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 3glf_1_I DATA FIRST_RESID 2 DATA SEQUENCE SYQVLARKWR PQTFADVVGQ EHVLTALANG LSLGRIHHAY LFSGTRGVGK DATA SEQUENCE TSIARLLAKG LNCETGITAT PCGVCDNCRE IEQGRFVDLI EIDAASRTKV DATA SEQUENCE EDTRDLLDNV QYAPARGRFK VYLIDEVHML SRHSFNALLK TLEEPPEHVK DATA SEQUENCE FLLATTDPQK LPVTILSRCL QFHLKALDVE QIRHQLEHIL NEEHIAHEPR DATA SEQUENCE ALQLLARAAE GSLRDALSLT DQAIASGDGQ VSTQAVSAML GTLDDDQALS DATA SEQUENCE LVEAMVEANG ERVMALINEA AARGIEWEAL LVEMLGLLHR IAMVQLSPAA DATA SEQUENCE LGNDMAAIEL RMRELARTIP PTDIQLYYQT LLIGRKELPY APDRRMGVEM DATA SEQUENCE TLLRALAFHP RM 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.638 174.600 0.064 0.000 1.055 2 S CA 0.000 58.227 58.200 0.045 0.000 1.107 2 S CB 0.000 63.208 63.200 0.014 0.000 0.593 3 Y N 3.343 123.642 120.300 -0.002 0.000 2.480 3 Y HA 0.531 5.080 4.550 -0.002 0.000 0.338 3 Y C 0.233 176.136 175.900 0.004 0.000 1.220 3 Y CA 0.748 58.850 58.100 0.003 0.000 1.430 3 Y CB 0.527 38.993 38.460 0.010 0.000 1.311 3 Y HN 0.457 nan 8.280 nan 0.000 0.575 4 Q N 3.615 122.718 119.800 -1.162 0.000 2.377 4 Q HA 0.414 4.753 4.340 -0.002 0.000 0.279 4 Q C -1.183 174.184 176.000 -1.056 0.000 1.049 4 Q CA -1.240 54.051 55.803 -0.853 0.000 0.825 4 Q CB 2.452 30.960 28.738 -0.383 0.000 1.401 4 Q HN 0.532 nan 8.270 nan 0.000 0.404 5 V N 2.389 122.013 119.914 -0.484 0.000 3.061 5 V HA -0.159 3.960 4.120 -0.002 0.000 0.306 5 V C 1.440 177.498 176.094 -0.060 0.000 1.118 5 V CA 0.469 62.684 62.300 -0.141 0.000 1.231 5 V CB -0.077 31.735 31.823 -0.017 0.000 0.956 5 V HN 0.686 nan 8.190 nan 0.000 0.499 6 L N 3.645 124.925 121.223 0.094 0.000 2.017 6 L HA -0.124 4.215 4.340 -0.002 0.000 0.208 6 L C 2.596 179.582 176.870 0.193 0.000 1.073 6 L CA 2.342 57.324 54.840 0.236 0.000 0.745 6 L CB -1.524 40.658 42.059 0.205 0.000 0.894 6 L HN 0.845 nan 8.230 nan 0.000 0.432 7 A N -0.872 122.006 122.820 0.098 0.000 2.082 7 A HA -0.331 3.988 4.320 -0.002 0.000 0.224 7 A C 2.568 180.187 177.584 0.057 0.000 1.179 7 A CA 2.601 54.678 52.037 0.065 0.000 0.670 7 A CB -0.595 18.427 19.000 0.035 0.000 0.817 7 A HN 0.472 nan 8.150 nan 0.000 0.475 8 R N -1.620 118.899 120.500 0.032 0.000 2.167 8 R HA 0.131 4.470 4.340 -0.002 0.000 0.195 8 R C 2.211 178.489 176.300 -0.036 0.000 1.027 8 R CA 0.669 56.761 56.100 -0.014 0.000 1.114 8 R CB -0.153 30.113 30.300 -0.057 0.000 1.075 8 R HN 0.453 nan 8.270 nan 0.000 0.538 9 K N -0.324 120.038 120.400 -0.065 0.000 2.074 9 K HA -0.170 4.149 4.320 -0.002 0.000 0.209 9 K C 0.506 176.968 176.600 -0.229 0.000 1.048 9 K CA 1.665 57.845 56.287 -0.178 0.000 0.926 9 K CB -0.073 32.293 32.500 -0.223 0.000 0.713 9 K HN 0.232 nan 8.250 nan 0.000 0.444 10 W N 2.064 123.342 121.300 -0.037 0.000 3.305 10 W HA 0.203 4.862 4.660 -0.002 0.000 0.392 10 W C 0.027 176.531 176.519 -0.025 0.000 1.121 10 W CA -0.771 56.563 57.345 -0.019 0.000 1.909 10 W CB 0.256 29.711 29.460 -0.008 0.000 1.065 10 W HN -0.009 nan 8.180 nan 0.000 0.714 11 R N 2.291 122.845 120.500 0.090 0.000 2.522 11 R HA 0.083 4.422 4.340 -0.002 0.000 0.284 11 R C -2.282 174.038 176.300 0.033 0.000 1.032 11 R CA -1.337 54.790 56.100 0.045 0.000 1.049 11 R CB 0.303 30.602 30.300 -0.002 0.000 0.956 11 R HN -0.163 nan 8.270 nan 0.000 0.422 12 P HA 0.004 nan 4.420 nan 0.000 0.267 12 P C -0.572 176.733 177.300 0.008 0.000 1.205 12 P CA 0.059 63.175 63.100 0.027 0.000 0.765 12 P CB 0.965 32.661 31.700 -0.007 0.000 0.828 13 Q N 0.412 120.221 119.800 0.014 0.000 2.214 13 Q HA 0.133 4.472 4.340 -0.002 0.000 0.229 13 Q C 0.282 176.291 176.000 0.016 0.000 0.835 13 Q CA 0.642 56.444 55.803 -0.002 0.000 0.953 13 Q CB 0.719 29.440 28.738 -0.028 0.000 1.131 13 Q HN 0.573 nan 8.270 nan 0.000 0.501 14 T N -4.172 110.411 114.554 0.048 0.000 2.903 14 T HA 0.476 4.825 4.350 -0.002 0.000 0.299 14 T C 0.724 175.532 174.700 0.180 0.000 1.093 14 T CA -0.707 61.441 62.100 0.080 0.000 1.002 14 T CB 0.504 69.396 68.868 0.040 0.000 1.127 14 T HN -0.068 nan 8.240 nan 0.000 0.488 15 F N 1.046 120.957 119.950 -0.065 0.000 2.087 15 F HA -0.139 4.387 4.527 -0.002 0.000 0.299 15 F C 3.079 178.843 175.800 -0.060 0.000 1.100 15 F CA 1.198 59.153 58.000 -0.074 0.000 1.226 15 F CB -0.438 38.516 39.000 -0.076 0.000 0.983 15 F HN 0.831 nan 8.300 nan 0.000 0.479 16 A N -0.406 122.504 122.820 0.150 0.000 2.023 16 A HA -0.297 4.022 4.320 -0.002 0.000 0.223 16 A C 1.492 179.089 177.584 0.021 0.000 1.180 16 A CA 2.407 54.481 52.037 0.062 0.000 0.659 16 A CB -0.720 18.309 19.000 0.048 0.000 0.817 16 A HN 0.347 nan 8.150 nan 0.000 0.466 17 D N -1.138 119.277 120.400 0.026 0.000 2.339 17 D HA 0.212 4.851 4.640 -0.002 0.000 0.217 17 D C -0.063 176.228 176.300 -0.015 0.000 1.050 17 D CA 0.090 54.097 54.000 0.012 0.000 0.856 17 D CB 0.217 41.047 40.800 0.050 0.000 0.922 17 D HN 0.171 nan 8.370 nan 0.000 0.518 18 V N 1.319 121.204 119.914 -0.048 0.000 2.498 18 V HA 0.128 4.247 4.120 -0.002 0.000 0.279 18 V C 0.556 176.596 176.094 -0.089 0.000 1.048 18 V CA -0.657 61.587 62.300 -0.093 0.000 0.967 18 V CB 2.046 33.760 31.823 -0.182 0.000 0.988 18 V HN -0.206 nan 8.190 nan 0.000 0.473 19 V N 5.859 125.725 119.914 -0.080 0.000 2.432 19 V HA 0.626 4.745 4.120 -0.002 0.000 0.271 19 V C 1.064 177.111 176.094 -0.078 0.000 1.046 19 V CA 1.043 63.305 62.300 -0.065 0.000 0.945 19 V CB 0.208 32.002 31.823 -0.049 0.000 0.992 19 V HN 1.310 nan 8.190 nan 0.000 0.471 20 G N 4.467 113.225 108.800 -0.069 0.000 2.575 20 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.267 20 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.267 20 G C 0.118 174.950 174.900 -0.114 0.000 1.264 20 G CA 0.157 45.218 45.100 -0.065 0.000 0.935 20 G HN 0.993 nan 8.290 nan 0.000 0.568 21 Q N -1.392 118.344 119.800 -0.106 0.000 2.468 21 Q HA -0.229 4.110 4.340 -0.002 0.000 0.256 21 Q C 1.397 177.198 176.000 -0.333 0.000 0.984 21 Q CA 2.135 57.785 55.803 -0.255 0.000 1.110 21 Q CB -1.960 26.602 28.738 -0.294 0.000 1.527 21 Q HN 1.006 nan 8.270 nan 0.000 0.535 22 E N -0.041 120.077 120.200 -0.137 0.000 2.273 22 E HA -0.227 4.122 4.350 -0.002 0.000 0.198 22 E C 1.757 178.309 176.600 -0.080 0.000 1.002 22 E CA 1.446 57.788 56.400 -0.097 0.000 0.828 22 E CB -0.275 29.413 29.700 -0.021 0.000 0.747 22 E HN 0.794 nan 8.360 nan 0.000 0.491 23 H N -0.641 118.407 119.070 -0.036 0.000 2.436 23 H HA 0.044 4.599 4.556 -0.002 0.000 0.294 23 H C 2.054 177.361 175.328 -0.035 0.000 1.048 23 H CA 0.915 56.959 56.048 -0.006 0.000 1.353 23 H CB -0.424 29.358 29.762 0.034 0.000 1.414 23 H HN 0.036 nan 8.280 nan 0.000 0.536 24 V N 2.010 121.569 119.914 -0.592 0.000 2.323 24 V HA -0.184 3.935 4.120 -0.002 0.000 0.244 24 V C 3.120 178.946 176.094 -0.446 0.000 1.041 24 V CA 1.115 63.099 62.300 -0.526 0.000 1.025 24 V CB -0.623 30.886 31.823 -0.523 0.000 0.656 24 V HN 0.231 nan 8.190 nan 0.000 0.451 25 L N -0.125 120.864 121.223 -0.391 0.000 2.043 25 L HA -0.230 4.109 4.340 -0.002 0.000 0.212 25 L C 2.654 179.445 176.870 -0.131 0.000 1.075 25 L CA 2.140 56.778 54.840 -0.338 0.000 0.752 25 L CB -1.211 40.641 42.059 -0.345 0.000 0.891 25 L HN 0.377 nan 8.230 nan 0.000 0.432 26 T N -0.018 114.480 114.554 -0.093 0.000 2.652 26 T HA -0.200 4.149 4.350 -0.002 0.000 0.267 26 T C 1.989 176.700 174.700 0.020 0.000 1.039 26 T CA 1.566 63.662 62.100 -0.007 0.000 1.153 26 T CB -0.240 68.638 68.868 0.017 0.000 0.863 26 T HN 0.476 nan 8.240 nan 0.000 0.428 27 A N 0.894 123.714 122.820 0.001 0.000 1.902 27 A HA 0.028 4.347 4.320 -0.002 0.000 0.217 27 A C 2.327 179.959 177.584 0.080 0.000 1.181 27 A CA 1.121 53.204 52.037 0.076 0.000 0.623 27 A CB -0.817 18.286 19.000 0.172 0.000 0.818 27 A HN 0.452 nan 8.150 nan 0.000 0.443 28 L N -0.805 120.399 121.223 -0.032 0.000 1.955 28 L HA -0.231 4.108 4.340 -0.002 0.000 0.213 28 L C 3.155 180.106 176.870 0.134 0.000 1.072 28 L CA 1.373 56.251 54.840 0.065 0.000 0.755 28 L CB -0.697 41.373 42.059 0.018 0.000 0.888 28 L HN 0.439 nan 8.230 nan 0.000 0.432 29 A N -0.258 122.662 122.820 0.167 0.000 1.986 29 A HA -0.270 4.049 4.320 -0.002 0.000 0.220 29 A C 1.980 179.614 177.584 0.083 0.000 1.171 29 A CA 2.344 54.460 52.037 0.132 0.000 0.640 29 A CB -0.710 18.382 19.000 0.153 0.000 0.811 29 A HN 0.478 nan 8.150 nan 0.000 0.451 30 N N -0.382 118.371 118.700 0.088 0.000 2.171 30 N HA -0.024 4.715 4.740 -0.002 0.000 0.184 30 N C 1.786 177.350 175.510 0.089 0.000 1.021 30 N CA 1.501 54.599 53.050 0.080 0.000 0.854 30 N CB -0.492 38.043 38.487 0.081 0.000 0.994 30 N HN 0.382 nan 8.380 nan 0.000 0.426 31 G N 0.245 109.117 108.800 0.120 0.000 2.408 31 G HA2 -0.090 3.869 3.960 -0.002 0.000 0.215 31 G HA3 -0.090 3.869 3.960 -0.002 0.000 0.215 31 G C 1.529 176.498 174.900 0.115 0.000 1.156 31 G CA 0.262 45.443 45.100 0.134 0.000 0.793 31 G HN 0.227 nan 8.290 nan 0.000 0.535 32 L N 0.906 122.188 121.223 0.098 0.000 2.042 32 L HA -0.128 4.211 4.340 -0.002 0.000 0.210 32 L C 3.154 180.053 176.870 0.048 0.000 1.076 32 L CA 1.341 56.216 54.840 0.058 0.000 0.749 32 L CB -0.381 41.684 42.059 0.010 0.000 0.893 32 L HN 0.173 nan 8.230 nan 0.000 0.432 33 S N -0.017 115.709 115.700 0.044 0.000 2.329 33 S HA -0.050 4.419 4.470 -0.002 0.000 0.215 33 S C 1.896 176.524 174.600 0.046 0.000 1.031 33 S CA 0.914 59.137 58.200 0.037 0.000 0.985 33 S CB -0.388 62.830 63.200 0.029 0.000 0.917 33 S HN 0.264 nan 8.310 nan 0.000 0.441 34 L N 1.163 122.418 121.223 0.054 0.000 2.357 34 L HA -0.097 4.242 4.340 -0.002 0.000 0.220 34 L C 1.839 178.744 176.870 0.058 0.000 1.123 34 L CA 0.924 55.797 54.840 0.054 0.000 0.782 34 L CB -1.028 41.066 42.059 0.059 0.000 0.910 34 L HN 0.610 nan 8.230 nan 0.000 0.442 35 G N -0.786 108.055 108.800 0.068 0.000 2.141 35 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.242 35 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.242 35 G C 0.499 175.450 174.900 0.085 0.000 0.982 35 G CA -0.264 44.882 45.100 0.076 0.000 0.662 35 G HN 0.243 nan 8.290 nan 0.000 0.527 36 R N 0.565 121.120 120.500 0.091 0.000 4.394 36 R HA 0.292 4.631 4.340 -0.002 0.000 0.257 36 R C 0.816 177.194 176.300 0.130 0.000 1.727 36 R CA -0.181 55.976 56.100 0.095 0.000 1.497 36 R CB -0.444 29.912 30.300 0.092 0.000 1.406 36 R HN 0.495 nan 8.270 nan 0.000 0.745 37 I N 1.128 121.778 120.570 0.133 0.000 2.396 37 I HA 0.041 4.210 4.170 -0.002 0.000 0.289 37 I C 1.062 177.270 176.117 0.152 0.000 1.056 37 I CA -0.308 61.103 61.300 0.186 0.000 1.365 37 I CB 0.376 38.451 38.000 0.125 0.000 1.407 37 I HN 0.216 nan 8.210 nan 0.000 0.509 38 H N 6.134 125.245 119.070 0.069 0.000 2.408 38 H HA 0.173 4.728 4.556 -0.002 0.000 0.345 38 H C 1.206 176.507 175.328 -0.045 0.000 1.547 38 H CA 0.075 55.998 56.048 -0.208 0.000 1.447 38 H CB 0.790 30.162 29.762 -0.650 0.000 1.686 38 H HN 0.605 nan 8.280 nan 0.000 0.625 39 H N -0.728 118.328 119.070 -0.023 0.000 2.740 39 H HA 0.433 4.988 4.556 -0.002 0.000 0.265 39 H C -0.610 174.919 175.328 0.335 0.000 0.978 39 H CA 0.300 56.430 56.048 0.136 0.000 1.198 39 H CB 0.609 30.385 29.762 0.023 0.000 1.467 39 H HN 0.380 nan 8.280 nan 0.000 0.511 40 A N 1.237 124.331 122.820 0.456 0.000 2.569 40 A HA 0.441 4.760 4.320 -0.002 0.000 0.282 40 A C -1.898 175.687 177.584 0.001 0.000 1.165 40 A CA -0.594 51.657 52.037 0.358 0.000 0.747 40 A CB 0.393 19.613 19.000 0.366 0.000 1.215 40 A HN 0.203 nan 8.150 nan 0.000 0.431 41 Y N 1.254 121.555 120.300 0.002 0.000 2.310 41 Y HA 0.572 5.121 4.550 -0.002 0.000 0.326 41 Y C 0.087 175.820 175.900 -0.278 0.000 1.151 41 Y CA -0.773 57.185 58.100 -0.236 0.000 1.195 41 Y CB 1.733 40.057 38.460 -0.226 0.000 1.210 41 Y HN 0.619 nan 8.280 nan 0.000 0.483 42 L N 4.341 125.394 121.223 -0.285 0.000 2.325 42 L HA 0.622 4.961 4.340 -0.002 0.000 0.281 42 L C -1.915 174.821 176.870 -0.224 0.000 1.004 42 L CA -0.791 53.953 54.840 -0.160 0.000 0.823 42 L CB 0.235 42.236 42.059 -0.098 0.000 1.236 42 L HN 0.338 nan 8.230 nan 0.000 0.415 43 F N 3.686 123.748 119.950 0.186 0.000 2.411 43 F HA 0.718 5.244 4.527 -0.002 0.000 0.352 43 F C 0.591 176.478 175.800 0.146 0.000 1.123 43 F CA -0.136 57.977 58.000 0.188 0.000 1.044 43 F CB 1.797 40.885 39.000 0.147 0.000 1.135 43 F HN 0.648 nan 8.300 nan 0.000 0.461 44 S N 1.345 117.234 115.700 0.315 0.000 2.667 44 S HA 1.024 5.493 4.470 -0.002 0.000 0.292 44 S C -0.341 174.328 174.600 0.115 0.000 1.126 44 S CA -0.598 57.752 58.200 0.249 0.000 0.881 44 S CB 2.013 65.388 63.200 0.292 0.000 1.132 44 S HN 1.347 nan 8.310 nan 0.000 0.492 45 G N 0.481 109.328 108.800 0.078 0.000 2.326 45 G HA2 0.366 4.325 3.960 -0.002 0.000 0.413 45 G HA3 0.366 4.325 3.960 -0.002 0.000 0.413 45 G C -0.480 174.427 174.900 0.012 0.000 1.444 45 G CA -0.398 44.653 45.100 -0.081 0.000 1.002 45 G HN 1.298 nan 8.290 nan 0.000 0.649 46 T N -0.159 114.397 114.554 0.004 0.000 2.734 46 T HA 0.455 4.804 4.350 -0.002 