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 1t0l_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSKKISGGSV VEMQGDEMTR IIWELIKEKL IFPYVELDLH SYDLGIENRD DATA SEQUENCE ATNDQVTKDA AEAIKKHNVG VKCATITPDE KRVEEFKLKQ MWKSPNGTIR DATA SEQUENCE NILGGTVFRE AIICKNIPRL VSGWVKPIII GRHAYGDQYR ATDFVVPGPG DATA SEQUENCE KVEITYTPSD GTQKVTYLVH NFEEGGGVAM GMYNQDKSIE DFAHSSFQMA DATA SEQUENCE LSKGWPLYLS TKNTILKKYD GRFKDIFQEI YDKQYKSQFE AQKIWYEHRL DATA SEQUENCE IDDMVAQAMK SEGGFIWACK NYDGDVQSDS VAQGYGSLGM MTSVLVCPDG DATA SEQUENCE KTVEAEAAHG TVTRHYRMYQ KGQETSTNPI ASIFAWTRGL AHRAKLDNNK DATA SEQUENCE ELAFFANALE EVSIETIEAG FMTKDLAACI KGLPNVQRSD YLNTFEFMDK DATA SEQUENCE LGENLKIKLA QAKL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.252 176.300 -0.080 0.000 1.140 1 M CA 0.000 55.266 55.300 -0.057 0.000 0.988 1 M CB 0.000 32.566 32.600 -0.057 0.000 1.302 2 S N -0.852 114.790 115.700 -0.098 0.000 2.685 2 S HA 0.916 5.386 4.470 -0.000 0.000 0.282 2 S C -1.554 172.965 174.600 -0.135 0.000 1.159 2 S CA -0.894 57.237 58.200 -0.115 0.000 0.833 2 S CB 2.525 65.648 63.200 -0.129 0.000 1.151 2 S HN 0.630 nan 8.310 nan 0.000 0.485 3 K N -0.056 120.268 120.400 -0.127 0.000 2.675 3 K HA 0.362 4.682 4.320 -0.000 0.000 0.280 3 K C -0.599 175.947 176.600 -0.090 0.000 0.993 3 K CA -0.462 55.752 56.287 -0.122 0.000 0.863 3 K CB 1.538 33.955 32.500 -0.138 0.000 1.438 3 K HN 0.422 nan 8.250 nan 0.000 0.389 4 K N 0.603 120.959 120.400 -0.074 0.000 2.826 4 K HA 0.399 4.719 4.320 -0.000 0.000 0.195 4 K C -0.394 176.180 176.600 -0.043 0.000 1.516 4 K CA 0.161 56.421 56.287 -0.046 0.000 1.213 4 K CB 0.602 33.094 32.500 -0.014 0.000 1.762 4 K HN 0.541 nan 8.250 nan 0.000 0.583 5 I N 2.223 122.759 120.570 -0.058 0.000 2.474 5 I HA 0.140 4.310 4.170 -0.000 0.000 0.287 5 I C -0.327 175.758 176.117 -0.053 0.000 1.048 5 I CA -0.356 60.912 61.300 -0.053 0.000 1.383 5 I CB 1.603 39.556 38.000 -0.078 0.000 1.412 5 I HN 0.060 nan 8.210 nan 0.000 0.531 6 S N 4.643 120.325 115.700 -0.029 0.000 2.430 6 S HA 0.148 4.618 4.470 -0.000 0.000 0.282 6 S C 1.112 175.708 174.600 -0.007 0.000 1.186 6 S CA -0.338 57.850 58.200 -0.020 0.000 1.060 6 S CB 1.095 64.288 63.200 -0.011 0.000 0.966 6 S HN 0.904 nan 8.310 nan 0.000 0.501 7 G N 2.167 110.965 108.800 -0.003 0.000 2.492 7 G HA2 0.490 4.450 3.960 -0.000 0.000 0.214 7 G HA3 0.490 4.450 3.960 -0.000 0.000 0.214 7 G C 0.747 175.673 174.900 0.044 0.000 1.147 7 G CA 0.303 45.419 45.100 0.026 0.000 0.809 7 G HN 1.189 nan 8.290 nan 0.000 0.533 8 G N -0.720 108.104 108.800 0.040 0.000 2.582 8 G HA2 0.006 3.966 3.960 -0.000 0.000 0.222 8 G HA3 0.006 3.966 3.960 -0.000 0.000 0.222 8 G C -0.281 174.660 174.900 0.068 0.000 1.311 8 G CA -0.196 44.934 45.100 0.050 0.000 0.915 8 G HN 0.800 nan 8.290 nan 0.000 0.528 9 S N -0.458 115.286 115.700 0.074 0.000 2.474 9 S HA 0.574 5.044 4.470 -0.000 0.000 0.276 9 S C 0.147 174.782 174.600 0.058 0.000 1.227 9 S CA -0.223 58.015 58.200 0.063 0.000 1.050 9 S CB 1.352 64.575 63.200 0.038 0.000 0.939 9 S HN 1.236 nan 8.310 nan 0.000 0.490 10 V N 3.870 123.829 119.914 0.075 0.000 2.760 10 V HA 0.362 4.482 4.120 -0.000 0.000 0.309 10 V C -0.427 175.727 176.094 0.101 0.000 1.077 10 V CA -0.841 61.511 62.300 0.087 0.000 0.910 10 V CB 2.180 34.077 31.823 0.123 0.000 1.008 10 V HN 0.622 nan 8.190 nan 0.000 0.424 11 V N 3.817 123.783 119.914 0.088 0.000 2.364 11 V HA 0.384 4.504 4.120 -0.000 0.000 0.272 11 V C 0.181 176.347 176.094 0.121 0.000 1.036 11 V CA -0.256 62.130 62.300 0.144 0.000 0.880 11 V CB 1.315 33.205 31.823 0.110 0.000 0.991 11 V HN 0.948 nan 8.190 nan 0.000 0.460 12 E N 5.512 125.836 120.200 0.207 0.000 2.179 12 E HA 0.619 4.969 4.350 -0.000 0.000 0.275 12 E C -1.219 175.517 176.600 0.225 0.000 0.945 12 E CA -0.808 55.721 56.400 0.214 0.000 0.792 12 E CB 1.542 31.461 29.700 0.365 0.000 1.125 12 E HN 0.644 nan 8.360 nan 0.000 0.397 13 M N 3.729 123.397 119.600 0.113 0.000 2.053 13 M HA 0.228 4.708 4.480 -0.000 0.000 0.297 13 M C -0.754 175.400 176.300 -0.243 0.000 0.921 13 M CA -0.459 54.830 55.300 -0.017 0.000 0.918 13 M CB 2.025 34.570 32.600 -0.092 0.000 1.499 13 M HN 0.400 nan 8.290 nan 0.000 0.422 14 Q N 0.891 120.596 119.800 -0.159 0.000 2.394 14 Q HA 0.585 4.925 4.340 -0.000 0.000 0.248 14 Q C 0.558 176.347 176.000 -0.351 0.000 0.992 14 Q CA -0.142 55.469 55.803 -0.321 0.000 0.888 14 Q CB 1.235 29.939 28.738 -0.057 0.000 1.257 14 Q HN 0.864 nan 8.270 nan 0.000 0.462 15 G N 0.619 109.176 108.800 -0.405 0.000 3.234 15 G HA2 0.339 4.299 3.960 -0.000 0.000 0.159 15 G HA3 0.339 4.299 3.960 -0.000 0.000 0.159 15 G C -0.970 173.811 174.900 -0.198 0.000 1.175 15 G CA -0.404 44.516 45.100 -0.299 0.000 0.900 15 G HN 0.556 nan 8.290 nan 0.000 0.621 16 D N -0.463 119.822 120.400 -0.190 0.000 2.450 16 D HA 0.386 5.026 4.640 -0.000 0.000 0.238 16 D C 0.191 176.348 176.300 -0.237 0.000 1.020 16 D CA -0.257 53.630 54.000 -0.188 0.000 1.010 16 D CB 2.146 42.829 40.800 -0.196 0.000 1.342 16 D HN 0.579 nan 8.370 nan 0.000 0.530 17 E N -0.446 119.513 120.200 -0.402 0.000 3.521 17 E HA -0.356 3.994 4.350 -0.000 0.000 0.371 17 E C 1.162 177.492 176.600 -0.450 0.000 1.564 17 E CA 1.202 57.042 56.400 -0.933 0.000 1.834 17 E CB -0.641 28.396 29.700 -1.105 0.000 1.742 17 E HN 0.351 nan 8.360 nan 0.000 0.445 18 M N 0.952 120.412 119.600 -0.234 0.000 2.144 18 M HA -0.152 4.328 4.480 -0.000 0.000 0.260 18 M C 2.292 178.600 176.300 0.013 0.000 1.067 18 M CA 2.824 58.150 55.300 0.043 0.000 1.095 18 M CB -0.476 32.197 32.600 0.121 0.000 1.365 18 M HN 0.593 nan 8.290 nan 0.000 0.406 19 T N -2.325 112.235 114.554 0.009 0.000 2.915 19 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 19 T C 1.882 176.648 174.700 0.109 0.000 1.071 19 T CA 1.308 63.461 62.100 0.089 0.000 1.132 19 T CB -0.556 68.356 68.868 0.074 0.000 0.878 19 T HN 0.517 nan 8.240 nan 0.000 0.479 20 R N 0.780 121.293 120.500 0.022 0.000 2.092 20 R HA -0.030 4.310 4.340 -0.000 0.000 0.231 20 R C 2.119 178.512 176.300 0.156 0.000 1.119 20 R CA 1.041 57.179 56.100 0.063 0.000 0.970 20 R CB -0.321 29.977 30.300 -0.003 0.000 0.864 20 R HN 0.278 nan 8.270 nan 0.000 0.440 21 I N 1.334 121.962 120.570 0.095 0.000 2.142 21 I HA -0.278 3.892 4.170 -0.000 0.000 0.240 21 I C 2.440 178.642 176.117 0.141 0.000 1.078 21 I CA 1.416 62.774 61.300 0.097 0.000 1.343 21 I CB -1.026 36.943 38.000 -0.051 0.000 1.046 21 I HN 0.259 nan 8.210 nan 0.000 0.405 22 I N -0.510 120.139 120.570 0.132 0.000 2.226 22 I HA -0.338 3.832 4.170 -0.000 0.000 0.245 22 I C 2.649 178.892 176.117 0.210 0.000 1.100 22 I CA 1.362 62.752 61.300 0.149 0.000 1.374 22 I CB -0.426 37.671 38.000 0.161 0.000 1.057 22 I HN 0.429 nan 8.210 nan 0.000 0.413 23 W N 2.258 123.603 121.300 0.075 0.000 2.318 23 W HA -0.236 4.424 4.660 0.000 0.000 0.313 23 W C 2.359 178.888 176.519 0.016 0.000 1.221 23 W CA 1.612 59.023 57.345 0.109 0.000 1.266 23 W CB -0.062 29.490 29.460 0.153 0.000 1.150 23 W HN 0.162 nan 8.180 nan 0.000 0.496 24 E N 0.489 120.817 120.200 0.215 0.000 2.106 24 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 24 E C 2.266 178.815 176.600 -0.084 0.000 0.984 24 E CA 1.156 57.584 56.400 0.047 0.000 0.806 24 E CB -0.863 28.912 29.700 0.126 0.000 0.750 24 E HN 0.433 nan 8.360 nan 0.000 0.458 25 L N 0.423 121.637 121.223 -0.014 0.000 2.083 25 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 25 L C 2.478 179.248 176.870 -0.166 0.000 1.083 25 L CA 0.785 55.606 54.840 -0.031 0.000 0.752 25 L CB -0.366 41.732 42.059 0.065 0.000 0.899 25 L HN 0.101 nan 8.230 nan 0.000 0.433 26 I N -0.250 120.163 120.570 -0.263 0.000 2.202 26 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 26 I C 2.524 178.223 176.117 -0.696 0.000 1.091 26 I CA 1.388 62.422 61.300 -0.443 0.000 1.368 26 I CB -0.272 37.391 38.000 -0.562 0.000 1.058 26 I HN 0.215 nan 8.210 nan 0.000 0.410 27 K N 0.423 120.266 120.400 -0.928 0.000 2.025 27 K HA -0.223 4.097 4.320 -0.000 0.000 0.207 27 K C 2.091 178.075 176.600 -1.028 0.000 1.049 27 K CA 1.493 56.985 56.287 -1.326 0.000 0.933 27 K CB -0.176 31.415 32.500 -1.516 0.000 0.714 27 K HN 0.123 nan 8.250 nan 0.000 0.438 28 E N 1.230 121.081 120.200 -0.583 0.000 2.072 28 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 28 E C 1.345 177.843 176.600 -0.170 0.000 0.985 28 E CA 1.522 57.761 56.400 -0.267 0.000 0.801 28 E CB 0.261 29.886 29.700 -0.125 0.000 0.750 28 E HN 0.192 nan 8.360 nan 0.000 0.452 29 K N -1.042 119.256 120.400 -0.169 0.000 2.335 29 K HA 0.201 4.521 4.320 -0.000 0.000 0.195 29 K C 1.697 178.289 176.600 -0.013 0.000 1.058 29 K CA 0.345 56.584 56.287 -0.079 0.000 0.988 29 K CB 0.566 33.034 32.500 -0.053 0.000 0.880 29 K HN 0.104 nan 8.250 nan 0.000 0.513 30 L N 0.159 121.334 121.223 -0.079 