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 2yyj_1_A DATA FIRST_RESID 2 DATA SEQUENCE ARTGAEYIEA LKTRPPNLWY KGEKVEDPTT HPVFRGIVRT MAALYDLQHD DATA SEQUENCE PRYREVLTYE EEGKRHGMSF LIPKTKEDLK RRGQAYKLWA DQNLGMMGRS DATA SEQUENCE PDYLNAVVMA YAASADYFGE FAENVRNYYR YLRDQDLATT HALTNPQVNR DATA SEQUENCE ARPPSGQPDP YIPVGVVKQT EKGIVVRGAR MTATFPLADE VLIFPSTLLQ DATA SEQUENCE AGSEKYALAF ALPTSTPGLH FVCREALVGG DSPFDHPLSS RVEEMDCLVI DATA SEQUENCE FDDVLVPWER VFILGNVELC NNAYAATGAL NHMAHQVVAL KTAKTEAFLG DATA SEQUENCE VAALMAEGIG ADVYGHVQEK IAEIIVYLEA MRAFWTRAEE EAKENAYGLL DATA SEQUENCE VPDRGALDGA RNLYPRLYPR IREILEQIGA SGLITLPSEK DFKGPLGPFL DATA SEQUENCE EKFLQGAALE AKERVALFRL AWDMTLSGFG ARQELYERFF FGDPVRMYQT DATA SEQUENCE LYNVYNKEPY KERIRAFLKE SLKVFE 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.691 177.584 0.179 0.000 1.274 2 A CA 0.000 52.078 52.037 0.068 0.000 0.836 2 A CB 0.000 18.970 19.000 -0.050 0.000 0.831 3 R N 0.859 121.432 120.500 0.122 0.000 2.641 3 R HA 0.562 4.888 4.340 -0.024 0.000 0.269 3 R C 0.735 177.103 176.300 0.112 0.000 1.074 3 R CA 0.813 56.886 56.100 -0.046 0.000 1.133 3 R CB 0.714 30.717 30.300 -0.495 0.000 1.029 3 R HN 0.887 nan 8.270 nan 0.000 0.488 4 T N -1.237 113.278 114.554 -0.064 0.000 2.944 4 T HA 0.307 4.643 4.350 -0.024 0.000 0.284 4 T C 1.339 176.041 174.700 0.004 0.000 1.010 4 T CA -0.512 61.547 62.100 -0.069 0.000 1.025 4 T CB 1.770 70.496 68.868 -0.238 0.000 1.079 4 T HN 0.581 nan 8.240 nan 0.000 0.516 5 G N 0.138 109.007 108.800 0.116 0.000 2.418 5 G HA2 -0.009 3.937 3.960 -0.024 0.000 0.217 5 G HA3 -0.009 3.937 3.960 -0.024 0.000 0.217 5 G C 1.714 176.701 174.900 0.144 0.000 1.158 5 G CA 0.730 45.950 45.100 0.200 0.000 0.771 5 G HN 1.083 nan 8.290 nan 0.000 0.545 6 A N 0.970 123.820 122.820 0.050 0.000 1.940 6 A HA -0.054 4.251 4.320 -0.024 0.000 0.219 6 A C 2.167 179.748 177.584 -0.006 0.000 1.176 6 A CA 1.955 54.001 52.037 0.015 0.000 0.631 6 A CB -0.385 18.606 19.000 -0.015 0.000 0.814 6 A HN 0.481 nan 8.150 nan 0.000 0.446 7 E N -1.719 118.464 120.200 -0.028 0.000 2.106 7 E HA -0.201 4.134 4.350 -0.024 0.000 0.192 7 E C 1.888 178.468 176.600 -0.033 0.000 0.984 7 E CA 1.408 57.777 56.400 -0.052 0.000 0.806 7 E CB -0.330 29.316 29.700 -0.089 0.000 0.750 7 E HN 0.817 nan 8.360 nan 0.000 0.458 8 Y N 1.540 121.747 120.300 -0.154 0.000 2.145 8 Y HA -0.187 4.348 4.550 -0.024 0.000 0.286 8 Y C 1.920 177.804 175.900 -0.026 0.000 1.145 8 Y CA 1.335 59.371 58.100 -0.106 0.000 1.148 8 Y CB -0.256 38.183 38.460 -0.035 0.000 0.981 8 Y HN -0.078 nan 8.280 nan 0.000 0.507 9 I N 0.223 120.701 120.570 -0.154 0.000 2.226 9 I HA -0.253 3.903 4.170 -0.024 0.000 0.245 9 I C 2.375 178.376 176.117 -0.193 0.000 1.100 9 I CA 1.848 63.005 61.300 -0.238 0.000 1.374 9 I CB -0.396 37.566 38.000 -0.064 0.000 1.057 9 I HN 0.223 nan 8.210 nan 0.000 0.413 10 E N 1.437 121.567 120.200 -0.117 0.000 2.106 10 E HA -0.181 4.155 4.350 -0.024 0.000 0.192 10 E C 2.080 178.615 176.600 -0.109 0.000 0.984 10 E CA 1.583 57.926 56.400 -0.094 0.000 0.806 10 E CB -0.143 29.520 29.700 -0.062 0.000 0.750 10 E HN 0.415 nan 8.360 nan 0.000 0.458 11 A N 0.417 123.162 122.820 -0.124 0.000 1.902 11 A HA -0.105 4.200 4.320 -0.024 0.000 0.217 11 A C 2.297 179.793 177.584 -0.147 0.000 1.181 11 A CA 1.363 53.335 52.037 -0.108 0.000 0.623 11 A CB -0.658 18.297 19.000 -0.076 0.000 0.818 11 A HN 0.344 nan 8.150 nan 0.000 0.443 12 L N -1.008 120.065 121.223 -0.250 0.000 2.156 12 L HA -0.124 4.201 4.340 -0.024 0.000 0.208 12 L C 2.617 179.372 176.870 -0.191 0.000 1.095 12 L CA 1.599 56.280 54.840 -0.264 0.000 0.770 12 L CB -0.373 41.437 42.059 -0.416 0.000 0.914 12 L HN 0.434 nan 8.230 nan 0.000 0.439 13 K N -0.339 119.963 120.400 -0.165 0.000 2.062 13 K HA -0.124 4.182 4.320 -0.024 0.000 0.205 13 K C 1.999 178.545 176.600 -0.091 0.000 1.051 13 K CA 1.620 57.837 56.287 -0.116 0.000 0.941 13 K CB 0.096 32.539 32.500 -0.095 0.000 0.719 13 K HN 0.198 nan 8.250 nan 0.000 0.440 14 T N 0.705 115.209 114.554 -0.084 0.000 2.770 14 T HA 0.017 4.353 4.350 -0.024 0.000 0.263 14 T C 0.601 175.267 174.700 -0.057 0.000 1.039 14 T CA 0.920 62.984 62.100 -0.060 0.000 1.142 14 T CB 0.138 68.977 68.868 -0.049 0.000 0.868 14 T HN 0.050 nan 8.240 nan 0.000 0.435 15 R N 1.770 122.231 120.500 -0.065 0.000 2.629 15 R HA 0.300 4.625 4.340 -0.024 0.000 0.277 15 R C -2.954 173.297 176.300 -0.082 0.000 1.637 15 R CA -2.239 53.828 56.100 -0.054 0.000 1.663 15 R CB 0.599 30.884 30.300 -0.025 0.000 1.228 15 R HN 0.339 nan 8.270 nan 0.000 0.632 16 P HA 0.171 nan 4.420 nan 0.000 0.272 16 P C -2.389 174.825 177.300 -0.143 0.000 1.223 16 P CA -1.171 61.838 63.100 -0.152 0.000 0.784 16 P CB 0.344 31.946 31.700 -0.162 0.000 0.923 17 P HA 0.061 nan 4.420 nan 0.000 0.272 17 P C -0.232 177.006 177.300 -0.104 0.000 1.223 17 P CA -0.115 62.873 63.100 -0.186 0.000 0.784 17 P CB 0.291 31.744 31.700 -0.413 0.000 0.923 18 N N 1.914 120.666 118.700 0.087 0.000 3.103 18 N HA 0.127 4.852 4.740 -0.024 0.000 0.305 18 N C 0.014 175.678 175.510 0.256 0.000 1.232 18 N CA 0.282 53.414 53.050 0.136 0.000 1.190 18 N CB -0.818 37.767 38.487 0.165 0.000 1.461 18 N HN 0.358 nan 8.380 nan 0.000 0.538 19 L N 0.179 121.403 121.223 0.003 0.000 2.375 19 L HA 0.437 4.762 4.340 -0.024 0.000 0.271 19 L C -0.187 176.675 176.870 -0.014 0.000 1.107 19 L CA -0.593 54.261 54.840 0.023 0.000 0.806 19 L CB 0.719 42.587 42.059 -0.318 0.000 1.146 19 L HN 0.194 nan 8.230 nan 0.000 0.447 20 W N 2.039 123.406 121.300 0.111 0.000 2.785 20 W HA 0.435 5.080 4.660 -0.024 0.000 0.333 20 W C -0.959 175.695 176.519 0.223 0.000 1.062 20 W CA -0.383 57.039 57.345 0.128 0.000 1.233 20 W CB 1.358 30.865 29.460 0.078 0.000 1.413 20 W HN 0.153 nan 8.180 nan 0.000 0.489 21 Y N 3.457 123.938 120.300 0.303 0.000 2.354 21 Y HA 0.303 4.839 4.550 -0.025 0.000 0.330 21 Y C 0.243 176.276 175.900 0.222 0.000 1.011 21 Y CA -1.862 56.387 58.100 0.248 0.000 1.099 21 Y CB 1.218 39.808 38.460 0.217 0.000 1.179 21 Y HN 0.568 nan 8.280 nan 0.000 0.442 22 K N 4.816 124.977 120.400 -0.398 0.000 3.278 22 K HA -0.234 4.072 4.320 -0.024 0.000 0.270 22 K C 0.878 177.479 176.600 0.002 0.000 0.955 22 K CA 1.067 57.196 56.287 -0.263 0.000 0.723 22 K CB -1.561 30.720 32.500 -0.366 0.000 1.382 22 K HN 1.349 nan 8.250 nan 0.000 0.461 23 G N -0.255 108.607 108.800 0.105 0.000 2.184 23 G HA2 -0.326 3.620 3.960 -0.024 0.000 0.264 23 G HA3 -0.326 3.620 3.960 -0.024 0.000 0.264 23 G C -0.182 174.947 174.900 0.382 0.000 0.975 23 G CA 0.915 46.134 45.100 0.198 0.000 0.642 23 G HN 0.534 nan 8.290 nan 0.000 0.536 24 E N -0.200 120.215 120.200 0.358 0.000 2.288 24 E HA 0.472 4.807 4.350 -0.024 0.000 0.268 24 E C -0.269 176.296 176.600 -0.060 0.000 0.885 24 E CA -1.000 55.513 56.400 0.188 0.000 0.767 24 E CB 1.620 31.398 29.700 0.131 0.000 1.220 24 E HN 0.214 nan 8.360 nan 0.000 0.427 25 K N 0.955 121.048 120.400 -0.512 0.000 2.326 25 K HA 0.204 4.509 4.320 -0.024 0.000 0.275 25 K C -0.525 175.906 176.600 -0.282 0.000 1.018 25 K CA -0.283 55.552 56.287 -0.753 0.000 0.962 25 K CB 0.876 32.887 32.500 -0.815 0.000 0.953 25 K HN 0.168 nan 8.250 nan 0.000 0.475 26 V N 4.127 123.894 119.914 -0.245 0.000 2.353 26 V HA 0.015 4.121 4.120 -0.024 0.000 0.264 26 V C 1.030 177.043 176.094 -0.136 0.000 1.049 26 V CA 0.030 62.263 62.300 -0.111 0.000 0.896 26 V CB 0.637 32.318 31.823 -0.237 0.000 1.025 26 V HN 0.804 nan 8.190 nan 0.000 0.475 27 E N 2.387 122.551 120.200 -0.059 0.000 2.107 27 E HA -0.072 4.264 4.350 -0.024 0.000 0.191 27 E C 0.302 176.863 176.600 -0.066 0.000 0.982 27 E CA 0.824 57.181 56.400 -0.071 0.000 0.809 27 E CB 0.313 29.987 29.700 -0.042 0.000 0.756 27 E HN 0.679 nan 8.360 nan 0.000 0.459 28 D N -0.842 119.542 120.400 -0.027 0.000 2.323 28 D HA 0.073 4.699 4.640 -0.024 0.000 0.242 28 D C -2.105 174.195 176.300 0.000 0.000 1.347 28 D CA -2.044 51.934 54.000 -0.037 0.000 0.988 28 D CB 1.296 42.085 40.800 -0.018 0.000 1.314 28 D HN -0.197 nan 8.370 nan 0.000 0.564 29 P HA -0.117 nan 4.420 nan 0.000 0.225 29 P C 1.184 178.507 177.300 0.039 0.000 1.148 29 P CA 0.909 63.966 63.100 -0.072 0.000 0.779 29 P CB 0.022 31.512 31.700 -0.350 0.000 0.780 30 T N -3.191 111.350 114.554 -0.023 0.000 3.035 30 T HA -0.044 4.291 4.350 -0.024 0.000 0.268 30 T C 1.519 176.238 174.700 0.032 0.000 1.109 30 T CA 1.749 63.842 62.100 -0.011 0.000 1.119 30 T CB -1.195 67.635 68.868 -0.063 0.000 0.900 30 T HN 0.258 nan 8.240 nan 0.000 0.503 31 T N -2.714 111.873 114.554 0.054 0.000 2.975 31 T HA 0.198 4.534 4.350 -0.024 0.000 0.261 31 T C 0.547 175.293 174.700 0.076 0.000 0.984 31 T CA -0.523 61.605 62.100 0.047 0.000 0.911 31 T CB -0.413 68.464 68.868 0.015 0.000 1.127 31 T HN 0.482 nan 8.240 nan 0.000 0.514 32 H N 3.253 122.353 119.070 0.051 0.000 2.886 32 H HA 0.178 4.720 4.556 -0.024 0.000 0.329 32 H C -1.900 173.429 175.328 0.002 0.000 1.044 32 H CA -1.415 54.674 56.048 0.068 0.000 1.456 32 H CB 1.641 31.533 29.762 0.216 0.000 1.464 32 H HN -0.023 nan 8.280 nan 0.000 0.573 33 P HA -0.181 nan 4.420 nan 0.000 0.217 33 P C 1.518 178.778 177.300 -0.066 0.000 1.148 33 P CA 0.889 63.949 63.100 -0.067 0.000 0.828 33 P CB 0.360 31.967 31.700 -0.155 0.000 0.783 34 V N -2.415 117.470 119.914 -0.048 0.000 2.719 34 V HA -0.104 4.001 4.120 -0.024 0.000 0.252 34 V C 1.570 177.217 176.094 -0.744 0.000 1.065 34 V CA 1.618 63.551 62.300 -0.611 0.000 1.086 34 V CB -0.967 30.055 31.823 -1.336 0.000 0.700 34 V HN 0.027 nan 8.190 nan 0.000 0.467 35 F N 0.032 119.955 119.950 -0.044 0.000 2.727 35 F HA 0.202 4.715 4.527 -0.024 0.000 0.302 35 F C 2.297 178.091 175.800 -0.011 0.000 1.107 35 F CA -0.049 57.916 58.000 -0.060 0.000 1.277 35 F CB -0.406 38.518 39.000 -0.126 0.000 1.079 35 F HN 0.014 nan 8.300 nan 0.000 0.594 36 R N 0.861 121.453 120.500 0.153 0.000 2.159 36 R HA -0.055 4.271 4.340 -0.024 0.000 0.237 36 R C 2.151 178.493 176.300 0.070 0.000 1.131 36 R CA 1.568 57.727 56.100 0.099 0.000 0.982 36 R CB -1.389 28.949 30.300 0.064 0.000 0.868 36 R HN 0.297 nan 8.270 nan 0.000 0.453 37 G N 1.862 110.685 108.800 0.038 0.000 2.414 37 G HA2 -0.257 3.688 3.960 -0.024 0.000 0.215 37 G HA3 -0.257 3.688 3.960 -0.024 0.000 0.215 37 G C 1.338 176.261 174.900 0.040 0.000 1.188 37 G CA 0.705 45.813 45.100 0.014 0.000 0.783 37 G HN 0.292 nan 8.290 nan 0.000 0.537 38 I N 0.655 121.272 120.570 0.077 0.000 2.493 38 I HA -0.054 4.101 4.170 -0.024 0.000 0.254 38 I C 2.664 178.908 176.117 0.212 0.000 1.160 38 I CA 0.648 62.024 61.300 0.127 0.000 1.445 38 I CB 0.008 38.134 38.000 0.210 0.000 1.086 38 I HN 0.035 nan 8.210 nan 0.000 0.433 39 V N 1.085 121.134 119.914 0.226 0.000 2.358 39 V HA -0.265 3.840 4.120 -0.024 0.000 0.246 39 V C 2.686 178.947 176.094 0.279 0.000 1.047 39 V CA 2.206 64.687 62.300 0.302 0.000 1.035 39 V CB -0.877 31.038 31.823 0.152 0.000 0.658 39 V HN 0.474 nan 8.190 nan 0.000 0.452 40 R N -0.242 120.346 120.500 0.148 0.000 2.096 40 R HA -0.160 4.165 4.340 -0.024 0.000 0.235 40 R C 2.229 178.562 176.300 0.056 0.000 1.127 40 R CA 2.019 58.179 56.100 0.100 0.000 0.968 40 R CB -0.409 29.923 30.300 0.053 0.000 0.861 40 R HN 0.505 nan 8.270 nan 0.000 0.440 41 T N 1.021 115.585 114.554 0.018 0.000 2.777 41 T HA -0.150 4.185 4.350 -0.024 0.000 0.266 41 T C 1.575 176.170 174.700 -0.176 0.000 1.040 41 T CA 1.520 63.570 62.100 -0.083 0.000 1.141 41 T CB -0.152 68.650 68.868 -0.109 0.000 0.868 41 T HN 0.190 nan 8.240 nan 0.000 0.444 42 M N 1.789 121.312 119.600 -0.130 0.000 2.175 42 M HA 0.154 4.619 4.480 -0.024 0.000 0.264 42 M C 2.279 178.394 176.300 -0.309 0.000 1.063 42 M CA 1.264 56.349 55.300 -0.357 0.000 1.119 42 M CB -0.769 31.686 32.600 -0.241 0.000 1.377 42 M HN 0.192 nan 8.290 nan 0.000 0.415 43 A N -0.289 122.561 122.820 0.050 0.000 1.933 43 A HA 0.026 4.332 4.320 -0.024 0.000 0.218 43 A C 2.348 179.989 177.584 0.096 0.000 1.175 43 A CA 1.974 54.147 52.037 0.227 0.000 0.628 43 A CB -1.364 17.818 19.000 0.303 0.000 0.814 43 A HN 0.633 nan 8.150 nan 0.000 0.444 44 A N -0.431 122.380 122.820 -0.014 0.000 1.969 44 A HA 0.047 4.352 4.320 -0.024 0.000 0.218 44 A C 2.125 179.641 177.584 -0.113 0.000 1.169 44 A CA 1.290 53.305 52.037 -0.036 0.000 0.635 44 A CB -0.488 18.474 19.000 -0.064 0.000 0.810 44 A HN 0.473 nan 8.150 nan 0.000 0.445 45 L N -2.126 118.887 121.223 -0.351 0.000 2.056 45 L HA -0.183 4.143 4.340 -0.024 0.000 0.207 45 L C 2.534 179.289 176.870 -0.192 0.000 1.078 45 L CA 1.265 55.701 54.840 -0.674 0.000 0.749 45 L CB -0.620 40.500 42.059 -1.565 0.000 0.901 45 L HN 0.414 nan 8.230 nan 0.000 0.433 46 Y N 0.345 120.598 120.300 -0.078 0.000 2.200 46 Y HA -0.246 4.290 4.550 -0.023 0.000 0.290 46 Y C 2.505 178.562 175.900 0.262 0.000 1.137 46 Y CA 1.128 59.327 58.100 0.164 0.000 1.163 46 Y CB -0.503 38.009 38.460 0.087 0.000 0.988 46 Y HN 0.206 nan 8.280 nan 0.000 0.518 47 D N -0.374 120.230 120.400 0.339 0.000 2.178 47 D HA -0.153 4.473 4.640 -0.024 0.000 0.201 47 D C 2.176 178.674 176.300 0.329 0.000 0.980 47 D CA 0.789 54.971 54.000 0.303 0.000 0.842 47 D CB -0.387 40.515 40.800 0.170 0.000 0.948 47 D HN 0.225 nan 8.370 nan 0.000 0.472 48 L N 1.116 122.505 121.223 0.277 0.000 2.187 48 L HA -0.168 4.157 4.340 -0.024 0.000 0.213 48 L C 2.080 179.138 176.870 0.313 0.000 1.100 48 L CA 1.459 56.475 54.840 0.293 0.000 0.765 48 L CB -0.375 41.828 42.059 0.240 0.000 0.904 48 L HN 0.013 nan 8.230 nan 0.000 0.437 49 Q N -1.565 118.412 119.800 0.296 0.000 2.291 49 Q HA -0.189 4.137 4.340 -0.024 0.000 0.206 49 Q C 1.035 176.941 176.000 -0.156 0.000 0.976 49 Q CA 1.456 57.302 55.803 0.072 0.000 0.875 49 Q CB -0.082 28.662 28.738 0.010 0.000 0.927 49 Q HN 0.680 nan 8.270 nan 0.000 0.450 50 H N -0.682 118.478 119.070 0.149 0.000 2.652 50 H HA 0.121 4.662 4.556 -0.024 0.000 0.274 50 H C -0.290 175.089 175.328 0.085 0.000 1.021 50 H CA -0.322 55.783 56.048 0.096 0.000 1.187 50 H CB 0.396 30.205 29.762 0.078 0.000 1.505 50 H HN 0.052 nan 8.280 nan 0.000 0.530 51 D N 2.522 123.042 120.400 0.200 0.000 2.348 51 D HA -0.017 4.608 4.640 -0.024 0.000 0.253 51 D C -1.305 175.012 176.300 0.028 0.000 1.161 51 D CA -1.866 52.213 54.000 0.132 0.000 0.876 51 D CB 1.660 42.594 40.800 0.224 0.000 1.160 51 D HN 0.126 nan 8.370 nan 0.000 0.459 52 P HA -0.180 nan 4.420 nan 0.000 0.217 52 P C 1.045 178.260 177.300 -0.142 0.000 1.148 52 P CA 1.064 64.130 63.100 -0.056 0.000 0.828 52 P CB 0.309 31.981 31.700 -0.046 0.000 0.783 53 R N -1.537 118.776 120.500 -0.313 0.000 2.148 53 R HA -0.092 4.233 4.340 -0.024 0.000 0.227 53 R C 1.495 177.438 176.300 -0.593 0.000 1.103 53 R CA 1.260 57.018 56.100 -0.570 0.000 0.983 53 R CB -0.420 29.282 30.300 -0.997 0.000 0.874 53 R HN 0.356 nan 8.270 nan 0.000 0.451 54 Y N -1.566 118.755 120.300 0.035 0.000 2.527 54 Y HA 0.286 4.822 4.550 -0.023 0.000 0.247 54 Y C 1.759 177.665 175.900 0.010 0.000 1.138 54 Y CA -0.938 57.181 58.100 0.031 0.000 1.228 54 Y CB -0.038 38.456 38.460 0.057 0.000 1.252 54 Y HN -0.161 nan 8.280 nan 0.000 0.531 55 R N 1.145 121.698 120.500 0.089 0.000 2.103 55 R HA -0.163 4.163 4.340 -0.024 0.000 0.242 55 R C 1.409 177.722 176.300 0.020 0.000 1.142 55 R CA 1.849 57.966 56.100 0.029 0.000 0.960 55 R CB 0.136 30.433 30.300 -0.005 0.000 0.858 55 R HN 0.165 nan 8.270 nan 0.000 0.439 56 E N -0.229 119.989 120.200 0.030 0.000 2.347 56 E HA -0.086 4.250 4.350 -0.024 0.000 0.196 56 E C 1.856 178.480 176.600 0.040 0.000 1.008 56 E CA 0.710 57.129 56.400 0.031 0.000 0.852 56 E CB 0.244 29.959 29.700 0.025 0.000 0.783 56 E HN 0.245 nan 8.360 nan 0.000 0.505 57 V N 0.480 120.428 119.914 0.056 0.000 2.575 57 V HA -0.061 4.044 4.120 -0.024 0.000 0.242 57 V C 2.152 178.236 176.094 -0.017 0.000 1.045 57 V CA 0.805 63.129 62.300 0.040 0.000 1.065 57 V CB -0.122 31.754 31.823 0.089 0.000 0.717 57 V HN 0.165 nan 8.190 nan 0.000 0.467 58 L N 0.273 121.485 121.223 -0.019 0.000 2.529 58 L HA 0.170 4.496 4.340 -0.024 0.000 0.223 58 L C 0.980 177.794 176.870 -0.093 0.000 1.113 58 L CA 0.722 55.491 54.840 -0.118 0.000 0.861 58 L CB -0.161 41.841 42.059 -0.095 0.000 1.012 58 L HN 0.548 nan 8.230 nan 0.000 0.461 59 T N -2.844 111.694 114.554 -0.027 0.000 2.841 59 T HA 0.539 4.874 4.350 -0.024 0.000 0.296 59 T C -1.043 173.702 174.700 0.075 0.000 1.166 59 T CA -0.648 61.436 62.100 -0.027 0.000 1.007 59 T CB 2.163 70.957 68.868 -0.123 0.000 1.253 59 T HN 0.077 nan 8.240 nan 0.000 0.511 60 Y N -0.788 119.508 120.300 -0.007 0.000 2.553 60 Y HA 0.810 5.346 4.550 -0.024 0.000 0.347 60 Y C -0.628 175.259 175.900 -0.022 0.000 1.019 60 Y CA -1.385 56.716 58.100 0.001 0.000 1.032 60 Y CB 1.153 39.633 38.460 0.033 0.000 1.284 60 Y HN 0.950 nan 8.280 nan 0.000 0.466 61 E