000 0.191 448 E C 1.946 178.551 176.600 0.009 0.000 0.988 448 E CA 1.131 57.537 56.400 0.009 0.000 0.799 448 E CB -0.235 29.467 29.700 0.004 0.000 0.755 448 E HN 0.605 nan 8.360 nan 0.000 0.447 449 L N 0.616 121.847 121.223 0.012 0.000 2.083 449 L HA -0.172 4.154 4.340 -0.024 0.000 0.209 449 L C 2.476 179.369 176.870 0.038 0.000 1.083 449 L CA 1.339 56.186 54.840 0.012 0.000 0.752 449 L CB -0.297 41.766 42.059 0.006 0.000 0.899 449 L HN 0.215 nan 8.230 nan 0.000 0.433 450 E N -0.054 120.173 120.200 0.044 0.000 2.077 450 E HA -0.232 4.104 4.350 -0.024 0.000 0.193 450 E C 2.285 178.921 176.600 0.059 0.000 0.989 450 E CA 1.235 57.669 56.400 0.056 0.000 0.800 450 E CB -0.154 29.578 29.700 0.054 0.000 0.746 450 E HN 0.504 nan 8.360 nan 0.000 0.452 451 A N 0.859 123.707 122.820 0.047 0.000 1.902 451 A HA -0.153 4.153 4.320 -0.024 0.000 0.217 451 A C 2.160 179.785 177.584 0.069 0.000 1.181 451 A CA 0.983 53.048 52.037 0.048 0.000 0.623 451 A CB -0.585 18.432 19.000 0.029 0.000 0.818 451 A HN 0.144 nan 8.150 nan 0.000 0.443 452 L N -0.720 120.542 121.223 0.066 0.000 2.017 452 L HA -0.200 4.126 4.340 -0.024 0.000 0.208 452 L C 2.615 179.621 176.870 0.228 0.000 1.073 452 L CA 1.212 56.111 54.840 0.100 0.000 0.745 452 L CB -0.552 41.526 42.059 0.033 0.000 0.894 452 L HN 0.389 nan 8.230 nan 0.000 0.432 453 L N -0.456 120.881 121.223 0.191 0.000 2.017 453 L HA -0.244 4.082 4.340 -0.024 0.000 0.208 453 L C 2.426 179.393 176.870 0.160 0.000 1.073 453 L CA 1.395 56.361 54.840 0.211 0.000 0.745 453 L CB -0.394 41.739 42.059 0.123 0.000 0.894 453 L HN 0.212 nan 8.230 nan 0.000 0.432 454 I N -0.184 120.455 120.570 0.115 0.000 2.614 454 I HA -0.226 3.930 4.170 -0.024 0.000 0.258 454 I C 2.575 178.752 176.117 0.100 0.000 1.189 454 I CA 0.813 62.164 61.300 0.085 0.000 1.462 454 I CB -0.387 37.651 38.000 0.064 0.000 1.092 454 I HN 0.204 nan 8.210 nan 0.000 0.442 455 A N -0.566 122.336 122.820 0.136 0.000 2.119 455 A HA -0.166 4.140 4.320 -0.024 0.000 0.217 455 A C 1.160 178.840 177.584 0.160 0.000 1.153 455 A CA 0.361 52.478 52.037 0.134 0.000 0.692 455 A CB -0.904 18.178 19.000 0.137 0.000 0.799 455 A HN 0.510 nan 8.150 nan 0.000 0.458 456 H N 0.057 119.139 119.070 0.019 0.000 2.964 456 H HA 0.129 4.670 4.556 -0.024 0.000 0.328 456 H C -1.677 173.586 175.328 -0.108 0.000 1.030 456 H CA -1.354 54.588 56.048 -0.177 0.000 1.445 456 H CB 0.984 30.459 29.762 -0.479 0.000 1.449 456 H HN 0.033 nan 8.280 nan 0.000 0.581 457 P HA -0.158 nan 4.420 nan 0.000 0.218 457 P C 0.154 177.513 177.300 0.098 0.000 1.148 457 P CA 1.456 64.644 63.100 0.147 0.000 0.822 457 P CB 0.246 32.002 31.700 0.094 0.000 0.784 458 E N -1.250 119.000 120.200 0.083 0.000 2.444 458 E HA 0.166 4.502 4.350 -0.024 0.000 0.191 458 E C 0.248 176.693 176.600 -0.257 0.000 1.041 458 E CA -0.077 56.227 56.400 -0.161 0.000 0.883 458 E CB 0.132 29.703 29.700 -0.216 0.000 1.024 458 E HN 0.303 nan 8.360 nan 0.000 0.470 459 I N 0.871 121.314 