0.000 2.537 30 L HA 0.160 4.500 4.340 -0.000 0.000 0.224 30 L C 1.599 178.584 176.870 0.192 0.000 1.065 30 L CA 0.019 54.887 54.840 0.047 0.000 0.860 30 L CB 0.086 42.087 42.059 -0.096 0.000 1.086 30 L HN 0.035 nan 8.230 nan 0.000 0.482 31 I N -0.568 119.955 120.570 -0.079 0.000 3.098 31 I HA -0.012 4.158 4.170 -0.000 0.000 0.241 31 I C 2.418 178.570 176.117 0.058 0.000 1.081 31 I CA 1.029 62.309 61.300 -0.033 0.000 1.487 31 I CB -1.225 36.532 38.000 -0.406 0.000 1.366 31 I HN 0.065 nan 8.210 nan 0.000 0.463 32 F N 1.801 121.634 119.950 -0.194 0.000 2.115 32 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 32 F C -0.174 175.484 175.800 -0.237 0.000 1.092 32 F CA 1.146 59.033 58.000 -0.188 0.000 1.245 32 F CB -1.897 37.002 39.000 -0.169 0.000 0.995 32 F HN 0.154 nan 8.300 nan 0.000 0.481 33 P HA -0.179 nan 4.420 nan 0.000 0.219 33 P C 0.301 177.200 177.300 -0.668 0.000 1.146 33 P CA 1.744 64.537 63.100 -0.512 0.000 0.808 33 P CB -0.191 31.010 31.700 -0.831 0.000 0.779 34 Y N -3.296 116.959 120.300 -0.075 0.000 2.426 34 Y HA 0.263 4.813 4.550 -0.000 0.000 0.249 34 Y C 0.603 176.333 175.900 -0.285 0.000 1.103 34 Y CA -0.296 57.711 58.100 -0.155 0.000 1.256 34 Y CB 0.489 38.877 38.460 -0.120 0.000 1.208 34 Y HN -0.356 nan 8.280 nan 0.000 0.519 35 V N 0.986 120.798 119.914 -0.171 0.000 2.588 35 V HA 0.271 4.391 4.120 -0.000 0.000 0.304 35 V C -0.684 175.351 176.094 -0.098 0.000 1.042 35 V CA -1.323 60.858 62.300 -0.198 0.000 0.877 35 V CB 2.342 33.965 31.823 -0.333 0.000 0.996 35 V HN 0.085 nan 8.190 nan 0.000 0.425 36 E N 4.322 124.467 120.200 -0.093 0.000 2.055 36 E HA 0.564 4.914 4.350 -0.000 0.000 0.274 36 E C -1.322 175.244 176.600 -0.056 0.000 0.949 36 E CA -0.410 55.930 56.400 -0.100 0.000 0.775 36 E CB 0.945 30.586 29.700 -0.100 0.000 1.097 36 E HN 0.593 nan 8.360 nan 0.000 0.404 37 L N 3.226 124.428 121.223 -0.035 0.000 2.334 37 L HA 0.311 4.651 4.340 -0.000 0.000 0.275 37 L C -0.003 176.869 176.870 0.004 0.000 1.036 37 L CA -0.895 53.965 54.840 0.033 0.000 0.807 37 L CB 1.358 43.505 42.059 0.147 0.000 1.231 37 L HN 0.527 nan 8.230 nan 0.000 0.438 38 D N 3.077 123.496 120.400 0.031 0.000 2.494 38 D HA 0.266 4.906 4.640 -0.000 0.000 0.217 38 D C -0.615 175.715 176.300 0.050 0.000 1.153 38 D CA -0.102 53.905 54.000 0.012 0.000 0.954 38 D CB 0.179 41.014 40.800 0.058 0.000 1.034 38 D HN 0.249 nan 8.370 nan 0.000 0.518 39 L N 3.495 124.724 121.223 0.011 0.000 2.290 39 L HA 0.264 4.604 4.340 -0.000 0.000 0.284 39 L C -0.103 176.739 176.870 -0.047 0.000 1.078 39 L CA -0.546 54.339 54.840 0.075 0.000 0.815 39 L CB 0.723 42.870 42.059 0.146 0.000 1.162 39 L HN 0.394 nan 8.230 nan 0.000 0.435 40 H N 1.406 120.478 119.070 0.003 0.000 2.690 40 H HA 0.275 4.831 4.556 -0.000 0.000 0.280 40 H C -0.401 174.997 175.328 0.117 0.000 1.138 40 H CA -0.207 55.849 56.048 0.013 0.000 1.241 40 H CB 0.857 30.610 29.762 -0.015 0.000 1.394 40 H HN 0.456 nan 8.280 nan 0.000 0.489 41 S N 2.787 118.498 115.700 0.018 0.000 2.562 41 S HA 0.379 4.849 4.470 -0.000 0.000 0.275 41 S C -0.803 173.635 174.600 -0.269 0.000 1.281 41 S CA -0.524 57.696 58.200 0.034 0.000 1.045 41 S CB 0.531 63.765 63.200 0.057 0.000 0.962 41 S HN 0.412 nan 8.310 nan 0.000 0.503 42 Y N 0.431 120.769 120.300 0.063 0.000 2.373 42 Y HA 0.293 4.843 4.550 -0.000 0.000 0.336 42 Y C -0.201 175.697 175.900 -0.003 0.000 0.979 42 Y CA -1.147 56.967 58.100 0.023 0.000 1.080 42 Y CB 1.206 39.671 38.460 0.008 0.000 1.190 42 Y HN 0.499 nan 8.280 nan 0.000 0.446 43 D N 4.127 124.572 120.400 0.074 0.000 2.365 43 D HA 0.212 4.852 4.640 -0.000 0.000 0.237 43 D C 0.107 176.396 176.300 -0.018 0.000 1.190 43 D CA 0.204 54.215 54.000 0.018 0.000 0.867 43 D CB 0.850 41.649 40.800 -0.001 0.000 1.050 43 D HN 0.667 nan 8.370 nan 0.000 0.491 44 L N 3.090 124.277 121.223 -0.059 0.000 2.728 44 L HA 0.267 4.607 4.340 -0.000 0.000 0.235 44 L C 1.426 178.213 176.870 -0.138 0.000 1.197 44 L CA -0.485 54.293 54.840 -0.104 0.000 0.992 44 L CB 0.157 42.143 42.059 -0.121 0.000 1.263 44 L HN 0.295 nan 8.230 nan 0.000 0.484 45 G N 0.030 108.757 108.800 -0.122 0.000 2.491 45 G HA2 0.074 4.034 3.960 -0.000 0.000 0.238 45 G HA3 0.074 4.034 3.960 -0.000 0.000 0.238 45 G C 0.896 175.694 174.900 -0.170 0.000 1.277 45 G CA -0.382 44.636 45.100 -0.137 0.000 0.851 45 G HN 0.112 nan 8.290 nan 0.000 0.573 46 I N 0.706 121.134 120.570 -0.237 0.000 2.315 46 I HA -0.150 4.020 4.170 -0.000 0.000 0.251 46 I C 2.347 178.323 176.117 -0.235 0.000 1.125 46 I CA 1.678 62.797 61.300 -0.301 0.000 1.392 46 I CB -0.100 37.553 38.000 -0.578 0.000 1.065 46 I HN 0.668 nan 8.210 nan 0.000 0.424 47 E N -0.102 119.996 120.200 -0.170 0.000 2.072 47 E HA -0.195 4.155 4.350 -0.000 0.000 0.190 47 E C 2.003 178.567 176.600 -0.059 0.000 0.982 47 E CA 1.303 57.668 56.400 -0.058 0.000 0.803 47 E CB -0.375 29.336 29.700 0.020 0.000 0.755 47 E HN 0.504 nan 8.360 nan 0.000 0.453 48 N N 0.293 118.944 118.700 -0.081 0.000 2.331 48 N HA -0.051 4.689 4.740 -0.000 0.000 0.180 48 N C 1.466 176.886 175.510 -0.149 0.000 1.019 48 N CA 0.746 53.747 53.050 -0.082 0.000 0.881 48 N CB 0.199 38.650 38.487 -0.061 0.000 0.972 48 N HN -0.018 nan 8.380 nan 0.000 0.435 49 R N -0.323 120.045 120.500 -0.220 0.000 2.073 49 R HA -0.071 4.269 4.340 -0.000 0.000 0.229 49 R C 1.403 177.360 176.300 -0.572 0.000 1.120 49 R CA 1.466 57.337 56.100 -0.381 0.000 0.967 49 R CB -0.278 29.777 30.300 -0.408 0.000 0.862 49 R HN 0.316 nan 8.270 nan 0.000 0.436 50 D N 0.316 120.490 120.400 -0.377 0.000 2.117 50 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 50 D C 1.766 178.026 176.300 -0.067 0.000 0.987 50 D CA 1.442 55.357 54.000 -0.142 0.000 0.829 50 D CB 0.035 40.947 40.800 0.186 0.000 0.961 50 D HN 0.222 nan 8.370 nan 0.000 0.460 51 A N -0.472 122.309 122.820 -0.064 0.000 1.908 51 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 51 A C 2.232 179.783 177.584 -0.055 0.000 1.181 51 A CA 2.378 54.401 52.037 -0.024 0.000 0.627 51 A CB -1.070 17.919 19.000 -0.018 0.000 0.818 51 A HN 0.439 nan 8.150 nan 0.000 0.445 52 T N -3.769 110.708 114.554 -0.128 0.000 3.188 52 T HA 0.134 4.484 4.350 -0.000 0.000 0.250 52 T C 0.365 174.953 174.700 -0.187 0.000 1.077 52 T CA 0.273 62.300 62.100 -0.121 0.000 0.967 52 T CB -0.445 68.357 68.868 -0.110 0.000 1.006 52 T HN 0.462 nan 8.240 nan 0.000 0.552 53 N N 2.117 120.642 118.700 -0.292 0.000 2.735 53 N HA -0.204 4.536 4.740 -0.000 0.000 0.248 53 N C 0.097 175.217 175.510 -0.650 0.000 1.083 53 N CA 1.257 54.057 53.050 -0.418 0.000 0.703 53 N CB -1.589 36.899 38.487 0.002 0.000 1.005 53 N HN 0.688 nan 8.380 nan 0.000 0.550 54 D N -1.474 118.437 120.400 -0.815 0.000 3.079 54 D HA -0.234 4.406 4.640 -0.000 0.000 0.214 54 D C 1.128 177.277 176.300 -0.252 0.000 1.145 54 D CA 1.854 55.515 54.000 -0.565 0.000 0.958 54 D CB -0.637 39.836 40.800 -0.544 0.000 1.117 54 D HN 0.586 nan 8.370 nan 0.000 0.416 55 Q N 0.089 119.778 119.800 -0.184 0.000 2.167 55 Q HA 0.013 4.353 4.340 -0.000 0.000 0.202 55 Q C 2.079 178.048 176.000 -0.052 0.000 0.970 55 Q CA 1.874 57.628 55.803 -0.082 0.000 0.855 55 Q CB -0.364 28.346 28.738 -0.047 0.000 0.911 55 Q HN 0.429 nan 8.270 nan 0.000 0.438 56 V N -0.085 119.794 119.914 -0.057 0.000 2.469 56 V HA -0.277 3.843 4.120 -0.000 0.000 0.251 56 V C 1.692 177.781 176.094 -0.008 0.000 1.064 56 V CA 2.523 64.837 62.300 0.024 0.000 1.066 56 V CB -0.622 31.210 31.823 0.015 0.000 0.667 56 V HN 0.558 nan 8.190 nan 0.000 0.461 57 T N -0.312 114.194 114.554 -0.080 0.000 2.746 57 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 57 T C 1.874 176.512 174.700 -0.102 0.000 1.039 57 T CA 1.843 63.884 62.100 -0.098 0.000 1.142 57 T CB -0.207 68.597 68.868 -0.106 0.000 0.866 57 T HN 0.511 nan 8.240 nan 0.000 0.444 58 K N 0.676 121.029 120.400 -0.077 0.000 2.155 58 K HA -0.068 4.252 4.320 -0.000 0.000 0.203 58 K C 2.015 178.562 176.600 -0.089 0.000 1.052 58 K CA 1.126 57.374 56.287 -0.066 0.000 0.948 58 K CB -0.048 32.431 32.500 -0.034 0.000 0.728 58 K HN 0.246 nan 8.250 nan 0.000 0.448 59 D N 0.810 121.164 120.400 -0.077 0.000 2.144 59 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 59 D C 1.810 177.878 176.300 -0.385 0.000 0.984 59 D CA 1.146 55.099 54.000 -0.079 0.000 0.834 59 D CB -0.082 40.799 40.800 0.135 0.000 0.955 59 D HN 0.184 nan 8.370 nan 0.000 0.465 60 A N 1.258 123.732 122.820 -0.576 0.000 1.873 60 A HA -0.024 4.296 4.320 -0.000 0.000 0.215 60 A C 2.357 179.691 177.584 -0.416 0.000 1.186 60 A CA 2.144 53.667 52.037 -0.857 0.000 0.616 60 A CB -0.758 17.927 19.000 -0.525 0.000 0.823 60 A HN 0.225 nan 8.150 nan 0.000 0.442 61 A N -0.444 122.230 122.820 -0.243 0.000 1.883 61 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 61 A C 1.959 