0.000 0.314 46 T C 1.141 175.854 174.700 0.021 0.000 1.057 46 T CA 0.086 62.202 62.100 0.027 0.000 1.047 46 T CB 0.479 69.362 68.868 0.026 0.000 0.991 46 T HN 1.253 nan 8.240 nan 0.000 0.540 47 R N 0.582 121.099 120.500 0.029 0.000 2.486 47 R HA 0.142 4.481 4.340 -0.002 0.000 0.304 47 R C 0.794 177.103 176.300 0.014 0.000 0.913 47 R CA 0.760 56.878 56.100 0.029 0.000 1.124 47 R CB -1.479 28.839 30.300 0.030 0.000 0.891 47 R HN 1.492 nan 8.270 nan 0.000 0.410 48 G N 2.167 110.973 108.800 0.010 0.000 2.256 48 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.272 48 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.272 48 G C 0.020 174.910 174.900 -0.016 0.000 1.076 48 G CA -0.017 45.082 45.100 -0.001 0.000 0.882 48 G HN 0.552 nan 8.290 nan 0.000 0.497 49 V N -0.688 119.210 119.914 -0.027 0.000 3.253 49 V HA 0.583 4.702 4.120 -0.002 0.000 0.320 49 V C 1.790 177.841 176.094 -0.071 0.000 1.442 49 V CA 0.712 62.986 62.300 -0.044 0.000 1.097 49 V CB 0.205 32.002 31.823 -0.043 0.000 1.008 49 V HN 2.043 nan 8.190 nan 0.000 0.463 50 G N 0.957 109.714 108.800 -0.072 0.000 2.131 50 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.201 50 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.201 50 G C 0.785 175.591 174.900 -0.157 0.000 1.000 50 G CA 0.496 45.528 45.100 -0.113 0.000 0.680 50 G HN 0.420 nan 8.290 nan 0.000 0.514 51 K N -0.418 119.920 120.400 -0.103 0.000 2.002 51 K HA -0.057 4.262 4.320 -0.002 0.000 0.209 51 K C 2.841 179.337 176.600 -0.174 0.000 1.048 51 K CA 2.044 58.271 56.287 -0.101 0.000 0.930 51 K CB -0.194 32.322 32.500 0.028 0.000 0.714 51 K HN 0.527 nan 8.250 nan 0.000 0.438 52 T N -2.008 112.491 114.554 -0.093 0.000 3.057 52 T HA 0.086 4.435 4.350 -0.002 0.000 0.254 52 T C 1.877 176.508 174.700 -0.114 0.000 1.094 52 T CA 0.713 62.765 62.100 -0.080 0.000 1.088 52 T CB 0.196 69.058 68.868 -0.010 0.000 0.934 52 T HN -0.076 nan 8.240 nan 0.000 0.497 53 S N 1.035 116.659 115.700 -0.126 0.000 2.383 53 S HA 0.182 4.651 4.470 -0.002 0.000 0.227 53 S C 1.808 176.298 174.600 -0.185 0.000 1.026 53 S CA 0.936 59.062 58.200 -0.123 0.000 0.981 53 S CB -0.324 62.815 63.200 -0.102 0.000 0.818 53 S HN 0.513 nan 8.310 nan 0.000 0.472 54 I N 1.264 121.651 120.570 -0.306 0.000 2.500 54 I HA -0.111 4.058 4.170 -0.002 0.000 0.252 54 I C 2.585 178.410 176.117 -0.488 0.000 1.142 54 I CA 0.714 61.747 61.300 -0.445 0.000 1.451 54 I CB -0.505 37.116 38.000 -0.631 0.000 1.093 54 I HN 0.249 nan 8.210 nan 0.000 0.430 55 A N 1.372 123.882 122.820 -0.517 0.000 1.851 55 A HA -0.216 4.103 4.320 -0.002 0.000 0.216 55 A C 2.373 179.883 177.584 -0.124 0.000 1.195 55 A CA 1.419 53.285 52.037 -0.285 0.000 0.622 55 A CB -0.629 18.316 19.000 -0.091 0.000 0.831 55 A HN 0.278 nan 8.150 nan 0.000 0.444 56 R N -0.578 119.861 120.500 -0.102 0.000 2.117 56 R HA -0.134 4.205 4.340 -0.002 0.000 0.243 56 R C 2.056 178.320 176.300 -0.059 0.000 1.143 56 R CA 1.501 57.560 56.100 -0.069 0.000 0.968 56 R CB -0.687 29.578 30.300 -0.057 0.000 0.863 56 R HN 0.549 nan 8.270 nan 0.000 0.444 57 L N 0.315 121.518 121.223 -0.034 0.000 2.109 57 L HA -0.153 4.186 4.340 -0.002 0.000 0.207 57 L C 2.430 179.372 176.870 0.121 0.000 1.086 57 L CA 0.446 55.340 54.840 0.089 0.000 0.760 57 L CB -0.352 41.860 42.059 0.255 0.000 0.910 57 L HN 0.154 nan 8.230 nan 0.000 0.437 58 L N 0.302 121.576 121.223 0.084 0.000 2.056 58 L HA -0.111 4.228 4.340 -0.002 0.000 0.207 58 L C 2.652 179.479 176.870 -0.072 0.000 1.078 58 L CA 1.981 56.842 54.840 0.035 0.000 0.749 58 L CB -0.816 41.224 42.059 -0.031 0.000 0.901 58 L HN 0.127 nan 8.230 nan 0.000 0.433 59 A N -0.243 122.530 122.820 -0.078 0.000 1.903 59 A HA -0.326 3.993 4.320 -0.002 0.000 0.219 59 A C 2.343 179.830 177.584 -0.162 0.000 1.191 59 A CA 2.427 54.396 52.037 -0.113 0.000 0.638 59 A CB -0.666 18.270 19.000 -0.107 0.000 0.823 59 A HN 0.542 nan 8.150 nan 0.000 0.451 60 K N -1.053 119.249 120.400 -0.164 0.000 2.020 60 K HA -0.132 4.187 4.320 -0.002 0.000 0.212 60 K C 2.122 178.620 176.600 -0.170 0.000 1.050 60 K CA 1.412 57.586 56.287 -0.189 0.000 0.929 60 K CB -0.651 31.759 32.500 -0.150 0.000 0.714 60 K HN 0.485 nan 8.250 nan 0.000 0.443 61 G N 0.805 109.492 108.800 -0.188 0.000 2.462 61 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.220 61 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.220 61 G C 1.417 176.250 174.900 -0.112 0.000 1.121 61 G CA 0.771 45.745 45.100 -0.211 0.000 0.758 61 G HN 0.103 nan 8.290 nan 0.000 0.559 62 L N -0.100 121.074 121.223 -0.082 0.000 2.095 62 L HA 0.096 4.435 4.340 -0.002 0.000 0.204 62 L C 2.174 179.126 176.870 0.137 0.000 1.080 62 L CA 0.717 55.571 54.840 0.022 0.000 0.759 62 L CB -0.137 41.883 42.059 -0.064 0.000 0.914 62 L HN 0.053 nan 8.230 nan 0.000 0.439 63 N N -1.097 117.621 118.700 0.030 0.000 2.336 63 N HA 0.004 4.743 4.740 -0.002 0.000 0.189 63 N C 0.250 175.766 175.510 0.010 0.000 1.113 63 N CA -0.041 53.036 53.050 0.045 0.000 0.858 63 N CB -0.189 38.246 38.487 -0.086 0.000 0.970 63 N HN 0.201 nan 8.380 nan 0.000 0.471 64 C N 1.530 120.812 119.300 -0.030 0.000 2.563 64 C HA -0.005 4.454 4.460 -0.002 0.000 0.411 64 C C 1.952 176.943 174.990 0.000 0.000 1.386 64 C CA -0.181 58.817 59.018 -0.034 0.000 1.703 64 C CB -0.282 27.422 27.740 -0.060 0.000 2.596 64 C HN 0.481 nan 8.230 nan 0.000 0.605 65 E N 1.395 121.601 120.200 0.009 0.000 2.401 65 E HA -0.155 4.194 4.350 -0.002 0.000 0.199 65 E C 2.024 178.627 176.600 0.004 0.000 1.023 65 E CA 1.653 58.064 56.400 0.018 0.000 0.859 65 E CB 0.187 29.902 29.700 0.025 0.000 0.780 65 E HN 1.004 nan 8.360 nan 0.000 0.523 66 T N -2.772 111.778 114.554 -0.007 0.000 3.043 66 T HA 0.228 4.577 4.350 -0.002 0.000 0.263 66 T C 0.794 175.489 174.700 -0.008 0.000 1.094 66 T CA 0.454 62.547 62.100 -0.011 0.000 1.127 66 T CB 0.668 69.523 68.868 -0.021 0.000 0.905 66 T HN 0.190 nan 8.240 nan 0.000 0.490 67 G N 0.610 109.408 108.800 -0.004 0.000 2.347 67 G HA2 0.246 4.205 3.960 -0.002 0.000 0.321 67 G HA3 0.246 4.205 3.960 -0.002 0.000 0.321 67 G C -1.211 173.695 174.900 0.011 0.000 1.412 67 G CA -0.886 44.217 45.100 0.005 0.000 0.990 67 G HN 0.435 nan 8.290 nan 0.000 0.637 68 I N 1.454 122.045 120.570 0.036 0.000 2.581 68 I HA 0.356 4.525 4.170 -0.002 0.000 0.285 68 I C 0.968 177.083 176.117 -0.004 0.000 1.129 68 I CA 0.346 61.675 61.300 0.048 0.000 1.397 68 I CB 0.763 38.828 38.000 0.108 0.000 1.399 68 I HN 0.540 nan 8.210 nan 0.000 0.537 69 T N 3.921 118.442 114.554 -0.055 0.000 2.907 69 T HA 0.663 5.012 4.350 -0.002 0.000 0.290 69 T C 0.478 175.072 174.700 -0.177 0.000 1.066 69 T CA -0.127 61.915 62.100 -0.097 0.000 1.012 69 T CB 1.917 70.721 68.868 -0.106 0.000 1.184 69 T HN 0.615 nan 8.240 nan 0.000 0.522 70 A N 0.902 123.601 122.820 -0.202 0.000 2.343 70 A HA 0.343 4.662 4.320 -0.002 0.000 0.223 70 A C 0.974 178.259 177.584 -0.498 0.000 1.214 70 A CA 0.644 52.486 52.037 -0.325 0.000 0.900 70 A CB 0.039 18.963 19.000 -0.127 0.000 0.942 70 A HN 0.906 nan 8.150 nan 0.000 0.507 71 T N -0.700 113.666 114.554 -0.314 0.000 3.466 71 T HA 0.526 4.875 4.350 -0.002 0.000 0.297 71 T C -3.120 171.457 174.700 -0.206 0.000 1.640 71 T CA -1.794 60.160 62.100 -0.243 0.000 1.631 71 T CB 0.570 69.372 68.868 -0.109 0.000 0.928 71 T HN -0.013 nan 8.240 nan 0.000 0.688 72 P HA 0.227 nan 4.420 nan 0.000 0.271 72 P C 1.502 178.733 177.300 -0.116 0.000 1.218 72 P CA -0.767 62.223 63.100 -0.183 0.000 0.780 72 P CB 0.590 32.160 31.700 -0.217 0.000 0.901 73 C N 0.574 119.826 119.300 -0.081 0.000 2.489 73 C HA 0.255 4.714 4.460 -0.002 0.000 0.279 73 C C 1.824 176.787 174.990 -0.045 0.000 1.266 73 C CA 1.074 60.060 59.018 -0.053 0.000 1.707 73 C CB -1.827 25.890 27.740 -0.039 0.000 2.059 73 C HN 0.753 nan 8.230 nan 0.000 0.481 74 G N -0.394 108.377 108.800 -0.048 0.000 2.141 74 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.231 74 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.231 74 G C 0.245 175.128 174.900 -0.028 0.000 0.984 74 G CA 0.280 45.356 45.100 -0.040 0.000 0.660 74 G HN 1.174 nan 8.290 nan 0.000 0.525 75 V N 0.226 120.126 119.914 -0.023 0.000 3.111 75 V HA 0.246 4.365 4.120 -0.002 0.000 0.343 75 V C 1.173 177.263 176.094 -0.007 0.000 1.417 75 V CA 0.085 62.377 62.300 -0.014 0.000 1.142 75 V CB -0.112 31.703 31.823 -0.014 0.000 1.114 75 V HN 1.014 nan 8.190 nan 0.000 0.520 76 C N -2.445 116.853 119.300 -0.004 0.000 2.470 76 C HA 0.598 5.057 4.460 -0.002 0.000 0.341 76 C C 1.677 176.684 174.990 0.029 0.000 1.190 76 C CA -0.636 58.389 59.018 0.011 0.000 1.904 76 C CB 1.592 29.339 27.740 0.012 0.000 2.354 76 C HN 0.374 nan 8.230 nan 0.000 0.509 77 D N 1.421 121.845 120.400 0.040 0.000 2.191 77 D HA -0.186 4.453 4.640 -0.002 0.000 0.190 77 D C 1.547 177.920 176.300 0.122 0.000 1.007 77 D CA 2.142 56.181 54.000 0.063 0.000 0.865 77 D CB -0.334 40.498 40.800 0.054 0.000 0.929 77 D HN 0.695 nan 8.370 nan 0.000 0.447 78 N N -0.537 118.251 118.700 0.146 0.000 2.244 78 N HA -0.076 4.663 4.740 -0.002 0.000 0.183 78 N C 1.782 177.292 175.510 0.000 0.000 1.016 78 N CA 0.573 53.752 53.050 0.216 0.000 0.866 78 N CB -0.381 38.223 38.487 0.195 0.000 0.980 78 N HN 0.285 nan 8.380 nan 0.000 0.430 79 C N -0.053 119.233 119.300 -0.024 0.000 2.507 79 C HA 0.193 4.652 4.460 -0.002 0.000 0.280 79 C C 2.506 177.474 174.990 -0.036 0.000 1.345 79 C CA -0.209 58.766 59.018 -0.072 0.000 1.736 79 C CB -0.617 27.083 27.740 -0.067 0.000 2.060 79 C HN 0.419 nan 8.230 nan 0.000 0.498 80 R N 1.252 121.752 120.500 0.000 0.000 2.075 80 R HA -0.107 4.232 4.340 -0.002 0.000 0.232 80 R C 2.082 178.402 176.300 0.033 0.000 1.126 80 R CA 1.315 57.420 56.100 0.007 0.000 0.963 80 R CB -0.284 30.023 30.300 0.012 0.000 0.858 80 R HN 0.619 nan 8.270 nan 0.000 0.435 81 E N 0.314 120.568 120.200 0.089 0.000 2.118 81 E HA -0.193 4.156 4.350 -0.002 0.000 0.195 81 E C 1.933 178.619 176.600 0.142 0.000 0.992 81 E CA 1.063 57.555 56.400 0.153 0.000 0.804 81 E CB -0.020 29.862 29.700 0.303 0.000 0.741 81 E HN 0.375 nan 8.360 nan 0.000 0.458 82 I N 0.641 121.244 120.570 0.055 0.000 2.333 82 I HA -0.202 3.967 4.170 -0.002 0.000 0.246 82 I C 2.599 178.705 176.117 -0.018 0.000 1.106 82 I CA 0.882 62.167 61.300 -0.024 0.000 1.411 82 I CB -0.365 37.519 38.000 -0.193 0.000 1.082 82 I HN 0.132 nan 8.210 nan 0.000 0.420 83 E N 1.388 121.572 120.200 -0.028 0.000 2.147 83 E HA -0.287 4.062 4.350 -0.002 0.000 0.199 83 E C 1.831 178.421 176.600 -0.018 0.000 1.005 83 E CA 1.601 57.983 56.400 -0.029 0.000 0.810 83 E CB 0.063 29.743 29.700 -0.034 0.000 0.736 83 E HN 0.566 nan 8.360 nan 0.000 0.460 84 Q N -1.443 118.357 119.800 0.001 0.000 2.319 84 Q HA 0.162 4.501 4.340 -0.002 0.000 0.202 84 Q C 1.295 177.307 176.000 0.020 0.000 0.896 84 Q CA 0.371 56.178 55.803 0.006 0.000 0.942 84 Q CB 1.056 29.800 28.738 0.011 0.000 1.083 84 Q HN 0.470 nan 8.270 nan 0.000 0.510 85 G N 1.976 110.796 108.800 0.033 0.000 2.220 85 G HA2 -0.385 3.574 3.960 -0.002 0.000 0.269 85 G HA3 -0.385 3.574 3.960 -0.002 0.000 0.269 85 G C 1.036 175.977 174.900 0.068 0.000 0.977 85 G CA 0.761 45.889 45.100 0.046 0.000 0.634 85 G HN 0.350 nan 8.290 nan 0.000 0.539 86 R N -0.803 119.740 120.500 0.071 0.000 2.280 86 R HA 0.234 4.573 4.340 -0.002 0.000 0.207 86 R C 1.138 177.488 176.300 0.083 0.000 1.043 86 R CA 0.229 56.364 56.100 0.060 0.000 1.006 86 R CB -0.033 30.290 30.300 0.038 0.000 0.885 86 R HN 0.436 nan 8.270 nan 0.000 0.467 87 F N 0.084 120.027 119.950 -0.012 0.000 2.504 87 F HA -0.030 4.496 4.527 -0.002 0.000 0.369 87 F C 1.251 177.041 175.800 -0.016 0.000 1.082 87 F CA -0.143 57.849 58.000 -0.013 0.000 1.216 87 F CB 0.926 39.918 39.000 -0.013 0.000 1.108 87 F HN -0.304 nan 8.300 nan 0.000 0.554 88 V N 4.230 123.867 119.914 -0.461 0.000 2.951 88 V HA -0.118 4.001 4.120 -0.002 0.000 0.255 88 V C 0.798 176.807 176.094 -0.143 0.000 1.088 88 V CA 1.419 63.565 62.300 -0.256 0.000 1.109 88 V CB -0.424 31.212 31.823 -0.312 0.000 0.724 88 V HN 0.697 nan 8.190 nan 0.000 0.471 89 D N 0.154 120.484 120.400 -0.115 0.000 2.463 89 D HA 0.213 4.852 4.640 -0.002 0.000 0.224 89 D C -0.075 176.409 176.300 0.308 0.000 1.174 89 D CA 0.047 54.147 54.000 0.167 0.000 0.829 89 D CB 1.051 41.982 40.800 0.218 0.000 0.993 89 D HN 0.249 nan 8.370 nan 0.000 0.497 90 L N 1.443 122.869 121.223 0.339 0.000 2.384 90 L HA 0.398 4.737 4.340 -0.002 0.000 0.261 90 L C -0.781 176.121 176.870 0.055 0.000 1.024 90 L CA -0.452 54.467 54.840 0.131 0.000 0.899 90 L CB 0.632 42.754 42.059 0.105 0.000 1.243 90 L HN -0.155 nan 8.230 nan 0.000 0.449 91 I N 3.633 124.164 120.570 -0.065 0.000 2.347 91 I HA 0.177 4.346 4.170 -0.002 0.000 0.294 91 I C 0.317 176.466 176.117 0.055 0.000 1.090 91 I CA 0.094 61.373 61.300 -0.036 0.000 1.314 91 I CB 0.590 38.484 38.000 -0.175 0.000 1.423 91 I HN 0.601 nan 8.210 nan 