N 0.966 121.223 120.200 0.096 0.000 2.231 61 E HA 0.550 4.885 4.350 -0.024 0.000 0.277 61 E C -1.319 175.343 176.600 0.102 0.000 0.999 61 E CA -0.653 55.735 56.400 -0.021 0.000 0.827 61 E CB 2.150 31.843 29.700 -0.012 0.000 1.101 61 E HN 0.757 nan 8.360 nan 0.000 0.393 62 E N 2.403 122.608 120.200 0.009 0.000 2.349 62 E HA 0.111 4.446 4.350 -0.024 0.000 0.290 62 E C -1.066 175.564 176.600 0.050 0.000 0.901 62 E CA -0.433 56.038 56.400 0.118 0.000 0.800 62 E CB 0.626 30.517 29.700 0.318 0.000 1.303 62 E HN 0.754 nan 8.360 nan 0.000 0.397 63 E N 2.269 122.500 120.200 0.052 0.000 2.297 63 E HA -0.306 4.030 4.350 -0.024 0.000 0.228 63 E C 0.577 177.178 176.600 0.001 0.000 1.213 63 E CA 0.710 57.131 56.400 0.035 0.000 0.712 63 E CB -1.394 28.341 29.700 0.059 0.000 1.202 63 E HN 1.047 nan 8.360 nan 0.000 0.376 64 G N -0.379 108.408 108.800 -0.021 0.000 2.179 64 G HA2 -0.359 3.587 3.960 -0.024 0.000 0.260 64 G HA3 -0.359 3.587 3.960 -0.024 0.000 0.260 64 G C 0.190 175.037 174.900 -0.088 0.000 0.977 64 G CA 0.874 45.949 45.100 -0.041 0.000 0.641 64 G HN 0.296 nan 8.290 nan 0.000 0.533 65 K N -0.539 119.767 120.400 -0.157 0.000 2.295 65 K HA 0.735 5.040 4.320 -0.024 0.000 0.239 65 K C -0.242 176.071 176.600 -0.478 0.000 0.991 65 K CA -1.089 55.016 56.287 -0.304 0.000 0.845 65 K CB 1.296 33.575 32.500 -0.367 0.000 1.197 65 K HN -0.016 nan 8.250 nan 0.000 0.441 66 R N 1.838 122.021 120.500 -0.527 0.000 2.393 66 R HA 0.351 4.677 4.340 -0.024 0.000 0.315 66 R C -0.795 175.127 176.300 -0.629 0.000 0.952 66 R CA -0.605 55.193 56.100 -0.503 0.000 0.842 66 R CB 1.085 31.228 30.300 -0.261 0.000 1.163 66 R HN 0.656 nan 8.270 nan 0.000 0.450 67 H N -0.146 118.597 119.070 -0.546 0.000 2.670 67 H HA 0.360 4.902 4.556 -0.024 0.000 0.361 67 H C 0.442 175.547 175.328 -0.373 0.000 1.169 67 H CA -0.851 54.878 56.048 -0.532 0.000 1.198 67 H CB 1.741 31.049 29.762 -0.757 0.000 1.700 67 H HN 0.742 nan 8.280 nan 0.000 0.542 68 G N 0.657 109.539 108.800 0.137 0.000 2.398 68 G HA2 0.097 4.043 3.960 -0.024 0.000 0.246 68 G HA3 0.097 4.043 3.960 -0.024 0.000 0.246 68 G C 1.077 176.114 174.900 0.229 0.000 1.289 68 G CA -0.332 44.863 45.100 0.158 0.000 0.869 68 G HN 0.588 nan 8.290 nan 0.000 0.543 69 M N 2.825 122.470 119.600 0.075 0.000 2.195 69 M HA -0.158 4.308 4.480 -0.024 0.000 0.260 69 M C 2.614 178.907 176.300 -0.011 0.000 1.066 69 M CA 2.087 57.459 55.300 0.119 0.000 1.089 69 M CB -0.337 32.208 32.600 -0.091 0.000 1.377 69 M HN 0.632 nan 8.290 nan 0.000 0.411 70 S N -1.215 114.369 115.700 -0.193 0.000 2.595 70 S HA -0.067 4.389 4.470 -0.024 0.000 0.235 70 S C 1.339 175.772 174.600 -0.279 0.000 0.974 70 S CA 0.544 58.577 58.200 -0.278 0.000 0.942 70 S CB -1.011 61.972 63.200 -0.363 0.000 0.766 70 S HN 0.497 nan 8.310 nan 0.000 0.536 71 F N 0.575 120.606 119.950 0.136 0.000 2.731 71 F HA 0.468 4.981 4.527 -0.023 0.000 0.298 71 F C 0.689 176.651 175.800 0.271 0.000 1.106 71 F CA -1.035 57.101 58.000 0.226 0.000 1.329 71 F CB -0.079 38.987 39.000 0.111 0.000 1.100 71 F HN 0.181 nan 8.300 nan 0.000 0.592 72 L N 1.931 123.313 121.223 0.265 0.000 2.534 72 L HA 0.091 4.417 4.340 -0.024 0.000 0.271 72 L C -0.030 176.791 176.870 -0.081 0.000 1.178 72 L CA 0.352 55.120 54.840 -0.120 0.000 0.907 72 L CB -0.183 41.641 42.059 -0.392 0.000 1.164 72 L HN 0.001 nan 8.230 nan 0.000 0.482 73 I N 8.829 129.353 120.570 -0.076 0.000 2.347 73 I HA 0.206 4.362 4.170 -0.024 0.000 0.294 73 I C -1.760 174.303 176.117 -0.089 0.000 1.090 73 I CA -1.700 59.544 61.300 -0.094 0.000 1.314 73 I CB 0.438 38.386 38.000 -0.086 0.000 1.423 73 I HN 0.566 nan 8.210 nan 0.000 0.503 74 P HA 0.098 nan 4.420 nan 0.000 0.271 74 P C -0.389 176.915 177.300 0.008 0.000 1.220 74 P CA -0.285 62.806 63.100 -0.016 0.000 0.768 74 P CB 1.419 33.154 31.700 0.058 0.000 0.848 75 K N 0.984 121.383 120.400 -0.002 0.000 2.370 75 K HA 0.140 4.446 4.320 -0.024 0.000 0.194 75 K C 1.129 177.740 176.600 0.017 0.000 1.070 75 K CA 0.800 57.092 56.287 0.009 0.000 0.998 75 K CB 0.179 32.678 32.500 -0.001 0.000 0.911 75 K HN 0.625 nan 8.250 nan 0.000 0.533 76 T N -2.558 112.006 114.554 0.017 0.000 2.887 76 T HA 0.408 4.744 4.350 -0.024 0.000 0.292 76 T C 0.824 175.542 174.700 0.030 0.000 1.087 76 T CA -0.812 61.300 62.100 0.020 0.000 1.009 76 T CB 2.294 71.169 68.868 0.011 0.000 1.203 76 T HN -0.206 nan 8.240 nan 0.000 0.518 77 K N -0.071 120.346 120.400 0.028 0.000 2.209 77 K HA -0.102 4.204 4.320 -0.024 0.000 0.204 77 K C 1.993 178.617 176.600 0.040 0.000 1.048 77 K CA 1.307 57.615 56.287 0.035 0.000 0.940 77 K CB -0.106 32.408 32.500 0.024 0.000 0.729 77 K HN 0.664 nan 8.250 nan 0.000 0.451 78 E N 1.706 121.921 120.200 0.025 0.000 2.077 78 E HA -0.189 4.147 4.350 -0.024 0.000 0.193 78 E C 1.283 177.897 176.600 0.023 0.000 0.989 78 E CA 1.575 57.987 56.400 0.021 0.000 0.800 78 E CB -0.103 29.603 29.700 0.010 0.000 0.746 78 E HN 0.154 nan 8.360 nan 0.000 0.452 79 D N -0.287 120.122 120.400 0.016 0.000 2.144 79 D HA -0.140 4.486 4.640 -0.024 0.000 0.199 79 D C 1.867 178.188 176.300 0.035 0.000 0.984 79 D CA 0.613 54.612 54.000 -0.001 0.000 0.834 79 D CB -0.229 40.559 40.800 -0.020 0.000 0.955 79 D HN 0.192 nan 8.370 nan 0.000 0.465 80 L N 1.250 122.526 121.223 0.088 0.000 2.046 80 L HA -0.134 4.192 4.340 -0.024 0.000 0.208 80 L C 1.997 179.010 176.870 0.237 0.000 1.077 80 L CA 1.704 56.656 54.840 0.186 0.000 0.747 80 L CB -0.259 41.894 42.059 0.157 0.000 0.896 80 L HN -0.117 nan 8.230 nan 0.000 0.432 81 K N -1.051 119.441 120.400 0.154 0.000 2.097 81 K HA -0.153 4.153 4.320 -0.024 0.000 0.206 81 K C 2.151 178.806 176.600 0.091 0.000 1.049 81 K CA 1.356 57.733 56.287 0.150 0.000 0.933 81 K CB -0.173 32.368 32.500 0.069 0.000 0.717 81 K HN 0.295 nan 8.250 nan 0.000 0.442 82 R N 0.667 121.185 120.500 0.030 0.000 2.081 82 R HA -0.081 4.244 4.340 -0.024 0.000 0.235 82 R C 2.384 178.616 176.300 -0.114 0.000 1.131 82 R CA 1.357 57.442 56.100 -0.025 0.000 0.960 82 R CB -0.185 30.095 30.300 -0.033 0.000 0.856 82 R HN 0.151 nan 8.270 nan 0.000 0.436 83 R N -0.276 120.125 120.500 -0.164 0.000 2.081 83 R HA -0.080 4.246 4.340 -0.024 0.000 0.235 83 R C 2.451 178.277 176.300 -0.789 0.000 1.131 83 R CA 1.377 57.192 56.100 -0.475 0.000 0.960 83 R CB -0.544 29.529 30.300 -0.379 0.000 0.856 83 R HN 0.350 nan 8.270 nan 0.000 0.436 84 G N 0.752 109.357 108.800 -0.325 0.000 2.418 84 G HA2 -0.258 3.687 3.960 -0.024 0.000 0.217 84 G HA3 -0.258 3.687 3.960 -0.024 0.000 0.217 84 G C 1.324 176.322 174.900 0.163 0.000 1.158 84 G CA 0.335 45.414 45.100 -0.034 0.000 0.771 84 G HN 0.201 nan 8.290 nan 0.000 0.545 85 Q N 0.416 120.281 119.800 0.109 0.000 2.167 85 Q HA 0.040 4.366 4.340 -0.024 0.000 0.202 85 Q C 2.906 178.912 176.000 0.010 0.000 0.970 85 Q CA 1.289 57.162 55.803 0.117 0.000 0.855 85 Q CB -0.543 28.231 28.738 0.061 0.000 0.911 85 Q HN 0.475 nan 8.270 nan 0.000 0.438 86 A N -0.210 122.519 122.820 -0.151 0.000 1.897 86 A HA -0.140 4.165 4.320 -0.024 0.000 0.215 86 A C 1.929 179.409 177.584 -0.174 0.000 1.181 86 A CA 0.843 52.733 52.037 -0.244 0.000 0.620 86 A CB -0.864 17.902 19.000 -0.390 0.000 0.821 86 A HN 0.403 nan 8.150 nan 0.000 0.443 87 Y N -0.261 119.937 120.300 -0.170 0.000 2.128 87 Y HA -0.291 4.245 4.550 -0.023 0.000 0.284 87 Y C 2.609 178.462 175.900 -0.079 0.000 1.154 87 Y CA 1.482 59.483 58.100 -0.164 0.000 1.149 87 Y CB -0.105 38.197 38.460 -0.264 0.000 0.976 87 Y HN 0.271 nan 8.280 nan 0.000 0.505 88 K N 0.865 121.352 120.400 0.145 0.000 2.026 88 K HA -0.182 4.124 4.320 -0.024 0.000 0.208 88 K C 1.893 178.564 176.600 0.119 0.000 1.048 88 K CA 1.174 57.549 56.287 0.147 0.000 0.929 88 K CB -0.784 31.926 32.500 0.350 0.000 0.713 88 K HN 0.202 nan 8.250 nan 0.000 0.439 89 L N -0.391 120.887 121.223 0.092 0.000 2.046 89 L HA -0.109 4.217 4.340 -0.024 0.000 0.208 89 L C 1.842 178.783 176.870 0.118 0.000 1.077 89 L CA 1.765 56.631 54.840 0.043 0.000 0.747 89 L CB -0.710 41.334 42.059 -0.026 0.000 0.896 89 L HN 0.317 nan 8.230 nan 0.000 0.432 90 W N -0.114 121.129 121.300 -0.096 0.000 2.379 90 W HA -0.075 4.569 4.660 -0.025 0.000 0.307 90 W C 2.675 179.119 176.519 -0.125 0.000 1.200 90 W CA 1.792 59.063 57.345 -0.125 0.000 1.297 90 W CB -1.205 28.183 29.460 -0.120 0.000 1.140 90 W HN 0.316 nan 8.180 nan 0.000 0.507 91 A N 0.032 122.928 122.820 0.126 0.000 1.908 91 A HA -0.231 4.074 4.320 -0.024 0.000 0.218 91 A C 1.775 179.354 177.584 -0.009 0.000 1.181 91 A CA 2.190 54.231 52.037 0.007 0.000 0.627 91 A CB -0.903 18.087 19.000 -0.017 0.000 0.818 91 A HN 0.174 nan 8.150 nan 0.000 0.445 92 D N -0.339 120.071 120.400 0.017 0.000 2.218 92 D HA -0.128 4.498 4.640 -0.024 0.000 0.204 92 D C 1.996 178.279 176.300 -0.028 0.000 0.976 92 D CA 1.016 55.020 54.000 0.007 0.000 0.853 92 D CB -0.252 40.560 40.800 0.020 0.000 0.939 92 D HN 0.411 nan 8.370 nan 0.000 0.481 93 Q N 0.230 119.996 119.800 -0.057 0.000 2.181 93 Q HA -0.089 4.237 4.340 -0.024 0.000 0.205 93 Q C 0.675 176.619 176.000 -0.093 0.000 0.980 93 Q CA 0.935 56.684 55.803 -0.090 0.000 0.862 93 Q CB -0.455 28.196 28.738 -0.145 0.000 0.905 93 Q HN 0.444 nan 8.270 nan 0.000 0.429 94 N N -0.370 118.273 118.700 -0.095 0.000 2.351 94 N HA 0.269 4.995 4.740 -0.024 0.000 0.254 94 N C -0.520 174.962 175.510 -0.046 0.000 1.241 94 N CA -0.099 52.897 53.050 -0.089 0.000 0.883 94 N CB 0.697 39.105 38.487 -0.132 0.000 1.202 94 N HN 0.001 nan 8.380 nan 0.000 0.512 95 L N -0.200 121.007 121.223 -0.027 0.000 3.839 95 L HA -0.294 4.032 4.340 -0.024 0.000 0.416 95 L C 1.039 177.934 176.870 0.041 0.000 1.195 95 L CA 0.581 55.425 54.840 0.008 0.000 0.946 95 L CB -2.192 39.862 42.059 -0.008 0.000 1.891 95 L HN 0.508 nan 8.230 nan 0.000 0.963 96 G N -1.477 107.325 108.800 0.004 0.000 2.168 96 G HA2 -0.351 3.594 3.960 -0.024 0.000 0.257 96 G HA3 -0.351 3.594 3.960 -0.024 0.000 0.257 96 G C 0.708 175.594 174.900 -0.024 0.000 0.997 96 G CA 0.610 45.703 45.100 -0.011 0.000 0.708 96 G HN 0.340 nan 8.290 nan 0.000 0.520 97 M N -0.815 118.776 119.600 -0.015 0.000 2.541 97 M HA 0.361 4.827 4.480 -0.024 0.000 0.252 97 M C 1.483 177.711 176.300 -0.121 0.000 1.125 97 M CA 0.385 55.681 55.300 -0.005 0.000 1.091 97 M CB -0.164 32.526 32.600 0.150 0.000 1.420 97 M HN 0.474 nan 8.290 nan 0.000 0.486 98 M N 0.743 120.235 119.600 -0.180 0.000 2.094 98 M HA 0.346 4.811 4.480 -0.024 0.000 0.348 98 M C 0.972 177.050 176.300 -0.369 0.000 1.267 98 M CA -0.204 54.927 55.300 -0.282 0.000 1.125 98 M CB 0.900 33.310 32.600 -0.317 0.000 1.527 98 M HN 0.204 nan 8.290 nan 0.000 0.447 99 G N 3.466 111.964 108.800 -0.503 0.000 2.603 99 G HA2 -0.024 3.922 3.960 -0.024 0.000 0.214 99 G HA3 -0.024 3.922 3.960 -0.024 0.000 0.214 99 G C 0.763 175.380 174.900 -0.472 0.000 1.140 99 G CA 0.121 44.885 45.100 -0.560 0.000 0.800 99 G HN 0.545 nan 8.290 nan 0.000 0.533 100 R N 1.051 121.313 120.500 -0.397 0.000 2.865 100 R HA 0.279 4.605 4.340 -0.024 0.000 0.370 100 R C 0.369 176.480 176.300 -0.315 0.000 1.168 100 R CA -0.373 55.561 56.100 -0.277 0.000 1.058 100 R CB 0.315 30.589 30.300 -0.043 0.000 1.419 100 R HN 0.258 nan 8.270 nan 0.000 0.580 101 S N -1.058 114.421 115.700 -0.370 0.000 2.568 101 S HA 0.149 4.605 4.470 -0.024 0.000 0.282 101 S C -1.574 172.964 174.600 -0.104 0.000 1.338 101 S CA -0.948 57.023 58.200 -0.382 0.000 1.045 101 S CB 1.073 64.102 63.200 -0.285 0.000 0.873 101 S HN 0.025 nan 8.310 nan 0.000 0.516 102 P HA -0.191 nan 4.420 nan 0.000 0.218 102 P C 1.009 178.354 177.300 0.075 0.000 1.146 102 P CA 1.548 64.711 63.100 0.104 0.000 0.820 102 P CB -0.150 31.637 31.700 0.146 0.000 0.778 103 D N -1.607 118.869 120.400 0.127 0.000 2.263 103 D HA -0.236 4.390 4.640 -0.024 0.000 0.208 103 D C 1.865 178.160 176.300 -0.008 0.000 0.971 103 D CA 1.033 55.035 54.000 0.003 0.000 0.867 103 D CB -1.383 39.431 40.800 0.023 0.000 0.929 103 D HN 0.265 nan 8.370 nan 0.000 0.492 104 Y N 1.290 121.495 120.300 -0.158 0.000 2.163 104 Y HA -0.032 4.504 4.550 -0.024 0.000 0.288 104 Y C 2.160 177.954 175.900 -0.177 0.000 1.136 104 Y CA 1.353 59.315 58.100 -0.230 0.000 1.147 104 Y CB -0.274 38.029 38.460 -0.262 0.000 0.987 104 Y HN -0.095 nan 8.280 nan 0.000 0.509 105 L N 0.201 121.359 121.223 -0.108 0.000 2.240 105 L HA -0.157 4.169 4.340 -0.024 0.000 0.211 105 L C 1.882 178.671 176.870 -0.135 0.000 1.106 105 L CA 0.740 55.463 54.840 -0.194 0.000 0.793 105 L CB -0.554 41.451 42.059 -0.089 0.000 0.927 105 L HN 0.258 nan 8.230 nan 0.000 0.446 106 N N 0.667 119.277 118.700 -0.151 0.000 2.244 106 N HA -0.123 4.602 4.740 -0.024 0.000 0.183 106 N C 1.917 177.330 175.510 -0.161 0.000 1.016 106 N CA 1.377 54.278 53.050 -0.249 0.000 0.866 106 N CB -0.159 37.896 38.487 -0.720 0.000 0.980 106 N HN 0.283 nan 8.380 nan 0.000 0.430 107 A N 0.714 123.451 122.820 -0.138 0.000 1.902 107 A HA -0.078 4.228 4.320 -0.024 0.000 0.217 107 A C 2.490 180.030 177.584 -0.073 0.000 1.181 107 A CA 1.226 53.227 52.037 -0.060 0.000 0.623 107 A CB -0.713 18.284 19.000 -0.004 0.000 0.818 107 A HN 0.093 nan 8.150 nan 0.000 0.443 108 V N -0.404 119.419 119.914 -0.151 0.000 2.261 108 V HA -0.228 3.877 4.120 -0.024 0.000 0.246 108 V C 2.570 178.513 176.094 -0.252 0.000 1.047 108 V CA 2.063 64.249 62.300 -0.191 0.000 1.015 108 V CB -0.827 30.869 31.823 -0.212 0.000 0.642 108 V HN 0.368 nan 8.190 nan 0.000 0.446 109 V N -0.189 119.667 119.914 -0.096 0.000 2.407 109 V HA -0.297 3.809 4.120 -0.024 0.000 0.248 109 V C 2.398 178.565 176.094 0.122 0.000 1.055 109 V CA 2.123 64.460 62.300 0.062 0.000 1.049 109 V CB -0.675 31.312 31.823 0.274 0.000 0.662 109 V HN 0.527 nan 8.190 nan 0.000 0.455 110 M N 0.846 120.507 119.600 0.102 0.000 2.086 110 M HA -0.167 4.299 4.480 -0.024 0.000 0.261 110 M C 2.185 178.396 176.300 -0.147 0.000 1.067 110 M CA 2.707 57.988 55.300 -0.031 0.000 1.116 110 M CB -0.829 31.772 32.600 0.002 0.000 1.348 110 M HN 0.324 nan 8.290 nan 0.000 0.407 111 A N -0.497 122.285 122.820 -0.063 0.000 1.898 111 A HA -0.194 4.111 4.320 -0.024 0.000 0.216 111 A C 1.868 179.538 177.584 0.143 0.000 1.181 111 A CA 1.283 53.334 52.037 0.024 0.000 0.620 111 A CB -1.157 17.930 19.000 0.146 0.000 0.819 111 A HN 0.580 nan 8.150 nan 0.000 0.442 112 Y N 0.006 120.289 120.300 -0.029 0.000 2.165 112 Y HA -0.163 4.372 4.550 -0.024 0.000 0.286 112 Y C 2.971 178.855 175.900 -0.026 0.000 1.155 112 Y CA 0.485 58.601 58.100 0.027 0.000 1.164 112 Y CB -1.088 37.309 38.460 -0.106 0.000 0.978 112 Y HN 0.347 nan 8.280 nan 0.000 0.513 113 A N -0.302 122.530 122.820 0.020 0.000 1.898 113 A HA -0.046 4.259 4.320 -0.024 0.000 0.216 113 A C 2.509 180.010 177.584 -0.139 0.000 1.181 113 A CA 1.783 53.743 52.037 -0.128 0.000 0.620 113 A CB -1.174 17.582 19.000 -0.407 0.000 0.819 113 A HN 0.360 nan 8.150 nan 0.000 0.442 114 A N -0.718 122.003 122.820 -0.166 0.000 1.972 114 A HA -0.009 4.296 4.320 -0.024 0.000 0.219 114 A C 1.932 179.491 177.584 -0.043 0.000 1.169 114 A CA 1.817 53.793 52.037 -0.102 0.000 0.635 114 A CB -0.461 18.487 19.000 -0.088 0.000 0.810 114 A HN 0.419 nan 8.150 nan 0.000 0.446 115 S N -0.411 115.241 115.700 -0.080 0.000 2.561 115 S HA 0.461 4.916 4.470 -0.024 0.000 0.245 115 S C 1.501 175.899 174.600 -0.337 0.000 1.001 115 S CA 0.227 58.239 58.200 -0.313 0.000 1.002 115 S CB 0.309 63.266 63.200 -0.405 0.000 0.805 115 S HN 0.717 nan 8.310 nan 0.000 0.458 116 A N 2.147 124.932 122.820 -0.058 0.000 1.986 116 A HA -0.211 4.095 4.320 -0.024 0.000 0.220 116 A C 1.753 179.399 177.584 0.104 0.000 1.171 116 A CA 1.685 53.796 52.037 0.122 0.000 0.640 116 A CB -0.432 18.612 19.000 0.073 0.000 0.811 116 A HN 0.372 nan 8.150 nan 0.000 0.451 117 D N -1.772 118.606 120.400 -0.036 0.000 2.221 117 D HA -0.187 4.439 4.640 -0.024 0.000 0.204 117 D C 1.454 177.737 176.300 -0.030 0.000 0.982 117 D CA 1.357 55.373 54.000 0.027 0.000 0.857 117 D CB -0.431 40.461 40.800 0.153 0.000 0.934 117 D HN 0.695 nan 8.370 nan 0.000 0.475 118 Y N 0.370 120.399 120.300 -0.451 0.000 2.207 118 Y HA -0.243 4.293 4.550 -0.024 0.000 0.287 118 Y C 1.500 177.115 175.900 -0.475 0.000 1.156 118 Y CA 1.379 59.157 58.100 -0.535 0.000 1.182 118 Y CB -0.463 37.408 38.460 -0.982 0.000 0.979 118 Y HN -0.115 nan 8.280 nan 0.000 0.521 119 F N 0.320 120.201 119.950 -0.115 0.000 2.811 119 F HA 0.231 4.743 4.527 -0.024 0.000 0.301 119 F C 1.914 177.703 175.800 -0.019 0.000 1.151 119 F CA 0.541 58.499 58.000 -0.071 0.000 1.412 119 F CB -0.628 38.395 39.000 0.038 0.000 1.113 119 F HN 0.243 nan 8.300 nan 0.000 0.579 120 G N 1.169 109.992 108.800 0.039 0.000 2.629 120 G HA2 -0.449 3.497 3.960 -0.024 0.000 0.313 120 G HA3 -0.449 3.497 3.960 -0.024 0.000 0.313 120 G C 1.051 175.942 174.900 -0.014 0.000 