179.468 177.584 -0.124 0.000 1.186 61 A CA 2.231 54.181 52.037 -0.145 0.000 0.624 61 A CB -0.547 18.396 19.000 -0.094 0.000 0.822 61 A HN 0.476 nan 8.150 nan 0.000 0.444 62 E N -0.260 119.865 120.200 -0.125 0.000 2.153 62 E HA -0.015 4.335 4.350 -0.000 0.000 0.194 62 E C 2.104 178.646 176.600 -0.096 0.000 0.988 62 E CA 1.221 57.568 56.400 -0.089 0.000 0.811 62 E CB -0.413 29.250 29.700 -0.062 0.000 0.746 62 E HN 0.537 nan 8.360 nan 0.000 0.466 63 A N 0.237 122.977 122.820 -0.134 0.000 1.930 63 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 63 A C 2.199 179.787 177.584 0.007 0.000 1.175 63 A CA 1.139 53.153 52.037 -0.039 0.000 0.627 63 A CB -0.559 18.394 19.000 -0.078 0.000 0.815 63 A HN 0.283 nan 8.150 nan 0.000 0.443 64 I N -0.612 119.928 120.570 -0.050 0.000 2.315 64 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 64 I C 2.381 178.484 176.117 -0.024 0.000 1.117 64 I CA 1.363 62.654 61.300 -0.014 0.000 1.404 64 I CB -0.304 37.670 38.000 -0.043 0.000 1.071 64 I HN 0.297 nan 8.210 nan 0.000 0.419 65 K N 0.872 121.240 120.400 -0.054 0.000 2.097 65 K HA -0.228 4.092 4.320 -0.000 0.000 0.206 65 K C 2.196 178.742 176.600 -0.090 0.000 1.049 65 K CA 1.355 57.608 56.287 -0.056 0.000 0.933 65 K CB -0.114 32.352 32.500 -0.057 0.000 0.717 65 K HN 0.231 nan 8.250 nan 0.000 0.442 66 K N 0.178 120.479 120.400 -0.166 0.000 2.062 66 K HA -0.108 4.211 4.320 -0.000 0.000 0.205 66 K C 1.706 178.073 176.600 -0.389 0.000 1.051 66 K CA 1.129 57.227 56.287 -0.315 0.000 0.941 66 K CB 0.139 32.349 32.500 -0.482 0.000 0.719 66 K HN 0.253 nan 8.250 nan 0.000 0.440 67 H N 0.105 119.136 119.070 -0.065 0.000 2.563 67 H HA 0.144 4.700 4.556 -0.000 0.000 0.264 67 H C 0.336 175.659 175.328 -0.007 0.000 0.957 67 H CA 0.468 56.483 56.048 -0.056 0.000 1.173 67 H CB 0.526 30.233 29.762 -0.091 0.000 1.420 67 H HN 0.348 nan 8.280 nan 0.000 0.551 68 N N -0.136 118.611 118.700 0.079 0.000 2.936 68 N HA -0.177 4.563 4.740 -0.000 0.000 0.236 68 N C -0.013 175.582 175.510 0.142 0.000 0.930 68 N CA 1.015 54.122 53.050 0.094 0.000 0.966 68 N CB -1.065 37.478 38.487 0.093 0.000 1.090 68 N HN 0.280 nan 8.380 nan 0.000 0.592 69 V N -0.492 119.501 119.914 0.132 0.000 2.777 69 V HA 0.831 4.950 4.120 -0.000 0.000 0.306 69 V C -0.350 175.784 176.094 0.067 0.000 1.112 69 V CA 0.206 62.581 62.300 0.124 0.000 0.917 69 V CB 1.607 33.527 31.823 0.161 0.000 1.018 69 V HN 0.287 nan 8.190 nan 0.000 0.426 70 G N 4.307 113.120 108.800 0.022 0.000 2.612 70 G HA2 0.731 4.691 3.960 -0.000 0.000 0.298 70 G HA3 0.731 4.691 3.960 -0.000 0.000 0.298 70 G C -1.190 173.673 174.900 -0.062 0.000 1.336 70 G CA -0.180 44.910 45.100 -0.016 0.000 0.953 70 G HN 1.687 nan 8.290 nan 0.000 0.482 71 V N -1.284 118.566 119.914 -0.106 0.000 2.525 71 V HA 0.829 4.949 4.120 -0.000 0.000 0.299 71 V C -0.629 175.434 176.094 -0.053 0.000 1.034 71 V CA -1.191 61.014 62.300 -0.159 0.000 0.863 71 V CB 1.433 32.947 31.823 -0.515 0.000 0.999 71 V HN 0.847 nan 8.190 nan 0.000 0.423 72 K N 3.623 123.987 120.400 -0.060 0.000 2.316 72 K HA 0.700 5.020 4.320 -0.000 0.000 0.251 72 K C -0.907 175.424 176.600 -0.449 0.000 0.934 72 K CA -0.483 55.664 56.287 -0.233 0.000 0.802 72 K CB 2.097 34.483 32.500 -0.189 0.000 1.171 72 K HN 1.007 nan 8.250 nan 0.000 0.426 73 C N 3.314 122.052 119.300 -0.937 0.000 2.405 73 C HA 0.673 5.133 4.460 -0.000 0.000 0.365 73 C C 0.620 175.345 174.990 -0.442 0.000 1.233 73 C CA -0.451 57.997 59.018 -0.950 0.000 2.230 73 C CB -0.174 26.671 27.740 -1.491 0.000 2.443 73 C HN 0.910 nan 8.230 nan 0.000 0.556 74 A N 4.510 127.169 122.820 -0.268 0.000 2.561 74 A HA 0.494 4.814 4.320 -0.000 0.000 0.234 74 A C 0.605 178.077 177.584 -0.187 0.000 1.055 74 A CA 0.898 52.824 52.037 -0.185 0.000 0.756 74 A CB -0.087 18.852 19.000 -0.102 0.000 0.986 74 A HN 1.269 nan 8.150 nan 0.000 0.505 75 T N -0.339 114.123 114.554 -0.153 0.000 2.901 75 T HA 0.676 5.026 4.350 -0.000 0.000 0.293 75 T C -0.247 174.389 174.700 -0.107 0.000 1.084 75 T CA -0.669 61.343 62.100 -0.147 0.000 1.008 75 T CB 0.888 69.666 68.868 -0.150 0.000 1.170 75 T HN 0.436 nan 8.240 nan 0.000 0.509 76 I N 1.635 122.137 120.570 -0.114 0.000 2.428 76 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 76 I C 0.187 176.275 176.117 -0.048 0.000 1.019 76 I CA -0.408 60.844 61.300 -0.079 0.000 1.351 76 I CB 1.364 39.296 38.000 -0.114 0.000 1.412 76 I HN 0.687 nan 8.210 nan 0.000 0.513 77 T N 7.214 121.763 114.554 -0.009 0.000 2.821 77 T HA 0.327 4.677 4.350 -0.000 0.000 0.307 77 T C -2.322 172.400 174.700 0.038 0.000 1.034 77 T CA -1.229 60.883 62.100 0.021 0.000 0.953 77 T CB 0.930 69.813 68.868 0.026 0.000 0.968 77 T HN 0.295 nan 8.240 nan 0.000 0.462 78 P HA 0.202 nan 4.420 nan 0.000 0.264 78 P C -0.494 176.828 177.300 0.037 0.000 1.193 78 P CA -0.228 62.909 63.100 0.063 0.000 0.763 78 P CB 0.562 32.312 31.700 0.084 0.000 0.810 79 D N 0.893 121.318 120.400 0.041 0.000 2.687 79 D HA 0.170 4.810 4.640 -0.000 0.000 0.264 79 D C 0.709 177.022 176.300 0.021 0.000 1.091 79 D CA -0.617 53.395 54.000 0.020 0.000 1.123 79 D CB 0.429 41.242 40.800 0.022 0.000 1.407 79 D HN 0.058 nan 8.370 nan 0.000 0.591 80 E N 0.025 120.230 120.200 0.008 0.000 2.070 80 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 80 E C 1.764 178.380 176.600 0.028 0.000 1.004 80 E CA 1.812 58.217 56.400 0.008 0.000 0.805 80 E CB -0.142 29.557 29.700 -0.001 0.000 0.744 80 E HN 0.530 nan 8.360 nan 0.000 0.451 81 K N 0.214 120.635 120.400 0.036 0.000 2.097 81 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 81 K C 1.937 178.585 176.600 0.079 0.000 1.049 81 K CA 0.964 57.278 56.287 0.045 0.000 0.933 81 K CB 0.166 32.692 32.500 0.043 0.000 0.717 81 K HN -0.062 nan 8.250 nan 0.000 0.442 82 R N 0.227 120.798 120.500 0.117 0.000 2.090 82 R HA -0.036 4.304 4.340 -0.000 0.000 0.228 82 R C 2.269 178.721 176.300 0.254 0.000 1.110 82 R CA 0.716 56.954 56.100 0.229 0.000 0.973 82 R CB -0.729 29.700 30.300 0.216 0.000 0.869 82 R HN 0.106 nan 8.270 nan 0.000 0.440 83 V N 1.424 121.418 119.914 0.134 0.000 2.343 83 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 83 V C 2.433 178.589 176.094 0.103 0.000 1.051 83 V CA 2.022 64.382 62.300 0.100 0.000 1.036 83 V CB -0.425 31.406 31.823 0.014 0.000 0.654 83 V HN 0.402 nan 8.190 nan 0.000 0.451 84 E N -0.211 120.031 120.200 0.070 0.000 2.152 84 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 84 E C 2.232 178.844 176.600 0.020 0.000 0.983 84 E CA 1.161 57.584 56.400 0.039 0.000 0.818 84 E CB -0.030 29.683 29.700 0.020 0.000 0.758 84 E HN 0.716 nan 8.360 nan 0.000 0.467 85 E N -0.619 119.589 120.200 0.013 0.000 2.047 85 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 85 E C 0.962 177.389 176.600 -0.288 0.000 0.987 85 E CA 1.025 57.326 56.400 -0.166 0.000 0.799 85 E CB 0.017 29.569 29.700 -0.246 0.000 0.752 85 E HN 0.311 nan 8.360 nan 0.000 0.449 86 F N 0.286 120.272 119.950 0.059 0.000 2.695 86 F HA 0.261 4.788 4.527 -0.000 0.000 0.303 86 F C 0.046 175.886 175.800 0.066 0.000 1.091 86 F CA -0.303 57.738 58.000 0.068 0.000 1.300 86 F CB 0.740 39.789 39.000 0.082 0.000 1.071 86 F HN -0.239 nan 8.300 nan 0.000 0.578 87 K N 1.499 122.010 120.400 0.185 0.000 3.257 87 K HA -0.176 4.144 4.320 -0.000 0.000 0.270 87 K C -0.465 176.225 176.600 0.151 0.000 0.984 87 K CA 0.339 56.703 56.287 0.128 0.000 0.739 87 K CB -2.055 30.504 32.500 0.097 0.000 1.351 87 K HN 0.387 nan 8.250 nan 0.000 0.463 88 L N 0.434 121.754 121.223 0.161 0.000 2.436 88 L HA 0.122 4.462 4.340 -0.000 0.000 0.265 88 L C 1.997 178.900 176.870 0.056 0.000 1.168 88 L CA -0.269 54.667 54.840 0.160 0.000 0.815 88 L CB 0.400 42.548 42.059 0.149 0.000 1.109 88 L HN 0.147 nan 8.230 nan 0.000 0.462 89 K N 0.527 120.977 120.400 0.084 0.000 2.103 89 K HA -0.010 4.310 4.320 -0.000 0.000 0.204 89 K C 0.066 176.505 176.600 -0.270 0.000 1.052 89 K CA 1.051 57.330 56.287 -0.014 0.000 0.945 89 K CB 0.112 32.698 32.500 0.144 0.000 0.722 89 K HN 0.559 nan 8.250 nan 0.000 0.443 90 Q N -0.773 118.622 119.800 -0.675 0.000 2.615 90 Q HA 0.342 4.682 4.340 -0.000 0.000 0.298 90 Q C -1.076 174.379 176.000 -0.908 0.000 1.023 90 Q CA -0.641 54.639 55.803 -0.871 0.000 0.768 90 Q CB 1.856 29.847 28.738 -1.244 0.000 1.500 90 Q HN -0.023 nan 8.270 nan 0.000 0.441 91 M N 1.978 121.248 119.600 -0.550 0.000 3.213 91 M HA 0.199 4.679 4.480 -0.000 0.000 0.275 91 M C -1.336 174.813 176.300 -0.253 0.000 1.424 91 M CA -0.104 55.013 55.300 -0.307 0.000 1.561 91 M CB 0.054 32.561 32.600 -0.155 0.000 1.109 91 M HN 0.437 nan 8.290 nan 0.000 0.552 92 W N 3.275 124.570 121.300 -0.009 0.000 2.274 92 W HA -0.013 4.647 4.660 0.000 0.000 0.345 92 W C 0.578 177.086 176.519 -0.017 0.000 1.265 92 W CA -0.315 57.020 57.345 -0.016 0.000 