0.000 0.503 92 E N 7.720 127.963 120.200 0.073 0.000 2.134 92 E HA 0.480 4.829 4.350 -0.002 0.000 0.278 92 E C -0.960 175.695 176.600 0.092 0.000 0.959 92 E CA -0.540 55.911 56.400 0.086 0.000 0.783 92 E CB 0.957 30.694 29.700 0.062 0.000 1.095 92 E HN 0.498 nan 8.360 nan 0.000 0.399 93 I N 3.846 124.482 120.570 0.111 0.000 2.362 93 I HA 0.135 4.304 4.170 -0.002 0.000 0.289 93 I C -0.341 175.812 176.117 0.060 0.000 0.994 93 I CA -0.838 60.519 61.300 0.094 0.000 1.158 93 I CB 1.539 39.612 38.000 0.121 0.000 1.315 93 I HN 0.521 nan 8.210 nan 0.000 0.451 94 D N 5.938 126.361 120.400 0.038 0.000 2.470 94 D HA 0.218 4.857 4.640 -0.002 0.000 0.226 94 D C 1.022 177.319 176.300 -0.004 0.000 1.196 94 D CA -0.009 54.002 54.000 0.018 0.000 0.979 94 D CB 1.262 42.071 40.800 0.016 0.000 1.059 94 D HN 0.653 nan 8.370 nan 0.000 0.515 95 A N 3.634 126.443 122.820 -0.019 0.000 1.972 95 A HA -0.080 4.239 4.320 -0.002 0.000 0.219 95 A C 2.086 179.620 177.584 -0.083 0.000 1.169 95 A CA 1.563 53.565 52.037 -0.059 0.000 0.635 95 A CB -0.310 18.644 19.000 -0.077 0.000 0.810 95 A HN 0.584 nan 8.150 nan 0.000 0.446 96 A N -1.665 121.110 122.820 -0.076 0.000 2.168 96 A HA 0.107 4.426 4.320 -0.002 0.000 0.215 96 A C 2.200 179.764 177.584 -0.032 0.000 1.152 96 A CA 1.789 53.787 52.037 -0.065 0.000 0.716 96 A CB -0.317 18.658 19.000 -0.042 0.000 0.794 96 A HN 0.426 nan 8.150 nan 0.000 0.465 97 S N -1.505 114.179 115.700 -0.026 0.000 2.599 97 S HA 0.199 4.668 4.470 -0.002 0.000 0.236 97 S C 0.869 175.459 174.600 -0.018 0.000 1.077 97 S CA -0.259 57.933 58.200 -0.013 0.000 0.906 97 S CB 0.181 63.380 63.200 -0.002 0.000 0.804 97 S HN 0.548 nan 8.310 nan 0.000 0.497 98 R N 2.015 122.501 120.500 -0.024 0.000 2.575 98 R HA 0.241 4.580 4.340 -0.002 0.000 0.281 98 R C 0.559 176.827 176.300 -0.054 0.000 1.272 98 R CA 0.137 56.221 56.100 -0.027 0.000 1.417 98 R CB 0.661 30.956 30.300 -0.009 0.000 1.121 98 R HN 0.361 nan 8.270 nan 0.000 0.583 99 T N -2.297 112.219 114.554 -0.063 0.000 3.015 99 T HA 0.120 4.469 4.350 -0.002 0.000 0.250 99 T C 0.682 175.321 174.700 -0.102 0.000 1.057 99 T CA -0.035 62.006 62.100 -0.098 0.000 1.066 99 T CB 0.387 69.209 68.868 -0.077 0.000 0.959 99 T HN 0.152 nan 8.240 nan 0.000 0.488 100 K N 1.331 121.690 120.400 -0.069 0.000 2.258 100 K HA 0.366 4.685 4.320 -0.002 0.000 0.264 100 K C 1.105 177.668 176.600 -0.062 0.000 1.007 100 K CA -0.343 55.907 56.287 -0.062 0.000 0.941 100 K CB 1.500 33.972 32.500 -0.047 0.000 0.966 100 K HN -0.125 nan 8.250 nan 0.000 0.480 101 V N 1.800 121.681 119.914 -0.055 0.000 2.307 101 V HA -0.208 3.911 4.120 -0.002 0.000 0.245 101 V C 1.923 177.998 176.094 -0.032 0.000 1.045 101 V CA 1.546 63.824 62.300 -0.037 0.000 1.024 101 V CB -0.477 31.340 31.823 -0.010 0.000 0.651 101 V HN 0.733 nan 8.190 nan 0.000 0.449 102 E N 0.318 120.498 120.200 -0.033 0.000 2.253 102 E HA -0.277 4.072 4.350 -0.002 0.000 0.202 102 E C 1.802 178.392 176.600 -0.017 0.000 1.014 102 E CA 1.649 58.035 56.400 -0.023 0.000 0.823 102 E CB -0.310 29.376 29.700 -0.024 0.000 0.736 102 E HN 0.641 nan 8.360 nan 0.000 0.478 103 D N -0.879 119.507 120.400 -0.023 0.000 2.216 103 D HA -0.051 4.588 4.640 -0.002 0.000 0.208 103 D C 2.063 178.353 176.300 -0.017 0.000 0.960 103 D CA 1.675 55.667 54.000 -0.015 0.000 0.861 103 D CB -0.114 40.675 40.800 -0.019 0.000 0.985 103 D HN 0.304 nan 8.370 nan 0.000 0.493 104 T N -1.621 112.911 114.554 -0.037 0.000 3.067 104 T HA 0.056 4.405 4.350 -0.002 0.000 0.261 104 T C 1.846 176.518 174.700 -0.047 0.000 1.110 104 T CA 0.245 62.315 62.100 -0.050 0.000 1.113 104 T CB 0.118 68.933 68.868 -0.087 0.000 0.917 104 T HN -0.056 nan 8.240 nan 0.000 0.499 105 R N 0.820 121.300 120.500 -0.033 0.000 2.148 105 R HA -0.014 4.325 4.340 -0.002 0.000 0.227 105 R C 1.768 178.057 176.300 -0.018 0.000 1.103 105 R CA 1.394 57.479 56.100 -0.026 0.000 0.983 105 R CB -0.132 30.158 30.300 -0.016 0.000 0.874 105 R HN 0.443 nan 8.270 nan 0.000 0.451 106 D N 0.682 121.079 120.400 -0.005 0.000 2.103 106 D HA -0.152 4.487 4.640 -0.002 0.000 0.199 106 D C 1.871 178.180 176.300 0.015 0.000 0.978 106 D CA 0.533 54.540 54.000 0.012 0.000 0.829 106 D CB -0.256 40.560 40.800 0.027 0.000 0.981 106 D HN 0.042 nan 8.370 nan 0.000 0.464 107 L N 0.984 122.215 121.223 0.012 0.000 2.034 107 L HA -0.215 4.124 4.340 -0.002 0.000 0.217 107 L C 2.194 179.035 176.870 -0.049 0.000 1.077 107 L CA 1.547 56.394 54.840 0.011 0.000 0.769 107 L CB -0.705 41.338 42.059 -0.027 0.000 0.890 107 L HN 0.122 nan 8.230 nan 0.000 0.435 108 L N -0.740 120.443 121.223 -0.068 0.000 2.093 108 L HA -0.207 4.132 4.340 -0.002 0.000 0.208 108 L C 2.024 178.848 176.870 -0.077 0.000 1.085 108 L CA 1.236 56.028 54.840 -0.081 0.000 0.755 108 L CB -0.727 41.290 42.059 -0.071 0.000 0.904 108 L HN 0.240 nan 8.230 nan 0.000 0.435 109 D N -0.066 120.296 120.400 -0.064 0.000 2.350 109 D HA -0.103 4.536 4.640 -0.002 0.000 0.216 109 D C 1.100 177.290 176.300 -0.183 0.000 0.968 109 D CA 0.778 54.719 54.000 -0.098 0.000 0.894 109 D CB -0.096 40.676 40.800 -0.047 0.000 0.909 109 D HN 0.194 nan 8.370 nan 0.000 0.520 110 N N -0.320 118.325 118.700 -0.091 0.000 2.328 110 N HA 0.079 4.818 4.740 -0.002 0.000 0.247 110 N C 0.833 176.376 175.510 0.056 0.000 1.165 110 N CA 0.016 53.037 53.050 -0.049 0.000 0.873 110 N CB 1.305 39.871 38.487 0.132 0.000 1.125 110 N HN 0.020 nan 8.380 nan 0.000 0.513 111 V N 0.774 120.671 119.914 -0.028 0.000 2.581 111 V HA -0.126 3.993 4.120 -0.002 0.000 0.240 111 V C 2.474 178.598 176.094 0.049 0.000 1.054 111 V CA 0.981 63.314 62.300 0.056 0.000 1.076 111 V CB -0.152 31.643 31.823 -0.046 0.000 0.748 111 V HN 0.345 nan 8.190 nan 0.000 0.474 112 Q N 0.281 120.041 119.800 -0.067 0.000 2.173 112 Q HA -0.231 4.108 4.340 -0.002 0.000 0.208 112 Q C 0.516 176.636 176.000 0.199 0.000 0.989 112 Q CA 1.674 57.485 55.803 0.014 0.000 0.872 112 Q CB -0.672 27.990 28.738 -0.127 0.000 0.909 112 Q HN 0.651 nan 8.270 nan 0.000 0.420 113 Y N 1.277 121.704 120.300 0.212 0.000 2.411 113 Y HA 0.318 4.867 4.550 -0.002 0.000 0.333 113 Y C 0.889 176.936 175.900 0.245 0.000 1.186 113 Y CA -0.844 57.353 58.100 0.162 0.000 1.381 113 Y CB 0.470 38.993 38.460 0.105 0.000 1.273 113 Y HN 0.205 nan 8.280 nan 0.000 0.546 114 A N 5.609 128.549 122.820 0.200 0.000 2.425 114 A HA 0.240 4.559 4.320 -0.002 0.000 0.242 114 A C -2.152 175.496 177.584 0.106 0.000 1.077 114 A CA -1.334 50.688 52.037 -0.024 0.000 0.781 114 A CB -0.451 18.456 19.000 -0.155 0.000 1.020 114 A HN 0.500 nan 8.150 nan 0.000 0.494 115 P HA 0.261 nan 4.420 nan 0.000 0.274 115 P C 0.563 177.872 177.300 0.014 0.000 1.231 115 P CA 0.387 63.544 63.100 0.095 0.000 0.790 115 P CB 1.279 33.052 31.700 0.122 0.000 0.951 116 A N 3.562 126.371 122.820 -0.018 0.000 1.832 116 A HA -0.060 4.259 4.320 -0.002 0.000 0.214 116 A C 1.982 179.516 177.584 -0.082 0.000 1.204 116 A CA 1.236 53.234 52.037 -0.064 0.000 0.606 116 A CB -0.468 18.468 19.000 -0.106 0.000 0.849 116 A HN 0.561 nan 8.150 nan 0.000 0.445 117 R N -1.590 118.839 120.500 -0.119 0.000 2.538 117 R HA 0.222 4.561 4.340 -0.002 0.000 0.372 117 R C 0.485 176.771 176.300 -0.022 0.000 0.950 117 R CA 0.424 56.462 56.100 -0.103 0.000 1.168 117 R CB 1.027 31.224 30.300 -0.172 0.000 1.542 117 R HN 0.532 nan 8.270 nan 0.000 0.536 118 G N -0.467 108.355 108.800 0.037 0.000 2.887 118 G HA2 0.198 4.157 3.960 -0.002 0.000 0.277 118 G HA3 0.198 4.157 3.960 -0.002 0.000 0.277 118 G C 0.012 174.967 174.900 0.091 0.000 1.346 118 G CA -0.445 44.782 45.100 0.212 0.000 1.058 118 G HN 0.117 nan 8.290 nan 0.000 0.535 119 R N -2.048 118.499 120.500 0.078 0.000 2.250 119 R HA 0.357 4.696 4.340 -0.002 0.000 0.194 119 R C -0.633 175.484 176.300 -0.306 0.000 0.927 119 R CA 0.230 56.251 56.100 -0.132 0.000 1.052 119 R CB 0.193 30.398 30.300 -0.157 0.000 1.055 119 R HN 0.257 nan 8.270 nan 0.000 0.537 120 F N 1.130 121.141 119.950 0.101 0.000 2.551 120 F HA 0.434 4.960 4.527 -0.002 0.000 0.316 120 F C -0.412 175.432 175.800 0.073 0.000 1.089 120 F CA -1.045 57.009 58.000 0.090 0.000 0.915 120 F CB 2.004 41.033 39.000 0.049 0.000 1.186 120 F HN -0.264 nan 8.300 nan 0.000 0.456 121 K N 2.484 123.027 120.400 0.238 0.000 2.285 121 K HA 0.520 4.839 4.320 -0.002 0.000 0.286 121 K C -1.305 175.254 176.600 -0.068 0.000 1.072 121 K CA -0.218 56.094 56.287 0.041 0.000 0.913 121 K CB 0.685 33.198 32.500 0.021 0.000 1.067 121 K HN 0.455 nan 8.250 nan 0.000 0.479 122 V N 6.219 126.061 119.914 -0.120 0.000 2.334 122 V HA 0.210 4.329 4.120 -0.002 0.000 0.281 122 V C -0.863 175.125 176.094 -0.175 0.000 1.016 122 V CA -0.866 61.373 62.300 -0.102 0.000 0.832 122 V CB 0.337 32.144 31.823 -0.026 0.000 0.999 122 V HN 0.584 nan 8.190 nan 0.000 0.439 123 Y N 4.875 125.174 120.300 -0.001 0.000 2.316 123 Y HA 0.549 5.098 4.550 -0.002 0.000 0.331 123 Y C 0.024 176.051 175.900 0.212 0.000 1.083 123 Y CA -0.677 57.511 58.100 0.147 0.000 1.206 123 Y CB 1.447 40.098 38.460 0.318 0.000 1.195 123 Y HN 0.495 nan 8.280 nan 0.000 0.497 124 L N 5.843 127.238 121.223 0.287 0.000 2.366 124 L HA 0.536 4.875 4.340 -0.002 0.000 0.266 124 L C -1.345 175.654 176.870 0.216 0.000 1.010 124 L CA -0.727 54.253 54.840 0.232 0.000 0.879 124 L CB 0.195 42.339 42.059 0.141 0.000 1.228 124 L HN 0.499 nan 8.230 nan 0.000 0.439 125 I N 4.358 125.068 120.570 0.233 0.000 2.312 125 I HA 0.330 4.499 4.170 -0.002 0.000 0.291 125 I C -0.276 175.919 176.117 0.129 0.000 1.031 125 I CA 0.130 61.527 61.300 0.161 0.000 1.293 125 I CB 1.035 39.116 38.000 0.136 0.000 1.403 125 I HN 0.528 nan 8.210 nan 0.000 0.484 126 D N 5.547 125.999 120.400 0.087 0.000 2.350 126 D HA 0.337 4.976 4.640 -0.002 0.000 0.245 126 D C -0.070 176.241 176.300 0.018 0.000 1.036 126 D CA -0.003 54.041 54.000 0.074 0.000 0.848 126 D CB 1.135 41.976 40.800 0.068 0.000 1.307 126 D HN 0.366 nan 8.370 nan 0.000 0.469 127 E N 1.109 121.313 120.200 0.007 0.000 2.957 127 E HA -0.162 4.187 4.350 -0.002 0.000 0.287 127 E C 1.168 177.566 176.600 -0.337 0.000 0.976 127 E CA 0.467 56.781 56.400 -0.143 0.000 0.907 127 E CB -1.918 27.716 29.700 -0.111 0.000 1.456 127 E HN 0.323 nan 8.360 nan 0.000 0.421 128 V N 1.698 121.560 119.914 -0.087 0.000 2.794 128 V HA -0.273 3.846 4.120 -0.002 0.000 0.260 128 V C 2.262 178.415 176.094 0.098 0.000 1.103 128 V CA 2.579 64.884 62.300 0.008 0.000 1.125 128 V CB -0.662 31.244 31.823 0.138 0.000 0.702 128 V HN 0.611 nan 8.190 nan 0.000 0.494 129 H N -2.072 117.133 119.070 0.224 0.000 2.563 129 H HA 0.036 4.591 4.556 -0.002 0.000 0.272 129 H C 1.610 177.100 175.328 0.270 0.000 1.005 129 H CA 0.636 56.862 56.048 0.298 0.000 1.171 129 H CB -0.164 29.697 29.762 0.165 0.000 1.351 129 H HN 0.402 nan 8.280 nan 0.000 0.602 130 M N 1.046 120.576 119.600 -0.117 0.000 2.441 130 M HA 0.205 4.684 4.480 -0.002 0.000 0.244 130 M C 0.639 176.883 176.300 -0.093 0.000 1.122 130 M CA -0.159 55.120 55.300 -0.035 0.000 1.041 130 M CB 0.150 32.665 32.600 -0.142 0.000 1.438 130 M HN 0.166 nan 8.290 nan 0.000 0.484 131 L N 1.816 122.870 121.223 -0.282 0.000 2.490 131 L HA -0.004 4.335 4.340 -0.002 0.000 0.274 131 L C 1.107 177.678 176.870 -0.498 0.000 1.201 131 L CA -0.295 54.227 54.840 -0.529 0.000 0.869 131 L CB 0.191 41.675 42.059 -0.959 0.000 1.123 131 L HN 0.294 nan 8.230 nan 0.000 0.484 132 S N 2.863 118.397 115.700 -0.278 0.000 2.572 132 S HA -0.025 4.444 4.470 -0.002 0.000 0.267 132 S C 1.102 175.666 174.600 -0.060 0.000 1.361 132 S CA -0.294 57.847 58.200 -0.098 0.000 1.009 132 S CB 0.705 63.880 63.200 -0.041 0.000 0.888 132 S HN 0.757 nan 8.310 nan 0.000 0.553 133 R N 0.145 120.729 120.500 0.141 0.000 2.105 133 R HA -0.172 4.167 4.340 -0.002 0.000 0.239 133 R C 1.839 178.234 176.300 0.160 0.000 1.135 133 R CA 1.900 58.143 56.100 0.238 0.000 0.967 133 R CB -0.568 29.837 30.300 0.176 0.000 0.861 133 R HN 0.888 nan 8.270 nan 0.000 0.442 134 H N -0.787 118.294 119.070 0.018 0.000 2.428 134 H HA 0.095 4.650 4.556 -0.002 0.000 0.296 134 H C 2.211 177.516 175.328 -0.040 0.000 1.062 134 H CA 1.760 57.808 56.048 -0.001 0.000 1.350 134 H CB 0.219 29.972 29.762 -0.016 0.000 1.403 134 H HN 0.131 nan 8.280 nan 0.000 0.533 135 S N -0.414 115.291 115.700 0.008 0.000 2.356 135 S HA -0.139 4.330 4.470 -0.002 0.000 0.223 135 S C 1.779 176.299 174.600 -0.133 0.000 1.032 135 S CA 1.039 59.167 58.200 -0.120 0.000 1.005 135 S CB -0.332 62.721 63.200 -0.245 0.000 0.867 135 S HN 0.314 nan 8.310 nan 0.000 0.449 136 F N 2.454 122.394 119.950 -0.018 0.000 2.043 136 F HA -0.209 4.317 4.527 -0.002 0.000 0.297 136 F C 2.462 178.225 175.800 -0.060 0.000 1.118 136 F CA 1.269 59.242 58.000 -0.044 0.000 1.202 136 F CB -0.572 38.408 39.000 -0.032 0.000 0.965 136 F HN 0.249 nan 8.300 nan 0.000 0.482 137 N N 0.259 119.044 118.700 0.142 0.000 2.258 137 N HA -0.202 