1.217 120 G CA 0.834 45.930 45.100 -0.007 0.000 0.994 120 G HN 0.336 nan 8.290 nan 0.000 0.549 121 E N 0.475 120.586 120.200 -0.149 0.000 2.333 121 E HA 0.088 4.424 4.350 -0.024 0.000 0.198 121 E C 1.947 178.394 176.600 -0.255 0.000 1.007 121 E CA 1.352 57.587 56.400 -0.274 0.000 0.845 121 E CB -0.158 29.253 29.700 -0.482 0.000 0.766 121 E HN 0.416 nan 8.360 nan 0.000 0.507 122 F N -0.259 119.756 119.950 0.108 0.000 2.732 122 F HA 0.339 4.852 4.527 -0.024 0.000 0.303 122 F C 1.878 177.763 175.800 0.142 0.000 1.110 122 F CA -0.075 58.016 58.000 0.153 0.000 1.355 122 F CB -0.341 38.784 39.000 0.209 0.000 1.081 122 F HN -0.007 nan 8.300 nan 0.000 0.565 123 A N 0.162 123.133 122.820 0.252 0.000 1.883 123 A HA -0.257 4.049 4.320 -0.024 0.000 0.217 123 A C 2.224 179.889 177.584 0.136 0.000 1.186 123 A CA 2.097 54.247 52.037 0.189 0.000 0.624 123 A CB -0.571 18.512 19.000 0.138 0.000 0.822 123 A HN 0.286 nan 8.150 nan 0.000 0.444 124 E N 0.532 120.813 120.200 0.135 0.000 2.110 124 E HA -0.166 4.170 4.350 -0.024 0.000 0.193 124 E C 1.779 178.484 176.600 0.175 0.000 0.988 124 E CA 1.556 58.033 56.400 0.130 0.000 0.804 124 E CB -0.308 29.456 29.700 0.107 0.000 0.745 124 E HN 0.572 nan 8.360 nan 0.000 0.458 125 N N -0.390 118.458 118.700 0.248 0.000 2.104 125 N HA -0.133 4.593 4.740 -0.024 0.000 0.190 125 N C 1.775 177.460 175.510 0.292 0.000 1.024 125 N CA 1.427 54.685 53.050 0.348 0.000 0.853 125 N CB -0.395 38.397 38.487 0.508 0.000 1.008 125 N HN 0.089 nan 8.380 nan 0.000 0.424 126 V N 1.501 121.442 119.914 0.045 0.000 2.307 126 V HA -0.172 3.933 4.120 -0.024 0.000 0.245 126 V C 2.307 178.400 176.094 -0.002 0.000 1.045 126 V CA 1.469 63.587 62.300 -0.302 0.000 1.024 126 V CB -0.360 31.139 31.823 -0.540 0.000 0.651 126 V HN 0.284 nan 8.190 nan 0.000 0.449 127 R N 0.292 120.834 120.500 0.071 0.000 2.081 127 R HA -0.138 4.188 4.340 -0.024 0.000 0.235 127 R C 2.221 178.655 176.300 0.222 0.000 1.131 127 R CA 1.590 57.775 56.100 0.140 0.000 0.960 127 R CB -0.516 29.850 30.300 0.109 0.000 0.856 127 R HN 0.531 nan 8.270 nan 0.000 0.436 128 N N 0.243 119.067 118.700 0.206 0.000 2.188 128 N HA -0.184 4.541 4.740 -0.024 0.000 0.184 128 N C 1.611 177.280 175.510 0.266 0.000 1.018 128 N CA 1.082 54.257 53.050 0.209 0.000 0.858 128 N CB -0.298 38.305 38.487 0.192 0.000 0.989 128 N HN 0.241 nan 8.380 nan 0.000 0.426 129 Y N 0.829 121.253 120.300 0.207 0.000 2.200 129 Y HA -0.236 4.299 4.550 -0.024 0.000 0.290 129 Y C 2.433 178.495 175.900 0.271 0.000 1.137 129 Y CA 1.197 59.466 58.100 0.283 0.000 1.163 129 Y CB -0.708 37.943 38.460 0.317 0.000 0.988 129 Y HN 0.093 nan 8.280 nan 0.000 0.518 130 Y N 0.901 121.244 120.300 0.070 0.000 2.128 130 Y HA -0.238 4.297 4.550 -0.024 0.000 0.284 130 Y C 2.418 178.264 175.900 -0.090 0.000 1.154 130 Y CA 2.112 60.214 58.100 0.003 0.000 1.149 130 Y CB -0.566 37.926 38.460 0.053 0.000 0.976 130 Y HN -0.025 nan 8.280 nan 0.000 0.505 131 R N -1.187 119.206 120.500 -0.178 0.000 2.096 131 R HA -0.220 4.106 4.340 -0.024 0.000 0.235 131 R C 2.142 178.264 176.300 -0.297 0.000 1.127 131 R CA 1.666 57.573 56.100 -0.321 0.000 0.968 131 R CB -0.857 29.421 30.300 -0.037 0.000 0.861 131 R HN 0.502 nan 8.270 nan 0.000 0.440 132 Y N 1.666 121.799 120.300 -0.279 0.000 2.114 132 Y HA -0.182 4.353 4.550 -0.024 0.000 0.284 132 Y C 1.964 177.652 175.900 -0.353 0.000 1.143 132 Y CA 1.411 59.364 58.100 -0.244 0.000 1.135 132 Y CB -0.493 37.877 38.460 -0.149 0.000 0.980 132 Y HN -0.081 nan 8.280 nan 0.000 0.499 133 L N 0.057 120.936 121.223 -0.573 0.000 2.042 133 L HA -0.245 4.080 4.340 -0.024 0.000 0.210 133 L C 2.820 179.203 176.870 -0.811 0.000 1.076 133 L CA 1.861 56.358 54.840 -0.572 0.000 0.749 133 L CB -0.613 41.298 42.059 -0.247 0.000 0.893 133 L HN 0.212 nan 8.230 nan 0.000 0.432 134 R N 0.322 120.062 120.500 -1.266 0.000 2.070 134 R HA -0.176 4.150 4.340 -0.024 0.000 0.232 134 R C 1.907 177.646 176.300 -0.934 0.000 1.138 134 R CA 2.046 57.028 56.100 -1.862 0.000 0.936 134 R CB -0.201 29.069 30.300 -1.716 0.000 0.839 134 R HN 0.300 nan 8.270 nan 0.000 0.429 135 D N 0.444 120.474 120.400 -0.618 0.000 2.123 135 D HA -0.164 4.462 4.640 -0.024 0.000 0.196 135 D C 1.858 178.020 176.300 -0.230 0.000 0.992 135 D CA 1.162 54.991 54.000 -0.284 0.000 0.833 135 D CB -0.113 40.583 40.800 -0.172 0.000 0.954 135 D HN 0.347 nan 8.370 nan 0.000 0.455 136 Q N 0.126 119.727 119.800 -0.332 0.000 2.424 136 Q HA -0.029 4.296 4.340 -0.024 0.000 0.204 136 Q C -0.135 175.737 176.000 -0.213 0.000 0.933 136 Q CA 0.133 55.773 55.803 -0.273 0.000 0.929 136 Q CB 0.363 28.855 28.738 -0.409 0.000 1.037 136 Q HN 0.167 nan 8.270 nan 0.000 0.511 137 D N 0.596 120.857 120.400 -0.231 0.000 2.689 137 D HA -0.174 4.451 4.640 -0.024 0.000 0.237 137 D C -0.852 175.514 176.300 0.110 0.000 1.148 137 D CA 0.347 54.347 54.000 -0.000 0.000 0.656 137 D CB -1.187 39.664 40.800 0.085 0.000 1.050 137 D HN 0.210 nan 8.370 nan 0.000 0.426 138 L N -0.465 120.769 121.223 0.019 0.000 2.453 138 L HA 0.527 4.852 4.340 -0.024 0.000 0.261 138 L C 1.294 178.325 176.870 0.268 0.000 1.179 138 L CA -0.230 54.661 54.840 0.085 0.000 0.813 138 L CB 0.715 42.727 42.059 -0.077 0.000 1.110 138 L HN 0.224 nan 8.230 nan 0.000 0.466 139 A N 1.106 124.112 122.820 0.309 0.000 2.306 139 A HA 0.672 4.978 4.320 -0.024 0.000 0.314 139 A C -0.047 177.682 177.584 0.243 0.000 1.164 139 A CA -0.352 51.884 52.037 0.332 0.000 0.822 139 A CB 0.775 20.020 19.000 0.408 0.000 1.130 139 A HN 0.741 nan 8.150 nan 0.000 0.496 140 T N -1.105 113.594 114.554 0.241 0.000 2.916 140 T HA 0.778 5.113 4.350 -0.024 0.000 0.292 140 T C -0.204 174.624 174.700 0.213 0.000 1.055 140 T CA -0.481 61.740 62.100 0.202 0.000 1.009 140 T CB 1.798 70.781 68.868 0.191 0.000 1.118 140 T HN 0.845 nan 8.240 nan 0.000 0.497 141 T N 0.227 114.888 114.554 0.180 0.000 2.887 141 T HA 0.676 5.012 4.350 -0.024 0.000 0.292 141 T C -1.779 173.095 174.700 0.290 0.000 1.087 141 T CA -0.596 61.644 62.100 0.234 0.000 1.009 141 T CB 1.298 70.218 68.868 0.085 0.000 1.203 141 T HN 1.151 nan 8.240 nan 0.000 0.518 142 H N -0.476 118.660 119.070 0.111 0.000 3.017 142 H HA 0.792 5.333 4.556 -0.025 0.000 0.346 142 H C -1.856 173.542 175.328 0.116 0.000 1.286 142 H CA -1.045 55.041 56.048 0.063 0.000 1.120 142 H CB 1.285 31.052 29.762 0.008 0.000 1.860 142 H HN 0.837 nan 8.280 nan 0.000 0.542 143 A N 2.218 125.010 122.820 -0.046 0.000 2.442 143 A HA 0.493 4.798 4.320 -0.024 0.000 0.284 143 A C -0.418 177.178 177.584 0.019 0.000 1.058 143 A CA -0.680 51.316 52.037 -0.068 0.000 0.738 143 A CB 0.534 19.570 19.000 0.059 0.000 1.242 143 A HN 0.588 nan 8.150 nan 0.000 0.421 144 L N 1.482 122.719 121.223 0.023 0.000 2.817 144 L HA 0.197 4.522 4.340 -0.024 0.000 0.248 144 L C 1.075 177.999 176.870 0.090 0.000 1.133 144 L CA 0.574 55.487 54.840 0.123 0.000 0.935 144 L CB 0.358 42.535 42.059 0.197 0.000 1.266 144 L HN 0.797 nan 8.230 nan 0.000 0.535 145 T N -2.485 112.096 114.554 0.046 0.000 2.925 145 T HA 0.423 4.759 4.350 -0.024 0.000 0.285 145 T C 0.049 174.757 174.700 0.013 0.000 1.021 145 T CA -0.757 61.360 62.100 0.028 0.000 1.042 145 T CB 1.885 70.758 68.868 0.008 0.000 1.037 145 T HN -0.106 nan 8.240 nan 0.000 0.481 146 N N 2.324 121.017 118.700 -0.011 0.000 2.483 146 N HA 0.367 5.093 4.740 -0.024 0.000 0.269 146 N C -2.671 172.819 175.510 -0.034 0.000 1.209 146 N CA -1.676 51.351 53.050 -0.037 0.000 0.969 146 N CB 0.315 38.746 38.487 -0.093 0.000 1.173 146 N HN 0.469 nan 8.380 nan 0.000 0.475 147 P HA -0.043 nan 4.420 nan 0.000 0.262 147 P C -0.340 176.936 177.300 -0.041 0.000 1.182 147 P CA 0.225 63.309 63.100 -0.027 0.000 0.761 147 P CB 0.362 32.052 31.700 -0.017 0.000 0.795 148 Q N 3.151 122.926 119.800 -0.041 0.000 2.431 148 Q HA 0.123 4.449 4.340 -0.024 0.000 0.234 148 Q C -0.147 175.828 176.000 -0.041 0.000 1.203 148 Q CA -0.077 55.696 55.803 -0.049 0.000 0.902 148 Q CB -0.034 28.667 28.738 -0.062 0.000 1.455 148 Q HN 0.240 nan 8.270 nan 0.000 0.515 149 V N 2.929 122.819 119.914 -0.039 0.000 3.097 149 V HA 0.149 4.255 4.120 -0.024 0.000 0.223 149 V C 0.238 176.314 176.094 -0.030 0.000 1.199 149 V CA 0.120 62.401 62.300 -0.032 0.000 1.260 149 V CB 0.543 32.348 31.823 -0.031 0.000 1.155 149 V HN 0.629 nan 8.190 nan 0.000 0.509 150 N N 0.655 119.336 118.700 -0.032 0.000 2.746 150 N HA 0.217 4.943 4.740 -0.024 0.000 0.250 150 N C 0.625 176.117 175.510 -0.029 0.000 1.146 150 N CA -0.330 52.704 53.050 -0.027 0.000 0.828 150 N CB 0.887 39.361 38.487 -0.022 0.000 1.158 150 N HN -0.026 nan 8.380 nan 0.000 0.519 151 R N 1.301 121.783 120.500 -0.029 0.000 2.357 151 R HA 0.076 4.401 4.340 -0.024 0.000 0.202 151 R C 1.095 177.384 176.300 -0.019 0.000 1.047 151 R CA 0.471 56.555 56.100 -0.027 0.000 1.034 151 R CB -0.442 29.841 30.300 -0.029 0.000 0.875 151 R HN 0.533 nan 8.270 nan 0.000 0.473 152 A N 0.652 123.463 122.820 -0.016 0.000 2.169 152 A HA 0.049 4.355 4.320 -0.024 0.000 0.212 152 A C 0.676 178.255 177.584 -0.009 0.000 1.153 152 A CA 0.445 52.476 52.037 -0.010 0.000 0.756 152 A CB 0.208 19.202 19.000 -0.009 0.000 0.813 152 A HN -0.038 nan 8.150 nan 0.000 0.471 153 R N -0.282 120.210 120.500 -0.013 0.000 2.854 153 R HA 0.462 4.788 4.340 -0.024 0.000 0.271 153 R C -2.946 173.344 176.300 -0.016 0.000 0.996 153 R CA -2.181 53.912 56.100 -0.011 0.000 0.961 153 R CB 0.848 31.140 30.300 -0.012 0.000 1.182 153 R HN 0.099 nan 8.270 nan 0.000 0.479 154 P HA 0.240 nan 4.420 nan 0.000 0.275 154 P C -2.100 175.175 177.300 -0.041 0.000 1.266 154 P CA -1.297 61.797 63.100 -0.010 0.000 0.793 154 P CB 0.306 32.016 31.700 0.017 0.000 1.074 155 P HA -0.155 nan 4.420 nan 0.000 0.217 155 P C 1.558 178.746 177.300 -0.186 0.000 1.148 155 P CA 1.931 64.884 63.100 -0.245 0.000 0.828 155 P CB -0.339 31.135 31.700 -0.376 0.000 0.783 156 S N -2.176 113.560 115.700 0.060 0.000 2.603 156 S HA 0.140 4.596 4.470 -0.024 0.000 0.220 156 S C 1.631 176.263 174.600 0.053 0.000 0.967 156 S CA 0.506 58.804 58.200 0.164 0.000 0.920 156 S CB -0.887 62.426 63.200 0.189 0.000 0.773 156 S HN 0.173 nan 8.310 nan 0.000 0.529 157 G N 0.750 109.557 108.800 0.011 0.000 3.690 157 G HA2 0.296 4.241 3.960 -0.024 0.000 0.283 157 G HA3 0.296 4.241 3.960 -0.024 0.000 0.283 157 G C 0.244 175.136 174.900 -0.013 0.000 1.057 157 G CA -0.461 44.640 45.100 0.001 0.000 0.821 157 G HN 0.264 nan 8.290 nan 0.000 0.526 158 Q N 0.146 119.931 119.800 -0.026 0.000 2.316 158 Q HA 0.212 4.537 4.340 -0.024 0.000 0.215 158 Q C -1.510 174.482 176.000 -0.014 0.000 1.020 158 Q CA -1.759 54.026 55.803 -0.030 0.000 0.970 158 Q CB 0.663 29.370 28.738 -0.053 0.000 1.187 158 Q HN -0.074 nan 8.270 nan 0.000 0.546 159 P HA -0.108 nan 4.420 nan 0.000 0.221 159 P C -0.477 176.829 177.300 0.010 0.000 1.145 159 P CA 1.395 64.495 63.100 -0.000 0.000 0.795 159 P CB 0.327 32.026 31.700 -0.001 0.000 0.775 160 D N -3.811 116.596 120.400 0.012 0.000 2.756 160 D HA 0.208 4.834 4.640 -0.024 0.000 0.226 160 D C -2.201 174.105 176.300 0.010 0.000 1.186 160 D CA -2.127 51.891 54.000 0.030 0.000 0.845 160 D CB 1.257 42.095 40.800 0.063 0.000 1.610 160 D HN -0.321 nan 8.370 nan 0.000 0.465 161 P HA -0.046 nan 4.420 nan 0.000 0.220 161 P C -0.126 177.022 177.300 -0.255 0.000 1.148 161 P CA 1.024 64.028 63.100 -0.160 0.000 0.803 161 P CB 0.095 31.607 31.700 -0.313 0.000 0.782 162 Y N -1.635 118.740 120.300 0.125 0.000 2.801 162 Y HA 0.273 4.809 4.550 -0.024 0.000 0.318 162 Y C 1.624 177.569 175.900 0.076 0.000 1.073 162 Y CA -0.299 57.876 58.100 0.126 0.000 1.360 162 Y CB -0.747 37.766 38.460 0.088 0.000 1.220 162 Y HN -0.061 nan 8.280 nan 0.000 0.536 163 I N 0.660 121.294 120.570 0.106 0.000 2.339 163 I HA -0.016 4.140 4.170 -0.024 0.000 0.245 163 I C -1.527 174.609 176.117 0.032 0.000 1.096 163 I CA -0.149 61.183 61.300 0.054 0.000 1.408 163 I CB -0.563 37.435 38.000 -0.003 0.000 1.092 163 I HN 0.111 nan 8.210 nan 0.000 0.423 164 P HA 0.074 nan 4.420 nan 0.000 0.276 164 P C -0.712 176.633 177.300 0.076 0.000 1.252 164 P CA -0.089 62.937 63.100 -0.123 0.000 0.802 164 P CB 0.842 32.219 31.700 -0.539 0.000 1.035 165 V N 1.532 121.500 119.914 0.090 0.000 2.446 165 V HA 0.431 4.537 4.120 -0.024 0.000 0.276 165 V C 1.021 177.298 176.094 0.305 0.000 1.030 165 V CA 0.820 63.193 62.300 0.121 0.000 1.033 165 V CB -0.318 31.448 31.823 -0.097 0.000 0.993 165 V HN 0.759 nan 8.190 nan 0.000 0.477 166 G N 3.422 112.450 108.800 0.381 0.000 2.574 166 G HA2 0.587 4.532 3.960 -0.024 0.000 0.299 166 G HA3 0.587 4.532 3.960 -0.024 0.000 0.299 166 G C -1.098 173.964 174.900 0.271 0.000 1.298 166 G CA -0.706 44.612 45.100 0.364 0.000 0.952 166 G HN 0.471 nan 8.290 nan 0.000 0.477 167 V N 1.519 121.515 119.914 0.137 0.000 2.470 167 V HA 0.088 4.193 4.120 -0.024 0.000 0.276 167 V C 1.246 177.404 176.094 0.108 0.000 1.040 167 V CA -0.195 62.133 62.300 0.046 0.000 1.008 167 V CB 1.065 32.882 31.823 -0.010 0.000 0.990 167 V HN 0.538 nan 8.190 nan 0.000 0.477 168 V N 4.563 124.454 119.914 -0.040 0.000 2.500 168 V HA 0.080 4.186 4.120 -0.024 0.000 0.243 168 V C 0.663 176.731 176.094 -0.043 0.000 1.039 168 V CA 1.559 63.792 62.300 -0.112 0.000 1.053 168 V CB -0.439 31.223 31.823 -0.269 0.000 0.695 168 V HN 1.063 nan 8.190 nan 0.000 0.463 169 K N -0.702 119.660 120.400 -0.063 0.000 2.658 169 K HA 0.516 4.822 4.320 -0.024 0.000 0.293 169 K C -1.718 174.851 176.600 -0.051 0.000 1.026 169 K CA -0.861 55.405 56.287 -0.035 0.000 0.871 169 K CB 1.470 33.949 32.500 -0.035 0.000 1.524 169 K HN 0.038 nan 8.250 nan 0.000 0.400 170 Q N 0.828 120.632 119.800 0.006 0.000 2.365 170 Q HA 0.486 4.812 4.340 -0.024 0.000 0.269 170 Q C -0.950 175.104 176.000 0.090 0.000 1.061 170 Q CA -0.949 54.883 55.803 0.049 0.000 0.816 170 Q CB 2.546 31.405 28.738 0.203 0.000 1.325 170 Q HN 0.844 nan 8.270 nan 0.000 0.446 171 T N -3.033 111.583 114.554 0.103 0.000 2.742 171 T HA 0.215 4.550 4.350 -0.024 0.000 0.282 171 T C 0.856 175.730 174.700 0.291 0.000 1.025 171 T CA -0.711 61.464 62.100 0.126 0.000 1.020 171 T CB 1.046 69.931 68.868 0.029 0.000 1.317 171 T HN 0.633 nan 8.240 nan 0.000 0.538 172 E N 0.472 120.798 120.200 0.210 0.000 2.268 172 E HA -0.074 4.261 4.350 -0.024 0.000 0.195 172 E C 1.212 178.016 176.600 0.340 0.000 0.995 172 E CA 0.902 57.452 56.400 0.249 0.000 0.836 172 E CB -0.195 29.579 29.700 0.124 0.000 0.763 172 E HN 0.515 nan 8.360 nan 0.000 0.491 173 K N 0.558 121.078 120.400 0.200 0.000 2.284 173 K HA 0.226 4.531 4.320 -0.024 0.000 0.198 173 K C 1.170 177.690 176.600 -0.132 0.000 1.048 173 K CA 0.948 57.299 56.287 0.107 0.000 0.987 173 K CB 0.926 33.427 32.500 0.001 0.000 0.800 173 K HN 0.315 nan 8.250 nan 0.000 0.486 174 G N 0.896 109.388 108.800 -0.513 0.000 2.455 174 G HA2 0.174 4.119 3.960 -0.024 0.000 0.223 174 G HA3 0.174 4.119 3.960 -0.024 0.000 0.223 174 G C -1.513 172.739 174.900 -1.081 0.000 1.226 174 G CA -0.530 43.685 45.100 -1.475 0.000 0.948 174 G HN 0.092 nan 8.290 nan 0.000 0.478 175 I N -1.438 118.560 120.570 -0.954 0.000 2.603 175 I HA 0.858 5.014 4.170 -0.024 0.000 0.300 175 I C -0.695 175.161 176.117 -0.435 0.000 1.017 175 I CA -1.378 59.561 61.300 -0.601 0.000 1.098 175 I CB 2.210 39.859 38.000 -0.586 0.000 1.279 175 I HN 0.307 nan 8.210 nan 0.000 0.437 176 V N 5.605 125.342 119.914 -0.295 0.000 2.370 176 V HA 0.483 4.589 4.120 -0.024 0.000 0.283 176 V C 0.206 176.167 176.094 -0.221 0.000 1.023 176 V CA -0.548 61.611 62.300 -0.236 0.000 0.857 176 V CB 1.409 33.131 31.823 -0.169 0.000 0.985 176 V HN 0.657 nan 8.190 nan 0.000 0.443 177 V N 3.132 122.914 119.914 -0.220 0.000 2.715 177 V HA 0.820 4.925 4.120 -0.024 0.000 0.310 177 V C -0.463 175.583 176.094 -0.081 0.000 1.054 177 V CA -0.921 61.276 62.300 -0.173 0.000 0.928 177 V CB 1.884 33.538 31.823 -0.282 0.000 1.007 177 V HN 0.927 nan 8.190 nan 0.000 0.437 178 R N 1.535 122.009 120.500 -0.044 0.000 2.604 178 R HA 0.768 5.093 4.340 -0.024 0.000 0.281 178 R C -0.134 176.271 176.300 0.175 0.000 1.020 178 R CA 0.448 56.553 56.100 0.008 0.000 0.899 178 R CB 1.951 32.101 30.300 -0.250 0.000 1.205 178 R HN 1.835 nan 8.270 nan 0.000 0.450 179 G N 1.212 110.141 108.800 0.216 0.000 2.302 179 G HA2 0.370 4.316 3.960 -0.024 0.000 0.276 179 G HA3 0.370 4.316 3.960 -0.024 0.000 0.276 179 G C -1.889 173.177 174.900 0.276 0.000 1.316 179 G CA -0.320 44.917 45.100 0.229 0.000 0.988 179 G HN 0.898 nan 8.290 nan 0.000 0.479 180 A N -0.796 122.153 122.820 0.216 0.000 2.587 180 A HA 0.926 5.232 4.320 -0.024 0.000 0.293 180 A C -0.793 176.895 177.584 0.174 0.000 1.087 180 A CA -0.587 51.593 52.037 0.238 0.000 0.692 180 A CB 1.908 20.977 19.000 0.114 0.000 1.291 180 A HN 0.791 nan 8.150 nan 0.000 