1.293 92 W CB 0.189 29.631 29.460 -0.030 0.000 1.175 92 W HN 0.351 nan 8.180 nan 0.000 0.577 93 K N 1.505 122.061 120.400 0.259 0.000 2.126 93 K HA 0.186 4.506 4.320 -0.000 0.000 0.257 93 K C 0.384 177.047 176.600 0.106 0.000 1.007 93 K CA -0.740 55.627 56.287 0.134 0.000 0.928 93 K CB 0.987 33.551 32.500 0.107 0.000 1.013 93 K HN 0.393 nan 8.250 nan 0.000 0.473 94 S N 2.551 118.292 115.700 0.068 0.000 2.575 94 S HA 0.018 4.488 4.470 -0.000 0.000 0.295 94 S C -1.312 173.298 174.600 0.017 0.000 1.267 94 S CA -1.214 57.011 58.200 0.042 0.000 1.074 94 S CB 0.347 63.580 63.200 0.055 0.000 0.829 94 S HN 0.399 nan 8.310 nan 0.000 0.497 95 P HA -0.066 nan 4.420 nan 0.000 0.223 95 P C 0.789 178.057 177.300 -0.054 0.000 1.151 95 P CA 0.812 63.885 63.100 -0.045 0.000 0.787 95 P CB 0.044 31.697 31.700 -0.078 0.000 0.788 96 N N 0.423 119.090 118.700 -0.055 0.000 2.142 96 N HA -0.081 4.659 4.740 -0.000 0.000 0.186 96 N C 2.173 177.647 175.510 -0.060 0.000 1.023 96 N CA 1.608 54.614 53.050 -0.073 0.000 0.852 96 N CB -1.040 37.394 38.487 -0.089 0.000 0.998 96 N HN 0.200 nan 8.380 nan 0.000 0.424 97 G N 0.553 109.340 108.800 -0.021 0.000 2.418 97 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 97 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 97 G C 1.611 176.507 174.900 -0.006 0.000 1.158 97 G CA 1.313 46.413 45.100 0.001 0.000 0.771 97 G HN 0.247 nan 8.290 nan 0.000 0.545 98 T N 1.383 115.936 114.554 -0.003 0.000 2.708 98 T HA -0.066 4.284 4.350 -0.000 0.000 0.266 98 T C 2.397 177.089 174.700 -0.013 0.000 1.037 98 T CA 1.108 63.207 62.100 -0.001 0.000 1.146 98 T CB -0.174 68.690 68.868 -0.007 0.000 0.865 98 T HN 0.243 nan 8.240 nan 0.000 0.435 99 I N 0.632 121.179 120.570 -0.037 0.000 2.179 99 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 99 I C 2.807 178.906 176.117 -0.030 0.000 1.088 99 I CA 1.414 62.686 61.300 -0.048 0.000 1.357 99 I CB -0.326 37.630 38.000 -0.072 0.000 1.051 99 I HN 0.118 nan 8.210 nan 0.000 0.409 100 R N 0.539 121.017 120.500 -0.037 0.000 2.096 100 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 100 R C 2.216 178.542 176.300 0.044 0.000 1.127 100 R CA 1.514 57.597 56.100 -0.027 0.000 0.968 100 R CB -0.575 29.678 30.300 -0.078 0.000 0.861 100 R HN 0.451 nan 8.270 nan 0.000 0.440 101 N N 1.193 119.927 118.700 0.056 0.000 2.244 101 N HA -0.137 4.603 4.740 -0.000 0.000 0.183 101 N C 1.617 177.233 175.510 0.177 0.000 1.016 101 N CA 1.169 54.311 53.050 0.154 0.000 0.866 101 N CB 0.134 38.659 38.487 0.064 0.000 0.980 101 N HN 0.236 nan 8.380 nan 0.000 0.430 102 I N 0.075 120.694 120.570 0.082 0.000 2.400 102 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 102 I C 1.713 177.850 176.117 0.033 0.000 1.109 102 I CA 0.407 61.739 61.300 0.054 0.000 1.425 102 I CB 0.060 38.069 38.000 0.015 0.000 1.094 102 I HN 0.081 nan 8.210 nan 0.000 0.425 103 L N 0.284 121.518 121.223 0.019 0.000 2.127 103 L HA 0.259 4.599 4.340 -0.000 0.000 0.203 103 L C 1.219 178.092 176.870 0.005 0.000 1.080 103 L CA 1.203 56.044 54.840 0.001 0.000 0.768 103 L CB -1.296 40.755 42.059 -0.015 0.000 0.924 103 L HN 0.358 nan 8.230 nan 0.000 0.444 104 G N -1.613 107.202 108.800 0.025 0.000 2.860 104 G HA2 0.322 4.282 3.960 -0.000 0.000 0.553 104 G HA3 0.322 4.282 3.960 -0.000 0.000 0.553 104 G C 0.250 175.157 174.900 0.012 0.000 1.439 104 G CA -0.282 44.827 45.100 0.015 0.000 0.879 104 G HN 1.065 nan 8.290 nan 0.000 0.545 105 G N -1.987 106.834 108.800 0.035 0.000 2.306 105 G HA2 0.567 4.527 3.960 -0.000 0.000 0.262 105 G HA3 0.567 4.527 3.960 -0.000 0.000 0.262 105 G C -0.382 174.542 174.900 0.040 0.000 1.263 105 G CA 0.469 45.597 45.100 0.047 0.000 1.088 105 G HN 2.159 nan 8.290 nan 0.000 0.489 106 T N -0.033 114.509 114.554 -0.019 0.000 2.861 106 T HA 0.591 4.941 4.350 -0.000 0.000 0.287 106 T C -0.333 174.186 174.700 -0.301 0.000 1.003 106 T CA -0.335 61.658 62.100 -0.179 0.000 0.977 106 T CB 1.992 70.705 68.868 -0.258 0.000 0.996 106 T HN 1.034 nan 8.240 nan 0.000 0.448 107 V N 3.946 123.655 119.914 -0.342 0.000 2.333 107 V HA 0.405 4.524 4.120 -0.000 0.000 0.274 107 V C -0.728 175.171 176.094 -0.324 0.000 1.028 107 V CA -0.698 61.449 62.300 -0.255 0.000 0.851 107 V CB -0.199 31.504 31.823 -0.200 0.000 1.000 107 V HN 0.748 nan 8.190 nan 0.000 0.456 108 F N 5.314 125.253 119.950 -0.019 0.000 2.404 108 F HA 0.554 5.081 4.527 0.000 0.000 0.358 108 F C 0.935 176.715 175.800 -0.033 0.000 1.120 108 F CA -0.374 57.618 58.000 -0.012 0.000 1.144 108 F CB 0.795 39.793 39.000 -0.004 0.000 1.133 108 F HN 0.324 nan 8.300 nan 0.000 0.495 109 R N 3.070 123.635 120.500 0.108 0.000 2.562 109 R HA 0.574 4.914 4.340 -0.000 0.000 0.298 109 R C -0.887 175.432 176.300 0.030 0.000 0.961 109 R CA -0.800 55.319 56.100 0.033 0.000 0.881 109 R CB 2.628 32.905 30.300 -0.037 0.000 1.159 109 R HN 0.680 nan 8.270 nan 0.000 0.450 110 E N 1.151 121.348 120.200 -0.006 0.000 2.372 110 E HA 0.478 4.828 4.350 -0.000 0.000 0.279 110 E C -1.365 175.165 176.600 -0.117 0.000 0.946 110 E CA -0.645 55.722 56.400 -0.055 0.000 0.769 110 E CB 2.373 32.053 29.700 -0.032 0.000 1.230 110 E HN 0.693 nan 8.360 nan 0.000 0.442 111 A N 3.433 126.117 122.820 -0.226 0.000 2.366 111 A HA 0.445 4.765 4.320 -0.000 0.000 0.249 111 A C -0.151 177.278 177.584 -0.259 0.000 1.084 111 A CA -0.154 51.722 52.037 -0.269 0.000 0.794 111 A CB 0.213 18.905 19.000 -0.514 0.000 1.034 111 A HN 0.549 nan 8.150 nan 0.000 0.491 112 I N 2.789 123.217 120.570 -0.237 0.000 2.328 112 I HA 0.212 4.382 4.170 -0.000 0.000 0.287 112 I C -0.645 175.370 176.117 -0.170 0.000 1.012 112 I CA -0.353 60.789 61.300 -0.264 0.000 1.195 112 I CB 0.883 38.600 38.000 -0.472 0.000 1.350 112 I HN 0.369 nan 8.210 nan 0.000 0.464 113 I N 5.569 126.066 120.570 -0.120 0.000 2.385 113 I HA 0.313 4.483 4.170 -0.000 0.000 0.294 113 I C -0.123 175.994 176.117 -0.001 0.000 0.988 113 I CA -0.470 60.801 61.300 -0.049 0.000 1.265 113 I CB 1.431 39.407 38.000 -0.041 0.000 1.388 113 I HN 0.535 nan 8.210 nan 0.000 0.480 114 C N 5.537 124.853 119.300 0.025 0.000 2.408 114 C HA 0.299 4.759 4.460 -0.000 0.000 0.321 114 C C 1.703 176.722 174.990 0.049 0.000 1.245 114 C CA -0.859 58.184 59.018 0.042 0.000 1.523 114 C CB 1.766 29.534 27.740 0.046 0.000 2.178 114 C HN 0.804 nan 8.230 nan 0.000 0.488 115 K N 1.855 122.284 120.400 0.049 0.000 2.211 115 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 115 K C 1.399 178.024 176.600 0.042 0.000 1.047 115 K CA 1.457 57.773 56.287 0.047 0.000 0.935 115 K CB 0.026 32.552 32.500 0.044 0.000 0.728 115 K HN 0.753 nan 8.250 nan 0.000 0.452 116 N N 0.651 119.375 118.700 0.040 0.000 2.322 116 N HA -0.032 4.708 4.740 -0.000 0.000 0.194 116 N C -0.175 175.350 175.510 0.025 0.000 1.126 116 N CA 0.237 53.305 53.050 0.030 0.000 0.845 116 N CB 0.339 38.843 38.487 0.028 0.000 0.976 116 N HN -0.001 nan 8.380 nan 0.000 0.475 117 I N 2.285 122.875 120.570 0.033 0.000 2.307 117 I HA 0.397 4.567 4.170 -0.000 0.000 0.289 117 I C -2.276 173.861 176.117 0.034 0.000 1.021 117 I CA -2.426 58.891 61.300 0.028 0.000 1.224 117 I CB 0.839 38.858 38.000 0.032 0.000 1.376 117 I HN -0.239 nan 8.210 nan 0.000 0.470 118 P HA 0.309 nan 4.420 nan 0.000 0.271 118 P C -0.190 177.110 177.300 0.000 0.000 1.218 118 P CA -0.292 62.810 63.100 0.004 0.000 0.780 118 P CB 0.735 32.427 31.700 -0.013 0.000 0.901 119 R N 1.341 121.830 120.500 -0.018 0.000 2.549 119 R HA 0.391 4.731 4.340 -0.000 0.000 0.267 119 R C 1.174 177.399 176.300 -0.125 0.000 1.045 119 R CA -0.773 55.293 56.100 -0.057 0.000 1.115 119 R CB 0.518 30.756 30.300 -0.103 0.000 1.121 119 R HN 0.421 nan 8.270 nan 0.000 0.543 120 L N 0.578 121.695 121.223 -0.176 0.000 2.249 120 L HA 0.110 4.450 4.340 -0.000 0.000 0.207 120 L C 0.232 176.915 176.870 -0.311 0.000 1.090 120 L CA 0.472 55.195 54.840 -0.196 0.000 0.802 120 L CB 0.406 42.367 42.059 -0.163 0.000 0.947 120 L HN 0.247 nan 8.230 nan 0.000 0.453 121 V N 0.381 119.985 119.914 -0.516 0.000 2.364 121 V HA 0.063 4.183 4.120 -0.000 0.000 0.272 121 V C 1.290 177.034 176.094 -0.582 0.000 1.036 121 V CA 0.127 61.974 62.300 -0.756 0.000 0.880 121 V CB 1.357 32.181 31.823 -1.664 0.000 0.991 121 V HN 0.321 nan 8.190 nan 0.000 0.460 122 S N 4.078 119.551 115.700 -0.377 0.000 2.370 122 S HA -0.120 4.350 4.470 -0.000 0.000 0.226 122 S C 1.835 176.334 174.600 -0.168 0.000 1.033 122 S CA 1.383 59.448 58.200 -0.225 0.000 1.011 122 S CB -0.401 62.708 63.200 -0.152 0.000 0.852 122 S HN 0.890 nan 8.310 nan 0.000 0.457 123 G N -0.439 108.250 108.800 -0.184 0.000 2.880 123 G HA2 0.083 4.043 3.960 -0.000 0.000 0.209 123 G HA3 0.083 4.043 3.960 -0.000 0.000 0.209 123 G C -0.081 174.912 174.900 0.155 0.000 1.157 123 G CA -0.507 44.585 45.100 -0.014 0.000 0.779 