4.537 4.740 -0.002 0.000 0.187 137 N C 1.877 177.387 175.510 0.000 0.000 1.012 137 N CA 1.104 54.174 53.050 0.033 0.000 0.870 137 N CB -0.331 38.138 38.487 -0.030 0.000 0.977 137 N HN 0.303 nan 8.380 nan 0.000 0.434 138 A N 1.656 124.473 122.820 -0.005 0.000 1.898 138 A HA -0.026 4.293 4.320 -0.002 0.000 0.216 138 A C 2.257 179.811 177.584 -0.049 0.000 1.181 138 A CA 0.679 52.701 52.037 -0.025 0.000 0.620 138 A CB -0.556 18.428 19.000 -0.027 0.000 0.819 138 A HN 0.162 nan 8.150 nan 0.000 0.442 139 L N -0.365 120.818 121.223 -0.066 0.000 2.265 139 L HA -0.158 4.181 4.340 -0.002 0.000 0.215 139 L C 2.408 179.226 176.870 -0.087 0.000 1.117 139 L CA 0.543 55.310 54.840 -0.121 0.000 0.782 139 L CB -0.752 41.212 42.059 -0.158 0.000 0.914 139 L HN 0.394 nan 8.230 nan 0.000 0.441 140 L N -0.043 121.156 121.223 -0.040 0.000 1.997 140 L HA -0.280 4.059 4.340 -0.002 0.000 0.216 140 L C 2.813 179.663 176.870 -0.033 0.000 1.074 140 L CA 1.560 56.383 54.840 -0.029 0.000 0.763 140 L CB -0.442 41.606 42.059 -0.018 0.000 0.890 140 L HN 0.298 nan 8.230 nan 0.000 0.434 141 K N -0.856 119.524 120.400 -0.034 0.000 2.103 141 K HA -0.045 4.274 4.320 -0.002 0.000 0.204 141 K C 2.032 178.611 176.600 -0.035 0.000 1.052 141 K CA 1.444 57.713 56.287 -0.029 0.000 0.945 141 K CB -0.496 31.989 32.500 -0.025 0.000 0.722 141 K HN 0.355 nan 8.250 nan 0.000 0.443 142 T N 2.136 116.664 114.554 -0.043 0.000 2.770 142 T HA -0.080 4.269 4.350 -0.002 0.000 0.263 142 T C 1.868 176.566 174.700 -0.003 0.000 1.039 142 T CA 0.522 62.609 62.100 -0.021 0.000 1.142 142 T CB -0.259 68.599 68.868 -0.016 0.000 0.868 142 T HN -0.034 nan 8.240 nan 0.000 0.435 143 L N 1.555 122.741 121.223 -0.062 0.000 2.129 143 L HA -0.124 4.215 4.340 -0.002 0.000 0.212 143 L C 2.426 179.324 176.870 0.046 0.000 1.087 143 L CA 1.728 56.564 54.840 -0.008 0.000 0.757 143 L CB -0.494 41.525 42.059 -0.066 0.000 0.896 143 L HN 0.398 nan 8.230 nan 0.000 0.434 144 E N -0.649 119.546 120.200 -0.008 0.000 2.250 144 E HA -0.080 4.269 4.350 -0.002 0.000 0.192 144 E C 0.290 176.806 176.600 -0.140 0.000 0.986 144 E CA 0.605 57.011 56.400 0.011 0.000 0.849 144 E CB 0.256 29.965 29.700 0.016 0.000 0.797 144 E HN 0.565 nan 8.360 nan 0.000 0.482 145 E N 1.328 121.421 120.200 -0.178 0.000 4.230 145 E HA 0.230 4.579 4.350 -0.002 0.000 0.216 145 E C -2.521 173.988 176.600 -0.152 0.000 1.132 145 E CA -1.417 54.873 56.400 -0.183 0.000 1.404 145 E CB 1.538 31.191 29.700 -0.079 0.000 1.183 145 E HN 0.218 nan 8.360 nan 0.000 0.431 146 P HA 0.192 nan 4.420 nan 0.000 0.274 146 P C -2.468 174.793 177.300 -0.066 0.000 1.256 146 P CA -1.239 61.811 63.100 -0.083 0.000 0.795 146 P CB -0.138 31.526 31.700 -0.059 0.000 1.038 147 P HA -0.032 nan 4.420 nan 0.000 0.267 147 P C 0.797 178.139 177.300 0.070 0.000 1.201 147 P CA 0.138 63.265 63.100 0.045 0.000 0.775 147 P CB 0.247 31.948 31.700 0.002 0.000 0.854 148 E N 1.150 121.461 120.200 0.184 0.000 2.409 148 E HA -0.212 4.137 4.350 -0.002 0.000 0.198 148 E C 0.854 177.625 176.600 0.285 0.000 1.024 148 E CA 0.879 57.395 56.400 0.192 0.000 0.861 148 E CB -0.538 29.258 29.700 0.161 0.000 0.788 148 E HN 0.583 nan 8.360 nan 0.000 0.521 149 H N -0.089 119.069 119.070 0.148 0.000 2.505 149 H HA 0.369 4.924 4.556 -0.002 0.000 0.289 149 H C -0.324 175.172 175.328 0.281 0.000 1.052 149 H CA -0.419 55.740 56.048 0.185 0.000 1.156 149 H CB -0.180 29.616 29.762 0.056 0.000 1.507 149 H HN -0.034 nan 8.280 nan 0.000 0.548 150 V N 1.952 121.836 119.914 -0.050 0.000 2.604 150 V HA 0.359 4.478 4.120 -0.002 0.000 0.305 150 V C -0.510 175.531 176.094 -0.089 0.000 1.043 150 V CA -0.863 61.347 62.300 -0.149 0.000 0.888 150 V CB 2.256 33.875 31.823 -0.340 0.000 0.995 150 V HN 0.166 nan 8.190 nan 0.000 0.429 151 K N 3.760 124.072 120.400 -0.148 0.000 2.378 151 K HA 0.592 4.911 4.320 -0.002 0.000 0.252 151 K C -1.361 175.149 176.600 -0.151 0.000 0.931 151 K CA -0.325 55.910 56.287 -0.086 0.000 0.794 151 K CB 2.228 34.660 32.500 -0.114 0.000 1.181 151 K HN 0.472 nan 8.250 nan 0.000 0.425 152 F N 2.708 122.813 119.950 0.259 0.000 2.402 152 F HA 0.413 4.939 4.527 -0.001 0.000 0.355 152 F C 0.213 176.172 175.800 0.265 0.000 1.123 152 F CA -0.861 57.292 58.000 0.255 0.000 1.021 152 F CB 1.113 40.234 39.000 0.201 0.000 1.160 152 F HN 0.059 nan 8.300 nan 0.000 0.451 153 L N 6.178 127.666 121.223 0.441 0.000 2.295 153 L HA 0.478 4.817 4.340 -0.002 0.000 0.281 153 L C -0.806 176.279 176.870 0.358 0.000 1.018 153 L CA -0.515 54.559 54.840 0.390 0.000 0.841 153 L CB 1.013 43.269 42.059 0.328 0.000 1.218 153 L HN 0.504 nan 8.230 nan 0.000 0.424 154 L N 3.299 124.708 121.223 0.311 0.000 2.309 154 L HA 0.853 5.192 4.340 -0.002 0.000 0.282 154 L C 0.108 177.149 176.870 0.285 0.000 1.036 154 L CA -0.440 54.549 54.840 0.247 0.000 0.806 154 L CB 1.734 43.897 42.059 0.173 0.000 1.220 154 L HN 0.640 nan 8.230 nan 0.000 0.429 155 A N 1.845 124.815 122.820 0.249 0.000 2.449 155 A HA 0.853 5.172 4.320 -0.002 0.000 0.302 155 A C -0.653 177.054 177.584 0.206 0.000 1.048 155 A CA -0.509 51.685 52.037 0.263 0.000 0.708 155 A CB 2.242 21.398 19.000 0.260 0.000 1.274 155 A HN 0.580 nan 8.150 nan 0.000 0.410 156 T N -0.111 114.577 114.554 0.224 0.000 2.957 156 T HA 0.417 4.766 4.350 -0.002 0.000 0.336 156 T C 0.992 175.829 174.700 0.228 0.000 1.462 156 T CA 0.373 62.634 62.100 0.267 0.000 1.073 156 T CB 1.059 70.135 68.868 0.346 0.000 1.319 156 T HN 0.766 nan 8.240 nan 0.000 0.485 157 T N 1.616 116.303 114.554 0.221 0.000 2.803 157 T HA -0.013 4.336 4.350 -0.002 0.000 0.269 157 T C 0.535 175.287 174.700 0.086 0.000 1.052 157 T CA 1.296 63.471 62.100 0.124 0.000 1.136 157 T CB -0.131 68.786 68.868 0.082 0.000 0.864 157 T HN 0.580 nan 8.240 nan 0.000 0.467 158 D N 0.787 121.223 120.400 0.060 0.000 2.517 158 D HA 0.248 4.887 4.640 -0.002 0.000 0.263 158 D C -2.273 174.034 176.300 0.012 0.000 1.233 158 D CA -2.204 51.770 54.000 -0.043 0.000 0.849 158 D CB 1.307 41.938 40.800 -0.283 0.000 1.261 158 D HN 0.011 nan 8.370 nan 0.000 0.516 159 P HA -0.045 nan 4.420 nan 0.000 0.230 159 P C 1.529 178.813 177.300 -0.026 0.000 1.168 159 P CA 0.324 63.443 63.100 0.031 0.000 0.793 159 P CB 0.507 32.226 31.700 0.032 0.000 0.851 160 Q N 0.983 120.763 119.800 -0.034 0.000 2.231 160 Q HA -0.246 4.093 4.340 -0.002 0.000 0.217 160 Q C 1.785 177.749 176.000 -0.060 0.000 1.013 160 Q CA 1.928 57.702 55.803 -0.049 0.000 0.917 160 Q CB -0.764 27.950 28.738 -0.041 0.000 0.968 160 Q HN 0.454 nan 8.270 nan 0.000 0.414 161 K N -0.068 120.306 120.400 -0.044 0.000 2.365 161 K HA 0.103 4.422 4.320 -0.002 0.000 0.197 161 K C 0.759 177.273 176.600 -0.144 0.000 1.042 161 K CA -0.033 56.233 56.287 -0.034 0.000 0.987 161 K CB 0.110 32.643 32.500 0.055 0.000 0.779 161 K HN 0.165 nan 8.250 nan 0.000 0.484 162 L N 2.733 123.816 121.223 -0.233 0.000 2.397 162 L HA 0.160 4.499 4.340 -0.002 0.000 0.271 162 L C -2.167 174.438 176.870 -0.443 0.000 1.148 162 L CA -2.225 52.277 54.840 -0.564 0.000 0.825 162 L CB -0.195 41.625 42.059 -0.398 0.000 1.117 162 L HN -0.201 nan 8.230 nan 0.000 0.456 163 P HA -0.116 nan 4.420 nan 0.000 0.264 163 P C 0.658 177.831 177.300 -0.212 0.000 1.179 163 P CA 0.102 63.023 63.100 -0.297 0.000 0.763 163 P CB 0.669 32.206 31.700 -0.271 0.000 0.806 164 V N 2.822 122.652 119.914 -0.140 0.000 3.241 164 V HA -0.169 3.950 4.120 -0.002 0.000 0.269 164 V C 1.435 177.470 176.094 -0.098 0.000 1.151 164 V CA 2.639 64.872 62.300 -0.112 0.000 1.158 164 V CB -1.291 30.481 31.823 -0.086 0.000 0.764 164 V HN 0.699 nan 8.190 nan 0.000 0.508 165 T N -1.242 113.253 114.554 -0.097 0.000 2.937 165 T HA 0.040 4.389 4.350 -0.002 0.000 0.260 165 T C 1.878 176.536 174.700 -0.070 0.000 1.051 165 T CA 1.121 63.179 62.100 -0.070 0.000 1.141 165 T CB -0.165 68.670 68.868 -0.055 0.000 0.879 165 T HN 0.363 nan 8.240 nan 0.000 0.459 166 I N 1.244 121.754 120.570 -0.100 0.000 2.315 166 I HA 0.001 4.170 4.170 -0.002 0.000 0.248 166 I C 2.344 178.409 176.117 -0.086 0.000 1.117 166 I CA 0.952 62.200 61.300 -0.086 0.000 1.404 166 I CB -0.955 36.969 38.000 -0.126 0.000 1.071 166 I HN 0.258 nan 8.210 nan 0.000 0.419 167 L N 0.208 121.365 121.223 -0.110 0.000 1.988 167 L HA -0.217 4.122 4.340 -0.002 0.000 0.207 167 L C 2.720 179.529 176.870 -0.101 0.000 1.071 167 L CA 1.614 56.388 54.840 -0.110 0.000 0.744 167 L CB -0.879 41.112 42.059 -0.113 0.000 0.893 167 L HN 0.184 nan 8.230 nan 0.000 0.433 168 S N -0.143 115.507 115.700 -0.084 0.000 2.432 168 S HA -0.302 4.167 4.470 -0.002 0.000 0.243 168 S C 1.992 176.562 174.600 -0.050 0.000 1.069 168 S CA 1.845 60.006 58.200 -0.066 0.000 1.047 168 S CB -0.248 62.923 63.200 -0.048 0.000 0.854 168 S HN 0.376 nan 8.310 nan 0.000 0.474 169 R N -1.155 119.324 120.500 -0.036 0.000 2.334 169 R HA 0.286 4.625 4.340 -0.002 0.000 0.216 169 R C 0.086 176.390 176.300 0.007 0.000 0.905 169 R CA 0.010 56.124 56.100 0.024 0.000 1.064 169 R CB 0.212 30.546 30.300 0.056 0.000 1.046 169 R HN 0.349 nan 8.270 nan 0.000 0.508 170 C N 0.280 119.504 119.300 -0.127 0.000 2.595 170 C HA 0.484 4.943 4.460 -0.002 0.000 0.338 170 C C 0.136 174.815 174.990 -0.519 0.000 1.219 170 C CA -1.135 57.713 59.018 -0.283 0.000 1.811 170 C CB 1.309 28.925 27.740 -0.206 0.000 2.313 170 C HN 0.254 nan 8.230 nan 0.000 0.499 171 L N 1.878 122.601 121.223 -0.833 0.000 2.305 171 L HA 0.405 4.744 4.340 -0.002 0.000 0.281 171 L C 0.100 176.517 176.870 -0.755 0.000 1.085 171 L CA 0.283 54.602 54.840 -0.868 0.000 0.813 171 L CB 0.573 41.949 42.059 -1.137 0.000 1.157 171 L HN 0.701 nan 8.230 nan 0.000 0.436 172 Q N 2.970 122.373 119.800 -0.662 0.000 2.333 172 Q HA 0.417 4.756 4.340 -0.002 0.000 0.265 172 Q C -1.640 174.060 176.000 -0.501 0.000 0.989 172 Q CA -0.651 54.874 55.803 -0.462 0.000 0.842 172 Q CB 1.268 29.863 28.738 -0.239 0.000 1.262 172 Q HN 0.371 nan 8.270 nan 0.000 0.451 173 F N 2.596 122.509 119.950 -0.061 0.000 2.388 173 F HA 0.245 4.771 4.527 -0.002 0.000 0.358 173 F C -0.065 175.858 175.800 0.205 0.000 1.122 173 F CA -0.733 57.320 58.000 0.089 0.000 1.056 173 F CB 0.956 40.029 39.000 0.122 0.000 1.155 173 F HN 0.565 nan 8.300 nan 0.000 0.461 174 H N 4.239 123.490 119.070 0.301 0.000 2.594 174 H HA 0.445 5.000 4.556 -0.002 0.000 0.304 174 H C -0.719 174.806 175.328 0.328 0.000 1.068 174 H CA -0.437 55.753 56.048 0.236 0.000 1.308 174 H CB 0.576 30.419 29.762 0.136 0.000 1.409 174 H HN 0.513 nan 8.280 nan 0.000 0.460 175 L N 5.440 126.630 121.223 -0.055 0.000 2.331 175 L HA 0.217 4.556 4.340 -0.002 0.000 0.278 175 L C 0.694 177.452 176.870 -0.187 0.000 1.106 175 L CA -0.383 54.430 54.840 -0.046 0.000 0.824 175 L CB 0.764 42.780 42.059 -0.072 0.000 1.142 175 L HN 0.623 nan 8.230 nan 0.000 0.443 176 K N 1.679 122.109 120.400 0.050 0.000 2.149 176 K HA 0.418 4.737 4.320 -0.002 0.000 0.245 176 K C 0.109 176.699 176.600 -0.017 0.000 1.024 176 K CA -0.524 55.778 56.287 0.024 0.000 0.899 176 K CB 0.643 33.210 32.500 0.111 0.000 1.038 176 K HN 0.705 nan 8.250 nan 0.000 0.496 177 A N 1.503 124.321 122.820 -0.004 0.000 2.322 177 A HA 0.300 4.619 4.320 -0.002 0.000 0.269 177 A C -0.231 177.352 177.584 -0.001 0.000 1.094 177 A CA -0.564 51.469 52.037 -0.006 0.000 0.807 177 A CB 0.119 19.122 19.000 0.005 0.000 1.047 177 A HN 0.589 nan 8.150 nan 0.000 0.487 178 L N 1.728 122.946 121.223 -0.008 0.000 2.319 178 L HA 0.136 4.475 4.340 -0.002 0.000 0.280 178 L C 0.295 177.162 176.870 -0.005 0.000 1.099 178 L CA -0.514 54.321 54.840 -0.009 0.000 0.828 178 L CB 0.594 42.642 42.059 -0.018 0.000 1.150 178 L HN 0.766 nan 8.230 nan 0.000 0.442 179 D N 2.154 122.552 120.400 -0.003 0.000 2.525 179 D HA -0.030 4.609 4.640 -0.002 0.000 0.235 179 D C 1.170 177.467 176.300 -0.004 0.000 1.137 179 D CA -0.153 53.845 54.000 -0.003 0.000 0.868 179 D CB 1.312 42.109 40.800 -0.005 0.000 1.180 179 D HN 0.269 nan 8.370 nan 0.000 0.465 180 V N 3.242 123.154 119.914 -0.003 0.000 2.252 180 V HA -0.345 3.774 4.120 -0.002 0.000 0.255 180 V C 2.242 178.336 176.094 -0.000 0.000 1.071 180 V CA 2.553 64.852 62.300 -0.002 0.000 1.050 180 V CB -1.094 30.728 31.823 -0.001 0.000 0.654 180 V HN 0.717 nan 8.190 nan 0.000 0.448 181 E N 0.299 120.499 120.200 -0.001 0.000 2.047 181 E HA -0.224 4.125 4.350 -0.002 0.000 0.191 181 E C 2.235 178.843 176.600 0.013 0.000 0.987 181 E CA 1.695 58.098 56.400 0.004 0.000 0.799 181 E CB -0.476 29.219 29.700 -0.009 0.000 0.752 181 E HN 0.691 nan 8.360 nan 0.000 0.449 182 Q N -0.061 119.738 119.800 -0.001 0.000 2.156 182 Q HA -0.221 4.118 4.340 -0.002 0.000 0.211 182 Q C 2.357 178.367 176.000 0.017 0.000 0.995 182 Q CA 2.063 57.869 55.803 0.005 0.000 0.877 182 Q CB -0.355 28.377 28.738 -0.011 0.000 0.920 182 Q HN 0.451 nan 8.270 nan 0.000 0.416 183 I N -0.181 120.389 120.570 0.001 0.000 2.353 183 I HA -0.230 3.939 4.170 -0.002 