120.570 -0.211 0.000 2.436 459 I HA 0.060 4.216 4.170 -0.024 0.000 0.289 459 I C 0.915 177.012 176.117 -0.033 0.000 1.010 459 I CA -0.275 60.948 61.300 -0.129 0.000 1.098 459 I CB 2.002 39.917 38.000 -0.143 0.000 1.266 459 I HN -0.040 nan 8.210 nan 0.000 0.434 460 S N 2.120 117.813 115.700 -0.011 0.000 2.497 460 S HA 0.215 4.670 4.470 -0.024 0.000 0.218 460 S C 0.214 174.828 174.600 0.023 0.000 1.023 460 S CA -0.038 58.167 58.200 0.008 0.000 0.913 460 S CB 0.328 63.530 63.200 0.003 0.000 0.800 460 S HN 0.673 nan 8.310 nan 0.000 0.505 461 D N -0.291 120.129 120.400 0.034 0.000 2.609 461 D HA 0.766 5.392 4.640 -0.024 0.000 0.239 461 D C -1.474 174.867 176.300 0.067 0.000 1.229 461 D CA -0.074 53.954 54.000 0.047 0.000 0.808 461 D CB 2.087 42.913 40.800 0.042 0.000 1.448 461 D HN 0.346 nan 8.370 nan 0.000 0.433 462 A N 0.120 122.985 122.820 0.075 0.000 2.601 462 A HA 0.864 5.169 4.320 -0.024 0.000 0.291 462 A C -1.819 175.829 177.584 0.107 0.000 1.075 462 A CA -0.024 52.072 52.037 0.098 0.000 0.671 462 A CB 1.420 20.470 19.000 0.084 0.000 1.277 462 A HN 0.939 nan 8.150 nan 0.000 0.417 463 A N 0.099 123.010 122.820 0.151 0.000 2.517 463 A HA 0.689 4.995 4.320 -0.024 0.000 0.297 463 A C -1.501 176.198 177.584 0.192 0.000 1.050 463 A CA -0.386 51.750 52.037 0.165 0.000 0.694 463 A CB 1.430 20.539 19.000 0.182 0.000 1.277 463 A HN 1.648 nan 8.150 nan 0.000 0.400 464 V N 2.872 122.869 119.914 0.138 0.000 2.448 464 V HA 0.690 4.796 4.120 -0.024 0.000 0.295 464 V C 0.002 176.171 176.094 0.126 0.000 1.025 464 V CA -0.294 62.071 62.300 0.107 0.000 0.859 464 V CB 1.401 33.261 31.823 0.061 0.000 0.988 464 V HN 1.331 nan 8.190 nan 0.000 0.431 465 V N 1.993 121.988 119.914 0.135 0.000 3.102 465 V HA 0.990 5.096 4.120 -0.024 0.000 0.312 465 V C 0.277 176.436 176.094 0.108 0.000 1.135 465 V CA -0.707 61.677 62.300 0.140 0.000 1.022 465 V CB 1.918 33.865 31.823 0.208 0.000 1.056 465 V HN 0.877 nan 8.190 nan 0.000 0.436 466 G N 1.418 110.281 108.800 0.105 0.000 2.339 466 G HA2 0.553 4.498 3.960 -0.024 0.000 0.287 466 G HA3 0.553 4.498 3.960 -0.024 0.000 0.287 466 G C -1.013 173.945 174.900 0.096 0.000 1.163 466 G CA -0.350 44.809 45.100 0.099 0.000 0.872 466 G HN 1.074 nan 8.290 nan 0.000 0.464 467 L N 1.951 123.232 121.223 0.096 0.000 2.287 467 L HA 0.577 4.902 4.340 -0.024 0.000 0.287 467 L C 0.056 176.977 176.870 0.085 0.000 1.022 467 L CA -1.184 53.710 54.840 0.090 0.000 0.814 467 L CB 1.150 43.266 42.059 0.095 0.000 1.217 467 L HN 0.315 nan 8.230 nan 0.000 0.420 468 K N 3.528 123.968 120.400 0.068 0.000 2.511 468 K HA 0.172 4.478 4.320 -0.024 0.000 0.280 468 K C -0.491 176.145 176.600 0.061 0.000 1.008 468 K CA 0.627 56.947 56.287 0.057 0.000 1.050 468 K CB 0.019 32.544 32.500 0.041 0.000 0.889 468 K HN 0.564 nan 8.250 nan 0.000 0.484 469 D N 1.648 122.083 120.400 0.058 0.000 2.934 469 D HA 0.190 4.816 4.640 -0.024 0.000 0.230 469 D C 0.631 176.951 176.300 0.034 0.000 1.204 469 