123 G HN 0.497 nan 8.290 nan 0.000 0.539 124 W N 2.487 123.721 121.300 -0.111 0.000 1.839 124 W HA 0.336 4.996 4.660 -0.000 0.000 0.489 124 W C 1.172 177.698 176.519 0.012 0.000 0.789 124 W CA -1.323 55.955 57.345 -0.111 0.000 1.900 124 W CB -0.820 28.393 29.460 -0.411 0.000 1.773 124 W HN 0.040 nan 8.180 nan 0.000 0.251 125 V N -0.631 119.409 119.914 0.211 0.000 3.406 125 V HA 0.139 4.259 4.120 -0.000 0.000 0.263 125 V C 0.727 176.894 176.094 0.122 0.000 1.172 125 V CA 0.629 63.020 62.300 0.151 0.000 1.140 125 V CB -0.435 31.442 31.823 0.090 0.000 0.784 125 V HN 0.074 nan 8.190 nan 0.000 0.467 126 K N 0.649 121.098 120.400 0.081 0.000 2.340 126 K HA 0.593 4.913 4.320 -0.000 0.000 0.244 126 K C -2.919 173.638 176.600 -0.073 0.000 0.973 126 K CA -2.268 53.987 56.287 -0.053 0.000 0.828 126 K CB 1.963 34.322 32.500 -0.236 0.000 1.226 126 K HN -0.005 nan 8.250 nan 0.000 0.437 127 P HA 0.146 nan 4.420 nan 0.000 0.271 127 P C -0.817 176.287 177.300 -0.326 0.000 1.218 127 P CA 0.019 63.020 63.100 -0.166 0.000 0.780 127 P CB 0.504 32.228 31.700 0.041 0.000 0.901 128 I N 3.584 123.975 120.570 -0.298 0.000 2.389 128 I HA 0.360 4.530 4.170 -0.000 0.000 0.288 128 I C -0.044 175.976 176.117 -0.162 0.000 0.999 128 I CA -0.516 60.507 61.300 -0.462 0.000 1.129 128 I CB 1.007 38.677 38.000 -0.550 0.000 1.288 128 I HN 0.116 nan 8.210 nan 0.000 0.444 129 I N 7.318 127.871 120.570 -0.028 0.000 2.362 129 I HA 0.407 4.577 4.170 -0.000 0.000 0.289 129 I C -0.234 176.010 176.117 0.210 0.000 0.994 129 I CA -0.495 60.878 61.300 0.121 0.000 1.158 129 I CB 1.616 39.729 38.000 0.188 0.000 1.315 129 I HN 0.380 nan 8.210 nan 0.000 0.451 130 I N 5.196 125.855 120.570 0.148 0.000 2.336 130 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 130 I C 0.677 176.844 176.117 0.082 0.000 0.991 130 I CA -0.257 61.089 61.300 0.077 0.000 1.227 130 I CB 1.597 39.511 38.000 -0.144 0.000 1.366 130 I HN 0.638 nan 8.210 nan 0.000 0.466 131 G N 6.311 115.156 108.800 0.075 0.000 2.655 131 G HA2 0.324 4.284 3.960 -0.000 0.000 0.334 131 G HA3 0.324 4.284 3.960 -0.000 0.000 0.334 131 G C -0.296 174.564 174.900 -0.067 0.000 1.099 131 G CA -0.563 44.446 45.100 -0.153 0.000 1.075 131 G HN 0.615 nan 8.290 nan 0.000 0.463 132 R N 2.397 122.755 120.500 -0.236 0.000 2.216 132 R HA 0.152 4.492 4.340 -0.000 0.000 0.332 132 R C -0.239 175.872 176.300 -0.315 0.000 1.056 132 R CA -0.652 55.301 56.100 -0.245 0.000 0.901 132 R CB 0.169 30.303 30.300 -0.276 0.000 1.039 132 R HN 0.697 nan 8.270 nan 0.000 0.456 133 H N 3.342 122.004 119.070 -0.680 0.000 3.145 133 H HA -0.012 4.544 4.556 -0.000 0.000 0.288 133 H C 0.404 175.480 175.328 -0.421 0.000 0.969 133 H CA 0.321 55.839 56.048 -0.884 0.000 1.444 133 H CB 1.017 30.076 29.762 -1.171 0.000 1.500 133 H HN 0.815 nan 8.280 nan 0.000 0.552 134 A N 5.526 128.200 122.820 -0.245 0.000 2.278 134 A HA 0.001 4.321 4.320 -0.000 0.000 0.212 134 A C -0.259 177.189 177.584 -0.227 0.000 1.213 134 A CA 0.039 51.925 52.037 -0.251 0.000 0.840 134 A CB -0.146 18.765 19.000 -0.149 0.000 0.866 134 A HN 0.693 nan 8.150 nan 0.000 0.489 135 Y N -0.932 119.008 120.300 -0.601 0.000 2.499 135 Y HA 0.484 5.034 4.550 -0.000 0.000 0.347 135 Y C 0.859 176.494 175.900 -0.443 0.000 0.987 135 Y CA 0.001 57.829 58.100 -0.453 0.000 1.044 135 Y CB 1.199 39.466 38.460 -0.321 0.000 1.245 135 Y HN 0.666 nan 8.280 nan 0.000 0.461 136 G N 3.797 112.038 108.800 -0.932 0.000 2.575 136 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.267 136 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.267 136 G C -0.251 174.458 174.900 -0.318 0.000 1.264 136 G CA 0.165 44.791 45.100 -0.790 0.000 0.935 136 G HN 1.070 nan 8.290 nan 0.000 0.568 137 D N -2.335 117.919 120.400 -0.243 0.000 3.307 137 D HA -0.202 4.438 4.640 -0.000 0.000 0.197 137 D C 1.743 177.945 176.300 -0.163 0.000 1.363 137 D CA 1.896 55.856 54.000 -0.067 0.000 1.100 137 D CB -1.157 39.673 40.800 0.051 0.000 0.616 137 D HN 0.819 nan 8.370 nan 0.000 0.719 138 Q N -1.013 118.650 119.800 -0.227 0.000 2.308 138 Q HA -0.137 4.203 4.340 -0.000 0.000 0.209 138 Q C 1.400 177.055 176.000 -0.575 0.000 0.985 138 Q CA 1.536 57.074 55.803 -0.443 0.000 0.881 138 Q CB -0.272 28.104 28.738 -0.604 0.000 0.917 138 Q HN 0.515 nan 8.270 nan 0.000 0.443 139 Y N -1.071 119.149 120.300 -0.133 0.000 2.470 139 Y HA 0.247 4.797 4.550 0.000 0.000 0.302 139 Y C 0.830 176.638 175.900 -0.152 0.000 1.194 139 Y CA -0.009 58.015 58.100 -0.127 0.000 1.271 139 Y CB 0.446 38.823 38.460 -0.139 0.000 1.092 139 Y HN -0.114 nan 8.280 nan 0.000 0.513 140 R N -0.030 120.403 120.500 -0.112 0.000 2.470 140 R HA 0.433 4.773 4.340 -0.000 0.000 0.312 140 R C -0.847 175.440 176.300 -0.023 0.000 0.760 140 R CA 0.147 56.197 56.100 -0.084 0.000 0.970 140 R CB -0.662 29.510 30.300 -0.215 0.000 1.480 140 R HN 0.081 nan 8.270 nan 0.000 0.586 141 A N -0.531 122.260 122.820 -0.047 0.000 2.240 141 A HA 0.758 5.078 4.320 -0.000 0.000 0.292 141 A C -0.515 177.098 177.584 0.049 0.000 1.121 141 A CA -0.244 51.794 52.037 0.002 0.000 0.851 141 A CB 0.807 19.763 19.000 -0.074 0.000 1.167 141 A HN 0.221 nan 8.150 nan 0.000 0.503 142 T N 1.739 116.340 114.554 0.079 0.000 2.963 142 T HA 0.447 4.797 4.350 -0.000 0.000 0.328 142 T C -1.506 173.288 174.700 0.157 0.000 1.048 142 T CA -0.562 61.609 62.100 0.119 0.000 1.033 142 T CB 0.339 69.293 68.868 0.143 0.000 1.010 142 T HN 0.742 nan 8.240 nan 0.000 0.469 143 D N 2.556 123.028 120.400 0.120 0.000 2.342 143 D HA 0.687 5.327 4.640 -0.000 0.000 0.243 143 D C -0.478 175.928 176.300 0.178 0.000 1.019 143 D CA -0.747 53.291 54.000 0.063 0.000 0.864 143 D CB 1.632 42.398 40.800 -0.056 0.000 1.315 143 D HN 0.413 nan 8.370 nan 0.000 0.468 144 F N -1.435 118.496 119.950 -0.032 0.000 2.686 144 F HA 0.591 5.118 4.527 -0.000 0.000 0.311 144 F C -1.463 174.305 175.800 -0.053 0.000 1.128 144 F CA -1.431 56.545 58.000 -0.040 0.000 0.946 144 F CB 0.915 39.894 39.000 -0.036 0.000 1.336 144 F HN 0.121 nan 8.300 nan 0.000 0.457 145 V N 2.298 122.262 119.914 0.084 0.000 2.546 145 V HA 0.394 4.514 4.120 -0.000 0.000 0.284 145 V C -0.237 175.867 176.094 0.017 0.000 1.050 145 V CA -0.768 61.513 62.300 -0.031 0.000 0.981 145 V CB 1.353 33.169 31.823 -0.012 0.000 0.990 145 V HN 0.673 nan 8.190 nan 0.000 0.474 146 V N 8.453 128.273 119.914 -0.156 0.000 2.320 146 V HA 0.198 4.318 4.120 -0.000 0.000 0.265 146 V C -0.771 175.208 176.094 -0.191 0.000 1.048 146 V CA -0.975 61.190 62.300 -0.225 0.000 0.865 146 V CB 1.128 32.543 31.823 -0.680 0.000 1.043 146 V HN 0.835 nan 8.190 nan 0.000 0.474 147 P HA -0.021 nan 4.420 nan 0.000 0.219 147 P C 0.684 177.943 177.300 -0.069 0.000 1.146 147 P CA 1.411 64.473 63.100 -0.064 0.000 0.808 147 P CB 0.723 32.403 31.700 -0.033 0.000 0.779 148 G N -1.427 107.316 108.800 -0.094 0.000 2.490 148 G HA2 0.425 4.385 3.960 -0.000 0.000 0.308 148 G HA3 0.425 4.385 3.960 -0.000 0.000 0.308 148 G C -3.340 171.534 174.900 -0.042 0.000 1.286 148 G CA -0.921 44.148 45.100 -0.052 0.000 0.825 148 G HN -0.221 nan 8.290 nan 0.000 0.479 149 P HA 0.466 nan 4.420 nan 0.000 0.266 149 P C 0.487 177.830 177.300 0.071 0.000 1.193 149 P CA 1.400 64.553 63.100 0.088 0.000 0.770 149 P CB 1.093 32.835 31.700 0.070 0.000 0.836 150 G N 0.290 109.168 108.800 0.131 0.000 2.359 150 G HA2 0.275 4.235 3.960 -0.000 0.000 0.293 150 G HA3 0.275 4.235 3.960 -0.000 0.000 0.293 150 G C -1.954 173.060 174.900 0.189 0.000 1.300 150 G CA -0.739 44.427 45.100 0.110 0.000 0.888 150 G HN 0.599 nan 8.290 nan 0.000 0.541 151 K N -0.542 119.947 120.400 0.150 0.000 2.259 151 K HA 0.756 5.076 4.320 -0.000 0.000 0.249 151 K C -1.128 175.599 176.600 0.211 0.000 0.942 151 K CA -0.725 55.663 56.287 0.169 0.000 0.816 151 K CB 2.202 34.755 32.500 0.088 0.000 1.155 151 K HN 0.422 nan 8.250 nan 0.000 0.428 152 V N 3.567 123.642 119.914 0.268 0.000 2.487 152 V HA 0.371 4.491 4.120 -0.000 0.000 0.298 152 V C -0.909 175.317 176.094 0.220 0.000 1.028 152 V CA -0.690 61.783 62.300 0.288 0.000 0.860 152 V CB 1.570 33.641 31.823 0.413 0.000 0.991 152 V HN 0.865 nan 8.190 nan 0.000 0.427 153 E N 3.733 124.047 120.200 0.190 0.000 2.369 153 E HA 0.651 5.001 4.350 -0.000 0.000 0.270 153 E C -1.179 175.531 176.600 0.184 0.000 0.909 153 E CA -0.829 55.674 56.400 0.172 0.000 0.775 153 E CB 3.483 33.263 29.700 0.133 0.000 1.270 153 E HN 0.586 nan 8.360 nan 0.000 0.445 154 I N 1.328 122.025 120.570 0.212 0.000 2.509 154 I HA 0.456 4.626 4.170 -0.000 0.000 0.293 154 I C -0.974 175.318 176.117 0.291 0.000 1.020 154 I CA -0.180 61.248 61.300 0.214 0.000 1.088 154 I CB 1.644 39.748 38.000 0.173 0.000 1.267 154 I HN 0.701 nan 8.210 nan 0.000 0.430 155 T N 3.099 117.801 114.554 0.246 0.000 2.906 155 T HA 0.499 4.849 4.350 -0.000 