0.000 0.248 183 I C 2.658 178.766 176.117 -0.016 0.000 1.119 183 I CA 0.818 62.109 61.300 -0.014 0.000 1.417 183 I CB -0.306 37.683 38.000 -0.018 0.000 1.078 183 I HN 0.176 nan 8.210 nan 0.000 0.421 184 R N 0.240 120.742 120.500 0.003 0.000 2.066 184 R HA -0.197 4.142 4.340 -0.002 0.000 0.232 184 R C 2.518 178.823 176.300 0.007 0.000 1.131 184 R CA 1.389 57.486 56.100 -0.004 0.000 0.955 184 R CB -0.476 29.831 30.300 0.012 0.000 0.851 184 R HN 0.444 nan 8.270 nan 0.000 0.432 185 H N 0.247 119.285 119.070 -0.053 0.000 2.289 185 H HA -0.233 4.322 4.556 -0.002 0.000 0.296 185 H C 2.054 177.341 175.328 -0.068 0.000 1.091 185 H CA 2.426 58.444 56.048 -0.051 0.000 1.274 185 H CB 0.135 29.868 29.762 -0.047 0.000 1.364 185 H HN 0.230 nan 8.280 nan 0.000 0.490 186 Q N 0.840 120.609 119.800 -0.051 0.000 2.077 186 Q HA -0.152 4.187 4.340 -0.002 0.000 0.206 186 Q C 2.671 178.552 176.000 -0.200 0.000 0.989 186 Q CA 1.887 57.605 55.803 -0.140 0.000 0.853 186 Q CB -0.513 28.170 28.738 -0.091 0.000 0.907 186 Q HN 0.566 nan 8.270 nan 0.000 0.418 187 L N -0.003 121.113 121.223 -0.178 0.000 2.083 187 L HA -0.195 4.144 4.340 -0.002 0.000 0.209 187 L C 2.540 179.222 176.870 -0.313 0.000 1.083 187 L CA 1.740 56.444 54.840 -0.227 0.000 0.752 187 L CB -0.479 41.480 42.059 -0.167 0.000 0.899 187 L HN 0.421 nan 8.230 nan 0.000 0.433 188 E N -0.497 119.532 120.200 -0.286 0.000 2.017 188 E HA -0.312 4.037 4.350 -0.002 0.000 0.193 188 E C 2.282 178.679 176.600 -0.338 0.000 0.997 188 E CA 1.488 57.684 56.400 -0.340 0.000 0.804 188 E CB -0.207 29.369 29.700 -0.207 0.000 0.757 188 E HN 0.449 nan 8.360 nan 0.000 0.448 189 H N 0.792 119.608 119.070 -0.423 0.000 2.289 189 H HA -0.164 4.391 4.556 -0.002 0.000 0.296 189 H C 2.213 177.268 175.328 -0.456 0.000 1.091 189 H CA 2.208 58.016 56.048 -0.401 0.000 1.274 189 H CB -0.221 29.295 29.762 -0.410 0.000 1.364 189 H HN 0.282 nan 8.280 nan 0.000 0.490 190 I N 0.719 120.948 120.570 -0.569 0.000 2.179 190 I HA -0.305 3.864 4.170 -0.002 0.000 0.242 190 I C 2.746 178.525 176.117 -0.563 0.000 1.088 190 I CA 0.976 61.731 61.300 -0.909 0.000 1.357 190 I CB -0.331 37.054 38.000 -1.025 0.000 1.051 190 I HN 0.230 nan 8.210 nan 0.000 0.409 191 L N 0.446 121.407 121.223 -0.436 0.000 2.201 191 L HA -0.175 4.164 4.340 -0.002 0.000 0.212 191 L C 2.183 178.915 176.870 -0.229 0.000 1.105 191 L CA 0.897 55.553 54.840 -0.306 0.000 0.775 191 L CB -0.672 41.142 42.059 -0.409 0.000 0.913 191 L HN 0.310 nan 8.230 nan 0.000 0.440 192 N N -0.234 118.287 118.700 -0.299 0.000 2.109 192 N HA -0.149 4.590 4.740 -0.002 0.000 0.188 192 N C 1.824 177.103 175.510 -0.385 0.000 1.034 192 N CA 0.965 53.857 53.050 -0.264 0.000 0.846 192 N CB -0.122 38.217 38.487 -0.245 0.000 1.010 192 N HN 0.188 nan 8.380 nan 0.000 0.425 193 E N 1.120 121.088 120.200 -0.386 0.000 2.058 193 E HA -0.144 4.205 4.350 -0.002 0.000 0.194 193 E C 1.458 178.023 176.600 -0.058 0.000 0.997 193 E CA 0.818 57.089 56.400 -0.215 0.000 0.801 193 E CB -0.151 29.559 29.700 0.016 0.000 0.746 193 E HN 0.400 nan 8.360 nan 0.000 0.450 194 E N 0.088 120.313 120.200 0.041 0.000 2.401 194 E HA -0.128 4.221 4.350 -0.002 0.000 0.199 194 E C -0.206 176.508 176.600 0.190 0.000 1.023 194 E CA 0.372 56.872 56.400 0.166 0.000 0.859 194 E CB -0.243 29.548 29.700 0.153 0.000 0.780 194 E HN 0.385 nan 8.360 nan 0.000 0.523 195 H N -0.805 118.289 119.070 0.039 0.000 2.929 195 H HA -0.146 4.409 4.556 -0.002 0.000 0.341 195 H C -0.292 175.061 175.328 0.040 0.000 1.258 195 H CA 0.653 56.722 56.048 0.034 0.000 1.185 195 H CB -2.048 27.732 29.762 0.031 0.000 1.553 195 H HN 0.152 nan 8.280 nan 0.000 0.438 196 I N 0.102 120.732 120.570 0.100 0.000 2.498 196 I HA 0.491 4.660 4.170 -0.002 0.000 0.290 196 I C 0.897 177.098 176.117 0.140 0.000 1.032 196 I CA -0.764 60.596 61.300 0.098 0.000 1.073 196 I CB 2.003 40.043 38.000 0.066 0.000 1.251 196 I HN 0.328 nan 8.210 nan 0.000 0.426 197 A N 5.216 128.093 122.820 0.095 0.000 2.483 197 A HA 0.441 4.760 4.320 -0.002 0.000 0.238 197 A C -0.428 177.223 177.584 0.112 0.000 1.070 197 A CA 0.511 52.580 52.037 0.053 0.000 0.770 197 A CB -0.224 18.777 19.000 0.003 0.000 1.008 197 A HN 0.971 nan 8.150 nan 0.000 0.497 198 H N -1.366 117.690 119.070 -0.024 0.000 3.068 198 H HA 0.632 5.187 4.556 -0.002 0.000 0.342 198 H C -1.446 173.868 175.328 -0.023 0.000 1.284 198 H CA -0.856 55.177 56.048 -0.026 0.000 1.181 198 H CB 0.758 30.497 29.762 -0.039 0.000 1.898 198 H HN 0.518 nan 8.280 nan 0.000 0.540 199 E N 3.090 123.313 120.200 0.038 0.000 2.113 199 E HA 0.173 4.522 4.350 -0.002 0.000 0.273 199 E C -2.030 174.612 176.600 0.070 0.000 0.924 199 E CA -2.177 54.223 56.400 -0.000 0.000 0.764 199 E CB 1.623 31.320 29.700 -0.005 0.000 1.104 199 E HN 0.454 nan 8.360 nan 0.000 0.406 200 P HA -0.327 nan 4.420 nan 0.000 0.224 200 P C 1.308 178.638 177.300 0.049 0.000 1.130 200 P CA 1.669 64.812 63.100 0.073 0.000 0.976 200 P CB 0.165 31.886 31.700 0.035 0.000 0.781 201 R N -0.306 120.211 120.500 0.028 0.000 2.241 201 R HA -0.026 4.313 4.340 -0.002 0.000 0.224 201 R C 1.876 178.186 176.300 0.017 0.000 1.101 201 R CA 1.688 57.799 56.100 0.018 0.000 0.995 201 R CB -1.148 29.158 30.300 0.009 0.000 0.870 201 R HN 0.158 nan 8.270 nan 0.000 0.463 202 A N 0.279 123.113 122.820 0.025 0.000 2.016 202 A HA 0.087 4.406 4.320 -0.002 0.000 0.217 202 A C 2.023 179.615 177.584 0.013 0.000 1.162 202 A CA 0.742 52.791 52.037 0.019 0.000 0.662 202 A CB -0.240 18.776 19.000 0.026 0.000 0.812 202 A HN 0.347 nan 8.150 nan 0.000 0.450 203 L N -0.843 120.391 121.223 0.019 0.000 2.217 203 L HA -0.138 4.201 4.340 -0.002 0.000 0.211 203 L C 2.702 179.569 176.870 -0.004 0.000 1.107 203 L CA 0.727 55.564 54.840 -0.006 0.000 0.783 203 L CB -0.523 41.528 42.059 -0.013 0.000 0.919 203 L HN 0.369 nan 8.230 nan 0.000 0.442 204 Q N 0.419 120.223 119.800 0.006 0.000 2.050 204 Q HA -0.158 4.181 4.340 -0.002 0.000 0.202 204 Q C 2.377 178.377 176.000 -0.000 0.000 0.980 204 Q CA 1.522 57.328 55.803 0.004 0.000 0.840 204 Q CB -0.407 28.336 28.738 0.008 0.000 0.898 204 Q HN 0.517 nan 8.270 nan 0.000 0.424 205 L N -0.017 121.206 121.223 -0.001 0.000 2.083 205 L HA -0.188 4.151 4.340 -0.002 0.000 0.209 205 L C 2.436 179.303 176.870 -0.006 0.000 1.083 205 L CA 0.880 55.718 54.840 -0.004 0.000 0.752 205 L CB -0.581 41.475 42.059 -0.004 0.000 0.899 205 L HN 0.180 nan 8.230 nan 0.000 0.433 206 L N -0.333 120.885 121.223 -0.009 0.000 2.156 206 L HA -0.115 4.224 4.340 -0.002 0.000 0.208 206 L C 2.820 179.680 176.870 -0.015 0.000 1.095 206 L CA 0.921 55.752 54.840 -0.014 0.000 0.770 206 L CB -0.553 41.493 42.059 -0.023 0.000 0.914 206 L HN 0.211 nan 8.230 nan 0.000 0.439 207 A N -0.414 122.398 122.820 -0.014 0.000 1.929 207 A HA -0.110 4.209 4.320 -0.002 0.000 0.216 207 A C 2.337 179.917 177.584 -0.007 0.000 1.176 207 A CA 0.788 52.818 52.037 -0.012 0.000 0.628 207 A CB -0.234 18.761 19.000 -0.010 0.000 0.816 207 A HN 0.193 nan 8.150 nan 0.000 0.444 208 R N -0.004 120.493 120.500 -0.005 0.000 2.082 208 R HA -0.109 4.230 4.340 -0.002 0.000 0.234 208 R C 2.400 178.699 176.300 -0.002 0.000 1.136 208 R CA 1.592 57.691 56.100 -0.002 0.000 0.935 208 R CB -1.439 28.860 30.300 -0.002 0.000 0.842 208 R HN 0.489 nan 8.270 nan 0.000 0.430 209 A N 1.307 124.125 122.820 -0.003 0.000 2.076 209 A HA -0.079 4.240 4.320 -0.002 0.000 0.220 209 A C 2.297 179.881 177.584 -0.001 0.000 1.160 209 A CA 1.725 53.761 52.037 -0.002 0.000 0.653 209 A CB -0.500 18.497 19.000 -0.004 0.000 0.801 209 A HN 0.394 nan 8.150 nan 0.000 0.455 210 A N -1.287 121.531 122.820 -0.003 0.000 2.067 210 A HA 0.046 4.365 4.320 -0.002 0.000 0.219 210 A C 1.047 178.632 177.584 0.001 0.000 1.158 210 A CA 1.414 53.449 52.037 -0.003 0.000 0.661 210 A CB -0.413 18.582 19.000 -0.008 0.000 0.801 210 A HN 0.701 nan 8.150 nan 0.000 0.452 211 E N -3.189 117.012 120.200 0.003 0.000 2.440 211 E HA -0.230 4.119 4.350 -0.002 0.000 0.246 211 E C 0.808 177.412 176.600 0.006 0.000 1.165 211 E CA 0.776 57.180 56.400 0.006 0.000 0.726 211 E CB -1.628 28.078 29.700 0.010 0.000 1.271 211 E HN 1.591 nan 8.360 nan 0.000 0.397 212 G N -1.183 107.618 108.800 0.002 0.000 2.179 212 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.220 212 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.220 212 G C 0.046 174.944 174.900 -0.003 0.000 0.990 212 G CA 0.348 45.449 45.100 0.001 0.000 0.646 212 G HN 0.965 nan 8.290 nan 0.000 0.517 213 S N -0.341 115.357 115.700 -0.004 0.000 2.519 213 S HA 0.692 5.161 4.470 -0.002 0.000 0.309 213 S C 1.415 176.008 174.600 -0.011 0.000 1.100 213 S CA -0.235 57.961 58.200 -0.006 0.000 1.059 213 S CB 1.571 64.772 63.200 0.001 0.000 1.008 213 S HN 0.399 nan 8.310 nan 0.000 0.478 214 L N 3.908 125.121 121.223 -0.016 0.000 2.046 214 L HA -0.049 4.290 4.340 -0.002 0.000 0.208 214 L C 2.799 179.661 176.870 -0.013 0.000 1.077 214 L CA 1.604 56.433 54.840 -0.020 0.000 0.747 214 L CB -0.284 41.760 42.059 -0.025 0.000 0.896 214 L HN 0.813 nan 8.230 nan 0.000 0.432 215 R N 0.064 120.561 120.500 -0.005 0.000 2.070 215 R HA -0.209 4.130 4.340 -0.002 0.000 0.233 215 R C 1.911 178.213 176.300 0.004 0.000 1.137 215 R CA 2.078 58.180 56.100 0.003 0.000 0.945 215 R CB -0.346 29.959 30.300 0.008 0.000 0.845 215 R HN 0.195 nan 8.270 nan 0.000 0.430 216 D N -0.011 120.391 120.400 0.004 0.000 2.157 216 D HA -0.230 4.409 4.640 -0.002 0.000 0.191 216 D C 1.690 177.989 176.300 -0.001 0.000 1.004 216 D CA 2.092 56.095 54.000 0.005 0.000 0.854 216 D CB -0.271 40.532 40.800 0.005 0.000 0.936 216 D HN 0.483 nan 8.370 nan 0.000 0.446 217 A N -0.171 122.644 122.820 -0.008 0.000 1.898 217 A HA -0.068 4.251 4.320 -0.002 0.000 0.216 217 A C 2.310 179.881 177.584 -0.022 0.000 1.181 217 A CA 0.798 52.825 52.037 -0.018 0.000 0.620 217 A CB -0.605 18.378 19.000 -0.027 0.000 0.819 217 A HN 0.258 nan 8.150 nan 0.000 0.442 218 L N -0.567 120.645 121.223 -0.019 0.000 2.217 218 L HA -0.093 4.246 4.340 -0.002 0.000 0.211 218 L C 2.630 179.503 176.870 0.005 0.000 1.107 218 L CA 1.176 56.006 54.840 -0.017 0.000 0.783 218 L CB -0.336 41.721 42.059 -0.004 0.000 0.919 218 L HN 0.320 nan 8.230 nan 0.000 0.442 219 S N -0.092 115.614 115.700 0.009 0.000 2.406 219 S HA -0.026 4.443 4.470 -0.002 0.000 0.228 219 S C 1.963 176.572 174.600 0.015 0.000 1.020 219 S CA 0.744 58.955 58.200 0.019 0.000 0.965 219 S CB -0.008 63.203 63.200 0.019 0.000 0.798 219 S HN 0.280 nan 8.310 nan 0.000 0.488 220 L N 0.919 122.144 121.223 0.005 0.000 2.056 220 L HA -0.107 4.232 4.340 -0.002 0.000 0.207 220 L C 2.590 179.460 176.870 0.000 0.000 1.078 220 L CA 1.148 55.989 54.840 0.002 0.000 0.749 220 L CB -0.916 41.141 42.059 -0.004 0.000 0.901 220 L HN 0.289 nan 8.230 nan 0.000 0.433 221 T N -1.340 113.210 114.554 -0.007 0.000 2.788 221 T HA -0.221 4.128 4.350 -0.002 0.000 0.268 221 T C 1.582 176.287 174.700 0.008 0.000 1.044 221 T CA 1.436 63.528 62.100 -0.013 0.000 1.139 221 T CB -0.220 68.626 68.868 -0.037 0.000 0.867 221 T HN 0.295 nan 8.240 nan 0.000 0.454 222 D N 0.650 121.065 120.400 0.024 0.000 2.178 222 D HA -0.086 4.553 4.640 -0.002 0.000 0.202 222 D C 2.198 178.521 176.300 0.039 0.000 0.974 222 D CA 0.803 54.833 54.000 0.050 0.000 0.841 222 D CB -0.120 40.725 40.800 0.075 0.000 0.953 222 D HN 0.488 nan 8.370 nan 0.000 0.478 223 Q N 0.112 119.928 119.800 0.027 0.000 2.124 223 Q HA -0.135 4.204 4.340 -0.002 0.000 0.202 223 Q C 2.009 178.016 176.000 0.013 0.000 0.977 223 Q CA 1.468 57.282 55.803 0.019 0.000 0.850 223 Q CB -0.019 28.728 28.738 0.014 0.000 0.901 223 Q HN 0.183 nan 8.270 nan 0.000 0.429 224 A N 1.269 124.094 122.820 0.009 0.000 1.883 224 A HA -0.189 4.130 4.320 -0.002 0.000 0.217 224 A C 1.995 179.585 177.584 0.009 0.000 1.186 224 A CA 1.626 53.667 52.037 0.006 0.000 0.624 224 A CB -0.807 18.194 19.000 0.003 0.000 0.822 224 A HN 0.520 nan 8.150 nan 0.000 0.444 225 I N -0.337 120.242 120.570 0.014 0.000 2.361 225 I HA -0.258 3.911 4.170 -0.002 0.000 0.251 225 I C 2.872 178.994 176.117 0.009 0.000 1.133 225 I CA 1.023 62.332 61.300 0.015 0.000 1.413 225 I CB -0.689 37.326 38.000 0.024 0.000 1.073 225 I HN 0.367 nan 8.210 nan 0.000 0.424 226 A N 1.708 124.534 122.820 0.010 0.000 1.832 226 A HA -0.208 4.111 4.320 -0.002 0.000 0.214 226 A C 2.582 180.166 177.584 0.001 0.000 1.200 226 A CA 2.325 54.364 52.037 0.003 0.000 0.610 226 A CB -1.067 17.938 19.000 0.008 0.000 0.842 226 A HN 0.501 nan 8.150 nan 0.000 0.444 227 S N -0.431 115.270 115.700 0.002 0.000 2.400 227 S HA -0.010 4.459 4.470 -0.002 0.000 0.232 227 S C 1.845 176.444 174.600 -0.002 0.000 1.025 227 S CA 1.378 59.577 58.200 -0.001 0.000 0.993 227 S CB -1.003 62.196 63.200 -0.002 0.000 0.808 227 S HN 0.782 nan 8.310 nan 0.000 0.478 228 G N 0.249 109.049 108.800 0.000 0.000 2.813 228 G HA2 0.118 4.077 