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 3bh1_1_A DATA FIRST_RESID 4 DATA SEQUENCE TIGFDREKYI EMQSQHIRER REALGGKLYL EMGGKLFDDM HASRVLPGFT DATA SEQUENCE PDNKIAMLDR IKDEVEILVC INAKDLERHK IRADLGISYE EDVLRLVDVF DATA SEQUENCE RDRGFLVEHV VLTQLENDNR LALAFIERLQ RLGIKVSRHR VIPGYPTDMD DATA SEQUENCE RIVSDEGFGL NEYAETTRDL VVVTAPGPGS GKLATCLSQV YHEHKRGVAA DATA SEQUENCE GYAKFETFPI WNLPLEHPVN LAYEAATVDL NDANVIDHFH LAAYGEQTVN DATA SEQUENCE YNRDVEAFPL LKTLLERLMG ESPYQSPTDM GVNMAGNCIS DDAACRHASE DATA SEQUENCE QEIIRRYFKA LVEEARTGKD STQSDRAAVV MAKAGIKASQ RVVVEPARQV DATA SEQUENCE EERTSLPGCA IELVDGSIIT GATSDLLGCS SSMLLNALKH LAGIDDAIHL DATA SEQUENCE LSPESIEPIQ TLKTVHLGSS NPRLHTDEVL IALSVSAATD SNAQKALDQL DATA SEQUENCE KNLRGCDVHT TTILGSVDEG IFRNLGVLVT SDPKFQ 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.733 174.700 0.055 0.000 1.109 4 T CA 0.000 62.122 62.100 0.037 0.000 1.349 4 T CB 0.000 68.882 68.868 0.024 0.000 0.612 5 I N 3.463 124.068 120.570 0.058 0.000 2.410 5 I HA 0.505 4.675 4.170 -0.000 0.000 0.286 5 I C 1.162 177.332 176.117 0.088 0.000 1.009 5 I CA -0.346 61.002 61.300 0.081 0.000 1.111 5 I CB 1.242 39.286 38.000 0.073 0.000 1.262 5 I HN 0.947 nan 8.210 nan 0.000 0.443 6 G N 5.335 114.211 108.800 0.126 0.000 3.441 6 G HA2 0.146 4.106 3.960 -0.000 0.000 0.263 6 G HA3 0.146 4.106 3.960 -0.000 0.000 0.263 6 G C -0.360 174.660 174.900 0.201 0.000 1.014 6 G CA 0.122 45.301 45.100 0.132 0.000 0.833 6 G HN 0.362 nan 8.290 nan 0.000 0.514 7 F N 1.289 121.268 119.950 0.049 0.000 2.539 7 F HA 0.469 4.996 4.527 -0.000 0.000 0.318 7 F C -1.399 174.435 175.800 0.058 0.000 1.135 7 F CA -1.479 56.555 58.000 0.056 0.000 0.915 7 F CB 2.217 41.265 39.000 0.080 0.000 1.176 7 F HN -0.134 nan 8.300 nan 0.000 0.440 8 D N 6.040 126.110 120.400 -0.549 0.000 2.374 8 D HA 0.113 4.753 4.640 -0.000 0.000 0.240 8 D C 1.274 177.299 176.300 -0.458 0.000 1.229 8 D CA 0.199 53.976 54.000 -0.372 0.000 0.895 8 D CB 0.713 41.347 40.800 -0.277 0.000 1.046 8 D HN 0.800 nan 8.370 nan 0.000 0.498 9 R N 3.073 123.534 120.500 -0.064 0.000 2.073 9 R HA -0.187 4.153 4.340 -0.000 0.000 0.234 9 R C 1.360 177.718 176.300 0.096 0.000 1.134 9 R CA 1.331 57.513 56.100 0.136 0.000 0.952 9 R CB 0.183 30.573 30.300 0.150 0.000 0.850 9 R HN 0.261 nan 8.270 nan 0.000 0.433 10 E N 0.701 120.916 120.200 0.025 0.000 2.072 10 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 10 E C 1.828 178.429 176.600 0.002 0.000 0.985 10 E CA 1.449 57.859 56.400 0.017 0.000 0.801 10 E CB -0.010 29.691 29.700 0.002 0.000 0.750 10 E HN 0.245 nan 8.360 nan 0.000 0.452 11 K N -0.899 119.482 120.400 -0.031 0.000 2.063 11 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 11 K C 2.201 178.805 176.600 0.007 0.000 1.048 11 K CA 1.493 57.758 56.287 -0.036 0.000 0.928 11 K CB -0.389 32.062 32.500 -0.081 0.000 0.713 11 K HN 0.213 nan 8.250 nan 0.000 0.442 12 Y N 1.437 121.672 120.300 -0.107 0.000 2.145 12 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 12 Y C 1.771 177.701 175.900 0.049 0.000 1.145 12 Y CA 1.717 59.823 58.100 0.011 0.000 1.148 12 Y CB -0.229 38.324 38.460 0.154 0.000 0.981 12 Y HN 0.022 nan 8.280 nan 0.000 0.507 13 I N 0.119 120.658 120.570 -0.052 0.000 2.208 13 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 13 I C 2.230 178.265 176.117 -0.137 0.000 1.097 13 I CA 1.755 62.971 61.300 -0.141 0.000 1.363 13 I CB -0.378 37.608 38.000 -0.023 0.000 1.051 13 I HN 0.218 nan 8.210 nan 0.000 0.413 14 E N 0.364 120.518 120.200 -0.077 0.000 2.031 14 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 14 E C 2.238 178.800 176.600 -0.064 0.000 0.994 14 E CA 1.463 57.829 56.400 -0.058 0.000 0.800 14 E CB -0.140 29.541 29.700 -0.032 0.000 0.752 14 E HN 0.334 nan 8.360 nan 0.000 0.447 15 M N -0.081 119.483 119.600 -0.061 0.000 2.156 15 M HA -0.195 4.285 4.480 -0.000 0.000 0.264 15 M C 2.172 178.452 176.300 -0.033 0.000 1.067 15 M CA 1.396 56.680 55.300 -0.026 0.000 1.131 15 M CB 0.174 32.773 32.600 -0.000 0.000 1.368 15 M HN 0.021 nan 8.290 nan 0.000 0.416 16 Q N 0.083 119.791 119.800 -0.152 0.000 2.083 16 Q HA -0.120 4.219 4.340 -0.000 0.000 0.198 16 Q C 1.997 177.919 176.000 -0.130 0.000 0.969 16 Q CA 2.476 58.181 55.803 -0.164 0.000 0.838 16 Q CB -0.292 28.149 28.738 -0.495 0.000 0.900 16 Q HN 0.627 nan 8.270 nan 0.000 0.436 17 S N -0.481 115.115 115.700 -0.174 0.000 2.368 17 S HA -0.239 4.231 4.470 -0.000 0.000 0.225 17 S C 1.994 176.556 174.600 -0.065 0.000 1.030 17 S CA 1.293 59.417 58.200 -0.126 0.000 0.999 17 S CB -0.512 62.621 63.200 -0.112 0.000 0.844 17 S HN 0.402 nan 8.310 nan 0.000 0.459 18 Q N 0.767 120.548 119.800 -0.032 0.000 2.119 18 Q HA -0.088 4.252 4.340 -0.000 0.000 0.201 18 Q C 2.089 178.109 176.000 0.034 0.000 0.972 18 Q CA 1.712 57.515 55.803 -0.001 0.000 0.847 18 Q CB -0.595 28.151 28.738 0.013 0.000 0.903 18 Q HN 0.840 nan 8.270 nan 0.000 0.433 19 H N -0.690 118.358 119.070 -0.035 0.000 2.389 19 H HA -0.057 4.499 4.556 -0.000 0.000 0.299 19 H C 1.844 177.157 175.328 -0.025 0.000 1.081 19 H CA 1.491 57.532 56.048 -0.012 0.000 1.345 19 H CB 0.182 29.957 29.762 0.021 0.000 1.393 19 H HN 0.302 nan 8.280 nan 0.000 0.520 20 I N 0.354 120.918 120.570 -0.010 0.000 2.179 20 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 20 I C 2.831 178.891 176.117 -0.094 0.000 1.088 20 I CA 0.950 62.204 61.300 -0.076 0.000 1.357 20 I CB -0.184 37.749 38.000 -0.111 0.000 1.051 20 I HN 0.167 nan 8.210 nan 0.000 0.409 21 R N 0.534 120.987 120.500 -0.078 0.000 2.083 21 R HA -0.212 4.128 4.340 -0.000 0.000 0.237 21 R C 2.200 178.453 176.300 -0.079 0.000 1.137 21 R CA 1.688 57.746 56.100 -0.070 0.000 0.951 21 R CB -0.327 29.942 30.300 -0.053 0.000 0.851 21 R HN 0.456 nan 8.270 nan 0.000 0.434 22 E N -0.229 119.911 120.200 -0.100 0.000 2.085 22 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 22 E C 2.055 178.573 176.600 -0.136 0.000 0.994 22 E CA 0.972 57.300 56.400 -0.120 0.000 0.801 22 E CB -0.040 29.565 29.700 -0.159 0.000 0.743 22 E HN 0.056 nan 8.360 nan 0.000 0.453 23 R N 1.601 121.997 120.500 -0.174 0.000 2.096 23 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 23 R C 2.174 178.440 176.300 -0.058 0.000 1.127 23 R CA 1.889 57.917 56.100 -0.120 0.000 0.968 23 R CB -0.211 30.018 30.300 -0.118 0.000 0.861 23 R HN 0.145 nan 8.270 nan 0.000 0.440 24 R N -0.187 120.277 120.500 -0.061 0.000 2.090 24 R HA 0.029 4.369 4.340 -0.000 0.000 0.228 24 R C 1.838 178.115 176.300 -0.039 0.000 1.110 24 R CA 1.684 57.758 56.100 -0.043 0.000 0.973 24 R CB -0.562 29.705 30.300 -0.055 0.000 0.869 24 R HN 0.272 nan 8.270 nan 0.000 0.440 25 E N 1.046 121.219 120.200 -0.045 0.000 2.110 25 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 25 E C 2.066 178.647 176.600 -0.032 0.000 0.988 25 E CA 1.253 57.631 56.400 -0.038 0.000 0.804 25 E CB -0.131 29.546 29.700 -0.038 0.000 0.745 25 E HN 0.559 nan 8.360 nan 0.000 0.458 26 A N 0.527 123.325 122.820 -0.037 0.000 2.066 26 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 26 A C 1.858 179.427 177.584 -0.025 0.000 1.157 26 A CA 0.760 52.779 52.037 -0.030 0.000 0.670 26 A CB -0.057 18.923 19.000 -0.034 0.000 0.804 26 A HN 0.146 nan 8.150 nan 0.000 0.453 27 L N -2.060 119.151 121.223 -0.020 0.000 2.728 27 L HA 0.329 4.669 4.340 -0.000 0.000 0.238 27 L C 1.487 178.356 176.870 -0.001 0.000 1.143 27 L CA 0.536 55.370 54.840 -0.009 0.000 0.937 27 L CB 0.475 42.540 42.059 0.010 0.000 1.225 27 L HN 0.538 nan 8.230 nan 0.000 0.507 28 G N -0.693 108.098 108.800 -0.014 0.000 2.428 28 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.199 28 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.199 28 G C 0.835 175.717 174.900 -0.029 0.000 1.005 28 G CA -0.268 44.819 45.100 -0.022 0.000 0.671 28 G HN 0.425 nan 8.290 nan 0.000 0.485 29 G N -0.612 108.172 108.800 -0.028 0.000 2.260 29 G HA2 0.048 4.008 3.960 -0.000 0.000 0.179 29 G HA3 0.048 4.008 3.960 -0.000 0.000 0.179 29 G C -0.053 174.822 174.900 -0.042 0.000 1.002 29 G CA 0.858 45.937 45.100 -0.035 0.000 0.677 29 G HN 1.144 nan 8.290 nan 0.000 0.486 30 K N 0.233 120.613 120.400 -0.034 0.000 2.471 30 K HA 0.752 5.072 4.320 -0.000 0.000 0.252 30 K C -1.577 175.002 176.600 -0.036 0.000 0.938 30 K CA -0.928 55.327 56.287 -0.054 0.000 0.796 30 K CB 1.634 34.111 32.500 -0.037 0.000 1.161 30 K HN 0.200 nan 8.250 nan 0.000 0.425 31 L N 4.860 126.016 121.223 -0.111 0.000 2.381 31 L HA 0.459 4.799 4.340 -0.000 0.000 0.274 31 L C -1.898 174.864 176.870 -0.180 0.000 0.988 31 L CA -0.390 54.414 54.840 -0.059 0.000 0.824 31 L CB 1.164 43.194 42.059 -0.047 0.000 1.263 31 L HN 0.583 nan 8.230 nan 0.000 0.410 32 Y N 5.593 125.940 120.300 0.079 0.000 2.404 32 Y HA 0.536 5.086 4.550 -0.000 0.000 0.344 32 Y C -0.422 175.541 175.900 0.104 0.000 0.970 32 Y CA -0.278 57.883 58.100 0.101 0.000 1.180 32 Y CB 1.515 40.067 38.460 0.152 0.000 1.138 32 Y HN 0.487 nan 8.280 nan 0.000 0.510 33 L N 4.668 125.977 121.223 0.143 0.000 2.294 33 L HA 0.363 4.703 4.340 -0.000 0.000 0.283 33 L C -0.156 176.801 176.870 0.146 0.000 1.015 33 L CA -0.581 54.300 54.840 0.068 0.000 0.831 33 L CB 1.080 43.131 42.059 -0.013 0.000 1.217 33 L HN 0.586 nan 8.230 nan 0.000 0.420 34 E N 5.560 125.883 120.200 0.204 0.000 2.290 34 E HA 0.188 4.538 4.350 -0.000 0.000 0.277 34 E C -1.065 175.668 176.600 0.222 0.000 1.035 34 E CA -0.451 56.106 56.400 0.263 0.000 0.873 34 E CB 0.646 30.588 29.700 0.404 0.000 1.029 34 E HN 0.518 nan 8.360 nan 0.000 0.419 35 M N 4.168 123.894 119.600 0.210 0.000 2.055 35 M HA 0.291 4.771 4.480 -0.000 0.000 0.347 35 M C 0.141 176.553 176.300 0.187 0.000 1.123 35 M CA -0.472 54.980 55.300 0.253 0.000 1.035 35 M CB 0.810 33.554 32.600 0.239 0.000 1.484 35 M HN 0.521 nan 8.290 nan 0.000 0.428 36 G N 1.647 110.533 108.800 0.143 0.000 2.372 36 G HA2 0.640 4.600 3.960 -0.000 0.000 0.283 36 G HA3 0.640 4.600 3.960 -0.000 0.000 0.283 36 G C 0.335 175.265 174.900 0.049 0.000 1.177 36 G CA 0.205 45.363 45.100 0.096 0.000 0.842 36 G HN 1.024 nan 8.290 nan 0.000 0.503 37 G N 0.921 109.761 108.800 0.066 0.000 2.603 37 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.686 37 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.686 37 G C -0.297 174.652 174.900 0.082 0.000 1.286 37 G CA -0.867 44.267 45.100 0.056 0.000 0.871 37 G HN 0.769 nan 8.290 nan 0.000 0.568 38 K N -0.135 120.316 120.400 0.085 0.000 2.412 38 K HA 0.367 4.687 4.320 -0.000 0.000 0.281 38 K C 0.903 177.567 176.600 0.107 0.000 1.027 38 K CA -0.349 55.999 56.287 0.102 0.000 0.989 38 K CB 1.022 33.586 32.500 0.107 0.000 0.935 38 K HN 0.294 nan 8.250 nan 0.000 0.475 39 L N 2.331 123.608 121.223 0.091 0.000 2.357 39 L HA 0.095 4.435 4.340 -0.000 0.000 0.211 39 L C 1.191 177.939 176.870 -0.204 0.000 1.075 39 L CA 1.323 56.144 54.840 -0.031 0.000 0.830 39 L CB 0.041 42.059 42.059 -0.068 0.000 0.996 39 L HN 0.636 nan 8.230 nan 0.000 0.467 40 F N -0.429 119.519 119.950 -0.003 0.000 2.500 40 F HA 0.094 4.621 4.527 -0.000 0.000 0.285 40 F C 0.860 176.667 175.800 0.011 0.000 1.088 40 F CA 0.185 58.159 58.000 -0.042 0.000 1.432 40 F CB 0.281 39.209 39.000 -0.120 0.000 1.131 40 F HN 0.117 nan 8.300 nan 0.000 0.582 41 D N -0.980 119.547 120.400 0.211 0.000 2.963 41 D HA 0.032 4.672 4.640 -0.000 0.000 0.361 41 D C -0.593 175.794 176.300 0.144 0.000 1.317 41 D CA -0.094 53.999 54.000 0.155 0.000 0.832 41 D CB -0.404 40.469 40.800 0.122 0.000 1.135 41 D HN 0.008 nan 8.370 nan 0.000 0.476 42 D N 1.598 122.099 120.400 0.167 0.000 2.498 42 D HA 0.013 4.653 4.640 -0.000 0.000 0.229 42 D C 1.308 177.717 176.300 0.182 0.000 1.188 42 D CA -0.230 53.880 54.000 0.182 0.000 1.028 42 D CB 0.579 41.509 40.800 0.217 0.000 1.087 42 D HN 0.054 nan 8.370 nan 0.000 0.510 43 M N 1.155 120.844 119.600 0.147 0.000 2.175 43 M HA -0.125 4.354 4.480 -0.000 0.000 0.264 43 M C 1.773 178.135 176.300 0.103 0.000 1.063 43 M CA 1.078 56.447 55.300 0.116 0.000 1.119 43 M CB -1.234 31.421 32.600 0.092 0.000 1.377 43 M HN 0.531 nan 8.290 nan 0.000 0.415 44 H N 0.880 119.970 119.070 0.034 0.000 2.290 44 H HA -0.085 4.471 4.556 -0.000 0.000 0.298 44 H C 1.953 177.262 175.328 -0.030 0.000 1.087 44 H CA 2.732 58.772 56.048 -0.014 0.000 1.291 44 H CB 0.062 29.808 29.762 -0.027 0.000 1.369 44 H HN 0.316 nan 8.280 nan 0.000 0.492 45 A N -0.052 122.839 122.820 0.118 0.000 1.933 45 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 45 A C 2.639 180.156 177.584 -0.112 0.000 1.175 45 A CA 2.000 54.020 52.037 -0.029 0.000 0.628 45 A CB -1.009 17.805 19.000 -0.309 0.000 0.814 45 A HN 0.696 nan 8.150 nan 0.000 0.444 46 S N -0.090 115.637 115.700 0.045 0.000 2.383 46 S HA -0.155 4.315 4.470 -0.000 0.000 0.227 46 S C 2.005 176.603 174.600 -0.003 0.000 1.026 46 S CA 1.096 59.347 58.200 0.084 0.000 0.981 46 S CB -0.432 62.840 63.200 0.120 0.000 0.818 46 S HN 0.635 nan 8.310 nan 0.000 0.472 47 R N 0.388 120.848 120.500 -0.066 0.000 2.073 47 R HA 0.125 4.465 4.340 -0.000 0.000 0.229 47 R C 2.306 178.514 176.300 -0.152 0.000 1.120 47 R CA 1.246 57.285 56.100 -0.101 0.000 0.967 47 R CB -0.683 29.540 30.300 -0.129 0.000 0.862 47 R HN 0.329 nan 8.270 nan 0.000 0.436 48 V N 1.230 120.986 119.914 -0.264 0.000 2.548 48 V HA -0.056 4.064 4.120 -0.000 0.000 0.249 48 V C 1.028 177.039 176.094 -0.138 0.000 1.055 48 V CA 1.177 63.310 62.300 -0.279 0.000 1.065 48 V CB -0.021 31.483 31.823 -0.532 0.000 0.681 48 V HN 0.183 nan 8.190 nan 0.000 0.462 49 L N 1.491 122.634 121.223 -0.133 0.000 2.445 49 L HA 0.371 4.711 4.340 -0.000 0.000 0.252 49 L C -2.635 174.234 176.870 -0.002 0.000 1.105 49 L CA -1.699 53.078 54.840 -0.105 0.000 0.943 49 L CB 1.277 43.101 42.059 -0.391 0.000 1.277 49 L HN 0.063 nan 8.230 nan 0.000 0.465 50 P HA 0.074 nan 4.420 nan 0.000 0.257 50 P C 0.988 178.396 177.300 0.180 0.000 1.189 50 P CA 0.866 64.027 63.100 0.101 0.000 0.780 50 P CB 0.799 32.554 31.700 0.092 0.000 0.772 51 G N 3.131 112.042 108.800 0.186 0.000 2.380 51 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.197 51 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.197 51 G C -0.186 174.912 174.900 0.330 0.000 1.001 51 G CA -0.674 44.585 45.100 0.265 0.000 0.668 51 G HN 0.488 nan 8.290 nan 0.000 0.483 52 F N 4.408 124.359 119.950 0.002 0.000 2.472 52 F HA 0.534 5.061 4.527 -0.000 0.000 0.364 52 F C 1.274 177.035 175.800 -0.065 0.000 1.090 52 F CA 0.476 58.351 58.000 -0.207 0.000 1.188 52 F CB 0.879 39.438 39.000 -0.735 0.000 1.105 52 F HN 0.230 nan 8.300 nan 0.000 0.536 53 T N 3.877 118.343 114.554 -0.146 0.000 2.882 53 T HA 0.293 4.643 4.350 -0.000 0.000 0.287 53 T C -1.926 172.786 174.700 0.019 0.000 1.014 53 T CA -1.753 60.330 62.100 -0.028 0.000 1.049 53 T CB 1.381 70.224 68.868 -0.042 0.000 1.001 53 T HN 0.367 nan 8.240 nan 0.000 0.525 54 P HA -0.029 nan 4.420 nan 0.000 0.219 54 P C 0.248 177.610 177.300 0.103 0.000 1.146 54 P CA 1.052 64.237 63.100 0.142 0.000 0.808 54 P CB -0.070 31.701 31.700 0.118 0.000 0.779 55 D N -2.562 117.857 120.400 0.031 0.000 2.340 55 D HA 0.040 4.680 4.640 -0.000 0.000 0.217 55 D C 1.294 177.539 176.300 -0.091 0.000 1.081 55 D CA -0.011 53.984 54.000 -0.008 0.000 0.842 55 D CB -0.818 40.013 40.800 0.051 0.000 0.934 55 D HN 0.132 nan 8.370 nan 0.000 0.511 56 N N 0.796 119.364 118.700 -0.220 0.000 2.205 56 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 56 N C 1.451 176.916 175.510 -0.074 0.000 1.015 56 N CA 0.898 53.737 53.050 -0.352 0.000 0.862 56 N CB 0.212 37.976 38.487 -1.206 0.000 0.986 56 N HN 0.066 nan 8.380 nan 0.000 0.429 57 K N 0.024 120.448 120.400 0.039 0.000 2.097 57 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 57 K C 1.587 178.186 176.600 -0.003 0.000 1.050 57 K CA 0.741 57.133 56.287 0.176 0.000 0.938 57 K CB 0.137 32.812 32.500 0.292 0.000 0.718 57 K HN 0.230 nan 8.250 nan 0.000 0.442 58 I N 0.842 121.346 120.570 -0.110 0.000 2.353 58 I HA -0.114 4.056 4.170 -0.000 0.000 0.248 58 I C 2.382 178.541 176.117 0.071 0.000 1.119 58 I CA 1.011 62.237 61.300 -0.123 0.000 1.417 58 I CB -1.343 36.447 38.000 -0.349 0.000 1.078 58 I HN 0.041 nan 8.210 nan 0.000 0.421 59 A N 0.932 123.775 122.820 0.038 0.000 2.019 59 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 59 A C 2.375 179.984 177.584 0.042 0.000 1.164 59 A CA 1.298 53.371 52.037 0.059 0.000 0.644 59 A CB -0.546 18.471 19.000 0.028 0.000 0.805 59 A HN 0.346 nan 8.150 nan 0.000 0.449 60 M N -0.205 119.400 119.600 0.009 0.000 2.099 60 M HA -0.048 4.432 4.480 -0.000 0.000 0.262 60 M C 1.813 178.090 176.300 -0.038 0.000 1.067 60 M CA 1.722 56.979 55.300 -0.073 0.000 1.124 60 M CB -0.701 31.790 32.600 -0.181 0.000 1.353 60 M HN 0.416 nan 8.290 nan 0.000 0.410 61 L N -0.139 121.098 121.223 0.024 0.000 2.291 61 L HA -0.167 4.173 4.340 -0.000 0.000 0.214 61 L C 1.787 178.844 176.870 0.313 0.000 1.120 61 L CA 0.835 55.752 54.840 0.128 0.000 0.799 61 L CB -0.714 41.394 42.059 0.082 0.000 0.925 61 L HN 0.264 nan 8.230 nan 0.000 0.446 62 D N 0.102 120.676 120.400 0.289 0.000 2.178 62 D HA -0.189 4.451 4.640 -0.000 0.000 0.202 62 D C 2.249 178.556 176.300 0.011 0.000 0.974 62 D CA 0.698 54.775 54.000 0.128 0.000 0.841 62 D CB 0.160 41.027 40.800 0.111 0.000 0.953 62 D HN -0.077 nan 8.370 nan 0.000 0.478 63 R N 0.132 120.640 120.500 0.015 0.000 2.193 63 R HA 0.009 4.349 4.340 -0.000 0.000 0.229 63 R C 1.138 177.423 176.300 -0.025 0.000 1.110 63 R CA 0.918 57.007 56.100 -0.018 0.000 0.988 63 R CB -0.242 