0.000 0.295 155 T C -1.364 173.515 174.700 0.299 0.000 1.075 155 T CA -0.611 61.652 62.100 0.272 0.000 1.005 155 T CB 1.728 70.685 68.868 0.148 0.000 1.136 155 T HN 0.501 nan 8.240 nan 0.000 0.498 156 Y N 0.476 120.880 120.300 0.173 0.000 2.442 156 Y HA 0.647 5.197 4.550 0.000 0.000 0.344 156 Y C -1.185 174.764 175.900 0.081 0.000 0.976 156 Y CA -0.739 57.438 58.100 0.127 0.000 1.040 156 Y CB 2.269 40.833 38.460 0.172 0.000 1.228 156 Y HN 0.913 nan 8.280 nan 0.000 0.451 157 T N 8.457 122.595 114.554 -0.693 0.000 2.906 157 T HA 0.374 4.724 4.350 -0.000 0.000 0.302 157 T C -2.779 171.480 174.700 -0.736 0.000 1.002 157 T CA -1.270 60.464 62.100 -0.609 0.000 0.988 157 T CB 1.295 70.016 68.868 -0.244 0.000 0.972 157 T HN 0.433 nan 8.240 nan 0.000 0.447 158 P HA 0.019 nan 4.420 nan 0.000 0.266 158 P C 1.010 178.215 177.300 -0.157 0.000 1.186 158 P CA -0.034 62.878 63.100 -0.313 0.000 0.767 158 P CB 0.514 32.130 31.700 -0.140 0.000 0.820 159 S N 0.584 116.252 115.700 -0.053 0.000 2.447 159 S HA -0.173 4.297 4.470 -0.000 0.000 0.233 159 S C 1.184 175.766 174.600 -0.030 0.000 1.006 159 S CA 1.227 59.408 58.200 -0.030 0.000 0.957 159 S CB -0.801 62.403 63.200 0.006 0.000 0.773 159 S HN 0.601 nan 8.310 nan 0.000 0.507 160 D N 1.032 121.415 120.400 -0.028 0.000 2.349 160 D HA 0.174 4.814 4.640 -0.000 0.000 0.224 160 D C 1.357 177.638 176.300 -0.033 0.000 1.029 160 D CA 0.485 54.472 54.000 -0.022 0.000 0.879 160 D CB -1.130 39.663 40.800 -0.011 0.000 0.906 160 D HN 0.524 nan 8.370 nan 0.000 0.528 161 G N 0.638 109.406 108.800 -0.054 0.000 2.296 161 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.282 161 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.282 161 G C 1.035 175.904 174.900 -0.050 0.000 1.014 161 G CA 1.272 46.336 45.100 -0.059 0.000 0.812 161 G HN 0.603 nan 8.290 nan 0.000 0.508 162 T N -3.511 111.014 114.554 -0.048 0.000 3.043 162 T HA 0.356 4.706 4.350 -0.000 0.000 0.263 162 T C 0.931 175.608 174.700 -0.039 0.000 1.094 162 T CA 1.463 63.542 62.100 -0.034 0.000 1.127 162 T CB 0.085 68.940 68.868 -0.021 0.000 0.905 162 T HN 1.227 nan 8.240 nan 0.000 0.490 163 Q N -0.525 119.239 119.800 -0.060 0.000 2.854 163 Q HA 0.603 4.942 4.340 -0.000 0.000 0.331 163 Q C -1.758 174.190 176.000 -0.086 0.000 0.859 163 Q CA -1.346 54.423 55.803 -0.056 0.000 0.787 163 Q CB 1.496 30.215 28.738 -0.033 0.000 1.410 163 Q HN 0.137 nan 8.270 nan 0.000 0.510 164 K N 0.719 121.081 120.400 -0.064 0.000 2.587 164 K HA 0.400 4.720 4.320 -0.000 0.000 0.256 164 K C -2.053 174.529 176.600 -0.030 0.000 0.974 164 K CA -0.489 55.760 56.287 -0.063 0.000 0.855 164 K CB 2.391 34.861 32.500 -0.051 0.000 1.292 164 K HN 0.498 nan 8.250 nan 0.000 0.444 165 V N 2.967 122.888 119.914 0.013 0.000 2.394 165 V HA 0.426 4.546 4.120 -0.000 0.000 0.282 165 V C -0.256 175.801 176.094 -0.061 0.000 1.031 165 V CA -0.447 61.827 62.300 -0.043 0.000 0.881 165 V CB 1.544 33.392 31.823 0.041 0.000 0.982 165 V HN 0.788 nan 8.190 nan 0.000 0.451 166 T N 5.099 119.542 114.554 -0.186 0.000 2.786 166 T HA 0.609 4.959 4.350 -0.000 0.000 0.283 166 T C -1.037 173.561 174.700 -0.170 0.000 0.992 166 T CA -0.200 61.856 62.100 -0.073 0.000 0.954 166 T CB 0.486 69.346 68.868 -0.015 0.000 0.934 166 T HN 0.437 nan 8.240 nan 0.000 0.440 167 Y N 2.092 122.439 120.300 0.078 0.000 2.377 167 Y HA 0.581 5.131 4.550 0.000 0.000 0.339 167 Y C 0.016 175.959 175.900 0.073 0.000 1.011 167 Y CA -1.580 56.564 58.100 0.073 0.000 1.093 167 Y CB 0.970 39.478 38.460 0.081 0.000 1.201 167 Y HN 0.438 nan 8.280 nan 0.000 0.455 168 L N 3.693 125.035 121.223 0.198 0.000 2.313 168 L HA 0.296 4.636 4.340 -0.000 0.000 0.282 168 L C 0.025 176.984 176.870 0.148 0.000 1.092 168 L CA 0.306 55.230 54.840 0.141 0.000 0.831 168 L CB 0.700 42.810 42.059 0.086 0.000 1.159 168 L HN 0.706 nan 8.230 nan 0.000 0.442 169 V N 3.952 123.957 119.914 0.152 0.000 2.426 169 V HA 0.121 4.241 4.120 -0.000 0.000 0.242 169 V C 0.140 176.330 176.094 0.160 0.000 1.036 169 V CA 1.024 63.410 62.300 0.143 0.000 1.044 169 V CB -0.610 31.311 31.823 0.164 0.000 0.688 169 V HN 0.974 nan 8.190 nan 0.000 0.462 170 H N -1.279 117.796 119.070 0.009 0.000 3.081 170 H HA 0.330 4.886 4.556 0.001 0.000 0.322 170 H C -1.127 174.147 175.328 -0.089 0.000 1.266 170 H CA -0.848 55.123 56.048 -0.128 0.000 1.279 170 H CB 0.826 30.371 29.762 -0.362 0.000 1.954 170 H HN 0.179 nan 8.280 nan 0.000 0.530 171 N N 3.455 121.605 118.700 -0.917 0.000 2.501 171 N HA 0.248 4.988 4.740 -0.000 0.000 0.245 171 N C -1.203 173.848 175.510 -0.764 0.000 0.974 171 N CA -0.410 52.309 53.050 -0.552 0.000 0.941 171 N CB 0.681 38.971 38.487 -0.329 0.000 1.122 171 N HN 0.152 nan 8.380 nan 0.000 0.507 172 F N 2.067 121.858 119.950 -0.264 0.000 2.413 172 F HA 0.156 4.682 4.527 -0.001 0.000 0.359 172 F C 1.556 177.327 175.800 -0.049 0.000 1.122 172 F CA -0.321 57.641 58.000 -0.065 0.000 1.160 172 F CB 0.719 39.752 39.000 0.055 0.000 1.146 172 F HN 0.538 nan 8.300 nan 0.000 0.514 173 E N 0.725 120.979 120.200 0.088 0.000 2.572 173 E HA 0.035 4.385 4.350 -0.000 0.000 0.220 173 E C 1.089 177.731 176.600 0.070 0.000 0.945 173 E CA 0.103 56.539 56.400 0.060 0.000 1.070 173 E CB 0.213 29.916 29.700 0.005 0.000 1.090 173 E HN 0.725 nan 8.360 nan 0.000 0.506 174 E N 1.081 121.341 120.200 0.100 0.000 2.244 174 E HA 0.172 4.522 4.350 -0.000 0.000 0.196 174 E C 0.802 177.457 176.600 0.092 0.000 0.939 174 E CA 0.870 57.319 56.400 0.082 0.000 0.884 174 E CB 0.733 30.479 29.700 0.076 0.000 0.850 174 E HN 0.205 nan 8.360 nan 0.000 0.481 175 G N -0.439 108.445 108.800 0.140 0.000 2.696 175 G HA2 0.426 4.386 3.960 -0.000 0.000 0.151 175 G HA3 0.426 4.386 3.960 -0.000 0.000 0.151 175 G C -0.334 174.639 174.900 0.121 0.000 1.197 175 G CA -0.232 44.932 45.100 0.107 0.000 1.053 175 G HN 0.292 nan 8.290 nan 0.000 0.546 176 G N -1.965 106.874 108.800 0.066 0.000 3.075 176 G HA2 0.851 4.811 3.960 -0.000 0.000 0.253 176 G HA3 0.851 4.811 3.960 -0.000 0.000 0.253 176 G C 0.143 175.048 174.900 0.008 0.000 1.353 176 G CA 0.079 45.151 45.100 -0.047 0.000 1.051 176 G HN 1.985 nan 8.290 nan 0.000 0.553 177 G N -2.304 106.419 108.800 -0.129 0.000 2.512 177 G HA2 0.575 4.535 3.960 -0.000 0.000 0.181 177 G HA3 0.575 4.535 3.960 -0.000 0.000 0.181 177 G C -1.054 173.764 174.900 -0.137 0.000 1.173 177 G CA 0.742 45.829 45.100 -0.021 0.000 0.988 177 G HN 1.896 nan 8.290 nan 0.000 0.485 178 V N -2.764 117.099 119.914 -0.084 0.000 3.160 178 V HA 1.056 5.176 4.120 -0.000 0.000 0.310 178 V C -0.071 175.888 176.094 -0.225 0.000 1.181 178 V CA -0.189 61.981 62.300 -0.216 0.000 1.047 178 V CB 1.138 32.856 31.823 -0.175 0.000 1.068 178 V HN 2.666 nan 8.190 nan 0.000 0.441 179 A N 2.938 125.445 122.820 -0.520 0.000 2.612 179 A HA 1.002 5.322 4.320 -0.000 0.000 0.293 179 A C -0.881 176.364 177.584 -0.566 0.000 1.075 179 A CA -0.174 51.583 52.037 -0.468 0.000 0.680 179 A CB 2.112 20.858 19.000 -0.424 0.000 1.279 179 A HN 2.335 nan 8.150 nan 0.000 0.411 180 M N 0.164 119.629 119.600 -0.225 0.000 2.732 180 M HA 0.796 5.276 4.480 -0.000 0.000 0.272 180 M C -0.453 175.866 176.300 0.032 0.000 1.203 180 M CA -0.278 54.978 55.300 -0.074 0.000 0.841 180 M CB 1.776 34.313 32.600 -0.106 0.000 1.685 180 M HN 1.462 nan 8.290 nan 0.000 0.492 181 G N 2.116 110.973 108.800 0.094 0.000 2.542 181 G HA2 0.839 4.799 3.960 -0.000 0.000 0.311 181 G HA3 0.839 4.799 3.960 -0.000 0.000 0.311 181 G C -1.141 173.827 174.900 0.114 0.000 1.298 181 G CA -0.973 44.195 45.100 0.112 0.000 0.973 181 G HN 1.093 nan 8.290 nan 0.000 0.487 182 M N 0.683 120.366 119.600 0.139 0.000 2.683 182 M HA 0.864 5.344 4.480 -0.000 0.000 0.274 182 M C -1.343 175.173 176.300 0.361 0.000 1.272 182 M CA -1.146 54.255 55.300 0.168 0.000 0.833 182 M CB 2.461 35.057 32.600 -0.006 0.000 1.708 182 M HN 0.841 nan 8.290 nan 0.000 0.463 183 Y N -2.295 118.136 120.300 0.219 0.000 2.905 183 Y HA 0.812 5.361 4.550 -0.000 0.000 0.322 183 Y C -1.951 174.066 175.900 0.196 0.000 1.455 183 Y CA -0.936 57.308 58.100 0.240 0.000 1.083 183 Y CB 1.363 39.900 38.460 0.128 0.000 1.473 183 Y HN 0.914 nan 8.280 nan 0.000 0.449 184 N N -0.259 118.519 118.700 0.130 0.000 2.961 184 N HA 0.273 5.013 4.740 -0.000 0.000 0.245 184 N C -2.190 173.502 175.510 0.303 0.000 1.404 184 N CA -0.629 52.517 53.050 0.160 0.000 0.880 184 N CB 2.819 41.402 38.487 0.160 0.000 1.461 184 N HN 0.831 nan 8.380 nan 0.000 0.510 185 Q N 0.424 120.405 119.800 0.302 0.000 2.342 185 Q HA 0.339 4.679 4.340 -0.000 0.000 0.267 185 Q C -0.149 175.862 176.000 0.018 0.000 1.038 185 Q CA -0.818 55.077 55.803 0.153 0.000 0.832 185 Q CB 1.876 30.706 28.738 0.152 0.000 1.323 185 Q HN 0.457 nan 8.270 nan 0.000 0.448 186 D N 1.477 121.864 120.400 -0.021 0.000 2.116 