3.960 -0.002 0.000 0.209 228 G HA3 0.118 4.077 3.960 -0.002 0.000 0.209 228 G C 0.375 175.275 174.900 -0.000 0.000 1.150 228 G CA 0.526 45.627 45.100 0.001 0.000 0.785 228 G HN 0.484 nan 8.290 nan 0.000 0.535 229 D N -2.357 118.042 120.400 -0.002 0.000 3.103 229 D HA -0.136 4.503 4.640 -0.002 0.000 0.211 229 D C 1.421 177.719 176.300 -0.003 0.000 1.100 229 D CA 1.902 55.900 54.000 -0.004 0.000 0.961 229 D CB -1.340 39.457 40.800 -0.005 0.000 1.093 229 D HN 0.940 nan 8.370 nan 0.000 0.427 230 G N -1.137 107.664 108.800 0.001 0.000 2.905 230 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.196 230 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.196 230 G C 0.135 175.045 174.900 0.016 0.000 1.044 230 G CA 0.163 45.267 45.100 0.006 0.000 0.778 230 G HN 0.413 nan 8.290 nan 0.000 0.474 231 Q N 0.011 119.820 119.800 0.014 0.000 2.226 231 Q HA 0.643 4.982 4.340 -0.002 0.000 0.256 231 Q C -0.614 175.401 176.000 0.025 0.000 0.962 231 Q CA -0.699 55.117 55.803 0.022 0.000 0.887 231 Q CB 3.000 31.747 28.738 0.014 0.000 1.282 231 Q HN 0.081 nan 8.270 nan 0.000 0.449 232 V N 2.744 122.682 119.914 0.041 0.000 2.218 232 V HA 0.110 4.229 4.120 -0.002 0.000 0.261 232 V C -0.038 176.080 176.094 0.041 0.000 1.142 232 V CA -0.100 62.224 62.300 0.040 0.000 0.965 232 V CB 0.155 32.008 31.823 0.050 0.000 1.190 232 V HN 0.779 nan 8.190 nan 0.000 0.478 233 S N 2.478 118.191 115.700 0.021 0.000 2.672 233 S HA 0.292 4.761 4.470 -0.002 0.000 0.276 233 S C 1.260 175.866 174.600 0.010 0.000 1.207 233 S CA -0.134 58.074 58.200 0.013 0.000 1.002 233 S CB 1.612 64.814 63.200 0.003 0.000 0.998 233 S HN 0.481 nan 8.310 nan 0.000 0.542 234 T N 1.698 116.256 114.554 0.006 0.000 2.708 234 T HA -0.137 4.212 4.350 -0.002 0.000 0.266 234 T C 1.958 176.657 174.700 -0.003 0.000 1.037 234 T CA 1.706 63.808 62.100 0.003 0.000 1.146 234 T CB -0.495 68.373 68.868 0.000 0.000 0.865 234 T HN 0.642 nan 8.240 nan 0.000 0.435 235 Q N 0.641 120.438 119.800 -0.005 0.000 2.029 235 Q HA -0.207 4.132 4.340 -0.002 0.000 0.209 235 Q C 2.740 178.735 176.000 -0.009 0.000 0.999 235 Q CA 1.869 57.667 55.803 -0.008 0.000 0.857 235 Q CB -0.466 28.267 28.738 -0.008 0.000 0.926 235 Q HN 0.585 nan 8.270 nan 0.000 0.415 236 A N 0.502 123.319 122.820 -0.006 0.000 1.835 236 A HA -0.151 4.168 4.320 -0.002 0.000 0.215 236 A C 2.400 179.979 177.584 -0.007 0.000 1.199 236 A CA 1.601 53.634 52.037 -0.006 0.000 0.615 236 A CB -1.104 17.895 19.000 -0.002 0.000 0.838 236 A HN 0.213 nan 8.150 nan 0.000 0.444 237 V N 1.240 121.152 119.914 -0.004 0.000 2.250 237 V HA -0.356 3.763 4.120 -0.002 0.000 0.253 237 V C 3.027 179.114 176.094 -0.011 0.000 1.065 237 V CA 2.943 65.240 62.300 -0.006 0.000 1.039 237 V CB -1.091 30.730 31.823 -0.002 0.000 0.647 237 V HN 0.865 nan 8.190 nan 0.000 0.446 238 S N 0.231 115.923 115.700 -0.013 0.000 2.442 238 S HA -0.097 4.372 4.470 -0.002 0.000 0.236 238 S C 1.841 176.426 174.600 -0.026 0.000 1.007 238 S CA 1.338 59.527 58.200 -0.018 0.000 0.965 238 S CB -0.370 62.819 63.200 -0.017 0.000 0.773 238 S HN 0.663 nan 8.310 nan 0.000 0.504 239 A N 1.330 124.135 122.820 -0.024 0.000 2.030 239 A HA 0.394 4.713 4.320 -0.002 0.000 0.215 239 A C 2.123 179.689 177.584 -0.030 0.000 1.164 239 A CA 0.793 52.812 52.037 -0.029 0.000 0.697 239 A CB -0.468 18.518 19.000 -0.025 0.000 0.827 239 A HN 0.620 nan 8.150 nan 0.000 0.457 240 M N -0.874 118.712 119.600 -0.022 0.000 2.287 240 M HA 0.146 4.625 4.480 -0.002 0.000 0.266 240 M C 1.428 177.715 176.300 -0.021 0.000 1.079 240 M CA 1.361 56.649 55.300 -0.019 0.000 1.146 240 M CB -0.121 32.472 32.600 -0.011 0.000 1.374 240 M HN 0.290 nan 8.290 nan 0.000 0.435 241 L N 0.451 121.661 121.223 -0.021 0.000 2.313 241 L HA 0.093 4.432 4.340 -0.002 0.000 0.214 241 L C 1.360 178.209 176.870 -0.035 0.000 1.119 241 L CA 0.852 55.679 54.840 -0.022 0.000 0.809 241 L CB -0.465 41.583 42.059 -0.018 0.000 0.933 241 L HN 0.752 nan 8.230 nan 0.000 0.449 242 G N -0.003 108.769 108.800 -0.046 0.000 2.136 242 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.242 242 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.242 242 G C 0.366 175.223 174.900 -0.071 0.000 0.989 242 G CA 0.284 45.342 45.100 -0.071 0.000 0.682 242 G HN 0.268 nan 8.290 nan 0.000 0.522 243 T N 0.412 114.937 114.554 -0.049 0.000 2.856 243 T HA 0.347 4.696 4.350 -0.002 0.000 0.329 243 T C 0.856 175.527 174.700 -0.048 0.000 1.094 243 T CA 0.311 62.387 62.100 -0.040 0.000 1.112 243 T CB 0.913 69.764 68.868 -0.028 0.000 1.009 243 T HN 0.340 nan 8.240 nan 0.000 0.550 244 L N 2.598 123.798 121.223 -0.039 0.000 2.317 244 L HA 0.327 4.666 4.340 -0.002 0.000 0.281 244 L C 0.239 177.091 176.870 -0.029 0.000 1.024 244 L CA -1.121 53.695 54.840 -0.040 0.000 0.810 244 L CB 1.276 43.315 42.059 -0.034 0.000 1.240 244 L HN 0.745 nan 8.230 nan 0.000 0.427 245 D N 1.306 121.688 120.400 -0.031 0.000 2.343 245 D HA -0.058 4.581 4.640 -0.002 0.000 0.255 245 D C 0.445 176.734 176.300 -0.018 0.000 1.187 245 D CA -0.306 53.680 54.000 -0.023 0.000 0.875 245 D CB 1.378 42.163 40.800 -0.025 0.000 1.136 245 D HN 0.425 nan 8.370 nan 0.000 0.469 246 D N 1.879 122.272 120.400 -0.011 0.000 2.228 246 D HA -0.221 4.418 4.640 -0.002 0.000 0.203 246 D C 1.082 177.378 176.300 -0.007 0.000 0.988 246 D CA 0.898 54.894 54.000 -0.007 0.000 0.864 246 D CB 0.171 40.970 40.800 -0.002 0.000 0.928 246 D HN 0.574 nan 8.370 nan 0.000 0.469 247 D N 0.398 120.793 120.400 -0.009 0.000 2.106 247 D HA -0.197 4.442 4.640 -0.002 0.000 0.194 247 D C 1.921 178.215 176.300 -0.009 0.000 0.988 247 D CA 1.477 55.472 54.000 -0.009 0.000 0.845 247 D CB -0.459 40.335 40.800 -0.009 0.000 0.990 247 D HN 0.120 nan 8.370 nan 0.000 0.448 248 Q N -0.652 119.141 119.800 -0.012 0.000 2.362 248 Q HA -0.328 4.011 4.340 -0.002 0.000 0.216 248 Q C 1.790 177.787 176.000 -0.005 0.000 1.002 248 Q CA 2.120 57.917 55.803 -0.010 0.000 0.937 248 Q CB -0.284 28.443 28.738 -0.019 0.000 0.937 248 Q HN 0.406 nan 8.270 nan 0.000 0.424 249 A N -0.084 122.733 122.820 -0.005 0.000 1.835 249 A HA -0.135 4.184 4.320 -0.002 0.000 0.213 249 A C 1.847 179.429 177.584 -0.003 0.000 1.210 249 A CA 1.069 53.107 52.037 0.001 0.000 0.605 249 A CB -0.915 18.087 19.000 0.003 0.000 0.860 249 A HN 0.431 nan 8.150 nan 0.000 0.447 250 L N 0.537 121.757 121.223 -0.005 0.000 2.010 250 L HA -0.228 4.111 4.340 -0.002 0.000 0.219 250 L C 2.475 179.333 176.870 -0.021 0.000 1.077 250 L CA 2.777 57.610 54.840 -0.012 0.000 0.773 250 L CB -1.042 41.012 42.059 -0.008 0.000 0.892 250 L HN 0.349 nan 8.230 nan 0.000 0.436 251 S N -0.729 114.961 115.700 -0.016 0.000 2.389 251 S HA -0.259 4.210 4.470 -0.002 0.000 0.231 251 S C 1.943 176.527 174.600 -0.026 0.000 1.052 251 S CA 1.968 60.157 58.200 -0.019 0.000 1.053 251 S CB -0.509 62.684 63.200 -0.011 0.000 0.886 251 S HN 0.493 nan 8.310 nan 0.000 0.456 252 L N 0.448 121.658 121.223 -0.022 0.000 2.049 252 L HA -0.049 4.290 4.340 -0.002 0.000 0.203 252 L C 2.311 179.142 176.870 -0.064 0.000 1.074 252 L CA 0.779 55.601 54.840 -0.029 0.000 0.749 252 L CB -0.461 41.594 42.059 -0.006 0.000 0.907 252 L HN 0.173 nan 8.230 nan 0.000 0.439 253 V N 0.207 120.082 119.914 -0.064 0.000 2.278 253 V HA -0.393 3.726 4.120 -0.002 0.000 0.251 253 V C 2.380 178.394 176.094 -0.132 0.000 1.062 253 V CA 2.147 64.384 62.300 -0.105 0.000 1.038 253 V CB -0.485 31.296 31.823 -0.070 0.000 0.646 253 V HN 0.485 nan 8.190 nan 0.000 0.447 254 E N -0.176 119.971 120.200 -0.088 0.000 2.007 254 E HA -0.217 4.132 4.350 -0.002 0.000 0.194 254 E C 2.293 178.833 176.600 -0.100 0.000 0.999 254 E CA 1.345 57.694 56.400 -0.085 0.000 0.811 254 E CB -0.413 29.255 29.700 -0.053 0.000 0.762 254 E HN 0.583 nan 8.360 nan 0.000 0.450 255 A N 1.162 123.935 122.820 -0.077 0.000 2.076 255 A HA -0.206 4.113 4.320 -0.002 0.000 0.220 255 A C 2.032 179.558 177.584 -0.097 0.000 1.160 255 A CA 1.308 53.302 52.037 -0.072 0.000 0.653 255 A CB -0.525 18.448 19.000 -0.045 0.000 0.801 255 A HN 0.293 nan 8.150 nan 0.000 0.455 256 M N 0.161 119.677 119.600 -0.141 0.000 2.200 256 M HA -0.088 4.391 4.480 -0.002 0.000 0.265 256 M C 1.904 178.067 176.300 -0.228 0.000 1.066 256 M CA 2.160 57.350 55.300 -0.184 0.000 1.127 256 M CB -0.098 32.346 32.600 -0.260 0.000 1.379 256 M HN 0.412 nan 8.290 nan 0.000 0.420 257 V N -2.725 117.016 119.914 -0.288 0.000 3.235 257 V HA 0.030 4.149 4.120 -0.002 0.000 0.259 257 V C 1.151 177.072 176.094 -0.287 0.000 1.133 257 V CA 0.956 63.095 62.300 -0.268 0.000 1.128 257 V CB -0.884 30.779 31.823 -0.268 0.000 0.757 257 V HN 0.428 nan 8.190 nan 0.000 0.469 258 E N 1.333 121.395 120.200 -0.229 0.000 2.511 258 E HA 0.376 4.725 4.350 -0.002 0.000 0.196 258 E C 1.503 178.005 176.600 -0.163 0.000 1.066 258 E CA 0.537 56.801 56.400 -0.227 0.000 0.871 258 E CB -0.107 29.528 29.700 -0.108 0.000 0.863 258 E HN 0.819 nan 8.360 nan 0.000 0.520 259 A N 1.778 124.530 122.820 -0.113 0.000 2.829 259 A HA -0.251 4.068 4.320 -0.002 0.000 0.267 259 A C 0.694 178.294 177.584 0.027 0.000 1.370 259 A CA 0.864 52.919 52.037 0.029 0.000 0.900 259 A CB -2.173 16.926 19.000 0.166 0.000 1.044 259 A HN 0.359 nan 8.150 nan 0.000 0.691 260 N N 0.742 119.436 118.700 -0.009 0.000 2.671 260 N HA 0.317 5.056 4.740 -0.002 0.000 0.274 260 N C 1.380 176.889 175.510 -0.002 0.000 1.188 260 N CA 0.906 53.955 53.050 -0.001 0.000 1.065 260 N CB -0.333 38.146 38.487 -0.013 0.000 1.415 260 N HN 0.493 nan 8.380 nan 0.000 0.511 261 G N 2.014 110.820 108.800 0.009 0.000 2.446 261 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.217 261 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.217 261 G C 1.061 175.962 174.900 0.001 0.000 1.168 261 G CA 0.656 45.759 45.100 0.005 0.000 0.771 261 G HN 0.680 nan 8.290 nan 0.000 0.551 262 E N 0.256 120.460 120.200 0.005 0.000 2.110 262 E HA -0.179 4.170 4.350 -0.002 0.000 0.193 262 E C 2.455 179.057 176.600 0.003 0.000 0.988 262 E CA 1.055 57.458 56.400 0.005 0.000 0.804 262 E CB -0.119 29.586 29.700 0.007 0.000 0.745 262 E HN 0.461 nan 8.360 nan 0.000 0.458 263 R N 0.023 120.523 120.500 0.000 0.000 2.075 263 R HA -0.039 4.300 4.340 -0.002 0.000 0.226 263 R C 2.337 178.636 176.300 -0.001 0.000 1.114 263 R CA 0.979 57.078 56.100 -0.001 0.000 0.972 263 R CB -0.245 30.052 30.300 -0.005 0.000 0.869 263 R HN 0.056 nan 8.270 nan 0.000 0.437 264 V N 0.984 120.893 119.914 -0.008 0.000 2.252 264 V HA -0.325 3.794 4.120 -0.002 0.000 0.249 264 V C 2.338 178.433 176.094 0.002 0.000 1.056 264 V CA 1.873 64.167 62.300 -0.011 0.000 1.022 264 V CB -0.322 31.486 31.823 -0.025 0.000 0.641 264 V HN 0.393 nan 8.190 nan 0.000 0.445 265 M N -0.499 119.100 119.600 -0.001 0.000 2.117 265 M HA -0.108 4.371 4.480 -0.002 0.000 0.262 265 M C 2.313 178.624 176.300 0.018 0.000 1.065 265 M CA 2.235 57.536 55.300 0.003 0.000 1.114 265 M CB -1.526 31.072 32.600 -0.003 0.000 1.361 265 M HN 0.414 nan 8.290 nan 0.000 0.408 266 A N -0.593 122.237 122.820 0.017 0.000 2.066 266 A HA -0.046 4.273 4.320 -0.002 0.000 0.218 266 A C 2.192 179.794 177.584 0.030 0.000 1.157 266 A CA 0.845 52.895 52.037 0.022 0.000 0.670 266 A CB -0.569 18.439 19.000 0.014 0.000 0.804 266 A HN 0.362 nan 8.150 nan 0.000 0.453 267 L N -0.541 120.700 121.223 0.030 0.000 2.072 267 L HA 0.053 4.392 4.340 -0.002 0.000 0.205 267 L C 2.202 179.115 176.870 0.072 0.000 1.079 267 L CA 1.296 56.159 54.840 0.037 0.000 0.752 267 L CB -0.369 41.705 42.059 0.025 0.000 0.906 267 L HN 0.390 nan 8.230 nan 0.000 0.436 268 I N -0.496 120.133 120.570 0.098 0.000 2.286 268 I HA -0.321 3.848 4.170 -0.002 0.000 0.248 268 I C 2.359 178.610 176.117 0.224 0.000 1.115 268 I CA 1.091 62.508 61.300 0.195 0.000 1.392 268 I CB -0.301 37.776 38.000 0.128 0.000 1.065 268 I HN 0.401 nan 8.210 nan 0.000 0.418 269 N N 0.904 119.680 118.700 0.126 0.000 2.106 269 N HA -0.200 4.538 4.740 -0.002 0.000 0.188 269 N C 1.655 177.219 175.510 0.089 0.000 1.029 269 N CA 1.560 54.676 53.050 0.109 0.000 0.848 269 N CB 0.008 38.532 38.487 0.063 0.000 1.007 269 N HN 0.444 nan 8.380 nan 0.000 0.423 270 E N 0.214 120.450 120.200 0.059 0.000 2.268 270 E HA -0.060 4.289 4.350 -0.002 0.000 0.195 270 E C 1.826 178.437 176.600 0.019 0.000 0.995 270 E CA 0.794 57.214 56.400 0.032 0.000 0.836 270 E CB -0.051 29.660 29.700 0.018 0.000 0.763 270 E HN 0.375 nan 8.360 nan 0.000 0.491 271 A N 1.485 124.328 122.820 0.037 0.000 1.968 271 A HA 0.045 4.364 4.320 -0.002 0.000 0.217 271 A C 2.360 179.882 177.584 -0.104 0.000 1.169 271 A CA 1.284 53.297 52.037 -0.038 0.000 0.638 271 A CB -0.337 18.657 19.000 -0.010 0.000 0.812 271 A HN 0.283 nan 8.150 nan 0.000 0.446 272 A N -0.213 122.653 122.820 0.077 0.000 1.970 272 A HA 0.320 4.639 4.320 -0.002 0.000 0.216 272 A C 2.414 180.024 177.584 0.043 0.000 1.170 272 A CA 1.550 53.670 52.037 0.137 0.000 