D CA -0.057 53.979 54.000 0.059 0.000 0.873 469 D CB 1.502 42.359 40.800 0.096 0.000 1.645 469 D HN 0.421 nan 8.370 nan 0.000 0.502 470 E N 2.111 122.328 120.200 0.030 0.000 2.031 470 E HA -0.167 4.169 4.350 -0.024 0.000 0.193 470 E C 1.576 178.177 176.600 0.002 0.000 0.994 470 E CA 2.399 58.808 56.400 0.015 0.000 0.800 470 E CB -1.339 28.373 29.700 0.020 0.000 0.752 470 E HN 0.737 nan 8.360 nan 0.000 0.447 471 D N -0.384 120.022 120.400 0.010 0.000 2.117 471 D HA 0.342 4.968 4.640 -0.024 0.000 0.198 471 D C 2.057 178.318 176.300 -0.066 0.000 0.982 471 D CA 2.347 56.343 54.000 -0.007 0.000 0.828 471 D CB -0.272 40.542 40.800 0.024 0.000 0.967 471 D HN 0.799 nan 8.370 nan 0.000 0.464 472 A N -2.572 120.198 122.820 -0.084 0.000 2.382 472 A HA 0.579 4.885 4.320 -0.024 0.000 0.228 472 A C 2.303 179.797 177.584 -0.149 0.000 1.217 472 A CA 1.228 53.115 52.037 -0.250 0.000 0.923 472 A CB 0.317 18.999 19.000 -0.529 0.000 0.979 472 A HN 1.551 nan 8.150 nan 0.000 0.515 473 G N -0.707 108.064 108.800 -0.049 0.000 2.579 473 G HA2 -0.228 3.718 3.960 -0.024 0.000 0.222 473 G HA3 -0.228 3.718 3.960 -0.024 0.000 0.222 473 G C 0.043 174.963 174.900 0.033 0.000 1.201 473 G CA 0.379 45.468 45.100 -0.019 0.000 0.710 473 G HN 0.597 nan 8.290 nan 0.000 0.516 474 E N -0.495 119.752 120.200 0.079 0.000 2.335 474 E HA 0.497 4.833 4.350 -0.024 0.000 0.280 474 E C -0.788 175.969 176.600 0.261 0.000 0.918 474 E CA -0.308 56.173 56.400 0.136 0.000 0.765 474 E CB 3.042 32.813 29.700 0.119 0.000 1.218 474 E HN 0.929 nan 8.360 nan 0.000 0.425 475 V N -0.115 119.930 119.914 0.218 0.000 2.604 475 V HA 0.686 4.792 4.120 -0.024 0.000 0.305 475 V C -2.641 173.518 176.094 0.107 0.000 1.043 475 V CA -2.519 59.915 62.300 0.223 0.000 0.888 475 V CB 1.593 33.522 31.823 0.176 0.000 0.995 475 V HN 0.480 nan 8.190 nan 0.000 0.429 476 P HA 0.396 nan 4.420 nan 0.000 0.281 476 P C -0.500 176.781 177.300 -0.031 0.000 1.252 476 P CA -0.055 63.055 63.100 0.016 0.000 0.778 476 P CB 1.651 33.347 31.700 -0.006 0.000 0.895 477 V N 0.357 120.254 119.914 -0.029 0.000 2.960 477 V HA 0.968 5.074 4.120 -0.024 0.000 0.315 477 V C -0.671 175.337 176.094 -0.143 0.000 1.087 477 V CA -1.452 60.781 62.300 -0.112 0.000 0.982 477 V CB 1.736 33.535 31.823 -0.040 0.000 1.039 477 V HN 0.665 nan 8.190 nan 0.000 0.437 478 A N 2.605 125.271 122.820 -0.256 0.000 2.356 478 A HA 0.872 5.178 4.320 -0.024 0.000 0.310 478 A C -1.220 176.215 177.584 -0.249 0.000 1.075 478 A CA -0.398 51.531 52.037 -0.179 0.000 0.746 478 A CB 0.999 19.928 19.000 -0.119 0.000 1.221 478 A HN 0.758 nan 8.150 nan 0.000 0.443 479 F N 1.917 121.900 119.950 0.056 0.000 2.410 479 F HA 0.541 5.054 4.527 -0.024 0.000 0.349 479 F C 0.239 176.058 175.800 0.031 0.000 1.117 479 F CA -0.190 57.854 58.000 0.074 0.000 1.104 479 F CB 1.924 40.979 39.000 0.092 0.000 1.122 479 F HN 0.285 nan 8.300 nan 0.000 0.483 480 V N 4.184 124.209 119.914 0.185 0.000 2.735 480 V HA 0.461 4.567 