186 D HA -0.204 4.435 4.640 -0.000 0.000 0.193 186 D C 1.538 177.816 176.300 -0.037 0.000 0.998 186 D CA 1.570 55.537 54.000 -0.055 0.000 0.836 186 D CB 0.232 41.009 40.800 -0.037 0.000 0.951 186 D HN 0.348 nan 8.370 nan 0.000 0.449 187 K N 0.863 121.251 120.400 -0.021 0.000 2.032 187 K HA -0.113 4.207 4.320 -0.000 0.000 0.209 187 K C 2.078 178.667 176.600 -0.019 0.000 1.048 187 K CA 1.585 57.862 56.287 -0.017 0.000 0.927 187 K CB -0.809 31.675 32.500 -0.027 0.000 0.712 187 K HN -0.018 nan 8.250 nan 0.000 0.441 188 S N -0.389 115.284 115.700 -0.044 0.000 2.382 188 S HA -0.038 4.432 4.470 -0.000 0.000 0.228 188 S C 1.901 176.547 174.600 0.076 0.000 1.027 188 S CA 1.292 59.489 58.200 -0.005 0.000 0.991 188 S CB -0.311 62.818 63.200 -0.117 0.000 0.823 188 S HN 0.389 nan 8.310 nan 0.000 0.469 189 I N 0.942 121.510 120.570 -0.002 0.000 2.394 189 I HA -0.113 4.057 4.170 -0.000 0.000 0.251 189 I C 2.523 178.619 176.117 -0.035 0.000 1.136 189 I CA 1.155 62.401 61.300 -0.090 0.000 1.425 189 I CB -0.321 37.491 38.000 -0.314 0.000 1.079 189 I HN 0.371 nan 8.210 nan 0.000 0.425 190 E N 0.811 120.992 120.200 -0.031 0.000 2.072 190 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 190 E C 1.685 178.330 176.600 0.075 0.000 0.985 190 E CA 1.239 57.630 56.400 -0.015 0.000 0.801 190 E CB 0.033 29.764 29.700 0.052 0.000 0.750 190 E HN 0.421 nan 8.360 nan 0.000 0.452 191 D N 0.220 120.685 120.400 0.108 0.000 2.144 191 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 191 D C 1.678 178.063 176.300 0.140 0.000 0.984 191 D CA 0.654 54.742 54.000 0.147 0.000 0.834 191 D CB -0.256 40.603 40.800 0.098 0.000 0.955 191 D HN 0.102 nan 8.370 nan 0.000 0.465 192 F N 2.050 121.934 119.950 -0.111 0.000 2.134 192 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 192 F C 2.164 177.812 175.800 -0.253 0.000 1.097 192 F CA 1.258 59.164 58.000 -0.157 0.000 1.264 192 F CB -0.627 38.164 39.000 -0.348 0.000 1.001 192 F HN -0.068 nan 8.300 nan 0.000 0.479 193 A N -0.416 121.970 122.820 -0.724 0.000 1.873 193 A HA -0.208 4.111 4.320 -0.000 0.000 0.215 193 A C 2.025 179.103 177.584 -0.844 0.000 1.186 193 A CA 1.876 52.972 52.037 -1.568 0.000 0.616 193 A CB -1.434 16.624 19.000 -1.569 0.000 0.823 193 A HN 0.601 nan 8.150 nan 0.000 0.442 194 H N 0.374 119.299 119.070 -0.242 0.000 2.352 194 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 194 H C 2.716 178.009 175.328 -0.058 0.000 1.097 194 H CA 2.221 58.267 56.048 -0.003 0.000 1.311 194 H CB 0.011 29.835 29.762 0.104 0.000 1.377 194 H HN 0.678 nan 8.280 nan 0.000 0.504 195 S N -0.619 115.139 115.700 0.096 0.000 2.402 195 S HA -0.142 4.328 4.470 -0.000 0.000 0.229 195 S C 2.194 176.895 174.600 0.168 0.000 1.021 195 S CA 1.233 59.543 58.200 0.183 0.000 0.974 195 S CB -0.190 63.190 63.200 0.299 0.000 0.800 195 S HN 0.238 nan 8.310 nan 0.000 0.484 196 S N 1.411 117.062 115.700 -0.082 0.000 2.357 196 S HA 0.138 4.608 4.470 -0.000 0.000 0.221 196 S C 1.415 175.903 174.600 -0.186 0.000 1.031 196 S CA 1.123 59.240 58.200 -0.137 0.000 0.982 196 S CB -0.568 62.370 63.200 -0.437 0.000 0.853 196 S HN 0.553 nan 8.310 nan 0.000 0.458 197 F N 2.117 121.921 119.950 -0.243 0.000 2.171 197 F HA -0.063 4.464 4.527 -0.000 0.000 0.300 197 F C 2.602 178.286 175.800 -0.193 0.000 1.090 197 F CA 0.822 58.654 58.000 -0.279 0.000 1.293 197 F CB -0.851 37.539 39.000 -1.016 0.000 1.013 197 F HN 0.219 nan 8.300 nan 0.000 0.486 198 Q N -1.021 118.756 119.800 -0.038 0.000 2.119 198 Q HA -0.217 4.123 4.340 -0.000 0.000 0.201 198 Q C 2.204 178.169 176.000 -0.057 0.000 0.972 198 Q CA 1.536 57.341 55.803 0.003 0.000 0.847 198 Q CB -0.334 28.437 28.738 0.055 0.000 0.903 198 Q HN 0.328 nan 8.270 nan 0.000 0.433 199 M N 0.638 120.190 119.600 -0.081 0.000 2.132 199 M HA -0.059 4.421 4.480 -0.000 0.000 0.263 199 M C 1.929 178.124 176.300 -0.174 0.000 1.065 199 M CA 1.737 56.914 55.300 -0.204 0.000 1.122 199 M CB -0.414 32.012 32.600 -0.290 0.000 1.365 199 M HN 0.137 nan 8.290 nan 0.000 0.411 200 A N -0.140 122.636 122.820 -0.075 0.000 1.933 200 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 200 A C 2.189 179.603 177.584 -0.285 0.000 1.175 200 A CA 1.661 53.631 52.037 -0.111 0.000 0.628 200 A CB -1.051 17.968 19.000 0.031 0.000 0.814 200 A HN 0.574 nan 8.150 nan 0.000 0.444 201 L N 0.326 121.389 121.223 -0.268 0.000 2.156 201 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 201 L C 2.927 179.666 176.870 -0.218 0.000 1.095 201 L CA 1.426 56.103 54.840 -0.272 0.000 0.770 201 L CB -0.318 41.665 42.059 -0.127 0.000 0.914 201 L HN 0.605 nan 8.230 nan 0.000 0.439 202 S N -1.137 114.436 115.700 -0.210 0.000 2.428 202 S HA -0.065 4.405 4.470 -0.000 0.000 0.230 202 S C 1.880 176.291 174.600 -0.316 0.000 1.014 202 S CA 0.427 58.496 58.200 -0.218 0.000 0.957 202 S CB -0.032 63.047 63.200 -0.202 0.000 0.784 202 S HN 0.266 nan 8.310 nan 0.000 0.499 203 K N 0.771 120.907 120.400 -0.440 0.000 2.308 203 K HA 0.257 4.577 4.320 -0.000 0.000 0.197 203 K C 1.364 177.523 176.600 -0.736 0.000 1.049 203 K CA 0.747 56.585 56.287 -0.748 0.000 0.991 203 K CB -0.443 31.395 32.500 -1.102 0.000 0.836 203 K HN 0.576 nan 8.250 nan 0.000 0.500 204 G N 1.611 110.149 108.800 -0.437 0.000 2.171 204 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.238 204 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.238 204 G C -0.662 174.233 174.900 -0.008 0.000 1.039 204 G CA -0.055 44.906 45.100 -0.232 0.000 0.759 204 G HN 0.033 nan 8.290 nan 0.000 0.501 205 W N -1.090 120.085 121.300 -0.208 0.000 2.799 205 W HA 0.607 5.267 4.660 -0.000 0.000 0.349 205 W C -2.242 174.092 176.519 -0.308 0.000 1.100 205 W CA -3.179 54.041 57.345 -0.207 0.000 1.174 205 W CB 0.366 29.765 29.460 -0.103 0.000 1.427 205 W HN -0.023 nan 8.180 nan 0.000 0.547 206 P HA 0.136 nan 4.420 nan 0.000 0.272 206 P C -0.775 176.369 177.300 -0.260 0.000 1.230 206 P CA -0.154 62.573 63.100 -0.620 0.000 0.788 206 P CB 0.652 31.521 31.700 -1.384 0.000 0.949 207 L N 2.750 123.829 121.223 -0.239 0.000 2.365 207 L HA 0.572 4.912 4.340 -0.000 0.000 0.273 207 L C -1.673 175.047 176.870 -0.250 0.000 1.000 207 L CA -0.615 54.226 54.840 0.001 0.000 0.819 207 L CB 0.999 43.246 42.059 0.313 0.000 1.284 207 L HN 0.240 nan 8.230 nan 0.000 0.418 208 Y N 4.663 125.078 120.300 0.191 0.000 2.442 208 Y HA 0.682 5.232 4.550 -0.000 0.000 0.344 208 Y C -0.849 175.128 175.900 0.128 0.000 0.976 208 Y CA -0.786 57.331 58.100 0.028 0.000 1.040 208 Y CB 2.102 40.421 38.460 -0.236 0.000 1.228 208 Y HN 0.582 nan 8.280 nan 0.000 0.451 209 L N 3.197 124.533 121.223 0.190 0.000 2.346 209 L HA 0.854 5.194 4.340 -0.000 0.000 0.276 209 L C -0.589 176.226 176.870 -0.091 0.000 1.006 209 L CA -0.398 54.475 54.840 0.056 0.000 0.817 209 L CB 1.779 43.754 42.059 -0.140 0.000 1.272 209 L HN 0.609 nan 8.230 nan 0.000 0.421 210 S N 2.119 117.833 115.700 0.023 0.000 2.513 210 S HA 0.977 5.447 4.470 -0.000 0.000 0.299 210 S C -0.291 174.294 174.600 -0.025 0.000 1.087 210 S CA 0.064 58.227 58.200 -0.062 0.000 1.012 210 S CB 1.636 64.948 63.200 0.185 0.000 1.044 210 S HN 1.021 nan 8.310 nan 0.000 0.485 211 T N -1.138 113.398 114.554 -0.030 0.000 2.671 211 T HA 0.667 5.017 4.350 -0.000 0.000 0.300 211 T C -1.052 173.704 174.700 0.094 0.000 1.238 211 T CA -0.805 61.341 62.100 0.078 0.000 1.020 211 T CB 1.531 70.531 68.868 0.219 0.000 1.503 211 T HN 0.535 nan 8.240 nan 0.000 0.497 212 K N 1.170 121.623 120.400 0.089 0.000 3.202 212 K HA 0.306 4.626 4.320 -0.000 0.000 0.206 212 K C 1.298 177.949 176.600 0.086 0.000 1.142 212 K CA -0.338 55.992 56.287 0.071 0.000 0.979 212 K CB -0.520 31.997 32.500 0.029 0.000 0.863 212 K HN 0.592 nan 8.250 nan 0.000 0.479 213 N N -0.424 118.355 118.700 0.131 0.000 2.430 213 N HA -0.176 4.564 4.740 -0.000 0.000 0.186 213 N C 0.803 176.357 175.510 0.073 0.000 1.032 213 N CA 1.801 54.916 53.050 0.107 0.000 0.893 213 N CB -0.174 38.365 38.487 0.087 0.000 0.957 213 N HN 0.353 nan 8.380 nan 0.000 0.442 214 T N -1.830 112.763 114.554 0.065 0.000 2.995 214 T HA 0.090 4.439 4.350 -0.000 0.000 0.269 214 T C 1.863 176.583 174.700 0.034 0.000 1.091 214 T CA 0.385 62.511 62.100 0.044 0.000 1.128 214 T CB 0.068 68.960 68.868 0.040 0.000 0.891 214 T HN 0.043 nan 8.240 nan 0.000 0.492 215 I N 0.547 121.136 120.570 0.032 0.000 2.899 215 I HA 0.327 4.497 4.170 -0.000 0.000 0.257 215 I C 1.179 177.308 176.117 0.020 0.000 1.115 215 I CA 0.371 61.680 61.300 0.015 0.000 1.451 215 I CB -0.622 37.377 38.000 -0.001 0.000 1.251 215 I HN 0.246 nan 8.210 nan 0.000 0.456 216 L N 2.054 123.297 121.223 0.033 0.000 2.512 216 L HA 0.209 4.548 4.340 -0.000 0.000 0.247 216 L C 1.407 178.339 176.870 0.104 0.000 1.204 216 L CA -0.149 54.724 54.840 0.055 0.000 1.153 216 L CB 