0.645 272 A CB -0.793 18.413 19.000 0.343 0.000 0.816 272 A HN 0.856 nan 8.150 nan 0.000 0.447 273 A N 0.239 123.078 122.820 0.031 0.000 1.845 273 A HA -0.177 4.142 4.320 -0.002 0.000 0.215 273 A C 2.172 179.738 177.584 -0.031 0.000 1.195 273 A CA 1.564 53.604 52.037 0.006 0.000 0.616 273 A CB -0.561 18.444 19.000 0.009 0.000 0.832 273 A HN 0.476 nan 8.150 nan 0.000 0.443 274 R N -1.163 119.305 120.500 -0.054 0.000 2.303 274 R HA 0.004 4.343 4.340 -0.002 0.000 0.225 274 R C 0.976 177.209 176.300 -0.113 0.000 1.114 274 R CA 0.606 56.660 56.100 -0.077 0.000 1.007 274 R CB -0.477 29.775 30.300 -0.081 0.000 0.861 274 R HN 0.876 nan 8.270 nan 0.000 0.471 275 G N 1.368 110.077 108.800 -0.152 0.000 2.401 275 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.283 275 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.283 275 G C -0.166 174.561 174.900 -0.287 0.000 1.117 275 G CA -0.320 44.669 45.100 -0.185 0.000 1.051 275 G HN 0.221 nan 8.290 nan 0.000 0.510 276 I N 0.119 120.399 120.570 -0.484 0.000 2.440 276 I HA 0.281 4.450 4.170 -0.002 0.000 0.294 276 I C 0.944 176.672 176.117 -0.649 0.000 0.995 276 I CA -0.500 60.497 61.300 -0.504 0.000 1.306 276 I CB 1.195 38.894 38.000 -0.500 0.000 1.407 276 I HN 0.349 nan 8.210 nan 0.000 0.501 277 E N 5.390 125.368 120.200 -0.369 0.000 2.217 277 E HA -0.025 4.324 4.350 -0.002 0.000 0.279 277 E C -0.060 176.412 176.600 -0.213 0.000 1.068 277 E CA -0.051 56.180 56.400 -0.282 0.000 0.882 277 E CB 0.513 30.146 29.700 -0.112 0.000 1.039 277 E HN 0.525 nan 8.360 nan 0.000 0.418 278 W N 3.491 124.788 121.300 -0.005 0.000 2.342 278 W HA -0.158 4.501 4.660 -0.001 0.000 0.297 278 W C 2.035 178.550 176.519 -0.007 0.000 1.213 278 W CA 0.521 57.861 57.345 -0.007 0.000 1.251 278 W CB 0.033 29.489 29.460 -0.006 0.000 1.136 278 W HN 0.660 nan 8.180 nan 0.000 0.526 279 E N 0.357 120.680 120.200 0.204 0.000 2.204 279 E HA -0.199 4.150 4.350 -0.002 0.000 0.195 279 E C 2.190 178.837 176.600 0.077 0.000 0.990 279 E CA 1.172 57.645 56.400 0.121 0.000 0.821 279 E CB -0.135 29.616 29.700 0.086 0.000 0.750 279 E HN 0.261 nan 8.360 nan 0.000 0.477 280 A N 0.374 123.224 122.820 0.050 0.000 2.016 280 A HA -0.064 4.255 4.320 -0.002 0.000 0.217 280 A C 1.969 179.564 177.584 0.018 0.000 1.162 280 A CA 0.389 52.435 52.037 0.015 0.000 0.662 280 A CB -0.221 18.767 19.000 -0.020 0.000 0.812 280 A HN 0.255 nan 8.150 nan 0.000 0.450 281 L N -0.241 121.006 121.223 0.041 0.000 1.988 281 L HA -0.052 4.287 4.340 -0.002 0.000 0.207 281 L C 2.364 179.274 176.870 0.066 0.000 1.071 281 L CA 1.476 56.352 54.840 0.059 0.000 0.744 281 L CB -0.391 41.748 42.059 0.133 0.000 0.893 281 L HN 0.389 nan 8.230 nan 0.000 0.433 282 L N -1.433 119.842 121.223 0.087 0.000 2.089 282 L HA -0.294 4.045 4.340 -0.002 0.000 0.213 282 L C 2.378 179.262 176.870 0.024 0.000 1.079 282 L CA 1.242 56.111 54.840 0.048 0.000 0.758 282 L CB -0.573 41.514 42.059 0.047 0.000 0.891 282 L HN 0.169 nan 8.230 nan 0.000 0.433 283 V N -0.661 119.270 119.914 0.028 0.000 2.591 283 V HA -0.216 3.903 4.120 -0.002 0.000 0.249 283 V C 2.359 178.469 176.094 0.027 0.000 1.053 283 V CA 1.628 63.939 62.300 0.019 0.000 1.068 283 V CB -0.062 31.770 31.823 0.017 0.000 0.689 283 V HN 0.426 nan 8.190 nan 0.000 0.462 284 E N -0.047 120.169 120.200 0.027 0.000 2.106 284 E HA -0.170 4.179 4.350 -0.002 0.000 0.192 284 E C 2.209 178.834 176.600 0.042 0.000 0.984 284 E CA 1.399 57.817 56.400 0.030 0.000 0.806 284 E CB -0.164 29.547 29.700 0.018 0.000 0.750 284 E HN 0.470 nan 8.360 nan 0.000 0.458 285 M N -0.123 119.499 119.600 0.037 0.000 2.132 285 M HA -0.119 4.360 4.480 -0.002 0.000 0.263 285 M C 2.218 178.561 176.300 0.071 0.000 1.065 285 M CA 1.108 56.431 55.300 0.038 0.000 1.122 285 M CB -0.295 32.316 32.600 0.019 0.000 1.365 285 M HN 0.234 nan 8.290 nan 0.000 0.411 286 L N -0.359 120.903 121.223 0.065 0.000 2.042 286 L HA -0.168 4.171 4.340 -0.002 0.000 0.210 286 L C 2.633 179.634 176.870 0.220 0.000 1.076 286 L CA 1.456 56.370 54.840 0.123 0.000 0.749 286 L CB -1.202 40.868 42.059 0.018 0.000 0.893 286 L HN 0.405 nan 8.230 nan 0.000 0.432 287 G N -0.320 108.563 108.800 0.137 0.000 2.408 287 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.217 287 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.217 287 G C 1.616 176.622 174.900 0.175 0.000 1.150 287 G CA 0.371 45.555 45.100 0.140 0.000 0.776 287 G HN 0.193 nan 8.290 nan 0.000 0.542 288 L N -0.063 121.235 121.223 0.125 0.000 2.007 288 L HA 0.043 4.382 4.340 -0.002 0.000 0.205 288 L C 2.881 179.814 176.870 0.105 0.000 1.073 288 L CA 0.527 55.423 54.840 0.094 0.000 0.744 288 L CB -0.603 41.487 42.059 0.052 0.000 0.898 288 L HN 0.126 nan 8.230 nan 0.000 0.435 289 L N -0.329 120.970 121.223 0.127 0.000 2.123 289 L HA -0.374 3.965 4.340 -0.002 0.000 0.217 289 L C 2.745 179.699 176.870 0.140 0.000 1.081 289 L CA 1.787 56.719 54.840 0.155 0.000 0.772 289 L CB -1.034 41.179 42.059 0.257 0.000 0.890 289 L HN 0.548 nan 8.230 nan 0.000 0.437 290 H N -0.024 119.095 119.070 0.082 0.000 2.307 290 H HA -0.110 4.445 4.556 -0.002 0.000 0.303 290 H C 2.379 177.706 175.328 -0.001 0.000 1.073 290 H CA 1.017 57.069 56.048 0.006 0.000 1.338 290 H CB 0.173 29.953 29.762 0.031 0.000 1.389 290 H HN 0.106 nan 8.280 nan 0.000 0.503 291 R N 1.076 121.551 120.500 -0.043 0.000 2.196 291 R HA -0.170 4.169 4.340 -0.002 0.000 0.227 291 R C 2.769 178.979 176.300 -0.150 0.000 1.108 291 R CA 1.485 57.518 56.100 -0.111 0.000 0.884 291 R CB -1.324 28.983 30.300 0.012 0.000 0.839 291 R HN 0.469 nan 8.270 nan 0.000 0.431 292 I N 0.396 120.932 120.570 -0.058 0.000 2.805 292 I HA -0.452 3.717 4.170 -0.002 0.000 0.209 292 I C 2.346 178.421 176.117 -0.071 0.000 0.894 292 I CA 2.261 63.536 61.300 -0.042 0.000 1.196 292 I CB -0.930 37.070 38.000 -0.001 0.000 0.913 292 I HN 0.337 nan 8.210 nan 0.000 0.358 293 A N 0.077 122.851 122.820 -0.076 0.000 1.985 293 A HA -0.293 4.026 4.320 -0.002 0.000 0.223 293 A C 2.318 179.823 177.584 -0.131 0.000 1.189 293 A CA 2.491 54.474 52.037 -0.091 0.000 0.658 293 A CB -0.628 18.307 19.000 -0.109 0.000 0.820 293 A HN 0.508 nan 8.150 nan 0.000 0.464 294 M N -1.322 118.149 119.600 -0.215 0.000 2.123 294 M HA -0.077 4.402 4.480 -0.002 0.000 0.263 294 M C 2.263 178.493 176.300 -0.117 0.000 1.069 294 M CA 1.274 56.447 55.300 -0.212 0.000 1.133 294 M CB -0.839 31.560 32.600 -0.335 0.000 1.356 294 M HN 0.287 nan 8.290 nan 0.000 0.415 295 V N 0.721 120.577 119.914 -0.098 0.000 2.407 295 V HA -0.281 3.838 4.120 -0.002 0.000 0.248 295 V C 2.251 178.320 176.094 -0.041 0.000 1.055 295 V CA 1.568 63.834 62.300 -0.056 0.000 1.049 295 V CB -0.749 31.049 31.823 -0.042 0.000 0.662 295 V HN 0.540 nan 8.190 nan 0.000 0.455 296 Q N -0.884 118.892 119.800 -0.041 0.000 2.268 296 Q HA -0.274 4.065 4.340 -0.002 0.000 0.210 296 Q C 2.072 178.055 176.000 -0.028 0.000 0.988 296 Q CA 1.710 57.496 55.803 -0.027 0.000 0.883 296 Q CB -0.300 28.424 28.738 -0.023 0.000 0.911 296 Q HN 0.497 nan 8.270 nan 0.000 0.430 297 L N 0.274 121.473 121.223 -0.040 0.000 1.960 297 L HA -0.042 4.297 4.340 -0.002 0.000 0.209 297 L C 0.890 177.744 176.870 -0.026 0.000 1.090 297 L CA 1.521 56.341 54.840 -0.033 0.000 0.759 297 L CB -0.209 41.825 42.059 -0.042 0.000 0.892 297 L HN 0.112 nan 8.230 nan 0.000 0.436 298 S N -1.849 113.835 115.700 -0.027 0.000 2.482 298 S HA 0.461 4.930 4.470 -0.002 0.000 0.303 298 S C -1.981 172.607 174.600 -0.020 0.000 1.091 298 S CA -1.309 56.879 58.200 -0.020 0.000 1.057 298 S CB 1.344 64.535 63.200 -0.015 0.000 1.031 298 S HN 0.053 nan 8.310 nan 0.000 0.485 299 P HA -0.101 nan 4.420 nan 0.000 0.218 299 P C 1.360 178.653 177.300 -0.011 0.000 1.146 299 P CA 1.725 64.818 63.100 -0.012 0.000 0.820 299 P CB -0.079 31.616 31.700 -0.008 0.000 0.778 300 A N -0.233 122.581 122.820 -0.010 0.000 2.014 300 A HA 0.076 4.395 4.320 -0.002 0.000 0.218 300 A C 2.203 179.783 177.584 -0.007 0.000 1.163 300 A CA 1.362 53.395 52.037 -0.007 0.000 0.652 300 A CB -1.251 17.746 19.000 -0.005 0.000 0.808 300 A HN 0.200 nan 8.150 nan 0.000 0.449 301 A N -0.790 122.022 122.820 -0.013 0.000 2.172 301 A HA 0.233 4.552 4.320 -0.002 0.000 0.216 301 A C 0.983 178.561 177.584 -0.010 0.000 1.154 301 A CA 0.403 52.432 52.037 -0.014 0.000 0.701 301 A CB -0.588 18.393 19.000 -0.031 0.000 0.789 301 A HN 0.609 nan 8.150 nan 0.000 0.465 302 L N 0.786 122.002 121.223 -0.011 0.000 2.410 302 L HA 0.529 4.868 4.340 -0.002 0.000 0.273 302 L C 0.842 177.716 176.870 0.006 0.000 1.152 302 L CA -0.040 54.798 54.840 -0.003 0.000 0.855 302 L CB 0.222 42.278 42.059 -0.005 0.000 1.129 302 L HN 0.165 nan 8.230 nan 0.000 0.463 303 G N 3.357 112.166 108.800 0.014 0.000 2.554 303 G HA2 -0.023 3.936 3.960 -0.002 0.000 0.238 303 G HA3 -0.023 3.936 3.960 -0.002 0.000 0.238 303 G C 0.740 175.646 174.900 0.010 0.000 1.259 303 G CA -0.330 44.779 45.100 0.015 0.000 0.843 303 G HN 0.839 nan 8.290 nan 0.000 0.582 304 N N 0.833 119.539 118.700 0.009 0.000 2.137 304 N HA -0.129 4.610 4.740 -0.002 0.000 0.190 304 N C 1.819 177.334 175.510 0.008 0.000 1.017 304 N CA 1.490 54.544 53.050 0.007 0.000 0.859 304 N CB -0.059 38.432 38.487 0.007 0.000 1.002 304 N HN 0.668 nan 8.380 nan 0.000 0.428 305 D N -0.115 120.291 120.400 0.010 0.000 2.309 305 D HA -0.137 4.502 4.640 -0.002 0.000 0.212 305 D C 1.342 177.648 176.300 0.010 0.000 0.968 305 D CA 0.728 54.734 54.000 0.011 0.000 0.882 305 D CB -0.078 40.731 40.800 0.014 0.000 0.918 305 D HN 0.384 nan 8.370 nan 0.000 0.503 306 M N -0.046 119.560 119.600 0.010 0.000 2.414 306 M HA 0.263 4.742 4.480 -0.002 0.000 0.251 306 M C 2.237 178.541 176.300 0.006 0.000 1.116 306 M CA 0.063 55.369 55.300 0.010 0.000 1.056 306 M CB -0.005 32.602 32.600 0.012 0.000 1.388 306 M HN -0.053 nan 8.290 nan 0.000 0.487 307 A N 1.912 124.735 122.820 0.005 0.000 1.925 307 A HA -0.359 3.960 4.320 -0.002 0.000 0.244 307 A C 2.381 179.967 177.584 0.002 0.000 1.963 307 A CA 3.231 55.270 52.037 0.003 0.000 0.753 307 A CB -1.306 17.696 19.000 0.003 0.000 0.842 307 A HN 0.552 nan 8.150 nan 0.000 0.530 308 A N -1.091 121.730 122.820 0.002 0.000 1.902 308 A HA -0.007 4.312 4.320 -0.002 0.000 0.217 308 A C 2.126 179.710 177.584 0.000 0.000 1.181 308 A CA 1.675 53.712 52.037 0.001 0.000 0.623 308 A CB -0.530 18.470 19.000 -0.000 0.000 0.818 308 A HN 0.632 nan 8.150 nan 0.000 0.443 309 I N 0.043 120.614 120.570 0.002 0.000 2.876 309 I HA -0.163 4.006 4.170 -0.002 0.000 0.264 309 I C 2.330 178.447 176.117 0.001 0.000 1.204 309 I CA 1.094 62.395 61.300 0.001 0.000 1.485 309 I CB -0.390 37.612 38.000 0.003 0.000 1.103 309 I HN 0.632 nan 8.210 nan 0.000 0.446 310 E N 1.664 121.865 120.200 0.002 0.000 2.233 310 E HA -0.294 4.055 4.350 -0.002 0.000 0.199 310 E C 2.139 178.739 176.600 0.000 0.000 1.004 310 E CA 1.454 57.855 56.400 0.001 0.000 0.819 310 E CB -0.345 29.356 29.700 0.002 0.000 0.738 310 E HN 0.383 nan 8.360 nan 0.000 0.478 311 L N 0.969 122.192 121.223 -0.000 0.000 2.056 311 L HA -0.063 4.276 4.340 -0.002 0.000 0.207 311 L C 2.498 179.367 176.870 -0.001 0.000 1.078 311 L CA 1.717 56.556 54.840 -0.001 0.000 0.749 311 L CB -0.205 41.854 42.059 -0.001 0.000 0.901 311 L HN 0.045 nan 8.230 nan 0.000 0.433 312 R N -1.831 118.668 120.500 -0.002 0.000 2.193 312 R HA -0.021 4.318 4.340 -0.002 0.000 0.213 312 R C 2.053 178.351 176.300 -0.004 0.000 1.055 312 R CA 0.748 56.846 56.100 -0.004 0.000 0.995 312 R CB -0.143 30.153 30.300 -0.006 0.000 0.893 312 R HN 0.326 nan 8.270 nan 0.000 0.459 313 M N 0.423 120.022 119.600 -0.002 0.000 2.064 313 M HA -0.116 4.363 4.480 -0.002 0.000 0.260 313 M C 2.094 178.393 176.300 -0.002 0.000 1.073 313 M CA 1.632 56.931 55.300 -0.002 0.000 1.124 313 M CB -0.682 31.918 32.600 0.000 0.000 1.326 313 M HN 0.025 nan 8.290 nan 0.000 0.410 314 R N 0.228 120.727 120.500 -0.002 0.000 2.117 314 R HA -0.151 4.188 4.340 -0.002 0.000 0.243 314 R C 1.942 178.243 176.300 0.001 0.000 1.143 314 R CA 1.073 57.172 56.100 -0.002 0.000 0.968 314 R CB -0.715 29.584 30.300 -0.001 0.000 0.863 314 R HN 0.492 nan 8.270 nan 0.000 0.444 315 E N 1.048 121.249 120.200 0.001 0.000 2.023 315 E HA -0.147 4.202 4.350 -0.002 0.000 0.196 315 E C 2.311 178.915 176.600 0.007 0.000 1.003 315 E CA 0.898 57.300 56.400 0.004 0.000 0.809 315 E CB -0.378 29.323 29.700 0.002 0.000 0.755 315 E HN 0.282 nan 8.360 nan 0.000 0.449 316 L N 0.733 121.958 121.223 0.003 0.000 2.051 316 L HA -0.274 4.065 4.340 -0.002 0.000 0.214 316 L C 2.569 179.449 176.870 0.017 0.000 1.076 316 L CA 1.439 56.283 54.840 0.006 0.000 0.758 316 L CB -0.525 41.532 42.059 -0.003 0.000 0.890 316 L HN 0.104 nan 8.230 nan 0.000 0.433 317 A N 0.077 122.903 122.820 0.010 0.000 1.883 317 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 317 A C 2.355 179.948 177.584 0.014 0.000 1.186 