0.407 181 R N 0.796 121.410 120.500 0.191 0.000 2.514 181 R HA 0.398 4.724 4.340 -0.024 0.000 0.301 181 R C 0.683 177.024 176.300 0.070 0.000 0.962 181 R CA -0.880 55.293 56.100 0.121 0.000 0.882 181 R CB 1.374 31.771 30.300 0.162 0.000 1.143 181 R HN 0.935 nan 8.270 nan 0.000 0.452 182 M N 0.870 120.492 119.600 0.036 0.000 2.086 182 M HA -0.056 4.410 4.480 -0.024 0.000 0.261 182 M C -0.112 176.204 176.300 0.027 0.000 1.067 182 M CA 1.991 57.302 55.300 0.018 0.000 1.116 182 M CB 0.320 32.916 32.600 -0.006 0.000 1.348 182 M HN 0.493 nan 8.290 nan 0.000 0.407 183 T N 0.209 114.780 114.554 0.029 0.000 2.971 183 T HA 0.749 5.085 4.350 -0.024 0.000 0.304 183 T C -1.510 173.209 174.700 0.033 0.000 1.038 183 T CA -0.443 61.681 62.100 0.040 0.000 1.007 183 T CB 1.739 70.625 68.868 0.029 0.000 1.055 183 T HN 0.232 nan 8.240 nan 0.000 0.451 184 A N 2.409 125.281 122.820 0.086 0.000 2.375 184 A HA 0.744 5.049 4.320 -0.024 0.000 0.295 184 A C -0.061 177.599 177.584 0.125 0.000 1.066 184 A CA -0.710 51.385 52.037 0.097 0.000 0.722 184 A CB 1.014 20.150 19.000 0.226 0.000 1.206 184 A HN 0.668 nan 8.150 nan 0.000 0.435 185 T N 1.478 116.106 114.554 0.124 0.000 2.907 185 T HA 0.507 4.843 4.350 -0.024 0.000 0.284 185 T C -0.101 174.738 174.700 0.233 0.000 1.004 185 T CA 0.288 62.481 62.100 0.155 0.000 1.063 185 T CB 0.150 69.099 68.868 0.134 0.000 0.992 185 T HN 1.452 nan 8.240 nan 0.000 0.483 186 F N 3.323 123.283 119.950 0.017 0.000 2.685 186 F HA -0.122 4.390 4.527 -0.024 0.000 0.336 186 F C -1.925 173.857 175.800 -0.031 0.000 1.061 186 F CA -0.746 57.253 58.000 -0.001 0.000 1.118 186 F CB -0.656 38.333 39.000 -0.019 0.000 1.436 186 F HN 0.423 nan 8.300 nan 0.000 0.816 187 P HA 0.015 nan 4.420 nan 0.000 0.249 187 P C 0.523 177.399 177.300 -0.707 0.000 1.241 187 P CA 0.334 63.098 63.100 -0.559 0.000 0.781 187 P CB 0.167 31.547 31.700 -0.532 0.000 1.088 188 L N 0.237 120.933 121.223 -0.879 0.000 2.583 188 L HA 0.408 4.734 4.340 -0.024 0.000 0.239 188 L C 0.887 177.402 176.870 -0.590 0.000 1.347 188 L CA -0.385 54.041 54.840 -0.691 0.000 1.246 188 L CB -1.449 40.314 42.059 -0.492 0.000 1.496 188 L HN -0.044 nan 8.230 nan 0.000 0.413 189 A N -0.263 122.298 122.820 -0.432 0.000 2.485 189 A HA 0.589 4.895 4.320 -0.024 0.000 0.292 189 A C 0.623 178.169 177.584 -0.065 0.000 1.147 189 A CA -0.526 51.427 52.037 -0.141 0.000 0.750 189 A CB 1.417 20.351 19.000 -0.110 0.000 1.331 189 A HN 0.364 nan 8.150 nan 0.000 0.419 190 D N -0.034 120.404 120.400 0.063 0.000 2.213 190 D HA 0.039 4.665 4.640 -0.024 0.000 0.205 190 D C -0.191 176.181 176.300 0.120 0.000 0.961 190 D CA 1.018 55.062 54.000 0.075 0.000 0.853 190 D CB 0.521 41.385 40.800 0.105 0.000 0.967 190 D HN 0.539 nan 8.370 nan 0.000 0.496 191 E N 0.453 120.747 120.200 0.157 0.000 2.343 191 E HA 0.435 4.771 4.350 -0.024 0.000 0.270 191 E C -1.145 175.580 176.600 0.207 0.000 0.895 191 E CA -0.786 55.756 56.400 0.237 0.000 0.767 191 E CB 3.489 33.407 29.700 0.363 0.000 1.248 191 E HN -0.190 nan 8.360 nan 0.000 0.440 192 V N 2.787 122.846 119.914 0.242 0.000 2.588 192 V HA 0.452 4.558 4.120 -0.024 0.000 0.304 192 V C -1.239 174.925 176.094 0.117 0.000 1.042 192 V CA -0.652 61.780 62.300 0.221 0.000 0.877 192 V CB 1.287 33.328 31.823 0.363 0.000 0.996 192 V HN 0.485 nan 8.190 nan 0.000 0.425 193 L N 7.311 128.516 121.223 -0.030 0.000 2.265 193 L HA 0.551 4.876 4.340 -0.024 0.000 0.289 193 L C -0.587 176.054 176.870 -0.381 0.000 1.033 193 L CA -0.587 53.995 54.840 -0.430 0.000 0.814 193 L CB 1.484 42.984 42.059 -0.932 0.000 1.203 193 L HN 0.439 nan 8.230 nan 0.000 0.423 194 I N 4.295 124.625 120.570 -0.399 0.000 2.377 194 I HA 0.319 4.474 4.170 -0.024 0.000 0.282 194 I C -0.222 175.897 176.117 0.003 0.000 1.091 194 I CA -0.017 61.062 61.300 -0.368 0.000 1.207 194 I CB -0.178 37.210 38.000 -1.019 0.000 1.429 194 I HN 0.308 nan 8.210 nan 0.000 0.491 195 F N 5.540 125.504 119.950 0.025 0.000 2.518 195 F HA 0.661 5.174 4.527 -0.025 0.000 0.338 195 F C -1.881 174.064 175.800 0.241 0.000 1.065 195 F CA -3.061 55.050 58.000 0.185 0.000 1.012 195 F CB 0.271 39.485 39.000 0.356 0.000 1.297 195 F HN 0.124 nan 8.300 nan 0.000 0.489 196 P HA 0.116 nan 4.420 nan 0.000 0.274 196 P C -0.512 177.102 177.300 0.523 0.000 1.256 196 P CA -0.340 63.011 63.100 0.417 0.000 0.795 196 P CB 0.565 32.474 31.700 0.350 0.000 1.038 197 S N -0.743 115.167 115.700 0.349 0.000 2.593 197 S HA 0.128 4.583 4.470 -0.024 0.000 0.269 197 S C 1.250 175.998 174.600 0.248 0.000 1.334 197 S CA 0.303 58.653 58.200 0.250 0.000 1.015 197 S CB -0.287 63.009 63.200 0.159 0.000 0.912 197 S HN 0.595 nan 8.310 nan 0.000 0.541 198 T N 1.496 116.061 114.554 0.018 0.000 3.100 198 T HA 0.147 4.482 4.350 -0.024 0.000 0.253 198 T C 1.237 175.955 174.700 0.030 0.000 1.118 198 T CA 0.814 62.838 62.100 -0.126 0.000 1.058 198 T CB -0.606 68.111 68.868 -0.252 0.000 0.953 198 T HN 0.824 nan 8.240 nan 0.000 0.515 199 L N -2.731 118.530 121.223 0.064 0.000 3.503 199 L HA 0.570 4.895 4.340 -0.024 0.000 0.327 199 L C -0.201 176.712 176.870 0.071 0.000 1.108 199 L CA -0.575 54.297 54.840 0.053 0.000 1.214 199 L CB 0.156 42.223 42.059 0.014 0.000 1.806 199 L HN -0.006 nan 8.230 nan 0.000 0.610 200 L N 2.904 124.177 121.223 0.083 0.000 2.357 200 L HA 0.409 4.734 4.340 -0.024 0.000 0.273 200 L C 0.181 177.108 176.870 0.094 0.000 1.080 200 L CA -0.498 54.388 54.840 0.077 0.000 0.803 200 L CB 1.476 43.573 42.059 0.064 0.000 1.174 200 L HN 0.298 nan 8.230 nan 0.000 0.443 201 Q N 1.662 121.510 119.800 0.081 0.000 2.373 201 Q HA 0.257 4.583 4.340 -0.024 0.000 0.255 201 Q C 0.652 176.711 176.000 0.098 0.000 0.980 201 Q CA 0.060 55.917 55.803 0.090 0.000 0.882 201 Q CB 1.294 30.077 28.738 0.074 0.000 1.249 201 Q HN 0.736 nan 8.270 nan 0.000 0.438 202 A N 2.776 125.666 122.820 0.117 0.000 1.969 202 A HA 0.111 4.417 4.320 -0.024 0.000 0.218 202 A C 1.612 179.286 177.584 0.151 0.000 1.169 202 A CA 1.586 53.706 52.037 0.139 0.000 0.635 202 A CB -1.138 17.951 19.000 0.148 0.000 0.810 202 A HN 1.440 nan 8.150 nan 0.000 0.445 203 G N -1.866 107.009 108.800 0.124 0.000 4.365 203 G HA2 -0.235 3.710 3.960 -0.024 0.000 0.214 203 G HA3 -0.235 3.710 3.960 -0.024 0.000 0.214 203 G C 0.419 175.401 174.900 0.137 0.000 1.450 203 G CA 0.462 45.639 45.100 0.128 0.000 0.937 203 G HN 1.313 nan 8.290 nan 0.000 0.625 204 S N 0.084 115.900 115.700 0.193 0.000 2.569 204 S HA 0.580 5.035 4.470 -0.024 0.000 0.280 204 S C 0.517 175.125 174.600 0.013 0.000 1.111 204 S CA -0.020 58.227 58.200 0.079 0.000 0.887 204 S CB 2.280 65.493 63.200 0.023 0.000 1.095 204 S HN 0.470 nan 8.310 nan 0.000 0.476 205 E N 1.294 121.473 120.200 -0.035 0.000 2.160 205 E HA -0.198 4.137 4.350 -0.024 0.000 0.195 205 E C 1.624 178.168 176.600 -0.093 0.000 0.991 205 E CA 0.841 57.223 56.400 -0.029 0.000 0.810 205 E CB -0.049 29.640 29.700 -0.018 0.000 0.742 205 E HN 0.519 nan 8.360 nan 0.000 0.466 206 K N 0.394 120.634 120.400 -0.267 0.000 2.211 206 K HA -0.175 4.130 4.320 -0.024 0.000 0.204 206 K C 0.959 177.336 176.600 -0.372 0.000 1.047 206 K CA 1.266 57.311 56.287 -0.403 0.000 0.935 206 K CB 0.068 32.142 32.500 -0.709 0.000 0.728 206 K HN 0.172 nan 8.250 nan 0.000 0.452 207 Y N -0.840 119.478 120.300 0.031 0.000 2.444 207 Y HA 0.349 4.885 4.550 -0.023 0.000 0.249 207 Y C 0.636 176.576 175.900 0.066 0.000 1.134 207 Y CA -0.368 57.758 58.100 0.043 0.000 1.261 207 Y CB 0.260 38.736 38.460 0.027 0.000 1.143 207 Y HN -0.031 nan 8.280 nan 0.000 0.523 208 A N 2.066 124.983 122.820 0.163 0.000 2.899 208 A HA 0.474 4.780 4.320 -0.024 0.000 0.287 208 A C -0.288 177.378 177.584 0.138 0.000 1.715 208 A CA 0.175 52.300 52.037 0.147 0.000 1.393 208 A CB -1.463 17.603 19.000 0.110 0.000 1.070 208 A HN 0.369 nan 8.150 nan 0.000 0.587 209 L N 0.654 121.976 121.223 0.164 0.000 2.333 209 L HA 0.883 5.209 4.340 -0.024 0.000 0.263 209 L C 0.079 177.051 176.870 0.170 0.000 1.014 209 L CA -0.753 54.191 54.840 0.174 0.000 0.820 209 L CB 2.393 44.602 42.059 0.249 0.000 1.352 209 L HN 0.476 nan 8.230 nan 0.000 0.421 210 A N 2.217 125.135 122.820 0.163 0.000 2.509 210 A HA 0.757 5.062 4.320 -0.024 0.000 0.282 210 A C -1.250 176.392 177.584 0.096 0.000 1.054 210 A CA -0.337 51.785 52.037 0.143 0.000 0.820 210 A CB 0.726 19.760 19.000 0.058 0.000 1.333 210 A HN 0.616 nan 8.150 nan 0.000 0.409 211 F N -0.118 119.881 119.950 0.082 0.000 2.741 211 F HA 0.937 5.450 4.527 -0.023 0.000 0.313 211 F C -0.401 175.374 175.800 -0.041 0.000 1.153 211 F CA -0.812 56.979 58.000 -0.348 0.000 0.931 211 F CB 1.092 39.860 39.000 -0.387 0.000 1.335 211 F HN 1.017 nan 8.300 nan 0.000 0.460 212 A N 1.722 124.527 122.820 -0.024 0.000 2.435 212 A HA 0.921 5.226 4.320 -0.024 0.000 0.304 212 A C -1.845 175.842 177.584 0.173 0.000 1.064 212 A CA -0.839 51.225 52.037 0.045 0.000 0.727 212 A CB 1.650 20.519 19.000 -0.217 0.000 1.284 212 A HN 0.892 nan 8.150 nan 0.000 0.415 213 L N 1.167 122.546 121.223 0.259 0.000 2.424 213 L HA 0.486 4.812 4.340 -0.024 0.000 0.258 213 L C -2.711 174.313 176.870 0.257 0.000 0.995 213 L CA -2.224 52.769 54.840 0.256 0.000 0.821 213 L CB 3.051 45.291 42.059 0.302 0.000 1.383 213 L HN 0.405 nan 8.230 nan 0.000 0.410 214 P HA 0.068 nan 4.420 nan 0.000 0.271 214 P C 0.494 177.899 177.300 0.174 0.000 1.216 214 P CA -0.252 62.965 63.100 0.195 0.000 0.776 214 P CB 0.660 32.451 31.700 0.151 0.000 0.881 215 T N -2.418 112.227 114.554 0.153 0.000 3.163 215 T HA -0.081 4.254 4.350 -0.024 0.000 0.260 215 T C 1.131 175.924 174.700 0.155 0.000 1.156 215 T CA 1.077 63.288 62.100 0.185 0.000 1.072 215 T CB -0.813 68.042 68.868 -0.020 0.000 0.937 215 T HN 0.398 nan 8.240 nan 0.000 0.528 216 S N -0.190 115.559 115.700 0.081 0.000 2.540 216 S HA 0.169 4.625 4.470 -0.024 0.000 0.218 216 S C 0.610 175.222 174.600 0.020 0.000 0.977 216 S CA -0.602 57.620 58.200 0.037 0.000 0.918 216 S CB -0.502 62.705 63.200 0.011 0.000 0.806 216 S HN 0.374 nan 8.310 nan 0.000 0.496 217 T N 5.362 119.935 114.554 0.032 0.000 2.905 217 T HA 0.170 4.505 4.350 -0.024 0.000 0.299 217 T C -2.571 172.095 174.700 -0.057 0.000 1.024 217 T CA -0.262 61.839 62.100 0.001 0.000 1.151 217 T CB 0.142 69.024 68.868 0.024 0.000 0.987 217 T HN 0.217 nan 8.240 nan 0.000 0.535 218 P HA 0.203 nan 4.420 nan 0.000 0.265 218 P C 1.067 178.303 177.300 -0.107 0.000 1.193 218 P CA 0.829 63.891 63.100 -0.063 0.000 0.765 218 P CB 0.327 32.010 31.700 -0.028 0.000 0.823 219 G N 1.701 110.397 108.800 -0.173 0.000 2.217 219 G HA2 -0.248 3.698 3.960 -0.024 0.000 0.246 219 G HA3 -0.248 3.698 3.960 -0.024 0.000 0.246 219 G C -0.233 174.410 174.900 -0.428 0.000 0.990 219 G CA -0.122 44.866 45.100 -0.188 0.000 0.627 219 G HN 0.588 nan 8.290 nan 0.000 0.522 220 L N 2.647 123.552 121.223 -0.530 0.000 2.276 220 L HA 0.776 5.102 4.340 -0.024 0.000 0.286 220 L C -0.280 176.122 176.870 -0.780 0.000 1.061 220 L CA -1.010 53.440 54.840 -0.649 0.000 0.807 220 L CB 0.650 42.450 42.059 -0.432 0.000 1.177 220 L HN 0.256 nan 8.230 nan 0.000 0.429 221 H N 5.122 123.946 119.070 -0.410 0.000 2.717 221 H HA 0.394 4.935 4.556 -0.024 0.000 0.366 221 H C -1.439 173.655 175.328 -0.390 0.000 1.132 221 H CA -0.382 55.569 56.048 -0.162 0.000 1.180 221 H CB 1.501 31.207 29.762 -0.093 0.000 1.678 221 H HN 0.473 nan 8.280 nan 0.000 0.537 222 F N 1.473 121.551 119.950 0.214 0.000 2.382 222 F HA 0.243 4.756 4.527 -0.025 0.000 0.361 222 F C 0.190 176.111 175.800 0.201 0.000 1.109 222 F CA -0.775 57.297 58.000 0.120 0.000 1.031 222 F CB 1.445 40.475 39.000 0.050 0.000 1.234 222 F HN 0.123 nan 8.300 nan 0.000 0.445 223 V N 3.455 123.508 119.914 0.233 0.000 2.334 223 V HA 0.161 4.266 4.120 -0.024 0.000 0.267 223 V C 0.147 176.370 176.094 0.214 0.000 1.040 223 V CA -0.868 61.545 62.300 0.189 0.000 0.866 223 V CB 0.390 32.221 31.823 0.013 0.000 1.019 223 V HN 0.829 nan 8.190 nan 0.000 0.468 224 C N 6.039 125.519 119.300 0.300 0.000 2.652 224 C HA 0.422 4.868 4.460 -0.024 0.000 0.412 224 C C 1.211 176.342 174.990 0.236 0.000 1.294 224 C CA -0.726 58.489 59.018 0.328 0.000 2.127 224 C CB -0.151 27.922 27.740 0.554 0.000 2.691 224 C HN 1.034 nan 8.230 nan 0.000 0.615 225 R N 1.427 122.053 120.500 0.211 0.000 2.531 225 R HA 0.532 4.857 4.340 -0.024 0.000 0.260 225 R C -0.127 176.293 176.300 0.200 0.000 1.144 225 R CA -0.568 55.619 56.100 0.144 0.000 1.171 225 R CB 0.270 30.638 30.300 0.113 0.000 1.199 225 R HN 0.598 nan 8.270 nan 0.000 0.594 226 E N 0.431 120.711 120.200 0.132 0.000 2.529 226 E HA 0.067 4.403 4.350 -0.024 0.000 0.259 226 E C -0.770 175.953 176.600 0.206 0.000 0.966 226 E CA 0.495 56.990 56.400 0.159 0.000 0.937 226 E CB 0.441 30.196 29.700 0.092 0.000 0.923 226 E HN 0.636 nan 8.360 nan 0.000 0.468 227 A N 4.716 127.704 122.820 0.279 0.000 2.407 227 A HA 0.296 4.602 4.320 -0.024 0.000 0.248 227 A C 0.314 177.931 177.584 0.055 0.000 1.082 227 A CA -0.244 51.842 52.037 0.082 0.000 0.785 227 A CB 0.324 19.254 19.000 -0.116 0.000 1.020 227 A HN 0.763 nan 8.150 nan 0.000 0.489 228 L N 2.462 123.703 121.223 0.030 0.000 3.066 228 L HA 0.158 4.484 4.340 -0.024 0.000 0.265 228 L C -0.522 176.362 176.870 0.022 0.000 1.232 228 L CA -0.187 54.689 54.840 0.061 0.000 1.031 228 L CB 0.369 42.501 42.059 0.122 0.000 1.379 228 L HN 0.425 nan 8.230 nan 0.000 0.563 229 V N 1.037 120.915 119.914 -0.060 0.000 2.439 229 V HA 0.128 4.234 4.120 -0.024 0.000 0.271 229 V C 1.531 177.522 176.094 -0.172 0.000 1.040 229 V CA 0.393 62.616 62.300 -0.129 0.000 1.002 229 V CB 0.955 32.682 31.823 -0.161 0.000 1.000 229 V HN 0.457 nan 8.190 nan 0.000 0.477 230 G N 3.439 112.072 108.800 -0.277 0.000 2.464 230 G HA2 0.441 4.387 3.960 -0.024 0.000 0.217 230 G HA3 0.441 4.387 3.960 -0.024 0.000 0.217 230 G C 0.605 174.967 174.900 -0.896 0.000 1.138 230 G CA 0.750 45.506 45.100 -0.575 0.000 0.793 230 G HN 1.180 nan 8.290 nan 0.000 0.539 231 G N -1.070 107.364 108.800 -0.610 0.000 2.324 231 G HA2 0.308 4.254 3.960 -0.024 0.000 0.293 231 G HA3 0.308 4.254 3.960 -0.024 0.000 0.293 231 G C -0.882 173.984 174.900 -0.056 0.000 1.297 231 G CA 0.058 45.007 45.100 -0.251 0.000 0.853 231 G HN -0.111 nan 8.290 nan 0.000 0.535 232 D N -0.183 120.238 120.400 0.035 0.000 2.389 232 D HA 0.163 4.789 4.640 -0.024 0.000 0.206 232 D C 1.381 177.737 176.300 0.093 0.000 1.055 232 D CA 0.634 54.660 54.000 0.043 0.000 0.856 232 D CB 0.821 41.633 40.800 0.019 0.000 0.957 232 D HN 0.362 nan 8.370 nan 0.000 0.509 233 S N 2.488 118.288 115.700 0.165 0.000 2.498 233 S HA 0.081 4.537 4.470 -0.024 0.000 0.281 233 S C -1.309 173.391 174.600 0.166 0.000 1.265 233 S CA -1.121 57.180 58.200 0.168 0.000 1.071 233 S CB 1.267 64.588 63.200 0.201 0.000 0.894 233 S HN -0.076 nan 8.310 nan 0.000 0.491 234 P HA -0.058 nan 4.420 nan 0.000 0.223 234 P C 1.188 178.550 177.300 0.104 0.000 1.151 234 P CA 0.713 63.867 63.100 0.091 0.000 0.787 234 P CB -0.003 31.737 31.700 0.067 0.000 0.788 235 F N 1.934 121.890 119.950 0.010 0.000 2.098 235 F HA -0.095 4.418 4.527 -0.022 0.000 0.294 235 F C 1.681 177.464 175.800 -0.028 0.000 1.107 235 F CA 1.638 59.637 58.000 -0.002 0.000 1.234 235 F CB -0.466 38.536 39.000 0.003 0.000 1.002 235 F HN -0.239 nan 8.300 nan 0.000 0.472 236 D N -1.251 119.244 120.400 0.159 0.000 2.149 236 D HA -0.080 4.545 4.640 -0.024 0.000 0.201 236 D C 0.265 176.251 176.300 -0.523 0.000 0.972 236 D CA 1.504 55.398 54.000 -0.177 0.000 0.835 236 D CB -0.289 40.411 40.800 -0.166 0.000 0.966 236 D HN 0.440 nan 8.370 nan 0.000 0.476 237 H N -1.070 118.070 119.070 0.116 0.000 2.439 237 H HA 0.175 4.717 4.556 -0.025 0.000 0.228 237 H C -1.762 173.555 175.328 -0.018 0.000 1.423 237 H CA -1.197 54.907 56.048 0.093 0.000 1.386 237 H CB 1.381 31.189 29.762 0.077 0.000 1.641 237 H HN -0.036 nan 8.280 nan 0.000 0.508 238 P HA -0.209 nan 4.420 nan 0.000 0.217 238 P C 0.879 178.115 177.300 -0.107 0.000 1.148 238 P CA 1.348 64.421 63.100 -0.046 0.000 0.828 238 P CB 0.945 32.602 31.700 -0.070 0.000 0.783 239 L N -0.703 120.406 121.223 -0.189 0.000 2.433 239 L HA 0.054 4.380 4.340 -0.024 0.000 0.200 239 L C 2.776 179.207 176.870 -0.733 0.000 1.059 239 L CA 1.114 55.713 54.840 -0.402 0.000 0.835 239 L CB -0.818 41.011 42.059 -0.384 0.000 1.076 239 L HN -0.037 nan 8.230 nan 0.000 0.481 240 S N -0.401 114.828 115.700 -0.786 0.000 2.469 240 S HA -0.143 4.313 4.470 -0.024 0.000 0.238 240 S C 1.971 176.364 174.600 -0.345 0.000 0.998 240 S CA 1.126 58.875 58.200 -0.751 0.000 0.957 240 S CB -0.479 62.494 63.200 -0.379 0.000 0.764 240 S HN 0.474 nan 8.310 nan 0.000 0.514 241 S N 2.161 117.739 115.700 -0.203 0.000 2.522 241 S HA 0.054 4.510 4.470 -0.024 0.000 0.227 241 S C 1.713 176.245 174.600 -0.114 0.000 0.986 241 S CA 0.324 58.459 58.200 -0.110 0.000 0.929 241 S CB -0.388 62.803 63.200 -0.015 0.000 0.769 241 S HN 0.893 nan 8.310 nan 0.000 0.529 242 R N -0.417 119.984 120.500 -0.166 0.000 2.612 242 R HA 0.327 4.653 4.340 -0.024 0.000 0.260 242 R C 0.098 176.322 176.300 -0.127 0.000 0.943 242 R CA 0.250 56.278 56.100 -0.120 0.000 1.036 242 R CB 0.355 30.596 30.300 -0.098 0.000 1.520 242 R HN 0.335 nan 8.270 nan 0.000 0.563 243 V N 1.644 121.436 119.914 -0.204 0.000 3.006 243 V HA 0.198 4.303 4.120 -0.024 0.000 0.357 243 V C 0.014 176.146 176.094 0.064 0.000 1.377 243 V CA -0.284 61.955 62.300 -0.101 0.000 1.198 243 V CB 0.719 32.500 31.823 -0.070 0.000 1.216 243 V HN 0.162 nan 8.190 nan 0.000 0.520 244 E N 1.716 121.928 120.200 0.021 0.000 1.932 244 E HA 0.134 4.470 4.350 -0.024 0.000 0.275 244 E C 0.780 177.459 176.600 0.132 0.000 1.159 244 E CA 0.056 56.550 56.400 0.156 0.000 0.905 244 E CB 0.739 30.468 29.700 0.049 0.000 1.059 244 E HN 0.590 nan 8.360 nan 0.000 0.400 245 E N 2.905 123.191 120.200 0.142 0.000 2.204 245 E HA -0.104 4.231 4.350 -0.024 0.000 0.194 245 E C 0.442 177.174 176.600 0.220 0.000 0.989 245 E CA 0.168 56.689 56.400 0.203 0.000 0.824 245 E CB -0.119 29.643 29.700 0.103 0.000 0.756 245 E HN 0.403 nan 8.360 nan 0.000 0.477 246 M N 0.919 120.608 119.600 0.148 0.000 4.198 246 M HA -0.143 4.323 4.480 -0.024 0.000 0.157 246 M C -2.181 174.207 176.300 0.147 0.000 1.509 246 M CA 0.286 55.680 55.300 0.157 0.000 1.105 246 M CB 0.186 32.937 32.600 0.251 0.000 1.326 246 M HN -0.049 nan 8.290 nan 0.000 0.190 247 D N 4.214 124.699 120.400 0.142 0.000 2.457 247 D HA 0.859 5.485 4.640 -0.024 0.000 0.240 247 D C -0.691 175.704 176.300 0.158 0.000 1.041 247 D CA 0.295 54.375 54.000 0.133 0.000 0.861 247 D CB 1.484 42.348 40.800 0.106 0.000 1.394 247 D HN 1.064 nan 8.370 nan 0.000 0.473 248 C N -0.141 119.258 119.300 0.165 0.000 3.239 248 C HA 0.718 5.164 4.460 -0.024 0.000 0.317 248 C C -0.829 174.251 174.990 0.149 0.000 1.310 248 C CA -1.101 58.029 59.018 0.187 0.000 1.371 248 C CB 0.308 28.213 27.740 0.276 0.000 1.714 248 C HN 0.612 nan 8.230 nan 0.000 0.473 249 L N 2.374 123.661 121.223 0.106 0.000 2.326 249 L HA 0.728 5.054 4.340 -0.024 0.000 0.278 249 L C -0.263 176.611 176.870 0.006 0.000 1.092 249 L CA 0.135 55.004 54.840 0.049 0.000 0.810 249 L CB 1.246 43.315 42.059 0.016 0.000 1.153 249 L HN 0.718 nan 8.230 nan 0.000 0.439 250 V N 6.887 126.777 119.914 -0.041 0.000 2.347 250 V HA 0.416 4.521 4.120 -0.024 0.000 0.280 250 V C 0.233 176.196 176.094 -0.218 0.000 1.021 250 V CA -0.411 61.736 62.300 -0.254 0.000 0.847 250 V CB 0.983 32.677 31.823 -0.215 0.000 0.990 250 V HN 0.604 nan 8.190 nan 0.000 0.444 251 I N 4.892 125.256 120.570 -0.343 0.000 2.392 251 I HA 0.474 4.629 4.170 -0.024 0.000 0.295 251 I C -0.893 174.996 176.117 -0.381 0.000 0.985 251 I CA -0.249 60.941 61.300 -0.184 0.000 1.221 251 I CB 1.591 39.543 38.000 -0.080 0.000 1.366 251 I HN 0.440 nan 8.210 nan 0.000 0.467 252 F N 3.635 123.571 119.950 -0.022 0.000 2.366 252 F HA 0.207 4.719 4.527 -0.025 0.000 0.366 252 F C 0.117 175.909 175.800 -0.014 0.000 1.096 252 F CA -0.731 57.255 58.000 -0.024 0.000 1.060 252 F CB 0.883 39.890 39.000 0.012 0.000 1.282 252 F HN 0.356 nan 8.300 nan 0.000 0.450 253 D N 3.788 124.244 120.400 0.093 0.000 2.524 253 D HA 0.133 4.759 4.640 -0.024 0.000 0.222 253 D C -0.479 175.838 176.300 0.029 0.000 1.142 253 D CA -0.189 53.850 54.000 0.066 0.000 0.973 253 D CB -0.224 40.633 40.800 0.094 0.000 1.025 253 D HN 0.453 nan 8.370 nan 0.000 0.519 254 D N 1.342 121.747 120.400 0.008 0.000 2.803 254 D HA -0.162 4.463 4.640 -0.024 0.000 0.233 254 D C -0.525 175.755 176.300 -0.034 0.000 1.182 254 D CA 0.375 54.349 54.000 -0.045 0.000 0.726 254 D CB -0.721 40.039 40.800 -0.066 0.000 0.987 254 D HN 0.134 nan 8.370 nan 0.000 0.412 255 V N 0.851 120.768 119.914 0.005 0.000 2.583 255 V HA 0.263 4.369 4.120 -0.024 0.000 0.287 255 V C 0.653 176.685 176.094 -0.104 0.000 1.051 255 V CA -0.766 61.532 62.300 -0.004 0.000 1.010 255 V CB 1.530 33.444 31.823 0.151 0.000 0.988 255 V HN 0.287 nan 8.190 nan 0.000 0.478 256 L N 6.810 127.961 121.223 -0.121 0.000 2.265 256 L HA 0.491 4.816 4.340 -0.024 0.000 0.288 256 L C -0.281 176.442 176.870 -0.245 0.000 1.058 256 L CA 0.402 55.127 54.840 -0.192 0.000 0.809 256 L CB 1.320 43.291 42.059 -0.147 0.000 1.179 256 L HN 0.428 nan 8.230 nan 0.000 0.429 257 V N 7.869 127.545 119.914 -0.396 0.000 2.328 257 V HA 0.409 4.515 4.120 -0.024 0.000 0.278 257 V C -2.051 173.770 176.094 -0.455 0.000 1.021 257 V CA -1.634 60.388 62.300 -0.464 0.000 0.838 257 V CB 1.119 32.456 31.823 -0.810 0.000 0.999 257 V HN 0.739 nan 8.190 nan 0.000 0.447 258 P HA 0.035 nan 4.420 nan 0.000 0.267 258 P C 0.292 177.466 177.300 -0.210 0.000 1.200 258 P CA 0.153 63.121 63.100 -0.220 0.000 0.772 258 P CB 0.498 32.147 31.700 -0.086 0.000 0.855 259 W N 1.826 123.099 121.300 -0.045 0.000 2.331 259 W HA -0.209 4.437 4.660 -0.024 0.000 0.291 259 W C 2.047 178.580 176.519 0.024 0.000 1.214 259 W CA 1.222 58.567 57.345 0.001 0.000 1.228 259 W CB -0.475 29.019 29.460 0.058 0.000 1.135 259 W HN 0.514 nan 8.180 nan 0.000 0.537 260 E N -0.137 120.205 120.200 0.237 0.000 2.409 260 E HA -0.118 4.218 4.350 -0.024 0.000 0.198 260 E C 1.633 178.303 176.600 0.117 0.000 1.024 260 E CA 0.686 57.204 56.400 0.196 0.000 0.861 260 E CB -0.199 29.590 29.700 0.148 0.000 0.788 260 E HN 0.112 nan 8.360 nan 0.000 0.521 261 R N 0.923 121.388 120.500 -0.059 0.000 2.393 261 R HA 0.248 4.574 4.340 -0.024 0.000 0.244 261 R C -0.311 175.533 176.300 -0.761 0.000 0.920 261 R CA -0.078 55.835 56.100 -0.312 0.000 1.076 261 R CB 0.718 30.890 30.300 -0.212 0.000 1.119 261 R HN 0.046 nan 8.270 nan 0.000 0.524 262 V N 2.086 121.692 119.914 -0.514 0.000 2.432 262 V HA 0.168 4.274 4.120 -0.024 0.000 0.275 262 V C 0.588 176.230 176.094 -0.752 0.000 1.043 262 V CA -0.065 61.836 62.300 -0.666 0.000 0.925 262 V CB 0.992 32.530 31.823 -0.475 0.000 0.985 262 V HN 0.043 nan 8.190 nan 0.000 0.466 263 F N 3.871 123.568 119.950 -0.421 0.000 2.637 263 F HA 0.499 5.011 4.527 -0.024 0.000 0.284 263 F C 0.582 176.214 175.800 -0.280 0.000 1.105 263 F CA -0.336 57.421 58.000 -0.404 0.000 1.356 263 F CB 0.205 38.919 39.000 -0.477 0.000 1.096 263 F HN 0.199 nan 8.300 nan 0.000 0.616 264 I N 1.238 121.732 120.570 -0.127 0.000 2.607 264 I HA 0.378 4.533 4.170 -0.024 0.000 0.290 264 I C -1.795 174.298 176.117 -0.040 0.000 1.129 264 I CA -0.944 60.383 61.300 0.044 0.000 1.042 264 I CB 2.991 41.091 38.000 0.166 0.000 1.242 264 I HN -0.267 nan 8.210 nan 0.000 0.421 265 L N 5.615 126.890 121.223 0.087 0.000 2.446 265 L HA 0.685 5.010 4.340 -0.024 0.000 0.268 265 L C 0.547 177.511 176.870 0.156 0.000 0.975 265 L CA 0.240 55.153 54.840 0.121 0.000 0.848 265 L CB 1.586 43.772 42.059 0.212 0.000 1.225 265 L HN 0.815 nan 8.230 nan 0.000 0.410 266 G N 2.959 111.821 108.800 0.104 0.000 2.258 266 G HA2 -0.324 3.622 3.960 -0.024 0.000 0.274 266 G HA3 -0.324 3.622 3.960 -0.024 0.000 0.274 266 G C 0.165 175.110 174.900 0.075 0.000 1.021 266 G CA 0.623 45.769 45.100 0.077 0.000 0.798 266 G HN 0.773 nan 8.290 nan 0.000 0.507 267 N N 0.018 118.769 118.700 0.086 0.000 2.626 267 N HA 0.398 5.123 4.740 -0.024 0.000 0.242 267 N C 1.477 177.027 175.510 0.066 0.000 1.005 267 N CA -0.023 53.066 53.050 0.065 0.000 0.905 267 N CB 1.488 40.010 38.487 0.059 0.000 1.128 267 N HN -0.050 nan 8.380 nan 0.000 0.512 268 V N 3.349 123.300 119.914 0.062 0.000 2.332 268 V HA -0.241 3.864 4.120 -0.024 0.000 0.248 268 V C 1.656 177.794 176.094 0.073 0.000 1.055 268 V CA 1.765 64.110 62.300 0.075 0.000 1.038 268 V CB -0.245 31.618 31.823 0.067 0.000 0.651 268 V HN 0.564 nan 8.190 nan 0.000 0.450 269 E N 0.375 120.605 120.200 0.050 0.000 2.058 269 E HA -0.180 4.155 4.350 -0.024 0.000 0.194 269 E C 2.104 178.739 176.600 0.058 0.000 0.997 269 E CA 1.217 57.645 56.400 0.047 0.000 0.801 269 E CB -0.493 29.218 29.700 0.019 0.000 0.746 269 E HN 0.482 nan 8.360 nan 0.000 0.450 270 L N -0.124 121.108 121.223 0.014 0.000 2.083 270 L HA -0.210 4.115 4.340 -0.024 0.000 0.209 270 L C 2.275 179.223 176.870 0.129 0.000 1.083 270 L CA 0.798 55.633 54.840 -0.010 0.000 0.752 270 L CB -0.342 41.627 42.059 -0.150 0.000 0.899 270 L HN 0.299 nan 8.230 nan 0.000 0.433 271 C N -0.052 119.319 119.300 0.117 0.000 2.453 271 C HA -0.108 4.338 4.460 -0.024 0.000 0.277 271 C C 2.506 177.598 174.990 0.171 0.000 1.262 271 C CA 0.591 59.699 59.018 0.149 0.000 1.718 271 C CB -1.059 26.773 27.740 0.154 0.000 2.031 271 C HN 0.579 nan 8.230 nan 0.000 0.480 272 N N 1.581 120.371 118.700 0.149 0.000 2.443 272 N HA -0.065 4.661 4.740 -0.024 0.000 0.184 272 N C 0.865 176.464 175.510 0.149 0.000 1.037 272 N CA 0.946 54.085 53.050 0.147 0.000 0.896 272 N CB -0.444 38.111 38.487 0.112 0.000 0.959 272 N HN 0.631 nan 8.380 nan 0.000 0.442 273 N N -0.529 118.263 118.700 0.153 0.000 2.170 273 N HA 0.209 4.934 4.740 -0.024 0.000 0.222 273 N C 1.086 176.589 175.510 -0.012 0.000 1.218 273 N CA 0.038 53.158 53.050 0.118 0.000 0.889 273 N CB 0.720 39.298 38.487 0.152 0.000 1.083 273 N HN 0.057 nan 8.380 nan 0.000 0.520 274 A N 0.845 123.651 122.820 -0.024 0.000 1.859 274 A HA -0.197 4.108 4.320 -0.024 0.000 0.217 274 A C 1.655 179.011 177.584 -0.381 0.000 1.198 274 A CA 1.414 53.230 52.037 -0.368 0.000 0.629 274 A CB -0.916 17.912 19.000 -0.286 0.000 0.830 274 A HN 0.263 nan 8.150 nan 0.000 0.446 275 Y N -0.307 120.025 120.300 0.053 0.000 2.242 275 Y HA -0.014 4.522 4.550 -0.022 0.000 0.291 275 Y C 2.924 178.843 175.900 0.032 0.000 1.137 275 Y CA 0.970 59.150 58.100 0.133 0.000 1.181 275 Y CB -0.537 38.031 38.460 0.180 0.000 0.989 275 Y HN 0.335 nan 8.280 nan 0.000 0.527 276 A N 0.064 122.963 122.820 0.133 0.000 1.872 276 A HA -0.050 4.256 4.320 -0.024 0.000 0.214 276 A C 2.417 179.989 177.584 -0.019 0.000 1.187 276 A CA 1.606 53.677 52.037 0.057 0.000 0.614 276 A CB -1.210 17.819 19.000 0.048 0.000 0.826 276 A HN 0.379 nan 8.150 nan 0.000 0.442 277 A N -0.251 122.484 122.820 -0.141 0.000 1.898 277 A HA -0.084 4.221 4.320 -0.024 0.000 0.216 277 A C 2.401 179.898 177.584 -0.146 0.000 1.181 277 A CA 2.459 54.391 52.037 -0.175 0.000 0.620 277 A CB -1.257 17.512 19.000 -0.386 0.000 0.819 277 A HN 0.746 nan 8.150 nan 0.000 0.442 278 T N -4.576 109.780 114.554 -0.330 0.000 3.043 278 T HA 0.357 4.693 4.350 -0.024 0.000 0.263 278 T C 1.522 176.260 174.700 0.063 0.000 1.094 278 T CA 1.278 63.265 62.100 -0.188 0.000 1.127 278 T CB -0.030 68.715 68.868 -0.206 0.000 0.905 278 T HN 1.713 nan 8.240 nan 0.000 0.490 279 G N 0.586 109.446 108.800 0.101 0.000 2.176 279 G HA2 -0.147 3.799 3.960 -0.024 0.000 0.232 279 G HA3 -0.147 3.799 3.960 -0.024 0.000 0.232 279 G C 1.131 176.191 174.900 0.267 0.000 0.986 279 G CA 0.293 45.498 45.100 0.175 0.000 0.643 279 G HN 1.007 nan 8.290 nan 0.000 0.522 280 A N -0.202 122.783 122.820 0.276 0.000 1.933 280 A HA 0.262 4.567 4.320 -0.024 0.000 0.218 280 A C 2.360 180.126 177.584 0.304 0.000 1.175 280 A CA 2.219 54.438 52.037 0.304 0.000 0.628 280 A CB -0.255 18.951 19.000 0.343 0.000 0.814 280 A HN 1.310 nan 8.150 nan 0.000 0.444 281 L N 0.959 122.372 121.223 0.317 0.000 2.012 281 L HA -0.227 4.099 4.340 -0.024 0.000 0.210 281 L C 2.061 179.019 176.870 0.147 0.000 1.073 281 L CA 2.407 57.386 54.840 0.232 0.000 0.748 281 L CB -0.781 41.376 42.059 0.163 0.000 0.891 281 L HN 0.464 nan 8.230 nan 0.000 0.431 282 N N -1.461 117.286 118.700 0.079 0.000 2.084 282 N HA -0.223 4.503 4.740 -0.024 0.000 0.190 282 N C 1.769 177.258 175.510 -0.035 0.000 1.030 282 N CA 1.683 54.713 53.050 -0.033 0.000 0.849 282 N CB -0.499 37.901 38.487 -0.145 0.000 1.012 282 N HN 0.556 nan 8.380 nan 0.000 0.423 283 H N 1.560 120.709 119.070 0.131 0.000 2.389 283 H HA -0.013 4.529 4.556 -0.024 0.000 0.299 283 H C 2.426 177.811 175.328 0.094 0.000 1.081 283 H CA 1.201 57.350 56.048 0.168 0.000 1.345 283 H CB -0.091 29.754 29.762 0.138 0.000 1.393 283 H HN 0.410 nan 8.280 nan 0.000 0.520 284 M N -0.395 119.270 119.600 0.107 0.000 2.229 284 M HA 0.071 4.537 4.480 -0.024 0.000 0.264 284 M C 2.382 178.741 176.300 0.098 0.000 1.063 284 M CA 1.725 56.947 55.300 -0.130 0.000 1.114 284 M CB -0.356 32.005 32.600 -0.399 0.000 1.387 284 M HN 0.063 nan 8.290 nan 0.000 0.420 285 A N -0.088 122.883 122.820 0.253 0.000 2.066 285 A HA -0.145 4.160 4.320 -0.024 0.000 0.218 285 A C 2.083 179.765 177.584 0.162 0.000 1.157 285 A CA 1.400 53.633 52.037 0.327 0.000 0.670 285 A CB -1.378 17.762 19.000 0.232 0.000 0.804 285 A HN 0.808 nan 8.150 nan 0.000 0.453 286 H N -1.278 117.788 119.070 -0.006 0.000 2.357 286 H HA -0.115 4.426 4.556 -0.025 0.000 0.301 286 H C 2.289 177.460 175.328 -0.262 0.000 1.082 286 H CA 1.213 57.240 56.048 -0.035 0.000 1.342 286 H CB 0.084 29.931 29.762 0.142 0.000 1.389 286 H HN 0.502 nan 8.280 nan 0.000 0.511 287 Q N 0.968 120.426 119.800 -0.570 0.000 2.084 287 Q HA -0.106 4.219 4.340 -0.024 0.000 0.202 287 Q C 2.426 178.097 176.000 -0.547 0.000 0.978 287 Q CA 1.396 56.466 55.803 -1.221 0.000 0.844 287 Q CB -0.120 27.926 28.738 -1.153 0.000 0.898 287 Q HN 0.418 nan 8.270 nan 0.000 0.426 288 V N 0.420 120.194 119.914 -0.233 0.000 2.295 288 V HA -0.212 3.893 4.120 -0.024 0.000 0.246 288 V C 2.473 178.442 176.094 -0.208 0.000 1.049 288 V CA 1.622 63.833 62.300 -0.149 0.000 1.024 288 V CB -0.723 31.182 31.823 0.137 0.000 0.648 288 V HN 0.250 nan 8.190 nan 0.000 0.447 289 V N 0.062 119.861 119.914 -0.191 0.000 2.407 289 V HA -0.213 3.893 4.120 -0.024 0.000 0.248 289 V C 2.541 178.354 176.094 -0.468 0.000 1.055 289 V CA 2.153 64.316 62.300 -0.230 0.000 1.049 289 V CB -0.346 31.423 31.823 -0.091 0.000 0.662 289 V HN 0.522 nan 8.190 nan 0.000 0.455 290 A N -0.308 122.049 122.820 -0.771 0.000 1.898 290 A HA -0.148 4.158 4.320 -0.024 0.000 0.216 290 A C 2.105 179.399 177.584 -0.484 0.000 1.181 290 A CA 1.960 53.343 52.037 -1.090 0.000 0.620 290 A CB -0.669 17.738 19.000 -0.988 0.000 0.819 290 A HN 0.573 nan 8.150 nan 0.000 0.442 291 L N -0.390 120.610 121.223 -0.371 0.000 2.017 291 L HA -0.126 4.199 4.340 -0.024 0.000 0.208 291 L C 1.912 178.649 176.870 -0.221 0.000 1.073 291 L CA 2.136 56.824 54.840 -0.253 0.000 0.745 291 L CB -0.398 41.490 42.059 -0.285 0.000 0.894 291 L HN 0.132 nan 8.230 nan 0.000 0.432 292 K N -0.861 119.351 120.400 -0.313 0.000 2.288 292 K HA 0.008 4.314 4.320 -0.024 0.000 0.201 292 K C 1.998 178.449 176.600 -0.249 0.000 1.048 292 K CA 1.367 57.381 56.287 -0.456 0.000 0.956 292 K CB -0.896 31.012 32.500 -0.987 0.000 0.746 292 K HN 0.391 nan 8.250 nan 0.000 0.461 293 T N 1.336 115.819 114.554 -0.119 0.000 2.812 293 T HA -0.054 4.281 4.350 -0.024 0.000 0.264 293 T C 1.974 176.746 174.700 0.121 0.000 1.042 293 T CA 1.364 63.515 62.100 0.085 0.000 1.140 293 T CB -0.149 68.870 68.868 0.251 0.000 0.870 293 T HN 0.302 nan 8.240 nan 0.000 0.445 294 A N 1.591 124.452 122.820 0.068 0.000 1.902 294 A HA -0.115 4.190 4.320 -0.024 0.000 0.217 294 A C 2.223 179.882 177.584 0.125 0.000 1.181 294 A CA 1.890 53.983 52.037 0.093 0.000 0.623 294 A CB -0.515 18.511 19.000 0.043 0.000 0.818 294 A HN 0.448 nan 8.150 nan 0.000 0.443 295 K N -0.947 119.527 120.400 0.124 0.000 2.057 295 K HA -0.126 4.180 4.320 -0.024 0.000 0.207 295 K C 1.993 178.847 176.600 0.425 0.000 1.049 295 K CA 1.823 58.271 56.287 0.267 0.000 0.931 295 K CB -0.276 32.376 32.500 0.253 0.000 0.714 295 K HN 0.477 nan 8.250 nan 0.000 0.440 296 T N 1.081 115.840 114.554 0.342 0.000 2.821 296 T HA -0.105 4.231 4.350 -0.024 0.000 0.267 296 T C 1.358 176.246 174.700 0.312 0.000 1.046 296 T CA 1.361 63.685 62.100 0.374 0.000 1.139 296 T CB -0.131 68.948 68.868 0.350 0.000 0.871 296 T HN 0.383 nan 8.240 nan 0.000 0.454 297 E N 1.163 121.504 120.200 0.235 0.000 2.110 297 E HA -0.065 4.271 4.350 -0.024 0.000 0.193 297 E C 2.583 179.278 176.600 0.158 0.000 0.988 297 E CA 0.959 57.465 56.400 0.176 0.000 0.804 297 E CB -0.216 29.570 29.700 0.143 0.000 0.745 297 E HN 0.501 nan 8.360 nan 0.000 0.458 298 A N 0.869 123.793 122.820 0.174 0.000 1.877 298 A HA -0.162 4.144 4.320 -0.024 0.000 0.216 298 A C 1.895 179.508 177.584 0.048 0.000 1.186 298 A CA 1.111 53.199 52.037 0.085 0.000 0.620 298 A CB -0.762 18.273 19.000 0.059 0.000 0.822 298 A HN 0.163 nan 8.150 nan 0.000 0.443 299 F N -0.609 119.392 119.950 0.084 0.000 2.171 299 F HA -0.140 4.377 4.527 -0.017 0.000 0.300 299 F C 2.065 177.888 175.800 0.039 0.000 1.090 299 F CA 1.440 59.476 58.000 0.061 0.000 1.293 299 F CB -0.391 38.656 39.000 0.078 0.000 1.013 299 F HN 0.278 nan 8.300 nan 0.000 0.486 300 L N 0.322 121.681 121.223 0.226 0.000 2.017 