30.039 30.300 -0.032 0.000 0.871 63 R HN 0.440 nan 8.270 nan 0.000 0.458 64 I N -3.755 116.810 120.570 -0.008 0.000 3.426 64 I HA 0.328 4.498 4.170 -0.000 0.000 0.329 64 I C 0.928 177.047 176.117 0.003 0.000 1.553 64 I CA -0.541 60.750 61.300 -0.015 0.000 1.019 64 I CB 0.728 38.713 38.000 -0.026 0.000 1.376 64 I HN -0.169 nan 8.210 nan 0.000 0.525 65 K N 1.776 122.158 120.400 -0.031 0.000 2.074 65 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 65 K C 1.187 177.745 176.600 -0.070 0.000 1.048 65 K CA 2.325 58.548 56.287 -0.107 0.000 0.926 65 K CB 0.090 32.378 32.500 -0.354 0.000 0.713 65 K HN 0.389 nan 8.250 nan 0.000 0.444 66 D N 0.156 120.516 120.400 -0.067 0.000 2.363 66 D HA -0.064 4.576 4.640 -0.000 0.000 0.220 66 D C 0.691 176.973 176.300 -0.030 0.000 0.994 66 D CA 0.808 54.778 54.000 -0.049 0.000 0.890 66 D CB 0.263 41.032 40.800 -0.051 0.000 0.906 66 D HN 0.425 nan 8.370 nan 0.000 0.530 67 E N -0.396 119.789 120.200 -0.024 0.000 2.481 67 E HA 0.117 4.467 4.350 -0.000 0.000 0.198 67 E C -0.058 176.525 176.600 -0.029 0.000 1.027 67 E CA -0.039 56.344 56.400 -0.029 0.000 0.900 67 E CB 1.394 31.072 29.700 -0.037 0.000 0.993 67 E HN -0.063 nan 8.360 nan 0.000 0.482 68 V N 1.367 121.282 119.914 0.003 0.000 2.547 68 V HA 0.276 4.395 4.120 -0.000 0.000 0.299 68 V C -0.279 175.823 176.094 0.013 0.000 1.040 68 V CA -0.640 61.665 62.300 0.009 0.000 0.913 68 V CB 1.902 33.775 31.823 0.083 0.000 0.992 68 V HN 0.048 nan 8.190 nan 0.000 0.449 69 E N 3.271 123.445 120.200 -0.044 0.000 2.256 69 E HA 0.543 4.893 4.350 -0.000 0.000 0.267 69 E C -1.526 175.003 176.600 -0.118 0.000 0.892 69 E CA -0.779 55.594 56.400 -0.045 0.000 0.775 69 E CB 1.756 31.436 29.700 -0.033 0.000 1.207 69 E HN 0.451 nan 8.360 nan 0.000 0.420 70 I N 4.471 124.947 120.570 -0.157 0.000 2.354 70 I HA 0.335 4.505 4.170 -0.000 0.000 0.292 70 I C -0.308 175.742 176.117 -0.113 0.000 0.989 70 I CA -0.579 60.558 61.300 -0.272 0.000 1.188 70 I CB 0.903 38.543 38.000 -0.600 0.000 1.342 70 I HN 0.548 nan 8.210 nan 0.000 0.457 71 L N 7.265 128.446 121.223 -0.070 0.000 2.341 71 L HA 0.643 4.983 4.340 -0.000 0.000 0.278 71 L C -1.046 175.829 176.870 0.008 0.000 1.005 71 L CA -0.531 54.312 54.840 0.005 0.000 0.818 71 L CB 1.883 43.960 42.059 0.030 0.000 1.259 71 L HN 0.294 nan 8.230 nan 0.000 0.418 72 V N 3.926 123.857 119.914 0.029 0.000 2.384 72 V HA 0.386 4.506 4.120 -0.000 0.000 0.287 72 V C -0.234 175.887 176.094 0.045 0.000 1.020 72 V CA -0.628 61.702 62.300 0.050 0.000 0.850 72 V CB 1.292 33.161 31.823 0.077 0.000 0.987 72 V HN 0.836 nan 8.190 nan 0.000 0.436 73 C N 5.575 124.906 119.300 0.051 0.000 2.370 73 C HA 0.781 5.241 4.460 -0.000 0.000 0.354 73 C C 0.083 175.125 174.990 0.087 0.000 1.218 73 C CA -0.583 58.462 59.018 0.044 0.000 2.154 73 C CB 0.678 28.441 27.740 0.038 0.000 2.391 73 C HN 0.898 nan 8.230 nan 0.000 0.540 74 I N 2.875 123.507 120.570 0.103 0.000 2.610 74 I HA 0.297 4.467 4.170 -0.000 0.000 0.289 74 I C -0.842 175.351 176.117 0.127 0.000 1.163 74 I CA -0.123 61.267 61.300 0.150 0.000 1.044 74 I CB 1.078 39.204 38.000 0.209 0.000 1.251 74 I HN 0.637 nan 8.210 nan 0.000 0.424 75 N N 5.261 124.037 118.700 0.127 0.000 2.483 75 N HA 0.196 4.936 4.740 -0.000 0.000 0.264 75 N C 0.760 176.310 175.510 0.066 0.000 1.197 75 N CA 0.837 53.937 53.050 0.084 0.000 0.927 75 N CB 1.894 40.423 38.487 0.070 0.000 1.065 75 N HN 0.803 nan 8.380 nan 0.000 0.461 76 A N 4.793 127.646 122.820 0.055 0.000 1.969 76 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 76 A C 1.873 179.454 177.584 -0.006 0.000 1.169 76 A CA 1.203 53.265 52.037 0.042 0.000 0.635 76 A CB -0.145 18.886 19.000 0.052 0.000 0.810 76 A HN 0.797 nan 8.150 nan 0.000 0.445 77 K N -0.296 120.097 120.400 -0.012 0.000 2.288 77 K HA -0.083 4.237 4.320 -0.000 0.000 0.201 77 K C 0.899 177.451 176.600 -0.079 0.000 1.048 77 K CA 1.083 57.346 56.287 -0.040 0.000 0.956 77 K CB -0.077 32.409 32.500 -0.025 0.000 0.746 77 K HN 0.344 nan 8.250 nan 0.000 0.461 78 D N 0.842 121.194 120.400 -0.081 0.000 2.224 78 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 78 D C 1.691 177.885 176.300 -0.177 0.000 0.965 78 D CA 0.797 54.706 54.000 -0.153 0.000 0.852 78 D CB 0.035 40.742 40.800 -0.155 0.000 0.947 78 D HN 0.045 nan 8.370 nan 0.000 0.494 79 L N 0.834 121.967 121.223 -0.151 0.000 2.027 79 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 79 L C 1.996 178.630 176.870 -0.394 0.000 1.074 79 L CA 1.271 55.973 54.840 -0.231 0.000 0.745 79 L CB -0.457 41.497 42.059 -0.175 0.000 0.898 79 L HN 0.103 nan 8.230 nan 0.000 0.433 80 E N -0.540 119.489 120.200 -0.284 0.000 2.463 80 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 80 E C 1.457 177.908 176.600 -0.248 0.000 1.083 80 E CA 0.177 56.395 56.400 -0.304 0.000 0.872 80 E CB 0.014 29.628 29.700 -0.142 0.000 0.966 80 E HN 0.412 nan 8.360 nan 0.000 0.491 81 R N -0.309 120.046 120.500 -0.241 0.000 2.476 81 R HA 0.141 4.481 4.340 -0.000 0.000 0.276 81 R C -0.479 175.787 176.300 -0.056 0.000 0.941 81 R CA -0.124 55.905 56.100 -0.118 0.000 1.088 81 R CB 0.047 30.287 30.300 -0.101 0.000 1.216 81 R HN 0.276 nan 8.270 nan 0.000 0.533 82 H N 0.606 119.631 119.070 -0.075 0.000 2.626 82 H HA -0.198 4.358 4.556 -0.000 0.000 0.317 82 H C -0.258 175.015 175.328 -0.091 0.000 1.140 82 H CA 0.718 56.723 56.048 -0.072 0.000 1.134 82 H CB -1.091 28.642 29.762 -0.047 0.000 1.486 82 H HN 0.082 nan 8.280 nan 0.000 0.417 83 K N 1.432 121.764 120.400 -0.113 0.000 2.451 83 K HA 0.234 4.554 4.320 -0.000 0.000 0.280 83 K C 0.341 176.863 176.600 -0.129 0.000 1.020 83 K CA -0.172 55.970 56.287 -0.241 0.000 1.008 83 K CB 0.389 32.545 32.500 -0.573 0.000 0.917 83 K HN 0.400 nan 8.250 nan 0.000 0.478 84 I N 0.524 121.085 120.570 -0.015 0.000 2.562 84 I HA 0.411 4.581 4.170 -0.000 0.000 0.301 84 I C -0.314 175.975 176.117 0.287 0.000 1.003 84 I CA -0.821 60.573 61.300 0.157 0.000 1.127 84 I CB 1.717 39.770 38.000 0.089 0.000 1.304 84 I HN 0.424 nan 8.210 nan 0.000 0.446 85 R N 3.988 124.680 120.500 0.320 0.000 2.248 85 R HA 0.478 4.818 4.340 -0.000 0.000 0.337 85 R C 1.040 177.416 176.300 0.127 0.000 1.106 85 R CA 0.238 56.477 56.100 0.232 0.000 0.959 85 R CB 0.883 31.227 30.300 0.072 0.000 1.075 85 R HN 1.000 nan 8.270 nan 0.000 0.480 86 A N 4.024 126.913 122.820 0.116 0.000 2.084 86 A HA -0.213 4.107 4.320 -0.000 0.000 0.221 86 A C 1.296 178.914 177.584 0.057 0.000 1.161 86 A CA 1.585 53.666 52.037 0.073 0.000 0.653 86 A CB -0.169 18.869 19.000 0.062 0.000 0.802 86 A HN 0.794 nan 8.150 nan 0.000 0.457 87 D N -0.010 120.425 120.400 0.058 0.000 2.084 87 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 87 D C 1.710 178.034 176.300 0.039 0.000 0.990 87 D CA 1.437 55.465 54.000 0.047 0.000 0.826 87 D CB -0.205 40.623 40.800 0.047 0.000 0.971 87 D HN 0.500 nan 8.370 nan 0.000 0.453 88 L N -0.599 120.646 121.223 0.037 0.000 2.513 88 L HA 0.212 4.552 4.340 -0.000 0.000 0.222 88 L C 1.347 178.234 176.870 0.027 0.000 1.096 88 L CA 0.309 55.164 54.840 0.026 0.000 0.857 88 L CB 0.302 42.370 42.059 0.015 0.000 1.026 88 L HN 0.102 nan 8.230 nan 0.000 0.469 89 G N 1.852 110.674 108.800 0.037 0.000 2.176 89 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.252 89 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.252 89 G C 0.145 175.066 174.900 0.035 0.000 1.024 89 G CA 0.632 45.753 45.100 0.035 0.000 0.755 89 G HN 0.453 nan 8.290 nan 0.000 0.507 90 I N -2.359 118.238 120.570 0.045 0.000 2.846 90 I HA 0.851 5.021 4.170 -0.000 0.000 0.307 90 I C 0.630 176.796 176.117 0.081 0.000 1.053 90 I CA -0.741 60.586 61.300 0.046 0.000 1.050 90 I CB 1.995 40.013 38.000 0.029 0.000 1.239 90 I HN 0.295 nan 8.210 nan 0.000 0.439 91 S N 2.212 117.959 115.700 0.078 0.000 2.584 91 S HA 0.154 4.624 4.470 -0.000 0.000 0.270 91 S C 0.756 175.457 174.600 0.168 0.000 1.346 91 S CA -0.164 58.109 58.200 0.121 0.000 1.018 91 S CB 0.406 63.650 63.200 0.074 0.000 0.899 91 S HN 0.638 nan 8.310 nan 0.000 0.542 92 Y N 0.768 121.049 120.300 -0.032 0.000 2.207 92 Y HA -0.126 4.424 4.550 -0.000 0.000 0.287 92 Y C 2.614 178.464 175.900 -0.083 0.000 1.156 92 Y CA 1.715 59.794 58.100 -0.035 0.000 1.182 92 Y CB -0.679 37.761 38.460 -0.033 0.000 0.979 92 Y HN 0.960 nan 8.280 nan 0.000 0.521 93 E N 0.237 120.415 120.200 -0.036 0.000 2.077 93 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 93 E C 1.667 178.183 176.600 -0.140 0.000 0.989 93 E CA 1.647 57.845 56.400 -0.338 0.000 0.800 93 E CB -0.053 29.347 29.700 -0.501 0.000 0.746 93 E HN 0.572 nan 8.360 nan 0.000 0.452 94 E N -0.033 120.146 120.200 -0.035 0.000 2.285 94 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 94 E C 1.469 178.089 176.600 0.033 0.000 0.997 94 E CA 0.870 57.283 56.400 0.022 0.000 0.845 94 E CB 0.085 29.798 29.700 0.022 0.000 0.782 94 E HN 0.229 nan 8.360 nan 0.000 0.491 95 D N -0.231 120.177 120.400 0.014 0.000 2.224 95 D HA -0.096 4.543 4.640 -0.000 0.000 0.205 95 D C 1.718 178.036 176.300 0.030 0.000 0.965 95 D CA 0.447 54.443 54.000 -0.007 0.000 0.852 95 D CB 0.292 41.042 40.800 -0.083 0.000 0.947 95 D HN -0.057 nan 8.370 nan 0.000 0.494 96 V N 0.173 120.134 119.914 0.079 0.000 2.307 96 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 96 V C 2.376 178.562 176.094 0.152 0.000 1.045 96 V CA 1.033 63.423 62.300 0.150 0.000 1.024 96 V CB -0.376 31.616 31.823 0.282 0.000 0.651 96 V HN 0.232 nan 8.190 nan 0.000 0.449 97 L N -0.246 121.076 121.223 0.166 0.000 2.083 97 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 97 L C 2.539 179.452 176.870 0.072 0.000 1.083 97 L CA 1.830 56.745 54.840 0.125 0.000 0.752 97 L CB -0.855 41.286 42.059 0.137 0.000 0.899 97 L HN 0.230 nan 8.230 nan 0.000 0.433 98 R N -0.505 120.023 120.500 0.047 0.000 2.066 98 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 98 R C 2.309 178.600 176.300 -0.015 0.000 1.131 98 R CA 1.372 57.469 56.100 -0.005 0.000 0.955 98 R CB -0.310 29.974 30.300 -0.028 0.000 0.851 98 R HN 0.304 nan 8.270 nan 0.000 0.432 99 L N 0.312 121.563 121.223 0.047 0.000 2.131 99 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 99 L C 2.400 179.421 176.870 0.251 0.000 1.092 99 L CA 0.797 55.720 54.840 0.139 0.000 0.759 99 L CB -0.172 42.016 42.059 0.215 0.000 0.903 99 L HN 0.067 nan 8.230 nan 0.000 0.435 100 V N -0.465 119.554 119.914 0.175 0.000 2.307 100 V HA -0.297 3.823 4.120 -0.000 0.000 0.245 100 V C 2.008 178.190 176.094 0.148 0.000 1.045 100 V CA 2.019 64.420 62.300 0.168 0.000 1.024 100 V CB -0.427 31.456 31.823 0.100 0.000 0.651 100 V HN 0.389 nan 8.190 nan 0.000 0.449 101 D N -0.351 120.095 120.400 0.076 0.000 2.092 101 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 101 D C 2.070 178.379 176.300 0.015 0.000 0.994 101 D CA 1.553 55.576 54.000 0.038 0.000 0.828 101 D CB -0.285 40.517 40.800 0.003 0.000 0.963 101 D HN 0.217 nan 8.370 nan 0.000 0.450 102 V N -0.537 119.327 119.914 -0.084 0.000 2.548 102 V HA -0.159 3.961 4.120 -0.000 0.000 0.249 102 V C 1.672 177.711 176.094 -0.092 0.000 1.055 102 V CA 1.220 63.374 62.300 -0.244 0.000 1.065 102 V CB -0.361 31.077 31.823 -0.641 0.000 0.681 102 V HN 0.113 nan 8.190 nan 0.000 0.462 103 F N 0.682 120.682 119.950 0.084 0.000 2.206 103 F HA 0.020 4.547 4.527 -0.000 0.000 0.298 103 F C 2.564 178.538 175.800 0.290 0.000 1.090 103 F CA 1.515 59.672 58.000 0.261 0.000 1.323 103 F CB -0.389 38.714 39.000 0.171 0.000 1.028 103 F HN 0.045 nan 8.300 nan 0.000 0.492 104 R N -0.044 120.668 120.500 0.354 0.000 2.115 104 R HA -0.133 4.207 4.340 -0.000 0.000 0.230 104 R C 1.708 178.112 176.300 0.175 0.000 1.111 104 R CA 1.351 57.591 56.100 0.233 0.000 0.976 104 R CB -0.421 29.964 30.300 0.142 0.000 0.870 104 R HN 0.181 nan 8.270 nan 0.000 0.445 105 D N 0.264 120.749 120.400 0.142 0.000 2.178 105 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 105 D C 1.362 177.735 176.300 0.121 0.000 0.980 105 D CA 1.174 55.231 54.000 0.094 0.000 0.842 105 D CB -0.018 40.809 40.800 0.045 0.000 0.948 105 D HN 0.098 nan 8.370 nan 0.000 0.472 106 R N -0.631 120.004 120.500 0.225 0.000 2.320 106 R HA 0.189 4.529 4.340 -0.000 0.000 0.211 106 R C 0.919 177.270 176.300 0.084 0.000 0.931 106 R CA 0.425 56.667 56.100 0.237 0.000 1.071 106 R CB 0.339 30.922 30.300 0.471 0.000 1.025 106 R HN 0.140 nan 8.270 nan 0.000 0.495 107 G N 0.555 109.406 108.800 0.086 0.000 2.147 107 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.244 107 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.244 107 G C -0.054 174.777 174.900 -0.116 0.000 1.005 107 G CA -0.260 44.815 45.100 -0.042 0.000 0.713 107 G HN 0.209 nan 8.290 nan 0.000 0.515 108 F N -0.841 119.183 119.950 0.124 0.000 2.375 108 F HA 0.607 5.134 4.527 -0.000 0.000 0.333 108 F C 0.769 176.592 175.800 0.039 0.000 1.104 108 F CA -1.013 57.039 58.000 0.087 0.000 1.149 108 F CB 1.192 40.278 39.000 0.142 0.000 1.190 108 F HN 0.068 nan 8.300 nan 0.000 0.533 109 L N 4.160 125.491 121.223 0.180 0.000 2.325 109 L HA 0.486 4.826 4.340 -0.000 0.000 0.284 109 L C -0.938 175.967 176.870 0.058 0.000 1.089 109 L CA -0.011 54.882 54.840 0.087 0.000 0.836 109 L CB 0.110 42.196 42.059 0.044 0.000 1.184 109 L HN 0.324 nan 8.230 nan 0.000 0.444 110 V N 5.881 125.823 119.914 0.046 0.000 2.443 110 V HA 0.406 4.526 4.120 -0.000 0.000 0.293 110 V C 0.252 176.336 176.094 -0.017 0.000 1.021 110 V CA -0.190 62.117 62.300 0.011 0.000 0.848 110 V CB 1.164 33.010 31.823 0.039 0.000 0.998 110 V HN 0.880 nan 8.190 nan 0.000 0.424 111 E N 2.094 122.259 120.200 -0.059 0.000 2.702 111 E HA 0.211 4.561 4.350 -0.000 0.000 0.225 111 E C -0.384 176.003 176.600 -0.355 0.000 0.942 111 E CA -0.462 55.822 56.400 -0.193 0.000 1.210 111 E CB 0.497 30.050 29.700 -0.244 0.000 1.143 111 E HN 0.754 nan 8.360 nan 0.000 0.544 112 H N 0.419 119.457 119.070 -0.053 0.000 2.505 112 H HA 0.517 5.073 4.556 -0.000 0.000 0.338 112 H C -1.304 173.987 175.328 -0.062 0.000 1.057 112 H CA -0.738 55.269 56.048 -0.068 0.000 1.202 112 H CB 2.288 32.000 29.762 -0.083 0.000 1.466 112 H HN -0.102 nan 8.280 nan 0.000 0.499 113 V N 4.785 124.721 119.914 0.036 0.000 2.407 113 V HA 0.211 4.331 4.120 -0.000 0.000 0.291 113 V C -0.491 175.589 176.094 -0.022 0.000 1.018 113 V CA -0.780 61.523 62.300 0.005 0.000 0.842 113 V CB 1.713 33.517 31.823 -0.031 0.000 0.996 113 V HN 0.508 nan 8.190 nan 0.000 0.426 114 V N 6.592 126.474 119.914 -0.053 0.000 2.364 114 V HA 0.369 4.489 4.120 -0.000 0.000 0.272 114 V C -0.087 175.961 176.094 -0.076 0.000 1.036 114 V CA -0.437 61.773 62.300 -0.150 0.000 0.880 114 V CB 1.445 33.065 31.823 -0.338 0.000 0.991 114 V HN 0.646 nan 8.190 nan 0.000 0.460 115 L N 6.439 127.642 121.223 -0.033 0.000 2.268 115 L HA 0.451 4.791 4.340 -0.000 0.000 0.289 115 L C 0.818 177.717 176.870 0.048 0.000 1.064 115 L CA 0.423 55.291 54.840 0.046 0.000 0.824 115 L CB 1.338 43.444 42.059 0.079 0.000 1.202 115 L HN 0.903 nan 8.230 nan 0.000 0.433 116 T N 0.510 115.097 114.554 0.054 0.000 2.927 116 T HA 0.382 4.732 4.350 -0.000 0.000 0.281 116 T C 0.365 175.108 174.700 0.072 0.000 0.998 116 T CA -0.526 61.623 62.100 0.081 0.000 1.019 116 T CB 1.440 70.345 68.868 0.061 0.000 1.061 116 T HN 0.506 nan 8.240 nan 0.000 0.518 117 Q N -0.587 119.252 119.800 0.065 0.000 2.475 117 Q HA -0.124 4.216 4.340 -0.000 0.000 0.280 117 Q C -0.718 175.305 176.000 0.038 0.000 1.234 117 Q CA 0.231 56.055 55.803 0.035 0.000 0.873 117 Q CB -1.799 26.951 28.738 0.021 0.000 1.256 117 Q HN 0.741 nan 8.270 nan 0.000 0.475 118 L N 1.226 122.480 121.223 0.053 0.000 2.315 118 L HA 0.265 4.605 4.340 -0.000 0.000 0.283 118 L C 0.066 176.957 176.870 0.035 0.000 1.089 118 L CA 0.058 54.928 54.840 0.049 0.000 0.833 118 L CB 0.631 42.729 42.059 0.064 0.000 1.170 118 L HN 0.227 nan 8.230 nan 0.000 0.442 119 E N 3.459 123.675 120.200 0.027 0.000 2.179 119 E HA 0.181 4.531 4.350 -0.000 0.000 0.275 119 E C 0.072 176.686 176.600 0.022 0.000 0.945 119 E CA -0.613 55.799 56.400 0.020 0.000 0.792 119 E CB 1.181 30.889 29.700 0.013 0.000 1.125 119 E HN 0.519 nan 8.360 nan 0.000 0.397 120 N N 2.172 120.885 118.700 0.021 0.000 2.571 120 N HA -0.101 4.639 4.740 -0.000 0.000 0.189 120 N C 0.207 175.729 175.510 0.020 0.000 1.154 120 N CA 0.525 53.589 53.050 0.023 0.000 0.907 120 N CB 0.162 38.662 38.487 0.021 0.000 0.977 120 N HN 0.516 nan 8.380 nan 0.000 0.449 121 D N -1.322 119.088 120.400 0.017 0.000 2.349 121 D HA -0.032 4.607 4.640 -0.000 0.000 0.214 121 D C 0.196 176.505 176.300 0.015 0.000 1.063 121 D CA -0.151 53.858 54.000 0.015 0.000 0.847 121 D CB -0.481 40.325 40.800 0.011 0.000 0.933 121 D HN -0.179 nan 8.370 nan 0.000 0.513 122 N N 1.488 120.198 118.700 0.017 0.000 2.663 122 N HA 0.045 4.785 4.740 -0.000 0.000 0.250 122 N C 0.678 176.203 175.510 0.025 0.000 1.129 122 N CA -0.169 52.890 53.050 0.015 0.000 0.995 122 N CB 0.375 38.870 38.487 0.015 0.000 1.324 122 N HN 0.054 nan 8.380 nan 0.000 0.512 123 R N 2.082 122.597 120.500 0.024 0.000 2.189 123 R HA 0.019 4.359 4.340 -0.000 0.000 0.223 123 R C 1.686 178.012 176.300 0.044 0.000 1.092 123 R CA 0.834 56.954 56.100 0.033 0.000 0.989 123 R CB -0.227 30.091 30.300 0.030 0.000 0.876 123 R HN 0.396 nan 8.270 nan 0.000 0.457 124 L N 0.142 121.385 121.223 0.033 0.000 2.240 124 L HA 0.087 4.427 4.340 -0.000 0.000 0.211 124 L C 2.368 179.279 176.870 0.069 0.000 1.106 124 L CA 0.937 55.800 54.840 0.038 0.000 0.793 124 L CB -0.308 41.741 