4.120 -0.024 0.000 0.310 480 V C -0.736 175.520 176.094 0.269 0.000 1.061 480 V CA -0.942 61.465 62.300 0.179 0.000 0.913 480 V CB 2.282 34.177 31.823 0.120 0.000 1.005 480 V HN 0.389 nan 8.190 nan 0.000 0.428 481 V N 4.666 124.685 119.914 0.175 0.000 2.311 481 V HA 0.338 4.444 4.120 -0.024 0.000 0.275 481 V C 0.356 176.496 176.094 0.076 0.000 1.022 481 V CA -0.819 61.560 62.300 0.131 0.000 0.830 481 V CB 1.025 32.894 31.823 0.078 0.000 1.012 481 V HN 0.781 nan 8.190 nan 0.000 0.452 482 K N 2.609 123.036 120.400 0.046 0.000 2.258 482 K HA 0.313 4.619 4.320 -0.024 0.000 0.264 482 K C 0.787 177.346 176.600 -0.068 0.000 1.007 482 K CA -0.093 56.152 56.287 -0.069 0.000 0.941 482 K CB 0.844 33.211 32.500 -0.221 0.000 0.966 482 K HN 0.815 nan 8.250 nan 0.000 0.480 483 S N 0.890 116.540 115.700 -0.084 0.000 2.600 483 S HA 0.000 4.456 4.470 -0.024 0.000 0.265 483 S C 0.143 174.705 174.600 -0.064 0.000 1.325 483 S CA -0.820 57.345 58.200 -0.058 0.000 1.002 483 S CB 0.949 64.118 63.200 -0.052 0.000 0.921 483 S HN 0.651 nan 8.310 nan 0.000 0.554 484 E N 0.595 120.768 120.200 -0.045 0.000 2.442 484 E HA 0.028 4.364 4.350 -0.024 0.000 0.262 484 E C 0.027 176.597 176.600 -0.051 0.000 1.004 484 E CA 0.244 56.618 56.400 -0.045 0.000 0.928 484 E CB 0.061 29.743 29.700 -0.030 0.000 0.937 484 E HN 0.747 nan 8.360 nan 0.000 0.446 485 K N 0.567 120.933 120.400 -0.057 0.000 3.587 485 K HA -0.203 4.103 4.320 -0.024 0.000 0.294 485 K C 0.038 176.596 176.600 -0.071 0.000 1.279 485 K CA 0.880 57.134 56.287 -0.055 0.000 1.004 485 K CB -1.651 30.826 32.500 -0.039 0.000 1.276 485 K HN 0.510 nan 8.250 nan 0.000 0.459 486 S N 1.062 116.706 115.700 -0.094 0.000 2.549 486 S HA 0.074 4.530 4.470 -0.024 0.000 0.283 486 S C 0.717 175.227 174.600 -0.150 0.000 1.320 486 S CA 0.028 58.156 58.200 -0.119 0.000 1.058 486 S CB 0.727 63.834 63.200 -0.156 0.000 0.882 486 S HN 0.263 nan 8.310 nan 0.000 0.498 487 Q N 2.657 122.384 119.800 -0.122 0.000 2.155 487 Q HA 0.308 4.634 4.340 -0.024 0.000 0.220 487 Q C 0.332 176.261 176.000 -0.118 0.000 0.819 487 Q CA -0.385 55.344 55.803 -0.124 0.000 1.032 487 Q CB 0.784 29.479 28.738 -0.073 0.000 1.151 487 Q HN 0.825 nan 8.270 nan 0.000 0.487 488 A N 1.730 124.471 122.820 -0.131 0.000 2.540 488 A HA 0.218 4.524 4.320 -0.024 0.000 0.239 488 A C 0.729 178.291 177.584 -0.036 0.000 1.061 488 A CA 0.316 52.316 52.037 -0.063 0.000 0.758 488 A CB 0.129 19.081 19.000 -0.079 0.000 0.991 488 A HN 0.290 nan 8.150 nan 0.000 0.502 489 T N -0.799 113.802 114.554 0.078 0.000 2.897 489 T HA 0.380 4.716 4.350 -0.024 0.000 0.278 489 T C 0.979 175.846 174.700 0.280 0.000 0.981 489 T CA 0.208 62.410 62.100 0.169 0.000 0.973 489 T CB 1.134 70.058 68.868 0.093 0.000 1.092 489 T HN 0.741 nan 8.240 nan 0.000 0.543 490 E N 0.168 120.510 120.200 0.237 0.000 2.051 490 E HA -0.221 4.115 4.350 -0.024 0.000 0.192 490 E C 1.331 177.927 176.600 -0.006 0.000 0.991 490 E CA 1.588 57.995 56.400 0.013 