300 L HA -0.035 4.290 4.340 -0.024 0.000 0.208 300 L C 2.411 179.319 176.870 0.064 0.000 1.073 300 L CA 2.246 57.164 54.840 0.130 0.000 0.745 300 L CB -1.520 40.610 42.059 0.118 0.000 0.894 300 L HN 0.107 nan 8.230 nan 0.000 0.432 301 G N -1.019 107.809 108.800 0.047 0.000 2.418 301 G HA2 -0.193 3.752 3.960 -0.024 0.000 0.217 301 G HA3 -0.193 3.752 3.960 -0.024 0.000 0.217 301 G C 1.511 176.392 174.900 -0.033 0.000 1.158 301 G CA 1.117 46.220 45.100 0.006 0.000 0.771 301 G HN 0.347 nan 8.290 nan 0.000 0.545 302 V N 1.495 121.369 119.914 -0.066 0.000 2.358 302 V HA -0.089 4.017 4.120 -0.024 0.000 0.246 302 V C 3.316 179.347 176.094 -0.105 0.000 1.047 302 V CA 1.923 64.148 62.300 -0.125 0.000 1.035 302 V CB -0.823 30.875 31.823 -0.209 0.000 0.658 302 V HN 0.477 nan 8.190 nan 0.000 0.452 303 A N 0.157 122.954 122.820 -0.038 0.000 1.877 303 A HA -0.147 4.159 4.320 -0.024 0.000 0.216 303 A C 2.438 180.010 177.584 -0.020 0.000 1.186 303 A CA 2.232 54.262 52.037 -0.012 0.000 0.620 303 A CB -0.844 18.184 19.000 0.047 0.000 0.822 303 A HN 0.565 nan 8.150 nan 0.000 0.443 304 A N -0.342 122.471 122.820 -0.011 0.000 1.877 304 A HA -0.043 4.263 4.320 -0.024 0.000 0.216 304 A C 2.188 179.760 177.584 -0.021 0.000 1.186 304 A CA 1.521 53.552 52.037 -0.010 0.000 0.620 304 A CB -0.624 18.375 19.000 -0.002 0.000 0.822 304 A HN 0.472 nan 8.150 nan 0.000 0.443 305 L N -1.317 119.881 121.223 -0.041 0.000 2.093 305 L HA -0.185 4.140 4.340 -0.024 0.000 0.208 305 L C 2.890 179.723 176.870 -0.063 0.000 1.085 305 L CA 1.336 56.147 54.840 -0.048 0.000 0.755 305 L CB -0.435 41.584 42.059 -0.067 0.000 0.904 305 L HN 0.441 nan 8.230 nan 0.000 0.435 306 M N -0.759 118.766 119.600 -0.126 0.000 2.086 306 M HA -0.195 4.271 4.480 -0.024 0.000 0.261 306 M C 2.549 178.864 176.300 0.024 0.000 1.067 306 M CA 1.917 57.118 55.300 -0.166 0.000 1.116 306 M CB -0.396 32.020 32.600 -0.307 0.000 1.348 306 M HN 0.330 nan 8.290 nan 0.000 0.407 307 A N 0.239 123.071 122.820 0.020 0.000 1.883 307 A HA -0.208 4.097 4.320 -0.024 0.000 0.217 307 A C 1.874 179.491 177.584 0.055 0.000 1.186 307 A CA 1.930 53.999 52.037 0.053 0.000 0.624 307 A CB -0.777 18.237 19.000 0.025 0.000 0.822 307 A HN 0.547 nan 8.150 nan 0.000 0.444 308 E N -0.869 119.349 120.200 0.031 0.000 2.072 308 E HA -0.094 4.242 4.350 -0.024 0.000 0.191 308 E C 2.164 178.797 176.600 0.055 0.000 0.985 308 E CA 0.683 57.100 56.400 0.029 0.000 0.801 308 E CB -0.391 29.317 29.700 0.013 0.000 0.750 308 E HN 0.615 nan 8.360 nan 0.000 0.452 309 G N 1.879 110.724 108.800 0.075 0.000 2.442 309 G HA2 -0.241 3.705 3.960 -0.024 0.000 0.219 309 G HA3 -0.241 3.705 3.960 -0.024 0.000 0.219 309 G C 1.578 176.569 174.900 0.151 0.000 1.141 309 G CA 1.130 46.302 45.100 0.120 0.000 0.763 309 G HN 0.405 nan 8.290 nan 0.000 0.554 310 I N -3.346 117.328 120.570 0.173 0.000 3.941 310 I HA 0.541 4.697 4.170 -0.024 0.000 0.335 310 I C 1.369 177.561 176.117 0.125 0.000 1.402 310 I CA 0.254 61.648 61.300 0.157 0.000 1.112 310 I CB 0.228 38.346 38.000 0.197 0.000 1.043 310 I HN 0.177 nan 8.210 nan 0.000 0.395 311 G N 1.775 110.633 108.800 0.096 0.000 2.153 311 G HA2 -0.338 3.608 3.960 -0.024 0.000 0.252 311 G HA3 -0.338 3.608 3.960 -0.024 0.000 0.252 311 G C 0.930 175.882 174.900 0.087 0.000 0.994 311 G CA 0.425 45.565 45.100 0.066 0.000 0.698 311 G HN 0.743 nan 8.290 nan 0.000 0.521 312 A N 0.585 123.487 122.820 0.136 0.000 2.169 312 A HA 0.248 4.553 4.320 -0.024 0.000 0.212 312 A C 2.055 179.706 177.584 0.112 0.000 1.153 312 A CA 1.644 53.816 52.037 0.225 0.000 0.756 312 A CB -0.189 18.928 19.000 0.195 0.000 0.813 312 A HN 0.725 nan 8.150 nan 0.000 0.471 313 D N 0.690 121.099 120.400 0.015 0.000 2.350 313 D HA -0.134 4.492 4.640 -0.024 0.000 0.216 313 D C 1.557 177.791 176.300 -0.109 0.000 0.968 313 D CA 1.521 55.500 54.000 -0.035 0.000 0.894 313 D CB -0.844 39.941 40.800 -0.025 0.000 0.909 313 D HN 0.501 nan 8.370 nan 0.000 0.520 314 V N -2.602 117.174 119.914 -0.231 0.000 3.217 314 V HA 0.054 4.160 4.120 -0.024 0.000 0.264 314 V C 0.325 176.146 176.094 -0.455 0.000 1.135 314 V CA -0.021 62.062 62.300 -0.361 0.000 1.142 314 V CB -1.501 30.038 31.823 -0.473 0.000 0.754 314 V HN -0.124 nan 8.190 nan 0.000 0.484 315 Y N 1.798 122.057 120.300 -0.069 0.000 2.316 315 Y HA 0.689 5.225 4.550 -0.024 0.000 0.331 315 Y C 1.780 177.600 175.900 -0.132 0.000 1.083 315 Y CA 0.007 58.051 58.100 -0.093 0.000 1.206 315 Y CB 1.131 39.505 38.460 -0.143 0.000 1.195 315 Y HN 0.078 nan 8.280 nan 0.000 0.497 316 G N 2.039 110.894 108.800 0.092 0.000 2.529 316 G HA2 -0.388 3.557 3.960 -0.024 0.000 0.219 316 G HA3 -0.388 3.557 3.960 -0.024 0.000 0.219 316 G C 1.372 176.300 174.900 0.046 0.000 1.177 316 G CA 1.725 46.859 45.100 0.058 0.000 0.773 316 G HN 0.989 nan 8.290 nan 0.000 0.573 317 H N -0.483 118.641 119.070 0.090 0.000 2.456 317 H HA 0.130 4.671 4.556 -0.024 0.000 0.296 317 H C 2.168 177.532 175.328 0.060 0.000 1.079 317 H CA 1.149 57.232 56.048 0.059 0.000 1.322 317 H CB -0.416 29.372 29.762 0.044 0.000 1.388 317 H HN 0.177 nan 8.280 nan 0.000 0.538 318 V N 1.055 120.674 119.914 -0.492 0.000 2.379 318 V HA -0.211 3.894 4.120 -0.024 0.000 0.245 318 V C 2.413 178.458 176.094 -0.081 0.000 1.044 318 V CA 2.003 64.152 62.300 -0.253 0.000 1.036 318 V CB -0.533 31.159 31.823 -0.218 0.000 0.664 318 V HN 0.499 nan 8.190 nan 0.000 0.453 319 Q N -0.119 119.640 119.800 -0.068 0.000 2.084 319 Q HA -0.250 4.075 4.340 -0.024 0.000 0.202 319 Q C 2.240 178.228 176.000 -0.020 0.000 0.978 319 Q CA 1.850 57.633 55.803 -0.034 0.000 0.844 319 Q CB -0.193 28.528 28.738 -0.029 0.000 0.898 319 Q HN 0.702 nan 8.270 nan 0.000 0.426 320 E N 0.902 121.100 120.200 -0.004 0.000 2.110 320 E HA -0.168 4.168 4.350 -0.024 0.000 0.193 320 E C 1.880 178.475 176.600 -0.010 0.000 0.988 320 E CA 0.929 57.330 56.400 0.002 0.000 0.804 320 E CB 0.051 29.772 29.700 0.035 0.000 0.745 320 E HN 0.231 nan 8.360 nan 0.000 0.458 321 K N 0.457 120.865 120.400 0.012 0.000 2.097 321 K HA -0.097 4.209 4.320 -0.024 0.000 0.206 321 K C 2.099 178.687 176.600 -0.019 0.000 1.049 321 K CA 0.986 57.279 56.287 0.010 0.000 0.933 321 K CB -0.052 32.480 32.500 0.053 0.000 0.717 321 K HN 0.128 nan 8.250 nan 0.000 0.442 322 I N 0.824 121.385 120.570 -0.014 0.000 2.315 322 I HA -0.227 3.928 4.170 -0.024 0.000 0.248 322 I C 2.421 178.512 176.117 -0.042 0.000 1.117 322 I CA 0.852 62.143 61.300 -0.014 0.000 1.404 322 I CB -0.305 37.692 38.000 -0.006 0.000 1.071 322 I HN 0.132 nan 8.210 nan 0.000 0.419 323 A N 0.162 122.950 122.820 -0.053 0.000 1.972 323 A HA -0.247 4.059 4.320 -0.024 0.000 0.219 323 A C 2.282 179.776 177.584 -0.149 0.000 1.169 323 A CA 1.685 53.678 52.037 -0.073 0.000 0.635 323 A CB -0.553 18.413 19.000 -0.055 0.000 0.810 323 A HN 0.469 nan 8.150 nan 0.000 0.446 324 E N -0.159 119.922 120.200 -0.198 0.000 2.077 324 E HA -0.157 4.179 4.350 -0.024 0.000 0.193 324 E C 1.812 178.023 176.600 -0.649 0.000 0.989 324 E CA 1.195 57.338 56.400 -0.429 0.000 0.800 324 E CB -0.194 29.312 29.700 -0.323 0.000 0.746 324 E HN 0.697 nan 8.360 nan 0.000 0.452 325 I N 0.737 121.135 120.570 -0.287 0.000 2.286 325 I HA -0.271 3.885 4.170 -0.024 0.000 0.248 325 I C 2.268 178.354 176.117 -0.052 0.000 1.115 325 I CA 0.839 62.076 61.300 -0.104 0.000 1.392 325 I CB -0.199 37.826 38.000 0.042 0.000 1.065 325 I HN 0.200 nan 8.210 nan 0.000 0.418 326 I N 0.037 120.565 120.570 -0.070 0.000 2.226 326 I HA -0.249 3.906 4.170 -0.024 0.000 0.245 326 I C 2.519 178.622 176.117 -0.025 0.000 1.100 326 I CA 1.122 62.411 61.300 -0.018 0.000 1.374 326 I CB -0.310 37.676 38.000 -0.023 0.000 1.057 326 I HN 0.014 nan 8.210 nan 0.000 0.413 327 V N 0.290 120.129 119.914 -0.126 0.000 2.343 327 V HA -0.299 3.806 4.120 -0.024 0.000 0.247 327 V C 2.320 178.460 176.094 0.076 0.000 1.051 327 V CA 1.883 64.133 62.300 -0.083 0.000 1.036 327 V CB -0.795 30.917 31.823 -0.184 0.000 0.654 327 V HN 0.301 nan 8.190 nan 0.000 0.451 328 Y N -0.560 119.783 120.300 0.072 0.000 2.242 328 Y HA -0.133 4.396 4.550 -0.035 0.000 0.291 328 Y C 2.163 178.159 175.900 0.160 0.000 1.137 328 Y CA 0.753 58.923 58.100 0.116 0.000 1.181 328 Y CB -1.084 37.443 38.460 0.111 0.000 0.989 328 Y HN 0.220 nan 8.280 nan 0.000 0.527 329 L N 0.526 121.917 121.223 0.281 0.000 2.017 329 L HA -0.151 4.175 4.340 -0.024 0.000 0.208 329 L C 2.090 179.072 176.870 0.188 0.000 1.073 329 L CA 1.915 56.894 54.840 0.233 0.000 0.745 329 L CB -0.666 41.497 42.059 0.174 0.000 0.894 329 L HN 0.041 nan 8.230 nan 0.000 0.432 330 E N 0.089 120.368 120.200 0.131 0.000 2.153 330 E HA -0.163 4.172 4.350 -0.024 0.000 0.194 330 E C 2.202 178.843 176.600 0.069 0.000 0.988 330 E CA 1.228 57.679 56.400 0.084 0.000 0.811 330 E CB -0.447 29.278 29.700 0.042 0.000 0.746 330 E HN 0.653 nan 8.360 nan 0.000 0.466 331 A N 1.231 124.107 122.820 0.093 0.000 1.877 331 A HA -0.173 4.133 4.320 -0.024 0.000 0.216 331 A C 2.174 179.788 177.584 0.051 0.000 1.186 331 A CA 1.519 53.554 52.037 -0.003 0.000 0.620 331 A CB -0.314 18.747 19.000 0.101 0.000 0.822 331 A HN 0.114 nan 8.150 nan 0.000 0.443 332 M N -0.645 119.112 119.600 0.261 0.000 2.175 332 M HA -0.053 4.413 4.480 -0.024 0.000 0.264 332 M C 2.131 178.653 176.300 0.369 0.000 1.063 332 M CA 1.320 56.844 55.300 0.373 0.000 1.119 332 M CB -1.270 31.503 32.600 0.288 0.000 1.377 332 M HN 0.399 nan 8.290 nan 0.000 0.415 333 R N -0.065 120.607 120.500 0.286 0.000 2.096 333 R HA -0.053 4.272 4.340 -0.024 0.000 0.235 333 R C 2.328 178.746 176.300 0.196 0.000 1.127 333 R CA 1.426 57.693 56.100 0.278 0.000 0.968 333 R CB -0.445 29.940 30.300 0.143 0.000 0.861 333 R HN 0.396 nan 8.270 nan 0.000 0.440 334 A N 0.625 123.499 122.820 0.089 0.000 1.873 334 A HA -0.147 4.159 4.320 -0.024 0.000 0.215 334 A C 1.827 179.463 177.584 0.087 0.000 1.186 334 A CA 1.148 53.185 52.037 -0.000 0.000 0.616 334 A CB -0.568 18.342 19.000 -0.150 0.000 0.823 334 A HN 0.173 nan 8.150 nan 0.000 0.442 335 F N -1.547 118.499 119.950 0.160 0.000 2.126 335 F HA -0.174 4.336 4.527 -0.030 0.000 0.299 335 F C 2.098 178.037 175.800 0.231 0.000 1.096 335 F CA 0.841 58.933 58.000 0.154 0.000 1.255 335 F CB -0.791 38.289 39.000 0.132 0.000 0.997 335 F HN 0.552 nan 8.300 nan 0.000 0.479 336 W N 1.454 122.911 121.300 0.262 0.000 2.333 336 W HA -0.207 4.438 4.660 -0.026 0.000 0.316 336 W C 2.397 178.999 176.519 0.137 0.000 1.215 336 W CA 2.441 59.904 57.345 0.198 0.000 1.278 336 W CB -1.177 28.395 29.460 0.186 0.000 1.154 336 W HN -0.064 nan 8.180 nan 0.000 0.486 337 T N 0.570 115.259 114.554 0.225 0.000 2.684 337 T HA -0.249 4.086 4.350 -0.024 0.000 0.267 337 T C 1.980 176.735 174.700 0.092 0.000 1.036 337 T CA 2.147 64.274 62.100 0.046 0.000 1.148 337 T CB -0.394 68.461 68.868 -0.021 0.000 0.863 337 T HN 0.156 nan 8.240 nan 0.000 0.436 338 R N 0.744 121.319 120.500 0.124 0.000 2.115 338 R HA 0.016 4.341 4.340 -0.024 0.000 0.230 338 R C 2.547 178.909 176.300 0.103 0.000 1.111 338 R CA 1.171 57.334 56.100 0.104 0.000 0.976 338 R CB -0.375 29.997 30.300 0.121 0.000 0.870 338 R HN 0.371 nan 8.270 nan 0.000 0.445 339 A N 0.941 123.846 122.820 0.143 0.000 1.933 339 A HA -0.190 4.116 4.320 -0.024 0.000 0.218 339 A C 1.817 179.395 177.584 -0.011 0.000 1.175 339 A CA 1.652 53.727 52.037 0.064 0.000 0.628 339 A CB -0.308 18.736 19.000 0.074 0.000 0.814 339 A HN 0.511 nan 8.150 nan 0.000 0.444 340 E N -0.705 119.517 120.200 0.036 0.000 2.086 340 E HA -0.100 4.235 4.350 -0.024 0.000 0.190 340 E C 1.880 178.489 176.600 0.015 0.000 0.975 340 E CA 0.778 57.184 56.400 0.010 0.000 0.813 340 E CB -0.119 29.635 29.700 0.089 0.000 0.768 340 E HN 0.472 nan 8.360 nan 0.000 0.457 341 E N 0.918 121.133 120.200 0.025 0.000 2.204 341 E HA -0.125 4.211 4.350 -0.024 0.000 0.194 341 E C 1.202 177.810 176.600 0.014 0.000 0.989 341 E CA 0.826 57.236 56.400 0.016 0.000 0.824 341 E CB 0.088 29.797 29.700 0.014 0.000 0.756 341 E HN 0.204 nan 8.360 nan 0.000 0.477 342 E N 0.112 120.322 120.200 0.016 0.000 2.451 342 E HA 0.227 4.563 4.350 -0.024 0.000 0.194 342 E C 0.072 176.672 176.600 -0.000 0.000 1.027 342 E CA -0.250 56.157 56.400 0.012 0.000 0.914 342 E CB 0.278 29.992 29.700 0.024 0.000 1.054 342 E HN 0.063 nan 8.360 nan 0.000 0.461 343 A N 1.420 124.235 122.820 -0.008 0.000 2.483 343 A HA 0.247 4.553 4.320 -0.024 0.000 0.238 343 A C 0.330 177.911 177.584 -0.006 0.000 1.070 343 A CA 0.424 52.450 52.037 -0.019 0.000 0.770 343 A CB 0.395 19.382 19.000 -0.022 0.000 1.008 343 A HN 0.016 nan 8.150 nan 0.000 0.497 344 K N 0.954 121.350 120.400 -0.007 0.000 2.533 344 K HA 0.361 4.666 4.320 -0.024 0.000 0.272 344 K C -1.048 175.558 176.600 0.010 0.000 0.985 344 K CA -0.741 55.546 56.287 0.000 0.000 0.876 344 K CB 2.071 34.566 32.500 -0.008 0.000 1.452 344 K HN 0.808 nan 8.250 nan 0.000 0.439 345 E N 1.766 121.974 120.200 0.013 0.000 2.354 345 E HA 0.016 4.352 4.350 -0.024 0.000 0.269 345 E C -0.168 176.440 176.600 0.014 0.000 1.036 345 E CA -0.433 55.982 56.400 0.025 0.000 0.876 345 E CB 0.680 30.393 29.700 0.022 0.000 1.009 345 E HN 0.446 nan 8.360 nan 0.000 0.416 346 N N 1.153 119.873 118.700 0.033 0.000 2.495 346 N HA 0.126 4.852 4.740 -0.024 0.000 0.294 346 N C 0.590 176.076 175.510 -0.041 0.000 1.276 346 N CA -0.023 53.035 53.050 0.013 0.000 0.973 346 N CB 0.043 38.568 38.487 0.064 0.000 1.143 346 N HN 0.382 nan 8.380 nan 0.000 0.589 347 A N -1.410 121.330 122.820 -0.134 0.000 2.076 347 A HA -0.117 4.189 4.320 -0.024 0.000 0.220 347 A C 0.902 178.214 177.584 -0.454 0.000 1.160 347 A CA 1.084 52.925 52.037 -0.326 0.000 0.653 347 A CB -1.064 17.649 19.000 -0.479 0.000 0.801 347 A HN 0.646 nan 8.150 nan 0.000 0.455 348 Y N -1.265 119.039 120.300 0.007 0.000 2.485 348 Y HA 0.389 4.924 4.550 -0.024 0.000 0.260 348 Y C 1.758 177.667 175.900 0.014 0.000 1.173 348 Y CA -0.007 58.101 58.100 0.014 0.000 1.252 348 Y CB 0.020 38.491 38.460 0.017 0.000 1.123 348 Y HN 0.394 nan 8.280 nan 0.000 0.524 349 G N 0.577 109.427 108.800 0.084 0.000 2.159 349 G HA2 -0.304 3.642 3.960 -0.024 0.000 0.256 349 G HA3 -0.304 3.642 3.960 -0.024 0.000 0.256 349 G C -0.169 174.779 174.900 0.079 0.000 0.977 349 G CA 0.087 45.226 45.100 0.065 0.000 0.652 349 G HN 0.251 nan 8.290 nan 0.000 0.531 350 L N 1.153 122.445 121.223 0.114 0.000 2.290 350 L HA 0.767 5.093 4.340 -0.024 0.000 0.284 350 L C 0.484 177.428 176.870 0.124 0.000 1.078 350 L CA -1.106 53.804 54.840 0.116 0.000 0.815 350 L CB 0.993 43.137 42.059 0.141 0.000 1.162 350 L HN 0.243 nan 8.230 nan 0.000 0.435 351 L N 7.316 128.611 121.223 0.121 0.000 2.418 351 L HA 0.425 4.751 4.340 -0.024 0.000 0.274 351 L C -0.453 176.522 176.870 0.175 0.000 1.135 351 L CA 0.275 55.182 54.840 0.111 0.000 0.870 351 L CB 0.634 42.747 42.059 0.091 0.000 1.154 351 L HN 0.536 nan 8.230 nan 0.000 0.462 352 V N 4.636 124.587 119.914 0.060 0.000 2.656 352 V HA 0.750 4.856 4.120 -0.024 0.000 0.307 352 V C -2.520 173.480 176.094 -0.156 0.000 1.051 352 V CA -1.968 60.273 62.300 -0.098 0.000 0.893 352 V CB 1.427 33.214 31.823 -0.061 0.000 0.999 352 V HN 0.737 nan 8.190 nan 0.000 0.426 353 P HA 0.105 nan 4.420 nan 0.000 0.269 353 P C -0.437 176.787 177.300 -0.128 0.000 1.215 353 P CA 0.157 63.128 63.100 -0.215 0.000 0.780 353 P CB 0.590 32.067 31.700 -0.371 0.000 0.898 354 D N 1.057 121.416 120.400 -0.068 0.000 2.520 354 D HA -0.087 4.539 4.640 -0.024 0.000 0.243 354 D C 1.582 177.867 176.300 -0.024 0.000 1.160 354 D CA 0.270 54.255 54.000 -0.026 0.000 0.877 354 D CB 0.427 41.235 40.800 0.013 0.000 1.150 354 D HN 0.249 nan 8.370 nan 0.000 0.494 355 R N 2.817 123.303 120.500 -0.023 0.000 2.115 355 R HA -0.060 4.266 4.340 -0.024 0.000 0.230 355 R C 2.073 178.368 176.300 -0.008 0.000 1.111 355 R CA 1.392 57.475 56.100 -0.027 0.000 0.976 355 R CB -0.292 29.994 30.300 -0.023 0.000 0.870 355 R HN 0.626 nan 8.270 nan 0.000 0.445 356 G N 0.157 108.983 108.800 0.044 0.000 2.446 356 G HA2 -0.316 3.630 3.960 -0.024 0.000 0.217 356 G HA3 -0.316 3.630 3.960 -0.024 0.000 0.217 356 G C 1.504 176.437 174.900 0.056 0.000 1.168 356 G CA 0.839 46.001 45.100 0.103 0.000 0.771 356 G HN 0.473 nan 8.290 nan 0.000 0.551 357 A N 0.338 123.211 122.820 0.087 0.000 1.902 357 A HA 0.132 4.437 4.320 -0.024 0.000 0.217 357 A C 2.444 179.974 177.584 -0.090 0.000 1.181 357 A CA 1.291 53.423 52.037 0.159 0.000 0.623 357 A CB -0.345 18.792 19.000 0.229 0.000 0.818 357 A HN 0.363 nan 8.150 nan 0.000 0.443 358 L N -0.896 120.272 121.223 -0.092 0.000 2.179 358 L HA -0.104 4.222 4.340 -0.024 0.000 0.208 358 L C 1.879 178.588 176.870 -0.268 0.000 1.096 358 L CA 1.022 55.768 54.840 -0.157 0.000 0.779 358 L CB -0.509 41.506 42.059 -0.072 0.000 0.922 358 L