42.059 -0.016 0.000 0.927 124 L HN 0.367 nan 8.230 nan 0.000 0.446 125 A N 0.177 123.038 122.820 0.069 0.000 1.930 125 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 125 A C 2.172 179.850 177.584 0.156 0.000 1.176 125 A CA 1.013 53.128 52.037 0.130 0.000 0.632 125 A CB -0.425 18.630 19.000 0.091 0.000 0.819 125 A HN 0.451 nan 8.150 nan 0.000 0.445 126 L N -2.162 119.119 121.223 0.097 0.000 2.313 126 L HA 0.213 4.553 4.340 -0.000 0.000 0.214 126 L C 2.236 179.153 176.870 0.077 0.000 1.119 126 L CA 1.389 56.273 54.840 0.073 0.000 0.809 126 L CB -0.228 41.860 42.059 0.049 0.000 0.933 126 L HN 0.211 nan 8.230 nan 0.000 0.449 127 A N 0.149 123.030 122.820 0.102 0.000 1.929 127 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 127 A C 2.068 179.750 177.584 0.164 0.000 1.176 127 A CA 1.339 53.440 52.037 0.108 0.000 0.628 127 A CB -0.932 18.128 19.000 0.102 0.000 0.816 127 A HN 0.584 nan 8.150 nan 0.000 0.444 128 F N 0.542 120.505 119.950 0.022 0.000 2.293 128 F HA -0.035 4.492 4.527 -0.000 0.000 0.300 128 F C 1.769 177.581 175.800 0.020 0.000 1.086 128 F CA 0.680 58.694 58.000 0.024 0.000 1.375 128 F CB -0.272 38.743 39.000 0.026 0.000 1.045 128 F HN 0.175 nan 8.300 nan 0.000 0.516 129 I N 0.697 121.229 120.570 -0.063 0.000 2.202 129 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 129 I C 2.419 178.456 176.117 -0.133 0.000 1.091 129 I CA 1.805 63.009 61.300 -0.160 0.000 1.368 129 I CB -0.535 37.434 38.000 -0.052 0.000 1.058 129 I HN 0.204 nan 8.210 nan 0.000 0.410 130 E N 0.992 121.160 120.200 -0.053 0.000 2.208 130 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 130 E C 2.171 178.747 176.600 -0.040 0.000 0.988 130 E CA 0.740 57.118 56.400 -0.037 0.000 0.828 130 E CB -0.409 29.288 29.700 -0.004 0.000 0.763 130 E HN 0.439 nan 8.360 nan 0.000 0.478 131 R N 1.159 121.639 120.500 -0.033 0.000 2.092 131 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 131 R C 2.222 178.472 176.300 -0.082 0.000 1.119 131 R CA 0.885 56.981 56.100 -0.008 0.000 0.970 131 R CB -0.133 30.231 30.300 0.106 0.000 0.864 131 R HN 0.215 nan 8.270 nan 0.000 0.440 132 L N 0.070 121.159 121.223 -0.224 0.000 2.131 132 L HA -0.079 4.261 4.340 -0.000 0.000 0.206 132 L C 2.487 179.270 176.870 -0.144 0.000 1.087 132 L CA 1.225 55.916 54.840 -0.249 0.000 0.767 132 L CB -0.222 41.577 42.059 -0.434 0.000 0.917 132 L HN 0.265 nan 8.230 nan 0.000 0.441 133 Q N -0.438 119.290 119.800 -0.121 0.000 2.167 133 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 133 Q C 2.242 178.208 176.000 -0.056 0.000 0.970 133 Q CA 1.125 56.879 55.803 -0.082 0.000 0.855 133 Q CB 0.039 28.738 28.738 -0.065 0.000 0.911 133 Q HN 0.378 nan 8.270 nan 0.000 0.438 134 R N -0.027 120.446 120.500 -0.045 0.000 2.189 134 R HA -0.022 4.318 4.340 -0.000 0.000 0.218 134 R C 1.409 177.694 176.300 -0.025 0.000 1.074 134 R CA 0.648 56.732 56.100 -0.027 0.000 0.991 134 R CB 0.043 30.335 30.300 -0.014 0.000 0.883 134 R HN 0.229 nan 8.270 nan 0.000 0.457 135 L N -0.129 121.074 121.223 -0.032 0.000 2.612 135 L HA 0.203 4.543 4.340 -0.000 0.000 0.230 135 L C 0.741 177.591 176.870 -0.034 0.000 1.140 135 L CA 0.077 54.902 54.840 -0.026 0.000 0.896 135 L CB 0.387 42.435 42.059 -0.019 0.000 1.065 135 L HN 0.323 nan 8.230 nan 0.000 0.447 136 G N 1.245 110.018 108.800 -0.045 0.000 2.256 136 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.272 136 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.272 136 G C -0.147 174.708 174.900 -0.075 0.000 1.076 136 G CA -0.125 44.944 45.100 -0.053 0.000 0.882 136 G HN 0.297 nan 8.290 nan 0.000 0.497 137 I N 0.050 120.566 120.570 -0.090 0.000 2.404 137 I HA 0.328 4.498 4.170 -0.000 0.000 0.293 137 I C 0.581 176.616 176.117 -0.137 0.000 0.992 137 I CA -0.803 60.426 61.300 -0.118 0.000 1.149 137 I CB 1.495 39.431 38.000 -0.108 0.000 1.315 137 I HN -0.049 nan 8.210 nan 0.000 0.446 138 K N 5.368 125.653 120.400 -0.191 0.000 2.312 138 K HA 0.400 4.720 4.320 -0.000 0.000 0.287 138 K C -1.001 175.548 176.600 -0.085 0.000 1.062 138 K CA -0.364 55.826 56.287 -0.163 0.000 0.934 138 K CB 1.280 33.610 32.500 -0.283 0.000 1.027 138 K HN 0.291 nan 8.250 nan 0.000 0.478 139 V N 2.934 122.815 119.914 -0.054 0.000 2.357 139 V HA 0.156 4.276 4.120 -0.000 0.000 0.284 139 V C -0.322 175.771 176.094 -0.002 0.000 1.018 139 V CA -0.690 61.584 62.300 -0.043 0.000 0.841 139 V CB 1.499 33.271 31.823 -0.084 0.000 0.991 139 V HN 0.703 nan 8.190 nan 0.000 0.437 140 S N 5.157 120.861 115.700 0.006 0.000 2.451 140 S HA 0.615 5.085 4.470 -0.000 0.000 0.301 140 S C -0.170 174.458 174.600 0.048 0.000 1.116 140 S CA -0.858 57.359 58.200 0.028 0.000 1.093 140 S CB 1.195 64.395 63.200 0.001 0.000 1.017 140 S HN 0.684 nan 8.310 nan 0.000 0.482 141 R N 2.173 122.743 120.500 0.116 0.000 2.254 141 R HA 0.429 4.769 4.340 -0.000 0.000 0.318 141 R C -0.334 176.145 176.300 0.298 0.000 1.031 141 R CA -0.287 55.899 56.100 0.143 0.000 0.905 141 R CB 0.667 31.023 30.300 0.093 0.000 1.050 141 R HN 0.673 nan 8.270 nan 0.000 0.456 142 H N 2.107 121.193 119.070 0.028 0.000 2.572 142 H HA 0.456 5.012 4.556 -0.000 0.000 0.359 142 H C -0.086 175.256 175.328 0.023 0.000 1.134 142 H CA -1.166 54.901 56.048 0.032 0.000 1.187 142 H CB 1.655 31.431 29.762 0.023 0.000 1.597 142 H HN 0.249 nan 8.280 nan 0.000 0.524 143 R N 1.225 121.771 120.500 0.076 0.000 2.875 143 R HA 0.345 4.685 4.340 -0.000 0.000 0.251 143 R C -0.605 175.692 176.300 -0.004 0.000 1.123 143 R CA -1.162 54.957 56.100 0.031 0.000 1.064 143 R CB 1.375 31.681 30.300 0.011 0.000 1.205 143 R HN 0.253 nan 8.270 nan 0.000 0.503 144 V N 2.706 122.613 119.914 -0.013 0.000 2.470 144 V HA 0.176 4.296 4.120 -0.000 0.000 0.276 144 V C 0.656 176.719 176.094 -0.052 0.000 1.040 144 V CA -0.032 62.248 62.300 -0.034 0.000 1.008 144 V CB 0.233 32.047 31.823 -0.016 0.000 0.990 144 V HN 0.431 nan 8.190 nan 0.000 0.477 145 I N 8.195 128.714 120.570 -0.086 0.000 2.304 145 I HA 0.323 4.493 4.170 -0.000 0.000 0.291 145 I C -1.957 174.141 176.117 -0.032 0.000 1.018 145 I CA -1.820 59.427 61.300 -0.089 0.000 1.260 145 I CB 1.486 39.388 38.000 -0.163 0.000 1.390 145 I HN 0.460 nan 8.210 nan 0.000 0.475 146 P HA 0.169 nan 4.420 nan 0.000 0.276 146 P C 0.726 178.010 177.300 -0.026 0.000 1.235 146 P CA 0.218 63.306 63.100 -0.020 0.000 0.772 146 P CB 1.217 32.900 31.700 -0.028 0.000 0.871 147 G N 1.675 110.468 108.800 -0.011 0.000 2.176 147 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.253 147 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.253 147 G C -0.232 174.647 174.900 -0.035 0.000 0.979 147 G CA -0.202 44.877 45.100 -0.035 0.000 0.641 147 G HN 0.597 nan 8.290 nan 0.000 0.530 148 Y N 2.128 122.359 120.300 -0.116 0.000 2.319 148 Y HA 0.521 5.071 4.550 -0.000 0.000 0.328 148 Y C -0.949 174.910 175.900 -0.068 0.000 1.133 148 Y CA -1.031 57.000 58.100 -0.116 0.000 1.265 148 Y CB 1.482 39.873 38.460 -0.117 0.000 1.218 148 Y HN 0.037 nan 8.280 nan 0.000 0.508 149 P HA 0.097 nan 4.420 nan 0.000 0.266 149 P C 0.616 177.657 177.300 -0.431 0.000 1.381 149 P CA 0.384 62.964 63.100 -0.867 0.000 0.940 149 P CB 0.255 31.426 31.700 -0.881 0.000 1.435 150 T N -4.617 109.789 114.554 -0.247 0.000 3.010 150 T HA 0.012 4.362 4.350 -0.000 0.000 0.252 150 T C 0.849 175.462 174.700 -0.146 0.000 1.047 150 T CA 0.404 62.404 62.100 -0.167 0.000 1.140 150 T CB -0.613 68.191 68.868 -0.106 0.000 0.885 150 T HN -0.118 nan 8.240 nan 0.000 0.464 151 D N 1.591 121.909 120.400 -0.137 0.000 2.470 151 D HA 0.172 4.812 4.640 -0.000 0.000 0.226 151 D C 1.199 177.415 176.300 -0.140 0.000 1.196 151 D CA -0.281 53.650 54.000 -0.115 0.000 0.979 151 D CB 0.418 41.163 40.800 -0.092 0.000 1.059 151 D HN 0.146 nan 8.370 nan 0.000 0.515 152 M N 1.270 120.790 119.600 -0.133 0.000 2.149 152 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 152 M C 1.037 177.264 176.300 -0.122 0.000 1.064 152 M CA 1.122 56.340 55.300 -0.136 0.000 1.102 152 M CB -0.445 32.090 32.600 -0.109 0.000 1.369 152 M HN 0.227 nan 8.290 nan 0.000 0.408 153 D N -0.069 120.273 120.400 -0.098 0.000 2.117 153 D HA -0.088 4.552 4.640 -0.000 0.000 0.198 153 D C 2.273 178.512 176.300 -0.102 0.000 0.982 153 D CA 0.890 54.841 54.000 -0.081 0.000 0.828 153 D CB -0.174 40.589 40.800 -0.060 0.000 0.967 153 D HN 0.252 nan 8.370 nan 0.000 0.464 154 R N 0.172 120.601 120.500 -0.119 0.000 2.066 154 R HA 0.002 4.342 4.340 -0.000 0.000 0.232 154 R C 2.509 178.677 176.300 -0.220 0.000 1.131 154 R CA 0.530 56.548 56.100 -0.137 0.000 0.955 154 R CB -0.457 29.773 30.300 -0.116 0.000 0.851 154 R HN 0.287 nan 8.270 nan 0.000 0.432 155 I N 0.692 121.093 120.570 -0.281 0.000 2.179 155 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 155 I C 1.016 176.767 176.117 -0.610 0.000 1.088 155 I CA 0.952 61.948 61.300 -0.507 0.000 1.357 155 I CB -0.087 37.619 38.000 -0.489 0.000 1.051 155 I HN -0.163 nan 8.210 nan 0.000 0.409 156 V N 2.211 121.922 119.914 -0.338 0.000 2.056 156 V HA 0.227 4.347 4.120 -0.000 0.000 0.267 156 V C 0.139 176.174 176.094 -0.098 0.000 1.535 156 V CA -0.043 62.137 62.300 -0.199 0.000 1.475 156 V CB -1.587 30.239 31.823 0.005 0.000 1.441 156 V HN 0.508 nan 8.190 nan 0.000 0.500 157 S N -0.164 115.405 115.700 -0.218 0.000 2.703 157 S HA 0.349 4.819 4.470 -0.000 0.000 0.273 157 S C 0.027 174.586 174.600 -0.068 0.000 1.178 157 S CA -0.559 57.614 58.200 -0.045 0.000 0.838 157 S CB 1.437 64.604 63.200 -0.055 0.000 1.178 157 S HN 0.211 nan 8.310 nan 0.000 0.494 158 D N 0.859 121.270 120.400 0.018 0.000 2.219 158 D HA 0.047 4.687 4.640 -0.000 0.000 0.205 158 D C 1.220 177.506 176.300 -0.023 0.000 0.970 158 D CA 0.991 55.009 54.000 0.029 0.000 0.851 158 D CB -0.032 40.794 40.800 0.043 0.000 0.943 158 D HN 0.518 nan 8.370 nan 0.000 0.488 159 E N -0.031 120.136 120.200 -0.055 0.000 2.502 159 E HA 0.130 4.480 4.350 -0.000 0.000 0.194 159 E C 1.366 177.893 176.600 -0.121 0.000 1.062 159 E CA 0.099 56.458 56.400 -0.068 0.000 0.867 159 E CB 0.456 30.121 29.700 -0.058 0.000 0.888 159 E HN 0.327 nan 8.360 nan 0.000 0.510 160 G N -0.378 108.305 108.800 -0.196 0.000 2.930 160 G HA2 0.086 4.046 3.960 -0.000 0.000 0.209 160 G HA3 0.086 4.046 3.960 -0.000 0.000 0.209 160 G C 0.943 175.657 174.900 -0.309 0.000 2.018 160 G CA -0.414 44.490 45.100 -0.326 0.000 0.751 160 G HN 0.119 nan 8.290 nan 0.000 0.770 161 F N 1.715 121.395 119.950 -0.450 0.000 2.333 161 F HA 0.028 4.555 4.527 -0.000 0.000 0.300 161 F C 2.802 178.412 175.800 -0.316 0.000 1.083 161 F CA 0.419 58.122 58.000 -0.494 0.000 1.395 161 F CB 0.248 38.749 39.000 -0.832 0.000 1.056 161 F HN 0.342 nan 8.300 nan 0.000 0.529 162 G N 0.145 108.876 108.800 -0.116 0.000 2.559 162 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 162 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 162 G C 1.557 176.543 174.900 0.144 0.000 1.126 162 G CA 0.294 45.467 45.100 0.121 0.000 0.778 162 G HN 0.312 nan 8.290 nan 0.000 0.543 163 L N 0.119 121.378 121.223 0.060 0.000 2.217 163 L HA 0.074 4.414 4.340 -0.000 0.000 0.211 163 L C 0.634 177.539 176.870 0.058 0.000 1.107 163 L CA 0.061 54.928 54.840 0.045 0.000 0.783 163 L CB -0.411 41.646 42.059 -0.004 0.000 0.919 163 L HN 0.053 nan 8.230 nan 0.000 0.442 164 N N 1.030 119.766 118.700 0.061 0.000 2.530 164 N HA 0.107 4.847 4.740 -0.000 0.000 0.273 164 N C -0.073 175.440 175.510 0.006 0.000 1.173 164 N CA 0.053 53.053 53.050 -0.083 0.000 0.967 164 N CB 0.589 38.771 38.487 -0.508 0.000 1.109 164 N HN 0.150 nan 8.380 nan 0.000 0.453 165 E N 0.342 120.559 120.200 0.030 0.000 2.392 165 E HA 0.041 4.391 4.350 -0.000 0.000 0.256 165 E C -0.799 175.808 176.600 0.012 0.000 1.145 165 E CA -0.127 56.294 56.400 0.035 0.000 0.929 165 E CB 0.786 30.544 29.700 0.095 0.000 0.998 165 E HN 0.492 nan 8.360 nan 0.000 0.442 166 Y N 0.108 120.286 120.300 -0.204 0.000 2.335 166 Y HA 0.454 5.004 4.550 -0.000 0.000 0.338 166 Y C -0.767 175.078 175.900 -0.092 0.000 0.977 166 Y CA -0.981 56.982 58.100 -0.229 0.000 1.114 166 Y CB 1.097 39.343 38.460 -0.356 0.000 1.182 166 Y HN 0.526 nan 8.280 nan 0.000 0.463 167 A N 5.122 127.531 122.820 -0.684 0.000 2.396 167 A HA 0.237 4.557 4.320 -0.000 0.000 0.279 167 A C -0.369 176.428 177.584 -1.312 0.000 1.165 167 A CA -0.545 50.986 52.037 -0.844 0.000 0.824 167 A CB -0.243 18.304 19.000 -0.754 0.000 1.100 167 A HN 0.863 nan 8.150 nan 0.000 0.516 168 E N 2.552 122.329 120.200 -0.706 0.000 1.842 168 E HA 0.184 4.534 4.350 -0.000 0.000 0.278 168 E C 0.369 176.878 176.600 -0.152 0.000 1.171 168 E CA 0.112 56.320 56.400 -0.320 0.000 1.127 168 E CB -0.294 29.445 29.700 0.065 0.000 1.100 168 E HN 0.659 nan 8.360 nan 0.000 0.456 169 T N -1.258 113.129 114.554 -0.278 0.000 2.884 169 T HA 0.122 4.472 4.350 -0.000 0.000 0.298 169 T C 1.061 175.767 174.700 0.010 0.000 0.998 169 T CA -0.637 61.395 62.100 -0.113 0.000 1.124 169 T CB 1.498 70.287 68.868 -0.131 0.000 0.931 169 T HN 0.195 nan 8.240 nan 0.000 0.531 170 T N 1.685 116.258 114.554 0.032 0.000 2.983 170 T HA 0.159 4.509 4.350 -0.000 0.000 0.250 170 T C 0.988 175.685 174.700 -0.005 0.000 1.037 170 T CA 0.263 62.379 62.100 0.026 0.000 1.142 170 T CB 0.010 68.897 68.868 0.032 0.000 0.876 170 T HN 0.415 nan 8.240 nan 0.000 0.455 171 R N 1.396 121.879 120.500 -0.027 0.000 2.532 171 R HA 0.337 4.677 4.340 -0.000 0.000 0.272 171 R C 0.355 176.600 176.300 -0.092 0.000 1.032 171 R CA -0.347 55.724 56.100 -0.049 0.000 1.089 171 R CB 0.440 30.714 30.300 -0.043 0.000 1.098 171 R HN -0.024 nan 8.270 nan 0.000 0.526 172 D N 0.363 120.710 120.400 -0.089 0.000 2.355 172 D HA 0.017 4.657 4.640 -0.000 0.000 0.218 172 D C -0.427 175.780 176.300 -0.156 0.000 1.004 172 D CA 0.640 54.574 54.000 -0.111 0.000 0.880 172 D CB 0.233 40.988 40.800 -0.074 0.000 0.911 172 D HN -0.035 nan 8.370 nan 0.000 0.528 173 L N 1.112 122.242 121.223 -0.155 0.000 2.377 173 L HA 0.314 4.654 4.340 -0.000 0.000 0.270 173 L C -1.210 175.541 176.870 -0.198 0.000 0.991 173 L CA -0.787 53.951 54.840 -0.170 0.000 0.851 173 L CB 1.743 43.733 42.059 -0.115 0.000 1.218 173 L HN -0.364 nan 8.230 nan 0.000 0.420 174 V N 5.945 125.680 119.914 -0.299 0.000 2.347 174 V HA 0.398 4.518 4.120 -0.000 0.000 0.280 174 V C -0.009 176.009 176.094 -0.127 0.000 1.021 174 V CA -0.726 61.418 62.300 -0.260 0.000 0.847 174 V CB 1.606 33.154 31.823 -0.459 0.000 0.990 174 V HN 0.450 nan 8.190 nan 0.000 0.444 175 V N 6.445 126.292 119.914 -0.112 0.000 2.389 175 V HA 0.240 4.359 4.120 -0.000 0.000 0.264 175 V C 0.130 176.199 176.094 -0.041 0.000 1.049 175 V CA -0.221 62.024 62.300 -0.092 0.000 0.932 175 V CB 1.532 33.243 31.823 -0.187 0.000 1.011 175 V HN 0.628 nan 8.190 nan 0.000 0.475 176 V N 5.297 125.241 119.914 0.051 0.000 2.333 176 V HA 0.517 4.637 4.120 -0.000 0.000 0.274 176 V C 0.317 176.466 176.094 0.093 0.000 1.028 176 V CA 0.061 62.414 62.300 0.089 0.000 0.851 176 V CB 1.407 33.328 31.823 0.163 0.000 1.000 176 V HN 0.950 nan 8.190 nan 0.000 0.456 177 T N 3.360 117.957 114.554 0.072 0.000 2.742 177 T HA 0.948 5.298 4.350 -0.000 0.000 0.282 177 T C -0.803 173.953 174.700 0.092 0.000 1.025 177 T CA 0.216 62.376 62.100 0.101 0.000 1.020 177 T CB 2.077 71.024 68.868 0.132 0.000 1.317 177 T HN 1.122 nan 8.240 nan 0.000 0.538 178 A N 0.780 123.655 122.820 0.091 0.000 2.566 178 A HA 0.699 5.019 4.320 -0.000 0.000 0.290 178 A C -2.601 174.977 177.584 -0.010 0.000 1.071 178 A CA -0.968 51.102 52.037 0.055 0.000 0.658 178 A CB 0.321 19.363 19.000 0.069 0.000 1.285 178 A HN 0.547 nan 8.150 nan 0.000 0.427 179 P HA 0.226 nan 4.420 nan 0.000 0.226 179 P C 0.719 177.780 177.300 -0.398 0.000 1.153 179 P CA 1.727 64.598 63.100 -0.382 0.000 0.777 179 P CB 0.236 31.436 31.700 -0.833 0.000 0.794 180 G N -2.294 106.403 108.800 -0.172 0.000 2.315 180 G HA2 0.294 4.254 3.960 -0.000 0.000 0.294 180 G HA3 0.294 4.254 3.960 -0.000 0.000 0.294 180 G C -3.401 171.591 174.900 0.154 0.000 1.300 180 G CA -0.857 44.260 45.100 0.029 0.000 0.843 180 G HN -0.364 nan 8.290 nan 0.000 0.527 181 P HA 0.398 nan 4.420 nan 0.000 0.269 181 P C 0.969 178.376 177.300 0.179 0.000 1.215 181 P CA 1.842 65.039 63.100 0.163 0.000 0.780 181 P CB 0.912 32.697 31.700 0.141 0.000 0.898 182 G N 0.709 109.595 108.800 0.144 0.000 2.157 182 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 182 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 182 G C 1.008 175.981 174.900 0.121 0.000 0.979 182 G CA 0.396 45.567 45.100 0.119 0.000 0.650 182 G HN 0.470 nan 8.290 nan 0.000 0.529 183 S N -0.306 115.479 115.700 0.142 0.000 2.548 183 S HA 0.407 4.877 4.470 -0.000 0.000 0.215 183 S C 1.931 176.586 174.600 0.092 0.000 0.976 183 S CA 1.206 59.487 58.200 0.135 0.000 0.908 183 S CB 0.178 63.467 63.200 0.148 0.000 0.781 183 S HN 2.193 nan 8.310 nan 0.000 0.519 184 G N 2.124 110.974 108.800 0.083 0.000 2.171 184 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.238 184 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.238 184 G C 0.668 175.603 174.900 0.059 0.000 1.039 184 G CA 0.477 45.612 45.100 0.058 0.000 0.759 184 G HN 0.437 nan 8.290 nan 0.000 0.501 185 K N -0.928 119.522 120.400 0.083 0.000 2.026 185 K HA -0.032 4.288 4.320 -0.000 0.000 0.208 185 K C 2.553 179.205 176.600 0.086 0.000 1.048 185 K CA 1.609 57.952 56.287 0.093 0.000 0.929 185 K CB -0.144 32.435 32.500 0.131 0.000 0.713 185 K HN 0.421 nan 8.250 nan 0.000 0.439 186 L N 1.149 122.422 121.223 0.084 0.000 2.017 