317 A CA 1.784 53.826 52.037 0.008 0.000 0.624 317 A CB -0.475 18.523 19.000 -0.003 0.000 0.822 317 A HN 0.387 nan 8.150 nan 0.000 0.444 318 R N -1.049 119.458 120.500 0.012 0.000 2.115 318 R HA -0.034 4.305 4.340 -0.002 0.000 0.226 318 R C 2.134 178.448 176.300 0.024 0.000 1.100 318 R CA 1.634 57.743 56.100 0.015 0.000 0.980 318 R CB -0.559 29.747 30.300 0.011 0.000 0.875 318 R HN 0.548 nan 8.270 nan 0.000 0.445 319 T N 1.284 115.856 114.554 0.030 0.000 2.770 319 T HA 0.104 4.453 4.350 -0.002 0.000 0.258 319 T C 1.125 175.864 174.700 0.064 0.000 1.039 319 T CA 0.638 62.764 62.100 0.044 0.000 1.143 319 T CB 0.067 68.960 68.868 0.043 0.000 0.866 319 T HN 0.016 nan 8.240 nan 0.000 0.428 320 I N 3.327 123.940 120.570 0.073 0.000 2.428 320 I HA 0.272 4.441 4.170 -0.002 0.000 0.289 320 I C -2.507 173.663 176.117 0.088 0.000 1.019 320 I CA -2.653 58.712 61.300 0.109 0.000 1.351 320 I CB 0.973 39.055 38.000 0.136 0.000 1.412 320 I HN -0.001 nan 8.210 nan 0.000 0.513 321 P HA 0.202 nan 4.420 nan 0.000 0.275 321 P C -2.185 175.145 177.300 0.050 0.000 1.227 321 P CA -1.506 61.625 63.100 0.052 0.000 0.781 321 P CB 0.208 31.930 31.700 0.037 0.000 0.906 322 P HA -0.242 nan 4.420 nan 0.000 0.217 322 P C 1.418 178.732 177.300 0.022 0.000 1.162 322 P CA 2.150 65.262 63.100 0.020 0.000 0.901 322 P CB -0.541 31.160 31.700 0.002 0.000 0.793 323 T N -0.669 113.889 114.554 0.008 0.000 2.699 323 T HA -0.174 4.175 4.350 -0.002 0.000 0.268 323 T C 1.265 175.960 174.700 -0.008 0.000 1.036 323 T CA 1.879 63.975 62.100 -0.007 0.000 1.147 323 T CB -0.993 67.861 68.868 -0.024 0.000 0.862 323 T HN 0.171 nan 8.240 nan 0.000 0.446 324 D N 0.216 120.619 120.400 0.004 0.000 2.317 324 D HA 0.138 4.777 4.640 -0.002 0.000 0.211 324 D C 1.932 178.253 176.300 0.034 0.000 0.966 324 D CA 0.296 54.276 54.000 -0.034 0.000 0.876 324 D CB -0.071 40.731 40.800 0.004 0.000 0.927 324 D HN 0.373 nan 8.370 nan 0.000 0.519 325 I N 0.596 121.258 120.570 0.153 0.000 2.584 325 I HA -0.163 4.006 4.170 -0.002 0.000 0.255 325 I C 2.153 178.406 176.117 0.228 0.000 1.145 325 I CA 0.522 61.984 61.300 0.270 0.000 1.462 325 I CB 0.133 38.240 38.000 0.180 0.000 1.102 325 I HN -0.096 nan 8.210 nan 0.000 0.433 326 Q N 0.678 120.554 119.800 0.127 0.000 2.084 326 Q HA -0.145 4.194 4.340 -0.002 0.000 0.202 326 Q C 2.330 178.445 176.000 0.191 0.000 0.978 326 Q CA 1.448 57.328 55.803 0.128 0.000 0.844 326 Q CB -0.326 28.446 28.738 0.058 0.000 0.898 326 Q HN 0.524 nan 8.270 nan 0.000 0.426 327 L N -0.882 120.418 121.223 0.128 0.000 2.141 327 L HA -0.169 4.170 4.340 -0.002 0.000 0.209 327 L C 2.231 179.290 176.870 0.315 0.000 1.094 327 L CA 0.863 55.810 54.840 0.177 0.000 0.763 327 L CB -0.554 41.527 42.059 0.036 0.000 0.908 327 L HN 0.143 nan 8.230 nan 0.000 0.437 328 Y N -0.947 119.535 120.300 0.304 0.000 2.145 328 Y HA -0.308 4.241 4.550 -0.001 0.000 0.286 328 Y C 2.604 178.595 175.900 0.152 0.000 1.145 328 Y CA 1.455 59.660 58.100 0.175 0.000 1.148 328 Y CB -0.961 37.581 38.460 0.136 0.000 0.981 328 Y HN 0.107 nan 8.280 nan 0.000 0.507 329 Y N 0.795 121.232 120.300 0.229 0.000 2.089 329 Y HA -0.332 4.217 4.550 -0.002 0.000 0.282 329 Y C 2.719 178.686 175.900 0.111 0.000 1.139 329 Y CA 2.142 60.328 58.100 0.143 0.000 1.123 329 Y CB -0.708 37.828 38.460 0.128 0.000 0.980 329 Y HN 0.160 nan 8.280 nan 0.000 0.493 330 Q N -0.044 119.943 119.800 0.312 0.000 2.142 330 Q HA -0.249 4.090 4.340 -0.002 0.000 0.213 330 Q C 2.064 178.096 176.000 0.052 0.000 1.004 330 Q CA 3.275 59.174 55.803 0.161 0.000 0.883 330 Q CB -0.628 28.230 28.738 0.199 0.000 0.939 330 Q HN 0.529 nan 8.270 nan 0.000 0.413 331 T N 0.221 114.833 114.554 0.096 0.000 2.904 331 T HA 0.012 4.361 4.350 -0.002 0.000 0.267 331 T C 1.515 176.199 174.700 -0.026 0.000 1.059 331 T CA 1.054 63.180 62.100 0.043 0.000 1.137 331 T CB -0.048 68.834 68.868 0.024 0.000 0.879 331 T HN 0.243 nan 8.240 nan 0.000 0.467 332 L N 0.433 121.630 121.223 -0.044 0.000 2.240 332 L HA 0.059 4.398 4.340 -0.002 0.000 0.211 332 L C 2.278 179.065 176.870 -0.138 0.000 1.106 332 L CA 0.269 55.059 54.840 -0.082 0.000 0.793 332 L CB -0.446 41.572 42.059 -0.067 0.000 0.927 332 L HN 0.233 nan 8.230 nan 0.000 0.446 333 L N 0.828 121.916 121.223 -0.225 0.000 1.973 333 L HA -0.180 4.159 4.340 -0.002 0.000 0.208 333 L C 2.392 179.191 176.870 -0.118 0.000 1.073 333 L CA 1.783 56.479 54.840 -0.240 0.000 0.746 333 L CB -0.669 41.189 42.059 -0.335 0.000 0.891 333 L HN 0.063 nan 8.230 nan 0.000 0.433 334 I N -0.115 120.405 120.570 -0.083 0.000 2.182 334 I HA -0.363 3.806 4.170 -0.002 0.000 0.248 334 I C 2.375 178.461 176.117 -0.053 0.000 1.073 334 I CA 1.619 62.887 61.300 -0.054 0.000 1.335 334 I CB -1.141 36.842 38.000 -0.029 0.000 1.031 334 I HN 0.505 nan 8.210 nan 0.000 0.420 335 G N 0.306 109.074 108.800 -0.053 0.000 2.408 335 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.217 335 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.217 335 G C 1.749 176.631 174.900 -0.030 0.000 1.150 335 G CA 0.642 45.715 45.100 -0.044 0.000 0.776 335 G HN 0.344 nan 8.290 nan 0.000 0.542 336 R N 0.876 121.356 120.500 -0.034 0.000 2.081 336 R HA -0.054 4.285 4.340 -0.002 0.000 0.235 336 R C 2.421 178.723 176.300 0.004 0.000 1.131 336 R CA 1.830 57.925 56.100 -0.010 0.000 0.960 336 R CB -0.343 29.942 30.300 -0.025 0.000 0.856 336 R HN 0.377 nan 8.270 nan 0.000 0.436 337 K N 0.821 121.208 120.400 -0.021 0.000 2.001 337 K HA -0.186 4.133 4.320 -0.002 0.000 0.214 337 K C 1.205 177.792 176.600 -0.022 0.000 1.050 337 K CA 2.150 58.423 56.287 -0.024 0.000 0.934 337 K CB -0.088 32.378 32.500 -0.057 0.000 0.718 337 K HN 0.243 nan 8.250 nan 0.000 0.443 338 E N 0.452 120.625 120.200 -0.045 0.000 2.416 338 E HA -0.045 4.304 4.350 -0.002 0.000 0.189 338 E C 1.212 177.855 176.600 0.071 0.000 1.091 338 E CA -0.336 56.032 56.400 -0.053 0.000 0.889 338 E CB 0.189 29.839 29.700 -0.084 0.000 1.015 338 E HN 0.237 nan 8.360 nan 0.000 0.479 339 L N 1.437 122.715 121.223 0.091 0.000 1.973 339 L HA -0.033 4.306 4.340 -0.002 0.000 0.208 339 L C -1.080 175.875 176.870 0.141 0.000 1.073 339 L CA 1.867 56.758 54.840 0.085 0.000 0.746 339 L CB -0.927 41.169 42.059 0.062 0.000 0.891 339 L HN 0.005 nan 8.230 nan 0.000 0.433 340 P HA -0.122 nan 4.420 nan 0.000 0.234 340 P C 0.219 177.490 177.300 -0.048 0.000 1.162 340 P CA 1.251 64.397 63.100 0.077 0.000 0.759 340 P CB -0.131 31.598 31.700 0.049 0.000 0.813 341 Y N -1.300 118.993 120.300 -0.011 0.000 2.507 341 Y HA 0.378 4.927 4.550 -0.001 0.000 0.263 341 Y C 1.524 177.413 175.900 -0.019 0.000 1.093 341 Y CA -0.558 57.535 58.100 -0.012 0.000 1.285 341 Y CB -0.652 37.802 38.460 -0.010 0.000 1.115 341 Y HN -0.195 nan 8.280 nan 0.000 0.533 342 A N 1.060 123.948 122.820 0.113 0.000 2.351 342 A HA 0.275 4.594 4.320 -0.002 0.000 0.257 342 A C -1.396 176.187 177.584 -0.002 0.000 1.087 342 A CA -1.096 50.963 52.037 0.037 0.000 0.798 342 A CB -0.042 18.958 19.000 0.001 0.000 1.033 342 A HN 0.105 nan 8.150 nan 0.000 0.488 343 P HA -0.079 nan 4.420 nan 0.000 0.217 343 P C -0.161 177.121 177.300 -0.030 0.000 1.148 343 P CA 1.464 64.552 63.100 -0.020 0.000 0.828 343 P CB 0.146 31.834 31.700 -0.019 0.000 0.783 344 D N -3.103 117.268 120.400 -0.048 0.000 2.493 344 D HA 0.226 4.865 4.640 -0.002 0.000 0.239 344 D C 1.184 177.434 176.300 -0.082 0.000 1.049 344 D CA -0.684 53.285 54.000 -0.052 0.000 1.008 344 D CB 1.218 41.974 40.800 -0.073 0.000 1.398 344 D HN -0.165 nan 8.370 nan 0.000 0.513 345 R N 0.234 120.694 120.500 -0.067 0.000 2.062 345 R HA 0.005 4.344 4.340 -0.002 0.000 0.229 345 R C 2.043 178.067 176.300 -0.460 0.000 1.128 345 R CA 0.543 56.574 56.100 -0.115 0.000 0.960 345 R CB -0.023 30.346 30.300 0.116 0.000 0.855 345 R HN 0.352 nan 8.270 nan 0.000 0.432 346 R N 1.465 121.581 120.500 -0.639 0.000 2.122 346 R HA -0.196 4.143 4.340 -0.002 0.000 0.236 346 R C 2.341 178.286 176.300 -0.592 0.000 1.129 346 R CA 2.173 57.669 56.100 -1.007 0.000 0.925 346 R CB -0.379 29.619 30.300 -0.503 0.000 0.850 346 R HN 0.165 nan 8.270 nan 0.000 0.431 347 M N -0.061 119.350 119.600 -0.316 0.000 2.331 347 M HA -0.136 4.343 4.480 -0.002 0.000 0.260 347 M C 1.597 177.780 176.300 -0.195 0.000 1.072 347 M CA 2.161 57.336 55.300 -0.208 0.000 1.065 347 M CB -0.111 32.415 32.600 -0.123 0.000 1.392 347 M HN 0.401 nan 8.290 nan 0.000 0.427 348 G N -1.289 107.379 108.800 -0.221 0.000 2.492 348 G HA2 -0.018 3.941 3.960 -0.002 0.000 0.214 348 G HA3 -0.018 3.941 3.960 -0.002 0.000 0.214 348 G C 1.220 176.018 174.900 -0.171 0.000 1.147 348 G CA 0.444 45.453 45.100 -0.151 0.000 0.809 348 G HN 0.370 nan 8.290 nan 0.000 0.533 349 V N 0.789 120.535 119.914 -0.281 0.000 2.453 349 V HA -0.113 4.006 4.120 -0.002 0.000 0.247 349 V C 2.567 178.531 176.094 -0.216 0.000 1.048 349 V CA 1.829 63.979 62.300 -0.251 0.000 1.049 349 V CB -0.305 31.279 31.823 -0.398 0.000 0.672 349 V HN 0.418 nan 8.190 nan 0.000 0.457 350 E N -0.320 119.727 120.200 -0.255 0.000 2.150 350 E HA -0.160 4.189 4.350 -0.002 0.000 0.193 350 E C 2.228 178.759 176.600 -0.115 0.000 0.985 350 E CA 1.228 57.526 56.400 -0.170 0.000 0.814 350 E CB -0.130 29.469 29.700 -0.169 0.000 0.752 350 E HN 0.562 nan 8.360 nan 0.000 0.466 351 M N -0.143 119.391 119.600 -0.110 0.000 2.193 351 M HA -0.079 4.400 4.480 -0.002 0.000 0.265 351 M C 2.350 178.607 176.300 -0.073 0.000 1.071 351 M CA 1.089 56.344 55.300 -0.076 0.000 1.140 351 M CB -0.178 32.385 32.600 -0.063 0.000 1.369 351 M HN -0.001 nan 8.290 nan 0.000 0.423 352 T N 1.534 116.039 114.554 -0.083 0.000 2.708 352 T HA -0.066 4.283 4.350 -0.002 0.000 0.266 352 T C 1.874 176.521 174.700 -0.089 0.000 1.037 352 T CA 1.138 63.191 62.100 -0.078 0.000 1.146 352 T CB -0.239 68.586 68.868 -0.071 0.000 0.865 352 T HN 0.277 nan 8.240 nan 0.000 0.435 353 L N 0.405 121.575 121.223 -0.088 0.000 2.027 353 L HA -0.015 4.324 4.340 -0.002 0.000 0.206 353 L C 2.522 179.340 176.870 -0.086 0.000 1.074 353 L CA 1.057 55.845 54.840 -0.086 0.000 0.745 353 L CB -0.534 41.483 42.059 -0.070 0.000 0.898 353 L HN 0.264 nan 8.230 nan 0.000 0.433 354 L N -0.432 120.749 121.223 -0.071 0.000 2.081 354 L HA -0.279 4.060 4.340 -0.002 0.000 0.212 354 L C 2.834 179.670 176.870 -0.056 0.000 1.080 354 L CA 1.337 56.147 54.840 -0.051 0.000 0.754 354 L CB -0.473 41.562 42.059 -0.039 0.000 0.893 354 L HN 0.311 nan 8.230 nan 0.000 0.433 355 R N 0.218 120.672 120.500 -0.077 0.000 2.070 355 R HA -0.163 4.176 4.340 -0.002 0.000 0.232 355 R C 2.283 178.444 176.300 -0.231 0.000 1.138 355 R CA 1.597 57.646 56.100 -0.085 0.000 0.936 355 R CB -0.315 29.944 30.300 -0.068 0.000 0.839 355 R HN 0.306 nan 8.270 nan 0.000 0.429 356 A N 0.912 123.515 122.820 -0.361 0.000 2.125 356 A HA -0.106 4.213 4.320 -0.002 0.000 0.219 356 A C 1.903 179.268 177.584 -0.365 0.000 1.156 356 A CA 0.761 52.372 52.037 -0.710 0.000 0.671 356 A CB -0.445 18.356 19.000 -0.331 0.000 0.794 356 A HN 0.354 nan 8.150 nan 0.000 0.459 357 L N -0.056 121.084 121.223 -0.138 0.000 1.961 357 L HA 0.003 4.342 4.340 -0.002 0.000 0.210 357 L C 2.171 179.098 176.870 0.094 0.000 1.072 357 L CA 2.056 56.892 54.840 -0.005 0.000 0.749 357 L CB -1.140 40.914 42.059 -0.007 0.000 0.889 357 L HN 0.328 nan 8.230 nan 0.000 0.432 358 A N -1.467 121.410 122.820 0.094 0.000 2.900 358 A HA 0.016 4.335 4.320 -0.002 0.000 0.246 358 A C 1.406 179.216 177.584 0.376 0.000 1.725 358 A CA 0.135 52.283 52.037 0.184 0.000 1.400 358 A CB -1.420 17.659 19.000 0.132 0.000 0.973 358 A HN 0.533 nan 8.150 nan 0.000 0.635 359 F N -2.104 117.917 119.950 0.118 0.000 2.553 359 F HA 0.030 4.556 4.527 -0.002 0.000 0.282 359 F C 2.170 178.030 175.800 0.100 0.000 1.089 359 F CA 0.240 58.275 58.000 0.058 0.000 1.411 359 F CB -0.161 38.821 39.000 -0.029 0.000 1.125 359 F HN 0.689 nan 8.300 nan 0.000 0.610 360 H N 1.261 120.504 119.070 0.289 0.000 2.272 360 H HA -0.170 4.385 4.556 -0.002 0.000 0.289 360 H C -1.524 173.868 175.328 0.108 0.000 1.100 360 H CA 1.103 57.277 56.048 0.210 0.000 1.209 360 H CB -1.389 28.478 29.762 0.175 0.000 1.348 360 H HN 0.025 nan 8.280 nan 0.000 0.481 361 P HA 0.180 nan 4.420 nan 0.000 0.286 361 P C 0.011 177.247 177.300 -0.107 0.000 1.269 361 P CA -0.061 62.916 63.100 -0.205 0.000 0.787 361 P CB 1.523 33.127 31.700 -0.160 0.000 0.920 362 R N 1.827 122.260 120.500 -0.112 0.000 2.009 362 R HA 0.363 4.702 4.340 -0.002 0.000 0.213 362 R C 0.383 176.638 176.300 -0.076 0.000 1.297 362 R CA 0.767 56.812 56.100 -0.092 0.000 1.008 362 R CB 0.038 30.290 30.300 -0.080 0.000 0.852 362 R HN 0.440 nan 8.270 nan 0.000 0.475 363 M N 0.000 119.561 119.600 -0.065 0.000 2.572 363 M HA 0.000 4.479 4.480 -0.002 0.000 0.227 363 M CA 0.000 55.270 55.300 -0.051 0.000 0.988 363 M CB 0.000 32.572 32.600 -0.046 0.000 1.302 363 M HN 0.000 nan 8.290 nan 0.000 0.411