HN 0.238 nan 8.230 nan 0.000 0.443 359 D N 0.217 120.472 120.400 -0.242 0.000 2.178 359 D HA -0.107 4.518 4.640 -0.024 0.000 0.202 359 D C 2.113 178.180 176.300 -0.388 0.000 0.974 359 D CA 1.315 55.139 54.000 -0.292 0.000 0.841 359 D CB -0.121 40.555 40.800 -0.207 0.000 0.953 359 D HN 0.288 nan 8.370 nan 0.000 0.478 360 G N 0.693 109.216 108.800 -0.461 0.000 2.404 360 G HA2 -0.174 3.772 3.960 -0.024 0.000 0.215 360 G HA3 -0.174 3.772 3.960 -0.024 0.000 0.215 360 G C 1.710 175.980 174.900 -1.051 0.000 1.174 360 G CA 1.205 45.917 45.100 -0.647 0.000 0.780 360 G HN 0.375 nan 8.290 nan 0.000 0.537 361 A N 1.657 123.611 122.820 -1.443 0.000 1.877 361 A HA -0.077 4.228 4.320 -0.024 0.000 0.216 361 A C 2.378 179.788 177.584 -0.290 0.000 1.186 361 A CA 2.019 53.529 52.037 -0.879 0.000 0.620 361 A CB -0.445 18.256 19.000 -0.498 0.000 0.822 361 A HN 0.494 nan 8.150 nan 0.000 0.443 362 R N -0.546 119.799 120.500 -0.258 0.000 2.235 362 R HA 0.040 4.365 4.340 -0.024 0.000 0.213 362 R C 0.905 177.110 176.300 -0.157 0.000 1.059 362 R CA 1.651 57.671 56.100 -0.132 0.000 0.997 362 R CB -0.536 29.630 30.300 -0.224 0.000 0.884 362 R HN 0.554 nan 8.270 nan 0.000 0.462 363 N N -0.164 118.412 118.700 -0.205 0.000 2.322 363 N HA 0.034 4.759 4.740 -0.024 0.000 0.181 363 N C 1.128 176.651 175.510 0.023 0.000 1.088 363 N CA -0.074 52.908 53.050 -0.113 0.000 0.885 363 N CB 0.392 38.661 38.487 -0.362 0.000 1.013 363 N HN 0.063 nan 8.380 nan 0.000 0.472 364 L N -0.755 120.456 121.223 -0.020 0.000 2.221 364 L HA 0.186 4.511 4.340 -0.024 0.000 0.202 364 L C 1.633 178.535 176.870 0.053 0.000 1.074 364 L CA 1.145 56.018 54.840 0.055 0.000 0.795 364 L CB -0.533 41.611 42.059 0.142 0.000 0.960 364 L HN 0.095 nan 8.230 nan 0.000 0.458 365 Y N 1.367 121.652 120.300 -0.024 0.000 2.207 365 Y HA -0.123 4.420 4.550 -0.012 0.000 0.287 365 Y C -0.696 175.192 175.900 -0.020 0.000 1.156 365 Y CA 1.655 59.752 58.100 -0.005 0.000 1.182 365 Y CB -1.437 37.049 38.460 0.043 0.000 0.979 365 Y HN 0.236 nan 8.280 nan 0.000 0.521 366 P HA -0.121 nan 4.420 nan 0.000 0.222 366 P C 1.021 178.210 177.300 -0.185 0.000 1.147 366 P CA 1.820 64.848 63.100 -0.121 0.000 0.790 366 P CB 0.029 31.641 31.700 -0.145 0.000 0.780 367 R N -1.303 119.086 120.500 -0.185 0.000 2.112 367 R HA 0.159 4.485 4.340 -0.024 0.000 0.216 367 R C 2.167 178.293 176.300 -0.291 0.000 1.080 367 R CA 0.675 56.652 56.100 -0.205 0.000 0.996 367 R CB -0.612 29.596 30.300 -0.153 0.000 0.902 367 R HN 0.216 nan 8.270 nan 0.000 0.449 368 L N -0.609 120.367 121.223 -0.412 0.000 2.109 368 L HA -0.112 4.213 4.340 -0.024 0.000 0.207 368 L C 2.274 178.800 176.870 -0.573 0.000 1.086 368 L CA 1.079 55.542 54.840 -0.629 0.000 0.760 368 L CB -0.525 41.082 42.059 -0.754 0.000 0.910 368 L HN 0.135 nan 8.230 nan 0.000 0.437 369 Y N 1.813 121.636 120.300 -0.795 0.000 2.128 369 Y HA -0.183 4.352 4.550 -0.024 0.000 0.284 369 Y C -0.349 175.317 175.900 -0.390 0.000 1.154 369 Y CA 1.873 59.570 58.100 -0.673 0.000 1.149 369 Y CB -1.384 36.704 38.460 -0.620 0.000 0.976 369 Y HN 0.099 nan 8.280 nan 0.000 0.505 370 P HA -0.178 nan 4.420 nan 0.000 0.218 370 P C 1.267 178.420 177.300 -0.245 0.000 1.148 370 P CA 1.942 64.912 63.100 -0.216 0.000 0.822 370 P CB -0.012 31.617 31.700 -0.117 0.000 0.784 371 R N 0.109 120.469 120.500 -0.234 0.000 2.093 371 R HA 0.026 4.351 4.340 -0.024 0.000 0.224 371 R C 2.050 178.273 176.300 -0.129 0.000 1.101 371 R CA 1.323 57.346 56.100 -0.129 0.000 0.979 371 R CB -1.532 28.732 30.300 -0.060 0.000 0.877 371 R HN 0.123 nan 8.270 nan 0.000 0.441 372 I N 0.284 120.699 120.570 -0.258 0.000 2.226 372 I HA -0.243 3.912 4.170 -0.024 0.000 0.245 372 I C 2.625 178.546 176.117 -0.326 0.000 1.100 372 I CA 1.528 62.666 61.300 -0.270 0.000 1.374 372 I CB -0.336 37.381 38.000 -0.472 0.000 1.057 372 I HN 0.231 nan 8.210 nan 0.000 0.413 373 R N 1.229 121.405 120.500 -0.541 0.000 2.081 373 R HA -0.243 4.083 4.340 -0.024 0.000 0.235 373 R C 2.255 178.504 176.300 -0.084 0.000 1.131 373 R CA 1.970 57.886 56.100 -0.306 0.000 0.960 373 R CB -0.250 29.814 30.300 -0.394 0.000 0.856 373 R HN 0.378 nan 8.270 nan 0.000 0.436 374 E N 0.460 120.602 120.200 -0.097 0.000 2.085 374 E HA -0.213 4.123 4.350 -0.024 0.000 0.194 374 E C 1.987 178.597 176.600 0.016 0.000 0.994 374 E CA 1.602 57.987 56.400 -0.025 0.000 0.801 374 E CB -0.136 29.546 29.700 -0.031 0.000 0.743 374 E HN 0.470 nan 8.360 nan 0.000 0.453 375 I N 0.435 121.014 120.570 0.014 0.000 2.208 375 I HA -0.294 3.862 4.170 -0.024 0.000 0.245 375 I C 2.266 178.428 176.117 0.074 0.000 1.097 375 I CA 0.699 62.029 61.300 0.050 0.000 1.363 375 I CB -0.160 37.869 38.000 0.049 0.000 1.051 375 I HN 0.217 nan 8.210 nan 0.000 0.413 376 L N 0.422 121.701 121.223 0.093 0.000 2.083 376 L HA -0.214 4.111 4.340 -0.024 0.000 0.209 376 L C 2.420 179.353 176.870 0.104 0.000 1.083 376 L CA 1.787 56.691 54.840 0.107 0.000 0.752 376 L CB -0.664 41.488 42.059 0.155 0.000 0.899 376 L HN 0.213 nan 8.230 nan 0.000 0.433 377 E N -0.950 119.309 120.200 0.099 0.000 2.077 377 E HA -0.262 4.073 4.350 -0.024 0.000 0.193 377 E C 2.157 178.822 176.600 0.107 0.000 0.989 377 E CA 1.217 57.681 56.400 0.107 0.000 0.800 377 E CB -0.151 29.599 29.700 0.084 0.000 0.746 377 E HN 0.599 nan 8.360 nan 0.000 0.452 378 Q N 0.131 119.986 119.800 0.092 0.000 2.224 378 Q HA -0.104 4.221 4.340 -0.024 0.000 0.203 378 Q C 2.146 178.222 176.000 0.128 0.000 0.970 378 Q CA 0.862 56.724 55.803 0.098 0.000 0.865 378 Q CB 0.045 28.837 28.738 0.090 0.000 0.922 378 Q HN 0.360 nan 8.270 nan 0.000 0.445 379 I N -0.363 120.282 120.570 0.124 0.000 2.339 379 I HA -0.089 4.067 4.170 -0.024 0.000 0.245 379 I C 2.274 178.495 176.117 0.173 0.000 1.096 379 I CA 0.983 62.361 61.300 0.130 0.000 1.408 379 I CB -0.374 37.681 38.000 0.091 0.000 1.092 379 I HN 0.216 nan 8.210 nan 0.000 0.423 380 G N 0.304 109.225 108.800 0.202 0.000 2.403 380 G HA2 0.096 4.042 3.960 -0.024 0.000 0.216 380 G HA3 0.096 4.042 3.960 -0.024 0.000 0.216 380 G C 1.138 176.206 174.900 0.281 0.000 1.154 380 G CA 0.779 46.097 45.100 0.363 0.000 0.784 380 G HN 0.579 nan 8.290 nan 0.000 0.538 381 A N 0.016 122.945 122.820 0.181 0.000 5.481 381 A HA -0.304 4.002 4.320 -0.024 0.000 0.318 381 A C 2.327 179.970 177.584 0.098 0.000 1.837 381 A CA 3.299 55.406 52.037 0.117 0.000 0.717 381 A CB -1.823 17.229 19.000 0.086 0.000 1.349 381 A HN 1.608 nan 8.150 nan 0.000 0.388 382 S N -0.065 115.660 115.700 0.042 0.000 2.469 382 S HA 0.139 4.594 4.470 -0.024 0.000 0.238 382 S C 1.994 176.564 174.600 -0.050 0.000 0.998 382 S CA 1.823 60.024 58.200 0.002 0.000 0.957 382 S CB -1.143 62.042 63.200 -0.024 0.000 0.764 382 S HN 2.204 nan 8.310 nan 0.000 0.514 383 G N 1.683 110.422 108.800 -0.101 0.000 2.470 383 G HA2 -0.000 3.945 3.960 -0.024 0.000 0.220 383 G HA3 -0.000 3.945 3.960 -0.024 0.000 0.220 383 G C 1.276 176.104 174.900 -0.120 0.000 1.121 383 G CA 0.613 45.461 45.100 -0.420 0.000 0.766 383 G HN 0.562 nan 8.290 nan 0.000 0.553 384 L N 0.190 121.533 121.223 0.201 0.000 2.478 384 L HA 0.112 4.438 4.340 -0.024 0.000 0.223 384 L C 1.927 178.889 176.870 0.154 0.000 1.140 384 L CA 0.361 55.393 54.840 0.320 0.000 0.842 384 L CB 0.007 42.267 42.059 0.336 0.000 0.953 384 L HN 0.398 nan 8.230 nan 0.000 0.452 385 I N -6.203 114.387 120.570 0.034 0.000 4.240 385 I HA 0.150 4.305 4.170 -0.024 0.000 0.331 385 I C 0.486 176.532 176.117 -0.117 0.000 1.381 385 I CA 0.117 61.385 61.300 -0.054 0.000 1.136 385 I CB -0.021 37.985 38.000 0.010 0.000 1.137 385 I HN -0.241 nan 8.210 nan 0.000 0.411 386 T N 4.150 118.633 114.554 -0.118 0.000 3.579 386 T HA 0.504 4.840 4.350 -0.024 0.000 0.328 386 T C 0.109 174.730 174.700 -0.132 0.000 1.481 386 T CA 0.041 62.064 62.100 -0.128 0.000 1.144 386 T CB -0.374 68.409 68.868 -0.142 0.000 1.205 386 T HN 0.162 nan 8.240 nan 0.000 0.812 387 L N 4.860 125.982 121.223 -0.168 0.000 2.599 387 L HA 0.341 4.667 4.340 -0.024 0.000 0.241 387 L C -1.825 174.973 176.870 -0.120 0.000 1.207 387 L CA -1.861 52.872 54.840 -0.178 0.000 0.987 387 L CB 0.253 42.069 42.059 -0.405 0.000 1.318 387 L HN 0.256 nan 8.230 nan 0.000 0.458 388 P HA 0.080 nan 4.420 nan 0.000 0.272 388 P C -0.097 177.245 177.300 0.071 0.000 1.240 388 P CA -0.130 62.934 63.100 -0.061 0.000 0.791 388 P CB 1.473 33.062 31.700 -0.185 0.000 0.978 389 S N -0.724 115.006 115.700 0.050 0.000 2.693 389 S HA 0.097 4.552 4.470 -0.024 0.000 0.276 389 S C 1.418 176.116 174.600 0.163 0.000 1.192 389 S CA -0.295 57.992 58.200 0.146 0.000 0.994 389 S CB 0.417 63.655 63.200 0.064 0.000 1.012 389 S HN 0.507 nan 8.310 nan 0.000 0.550 390 E N 1.659 121.907 120.200 0.080 0.000 2.204 390 E HA -0.160 4.175 4.350 -0.024 0.000 0.195 390 E C 1.481 178.047 176.600 -0.056 0.000 0.990 390 E CA 1.121 57.365 56.400 -0.259 0.000 0.821 390 E CB -0.179 29.279 29.700 -0.402 0.000 0.750 390 E HN 0.599 nan 8.360 nan 0.000 0.477 391 K N 0.651 121.047 120.400 -0.006 0.000 2.148 391 K HA -0.108 4.198 4.320 -0.024 0.000 0.204 391 K C 1.576 178.167 176.600 -0.016 0.000 1.050 391 K CA 1.389 57.673 56.287 -0.004 0.000 0.942 391 K CB 0.009 32.514 32.500 0.008 0.000 0.724 391 K HN 0.237 nan 8.250 nan 0.000 0.446 392 D N 0.193 120.566 120.400 -0.044 0.000 2.149 392 D HA -0.090 4.536 4.640 -0.024 0.000 0.201 392 D C 1.712 177.925 176.300 -0.144 0.000 0.972 392 D CA 1.035 54.964 54.000 -0.118 0.000 0.835 392 D CB -0.044 40.633 40.800 -0.206 0.000 0.966 392 D HN 0.094 nan 8.370 nan 0.000 0.476 393 F N 1.523 121.432 119.950 -0.067 0.000 2.234 393 F HA -0.027 4.485 4.527 -0.025 0.000 0.299 393 F C 2.272 178.025 175.800 -0.079 0.000 1.087 393 F CA 0.923 58.875 58.000 -0.080 0.000 1.340 393 F CB -0.008 38.897 39.000 -0.158 0.000 1.031 393 F HN -0.181 nan 8.300 nan 0.000 0.500 394 K N -0.365 120.083 120.400 0.080 0.000 2.418 394 K HA 0.132 4.437 4.320 -0.024 0.000 0.195 394 K C 1.374 177.983 176.600 0.015 0.000 1.035 394 K CA 0.339 56.642 56.287 0.027 0.000 1.003 394 K CB -0.162 32.335 32.500 -0.004 0.000 0.793 394 K HN 0.232 nan 8.250 nan 0.000 0.494 395 G N 1.274 110.080 108.800 0.010 0.000 2.525 395 G HA2 0.121 4.067 3.960 -0.024 0.000 0.287 395 G HA3 0.121 4.067 3.960 -0.024 0.000 0.287 395 G C -1.919 172.991 174.900 0.018 0.000 1.350 395 G CA -1.053 44.050 45.100 0.006 0.000 1.039 395 G HN -0.177 nan 8.290 nan 0.000 0.513 396 P HA -0.053 nan 4.420 nan 0.000 0.217 396 P C 1.577 178.936 177.300 0.097 0.000 1.148 396 P CA 0.909 64.039 63.100 0.049 0.000 0.828 396 P CB 0.112 31.842 31.700 0.051 0.000 0.783 397 L N -2.091 119.196 121.223 0.107 0.000 2.591 397 L HA 0.168 4.494 4.340 -0.024 0.000 0.228 397 L C 2.356 179.307 176.870 0.136 0.000 1.133 397 L CA 0.314 55.285 54.840 0.219 0.000 0.880 397 L CB -1.042 41.102 42.059 0.141 0.000 1.033 397 L HN 0.046 nan 8.230 nan 0.000 0.450 398 G N 1.982 110.810 108.800 0.047 0.000 2.529 398 G HA2 -0.242 3.704 3.960 -0.024 0.000 0.219 398 G HA3 -0.242 3.704 3.960 -0.024 0.000 0.219 398 G C -0.649 174.284 174.900 0.054 0.000 1.177 398 G CA 0.868 45.998 45.100 0.050 0.000 0.773 398 G HN 0.313 nan 8.290 nan 0.000 0.573 399 P HA -0.083 nan 4.420 nan 0.000 0.216 399 P C 1.414 178.583 177.300 -0.218 0.000 1.150 399 P CA 0.883 63.880 63.100 -0.172 0.000 0.843 399 P CB -0.142 31.365 31.700 -0.321 0.000 0.787 400 F N -1.168 118.756 119.950 -0.043 0.000 2.146 400 F HA -0.090 4.423 4.527 -0.024 0.000 0.298 400 F C 2.254 178.021 175.800 -0.055 0.000 1.096 400 F CA 1.143 59.103 58.000 -0.067 0.000 1.275 400 F CB -1.379 37.700 39.000 0.131 0.000 1.008 400 F HN -0.198 nan 8.300 nan 0.000 0.480 401 L N -0.323 121.010 121.223 0.183 0.000 2.131 401 L HA -0.196 4.130 4.340 -0.024 0.000 0.210 401 L C 2.175 179.160 176.870 0.191 0.000 1.092 401 L CA 1.368 56.267 54.840 0.099 0.000 0.759 401 L CB -0.717 41.164 42.059 -0.297 0.000 0.903 401 L HN 0.200 nan 8.230 nan 0.000 0.435 402 E N 0.038 120.348 120.200 0.183 0.000 2.268 402 E HA -0.238 4.098 4.350 -0.024 0.000 0.195 402 E C 2.043 178.652 176.600 0.016 0.000 0.995 402 E CA 0.874 57.370 56.400 0.159 0.000 0.836 402 E CB 0.097 29.848 29.700 0.085 0.000 0.763 402 E HN 0.397 nan 8.360 nan 0.000 0.491 403 K N 0.223 120.544 120.400 -0.131 0.000 2.099 403 K HA -0.036 4.270 4.320 -0.024 0.000 0.203 403 K C 1.551 178.017 176.600 -0.223 0.000 1.047 403 K CA 0.625 56.739 56.287 -0.288 0.000 0.963 403 K CB 0.084 32.222 32.500 -0.604 0.000 0.759 403 K HN -0.032 nan 8.250 nan 0.000 0.451 404 F N 1.020 121.023 119.950 0.089 0.000 2.456 404 F HA 0.106 4.618 4.527 -0.024 0.000 0.298 404 F C 1.452 177.278 175.800 0.044 0.000 1.104 404 F CA 0.565 58.600 58.000 0.058 0.000 1.435 404 F CB 0.109 39.136 39.000 0.044 0.000 1.078 404 F HN -0.036 nan 8.300 nan 0.000 0.546 405 L N 0.352 121.704 121.223 0.215 0.000 2.910 405 L HA 0.176 4.502 4.340 -0.024 0.000 0.252 405 L C 0.720 177.678 176.870 0.147 0.000 1.195 405 L CA -0.288 54.651 54.840 0.165 0.000 1.003 405 L CB -0.454 41.722 42.059 0.194 0.000 1.328 405 L HN 0.134 nan 8.230 nan 0.000 0.540 406 Q N -0.114 119.757 119.800 0.119 0.000 2.471 406 Q HA 0.456 4.782 4.340 -0.024 0.000 0.223 406 Q C 0.249 176.300 176.000 0.085 0.000 1.045 406 Q CA -0.171 55.687 55.803 0.091 0.000 0.956 406 Q CB 1.082 29.854 28.738 0.055 0.000 1.249 406 Q HN 0.073 nan 8.270 nan 0.000 0.549 407 G N -0.738 108.112 108.800 0.083 0.000 2.753 407 G HA2 0.449 4.394 3.960 -0.024 0.000 0.285 407 G HA3 0.449 4.394 3.960 -0.024 0.000 0.285 407 G C 0.482 175.423 174.900 0.068 0.000 1.344 407 G CA -0.518 44.636 45.100 0.089 0.000 1.050 407 G HN 0.791 nan 8.290 nan 0.000 0.532 408 A N -0.754 122.107 122.820 0.068 0.000 1.873 408 A HA 0.263 4.568 4.320 -0.024 0.000 0.218 408 A C 1.838 179.444 177.584 0.037 0.000 1.193 408 A CA 2.859 54.926 52.037 0.050 0.000 0.629 408 A CB -0.481 18.546 19.000 0.046 0.000 0.826 408 A HN 1.801 nan 8.150 nan 0.000 0.447 409 A N -2.146 120.697 122.820 0.037 0.000 2.843 409 A HA 0.579 4.885 4.320 -0.024 0.000 0.248 409 A C -0.552 177.050 177.584 0.029 0.000 0.904 409 A CA -0.221 51.831 52.037 0.026 0.000 1.091 409 A CB 0.061 19.072 19.000 0.018 0.000 1.208 409 A HN 0.676 nan 8.150 nan 0.000 0.476 410 L N -0.175 121.072 121.223 0.040 0.000 2.431 410 L HA 0.549 4.875 4.340 -0.024 0.000 0.266 410 L C -0.365 176.530 176.870 0.043 0.000 0.978 410 L CA -0.148 54.718 54.840 0.043 0.000 0.822 410 L CB 1.792 43.890 42.059 0.065 0.000 1.310 410 L HN 0.374 nan 8.230 nan 0.000 0.409 411 E N 2.467 122.683 120.200 0.026 0.000 2.404 411 E HA 0.240 4.576 4.350 -0.024 0.000 0.261 411 E C 0.732 177.351 176.600 0.031 0.000 1.074 411 E CA 0.412 56.821 56.400 0.015 0.000 0.917 411 E CB 1.146 30.838 29.700 -0.014 0.000 0.965 411 E HN 0.811 nan 8.360 nan 0.000 0.433 412 A N 3.697 126.544 122.820 0.046 0.000 1.883 412 A HA -0.264 4.042 4.320 -0.024 0.000 0.217 412 A C 1.811 179.396 177.584 0.002 0.000 1.186 412 A CA 1.742 53.849 52.037 0.117 0.000 0.624 412 A CB -0.277 18.880 19.000 0.262 0.000 0.822 412 A HN 0.584 nan 8.150 nan 0.000 0.444 413 K N -0.466 119.761 120.400 -0.289 0.000 2.057 413 K HA -0.161 4.144 4.320 -0.024 0.000 0.207 413 K C 1.997 178.585 176.600 -0.020 0.000 1.049 413 K CA 1.635 57.644 56.287 -0.463 0.000 0.931 413 K CB -0.192 31.999 32.500 -0.515 0.000 0.714 413 K HN 0.640 nan 8.250 nan 0.000 0.440 414 E N 0.301 120.498 120.200 -0.006 0.000 2.106 414 E HA -0.161 4.175 4.350 -0.024 0.000 0.192 414 E C 2.175 178.819 176.600 0.072 0.000 0.984 414 E CA 0.499 56.922 56.400 0.037 0.000 0.806 414 E CB 0.040 29.752 29.700 0.021 0.000 0.750 414 E HN 0.149 nan 8.360 nan 0.000 0.458 415 R N 1.329 121.897 120.500 0.115 0.000 2.073 415 R HA -0.119 4.206 4.340 -0.024 0.000 0.234 415 R C 2.117 178.587 176.300 0.283 0.000 1.134 415 R CA 1.244 57.472 56.100 0.214 0.000 0.952 415 R CB -0.565 29.857 30.300 0.204 0.000 0.850 415 R HN 0.093 nan 8.270 nan 0.000 0.433 416 V N 1.538 121.596 119.914 0.241 0.000 2.515 416 V HA -0.159 3.946 4.120 -0.024 0.000 0.250 416 V C 2.655 178.716 176.094 -0.055 0.000 1.058 416 V CA 1.597 64.037 62.300 0.234 0.000 1.064 416 V CB -0.835 31.294 31.823 0.511 0.000 0.675 416 V HN 0.467 nan 8.190 nan 0.000 0.461 417 A N 0.083 122.785 122.820 -0.196 0.000 1.902 417 A HA -0.208 4.098 4.320 -0.024 0.000 0.217 417 A C 2.165 179.606 177.584 -0.239 0.000 1.181 417 A CA 2.150 53.879 52.037 -0.513 0.000 0.623 417 A CB -0.534 18.329 19.000 -0.229 0.000 0.818 417 A HN 0.464 nan 8.150 nan 0.000 0.443 418 L N -1.667 119.506 121.223 -0.083 0.000 2.027 418 L HA -0.011 4.315 4.340 -0.024 0.000 0.206 418 L C 2.150 178.937 176.870 -0.138 0.000 1.074 418 L CA 1.929 56.705 54.840 -0.107 0.000 0.745 418 L CB -0.735 41.265 42.059 -0.099 0.000 0.898 418 L