0.000 0.799 490 E CB -0.203 29.427 29.700 -0.117 0.000 0.748 490 E HN 0.681 nan 8.360 nan 0.000 0.449 491 D N 0.458 120.867 120.400 0.015 0.000 2.178 491 D HA -0.155 4.470 4.640 -0.024 0.000 0.201 491 D C 1.769 178.094 176.300 0.042 0.000 0.980 491 D CA 1.071 55.077 54.000 0.010 0.000 0.842 491 D CB -0.075 40.732 40.800 0.012 0.000 0.948 491 D HN 0.406 nan 8.370 nan 0.000 0.472 492 E N 0.127 120.370 120.200 0.072 0.000 2.106 492 E HA -0.107 4.229 4.350 -0.024 0.000 0.192 492 E C 2.131 178.820 176.600 0.148 0.000 0.984 492 E CA 0.338 56.798 56.400 0.100 0.000 0.806 492 E CB 0.226 29.985 29.700 0.099 0.000 0.750 492 E HN 0.233 nan 8.360 nan 0.000 0.458 493 I N 1.641 122.292 120.570 0.135 0.000 2.233 493 I HA -0.207 3.948 4.170 -0.024 0.000 0.243 493 I C 2.093 178.302 176.117 0.153 0.000 1.093 493 I CA 1.345 62.741 61.300 0.160 0.000 1.380 493 I CB -0.852 37.196 38.000 0.079 0.000 1.067 493 I HN 0.058 nan 8.210 nan 0.000 0.413 494 K N 0.587 121.017 120.400 0.050 0.000 2.103 494 K HA -0.203 4.102 4.320 -0.024 0.000 0.207 494 K C 2.035 178.652 176.600 0.029 0.000 1.048 494 K CA 1.314 57.605 56.287 0.007 0.000 0.930 494 K CB -0.197 32.274 32.500 -0.048 0.000 0.716 494 K HN 0.480 nan 8.250 nan 0.000 0.444 495 Q N -0.400 119.432 119.800 0.054 0.000 2.172 495 Q HA -0.171 4.155 4.340 -0.024 0.000 0.200 495 Q C 1.921 177.955 176.000 0.057 0.000 0.964 495 Q CA 1.184 57.011 55.803 0.039 0.000 0.855 495 Q CB -0.199 28.565 28.738 0.044 0.000 0.918 495 Q HN 0.366 nan 8.270 nan 0.000 0.444 496 Y N 1.102 121.403 120.300 0.000 0.000 2.165 496 Y HA -0.247 4.289 4.550 -0.024 0.000 0.286 496 Y C 1.798 177.686 175.900 -0.021 0.000 1.155 496 Y CA 1.222 59.318 58.100 -0.006 0.000 1.164 496 Y CB 0.058 38.546 38.460 0.047 0.000 0.978 496 Y HN 0.030 nan 8.280 nan 0.000 0.513 497 I N -0.999 119.550 120.570 -0.036 0.000 2.277 497 I HA -0.210 3.946 4.170 -0.024 0.000 0.243 497 I C 2.658 178.678 176.117 -0.161 0.000 1.094 497 I CA 1.478 62.698 61.300 -0.133 0.000 1.393 497 I CB -1.553 36.437 38.000 -0.016 0.000 1.078 497 I HN 0.238 nan 8.210 nan 0.000 0.417 498 S N 0.993 116.629 115.700 -0.106 0.000 2.374 498 S HA -0.233 4.223 4.470 -0.024 0.000 0.227 498 S C 1.964 176.494 174.600 -0.118 0.000 1.037 498 S CA 1.597 59.734 58.200 -0.104 0.000 1.024 498 S CB -0.096 63.064 63.200 -0.066 0.000 0.861 498 S HN 0.393 nan 8.310 nan 0.000 0.456 499 K N 0.205 120.528 120.400 -0.129 0.000 2.152 499 K HA -0.115 4.191 4.320 -0.024 0.000 0.206 499 K C 2.258 178.768 176.600 -0.150 0.000 1.048 499 K CA 1.519 57.730 56.287 -0.126 0.000 0.933 499 K CB -0.171 32.250 32.500 -0.132 0.000 0.721 499 K HN 0.520 nan 8.250 nan 0.000 0.447 500 Q N 0.374 120.051 119.800 -0.205 0.000 2.402 500 Q HA 0.032 4.358 4.340 -0.024 0.000 0.206 500 Q C 0.431 176.325 176.000 -0.176 0.000 0.919 500 Q CA 0.116 55.800 55.803 -0.198 0.000 0.923 500 Q CB 0.746 29.329 28.738 -0.259 0.000 1.048 500 Q HN 0.170 nan 8.270 nan 0.000 0.515 501 V N -2.438 117.365 119.914 -0.185 0.000 2.919 501 V HA 0.468 4.573 4.120 -0.024 0.000 0.316 501 V C -0.049 175.888 176.094 -0.263 0.000 1.077 501 V CA -1.428 60.740 62.300 -0.221 0.000 0.977 501 V CB 1.762 33.445 31.823 -0.234 0.000 1.039 501 V HN 0.102 nan 8.190 nan 0.000 0.441 502 I N 3.082 123.417 120.570 -0.390 0.000 2.813 502 I HA 0.124 4.280 4.170 -0.024 0.000 0.287 502 I C 1.581 177.313 176.117 -0.642 0.000 1.196 502 I CA -0.017 60.970 61.300 -0.521 0.000 1.421 502 I CB 0.889 38.413 38.000 -0.794 0.000 1.365 502 I HN 0.930 nan 8.210 nan 0.000 0.591 503 F N 6.513 126.256 119.950 -0.346 0.000 2.063 503 F HA -0.368 4.145 4.527 -0.023 0.000 0.297 503 F C 1.716 177.355 175.800 -0.269 0.000 1.099 503 F CA 1.757 59.604 58.000 -0.256 0.000 1.220 503 F CB -1.868 37.035 39.000 -0.161 0.000 0.972 503 F HN 0.610 nan 8.300 nan 0.000 0.487 504 Y N 0.068 119.910 120.300 -0.763 0.000 2.680 504 Y HA 0.244 4.780 4.550 -0.024 0.000 0.303 504 Y C 1.303 176.946 175.900 -0.428 0.000 1.166 504 Y CA 0.069 57.897 58.100 -0.454 0.000 1.344 504 Y CB -1.238 37.029 38.460 -0.321 0.000 1.002 504 Y HN 0.160 nan 8.280 nan 0.000 0.537 505 K N 0.910 121.018 120.400 -0.487 0.000 2.397 505 K HA 0.197 4.503 4.320 -0.024 0.000 0.202 505 K C 0.003 176.466 176.600 -0.229 0.000 1.022 505 K CA -0.221 55.893 56.287 -0.288 0.000 1.141 505 K CB 0.286 32.590 32.500 -0.328 0.000 0.857 505 K HN 0.251 nan 8.250 nan 0.000 0.514 506 R N 2.001 122.353 120.500 -0.246 0.000 2.543 506 R HA 0.127 4.453 4.340 -0.024 0.000 0.277 506 R C 0.458 176.658 176.300 -0.166 0.000 1.074 506 R CA -0.253 55.740 56.100 -0.178 0.000 1.076 506 R CB 0.425 30.636 30.300 -0.148 0.000 0.993 506 R HN 0.106 nan 8.270 nan 0.000 0.459 507 I N 0.801 121.295 120.570 -0.126 0.000 2.371 507 I HA 0.146 4.301 4.170 -0.024 0.000 0.290 507 I C 0.406 176.441 176.117 -0.137 0.000 1.028 507 I CA -0.363 60.861 61.300 -0.126 0.000 1.345 507 I CB 1.442 39.370 38.000 -0.120 0.000 1.407 507 I HN 0.498 nan 8.210 nan 0.000 0.501 508 K N 5.920 126.241 120.400 -0.132 0.000 2.116 508 K HA 0.125 4.431 4.320 -0.024 0.000 0.203 508 K C 0.472 176.963 176.600 -0.183 0.000 1.052 508 K CA 1.014 57.230 56.287 -0.118 0.000 0.952 508 K CB -0.000 32.464 32.500 -0.060 0.000 0.729 508 K HN 0.677 nan 8.250 nan 0.000 0.446 509 R N -0.310 120.018 120.500 -0.287 0.000 2.725 509 R HA 0.476 4.802 4.340 -0.024 0.000 0.277 509 R C -1.250 174.593 176.300 -0.763 0.000 0.987 509 R CA -0.636 55.141 56.100 -0.538 0.000 0.901 509 R CB 2.580 32.492 30.300 -0.647 0.000 1.207 509 R HN -0.266 nan 8.270 nan 0.000 0.463 510 V N 3.243 122.620 119.914 -0.895 0.000 2.407 510 V HA 0.459 4.564 4.120 -0.024 0.000 0.291 510 V C -1.238 174.208 176.094 -1.080 0.000 1.018 510 V CA -0.644 61.133 62.300 -0.872 0.000 0.842 510 V CB 1.169 32.590 31.823 -0.669 0.000 0.996 510 V HN 0.521 nan 8.190 nan 0.000 0.426 511 F N 4.701 124.334 119.950 -0.528 0.000 2.402 511 F HA 0.611 5.123 4.527 -0.024 0.000 0.355 511 F