186 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 186 L C 2.217 179.068 176.870 -0.031 0.000 1.073 186 L CA 1.945 56.788 54.840 0.004 0.000 0.745 186 L CB -0.724 41.350 42.059 0.025 0.000 0.894 186 L HN 0.136 nan 8.230 nan 0.000 0.432 187 A N -1.554 121.284 122.820 0.030 0.000 1.933 187 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 187 A C 2.248 179.836 177.584 0.007 0.000 1.175 187 A CA 2.240 54.300 52.037 0.037 0.000 0.628 187 A CB -1.221 17.735 19.000 -0.073 0.000 0.814 187 A HN 0.544 nan 8.150 nan 0.000 0.444 188 T N -0.765 113.805 114.554 0.027 0.000 2.708 188 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 188 T C 1.919 176.555 174.700 -0.107 0.000 1.037 188 T CA 1.561 63.672 62.100 0.018 0.000 1.146 188 T CB -0.692 68.142 68.868 -0.056 0.000 0.865 188 T HN 0.580 nan 8.240 nan 0.000 0.435 189 C N 1.046 120.289 119.300 -0.095 0.000 2.413 189 C HA 0.017 4.477 4.460 -0.000 0.000 0.276 189 C C 2.712 177.549 174.990 -0.256 0.000 1.236 189 C CA 0.517 59.459 59.018 -0.126 0.000 1.735 189 C CB -1.369 26.442 27.740 0.119 0.000 2.031 189 C HN 0.519 nan 8.230 nan 0.000 0.474 190 L N 0.146 121.196 121.223 -0.289 0.000 2.156 190 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 190 L C 2.728 179.075 176.870 -0.872 0.000 1.095 190 L CA 1.375 55.976 54.840 -0.398 0.000 0.770 190 L CB -0.753 41.191 42.059 -0.193 0.000 0.914 190 L HN 0.352 nan 8.230 nan 0.000 0.439 191 S N -0.704 114.385 115.700 -1.018 0.000 2.383 191 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 191 S C 2.033 176.489 174.600 -0.241 0.000 1.026 191 S CA 1.075 58.703 58.200 -0.953 0.000 0.981 191 S CB 0.011 62.962 63.200 -0.415 0.000 0.818 191 S HN 0.372 nan 8.310 nan 0.000 0.472 192 Q N 0.596 120.247 119.800 -0.247 0.000 2.079 192 Q HA -0.034 4.306 4.340 -0.000 0.000 0.200 192 Q C 2.421 178.359 176.000 -0.104 0.000 0.974 192 Q CA 1.294 56.961 55.803 -0.226 0.000 0.840 192 Q CB -0.896 27.248 28.738 -0.990 0.000 0.898 192 Q HN 0.490 nan 8.270 nan 0.000 0.430 193 V N 0.655 120.476 119.914 -0.156 0.000 2.332 193 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 193 V C 2.105 178.289 176.094 0.150 0.000 1.055 193 V CA 1.938 64.291 62.300 0.088 0.000 1.038 193 V CB -0.788 31.091 31.823 0.095 0.000 0.651 193 V HN 0.312 nan 8.190 nan 0.000 0.450 194 Y N 0.553 120.778 120.300 -0.126 0.000 2.097 194 Y HA -0.288 4.262 4.550 -0.000 0.000 0.282 194 Y C 2.747 178.582 175.900 -0.108 0.000 1.152 194 Y CA 2.218 60.241 58.100 -0.129 0.000 1.136 194 Y CB -0.503 37.830 38.460 -0.213 0.000 0.975 194 Y HN 0.337 nan 8.280 nan 0.000 0.498 195 H N -0.287 118.777 119.070 -0.010 0.000 2.421 195 H HA -0.110 4.446 4.556 -0.000 0.000 0.298 195 H C 2.045 177.199 175.328 -0.290 0.000 1.087 195 H CA 1.807 57.746 56.048 -0.182 0.000 1.330 195 H CB 0.016 29.710 29.762 -0.114 0.000 1.388 195 H HN 0.566 nan 8.280 nan 0.000 0.526 196 E N -0.452 119.738 120.200 -0.016 0.000 2.158 196 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 196 E C 1.880 178.435 176.600 -0.076 0.000 0.982 196 E CA 0.247 56.628 56.400 -0.031 0.000 0.823 196 E CB 0.170 29.949 29.700 0.133 0.000 0.766 196 E HN 0.482 nan 8.360 nan 0.000 0.468 197 H N 0.333 119.340 119.070 -0.105 0.000 2.421 197 H HA -0.026 4.530 4.556 -0.000 0.000 0.298 197 H C 1.766 176.989 175.328 -0.175 0.000 1.087 197 H CA 1.143 57.119 56.048 -0.121 0.000 1.330 197 H CB 0.311 30.003 29.762 -0.116 0.000 1.388 197 H HN -0.104 nan 8.280 nan 0.000 0.526 198 K N 0.481 120.785 120.400 -0.161 0.000 2.148 198 K HA -0.034 4.286 4.320 -0.000 0.000 0.204 198 K C 1.446 177.961 176.600 -0.141 0.000 1.050 198 K CA 0.920 57.083 56.287 -0.206 0.000 0.942 198 K CB 0.046 32.355 32.500 -0.320 0.000 0.724 198 K HN 0.346 nan 8.250 nan 0.000 0.446 199 R N -0.409 120.006 120.500 -0.142 0.000 2.356 199 R HA 0.069 4.409 4.340 -0.000 0.000 0.234 199 R C 0.963 177.207 176.300 -0.094 0.000 0.929 199 R CA 0.459 56.489 56.100 -0.117 0.000 1.084 199 R CB 0.266 30.479 30.300 -0.144 0.000 1.105 199 R HN 0.322 nan 8.270 nan 0.000 0.515 200 G N 0.394 109.134 108.800 -0.100 0.000 2.179 200 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 200 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 200 G C 0.248 175.075 174.900 -0.121 0.000 0.977 200 G CA 0.111 45.155 45.100 -0.094 0.000 0.641 200 G HN 0.173 nan 8.290 nan 0.000 0.533 201 V N 1.560 121.391 119.914 -0.137 0.000 2.530 201 V HA 0.629 4.749 4.120 -0.000 0.000 0.282 201 V C 1.017 176.953 176.094 -0.263 0.000 1.048 201 V CA -0.105 62.113 62.300 -0.136 0.000 0.997 201 V CB 1.360 33.144 31.823 -0.065 0.000 0.987 201 V HN 1.090 nan 8.190 nan 0.000 0.477 202 A N 4.767 127.452 122.820 -0.226 0.000 2.396 202 A HA 0.712 5.032 4.320 -0.000 0.000 0.279 202 A C 0.362 177.857 177.584 -0.148 0.000 1.165 202 A CA 0.243 52.113 52.037 -0.279 0.000 0.824 202 A CB -0.024 18.894 19.000 -0.137 0.000 1.100 202 A HN 1.309 nan 8.150 nan 0.000 0.516 203 A N 2.282 125.030 122.820 -0.121 0.000 2.454 203 A HA 0.938 5.258 4.320 -0.000 0.000 0.302 203 A C 0.099 177.831 177.584 0.247 0.000 1.079 203 A CA -0.047 52.065 52.037 0.125 0.000 0.731 203 A CB 1.730 20.872 19.000 0.236 0.000 1.299 203 A HN 1.876 nan 8.150 nan 0.000 0.413 204 G N -0.983 107.961 108.800 0.240 0.000 2.672 204 G HA2 0.559 4.519 3.960 -0.000 0.000 0.292 204 G HA3 0.559 4.519 3.960 -0.000 0.000 0.292 204 G C -1.879 173.215 174.900 0.323 0.000 1.375 204 G CA -0.445 44.798 45.100 0.238 0.000 0.890 204 G HN 1.084 nan 8.290 nan 0.000 0.476 205 Y N 0.450 120.875 120.300 0.208 0.000 2.409 205 Y HA 0.777 5.327 4.550 -0.000 0.000 0.339 205 Y C -0.110 175.969 175.900 0.297 0.000 1.033 205 Y CA -0.599 57.644 58.100 0.239 0.000 1.094 205 Y CB 1.905 40.491 38.460 0.210 0.000 1.210 205 Y HN 0.922 nan 8.280 nan 0.000 0.456 206 A N 5.458 127.852 122.820 -0.710 0.000 2.594 206 A HA 0.660 4.980 4.320 -0.000 0.000 0.291 206 A C -1.825 175.236 177.584 -0.873 0.000 1.105 206 A CA -1.126 50.482 52.037 -0.715 0.000 0.694 206 A CB 1.819 20.699 19.000 -0.201 0.000 1.291 206 A HN 0.691 nan 8.150 nan 0.000 0.410 207 K N 0.098 120.211 120.400 -0.479 0.000 2.259 207 K HA 0.659 4.979 4.320 -0.000 0.000 0.249 207 K C -2.070 174.559 176.600 0.049 0.000 0.942 207 K CA -0.482 55.719 56.287 -0.144 0.000 0.816 207 K CB 1.489 33.978 32.500 -0.018 0.000 1.155 207 K HN 0.591 nan 8.250 nan 0.000 0.428 208 F N 2.943 122.877 119.950 -0.028 0.000 2.499 208 F HA 0.399 4.926 4.527 -0.000 0.000 0.333 208 F C -1.127 174.690 175.800 0.027 0.000 1.138 208 F CA -0.334 57.668 58.000 0.004 0.000 0.945 208 F CB 1.360 40.368 39.000 0.014 0.000 1.181 208 F HN 0.530 nan 8.300 nan 0.000 0.435 209 E N 3.328 123.188 120.200 -0.567 0.000 2.321 209 E HA 0.229 4.579 4.350 -0.000 0.000 0.278 209 E C -0.238 175.966 176.600 -0.660 0.000 0.902 209 E CA -0.467 55.604 56.400 -0.549 0.000 0.758 209 E CB 2.365 31.939 29.700 -0.209 0.000 1.213 209 E HN 0.624 nan 8.360 nan 0.000 0.426 210 T N 1.804 115.923 114.554 -0.726 0.000 2.896 210 T HA 0.100 4.450 4.350 -0.000 0.000 0.263 210 T C 0.129 174.241 174.700 -0.980 0.000 1.050 210 T CA 1.019 62.582 62.100 -0.895 0.000 1.140 210 T CB 0.062 68.248 68.868 -1.137 0.000 0.877 210 T HN 0.264 nan 8.240 nan 0.000 0.457 211 F N 1.610 121.321 119.950 -0.398 0.000 2.532 211 F HA 0.453 4.980 4.527 -0.000 0.000 0.321 211 F C -2.315 172.983 175.800 -0.836 0.000 1.089 211 F CA -2.868 54.789 58.000 -0.571 0.000 0.926 211 F CB 1.672 40.327 39.000 -0.574 0.000 1.168 211 F HN -0.200 nan 8.300 nan 0.000 0.459 212 P HA 0.207 nan 4.420 nan 0.000 0.274 212 P C -0.589 176.678 177.300 -0.055 0.000 1.246 212 P CA -0.117 62.825 63.100 -0.263 0.000 0.795 212 P CB 1.233 32.852 31.700 -0.135 0.000 1.006 213 I N 2.556 123.128 120.570 0.002 0.000 2.322 213 I HA 0.072 4.242 4.170 -0.000 0.000 0.292 213 I C 1.960 178.027 176.117 -0.083 0.000 1.060 213 I CA -0.585 60.670 61.300 -0.075 0.000 1.309 213 I CB 0.350 38.267 38.000 -0.139 0.000 1.415 213 I HN 0.582 nan 8.210 nan 0.000 0.492 214 W N 7.247 128.491 121.300 -0.092 0.000 2.342 214 W HA -0.207 4.453 4.660 -0.000 0.000 0.297 214 W C 1.031 177.496 176.519 -0.089 0.000 1.213 214 W CA 1.357 58.643 57.345 -0.098 0.000 1.251 214 W CB -0.860 28.517 29.460 -0.139 0.000 1.136 214 W HN 0.642 nan 8.180 nan 0.000 0.526 215 N N 0.884 118.956 118.700 -1.046 0.000 2.276 215 N HA 0.156 4.896 4.740 -0.000 0.000 0.212 215 N C -0.134 175.076 175.510 -0.501 0.000 1.127 215 N CA 0.171 52.644 53.050 -0.962 0.000 0.834 215 N CB -0.667 36.833 38.487 -1.644 0.000 1.014 215 N HN 0.179 nan 8.380 nan 0.000 0.491 216 L N 1.119 122.127 121.223 -0.357 0.000 2.325 216 L HA 0.518 4.858 4.340 -0.000 0.000 0.278 216 L C -2.128 174.678 176.870 -0.105 0.000 1.023 216 L CA -2.221 52.464 54.840 -0.259 0.000 0.811 216 L CB 1.953 43.795 42.059 -0.362 0.000 1.249 216 L HN -0.116 nan 8.230 nan 0.000 0.431 217 P HA -0.031 nan 4.420 nan 0.000 0.268 217 P C 0.784 178.129 177.300 0.075 0.000 1.208 217 P CA -0.112 63.015 63.100 0.044 0.000 0.777 217 P CB 1.116 32.861 31.700 0.076 0.000 0.875 218 L N 1.386 122.651 121.223 0.069 0.000 2.191 218 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 218 L C 1.953 178.870 176.870 0.077 0.000 1.103 218 L CA 1.485 56.372 54.840 0.078 0.000 0.769 218 L CB -0.294 41.807 42.059 0.071 0.000 0.908 218 L HN 0.449 nan 8.230 nan 0.000 0.438 219 E N -1.729 118.513 120.200 0.070 0.000 2.444 219 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 219 E C 0.157 176.786 176.600 0.049 0.000 1.041 219 E CA -0.172 56.255 56.400 0.046 0.000 0.883 219 E CB -0.390 29.323 29.700 0.022 0.000 1.024 219 E HN 0.406 nan 8.360 nan 0.000 0.470 220 H N 2.300 121.369 119.070 -0.002 0.000 2.722 220 H HA 0.107 4.663 4.556 -0.000 0.000 0.328 220 H C -1.673 173.648 175.328 -0.011 0.000 1.067 220 H CA -1.671 54.372 56.048 -0.008 0.000 1.447 220 H CB 1.746 31.502 29.762 -0.010 0.000 1.469 220 H HN -0.197 nan 8.280 nan 0.000 0.544 221 P HA -0.198 nan 4.420 nan 0.000 0.216 221 P C 1.682 179.023 177.300 0.069 0.000 1.150 221 P CA 0.833 63.914 63.100 -0.031 0.000 0.843 221 P CB 0.351 31.979 31.700 -0.120 0.000 0.787 222 V N -0.013 120.057 119.914 0.261 0.000 2.295 222 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 222 V C 2.184 178.299 176.094 0.035 0.000 1.049 222 V CA 2.062 64.431 62.300 0.116 0.000 1.024 222 V CB -1.219 30.688 31.823 0.140 0.000 0.648 222 V HN 0.131 nan 8.190 nan 0.000 0.447 223 N N 0.094 118.860 118.700 0.110 0.000 2.188 223 N HA -0.064 4.676 4.740 -0.000 0.000 0.184 223 N C 1.747 177.326 175.510 0.115 0.000 1.018 223 N CA 1.208 54.325 53.050 0.111 0.000 0.858 223 N CB -0.388 38.166 38.487 0.112 0.000 0.989 223 N HN 0.404 nan 8.380 nan 0.000 0.426 224 L N 0.380 121.645 121.223 0.070 0.000 2.093 224 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 224 L C 2.339 179.203 176.870 -0.010 0.000 1.085 224 L CA 0.997 55.852 54.840 0.024 0.000 0.755 224 L CB -0.433 41.625 42.059 -0.001 0.000 0.904 224 L HN 0.098 nan 8.230 nan 0.000 0.435 225 A N -0.483 122.326 122.820 -0.018 0.000 1.902 225 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 225 A C 2.208 179.793 177.584 0.002 0.000 1.181 225 A CA 1.528 53.550 52.037 -0.026 0.000 0.623 225 A CB -0.871 18.077 19.000 -0.088 0.000 0.818 225 A HN 0.497 nan 8.150 nan 0.000 0.443 226 Y N 0.973 121.163 120.300 -0.183 0.000 2.128 226 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 226 Y C 2.159 177.945 175.900 -0.190 0.000 1.154 226 Y CA 2.271 60.198 58.100 -0.289 0.000 1.149 226 Y CB -0.410 37.871 38.460 -0.297 0.000 0.976 226 Y HN 0.472 nan 8.280 nan 0.000 0.505 227 E N 0.059 120.070 120.200 -0.316 0.000 2.077 227 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 227 E C 2.363 178.798 176.600 -0.275 0.000 0.989 227 E CA 0.985 57.176 56.400 -0.348 0.000 0.800 227 E CB -0.356 29.273 29.700 -0.117 0.000 0.746 227 E HN 0.612 nan 8.360 nan 0.000 0.452 228 A N 1.306 124.022 122.820 -0.173 0.000 1.972 228 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 228 A C 2.288 179.788 177.584 -0.140 0.000 1.169 228 A CA 1.486 53.454 52.037 -0.114 0.000 0.635 228 A CB -0.366 18.602 19.000 -0.052 0.000 0.810 228 A HN 0.272 nan 8.150 nan 0.000 0.446 229 A N -0.352 122.335 122.820 -0.222 0.000 2.206 229 A HA 0.263 4.583 4.320 -0.000 0.000 0.211 229 A C 1.394 178.803 177.584 -0.292 0.000 1.158 229 A CA 1.259 53.141 52.037 -0.259 0.000 0.761 229 A CB -0.889 17.842 19.000 -0.448 0.000 0.801 229 A HN 0.639 nan 8.150 nan 0.000 0.473 230 T N -3.649 110.695 114.554 -0.349 0.000 2.943 230 T HA 0.494 4.844 4.350 -0.000 0.000 0.284 230 T C 0.342 174.939 174.700 -0.171 0.000 1.015 230 T CA 0.043 61.962 62.100 -0.302 0.000 1.042 230 T CB 1.709 70.312 68.868 -0.441 0.000 1.055 230 T HN 0.373 nan 8.240 nan 0.000 0.500 231 V N -1.353 118.491 119.914 -0.117 0.000 3.380 231 V HA 0.415 4.535 4.120 -0.000 0.000 0.307 231 V C 0.070 176.137 176.094 -0.044 0.000 1.434 231 V CA -0.408 61.852 62.300 -0.067 0.000 1.075 231 V CB -0.493 31.304 31.823 -0.043 0.000 0.954 231 V HN 0.939 nan 8.190 nan 0.000 0.444 232 D N -0.072 120.298 120.400 -0.051 0.000 2.732 232 D HA 0.362 5.002 4.640 -0.000 0.000 0.229 232 D C 0.308 176.604 176.300 -0.007 0.000 1.152 232 D CA -0.558 53.432 54.000 -0.015 0.000 0.854 232 D CB 3.171 43.974 40.800 0.005 0.000 1.590 232 D HN 0.006 nan 8.370 nan 0.000 0.468 233 L N 3.724 124.958 121.223 0.017 0.000 2.141 233 L HA -0.027 4.313 4.340 -0.000 0.000 0.209 233 L C 1.596 178.511 176.870 0.074 0.000 1.094 233 L CA 1.583 56.445 54.840 0.036 0.000 0.763 233 L CB -0.592 41.490 42.059 0.038 0.000 0.908 233 L HN 0.439 nan 8.230 nan 0.000 0.437 234 N N 0.103 118.856 118.700 0.088 0.000 2.258 234 N HA -0.180 4.560 4.740 -0.000 0.000 0.187 234 N C 0.661 176.307 175.510 0.226 0.000 1.012 234 N CA 1.571 54.709 53.050 0.147 0.000 0.870 234 N CB -0.103 38.465 38.487 0.134 0.000 0.977 234 N HN 0.539 nan 8.380 nan 0.000 0.434 235 D N -0.159 120.319 120.400 0.130 0.000 2.369 235 D HA 0.113 4.753 4.640 -0.000 0.000 0.211 235 D C 0.327 176.685 176.300 0.097 0.000 1.077 235 D CA -0.042 54.008 54.000 0.083 0.000 0.842 235 D CB 0.282 41.030 40.800 -0.087 0.000 0.947 235 D HN 0.077 nan 8.370 nan 0.000 0.509 236 A N 1.175 124.062 122.820 0.111 0.000 2.477 236 A HA 0.131 4.451 4.320 -0.000 0.000 0.246 236 A C 0.468 178.183 177.584 0.219 0.000 1.078 236 A CA -0.313 51.788 52.037 0.106 0.000 0.770 236 A CB 0.175 19.215 19.000 0.067 0.000 1.011 236 A HN -0.051 nan 8.150 nan 0.000 0.494 237 N N 0.514 119.343 118.700 0.215 0.000 2.447 237 N HA 0.328 5.068 4.740 -0.000 0.000 0.263 237 N C -0.088 175.523 175.510 0.169 0.000 1.226 237 N CA 0.238 53.428 53.050 0.235 0.000 0.906 237 N CB 0.986 39.597 38.487 0.206 0.000 1.060 237 N HN 0.672 nan 8.380 nan 0.000 0.468 238 V N -0.161 119.855 119.914 0.171 0.000 2.914 238 V HA 0.569 4.689 4.120 -0.000 0.000 0.314 238 V C 0.323 176.484 176.094 0.112 0.000 1.084 238 V CA -1.174 61.203 62.300 0.127 0.000 0.963 238 V CB 1.470 33.369 31.823 0.128 0.000 1.025 238 V HN 0.456 nan 8.190 nan 0.000 0.432 239 I N 2.589 123.218 120.570 0.099 0.000 2.668 239 I HA 0.080 4.250 4.170 -0.000 0.000 0.285 239 I C 0.522 176.690 176.117 0.085 0.000 1.168 239 I CA 0.391 61.747 61.300 0.093 0.000 1.424 239 I CB 0.329 38.383 38.000 0.090 0.000 1.377 239 I HN 0.776 nan 8.210 nan 0.000 0.560 240 D N 6.738 127.173 120.400 0.058 0.000 2.357 240 D HA -0.074 4.566 4.640 -0.000 0.000 0.265 240 D C 1.221 177.530 176.300 0.015 0.000 1.334 240 D CA 0.092 54.093 54.000 0.001 0.000 0.984 240 D CB 0.418 41.218 40.800 -0.000 0.000 1.077 240 D HN 0.545 nan 8.370 nan 0.000 0.514 241 H N 2.152 121.191 119.070 -0.051 0.000 2.495 241 H HA -0.020 4.536 4.556 -0.000 0.000 0.287 241 H C 1.324 176.557 175.328 -0.159 0.000 1.033 241 H CA 0.864 56.828 56.048 -0.140 0.000 1.307 241 H CB -0.435 29.180 29.762 -0.246 0.000 1.401 241 H HN 0.287 nan 8.280 nan 0.000 0.555 242 F N 0.397 120.212 119.950 -0.225 0.000 2.146 242 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 242 F C 2.640 178.426 175.800 -0.023 0.000 1.096 242 F CA 1.641 59.583 58.000 -0.096 0.000 1.275 242 F CB -0.661 38.196 39.000 -0.238 0.000 1.008 242 F HN 0.324 nan 8.300 nan 0.000 0.480 243 H N -0.513 118.620 119.070 0.105 0.000 2.389 243 H HA -0.108 4.448 4.556 -0.000 0.000 0.299 243 H C 2.066 177.502 175.328 0.179 0.000 1.081 243 H CA 1.313 57.465 56.048 0.172 0.000 1.345 243 H CB -0.202 29.644 29.762 0.140 0.000 1.393 243 H HN 0.116 nan 8.280 nan 0.000 0.520 244 L N 0.233 121.588 121.223 0.220 0.000 2.056 244 L HA -0.011 4.329 4.340 -0.000 0.000 0.207 244 L C 2.388 179.297 176.870 0.065 0.000 1.078 244 L CA 1.862 56.791 54.840 0.148 0.000 0.749 244 L CB -1.131 41.008 42.059 0.134 0.000 0.901 244 L HN 0.356 nan 8.230 nan 0.000 0.433 245 A N -0.907 121.940 122.820 0.045 0.000 1.933 245 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 245 A C 2.364 179.909 177.584 -0.064 0.000 1.175 245 A CA 1.689 53.731 52.037 0.009 0.000 0.628 245 A CB -0.894 18.128 19.000 0.037 0.000 0.814 245 A HN 0.530 nan 8.150 nan 0.000 0.444 246 A N -2.233 120.487 122.820 -0.167 0.000 1.935 246 A HA 0.235 4.555 4.320 -0.000 0.000 0.214 246 A C 1.780 179.023 177.584 -0.570 0.000 1.178 246 A CA 1.314 53.082 52.037 -0.449 0.000 0.640 246 A CB -0.283 18.275 19.000 -0.736 0.000 0.825 246 A HN 0.557 nan 8.150 nan 0.000 0.447 247 Y N -2.255 117.969 120.300 -0.127 0.000 2.452 247 Y HA 0.401 4.951 