HN 0.333 nan 8.230 nan 0.000 0.433 419 F N -0.439 119.487 119.950 -0.040 0.000 2.293 419 F HA -0.078 4.434 4.527 -0.025 0.000 0.300 419 F C 2.526 178.342 175.800 0.028 0.000 1.086 419 F CA 0.821 58.825 58.000 0.006 0.000 1.375 419 F CB -0.283 38.727 39.000 0.015 0.000 1.045 419 F HN 0.003 nan 8.300 nan 0.000 0.516 420 R N -0.141 120.408 120.500 0.082 0.000 2.092 420 R HA -0.134 4.192 4.340 -0.024 0.000 0.231 420 R C 2.187 178.577 176.300 0.151 0.000 1.119 420 R CA 0.965 57.097 56.100 0.053 0.000 0.970 420 R CB -1.052 29.111 30.300 -0.228 0.000 0.864 420 R HN 0.303 nan 8.270 nan 0.000 0.440 421 L N 0.693 121.916 121.223 -0.000 0.000 2.027 421 L HA -0.015 4.311 4.340 -0.024 0.000 0.206 421 L C 2.223 179.083 176.870 -0.018 0.000 1.074 421 L CA 2.000 56.823 54.840 -0.028 0.000 0.745 421 L CB -0.779 41.219 42.059 -0.102 0.000 0.898 421 L HN 0.097 nan 8.230 nan 0.000 0.433 422 A N -0.975 121.818 122.820 -0.044 0.000 1.908 422 A HA -0.292 4.013 4.320 -0.024 0.000 0.218 422 A C 2.162 179.801 177.584 0.092 0.000 1.181 422 A CA 1.843 53.844 52.037 -0.059 0.000 0.627 422 A CB -1.560 17.351 19.000 -0.149 0.000 0.818 422 A HN 0.778 nan 8.150 nan 0.000 0.445 423 W N 0.939 122.246 121.300 0.012 0.000 2.358 423 W HA -0.161 4.485 4.660 -0.024 0.000 0.303 423 W C 1.369 177.940 176.519 0.088 0.000 1.208 423 W CA 1.750 59.135 57.345 0.067 0.000 1.274 423 W CB -0.199 29.308 29.460 0.077 0.000 1.138 423 W HN 0.365 nan 8.180 nan 0.000 0.515 424 D N -0.156 120.246 120.400 0.002 0.000 2.264 424 D HA -0.152 4.474 4.640 -0.024 0.000 0.208 424 D C 1.990 178.286 176.300 -0.006 0.000 0.966 424 D CA 1.318 55.200 54.000 -0.198 0.000 0.864 424 D CB -0.312 40.487 40.800 -0.001 0.000 0.933 424 D HN 0.244 nan 8.370 nan 0.000 0.499 425 M N -1.220 118.377 119.600 -0.004 0.000 2.541 425 M HA 0.031 4.497 4.480 -0.024 0.000 0.252 425 M C 1.384 177.756 176.300 0.120 0.000 1.125 425 M CA 0.907 56.230 55.300 0.039 0.000 1.091 425 M CB 0.553 33.020 32.600 -0.222 0.000 1.420 425 M HN 0.062 nan 8.290 nan 0.000 0.486 426 T N -4.068 110.503 114.554 0.029 0.000 3.254 426 T HA 0.253 4.589 4.350 -0.024 0.000 0.267 426 T C 1.244 175.927 174.700 -0.030 0.000 0.946 426 T CA -0.218 61.920 62.100 0.063 0.000 0.991 426 T CB -0.015 68.921 68.868 0.114 0.000 1.205 426 T HN 0.251 nan 8.240 nan 0.000 0.494 427 L N 2.526 123.652 121.223 -0.161 0.000 2.638 427 L HA 0.425 4.751 4.340 -0.024 0.000 0.232 427 L C 1.228 177.870 176.870 -0.380 0.000 1.099 427 L CA -0.165 54.577 54.840 -0.163 0.000 0.883 427 L CB 0.308 42.425 42.059 0.097 0.000 1.136 427 L HN 0.347 nan 8.230 nan 0.000 0.492 428 S N -0.262 114.908 115.700 -0.882 0.000 2.608 428 S HA 0.222 4.678 4.470 -0.024 0.000 0.261 428 S C 1.480 175.934 174.600 -0.242 0.000 1.314 428 S CA -0.018 57.700 58.200 -0.804 0.000 0.992 428 S CB 1.191 63.641 63.200 -1.249 0.000 0.935 428 S HN 0.179 nan 8.310 nan 0.000 0.564 429 G N 0.115 108.870 108.800 -0.074 0.000 2.442 429 G HA2 -0.186 3.760 3.960 -0.024 0.000 0.219 429 G HA3 -0.186 3.760 3.960 -0.024 0.000 0.219 429 G C 1.025 175.922 174.900 -0.005 0.000 1.141 429 G CA 0.860 45.960 45.100 0.000 0.000 0.763 429 G HN 0.725 nan 8.290 nan 0.000 0.554 430 F N 2.236 122.107 119.950 -0.132 0.000 2.102 430 F HA 0.055 4.569 4.527 -0.022 0.000 0.298 430 F C 2.561 178.301 175.800 -0.100 0.000 1.105 430 F CA 1.817 59.751 58.000 -0.111 0.000 1.239 430 F CB -0.494 38.430 39.000 -0.127 0.000 0.991 430 F HN 0.100 nan 8.300 nan 0.000 0.474 431 G N -0.224 108.516 108.800 -0.100 0.000 2.418 431 G HA2 -0.223 3.722 3.960 -0.024 0.000 0.217 431 G HA3 -0.223 3.722 3.960 -0.024 0.000 0.217 431 G C 1.805 176.642 174.900 -0.104 0.000 1.158 431 G CA 0.828 45.852 45.100 -0.128 0.000 0.771 431 G HN 0.632 nan 8.290 nan 0.000 0.545 432 A N 0.745 123.513 122.820 -0.086 0.000 1.933 432 A HA -0.031 4.275 4.320 -0.024 0.000 0.218 432 A C 2.313 179.884 177.584 -0.021 0.000 1.175 432 A CA 1.863 53.887 52.037 -0.022 0.000 0.628 432 A CB -0.479 18.516 19.000 -0.008 0.000 0.814 432 A HN 0.384 nan 8.150 nan 0.000 0.444 433 R N -0.698 119.750 120.500 -0.087 0.000 2.105 433 R HA -0.185 4.141 4.340 -0.024 0.000 0.239 433 R C 2.059 178.317 176.300 -0.069 0.000 1.135 433 R CA 1.643 57.699 56.100 -0.075 0.000 0.967 433 R CB -0.294 29.927 30.300 -0.131 0.000 0.861 433 R HN 0.509 nan 8.270 nan 0.000 0.442 434 Q N 0.532 120.223 119.800 -0.182 0.000 2.181 434 Q HA -0.231 4.095 4.340 -0.024 0.000 0.205 434 Q C 1.819 177.835 176.000 0.026 0.000 0.980 434 Q CA 1.749 57.471 55.803 -0.135 0.000 0.862 434 Q CB -0.149 28.495 28.738 -0.156 0.000 0.905 434 Q HN 0.601 nan 8.270 nan 0.000 0.429 435 E N 0.357 120.649 120.200 0.152 0.000 2.047 435 E HA -0.179 4.156 4.350 -0.024 0.000 0.191 435 E C 2.053 178.734 176.600 0.134 0.000 0.987 435 E CA 0.628 57.175 56.400 0.245 0.000 0.799 435 E CB -0.026 29.795 29.700 0.202 0.000 0.752 435 E HN 0.197 nan 8.360 nan 0.000 0.449 436 L N 0.565 121.867 121.223 0.132 0.000 2.083 436 L HA -0.181 4.145 4.340 -0.024 0.000 0.209 436 L C 2.307 179.306 176.870 0.215 0.000 1.083 436 L CA 1.770 56.719 54.840 0.182 0.000 0.752 436 L CB -0.773 41.390 42.059 0.173 0.000 0.899 436 L HN 0.281 nan 8.230 nan 0.000 0.433 437 Y N 0.421 120.751 120.300 0.051 0.000 2.097 437 Y HA -0.260 4.275 4.550 -0.024 0.000 0.282 437 Y C 2.443 178.425 175.900 0.138 0.000 1.152 437 Y CA 2.145 60.282 58.100 0.063 0.000 1.136 437 Y CB -0.132 38.282 38.460 -0.077 0.000 0.975 437 Y HN 0.255 nan 8.280 nan 0.000 0.498 438 E N 0.411 120.622 120.200 0.018 0.000 2.110 438 E HA -0.196 4.139 4.350 -0.024 0.000 0.193 438 E C 2.259 178.814 176.600 -0.075 0.000 0.988 438 E CA 1.324 57.701 56.400 -0.038 0.000 0.804 438 E CB -0.325 29.171 29.700 -0.341 0.000 0.745 438 E HN 0.576 nan 8.360 nan 0.000 0.458 439 R N -0.991 119.434 120.500 -0.125 0.000 2.115 439 R HA -0.043 4.283 4.340 -0.024 0.000 0.230 439 R C 1.385 177.338 176.300 -0.578 0.000 1.111 439 R CA 1.016 56.900 56.100 -0.359 0.000 0.976 439 R CB -0.006 30.034 30.300 -0.433 0.000 0.870 439 R HN 0.141 nan 8.270 nan 0.000 0.445 440 F N -1.941 117.930 119.950 -0.132 0.000 2.834 440 F HA 0.102 4.619 4.527 -0.016 0.000 0.332 440 F C 1.387 177.049 175.800 -0.230 0.000 1.056 440 F CA -1.014 56.893 58.000 -0.156 0.000 1.178 440 F CB -0.119 38.834 39.000 -0.079 0.000 1.037 440 F HN -0.111 nan 8.300 nan 0.000 0.580 441 F N -0.193 119.622 119.950 -0.225 0.000 2.115 441 F HA -0.265 4.247 4.527 -0.025 0.000 0.300 441 F C 1.736 177.461 175.800 -0.124 0.000 1.092 441 F CA 1.638 59.419 58.000 -0.366 0.000 1.245 441 F CB -1.484 36.875 39.000 -1.069 0.000 0.995 441 F HN 0.025 nan 8.300 nan 0.000 0.481 442 F N 1.059 120.300 119.950 -1.181 0.000 2.797 442 F HA 0.411 4.922 4.527 -0.026 0.000 0.302 442 F C 1.093 176.712 175.800 -0.301 0.000 1.130 442 F CA 0.331 57.917 58.000 -0.691 0.000 1.387 442 F CB -0.009 38.452 39.000 -0.899 0.000 1.107 442 F HN 0.387 nan 8.300 nan 0.000 0.577 443 G N 0.494 109.295 108.800 0.001 0.000 2.340 443 G HA2 -0.102 3.843 3.960 -0.024 0.000 0.527 443 G HA3 -0.102 3.843 3.960 -0.024 0.000 0.527 443 G C -1.931 173.040 174.900 0.119 0.000 1.381 443 G CA -0.996 44.145 45.100 0.067 0.000 1.001 443 G HN -0.039 nan 8.290 nan 0.000 0.626 444 D N 0.826 121.330 120.400 0.173 0.000 2.358 444 D HA 0.441 5.066 4.640 -0.024 0.000 0.258 444 D C -0.654 175.686 176.300 0.066 0.000 1.223 444 D CA -1.733 52.412 54.000 0.242 0.000 0.886 444 D CB 1.405 42.328 40.800 0.204 0.000 1.120 444 D HN 0.019 nan 8.370 nan 0.000 0.482 445 P HA -0.207 nan 4.420 nan 0.000 0.217 445 P C 1.525 178.803 177.300 -0.037 0.000 1.151 445 P CA 0.698 63.747 63.100 -0.085 0.000 0.849 445 P CB 0.256 31.797 31.700 -0.266 0.000 0.787 446 V N -0.325 119.559 119.914 -0.050 0.000 2.287 446 V HA -0.271 3.834 4.120 -0.024 0.000 0.248 446 V C 2.376 178.494 176.094 0.040 0.000 1.053 446 V CA 2.005 64.287 62.300 -0.030 0.000 1.027 446 V CB -0.912 30.903 31.823 -0.014 0.000 0.646 446 V HN 0.095 nan 8.190 nan 0.000 0.447 447 R N -1.300 119.230 120.500 0.051 0.000 2.200 447 R HA 0.115 4.440 4.340 -0.024 0.000 0.208 447 R C 2.267 178.604 176.300 0.062 0.000 1.033 447 R CA 0.788 56.922 56.100 0.057 0.000 1.000 447 R CB -0.191 30.137 30.300 0.047 0.000 0.906 447 R HN 0.461 nan 8.270 nan 0.000 0.462 448 M N -0.911 118.731 119.600 0.069 0.000 2.175 448 M HA -0.150 4.315 4.480 -0.024 0.000 0.264 448 M C 1.339 177.669 176.300 0.050 0.000 1.063 448 M CA 1.619 56.935 55.300 0.026 0.000 1.119 448 M CB -0.113 32.487 32.600 0.001 0.000 1.377 448 M HN 0.105 nan 8.290 nan 0.000 0.415 449 Y N 0.672 120.929 120.300 -0.071 0.000 2.263 449 Y HA -0.180 4.360 4.550 -0.017 0.000 0.292 449 Y C 2.489 178.389 175.900 0.001 0.000 1.130 449 Y CA 1.330 59.398 58.100 -0.054 0.000 1.179 449 Y CB -0.565 37.855 38.460 -0.067 0.000 0.998 449 Y HN 0.277 nan 8.280 nan 0.000 0.532 450 Q N -1.098 118.794 119.800 0.153 0.000 2.124 450 Q HA -0.158 4.168 4.340 -0.024 0.000 0.202 450 Q C 2.120 178.202 176.000 0.137 0.000 0.977 450 Q CA 1.960 57.839 55.803 0.127 0.000 0.850 450 Q CB -0.272 28.514 28.738 0.080 0.000 0.901 450 Q HN 0.380 nan 8.270 nan 0.000 0.429 451 T N 1.292 115.891 114.554 0.075 0.000 2.708 451 T HA -0.141 4.195 4.350 -0.024 0.000 0.266 451 T C 1.700 176.415 174.700 0.024 0.000 1.037 451 T CA 1.012 63.138 62.100 0.043 0.000 1.146 451 T CB -0.252 68.616 68.868 0.001 0.000 0.865 451 T HN 0.140 nan 8.240 nan 0.000 0.435 452 L N 0.548 121.754 121.223 -0.028 0.000 2.046 452 L HA -0.060 4.266 4.340 -0.024 0.000 0.208 452 L C 2.124 178.995 176.870 0.002 0.000 1.077 452 L CA 1.740 56.537 54.840 -0.072 0.000 0.747 452 L CB -1.007 40.908 42.059 -0.241 0.000 0.896 452 L HN 0.344 nan 8.230 nan 0.000 0.432 453 Y N 0.636 120.903 120.300 -0.056 0.000 2.128 453 Y HA -0.317 4.218 4.550 -0.024 0.000 0.284 453 Y C 2.267 178.195 175.900 0.046 0.000 1.154 453 Y CA 2.447 60.542 58.100 -0.007 0.000 1.149 453 Y CB -0.577 37.884 38.460 0.002 0.000 0.976 453 Y HN 0.418 nan 8.280 nan 0.000 0.505 454 N N -0.816 117.887 118.700 0.006 0.000 2.244 454 N HA -0.152 4.574 4.740 -0.024 0.000 0.183 454 N C 1.742 177.208 175.510 -0.074 0.000 1.016 454 N CA 1.195 54.206 53.050 -0.064 0.000 0.866 454 N CB -0.160 38.379 38.487 0.087 0.000 0.980 454 N HN 0.319 nan 8.380 nan 0.000 0.430 455 V N -0.445 119.458 119.914 -0.019 0.000 2.878 455 V HA 0.005 4.111 4.120 -0.024 0.000 0.250 455 V C -0.060 176.041 176.094 0.011 0.000 1.075 455 V CA 0.320 62.617 62.300 -0.004 0.000 1.096 455 V CB -0.357 31.473 31.823 0.011 0.000 0.724 455 V HN 0.240 nan 8.190 nan 0.000 0.467 456 Y N 2.187 122.418 120.300 -0.116 0.000 2.497 456 Y HA 0.184 4.722 4.550 -0.019 0.000 0.334 456 Y C 0.649 176.503 175.900 -0.075 0.000 1.199 456 Y CA 0.024 58.072 58.100 -0.086 0.000 1.425 456 Y CB 0.292 38.699 38.460 -0.088 0.000 1.291 456 Y HN 0.334 nan 8.280 nan 0.000 0.562 457 N N 4.628 123.105 118.700 -0.371 0.000 2.439 457 N HA 0.081 4.806 4.740 -0.024 0.000 0.243 457 N C -0.271 175.202 175.510 -0.061 0.000 1.088 457 N CA 0.093 53.011 53.050 -0.221 0.000 0.940 457 N CB 0.406 38.735 38.487 -0.264 0.000 1.180 457 N HN 0.635 nan 8.380 nan 0.000 0.505 458 K N 1.742 122.192 120.400 0.084 0.000 2.393 458 K HA -0.002 4.304 4.320 -0.024 0.000 0.193 458 K C 0.953 177.622 176.600 0.114 0.000 1.026 458 K CA 0.020 56.477 56.287 0.283 0.000 1.064 458 K CB 0.461 33.083 32.500 0.204 0.000 0.833 458 K HN 0.401 nan 8.250 nan 0.000 0.521 459 E N 2.103 122.275 120.200 -0.046 0.000 2.097 459 E HA -0.147 4.189 4.350 -0.024 0.000 0.196 459 E C -1.067 175.416 176.600 -0.194 0.000 1.000 459 E CA 1.566 57.910 56.400 -0.093 0.000 0.804 459 E CB -0.884 28.758 29.700 -0.097 0.000 0.740 459 E HN 0.100 nan 8.360 nan 0.000 0.454 460 P HA -0.148 nan 4.420 nan 0.000 0.216 460 P C 0.743 177.755 177.300 -0.481 0.000 1.150 460 P CA 1.471 64.256 63.100 -0.525 0.000 0.837 460 P CB -0.168 31.063 31.700 -0.781 0.000 0.786 461 Y N -0.153 120.161 120.300 0.024 0.000 2.263 461 Y HA -0.029 4.509 4.550 -0.020 0.000 0.292 461 Y C 2.184 178.103 175.900 0.032 0.000 1.130 461 Y CA 0.859 58.979 58.100 0.033 0.000 1.179 461 Y CB -1.207 37.283 38.460 0.051 0.000 0.998 461 Y HN -0.109 nan 8.280 nan 0.000 0.532 462 K N 0.053 120.524 120.400 0.118 0.000 2.097 462 K HA -0.202 4.104 4.320 -0.024 0.000 0.205 462 K C 1.992 178.623 176.600 0.051 0.000 1.050 462 K CA 1.553 57.892 56.287 0.088 0.000 0.938 462 K CB -0.099 32.444 32.500 0.071 0.000 0.718 462 K HN 0.138 nan 8.250 nan 0.000 0.442 463 E N 1.541 121.745 120.200 0.007 0.000 2.110 463 E HA -0.175 4.161 4.350 -0.024 0.000 0.193 463 E C 1.917 178.536 176.600 0.032 0.000 0.988 463 E CA 1.282 57.685 56.400 0.005 0.000 0.804 463 E CB -0.016 29.663 29.700 -0.034 0.000 0.745 463 E HN 0.130 nan 8.360 nan 0.000 0.458 464 R N -0.137 120.384 120.500 0.035 0.000 2.096 464 R HA -0.093 4.232 4.340 -0.024 0.000 0.235 464 R C 1.910 178.280 176.300 0.117 0.000 1.127 464 R CA 1.413 57.556 56.100 0.071 0.000 0.968 464 R CB -0.170 30.172 30.300 0.070 0.000 0.861 464 R HN 0.224 nan 8.270 nan 0.000 0.440 465 I N 0.867 121.499 120.570 0.103 0.000 2.286 465 I HA -0.184 3.971 4.170 -0.024 0.000 0.245 465 I C 2.268 178.476 176.117 0.152 0.000 1.104 465 I CA 1.301 62.675 61.300 0.122 0.000 1.397 465 I CB -1.054 36.997 38.000 0.085 0.000 1.072 465 I HN 0.220 nan 8.210 nan 0.000 0.417 466 R N 0.828 121.392 120.500 0.106 0.000 2.091 466 R HA -0.133 4.193 4.340 -0.024 0.000 0.238 466 R C 2.352 178.710 176.300 0.096 0.000 1.136 466 R CA 1.584 57.738 56.100 0.090 0.000 0.959 466 R CB -0.411 29.925 30.300 0.059 0.000 0.856 466 R HN 0.355 nan 8.270 nan 0.000 0.437 467 A N 0.617 123.497 122.820 0.099 0.000 1.902 467 A HA -0.177 4.129 4.320 -0.024 0.000 0.217 467 A C 1.950 179.596 177.584 0.103 0.000 1.181 467 A CA 1.016 53.103 52.037 0.083 0.000 0.623 467 A CB -0.595 18.452 19.000 0.077 0.000 0.818 467 A HN 0.332 nan 8.150 nan 0.000 0.443 468 F N 0.344 120.307 119.950 0.022 0.000 2.216 468 F HA -0.046 4.468 4.527 -0.022 0.000 0.300 468 F C 1.711 177.524 175.800 0.023 0.000 1.085 468 F CA 1.322 59.336 58.000 0.022 0.000 1.326 468 F CB -0.048 38.968 39.000 0.027 0.000 1.027 468 F HN 0.111 nan 8.300 nan 0.000 0.497 469 L N -0.269 121.061 121.223 0.178 0.000 2.552 469 L HA -0.096 4.230 4.340 -0.024 0.000 0.227 469 L C 2.053 178.942 176.870 0.032 0.000 1.146 469 L CA 0.474 55.380 54.840 0.109 0.000 0.858 469 L CB -0.522 41.617 42.059 0.133 0.000 0.969 469 L HN 0.055 nan 8.230 nan 0.000 0.451 470 K N 0.042 120.442 120.400 0.000 0.000 2.063 470 K HA -0.172 4.134 4.320 -0.024 0.000 0.208 470 K C 1.888 178.464 176.600 -0.039 0.000 1.048 470 K CA 1.049 57.330 56.287 -0.009 0.000 0.928 470 K CB 0.014 32.503 32.500 -0.018 0.000 0.713 470 K HN 0.206 nan 8.250 nan 0.000 0.442 471 E N 0.584 120.721 120.200 -0.105 0.000 2.153 471 E HA -0.103 4.232 4.350 -0.024 0.000 0.194 471 E C 2.055 178.599 176.600 -0.094 0.000 0.988 471 E CA 0.875 57.201 56.400 -0.124 0.000 0.811 471 E CB -0.015 29.559 29.700 -0.211 0.000 0.746 471 E HN 0.162 nan 8.360 nan 0.000 0.466 472 S N 0.789 116.453 115.700 -0.060 0.000 2.355 472 S HA -0.067 4.388 4.470 -0.024 0.000 0.222 472 S C 1.814 176.410 174.600 -0.007 0.000 1.031 472 S CA 0.578 58.763 58.200 -0.025 0.000 0.993 472 S CB -0.011 63.215 63.200 0.043 0.000 0.859 472 S HN 0.172 nan 8.310 nan 0.000 0.453 473 L N 1.635 122.901 121.223 0.072 0.000 2.376 473 L HA 0.087 4.413 4.340 -0.024 0.000 0.219 473 L C 1.900 178.847 176.870 0.127 0.000 1.133 473 L CA 1.340 56.297 54.840 0.195 0.000 0.816 473 L CB -1.087 41.077 42.059 0.176 0.000 0.933 473 L HN 0.322 nan 8.230 nan 0.000 0.449 474 K N 0.017 120.422 120.400 0.007 0.000 2.362 474 K HA -0.092 4.214 4.320 -0.024 0.000 0.200 474 K C 1.923 178.470 176.600 -0.087 0.000 1.046 474 K CA 1.067 57.342 56.287 -0.019 0.000 0.952 474 K CB -0.049 32.426 32.500 -0.042 0.000 0.753 474 K HN 0.354 nan 8.250 nan 0.000 0.466 475 V N -1.772 118.001 119.914 -0.236 0.000 2.913 475 V HA -0.144 3.962 4.120 -0.024 0.000 0.260 475 V C 1.405 177.247 176.094 -0.420 0.000 1.098 475 V CA 1.343 63.417 62.300 -0.376 0.000 1.121 475 V CB -0.819 30.677 31.823 -0.545 0.000 0.714 475 V HN 0.118 nan 8.190 nan 0.000 0.487 476 F N 0.556 120.503 119.950 -0.005 0.000 2.776 476 F HA 0.357 4.869 4.527 -0.025 0.000 0.300 476 F C 1.582 177.380 175.800 -0.004 0.000 1.116 476 F CA -0.320 57.679 58.000 -0.003 0.000 1.375 476 F CB 0.016 39.016 39.000 -0.001 0.000 1.109 476 F HN 0.215 nan 8.300 nan 0.000 0.585 477 E N 0.000 120.267 120.200 0.111 0.000 2.725 477 E HA 0.000 4.336 4.350 -0.024 0.000 0.291 477 E CA 0.000 56.442 56.400 0.070 0.000 0.976 477 E CB 0.000 29.722 29.700 0.037 0.000 0.812 477 E HN 0.000 nan 8.360 nan 0.000 0.440