C -0.068 175.612 175.800 -0.201 0.000 1.123 511 F CA -0.950 56.849 58.000 -0.335 0.000 1.021 511 F CB 0.957 39.802 39.000 -0.258 0.000 1.160 511 F HN 0.285 nan 8.300 nan 0.000 0.451 512 F N 4.077 124.150 119.950 0.204 0.000 2.443 512 F HA 0.454 4.967 4.527 -0.024 0.000 0.353 512 F C 0.185 176.094 175.800 0.180 0.000 1.101 512 F CA -0.261 57.828 58.000 0.148 0.000 1.226 512 F CB 0.444 39.486 39.000 0.071 0.000 1.140 512 F HN 0.228 nan 8.300 nan 0.000 0.557 513 I N 1.604 122.382 120.570 0.348 0.000 3.174 513 I HA 0.292 4.448 4.170 -0.024 0.000 0.313 513 I C 0.674 176.876 176.117 0.142 0.000 1.155 513 I CA -0.512 60.916 61.300 0.213 0.000 0.977 513 I CB 2.008 40.112 38.000 0.175 0.000 1.248 513 I HN 0.427 nan 8.210 nan 0.000 0.453 514 E N 1.931 122.179 120.200 0.081 0.000 2.447 514 E HA 0.469 4.805 4.350 -0.024 0.000 0.195 514 E C -0.494 176.127 176.600 0.034 0.000 1.028 514 E CA 0.231 56.661 56.400 0.049 0.000 0.876 514 E CB 0.608 30.325 29.700 0.030 0.000 0.885 514 E HN 0.496 nan 8.360 nan 0.000 0.500 515 A N 0.844 123.681 122.820 0.028 0.000 2.565 515 A HA 0.420 4.726 4.320 -0.024 0.000 0.298 515 A C -1.115 176.465 177.584 -0.007 0.000 1.062 515 A CA -0.726 51.318 52.037 0.012 0.000 0.723 515 A CB 0.805 19.805 19.000 -0.000 0.000 1.282 515 A HN -0.025 nan 8.150 nan 0.000 0.400 516 I N 3.528 124.098 120.570 -0.001 0.000 2.416 516 I HA 0.280 4.436 4.170 -0.024 0.000 0.288 516 I C -1.838 174.256 176.117 -0.039 0.000 1.051 516 I CA -1.950 59.337 61.300 -0.023 0.000 1.375 516 I CB 0.609 38.617 38.000 0.013 0.000 1.407 516 I HN 0.431 nan 8.210 nan 0.000 0.516 517 P HA 0.171 nan 4.420 nan 0.000 0.267 517 P C -0.800 176.478 177.300 -0.037 0.000 1.209 517 P CA -0.019 63.044 63.100 -0.062 0.000 0.763 517 P CB 0.715 32.359 31.700 -0.093 0.000 0.816 518 K N 1.791 122.177 120.400 -0.024 0.000 2.469 518 K HA 0.676 4.982 4.320 -0.024 0.000 0.254 518 K C -0.390 176.204 176.600 -0.010 0.000 0.939 518 K CA -0.943 55.337 56.287 -0.012 0.000 0.812 518 K CB 2.678 35.175 32.500 -0.005 0.000 1.301 518 K HN 0.429 nan 8.250 nan 0.000 0.433 519 A N 1.953 124.770 122.820 -0.006 0.000 2.272 519 A HA 0.359 4.665 4.320 -0.024 0.000 0.275 519 A C -1.783 175.799 177.584 -0.003 0.000 1.096 519 A CA -1.180 50.854 52.037 -0.005 0.000 0.822 519 A CB -0.251 18.748 19.000 -0.002 0.000 1.088 519 A HN 0.514 nan 8.150 nan 0.000 0.495 520 P HA -0.216 nan 4.420 nan 0.000 0.216 520 P C 1.657 178.958 177.300 0.001 0.000 1.154 520 P CA 2.344 65.444 63.100 -0.001 0.000 0.865 520 P CB 0.025 31.724 31.700 -0.001 0.000 0.789 521 S N -2.282 113.419 115.700 0.002 0.000 2.474 521 S HA 0.082 4.538 4.470 -0.024 0.000 0.235 521 S C 1.734 176.336 174.600 0.004 0.000 0.997 521 S CA 1.072 59.273 58.200 0.003 0.000 0.949 521 S CB -1.082 62.120 63.200 0.003 0.000 0.766 521 S HN 0.329 nan 8.310 nan 0.000 0.517 522 G N 0.890 109.692 108.800 0.004 0.000 2.201 522 G HA2 -0.234 3.711 3.960 -0.024 0.000 0.212 522 G HA3 -0.234 3.711 