4.550 -0.000 0.000 0.262 247 Y C 1.761 177.637 175.900 -0.041 0.000 1.089 247 Y CA -0.118 57.909 58.100 -0.122 0.000 1.262 247 Y CB 0.381 38.681 38.460 -0.268 0.000 1.236 247 Y HN 0.409 nan 8.280 nan 0.000 0.512 248 G N 1.114 109.980 108.800 0.109 0.000 2.159 248 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.256 248 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.256 248 G C -0.099 174.883 174.900 0.136 0.000 0.977 248 G CA 0.263 45.424 45.100 0.102 0.000 0.652 248 G HN 0.464 nan 8.290 nan 0.000 0.531 249 E N 0.286 120.605 120.200 0.198 0.000 2.183 249 E HA 0.624 4.974 4.350 -0.000 0.000 0.271 249 E C -0.256 176.520 176.600 0.294 0.000 0.919 249 E CA -1.001 55.539 56.400 0.233 0.000 0.781 249 E CB 1.212 31.067 29.700 0.258 0.000 1.140 249 E HN 0.378 nan 8.360 nan 0.000 0.402 250 Q N 2.012 121.934 119.800 0.203 0.000 2.295 250 Q HA 0.254 4.594 4.340 -0.000 0.000 0.259 250 Q C -0.435 175.664 176.000 0.166 0.000 0.976 250 Q CA -0.146 55.758 55.803 0.169 0.000 0.923 250 Q CB 1.253 30.057 28.738 0.110 0.000 1.185 250 Q HN 0.727 nan 8.270 nan 0.000 0.410 251 T N -1.957 112.690 114.554 0.155 0.000 2.896 251 T HA 0.608 4.958 4.350 -0.000 0.000 0.297 251 T C -0.457 174.302 174.700 0.098 0.000 1.108 251 T CA -0.806 61.371 62.100 0.128 0.000 1.004 251 T CB 1.269 70.178 68.868 0.069 0.000 1.159 251 T HN 0.232 nan 8.240 nan 0.000 0.499 252 V N 2.242 122.223 119.914 0.113 0.000 2.427 252 V HA 0.595 4.715 4.120 -0.000 0.000 0.286 252 V C 0.153 176.316 176.094 0.115 0.000 1.034 252 V CA -0.429 61.936 62.300 0.107 0.000 0.893 252 V CB 0.960 32.841 31.823 0.096 0.000 0.982 252 V HN 1.064 nan 8.190 nan 0.000 0.452 253 N N 2.116 120.880 118.700 0.106 0.000 3.513 253 N HA 0.725 5.465 4.740 -0.000 0.000 0.351 253 N C -1.570 174.077 175.510 0.228 0.000 1.624 253 N CA -0.564 52.550 53.050 0.106 0.000 0.712 253 N CB 1.911 40.363 38.487 -0.059 0.000 2.106 253 N HN 0.637 nan 8.380 nan 0.000 0.649 254 Y N -1.843 118.505 120.300 0.079 0.000 2.625 254 Y HA 0.546 5.096 4.550 -0.000 0.000 0.338 254 Y C 0.460 176.429 175.900 0.116 0.000 1.123 254 Y CA -1.038 57.133 58.100 0.117 0.000 1.046 254 Y CB 0.294 38.854 38.460 0.166 0.000 1.299 254 Y HN 0.326 nan 8.280 nan 0.000 0.464 255 N N 0.871 119.727 118.700 0.261 0.000 2.037 255 N HA -0.250 4.490 4.740 -0.000 0.000 0.196 255 N C 1.779 177.359 175.510 0.116 0.000 1.034 255 N CA 2.187 55.338 53.050 0.168 0.000 0.861 255 N CB -0.292 38.300 38.487 0.175 0.000 1.039 255 N HN 0.859 nan 8.380 nan 0.000 0.427 256 R N 0.838 121.453 120.500 0.192 0.000 2.083 256 R HA -0.132 4.208 4.340 -0.000 0.000 0.237 256 R C 1.184 177.489 176.300 0.008 0.000 1.137 256 R CA 1.901 58.090 56.100 0.149 0.000 0.951 256 R CB -0.110 30.368 30.300 0.297 0.000 0.851 256 R HN 0.103 nan 8.270 nan 0.000 0.434 257 D N -0.412 119.825 120.400 -0.273 0.000 2.149 257 D HA -0.084 4.556 4.640 -0.000 0.000 0.201 257 D C 1.894 178.144 176.300 -0.083 0.000 0.972 257 D CA 0.898 54.751 54.000 -0.245 0.000 0.835 257 D CB 0.035 40.523 40.800 -0.519 0.000 0.966 257 D HN 0.082 nan 8.370 nan 0.000 0.476 258 V N 0.600 120.466 119.914 -0.081 0.000 2.358 258 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 258 V C 2.334 178.588 176.094 0.267 0.000 1.047 258 V CA 1.508 63.876 62.300 0.112 0.000 1.035 258 V CB -0.286 31.587 31.823 0.083 0.000 0.658 258 V HN 0.086 nan 8.190 nan 0.000 0.452 259 E N 0.607 120.914 120.200 0.178 0.000 2.107 259 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 259 E C 2.022 178.710 176.600 0.147 0.000 0.982 259 E CA 1.347 57.856 56.400 0.183 0.000 0.809 259 E CB -0.330 29.449 29.700 0.132 0.000 0.756 259 E HN 0.527 nan 8.360 nan 0.000 0.459 260 A N -0.682 122.204 122.820 0.110 0.000 2.169 260 A HA 0.041 4.361 4.320 -0.000 0.000 0.212 260 A C 1.821 179.429 177.584 0.041 0.000 1.153 260 A CA 0.254 52.330 52.037 0.064 0.000 0.756 260 A CB -0.695 18.342 19.000 0.063 0.000 0.813 260 A HN 0.405 nan 8.150 nan 0.000 0.471 261 F N 1.924 121.822 119.950 -0.087 0.000 2.102 261 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 261 F C -0.795 174.853 175.800 -0.254 0.000 1.105 261 F CA 1.819 59.691 58.000 -0.214 0.000 1.239 261 F CB -1.003 37.758 39.000 -0.399 0.000 0.991 261 F HN 0.163 nan 8.300 nan 0.000 0.474 262 P HA -0.183 nan 4.420 nan 0.000 0.215 262 P C 1.989 179.091 177.300 -0.330 0.000 1.153 262 P CA 1.786 64.669 63.100 -0.361 0.000 0.853 262 P CB -0.136 31.548 31.700 -0.026 0.000 0.788 263 L N -1.820 119.264 121.223 -0.232 0.000 2.179 263 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 263 L C 2.459 179.178 176.870 -0.253 0.000 1.096 263 L CA 0.725 55.434 54.840 -0.218 0.000 0.779 263 L CB -0.735 41.210 42.059 -0.191 0.000 0.922 263 L HN -0.017 nan 8.230 nan 0.000 0.443 264 L N 0.212 121.269 121.223 -0.276 0.000 2.017 264 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 264 L C 2.817 179.516 176.870 -0.284 0.000 1.073 264 L CA 1.490 56.193 54.840 -0.229 0.000 0.745 264 L CB -0.224 41.751 42.059 -0.140 0.000 0.894 264 L HN 0.206 nan 8.230 nan 0.000 0.432 265 K N -0.929 119.134 120.400 -0.561 0.000 2.026 265 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 265 K C 1.854 178.295 176.600 -0.265 0.000 1.048 265 K CA 2.081 58.064 56.287 -0.507 0.000 0.929 265 K CB -0.155 31.823 32.500 -0.870 0.000 0.713 265 K HN 0.350 nan 8.250 nan 0.000 0.439 266 T N 2.181 116.583 114.554 -0.253 0.000 2.720 266 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 266 T C 1.692 176.318 174.700 -0.122 0.000 1.037 266 T CA 1.129 63.132 62.100 -0.161 0.000 1.144 266 T CB -0.200 68.578 68.868 -0.150 0.000 0.864 266 T HN 0.116 nan 8.240 nan 0.000 0.444 267 L N 0.907 122.053 121.223 -0.128 0.000 2.046 267 L HA 0.082 4.422 4.340 -0.000 0.000 0.208 267 L C 2.150 179.000 176.870 -0.033 0.000 1.077 267 L CA 1.457 56.255 54.840 -0.070 0.000 0.747 267 L CB -0.857 41.165 42.059 -0.061 0.000 0.896 267 L HN 0.275 nan 8.230 nan 0.000 0.432 268 L N -1.095 120.102 121.223 -0.043 0.000 2.141 268 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 268 L C 2.451 179.291 176.870 -0.050 0.000 1.094 268 L CA 1.097 55.925 54.840 -0.019 0.000 0.763 268 L CB -0.448 41.624 42.059 0.023 0.000 0.908 268 L HN 0.357 nan 8.230 nan 0.000 0.437 269 E N -0.260 119.901 120.200 -0.063 0.000 2.031 269 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 269 E C 2.355 178.920 176.600 -0.059 0.000 0.994 269 E CA 0.797 57.160 56.400 -0.061 0.000 0.800 269 E CB 0.033 29.695 29.700 -0.062 0.000 0.752 269 E HN 0.304 nan 8.360 nan 0.000 0.447 270 R N 0.411 120.880 120.500 -0.053 0.000 2.127 270 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 270 R C 2.361 178.631 176.300 -0.050 0.000 1.134 270 R CA 0.835 56.910 56.100 -0.040 0.000 0.975 270 R CB -0.420 29.863 30.300 -0.028 0.000 0.865 270 R HN 0.277 nan 8.270 nan 0.000 0.447 271 L N -0.525 120.657 121.223 -0.068 0.000 2.209 271 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 271 L C 2.136 178.760 176.870 -0.410 0.000 1.094 271 L CA 0.922 55.668 54.840 -0.158 0.000 0.790 271 L CB -0.031 41.982 42.059 -0.078 0.000 0.932 271 L HN 0.117 nan 8.230 nan 0.000 0.447 272 M N -2.226 117.234 119.600 -0.234 0.000 2.292 272 M HA 0.259 4.739 4.480 -0.000 0.000 0.286 272 M C 1.327 177.599 176.300 -0.047 0.000 1.002 272 M CA 0.735 55.934 55.300 -0.169 0.000 1.029 272 M CB 1.512 34.082 32.600 -0.050 0.000 1.537 272 M HN 0.331 nan 8.290 nan 0.000 0.543 273 G N 2.168 110.932 108.800 -0.059 0.000 2.850 273 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.207 273 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.207 273 G C 0.034 174.916 174.900 -0.029 0.000 1.302 273 G CA 0.181 45.264 45.100 -0.027 0.000 0.832 273 G HN 0.552 nan 8.290 nan 0.000 0.543 274 E N -0.218 119.964 120.200 -0.031 0.000 2.408 274 E HA 0.684 5.034 4.350 -0.000 0.000 0.275 274 E C -0.741 175.828 176.600 -0.052 0.000 0.935 274 E CA -0.288 56.091 56.400 -0.035 0.000 0.775 274 E CB 1.697 31.384 29.700 -0.023 0.000 1.277 274 E HN 0.397 nan 8.360 nan 0.000 0.455 275 S N 1.188 116.858 115.700 -0.050 0.000 2.528 275 S HA 0.208 4.678 4.470 -0.000 0.000 0.277 275 S C -1.425 173.120 174.600 -0.092 0.000 1.297 275 S CA -1.298 56.861 58.200 -0.068 0.000 1.052 275 S CB 0.589 63.775 63.200 -0.023 0.000 0.917 275 S HN 0.546 nan 8.310 nan 0.000 0.492 276 P HA 0.127 nan 4.420 nan 0.000 0.245 276 P C -0.942 176.270 177.300 -0.146 0.000 1.206 276 P CA 0.410 63.336 63.100 -0.290 0.000 0.781 276 P CB 0.078 31.446 31.700 -0.554 0.000 0.994 277 Y N 0.003 120.380 120.300 0.128 0.000 2.331 277 Y HA 0.362 4.912 4.550 -0.000 0.000 0.334 277 Y C 1.372 177.422 175.900 0.251 0.000 0.960 277 Y CA -1.114 57.097 58.100 0.185 0.000 1.130 277 Y CB 1.497 40.092 38.460 0.225 0.000 1.164 277 Y HN -0.239 nan 8.280 nan 0.000 0.458 278 Q N 1.400 121.436 119.800 0.393 0.000 2.319 278 Q HA 0.171 4.511 4.340 -0.000 0.000 0.202 278 Q C -0.174 175.958 176.000 0.220 0.000 0.896 278 Q CA 0.096 56.072 55.803 0.289 0.000 0.942 278 Q CB 0.607 29.389 28.738 0.074 0.000 1.083 278 Q HN 0.691 nan 8.270 nan 0.000 0.510 279 S N -1.965 113.758 115.700 0.039 0.000 2.547 279 S HA 0.408 4.878 4.470 -0.000 0.000 0.270 279 S C -2.658 171.484 174.600 -0.763 0.000 1.150 279 S CA -1.131 56.755 58.200 -0.523 0.000 0.850 279 S CB 2.103 65.362 63.200 0.098 0.000 1.118 279 S HN -0.288 nan 8.310 nan 0.000 0.461 280 P HA 0.013 nan 4.420 nan 0.000 0.222 280 P C 1.314 178.389 177.300 -0.374 0.000 1.147 280 P CA 1.284 64.064 63.100 -0.533 0.000 0.790 280 P CB -0.273 31.168 31.700 -0.431 0.000 0.780 281 T N -0.531 113.806 114.554 -0.362 0.000 2.746 281 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 281 T C 1.325 175.728 174.700 -0.495 0.000 1.039 281 T CA 1.602 63.423 62.100 -0.465 0.000 1.142 281 T CB -0.976 67.489 68.868 -0.672 0.000 0.866 281 T HN 0.136 nan 8.240 nan 0.000 0.444 282 D N 0.834 121.067 120.400 -0.278 0.000 2.123 282 D HA -0.065 4.575 4.640 -0.000 0.000 0.196 282 D C 1.927 177.890 176.300 -0.561 0.000 0.992 282 D CA 0.856 54.732 54.000 -0.208 0.000 0.833 282 D CB -0.380 40.502 40.800 0.138 0.000 0.954 282 D HN 0.307 nan 8.370 nan 0.000 0.455 283 M N 0.382 119.488 119.600 -0.822 0.000 2.213 283 M HA -0.024 4.456 4.480 -0.000 0.000 0.263 283 M C 1.052 176.975 176.300 -0.628 0.000 1.062 283 M CA 1.080 55.676 55.300 -1.173 0.000 1.105 283 M CB -0.011 32.262 32.600 -0.544 0.000 1.385 283 M HN -0.090 nan 8.290 nan 0.000 0.417 284 G N -1.273 107.272 108.800 -0.424 0.000 2.588 284 G HA2 0.363 4.323 3.960 -0.000 0.000 0.281 284 G HA3 0.363 4.323 3.960 -0.000 0.000 0.281 284 G C -0.130 174.671 174.900 -0.165 0.000 1.236 284 G CA -0.589 44.358 45.100 -0.254 0.000 0.969 284 G HN 0.150 nan 8.290 nan 0.000 0.504 285 V N -0.306 119.614 119.914 0.011 0.000 3.432 285 V HA 0.186 4.306 4.120 -0.000 0.000 0.290 285 V C 0.445 176.719 176.094 0.301 0.000 1.591 285 V CA -0.333 62.094 62.300 0.210 0.000 1.069 285 V CB -0.224 31.721 31.823 0.204 0.000 0.892 285 V HN 0.649 nan 8.190 nan 0.000 0.436 286 N N 1.275 120.122 118.700 0.245 0.000 2.411 286 N HA 0.060 4.800 4.740 -0.000 0.000 0.261 286 N C 0.574 176.291 175.510 0.347 0.000 1.248 286 N CA 0.727 53.954 53.050 0.296 0.000 0.885 286 N CB 0.862 39.443 38.487 0.157 0.000 1.062 286 N HN 0.156 nan 8.380 nan 0.000 0.471 287 M N 2.273 122.062 119.600 0.315 0.000 2.300 287 M HA 0.192 4.672 4.480 -0.000 0.000 0.313 287 M C 1.416 177.871 176.300 0.258 0.000 0.988 287 M CA -0.111 55.320 55.300 0.218 0.000 1.012 287 M CB -0.671 31.998 32.600 0.115 0.000 1.586 287 M HN 0.617 nan 8.290 nan 0.000 0.562 288 A N 0.743 123.748 122.820 0.309 0.000 1.948 288 A HA -0.038 4.282 4.320 -0.000 0.000 0.220 288 A C 2.084 179.766 177.584 0.163 0.000 1.177 288 A CA 2.097 54.302 52.037 0.279 0.000 0.636 288 A CB -1.152 17.835 19.000 -0.021 0.000 0.815 288 A HN 0.533 nan 8.150 nan 0.000 0.449 289 G N -1.186 107.596 108.800 -0.031 0.000 2.956 289 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.207 289 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.207 289 G C 0.855 175.672 174.900 -0.137 0.000 1.162 289 G CA 0.457 45.472 45.100 -0.142 0.000 0.796 289 G HN 0.526 nan 8.290 nan 0.000 0.527 290 N N -0.533 118.130 118.700 -0.062 0.000 2.236 290 N HA 0.034 4.774 4.740 -0.000 0.000 0.196 290 N C 0.680 176.162 175.510 -0.046 0.000 1.114 290 N CA -0.017 52.998 53.050 -0.059 0.000 0.859 290 N CB 0.612 39.075 38.487 -0.039 0.000 0.982 290 N HN 0.175 nan 8.380 nan 0.000 0.493 291 C N 0.948 120.225 119.300 -0.039 0.000 2.881 291 C HA 0.444 4.904 4.460 -0.000 0.000 0.290 291 C C 0.878 175.706 174.990 -0.270 0.000 1.362 291 C CA -0.821 58.070 59.018 -0.211 0.000 1.757 291 C CB -0.853 26.664 27.740 -0.373 0.000 2.265 291 C HN 0.187 nan 8.230 nan 0.000 0.600 292 I N 2.477 123.020 120.570 -0.045 0.000 2.379 292 I HA 0.067 4.237 4.170 -0.000 0.000 0.290 292 I C 1.345 177.457 176.117 -0.009 0.000 1.063 292 I CA 0.420 61.744 61.300 0.040 0.000 1.351 292 I CB 0.969 39.011 38.000 0.070 0.000 1.410 292 I HN 0.341 nan 8.210 nan 0.000 0.505 293 S N 2.577 118.273 115.700 -0.007 0.000 2.492 293 S HA 0.065 4.535 4.470 -0.000 0.000 0.218 293 S C 0.294 174.905 174.600 0.018 0.000 1.016 293 S CA -0.160 58.032 58.200 -0.013 0.000 0.916 293 S CB 0.125 63.307 63.200 -0.030 0.000 0.791 293 S HN 0.684 nan 8.310 nan 0.000 0.513 294 D N 0.473 120.901 120.400 0.047 0.000 2.479 294 D HA 0.361 5.001 4.640 -0.000 0.000 0.246 294 D C -0.160 176.184 176.300 0.073 0.000 1.336 294 D CA -0.325 53.705 54.000 0.050 0.000 0.967 294 D CB 1.668 42.496 40.800 0.046 0.000 1.275 294 D HN -0.129 nan 8.370 nan 0.000 0.577 295 D N 2.568 123.010 120.400 0.071 0.000 2.144 295 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 295 D C 1.809 178.161 176.300 0.087 0.000 0.984 295 D CA 1.545 55.608 54.000 0.105 0.000 0.834 295 D CB 0.294 41.156 40.800 0.103 0.000 0.955 295 D HN 0.438 nan 8.370 nan 0.000 0.465 296 A N 0.530 123.382 122.820 0.053 0.000 1.877 296 A HA 0.034 4.354 4.320 -0.000 0.000 0.216 296 A C 2.387 180.008 177.584 0.061 0.000 1.186 296 A CA 2.257 54.316 52.037 0.037 0.000 0.620 296 A CB -1.073 17.935 19.000 0.013 0.000 0.822 296 A HN 0.283 nan 8.150 nan 0.000 0.443 297 A N -0.888 121.971 122.820 0.064 0.000 1.908 297 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 297 A C 2.316 179.966 177.584 0.111 0.000 1.181 297 A CA 1.827 53.914 52.037 0.084 0.000 0.627 297 A CB -1.311 17.732 19.000 0.072 0.000 0.818 297 A HN 0.619 nan 8.150 nan 0.000 0.445 298 C N -1.281 118.083 119.300 0.108 0.000 2.446 298 C HA -0.036 4.424 4.460 -0.000 0.000 0.277 298 C C 2.837 177.879 174.990 0.085 0.000 1.275 298 C CA 0.943 60.025 59.018 0.107 0.000 1.727 298 C CB -1.317 26.514 27.740 0.152 0.000 2.010 298 C HN 0.608 nan 8.230 nan 0.000 0.486 299 R N -0.172 120.372 120.500 0.074 0.000 2.083 299 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 299 R C 2.162 178.467 176.300 0.008 0.000 1.137 299 R CA 2.059 58.152 56.100 -0.010 0.000 0.951 299 R CB -0.628 29.630 30.300 -0.069 0.000 0.851 299 R HN 0.685 nan 8.270 nan 0.000 0.434 300 H N 0.468 119.519 119.070 -0.033 0.000 2.321 300 H HA -0.053 4.503 4.556 -0.000 0.000 0.300 300 H C 1.877 177.185 175.328 -0.033 0.000 1.087 300 H CA 1.973 58.002 56.048 -0.032 0.000 1.319 300 H CB -0.181 29.568 29.762 -0.021 0.000 1.379 300 H HN 0.261 nan 8.280 nan 0.000 0.501 301 A N -0.051 122.758 122.820 -0.020 0.000 1.883 301 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 301 A C 2.619 180.115 177.584 -0.147 0.000 1.186 301 A CA 2.511 54.497 52.037 -0.084 0.000 0.624 301 A CB -1.077 17.917 19.000 -0.011 0.000 0.822 301 A HN 0.677 nan 8.150 nan 0.000 0.444 302 S N -0.634 114.997 115.700 -0.116 0.000 2.436 302 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 302 S C 1.632 176.155 174.600 -0.128 0.000 1.014 302 S CA 1.067 59.186 58.200 -0.135 0.000 0.950 302 S CB -0.257 62.883 63.200 -0.101 0.000 0.784 302 S HN 0.659 nan 8.310 nan 0.000 0.504 303 E N 1.053 121.170 120.200 -0.139 0.000 2.051 303 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 303 E C 2.379 178.888 176.600 -0.150 0.000 0.991 303 E CA 1.171 57.489 56.400 -0.138 0.000 0.799 303 E CB -0.088 29.528 29.700 -0.139 0.000 0.748 303 E HN 0.409 nan 8.360 nan 0.000 0.449 304 Q N 0.416 120.082 119.800 -0.224 0.000 2.096 304 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 304 Q C 2.046 177.986 176.000 -0.100 0.000 0.982 304 Q CA 1.284 56.977 55.803 -0.183 0.000 0.850 304 Q CB -0.233 28.349 28.738 -0.261 0.000 0.901 304 Q HN 0.193 nan 8.270 nan 0.000 0.422 305 E N 0.783 120.913 120.200 -0.116 0.000 2.077 305 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 305 E C 1.925 178.504 176.600 -0.034 0.000 0.989 305 E CA 0.915 57.262 56.400 -0.088 0.000 0.800 305 E CB -0.316 29.283 29.700 -0.168 0.000 0.746 305 E HN 0.377 nan 8.360 nan 0.000 0.452 306 I N 0.287 120.829 120.570 -0.047 0.000 2.208 306 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 306 I C 2.270 178.397 176.117 0.017 0.000 1.097 306 I CA 1.188 62.473 61.300 -0.026 0.000 1.363 306 I CB -0.357 37.609 38.000 -0.057 0.000 1.051 306 I HN 0.168 nan 8.210 nan 0.000 0.413 307 I N 0.199 120.784 120.570 0.025 0.000 2.202 307 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 307 I C 2.744 179.003 176.117 0.237 0.000 1.091 307 I CA 1.277 62.647 61.300 0.116 0.000 1.368 307 I CB -0.503 37.562 38.000 0.107 0.000 1.058 307 I HN 0.140 nan 8.210 nan 0.000 0.410 308 R N 0.522 121.117 120.500 0.158 0.000 2.096 308 R HA -0.152 4.188 4.340 -0.000 0.000 0.240 308 R C 2.496 178.883 176.300 0.146 0.000 1.139 308 R CA 1.251 57.447 56.100 0.160 0.000 0.952 308 R CB -0.328 30.011 30.300 0.065 0.000 0.854 308 R HN 0.305 nan 8.270 nan 0.000 0.436 309 R N -0.087 120.470 120.500 0.096 0.000 2.096 309 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 309 R C 2.101 178.439 176.300 0.064 0.000 1.127 309 R CA 1.279 57.417 56.100 0.063 0.000 0.968 309 R CB -0.876 29.444 30.300 0.034 0.000 0.861 309 R HN 0.368 nan 8.270 nan 0.000 0.440 310 Y N 0.621 120.888 120.300 -0.055 0.000 2.165 310 Y HA -0.211 4.339 4.550 -0.000 0.000 0.286 310 Y C 1.900 177.697 175.900 -0.171 0.000 1.155 310 Y CA 1.333 59.342 58.100 -0.152 0.000 1.164 310 Y CB -0.486 37.825 38.460 -0.250 0.000 0.978 310 Y HN -0.118 nan 8.280 nan 0.000 0.513 311 F N 0.222 120.068 119.950 -0.174 0.000 2.259 311 F HA -0.017 4.510 4.527 -0.000 0.000 0.298 311 F C 2.236 177.934 175.800 -0.171 0.000 1.088 311 F CA 1.342 59.206 58.000 -0.226 0.000 1.358 311 F CB -0.368 38.608 39.000 -0.041 0.000 1.040 311 F HN -0.082 nan 8.300 nan 0.000 0.505 312 K N 0.059 120.497 120.400 0.063 0.000 2.057 312 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 312 K C 2.303 178.881 176.600 -0.037 0.000 1.050 312 K CA 1.183 57.478 56.287 0.015 0.000 0.935 312 K CB -0.448 32.066 32.500 0.023 0.000 0.715 312 K HN 0.177 nan 8.250 nan 0.000 0.439 313 A N 0.932 123.707 122.820 -0.075 0.000 1.877 313 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 313 A C 2.100 179.609 177.584 -0.125 0.000 1.186 313 A CA 1.270 53.253 52.037 -0.090 0.000 0.620 313 A CB -0.728 18.221 19.000 -0.084 0.000 0.822 313 A HN 0.192 nan 8.150 nan 0.000 0.443 314 L N -0.555 120.533 121.223 -0.226 0.000 2.043 314 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 314 L C 2.566 179.362 176.870 -0.123 0.000 1.075 314 L CA 1.355 56.064 54.840 -0.220 0.000 0.752 314 L CB -0.493 41.351 42.059 -0.359 0.000 0.891 314 L HN 0.275 nan 8.230 nan 0.000 0.432 315 V N -0.662 119.197 119.914 -0.091 0.000 2.358 315 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 315 V C 2.529 178.586 176.094 -0.061 0.000 1.047 315 V CA 1.649 63.896 62.300 -0.088 0.000 1.035 315 V CB -0.421 31.361 31.823 -0.069 0.000 0.658 315 V HN 0.460 nan 8.190 nan 0.000 0.452 316 E N 0.241 120.417 120.200 -0.041 0.000 2.110 316 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 316 E C 2.150 178.747 176.600 -0.006 0.000 0.988 316 E CA 1.527 57.919 56.400 -0.015 0.000 0.804 316 E CB 0.020 29.712 29.700 -0.014 0.000 0.745 316 E HN 0.723 nan 8.360 nan 0.000 0.458 317 E N -0.047 120.139 120.200 -0.022 0.000 2.150 317 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 317 E C 1.933 178.540 176.600 0.011 0.000 0.985 317 E CA 0.881 57.275 56.400 -0.010 0.000 0.814 317 E CB -0.059 29.626 29.700 -0.026 0.000 0.752 317 E HN 0.245 nan 8.360 nan 0.000 0.466 318 A N 1.331 124.148 122.820 -0.004 0.000 1.968 318 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 318 A C 2.001 179.679 177.584 0.157 0.000 1.169 318 A CA 0.881 52.935 52.037 0.028 0.000 0.638 318 A CB -0.173 18.763 19.000 -0.107 0.000 0.812 318 A HN 0.048 nan 8.150 nan 0.000 0.446 319 R N -0.538 120.041 120.500 0.132 0.000 2.115 319 R HA -0.064 4.276 4.340 -0.000 0.000 0.226 319 R C 2.081 178.462 176.300 0.134 0.000 1.100 319 R CA 1.767 57.996 56.100 0.215 0.000 0.980 319 R CB -0.454 29.931 30.300 0.141 0.000 0.875 319 R HN 0.715 nan 8.270 nan 0.000 0.445 320 T N -3.906 110.697 114.554 0.081 0.000 3.037 320 T HA 0.207 4.557 4.350 -0.000 0.000 0.252 320 T C 1.445 176.172 174.700 0.044 0.000 1.073 320 T CA 0.559 62.690 62.100 0.051 0.000 1.091 320 T CB 0.816 69.704 68.868 0.033 0.000 0.935 320 T HN 0.363 nan 8.240 nan 0.000 0.488 321 G N 1.556 110.388 108.800 0.053 0.000 2.159 321 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.256 321 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.256 321 G C 0.050 174.966 174.900 0.027 0.000 0.977 321 G CA 0.204 45.330 45.100 0.043 0.000 0.652 321 G HN 0.665 nan 8.290 nan 0.000 0.531 322 K N 1.156 121.569 120.400 0.021 0.000 2.230 322 K HA 0.382 4.702 4.320 -0.000 0.000 0.253 322 K C 0.996 177.600 176.600 0.008 0.000 1.008 322 K CA 0.197 56.491 56.287 0.012 0.000 0.910 322 K CB 0.488 32.992 32.500 0.008 0.000 0.994 322 K HN 0.477 nan 8.250 nan 0.000 0.495 323 D N -0.494 119.909 120.400 0.005 0.000 2.414 323 D HA -0.063 4.577 4.640 -0.000 0.000 0.251 323 D C 0.362 176.660 176.300 -0.003 0.000 1.252 323 D CA -0.313 53.689 54.000 0.003 0.000 0.999 323 D CB 0.750 41.552 40.800 0.004 0.000 1.093 323 D HN 0.416 nan 8.370 nan 0.000 0.515 324 S N -1.881 113.817 115.700 -0.003 0.000 2.660 324 S HA 0.007 4.477 4.470 -0.000 0.000 0.227 324 S C 1.277 175.875 174.600 -0.003 0.000 0.948 324 S CA -0.105 58.091 58.200 -0.007 0.000 0.948 324 S CB -0.699 62.499 63.200 -0.003 0.000 0.779 324 S HN 0.483 nan 8.310 nan 0.000 0.487 325 T N 2.897 117.449 114.554 -0.003 0.000 2.653 325 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 325 T C 1.857 176.555 174.700 -0.005 0.000 1.035 325 T CA 1.952 64.050 62.100 -0.003 0.000 1.154 325 T CB -0.305 68.561 68.868 -0.003 0.000 0.862 325 T HN 0.447 nan 8.240 nan 0.000 0.441 326 Q N 0.842 120.636 119.800 -0.010 0.000 2.137 326 Q HA 0.017 4.357 4.340 -0.000 0.000 0.198 326 Q C 2.800 178.798 176.000 -0.004 0.000 0.960 326 Q CA 1.542 57.336 55.803 -0.015 0.000 0.847 326 Q CB -0.773 27.951 28.738 -0.024 0.000 0.915 326 Q HN 0.728 nan 8.270 nan 0.000 0.448 327 S N 0.917 116.614 115.700 -0.006 0.000 2.387 327 S HA -0.118 4.352 4.470 -0.000 0.000 0.226 327 S C 1.392 176.064 174.600 0.121 0.000 1.026 327 S CA 1.075 59.289 58.200 0.024 0.000 0.972 327 S CB -0.161 62.988 63.200 -0.085 0.000 0.814 327 S HN 0.122 nan 8.310 nan 0.000 0.477 328 D N 1.860 122.295 120.400 0.058 0.000 2.104 328 D HA -0.046 4.594 4.640 -0.000 0.000 0.194 328 D C 2.232 178.539 176.300 0.013 0.000 0.994 328 D CA 1.099 55.120 54.000 0.037 0.000 0.830 328 D CB -0.371 40.437 40.800 0.014 0.000 0.959 328 D HN 0.423 nan 8.370 nan 0.000 0.452 329 R N 0.377 120.880 120.500 0.006 0.000 2.091 329 R HA -0.079 4.261 4.340 -0.000 0.000 0.238 329 R C 2.211 178.500 176.300 -0.018 0.000 1.136 329 R CA 1.331 57.424 56.100 -0.013 0.000 0.959 329 R CB -0.228 30.060 30.300 -0.021 0.000 0.856 329 R HN 0.126 nan 8.270 nan 0.000 0.437 330 A N 0.730 123.560 122.820 0.015 0.000 1.969 330 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 330 A C 2.290 179.833 177.584 -0.068 0.000 1.169 330 A CA 1.421 53.468 52.037 0.018 0.000 0.635 330 A CB -0.442 18.632 19.000 0.123 0.000 0.810 330 A HN 0.401 nan 8.150 nan 0.000 0.445 331 A N -0.381 122.380 122.820 -0.097 0.000 1.933 331 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 331 A C 2.190 179.673 177.584 -0.169 0.000 1.175 331 A CA 1.703 53.583 52.037 -0.261 0.000 0.628 331 A CB -0.871 18.001 19.000 -0.213 0.000 0.814 331 A HN 0.362 nan 8.150 nan 0.000 0.444 332 V N -0.210 119.646 119.914 -0.097 0.000 2.287 332 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 332 V C 2.574 178.622 176.094 -0.076 0.000 1.053 332 V CA 2.134 64.391 62.300 -0.072 0.000 1.027 332 V CB -0.871 30.925 31.823 -0.045 0.000 0.646 332 V HN 0.392 nan 8.190 nan 0.000 0.447 333 V N -0.592 119.276 119.914 -0.077 0.000 2.407 333 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 333 V C 2.378 178.415 176.094 -0.094 0.000 1.055 333 V CA 2.227 64.484 62.300 -0.072 0.000 1.049 333 V CB -0.675 31.109 31.823 -0.066 0.000 0.662 333 V HN 0.457 nan 8.190 nan 0.000 0.455 334 M N 0.110 119.626 119.600 -0.139 0.000 2.080 334 M HA -0.188 4.292 4.480 -0.000 0.000 0.260 334 M C 2.446 178.666 176.300 -0.133 0.000 1.068 334 M CA 2.252 57.452 55.300 -0.167 0.000 1.109 334 M CB -0.672 31.759 32.600 -0.282 0.000 1.342 334 M HN 0.416 nan 8.290 nan 0.000 0.405 335 A N 0.528 123.273 122.820 -0.125 0.000 1.933 335 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 335 A C 2.124 179.667 177.584 -0.068 0.000 1.175 335 A CA 1.639 53.620 52.037 -0.093 0.000 0.628 335 A CB -0.514 18.435 19.000 -0.083 0.000 0.814 335 A HN 0.447 nan 8.150 nan 0.000 0.444 336 K N -0.547 119.817 120.400 -0.061 0.000 2.217 336 K HA 0.053 4.373 4.320 -0.000 0.000 0.202 336 K C 2.032 178.604 176.600 -0.047 0.000 1.051 336 K CA 0.913 57.174 56.287 -0.043 0.000 0.952 336 K CB -0.180 32.302 32.500 -0.031 0.000 0.736 336 K HN 0.439 nan 8.250 nan 0.000 0.453 337 A N 0.690 123.474 122.820 -0.060 0.000 2.123 337 A HA 0.143 4.463 4.320 -0.000 0.000 0.214 337 A C 1.263 178.807 177.584 -0.066 0.000 1.152 337 A CA 0.819 52.817 52.037 -0.066 0.000 0.728 337 A CB -0.260 18.696 19.000 -0.074 0.000 0.814 337 A HN 0.367 nan 8.150 nan 0.000 0.464 338 G N 0.024 108.784 108.800 -0.067 0.000 2.298 338 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.287 338 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.287 338 G C -0.026 174.835 174.900 -0.066 0.000 1.075 338 G CA 0.497 45.559 45.100 -0.062 0.000 0.960 338 G HN 1.456 nan 8.290 nan 0.000 0.502 339 I N -3.340 117.181 120.570 -0.083 0.000 2.828 339 I HA 0.976 5.146 4.170 -0.000 0.000 0.302 339 I C -0.540 175.512 176.117 -0.107 0.000 1.101 339 I CA -1.897 59.353 61.300 -0.083 0.000 1.031 339 I CB 2.318 40.268 38.000 -0.083 0.000 1.231 339 I HN 0.066 nan 8.210 nan 0.000 0.427 340 K N 3.311 123.656 120.400 -0.091 0.000 2.267 340 K HA 0.755 5.075 4.320 -0.000 0.000 0.246 340 K C 0.463 177.012 176.600 -0.085 0.000 0.954 340 K CA 0.077 56.303 56.287 -0.103 0.000 0.824 340 K CB 1.958 34.416 32.500 -0.070 0.000 1.167 340 K HN 0.752 nan 8.250 nan 0.000 0.431 341 A N 1.731 124.491 122.820 -0.100 0.000 1.986 341 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 341 A C 1.733 179.360 177.584 0.070 0.000 1.171 341 A CA 2.291 54.332 52.037 0.007 0.000 0.640 341 A CB -0.929 18.088 19.000 0.028 0.000 0.811 341 A HN 0.750 nan 8.150 nan 0.000 0.451 342 S N -1.022 114.689 115.700 0.018 0.000 2.469 342 S HA -0.142 4.328 4.470 -0.000 0.000 0.238 342 S C 1.796 176.392 174.600 -0.006 0.000 0.998 342 S CA 1.175 59.377 58.200 0.003 0.000 0.957 342 S CB -0.203 62.993 63.200 -0.008 0.000 0.764 342 S HN 0.727 nan 8.310 nan 0.000 0.514 343 Q N 0.606 120.402 119.800 -0.007 0.000 2.488 343 Q HA 0.066 4.406 4.340 -0.000 0.000 0.211 343 Q C 0.955 176.951 176.000 -0.006 0.000 0.967 343 Q CA 0.357 56.155 55.803 -0.008 0.000 0.926 343 Q CB 0.117 28.843 28.738 -0.020 0.000 0.992 343 Q HN 0.281 nan 8.270 nan 0.000 0.506 344 R N 0.604 121.103 120.500 -0.001 0.000 2.220 344 R HA 0.047 4.387 4.340 -0.000 0.000 0.340 344 R C 1.024 177.299 176.300 -0.041 0.000 1.076 344 R CA -0.135 55.956 56.100 -0.015 0.000 0.920 344 R CB 0.611 30.918 30.300 0.012 0.000 1.062 344 R HN 0.135 nan 8.270 nan 0.000 0.469 345 V N 2.765 122.663 119.914 -0.027 0.000 2.720 345 V HA -0.158 3.962 4.120 -0.000 0.000 0.256 345 V C 1.504 177.567 176.094 -0.052 0.000 1.082 345 V CA 1.698 63.980 62.300 -0.029 0.000 1.101 345 V CB -0.518 31.299 31.823 -0.010 0.000 0.693 345 V HN 0.614 nan 8.190 nan 0.000 0.479 346 V N -3.054 116.819 119.914 -0.068 0.000 3.573 346 V HA 0.126 4.246 4.120 -0.000 0.000 0.270 346 V C 2.160 178.190 176.094 -0.107 0.000 1.221 346 V CA 1.068 63.325 62.300 -0.070 0.000 1.163 346 V CB -0.408 31.381 31.823 -0.057 0.000 0.847 346 V HN 0.301 nan 8.190 nan 0.000 0.468 347 V N 1.113 120.902 119.914 -0.208 0.000 2.255 347 V HA -0.164 3.956 4.120 -0.000 0.000 0.243 347 V C 2.731 178.714 176.094 -0.186 0.000 1.038 347 V CA 2.490 64.545 62.300 -0.407 0.000 1.008 347 V CB -0.546 31.009 31.823 -0.446 0.000 0.645 347 V HN 0.546 nan 8.190 nan 0.000 0.449 348 E N -0.091 120.047 120.200 -0.102 0.000 2.077 348 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 348 E C -0.211 176.372 176.600 -0.028 0.000 0.989 348 E CA 1.562 57.933 56.400 -0.049 0.000 0.800 348 E CB -1.091 28.589 29.700 -0.032 0.000 0.746 348 E HN 0.540 nan 8.360 nan 0.000 0.452 349 P HA -0.190 nan 4.420 nan 0.000 0.215 349 P C 1.133 178.428 177.300 -0.008 0.000 1.153 349 P CA 1.847 64.935 63.100 -0.019 0.000 0.853 349 P CB -0.013 31.671 31.700 -0.026 0.000 0.788 350 A N -0.061 122.760 122.820 0.001 0.000 1.902 350 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 350 A C 2.260 179.862 177.584 0.031 0.000 1.181 350 A CA 1.528 53.581 52.037 0.026 0.000 0.623 350 A CB -1.049 18.002 19.000 0.085 0.000 0.818 350 A HN 0.073 nan 8.150 nan 0.000 0.443 351 R N -0.745 119.775 120.500 0.033 0.000 2.092 351 R HA -0.126 4.214 4.340 -0.000 0.000 0.231 351 R C 2.419 178.729 176.300 0.016 0.000 1.119 351 R CA 1.502 57.620 56.100 0.030 0.000 0.970 351 R CB -0.319 29.996 30.300 0.026 0.000 0.864 351 R HN 0.687 nan 8.270 nan 0.000 0.440 352 Q N 0.139 119.944 119.800 0.007 0.000 2.124 352 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 352 Q C 2.192 178.195 176.000 0.005 0.000 0.977 352 Q CA 1.437 57.242 55.803 0.004 0.000 0.850 352 Q CB -0.025 28.712 28.738 -0.001 0.000 0.901 352 Q HN 0.150 nan 8.270 nan 0.000 0.429 353 V N 1.034 120.950 119.914 0.004 0.000 2.332 353 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 353 V C 2.127 178.224 176.094 0.005 0.000 1.055 353 V CA 2.160 64.462 62.300 0.003 0.000 1.038 353 V CB -0.530 31.294 31.823 0.001 0.000 0.651 353 V HN 0.412 nan 8.190 nan 0.000 0.450 354 E N -0.024 120.180 120.200 0.008 0.000 2.046 354 E HA -0.230 4.120 4.350 -0.000 0.000 0.190 354 E C 2.235 178.841 176.600 0.010 0.000 0.982 354 E CA 1.240 57.646 56.400 0.009 0.000 0.800 354 E CB -0.063 29.645 29.700 0.012 0.000 0.756 354 E HN 0.685 nan 8.360 nan 0.000 0.449 355 E N -0.111 120.095 120.200 0.011 0.000 2.118 355 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 355 E C 1.982 178.587 176.600 0.008 0.000 0.992 355 E CA 1.593 57.999 56.400 0.010 0.000 0.804 355 E CB -0.040 29.666 29.700 0.010 0.000 0.741 355 E HN 0.226 nan 8.360 nan 0.000 0.458 356 R N -0.363 120.141 120.500 0.007 0.000 2.397 356 R HA 0.097 4.437 4.340 -0.000 0.000 0.241 356 R C 1.409 177.713 176.300 0.005 0.000 0.914 356 R CA 0.895 56.998 56.100 0.006 0.000 1.071 356 R CB 0.111 30.413 30.300 0.004 0.000 1.116 356 R HN 0.033 nan 8.270 nan 0.000 0.524 357 T N -4.544 110.013 114.554 0.006 0.000 2.955 357 T HA 0.220 4.570 4.350 -0.000 0.000 0.251 357 T C 0.740 175.444 174.700 0.006 0.000 1.002 357 T CA 0.208 62.311 62.100 0.005 0.000 0.970 357 T CB 0.189 69.060 68.868 0.004 0.000 1.091 357 T HN 0.110 nan 8.240 nan 0.000 0.495 358 S N 0.670 116.374 115.700 0.007 0.000 3.382 358 S HA -0.109 4.361 4.470 -0.000 0.000 0.293 358 S C -0.095 174.510 174.600 0.009 0.000 1.262 358 S CA 0.667 58.872 58.200 0.009 0.000 0.969 358 S CB -2.203 61.003 63.200 0.009 0.000 1.136 358 S HN 0.693 nan 8.310 nan 0.000 0.635 359 L N -0.035 121.193 121.223 0.007 0.000 2.350 359 L HA 0.567 4.907 4.340 -0.000 0.000 0.260 359 L C -2.530 174.343 176.870 0.004 0.000 1.015 359 L CA -2.855 51.988 54.840 0.006 0.000 0.821 359 L CB 1.557 43.618 42.059 0.003 0.000 1.370 359 L HN -0.226 nan 8.230 nan 0.000 0.416 360 P HA 0.068 nan 4.420 nan 0.000 0.264 360 P C -0.455 176.842 177.300 -0.005 0.000 1.183 360 P CA 0.127 63.225 63.100 -0.003 0.000 0.763 360 P CB 0.582 32.281 31.700 -0.002 0.000 0.807 361 G N 0.686 109.480 108.800 -0.010 0.000 2.788 361 G HA2 0.646 4.606 3.960 -0.000 0.000 0.293 361 G HA3 0.646 4.606 3.960 -0.000 0.000 0.293 361 G C -1.578 173.308 174.900 -0.022 0.000 1.305 361 G CA -0.594 44.501 45.100 -0.008 0.000 1.005 361 G HN 0.683 nan 8.290 nan 0.000 0.496 362 C N -1.040 118.250 119.300 -0.018 0.000 3.254 362 C HA 0.764 5.224 4.460 -0.000 0.000 0.405 362 C C -0.678 174.296 174.990 -0.027 0.000 1.027 362 C CA 0.349 59.347 59.018 -0.033 0.000 1.192 362 C CB 0.319 28.054 27.740 -0.009 0.000 1.567 362 C HN 1.598 nan 8.230 nan 0.000 0.582 363 A N 5.000 127.794 122.820 -0.044 0.000 2.549 363 A HA 0.897 5.217 4.320 -0.000 0.000 0.297 363 A C -1.588 175.953 177.584 -0.073 0.000 1.061 363 A CA -0.421 51.589 52.037 -0.045 0.000 0.690 363 A CB 1.371 20.351 19.000 -0.032 0.000 1.287 363 A HN 1.380 nan 8.150 nan 0.000 0.402 364 I N 0.331 120.858 120.570 -0.071 0.000 2.608 364 I HA 0.517 4.687 4.170 -0.000 0.000 0.295 364 I C -0.541 175.531 176.117 -0.075 0.000 1.049 364 I CA -0.389 60.861 61.300 -0.083 0.000 1.063 364 I CB 1.853 39.808 38.000 -0.075 0.000 1.248 364 I HN 0.815 nan 8.210 nan 0.000 0.424 365 E N 6.782 126.942 120.200 -0.067 0.000 2.113 365 E HA 0.309 4.659 4.350 -0.000 0.000 0.273 365 E C -1.387 175.185 176.600 -0.046 0.000 0.924 365 E CA -0.787 55.580 56.400 -0.056 0.000 0.764 365 E CB 1.176 30.853 29.700 -0.038 0.000 1.104 365 E HN 0.424 nan 8.360 nan 0.000 0.406 366 L N 4.161 125.351 121.223 -0.055 0.000 2.466 366 L HA 0.042 4.382 4.340 -0.000 0.000 0.257 366 L C 1.546 178.411 176.870 -0.008 0.000 1.189 366 L CA 0.465 55.287 54.840 -0.030 0.000 0.813 366 L CB 0.923 42.958 42.059 -0.042 0.000 1.118 366 L HN 0.553 nan 8.230 nan 0.000 0.471 367 V N 1.190 121.110 119.914 0.010 0.000 2.392 367 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 367 V C 1.960 178.065 176.094 0.018 0.000 1.059 367 V CA 2.215 64.526 62.300 0.017 0.000 1.051 367 V CB -0.326 31.511 31.823 0.024 0.000 0.658 367 V HN 1.017 nan 8.190 nan 0.000 0.455 368 D N -0.121 120.294 120.400 0.025 0.000 2.203 368 D HA -0.076 4.564 4.640 -0.000 0.000 0.199 