3.960 -0.024 0.000 0.212 522 G C -0.042 174.863 174.900 0.007 0.000 0.994 522 G CA -0.011 45.092 45.100 0.005 0.000 0.644 522 G HN 0.725 nan 8.290 nan 0.000 0.508 523 K N 1.294 121.698 120.400 0.006 0.000 2.451 523 K HA 0.405 4.711 4.320 -0.024 0.000 0.280 523 K C 0.694 177.299 176.600 0.007 0.000 1.020 523 K CA -0.488 55.805 56.287 0.009 0.000 1.008 523 K CB 0.087 32.592 32.500 0.008 0.000 0.917 523 K HN 0.282 nan 8.250 nan 0.000 0.478 524 I N 5.576 126.153 120.570 0.012 0.000 2.618 524 I HA -0.071 4.084 4.170 -0.024 0.000 0.284 524 I C 0.454 176.573 176.117 0.003 0.000 1.146 524 I CA -0.080 61.226 61.300 0.009 0.000 1.425 524 I CB 0.520 38.535 38.000 0.024 0.000 1.383 524 I HN 0.481 nan 8.210 nan 0.000 0.562 525 L N 8.075 129.290 121.223 -0.013 0.000 2.395 525 L HA 0.202 4.528 4.340 -0.024 0.000 0.268 525 L C 1.485 178.343 176.870 -0.021 0.000 1.223 525 L CA -0.036 54.794 54.840 -0.018 0.000 1.093 525 L CB -0.504 41.535 42.059 -0.033 0.000 1.349 525 L HN 0.627 nan 8.230 nan 0.000 0.427 526 R N 0.915 121.418 120.500 0.004 0.000 2.148 526 R HA -0.118 4.207 4.340 -0.024 0.000 0.227 526 R C 1.747 178.058 176.300 0.019 0.000 1.103 526 R CA 1.110 57.224 56.100 0.023 0.000 0.983 526 R CB 0.012 30.339 30.300 0.045 0.000 0.874 526 R HN 0.499 nan 8.270 nan 0.000 0.451 527 K N 0.265 120.670 120.400 0.008 0.000 2.155 527 K HA -0.063 4.243 4.320 -0.024 0.000 0.203 527 K C 1.829 178.420 176.600 -0.014 0.000 1.052 527 K CA 0.738 57.029 56.287 0.006 0.000 0.948 527 K CB -0.131 32.371 32.500 0.005 0.000 0.728 527 K HN 0.115 nan 8.250 nan 0.000 0.448 528 N N 1.678 120.357 118.700 -0.035 0.000 2.120 528 N HA -0.142 4.584 4.740 -0.024 0.000 0.188 528 N C 1.712 177.158 175.510 -0.107 0.000 1.024 528 N CA 1.182 54.193 53.050 -0.065 0.000 0.852 528 N CB 0.006 38.449 38.487 -0.073 0.000 1.003 528 N HN 0.141 nan 8.380 nan 0.000 0.424 529 L N 0.866 122.015 121.223 -0.123 0.000 2.005 529 L HA -0.109 4.217 4.340 -0.024 0.000 0.207 529 L C 2.466 179.324 176.870 -0.019 0.000 1.072 529 L CA 1.162 55.874 54.840 -0.214 0.000 0.744 529 L CB -0.373 41.588 42.059 -0.163 0.000 0.895 529 L HN 0.102 nan 8.230 nan 0.000 0.433 530 K N 0.032 120.467 120.400 0.058 0.000 2.103 530 K HA -0.260 4.046 4.320 -0.024 0.000 0.207 530 K C 1.905 178.528 176.600 0.039 0.000 1.048 530 K CA 1.435 57.772 56.287 0.085 0.000 0.930 530 K CB -0.192 32.349 32.500 0.068 0.000 0.716 530 K HN 0.266 nan 8.250 nan 0.000 0.444 531 E N 1.271 121.473 120.200 0.003 0.000 2.333 531 E HA -0.156 4.180 4.350 -0.024 0.000 0.200 531 E C -0.122 176.468 176.600 -0.017 0.000 1.010 531 E CA 0.997 57.391 56.400 -0.011 0.000 0.841 531 E CB 0.253 29.937 29.700 -0.027 0.000 0.757 531 E HN 0.240 nan 8.360 nan 0.000 0.508 532 K N 0.000 120.391 120.400 -0.016 0.000 2.780 532 K HA 0.000 4.306 4.320 -0.024 0.000 0.191 532 K CA 0.000 56.273 56.287 -0.023 0.000 0.838 532 K CB 0.000 32.473 32.500 -0.046 0.000 1.064 532 K HN 0.000 nan 8.250 nan 0.000 0.543