368 D C 1.624 177.932 176.300 0.015 0.000 0.997 368 D CA 2.102 56.121 54.000 0.032 0.000 0.863 368 D CB -0.310 40.529 40.800 0.066 0.000 0.928 368 D HN 0.749 nan 8.370 nan 0.000 0.458 369 G N -1.669 107.129 108.800 -0.002 0.000 2.218 369 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 369 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 369 G C 0.333 175.215 174.900 -0.031 0.000 0.994 369 G CA 0.297 45.391 45.100 -0.011 0.000 0.637 369 G HN 0.385 nan 8.290 nan 0.000 0.505 370 S N 1.557 117.224 115.700 -0.055 0.000 2.549 370 S HA 0.515 4.985 4.470 -0.000 0.000 0.283 370 S C 0.553 175.072 174.600 -0.135 0.000 1.320 370 S CA 0.005 58.134 58.200 -0.118 0.000 1.058 370 S CB 0.936 63.975 63.200 -0.269 0.000 0.882 370 S HN 0.319 nan 8.310 nan 0.000 0.498 371 I N 3.799 124.301 120.570 -0.113 0.000 2.315 371 I HA 0.383 4.553 4.170 -0.000 0.000 0.291 371 I C -0.263 175.784 176.117 -0.117 0.000 1.006 371 I CA -0.385 60.858 61.300 -0.096 0.000 1.265 371 I CB 0.539 38.503 38.000 -0.060 0.000 1.387 371 I HN 0.445 nan 8.210 nan 0.000 0.475 372 I N 5.713 126.214 120.570 -0.114 0.000 2.465 372 I HA 0.345 4.515 4.170 -0.000 0.000 0.291 372 I C 0.588 176.673 176.117 -0.054 0.000 1.014 372 I CA -0.081 61.161 61.300 -0.096 0.000 1.093 372 I CB 2.186 40.114 38.000 -0.121 0.000 1.267 372 I HN 0.665 nan 8.210 nan 0.000 0.431 373 T N 1.903 116.437 114.554 -0.034 0.000 2.949 373 T HA 0.932 5.281 4.350 -0.000 0.000 0.287 373 T C -0.139 174.557 174.700 -0.007 0.000 1.034 373 T CA -0.841 61.246 62.100 -0.020 0.000 1.018 373 T CB 1.816 70.675 68.868 -0.016 0.000 1.135 373 T HN 0.738 nan 8.240 nan 0.000 0.532 374 G N -0.625 108.174 108.800 -0.001 0.000 2.571 374 G HA2 0.742 4.702 3.960 -0.000 0.000 0.304 374 G HA3 0.742 4.702 3.960 -0.000 0.000 0.304 374 G C -1.187 173.716 174.900 0.005 0.000 1.314 374 G CA -0.722 44.383 45.100 0.008 0.000 0.975 374 G HN 1.083 nan 8.290 nan 0.000 0.485 375 A N 0.615 123.437 122.820 0.005 0.000 2.384 375 A HA 0.879 5.199 4.320 -0.000 0.000 0.312 375 A C 0.152 177.736 177.584 0.000 0.000 1.113 375 A CA -0.600 51.438 52.037 0.002 0.000 0.779 375 A CB 1.384 20.385 19.000 0.002 0.000 1.307 375 A HN 0.709 nan 8.150 nan 0.000 0.436 376 T N 2.121 116.674 114.554 -0.003 0.000 2.832 376 T HA 0.517 4.867 4.350 -0.000 0.000 0.296 376 T C 0.593 175.290 174.700 -0.006 0.000 0.968 376 T CA 0.401 62.496 62.100 -0.008 0.000 1.107 376 T CB 0.381 69.243 68.868 -0.010 0.000 0.916 376 T HN 1.050 nan 8.240 nan 0.000 0.517 377 S N 1.632 117.327 115.700 -0.008 0.000 2.811 377 S HA 0.428 4.898 4.470 -0.000 0.000 0.311 377 S C 0.550 175.145 174.600 -0.009 0.000 1.152 377 S CA -0.947 57.251 58.200 -0.003 0.000 0.864 377 S CB 1.349 64.553 63.200 0.005 0.000 1.226 377 S HN 0.515 nan 8.310 nan 0.000 0.541 378 D N -0.093 120.305 120.400 -0.004 0.000 2.178 378 D HA -0.067 4.573 4.640 -0.000 0.000 0.201 378 D C 1.565 177.858 176.300 -0.011 0.000 0.980 378 D CA 1.114 55.109 54.000 -0.007 0.000 0.842 378 D CB -0.091 40.708 40.800 -0.002 0.000 0.948 378 D HN 0.345 nan 8.370 nan 0.000 0.472 379 L N -0.367 120.852 121.223 -0.006 0.000 2.253 379 L HA 0.169 4.509 4.340 -0.000 0.000 0.205 379 L C -0.046 176.813 176.870 -0.018 0.000 1.078 379 L CA 0.789 55.625 54.840 -0.006 0.000 0.805 379 L CB 0.320 42.384 42.059 0.009 0.000 0.963 379 L HN -0.181 nan 8.230 nan 0.000 0.459 380 L N -0.365 120.846 121.223 -0.021 0.000 2.386 380 L HA 0.664 5.004 4.340 -0.000 0.000 0.271 380 L C 0.416 177.258 176.870 -0.048 0.000 0.993 380 L CA -0.363 54.459 54.840 -0.031 0.000 0.819 380 L CB 1.193 43.248 42.059 -0.008 0.000 1.294 380 L HN 0.053 nan 8.230 nan 0.000 0.414 381 G N 0.493 109.244 108.800 -0.081 0.000 2.606 381 G HA2 0.278 4.238 3.960 -0.000 0.000 0.252 381 G HA3 0.278 4.238 3.960 -0.000 0.000 0.252 381 G C 1.219 176.103 174.900 -0.027 0.000 1.206 381 G CA 0.111 45.164 45.100 -0.077 0.000 0.861 381 G HN 1.042 nan 8.290 nan 0.000 0.561 382 C N -0.431 118.864 119.300 -0.009 0.000 2.432 382 C HA -0.022 4.438 4.460 -0.000 0.000 0.280 382 C C 2.968 177.982 174.990 0.040 0.000 1.353 382 C CA 1.063 60.087 59.018 0.011 0.000 1.766 382 C CB -1.273 26.471 27.740 0.006 0.000 1.924 382 C HN 0.719 nan 8.230 nan 0.000 0.509 383 S N 1.976 117.718 115.700 0.071 0.000 2.371 383 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 383 S C 1.795 176.467 174.600 0.120 0.000 1.029 383 S CA 1.526 59.824 58.200 0.164 0.000 0.978 383 S CB -0.906 62.463 63.200 0.282 0.000 0.833 383 S HN 0.679 nan 8.310 nan 0.000 0.466 384 S N 2.247 117.971 115.700 0.040 0.000 2.359 384 S HA -0.134 4.336 4.470 -0.000 0.000 0.224 384 S C 2.222 176.838 174.600 0.027 0.000 1.035 384 S CA 1.466 59.673 58.200 0.013 0.000 1.018 384 S CB -0.838 62.354 63.200 -0.013 0.000 0.876 384 S HN 0.748 nan 8.310 nan 0.000 0.448 385 S N 1.541 117.255 115.700 0.024 0.000 2.368 385 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 385 S C 1.935 176.554 174.600 0.032 0.000 1.030 385 S CA 1.451 59.665 58.200 0.022 0.000 0.999 385 S CB -0.461 62.747 63.200 0.014 0.000 0.844 385 S HN 0.510 nan 8.310 nan 0.000 0.459 386 M N 0.487 120.115 119.600 0.047 0.000 2.117 386 M HA -0.051 4.429 4.480 -0.000 0.000 0.262 386 M C 2.029 178.367 176.300 0.064 0.000 1.065 386 M CA 1.487 56.817 55.300 0.050 0.000 1.114 386 M CB -0.340 32.296 32.600 0.060 0.000 1.361 386 M HN 0.410 nan 8.290 nan 0.000 0.408 387 L N 0.406 121.684 121.223 0.091 0.000 2.017 387 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 387 L C 2.403 179.308 176.870 0.059 0.000 1.073 387 L CA 1.604 56.499 54.840 0.092 0.000 0.745 387 L CB -0.849 41.261 42.059 0.085 0.000 0.894 387 L HN 0.447 nan 8.230 nan 0.000 0.432 388 L N -0.456 120.792 121.223 0.043 0.000 2.083 388 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 388 L C 2.346 179.236 176.870 0.033 0.000 1.083 388 L CA 1.001 55.860 54.840 0.033 0.000 0.752 388 L CB -0.668 41.405 42.059 0.024 0.000 0.899 388 L HN 0.372 nan 8.230 nan 0.000 0.433 389 N N 0.490 119.209 118.700 0.032 0.000 2.120 389 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 389 N C 1.888 177.433 175.510 0.059 0.000 1.024 389 N CA 1.594 54.665 53.050 0.035 0.000 0.852 389 N CB -0.322 38.178 38.487 0.022 0.000 1.003 389 N HN 0.318 nan 8.380 nan 0.000 0.424 390 A N 0.855 123.705 122.820 0.050 0.000 1.898 390 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 390 A C 2.081 179.716 177.584 0.085 0.000 1.181 390 A CA 0.883 52.953 52.037 0.054 0.000 0.620 390 A CB -0.444 18.578 19.000 0.037 0.000 0.819 390 A HN 0.088 nan 8.150 nan 0.000 0.442 391 L N -0.146 121.117 121.223 0.067 0.000 2.093 391 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 391 L C 2.276 179.180 176.870 0.057 0.000 1.085 391 L CA 1.850 56.725 54.840 0.059 0.000 0.755 391 L CB -1.025 41.061 42.059 0.045 0.000 0.904 391 L HN 0.356 nan 8.230 nan 0.000 0.435 392 K N -1.536 118.897 120.400 0.055 0.000 2.057 392 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 392 K C 2.256 178.886 176.600 0.051 0.000 1.049 392 K CA 1.190 57.501 56.287 0.041 0.000 0.931 392 K CB -0.259 32.258 32.500 0.028 0.000 0.714 392 K HN 0.338 nan 8.250 nan 0.000 0.440 393 H N 0.877 119.947 119.070 -0.000 0.000 2.321 393 H HA -0.067 4.489 4.556 -0.000 0.000 0.300 393 H C 1.968 177.297 175.328 0.003 0.000 1.087 393 H CA 1.503 57.551 56.048 -0.000 0.000 1.319 393 H CB 0.020 29.782 29.762 0.001 0.000 1.379 393 H HN 0.114 nan 8.280 nan 0.000 0.501 394 L N 0.024 121.341 121.223 0.156 0.000 2.141 394 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 394 L C 2.778 179.663 176.870 0.025 0.000 1.094 394 L CA 0.912 55.812 54.840 0.100 0.000 0.763 394 L CB -0.300 41.816 42.059 0.095 0.000 0.908 394 L HN 0.250 nan 8.230 nan 0.000 0.437 395 A N -0.656 122.172 122.820 0.013 0.000 2.178 395 A HA 0.277 4.597 4.320 -0.000 0.000 0.211 395 A C 1.650 179.217 177.584 -0.028 0.000 1.157 395 A CA 0.680 52.715 52.037 -0.003 0.000 0.780 395 A CB -0.283 18.721 19.000 0.007 0.000 0.828 395 A HN 0.469 nan 8.150 nan 0.000 0.476 396 G N -0.569 108.193 108.800 -0.063 0.000 2.198 396 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.257 396 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.257 396 G C -0.044 174.820 174.900 -0.059 0.000 1.042 396 G CA 0.310 45.357 45.100 -0.088 0.000 0.791 396 G HN 0.444 nan 8.290 nan 0.000 0.502 397 I N 0.577 121.121 120.570 -0.043 0.000 2.365 397 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 397 I C 0.764 176.861 176.117 -0.034 0.000 1.004 397 I CA -0.555 60.728 61.300 -0.028 0.000 1.311 397 I CB 1.008 39.001 38.000 -0.013 0.000 1.401 397 I HN 0.227 nan 8.210 nan 0.000 0.491 398 D N 4.052 124.434 120.400 -0.031 0.000 2.525 398 D HA -0.133 4.507 4.640 -0.000 0.000 0.235 398 D C 0.991 177.271 176.300 -0.034 0.000 1.137 398 D CA 0.472 54.453 54.000 -0.031 0.000 0.868 398 D CB 0.769 41.555 40.800 -0.024 0.000 1.180 398 D HN 0.584 nan 8.370 nan 0.000 0.465 399 D N 2.446 122.828 120.400 -0.031 0.000 2.158 399 D HA -0.200 4.440 4.640 -0.000 0.000 0.197 399 D C 1.711 177.965 176.300 -0.076 0.000 0.995 399 D CA 1.656 55.633 54.000 -0.037 0.000 0.846 399 D CB 0.024 40.813 40.800 -0.019 0.000 0.941 399 D HN 0.444 nan 8.370 nan 0.000 0.456 400 A N -0.095 122.682 122.820 -0.071 0.000 2.119 400 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 400 A C 0.857 178.343 177.584 -0.163 0.000 1.153 400 A CA 0.062 52.038 52.037 -0.102 0.000 0.692 400 A CB -0.243 18.733 19.000 -0.041 0.000 0.799 400 A HN 0.207 nan 8.150 nan 0.000 0.458 401 I N 1.583 122.088 120.570 -0.107 0.000 2.598 401 I HA 0.009 4.179 4.170 -0.000 0.000 0.284 401 I C -0.308 175.727 176.117 -0.136 0.000 1.140 401 I CA 0.207 61.467 61.300 -0.066 0.000 1.420 401 I CB -0.482 37.507 38.000 -0.019 0.000 1.387 401 I HN 0.260 nan 8.210 nan 0.000 0.553 402 H N 6.382 125.456 119.070 0.006 0.000 2.846 402 H HA 0.258 4.814 4.556 -0.000 0.000 0.278 402 H C 0.106 175.438 175.328 0.007 0.000 1.117 402 H CA -0.541 55.511 56.048 0.007 0.000 1.406 402 H CB 0.474 30.239 29.762 0.005 0.000 1.445 402 H HN 0.356 nan 8.280 nan 0.000 0.469 403 L N 2.267 123.541 121.223 0.085 0.000 2.990 403 L HA 0.372 4.712 4.340 -0.000 0.000 0.231 403 L C -0.792 176.113 176.870 0.058 0.000 1.341 403 L CA -0.123 54.752 54.840 0.059 0.000 1.208 403 L CB -0.309 41.770 42.059 0.032 0.000 1.571 403 L HN 0.307 nan 8.230 nan 0.000 0.453 404 L N 0.112 121.379 121.223 0.074 0.000 2.680 404 L HA 0.437 4.777 4.340 -0.000 0.000 0.260 404 L C -0.170 176.723 176.870 0.040 0.000 0.975 404 L CA 0.250 55.121 54.840 0.052 0.000 0.920 404 L CB 1.817 43.910 42.059 0.057 0.000 1.234 404 L HN 0.190 nan 8.230 nan 0.000 0.429 405 S N 5.091 120.805 115.700 0.024 0.000 2.564 405 S HA 0.283 4.753 4.470 -0.000 0.000 0.278 405 S C -1.610 172.991 174.600 0.001 0.000 1.333 405 S CA -0.682 57.523 58.200 0.009 0.000 1.048 405 S CB 0.779 63.984 63.200 0.008 0.000 0.900 405 S HN 0.510 nan 8.310 nan 0.000 0.505 406 P HA -0.030 nan 4.420 nan 0.000 0.236 406 P C 0.272 177.569 177.300 -0.005 0.000 1.172 406 P CA 0.732 63.824 63.100 -0.013 0.000 0.759 406 P CB 0.190 31.875 31.700 -0.026 0.000 0.843 407 E N -0.198 120.000 120.200 -0.002 0.000 2.371 407 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 407 E C 2.111 178.714 176.600 0.004 0.000 1.012 407 E CA 0.967 57.368 56.400 0.001 0.000 0.860 407 E CB -0.318 29.382 29.700 0.001 0.000 0.811 407 E HN 0.357 nan 8.360 nan 0.000 0.502 408 S N -0.554 115.149 115.700 0.006 0.000 2.456 408 S HA 0.079 4.548 4.470 -0.000 0.000 0.224 408 S C 1.962 176.568 174.600 0.010 0.000 1.035 408 S CA 0.052 58.256 58.200 0.008 0.000 0.940 408 S CB -0.097 63.108 63.200 0.010 0.000 0.799 408 S HN 0.099 nan 8.310 nan 0.000 0.508 409 I N 2.507 123.082 120.570 0.009 0.000 2.193 409 I HA -0.108 4.062 4.170 -0.000 0.000 0.240 409 I C 2.827 178.950 176.117 0.010 0.000 1.084 409 I CA 1.672 62.978 61.300 0.010 0.000 1.365 409 I CB -0.404 37.600 38.000 0.007 0.000 1.064 409 I HN 0.379 nan 8.210 nan 0.000 0.410 410 E N 2.070 122.274 120.200 0.008 0.000 2.114 410 E HA -0.231 4.118 4.350 -0.000 0.000 0.199 410 E C -0.677 175.934 176.600 0.018 0.000 1.008 410 E CA 2.075 58.481 56.400 0.010 0.000 0.810 410 E CB -1.569 28.135 29.700 0.006 0.000 0.739 410 E HN 0.297 nan 8.360 nan 0.000 0.456 411 P HA -0.061 nan 4.420 nan 0.000 0.217 411 P C 1.270 178.590 177.300 0.033 0.000 1.150 411 P CA 1.371 64.487 63.100 0.026 0.000 0.832 411 P CB -0.062 31.648 31.700 0.017 0.000 0.787 412 I N -0.742 119.844 120.570 0.027 0.000 2.252 412 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 412 I C 2.473 178.612 176.117 0.037 0.000 1.102 412 I CA 1.285 62.604 61.300 0.031 0.000 1.385 412 I CB -0.727 37.289 38.000 0.026 0.000 1.064 412 I HN -0.009 nan 8.210 nan 0.000 0.414 413 Q N 0.426 120.243 119.800 0.029 0.000 2.046 413 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 413 Q C 2.271 178.288 176.000 0.029 0.000 0.975 413 Q CA 2.037 57.855 55.803 0.024 0.000 0.836 413 Q CB -0.676 28.070 28.738 0.013 0.000 0.896 413 Q HN 0.493 nan 8.270 nan 0.000 0.428 414 T N 2.181 116.757 114.554 0.036 0.000 2.833 414 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 414 T C 1.897 176.658 174.700 0.101 0.000 1.054 414 T CA 0.895 63.022 62.100 0.045 0.000 1.135 414 T CB -0.217 68.684 68.868 0.055 0.000 0.869 414 T HN 0.102 nan 8.240 nan 0.000 0.466 415 L N 0.885 122.183 121.223 0.124 0.000 2.056 415 L HA 0.059 4.399 4.340 -0.000 0.000 0.207 415 L C 2.220 179.165 176.870 0.125 0.000 1.078 415 L CA 1.777 56.721 54.840 0.173 0.000 0.749 415 L CB -0.354 41.759 42.059 0.090 0.000 0.901 415 L HN 0.024 nan 8.230 nan 0.000 0.433 416 K N -1.066 119.377 120.400 0.071 0.000 2.031 416 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 416 K C 1.958 178.576 176.600 0.030 0.000 1.049 416 K CA 1.894 58.212 56.287 0.052 0.000 0.939 416 K CB -0.268 32.260 32.500 0.047 0.000 0.717 416 K HN 0.617 nan 8.250 nan 0.000 0.438 417 T N -1.401 113.158 114.554 0.010 0.000 2.852 417 T HA -0.021 4.329 4.350 -0.000 0.000 0.256 417 T C 2.110 176.776 174.700 -0.058 0.000 1.038 417 T CA 0.735 62.825 62.100 -0.017 0.000 1.141 417 T CB -0.450 68.406 68.868 -0.020 0.000 0.869 417 T HN -0.110 nan 8.240 nan 0.000 0.439 418 V N 1.389 121.234 119.914 -0.116 0.000 2.346 418 V HA -0.058 4.062 4.120 -0.000 0.000 0.244 418 V C 2.681 178.571 176.094 -0.341 0.000 1.037 418 V CA 1.468 63.598 62.300 -0.282 0.000 1.029 418 V CB -0.670 30.880 31.823 -0.456 0.000 0.663 418 V HN 0.597 nan 8.190 nan 0.000 0.454 419 H N -1.208 117.863 119.070 0.001 0.000 2.557 419 H HA 0.307 4.863 4.556 -0.000 0.000 0.281 419 H C 1.897 177.225 175.328 0.000 0.000 0.990 419 H CA 0.659 56.707 56.048 0.000 0.000 1.278 419 H CB 0.611 30.373 29.762 -0.000 0.000 1.451 419 H HN 0.293 nan 8.280 nan 0.000 0.516 420 L N 0.038 121.324 121.223 0.105 0.000 2.607 420 L HA 0.199 4.539 4.340 -0.000 0.000 0.228 420 L C 1.199 178.088 176.870 0.031 0.000 1.123 420 L CA 0.436 55.313 54.840 0.061 0.000 0.890 420 L CB 0.258 42.350 42.059 0.055 0.000 1.103 420 L HN 0.328 nan 8.230 nan 0.000 0.468 421 G N 1.221 110.030 108.800 0.015 0.000 2.233 421 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.270 421 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.270 421 G C 0.443 175.345 174.900 0.004 0.000 1.011 421 G CA 0.664 45.764 45.100 0.000 0.000 0.762 421 G HN 0.516 nan 8.290 nan 0.000 0.511 422 S N -0.776 114.932 115.700 0.012 0.000 2.601 422 S HA 0.661 5.131 4.470 -0.000 0.000 0.271 422 S C 1.449 176.055 174.600 0.009 0.000 1.305 422 S CA 0.630 58.840 58.200 0.016 0.000 1.022 422 S CB 1.833 65.052 63.200 0.031 0.000 0.940 422 S HN 1.338 nan 8.310 nan 0.000 0.525 423 S N 0.799 116.503 115.700 0.008 0.000 2.503 423 S HA 0.119 4.589 4.470 -0.000 0.000 0.215 423 S C 0.411 175.013 174.600 0.004 0.000 1.003 423 S CA -0.197 58.005 58.200 0.003 0.000 0.910 423 S CB -0.629 62.572 63.200 0.001 0.000 0.790 423 S HN 0.743 nan 8.310 nan 0.000 0.514 424 N N 3.363 122.069 118.700 0.010 0.000 2.500 424 N HA 0.391 5.131 4.740 -0.000 0.000 0.236 424 N C -2.014 173.499 175.510 0.005 0.000 1.022 424 N CA -2.065 50.988 53.050 0.005 0.000 0.935 424 N CB 1.491 39.983 38.487 0.008 0.000 1.147 424 N HN 0.089 nan 8.380 nan 0.000 0.512 425 P HA 0.046 nan 4.420 nan 0.000 0.251 425 P C -0.339 176.952 177.300 -0.015 0.000 1.223 425 P CA 0.092 63.192 63.100 -0.001 0.000 0.796 425 P CB 0.107 31.806 31.700 -0.002 0.000 1.068 426 R N 0.740 121.215 120.500 -0.042 0.000 2.643 426 R HA 0.307 4.647 4.340 -0.000 0.000 0.270 426 R C -0.187 176.041 176.300 -0.121 0.000 1.061 426 R CA -0.397 55.660 56.100 -0.072 0.000 1.107 426 R CB 0.064 30.314 30.300 -0.083 0.000 0.999 426 R HN -0.027 nan 8.270 nan 0.000 0.460 427 L N 2.359 123.522 121.223 -0.099 0.000 2.357 427 L HA 0.341 4.681 4.340 -0.000 0.000 0.273 427 L C 0.233 177.006 176.870 -0.161 0.000 1.080 427 L CA -0.906 53.891 54.840 -0.073 0.000 0.803 427 L CB 0.953 43.006 42.059 -0.011 0.000 1.174 427 L HN 0.671 nan 8.230 nan 0.000 0.443 428 H N -0.495 118.563 119.070 -0.021 0.000 2.490 428 H HA 0.176 4.732 4.556 -0.000 0.000 0.354 428 H C 1.008 176.300 175.328 -0.060 0.000 1.365 428 H CA -0.220 55.806 56.048 -0.038 0.000 1.413 428 H CB 0.716 30.453 29.762 -0.041 0.000 1.631 428 H HN 0.584 nan 8.280 nan 0.000 0.607 429 T N -0.212 114.363 114.554 0.035 0.000 2.867 429 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 429 T C 1.411 176.071 174.700 -0.066 0.000 1.057 429 T CA 1.422 63.474 62.100 -0.081 0.000 1.136 429 T CB -0.162 68.545 68.868 -0.268 0.000 0.874 429 T HN 0.744 nan 8.240 nan 0.000 0.466 430 D N 2.529 122.903 120.400 -0.044 0.000 2.149 430 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 430 D C 1.809 178.101 176.300 -0.013 0.000 0.972 430 D CA 1.124 55.099 54.000 -0.042 0.000 0.835 430 D CB -0.408 40.362 40.800 -0.050 0.000 0.966 430 D HN 0.661 nan 8.370 nan 0.000 0.476 431 E N 0.736 120.945 120.200 0.015 0.000 2.299 431 E HA -0.004 4.346 4.350 -0.000 0.000 0.193 431 E C 2.339 178.947 176.600 0.014 0.000 0.998 431 E CA 0.229 56.642 56.400 0.021 0.000 0.851 431 E CB -0.090 29.637 29.700 0.046 0.000 0.795 431 E HN 0.107 nan 8.360 nan 0.000 0.492 432 V N 1.337 121.256 119.914 0.009 0.000 2.323 432 V HA -0.199 3.921 4.120 -0.000 0.000 0.244 432 V C 2.157 178.252 176.094 0.001 0.000 1.041 432 V CA 1.158 63.460 62.300 0.004 0.000 1.025 432 V CB -0.253 31.570 31.823 -0.001 0.000 0.656 432 V HN 0.214 nan 8.190 nan 0.000 0.451 433 L N -0.605 120.613 121.223 -0.009 0.000 2.131 433 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 433 L C 2.111 178.979 176.870 -0.004 0.000 1.092 433 L CA 1.756 56.591 54.840 -0.009 0.000 0.759 433 L CB -0.853 41.193 42.059 -0.023 0.000 0.903 433 L HN 0.253 nan 8.230 nan 0.000 0.435 434 I N -1.003 119.565 120.570 -0.004 0.000 2.202 434 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 434 I C 2.509 178.628 176.117 0.004 0.000 1.091 434 I CA 1.154 62.454 61.300 -0.001 0.000 1.368 434 I CB -0.377 37.622 38.000 -0.001 0.000 1.058 434 I HN 0.200 nan 8.210 nan 0.000 0.410 435 A N 0.398 123.222 122.820 0.007 0.000 1.972 435 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 435 A C 2.218 179.809 177.584 0.012 0.000 1.169 435 A CA 1.407 53.450 52.037 0.010 0.000 0.635 435 A CB -0.683 18.325 19.000 0.013 0.000 0.810 435 A HN 0.386 nan 8.150 nan 0.000 0.446 436 L N -0.554 120.676 121.223 0.011 0.000 2.056 436 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 436 L C 2.576 179.452 176.870 0.011 0.000 1.078 436 L CA 2.429 57.277 54.840 0.014 0.000 0.749 436 L CB -0.632 41.435 42.059 0.013 0.000 0.901 436 L HN 0.313 nan 8.230 nan 0.000 0.433 437 S N -1.638 114.066 115.700 0.008 0.000 2.402 437 S HA -0.105 4.365 4.470 -0.000 0.000 0.229 437 S C 1.921 176.525 174.600 0.006 0.000 1.021 437 S CA 1.230 59.434 58.200 0.006 0.000 0.974 437 S CB -0.249 62.953 63.200 0.004 0.000 0.800 437 S HN 0.297 nan 8.310 nan 0.000 0.484 438 V N 1.297 121.215 119.914 0.006 0.000 2.358 438 V HA -0.087 4.033 4.120 -0.000 0.000 0.246 438 V C 2.573 178.672 176.094 0.008 0.000 1.047 438 V CA 2.051 64.355 62.300 0.006 0.000 1.035 438 V CB -0.913 30.914 31.823 0.006 0.000 0.658 438 V HN 0.461 nan 8.190 nan 0.000 0.452 439 S N 0.425 116.131 115.700 0.010 0.000 2.399 439 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 439 S C 2.108 176.715 174.600 0.012 0.000 1.022 439 S CA 1.287 59.495 58.200 0.013 0.000 0.983 439 S CB -0.421 62.790 63.200 0.018 0.000 0.803 439 S HN 0.648 nan 8.310 nan 0.000 0.480 440 A N 1.130 123.957 122.820 0.011 0.000 2.121 440 A HA 0.285 4.605 4.320 -0.000 0.000 0.218 440 A C 2.217 179.806 177.584 0.008 0.000 1.154 440 A CA 1.232 53.276 52.037 0.010 0.000 0.679 440 A CB -0.681 18.325 19.000 0.010 0.000 0.795 440 A HN 0.487 nan 8.150 nan 0.000 0.458 441 A N -0.326 122.498 122.820 0.007 0.000 1.969 441 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 441 A C 2.257 179.845 177.584 0.006 0.000 1.169 441 A CA 2.323 54.364 52.037 0.006 0.000 0.635 441 A CB -0.647 18.355 19.000 0.005 0.000 0.810 441 A HN 0.732 nan 8.150 nan 0.000 0.445 442 T N -4.394 110.165 114.554 0.007 0.000 2.955 442 T HA 0.195 4.545 4.350 -0.000 0.000 0.251 442 T C 0.161 174.866 174.700 0.008 0.000 1.002 442 T CA 0.405 62.509 62.100 0.007 0.000 0.970 442 T CB -0.008 68.864 68.868 0.006 0.000 1.091 442 T HN 0.228 nan 8.240 nan 0.000 0.495 443 D N 0.799 121.205 120.400 0.010 0.000 2.192 443 D HA 0.508 5.148 4.640 -0.000 0.000 0.246 443 D C 1.024 177.331 176.300 0.012 0.000 1.042 443 D CA -0.397 53.611 54.000 0.013 0.000 0.847 443 D CB 2.221 43.031 40.800 0.017 0.000 1.186 443 D HN -0.016 nan 8.370 nan 0.000 0.461 444 S N 2.739 118.446 115.700 0.011 0.000 2.395 444 S HA -0.083 4.387 4.470 -0.000 0.000 0.225 444 S C 1.373 175.979 174.600 0.010 0.000 1.027 444 S CA 1.079 59.284 58.200 0.009 0.000 0.965 444 S CB -0.234 62.971 63.200 0.007 0.000 0.812 444 S HN 0.585 nan 8.310 nan 0.000 0.482 445 N N 1.166 119.873 118.700 0.012 0.000 2.166 445 N HA -0.037 4.703 4.740 -0.000 0.000 0.186 445 N C 1.933 177.451 175.510 0.014 0.000 1.019 445 N CA 1.084 54.141 53.050 0.012 0.000 0.856 445 N CB -0.260 38.235 38.487 0.014 0.000 0.993 445 N HN 0.453 nan 8.380 nan 0.000 0.426 446 A N 0.718 123.548 122.820 0.017 0.000 1.933 446 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 446 A C 2.175 179.768 177.584 0.015 0.000 1.175 446 A CA 1.319 53.366 52.037 0.018 0.000 0.628 446 A CB -0.494 18.517 19.000 0.019 0.000 0.814 446 A HN 0.193 nan 8.150 nan 0.000 0.444 447 Q N 0.255 120.063 119.800 0.013 0.000 2.079 447 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 447 Q C 1.895 177.902 176.000 0.012 0.000 0.974 447 Q CA 2.134 57.944 55.803 0.011 0.000 0.840 447 Q CB -0.304 28.440 28.738 0.009 0.000 0.898 447 Q HN 0.662 nan 8.270 nan 0.000 0.430 448 K N -0.450 119.957 120.400 0.011 0.000 2.097 448 K HA -0.071 4.249 4.320 -0.000 0.000 0.206 448 K C 2.014 178.622 176.600 0.014 0.000 1.049 448 K CA 1.017 57.311 56.287 0.010 0.000 0.933 448 K CB -0.232 32.272 32.500 0.007 0.000 0.717 448 K HN 0.281 nan 8.250 nan 0.000 0.442 449 A N 1.618 124.448 122.820 0.016 0.000 1.858 449 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 449 A C 2.123 179.721 177.584 0.023 0.000 1.190 449 A CA 1.209 53.259 52.037 0.021 0.000 0.617 449 A CB -0.729 18.284 19.000 0.021 0.000 0.827 449 A HN 0.168 nan 8.150 nan 0.000 0.443 450 L N -0.312 120.923 121.223 0.019 0.000 2.043 450 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 450 L C 2.007 178.888 176.870 0.019 0.000 1.075 450 L CA 1.698 56.549 54.840 0.018 0.000 0.752 450 L CB -0.761 41.306 42.059 0.014 0.000 0.891 450 L HN 0.368 nan 8.230 nan 0.000 0.432 451 D N -0.555 119.856 120.400 0.018 0.000 2.221 451 D HA -0.189 4.451 4.640 -0.000 0.000 0.204 451 D C 2.189 178.503 176.300 0.023 0.000 0.982 451 D CA 0.944 54.955 54.000 0.018 0.000 0.857 451 D CB -0.068 40.741 40.800 0.015 0.000 0.934 451 D HN 0.363 nan 8.370 nan 0.000 0.475 452 Q N -0.263 119.553 119.800 0.027 0.000 2.424 452 Q HA 0.108 4.448 4.340 -0.000 0.000 0.204 452 Q C 2.431 178.453 176.000 0.038 0.000 0.933 452 Q CA -0.061 55.762 55.803 0.033 0.000 0.929 452 Q CB 0.202 28.963 28.738 0.038 0.000 1.037 452 Q HN 0.395 nan 8.270 nan 0.000 0.511 453 L N 0.807 122.052 121.223 0.036 0.000 2.081 453 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 453 L C 2.550 179.445 176.870 0.042 0.000 1.080 453 L CA 1.380 56.244 54.840 0.041 0.000 0.754 453 L CB -0.567 41.513 42.059 0.033 0.000 0.893 453 L HN 0.194 nan 8.230 nan 0.000 0.433 454 K N 0.364 120.785 120.400 0.034 0.000 2.071 454 K HA -0.266 4.054 4.320 -0.000 0.000 0.217 454 K C 1.593 178.215 176.600 0.036 0.000 1.054 454 K CA 2.129 58.435 56.287 0.033 0.000 0.937 454 K CB -0.152 32.365 32.500 0.028 0.000 0.719 454 K HN 0.381 nan 8.250 nan 0.000 0.454 455 N N 0.716 119.438 118.700 0.037 0.000 2.521 455 N HA -0.036 4.704 4.740 -0.000 0.000 0.188 455 N C 1.319 176.853 175.510 0.040 0.000 1.146 455 N CA 0.425 53.497 53.050 0.038 0.000 0.893 455 N CB 0.132 38.642 38.487 0.038 0.000 0.975 455 N HN 0.290 nan 8.380 nan 0.000 0.451 456 L N 0.066 121.317 121.223 0.046 0.000 2.554 456 L HA 0.086 4.426 4.340 -0.000 0.000 0.226 456 L C 1.064 177.960 176.870 0.043 0.000 1.137 456 L CA -0.060 54.810 54.840 0.049 0.000 0.863 456 L CB -0.098 42.004 42.059 0.073 0.000 0.985 456 L HN -0.051 nan 8.230 nan 0.000 0.451 457 R N 0.828 121.354 120.500 0.043 0.000 2.480 457 R HA 0.138 4.477 4.340 -0.000 0.000 0.303 457 R C 1.171 177.489 176.300 0.029 0.000 0.985 457 R CA 1.088 57.212 56.100 0.039 0.000 1.051 457 R CB 0.051 30.374 30.300 0.039 0.000 0.935 457 R HN 0.301 nan 8.270 nan 0.000 0.410 458 G N 2.698 111.512 108.800 0.024 0.000 2.199 458 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.254 458 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.254 458 G C 0.256 175.157 174.900 0.001 0.000 0.982 458 G CA 0.038 45.146 45.100 0.014 0.000 0.632 458 G HN 0.695 nan 8.290 nan 0.000 0.529 459 C N 1.665 120.962 119.300 -0.004 0.000 2.689 459 C HA 0.499 4.959 4.460 -0.000 0.000 0.409 459 C C 0.644 175.601 174.990 -0.054 0.000 1.293 459 C CA -0.581 58.423 59.018 -0.023 0.000 2.136 459 C CB 0.624 28.351 27.740 -0.021 0.000 2.719 459 C HN 0.480 nan 8.230 nan 0.000 0.644 460 D N 0.728 121.092 120.400 -0.061 0.000 2.175 460 D HA 0.551 5.191 4.640 -0.000 0.000 0.248 460 D C -0.723 175.504 176.300 -0.122 0.000 1.047 460 D CA 0.127 54.076 54.000 -0.084 0.000 0.883 460 D CB 1.852 42.617 40.800 -0.058 0.000 1.180 460 D HN 0.237 nan 8.370 nan 0.000 0.438 461 V N 2.122 121.934 119.914 -0.171 0.000 2.789 461 V HA 0.236 4.356 4.120 -0.000 0.000 0.311 461 V C -0.834 175.158 176.094 -0.170 0.000 1.073 461 V CA -0.671 61.496 62.300 -0.222 0.000 0.921 461 V CB 2.283 33.840 31.823 -0.442 0.000 1.009 461 V HN 0.546 nan 8.190 nan 0.000 0.426 462 H N 1.859 120.783 119.070 -0.243 0.000 2.572 462 H HA 0.792 5.348 4.556 -0.000 0.000 0.359 462 H C -0.253 174.946 175.328 -0.215 0.000 1.134 462 H CA 0.055 55.938 56.048 -0.274 0.000 1.187 462 H CB 1.967 31.545 29.762 -0.307 0.000 1.597 462 H HN 0.813 nan 8.280 nan 0.000 0.524 463 T N 0.256 114.373 114.554 -0.728 0.000 2.907 463 T HA 0.239 4.589 4.350 -0.000 0.000 0.292 463 T C 0.837 175.234 174.700 -0.505 0.000 1.043 463 T CA -0.227 61.621 62.100 -0.419 0.000 1.003 463 T CB 1.395 70.104 68.868 -0.265 0.000 1.084 463 T HN 0.648 nan 8.240 nan 0.000 0.483 464 T N -1.825 112.608 114.554 -0.201 0.000 3.107 464 T HA 0.282 4.632 4.350 -0.000 0.000 0.249 464 T C 0.677 175.316 174.700 -0.102 0.000 1.096 464 T CA 0.148 62.187 62.100 -0.101 0.000 1.012 464 T CB -0.071 68.788 68.868 -0.015 0.000 0.977 464 T HN 0.786 nan 8.240 nan 0.000 0.527 465 T N 0.781 115.258 114.554 -0.128 0.000 2.903 465 T HA 0.623 4.973 4.350 -0.000 0.000 0.299 465 T C -0.808 173.813 174.700 -0.132 0.000 1.093 465 T CA -0.937 61.102 62.100 -0.103 0.000 1.002 465 T CB 1.122 69.970 68.868 -0.033 0.000 1.127 465 T HN 0.266 nan 8.240 nan 0.000 0.488 466 I N 4.014 124.483 120.570 -0.167 0.000 2.556 466 I HA 0.214 4.384 4.170 -0.000 0.000 0.284 466 I C 0.380 176.487 176.117 -0.017 0.000 1.114 466 I CA -0.285 60.921 61.300 -0.157 0.000 1.418 466 I CB 0.539 38.333 38.000 -0.345 0.000 1.394 466 I HN 0.428 nan 8.210 nan 0.000 0.552 467 L N 5.303 126.531 121.223 0.008 0.000 2.436 467 L HA 0.370 4.710 4.340 -0.000 0.000 0.265 467 L C 1.104 178.029 176.870 0.091 0.000 1.168 467 L CA -0.346 54.537 54.840 0.070 0.000 0.815 467 L CB 0.452 42.572 42.059 0.100 0.000 1.109 467 L HN 0.686 nan 8.230 nan 0.000 0.462 468 G N -0.045 108.814 108.800 0.099 0.000 2.651 468 G HA2 0.180 4.140 3.960 -0.000 0.000 0.260 468 G HA3 0.180 4.140 3.960 -0.000 0.000 0.260 468 G C 0.970 175.894 174.900 0.040 0.000 1.216 468 G CA 0.139 45.282 45.100 0.072 0.000 0.913 468 G HN 0.783 nan 8.290 nan 0.000 0.535 469 S N -0.936 114.772 115.700 0.014 0.000 2.382 469 S HA -0.159 4.311 4.470 -0.000 0.000 0.228 469 S C 2.265 176.853 174.600 -0.019 0.000 1.027 469 S CA 1.358 59.560 58.200 0.003 0.000 0.991 469 S CB -0.443 62.753 63.200 -0.005 0.000 0.823 469 S HN 0.277 nan 8.310 nan 0.000 0.469 470 V N 2.992 122.872 119.914 -0.056 0.000 2.261 470 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 470 V C 2.535 178.579 176.094 -0.084 0.000 1.047 470 V CA 2.349 64.597 62.300 -0.087 0.000 1.015 470 V CB -0.915 30.811 31.823 -0.161 0.000 0.642 470 V HN 0.413 nan 8.190 nan 0.000 0.446 471 D N -0.555 119.808 120.400 -0.063 0.000 2.144 471 D HA -0.173 4.466 4.640 -0.000 0.000 0.199 471 D C 2.194 178.452 176.300 -0.070 0.000 0.984 471 D CA 1.343 55.274 54.000 -0.116 0.000 0.834 471 D CB -0.162 40.633 40.800 -0.008 0.000 0.955 471 D HN 0.557 nan 8.370 nan 0.000 0.465 472 E N -0.007 120.224 120.200 0.051 0.000 2.110 472 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 472 E C 2.103 178.748 176.600 0.076 0.000 0.988 472 E CA 1.069 57.540 56.400 0.118 0.000 0.804 472 E CB -0.167 29.585 29.700 0.087 0.000 0.745 472 E HN 0.268 nan 8.360 nan 0.000 0.458 473 G N 0.804 109.611 108.800 0.012 0.000 2.421 473 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 473 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 473 G C 1.454 176.343 174.900 -0.018 0.000 1.171 473 G CA 0.819 45.918 45.100 -0.001 0.000 0.775 473 G HN 0.169 nan 8.290 nan 0.000 0.543 474 I N 0.181 120.695 120.570 -0.093 0.000 2.226 474 I HA -0.022 4.148 4.170 -0.000 0.000 0.245 474 I C 2.375 178.439 176.117 -0.088 0.000 1.100 474 I CA 0.667 61.879 61.300 -0.146 0.000 1.374 474 I CB -0.446 37.394 38.000 -0.267 0.000 1.057 474 I HN 0.065 nan 8.210 nan 0.000 0.413 475 F N 0.408 120.360 119.950 0.004 0.000 2.171 475 F HA -0.121 4.405 4.527 -0.000 0.000 0.300 475 F C 2.616 178.418 175.800 0.003 0.000 1.090 475 F CA 1.119 59.120 58.000 0.001 0.000 1.293 475 F CB -0.862 38.134 39.000 -0.006 0.000 1.013 475 F HN -0.025 nan 8.300 nan 0.000 0.486 476 R N 0.231 120.838 120.500 0.178 0.000 2.073 476 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 476 R C 2.021 178.368 176.300 0.078 0.000 1.134 476 R CA 1.467 57.629 56.100 0.104 0.000 0.952 476 R CB -0.397 29.945 30.300 0.071 0.000 0.850 476 R HN 0.258 nan 8.270 nan 0.000 0.433 477 N N 0.736 119.471 118.700 0.059 0.000 2.166 477 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 477 N C 1.686 177.227 175.510 0.053 0.000 1.019 477 N CA 1.143 54.217 53.050 0.041 0.000 0.856 477 N CB -0.146 38.352 38.487 0.017 0.000 0.993 477 N HN 0.221 nan 8.380 nan 0.000 0.426 478 L N -0.278 120.992 121.223 0.078 0.000 2.599 478 L HA 0.150 4.490 4.340 -0.000 0.000 0.230 478 L C 1.024 177.945 176.870 0.086 0.000 1.141 478 L CA 0.210 55.102 54.840 0.087 0.000 0.877 478 L CB -0.311 41.822 42.059 0.124 0.000 1.009 478 L HN 0.208 nan 8.230 nan 0.000 0.447 479 G N 0.419 109.269 108.800 0.084 0.000 2.160 479 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 479 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 479 G C 0.044 174.976 174.900 0.054 0.000 1.022 479 G CA 0.044 45.181 45.100 0.063 0.000 0.741 479 G HN 0.105 nan 8.290 nan 0.000 0.508 480 V N 1.021 120.978 119.914 0.073 0.000 2.465 480 V HA 0.488 4.608 4.120 -0.000 0.000 0.279 480 V C 0.992 177.062 176.094 -0.039 0.000 1.045 480 V CA -0.513 61.794 62.300 0.011 0.000 0.938 480 V CB 1.634 33.467 31.823 0.018 0.000 0.986 480 V HN 0.313 nan 8.190 nan 0.000 0.467 481 L N 5.997 127.177 121.223 -0.072 0.000 2.302 481 L HA 0.402 4.742 4.340 -0.000 0.000 0.285 481 L C -0.400 176.393 176.870 -0.128 0.000 1.090 481 L CA -0.270 54.528 54.840 -0.070 0.000 0.866 481 L CB 0.894 42.927 42.059 -0.043 0.000 1.244 481 L HN 0.363 nan 8.230 nan 0.000 0.435 482 V N 2.137 121.965 119.914 -0.143 0.000 2.439 482 V HA 0.497 4.617 4.120 -0.000 0.000 0.282 482 V C 0.565 176.575 176.094 -0.139 0.000 1.039 482 V CA -0.392 61.782 62.300 -0.209 0.000 0.913 482 V CB 1.738 33.416 31.823 -0.243 0.000 0.983 482 V HN 0.826 nan 8.190 nan 0.000 0.460 483 T N 1.293 115.740 114.554 -0.179 0.000 2.930 483 T HA 0.821 5.171 4.350 -0.000 0.000 0.290 483 T C -0.428 174.001 174.700 -0.451 0.000 1.052 483 T CA -0.790 61.198 62.100 -0.186 0.000 1.017 483 T CB 1.979 70.765 68.868 -0.138 0.000 1.137 483 T HN 0.537 nan 8.240 nan 0.000 0.511 484 S N 0.497 115.929 115.700 -0.447 0.000 2.533 484 S HA 0.432 4.902 4.470 -0.000 0.000 0.271 484 S C -1.576 172.882 174.600 -0.237 0.000 1.143 484 S CA -0.950 56.917 58.200 -0.554 0.000 0.891 484 S CB 1.552 64.571 63.200 -0.302 0.000 1.105 484 S HN 0.787 nan 8.310 nan 0.000 0.468 485 D N 3.711 123.987 120.400 -0.207 0.000 2.424 485 D HA 0.190 4.830 4.640 -0.000 0.000 0.244 485 D C -2.006 174.267 176.300 -0.045 0.000 1.134 485 D CA -1.140 52.902 54.000 0.071 0.000 0.881 485 D CB 0.679 41.542 40.800 0.105 0.000 1.191 485 D HN 0.166 nan 8.370 nan 0.000 0.445 486 P HA 0.091 nan 4.420 nan 0.000 0.231 486 P C -0.725 176.459 177.300 -0.193 0.000 1.756 486 P CA 0.092 63.108 63.100 -0.139 0.000 0.990 486 P CB -0.078 31.564 31.700 -0.096 0.000 1.973 487 K N 0.884 121.136 120.400 -0.248 0.000 2.469 487 K HA 0.536 4.856 4.320 -0.000 0.000 0.254 487 K C -0.396 176.011 176.600 -0.321 0.000 0.939 487 K CA -0.726 55.435 56.287 -0.209 0.000 0.812 487 K CB 1.704 34.166 32.500 -0.062 0.000 1.301 487 K HN -0.049 nan 8.250 nan 0.000 0.433 488 F N 1.194 121.147 119.950 0.005 0.000 2.380 488 F HA 0.289 4.816 4.527 -0.000 0.000 0.319 488 F C 1.237 177.040 175.800 0.006 0.000 1.113 488 F CA -0.510 57.493 58.000 0.005 0.000 1.056 488 F CB 0.887 39.891 39.000 0.006 0.000 1.289 488 F HN 0.321 nan 8.300 nan 0.000 0.515 489 Q N 0.000 119.936 119.800 0.226 0.000 2.315 489 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 489 Q CA 0.000 55.877 55.803 0.123 0.000 1.022 489 Q CB 0.000 28.796 28.738 0.096 0.000 1.108 489 Q HN 0.000 nan 8.270 nan 0.000 0.481