0.067 42.151 42.059 0.041 0.000 1.415 216 L HN 0.127 nan 8.230 nan 0.000 0.406 217 K N 0.133 120.581 120.400 0.080 0.000 2.113 217 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 217 K C 1.600 178.260 176.600 0.100 0.000 1.047 217 K CA 1.230 57.565 56.287 0.080 0.000 0.928 217 K CB 0.116 32.651 32.500 0.058 0.000 0.716 217 K HN 0.346 nan 8.250 nan 0.000 0.446 218 K N -0.161 120.307 120.400 0.113 0.000 2.099 218 K HA -0.040 4.280 4.320 -0.000 0.000 0.203 218 K C 2.094 178.792 176.600 0.164 0.000 1.047 218 K CA 0.979 57.333 56.287 0.111 0.000 0.963 218 K CB -0.587 31.960 32.500 0.078 0.000 0.759 218 K HN 0.128 nan 8.250 nan 0.000 0.451 219 Y N 2.860 123.212 120.300 0.087 0.000 2.070 219 Y HA -0.225 4.325 4.550 -0.000 0.000 0.279 219 Y C 1.744 177.807 175.900 0.272 0.000 1.134 219 Y CA 1.977 60.169 58.100 0.153 0.000 1.113 219 Y CB -0.139 38.384 38.460 0.105 0.000 0.981 219 Y HN 0.077 nan 8.280 nan 0.000 0.487 220 D N -0.963 119.710 120.400 0.456 0.000 2.224 220 D HA -0.045 4.595 4.640 -0.000 0.000 0.205 220 D C 2.288 178.776 176.300 0.313 0.000 0.965 220 D CA 1.135 55.357 54.000 0.369 0.000 0.852 220 D CB -0.747 40.177 40.800 0.206 0.000 0.947 220 D HN 0.511 nan 8.370 nan 0.000 0.494 221 G N 0.619 109.548 108.800 0.216 0.000 2.442 221 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.219 221 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.219 221 G C 1.793 176.785 174.900 0.153 0.000 1.141 221 G CA 0.693 45.876 45.100 0.138 0.000 0.763 221 G HN 0.191 nan 8.290 nan 0.000 0.554 222 R N -0.429 120.171 120.500 0.167 0.000 2.096 222 R HA 0.019 4.359 4.340 -0.000 0.000 0.235 222 R C 2.210 178.586 176.300 0.127 0.000 1.127 222 R CA 1.164 57.319 56.100 0.092 0.000 0.968 222 R CB -0.558 29.735 30.300 -0.012 0.000 0.861 222 R HN 0.373 nan 8.270 nan 0.000 0.440 223 F N 0.680 120.708 119.950 0.130 0.000 2.102 223 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 223 F C 2.350 178.277 175.800 0.212 0.000 1.105 223 F CA 1.791 59.913 58.000 0.204 0.000 1.239 223 F CB -0.424 38.686 39.000 0.183 0.000 0.991 223 F HN 0.029 nan 8.300 nan 0.000 0.474 224 K N 0.284 120.880 120.400 0.327 0.000 2.063 224 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 224 K C 1.660 178.385 176.600 0.207 0.000 1.048 224 K CA 2.004 58.404 56.287 0.187 0.000 0.928 224 K CB -0.215 32.242 32.500 -0.071 0.000 0.713 224 K HN 0.132 nan 8.250 nan 0.000 0.442 225 D N 0.653 121.149 120.400 0.159 0.000 2.117 225 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 225 D C 1.976 178.370 176.300 0.157 0.000 0.982 225 D CA 1.048 55.128 54.000 0.132 0.000 0.828 225 D CB -0.097 40.753 40.800 0.083 0.000 0.967 225 D HN 0.307 nan 8.370 nan 0.000 0.464 226 I N 0.061 120.731 120.570 0.166 0.000 2.315 226 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 226 I C 2.103 178.317 176.117 0.161 0.000 1.117 226 I CA 0.653 62.025 61.300 0.120 0.000 1.404 226 I CB -0.134 37.901 38.000 0.059 0.000 1.071 226 I HN -0.128 nan 8.210 nan 0.000 0.419 227 F N 1.012 121.009 119.950 0.078 0.000 2.075 227 F HA -0.270 4.257 4.527 -0.000 0.000 0.297 227 F C 2.774 178.695 175.800 0.202 0.000 1.113 227 F CA 1.807 59.865 58.000 0.097 0.000 1.218 227 F CB -0.734 38.294 39.000 0.046 0.000 0.984 227 F HN 0.024 nan 8.300 nan 0.000 0.472 228 Q N 0.630 120.691 119.800 0.434 0.000 2.096 228 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 228 Q C 2.123 178.262 176.000 0.232 0.000 0.982 228 Q CA 2.121 58.150 55.803 0.377 0.000 0.850 228 Q CB -0.451 28.460 28.738 0.287 0.000 0.901 228 Q HN 0.518 nan 8.270 nan 0.000 0.422 229 E N -0.609 119.680 120.200 0.148 0.000 2.038 229 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 229 E C 1.906 178.507 176.600 0.002 0.000 1.000 229 E CA 1.478 57.916 56.400 0.063 0.000 0.803 229 E CB -0.207 29.522 29.700 0.048 0.000 0.750 229 E HN 0.489 nan 8.360 nan 0.000 0.448 230 I N 0.233 120.792 120.570 -0.017 0.000 2.394 230 I HA -0.238 3.931 4.170 -0.000 0.000 0.251 230 I C 2.236 178.225 176.117 -0.213 0.000 1.136 230 I CA 0.698 61.933 61.300 -0.108 0.000 1.425 230 I CB -0.258 37.643 38.000 -0.165 0.000 1.079 230 I HN 0.258 nan 8.210 nan 0.000 0.425 231 Y N 2.106 122.151 120.300 -0.425 0.000 2.109 231 Y HA -0.280 4.270 4.550 -0.000 0.000 0.285 231 Y C 2.247 177.950 175.900 -0.328 0.000 1.131 231 Y CA 1.666 59.360 58.100 -0.677 0.000 1.121 231 Y CB -0.438 37.708 38.460 -0.523 0.000 0.987 231 Y HN 0.157 nan 8.280 nan 0.000 0.495 232 D N 0.150 120.428 120.400 -0.203 0.000 2.149 232 D HA -0.174 4.466 4.640 -0.000 0.000 0.198 232 D C 1.833 177.988 176.300 -0.242 0.000 0.990 232 D CA 1.752 55.613 54.000 -0.232 0.000 0.839 232 D CB -0.144 40.626 40.800 -0.051 0.000 0.948 232 D HN 0.460 nan 8.370 nan 0.000 0.460 233 K N -0.288 119.990 120.400 -0.202 0.000 2.361 233 K HA 0.087 4.407 4.320 -0.000 0.000 0.196 233 K C 1.619 178.066 176.600 -0.255 0.000 1.039 233 K CA 0.479 56.656 56.287 -0.185 0.000 1.001 233 K CB 0.413 32.841 32.500 -0.121 0.000 0.795 233 K HN 0.129 nan 8.250 nan 0.000 0.495 234 Q N -1.870 117.703 119.800 -0.379 0.000 2.171 234 Q HA 0.135 4.475 4.340 -0.000 0.000 0.250 234 Q C 0.345 175.862 176.000 -0.805 0.000 0.791 234 Q CA 0.117 55.576 55.803 -0.574 0.000 0.950 234 Q CB 0.747 29.080 28.738 -0.676 0.000 1.151 234 Q HN 0.227 nan 8.270 nan 0.000 0.480 235 Y N -0.197 119.855 120.300 -0.413 0.000 2.494 235 Y HA 0.227 4.777 4.550 -0.000 0.000 0.271 235 Y C 1.917 177.562 175.900 -0.424 0.000 1.113 235 Y CA -0.303 57.590 58.100 -0.346 0.000 1.240 235 Y CB 0.500 38.692 38.460 -0.447 0.000 1.268 235 Y HN -0.140 nan 8.280 nan 0.000 0.510 236 K N 1.187 121.098 120.400 -0.815 0.000 2.077 236 K HA -0.265 4.055 4.320 -0.000 0.000 0.213 236 K C 2.129 178.620 176.600 -0.181 0.000 1.051 236 K CA 2.464 58.231 56.287 -0.866 0.000 0.929 236 K CB -0.177 31.814 32.500 -0.848 0.000 0.715 236 K HN 0.394 nan 8.250 nan 0.000 0.451 237 S N 0.336 115.958 115.700 -0.130 0.000 2.382 237 S HA -0.202 4.268 4.470 -0.000 0.000 0.228 237 S C 1.944 176.588 174.600 0.074 0.000 1.027 237 S CA 1.211 59.401 58.200 -0.017 0.000 0.991 237 S CB -0.401 62.771 63.200 -0.047 0.000 0.823 237 S HN 0.449 nan 8.310 nan 0.000 0.469 238 Q N -0.168 119.702 119.800 0.117 0.000 2.119 238 Q HA 0.006 4.346 4.340 -0.000 0.000 0.201 238 Q C 1.792 177.935 176.000 0.239 0.000 0.972 238 Q CA 1.260 57.165 55.803 0.171 0.000 0.847 238 Q CB -0.366 28.505 28.738 0.221 0.000 0.903 238 Q HN 0.551 nan 8.270 nan 0.000 0.433 239 F N 1.630 121.648 119.950 0.114 0.000 2.113 239 F HA -0.142 4.385 4.527 -0.000 0.000 0.297 239 F C 2.110 178.006 175.800 0.160 0.000 1.103 239 F CA 1.294 59.400 58.000 0.177 0.000 1.248 239 F CB -0.231 38.964 39.000 0.324 0.000 0.999 239 F HN 0.074 nan 8.300 nan 0.000 0.475 240 E N -0.134 120.265 120.200 0.331 0.000 2.118 240 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 240 E C 2.377 179.069 176.600 0.153 0.000 0.992 240 E CA 1.031 57.568 56.400 0.228 0.000 0.804 240 E CB -0.405 29.393 29.700 0.163 0.000 0.741 240 E HN 0.378 nan 8.360 nan 0.000 0.458 241 A N 1.354 124.244 122.820 0.118 0.000 1.908 241 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 241 A C 1.928 179.551 177.584 0.066 0.000 1.181 241 A CA 1.353 53.435 52.037 0.076 0.000 0.627 241 A CB -0.310 18.723 19.000 0.055 0.000 0.818 241 A HN 0.180 nan 8.150 nan 0.000 0.445 242 Q N -1.088 118.745 119.800 0.056 0.000 2.280 242 Q HA 0.114 4.454 4.340 -0.000 0.000 0.202 242 Q C -0.503 175.538 176.000 0.069 0.000 0.903 242 Q CA 0.053 55.872 55.803 0.026 0.000 0.948 242 Q CB 0.139 28.847 28.738 -0.049 0.000 1.058 242 Q HN 0.617 nan 8.270 nan 0.000 0.493 243 K N 0.324 120.802 120.400 0.129 0.000 3.088 243 K HA -0.209 4.111 4.320 -0.000 0.000 0.273 243 K C 0.153 176.926 176.600 0.289 0.000 1.111 243 K CA 0.714 57.122 56.287 0.202 0.000 0.803 243 K CB -2.083 30.519 32.500 0.170 0.000 1.226 243 K HN 0.441 nan 8.250 nan 0.000 0.485 244 I N -3.012 117.696 120.570 0.230 0.000 3.474 244 I HA 0.816 4.986 4.170 -0.000 0.000 0.294 244 I C 0.219 176.650 176.117 0.525 0.000 1.185 244 I CA -0.960 60.424 61.300 0.140 0.000 1.003 244 I CB 0.946 38.830 38.000 -0.195 0.000 1.327 244 I HN 0.133 nan 8.210 nan 0.000 0.541 245 W N 0.131 121.685 121.300 0.424 0.000 2.959 245 W HA 0.658 5.318 4.660 -0.000 0.000 0.358 245 W C -2.340 174.368 176.519 0.315 0.000 1.228 245 W CA -1.197 56.413 57.345 0.442 0.000 1.183 245 W CB 0.390 29.959 29.460 0.181 0.000 1.467 245 W HN 0.632 nan 8.180 nan 0.000 0.578 246 Y N 1.388 121.737 120.300 0.081 0.000 2.391 246 Y HA 0.688 5.238 4.550 -0.000 0.000 0.341 246 Y C -0.938 174.896 175.900 -0.110 0.000 0.965 246 Y CA -1.303 56.627 58.100 -0.283 0.000 1.067 246 Y CB 1.842 39.733 38.460 -0.948 0.000 1.199 246 Y HN 0.645 nan 8.280 nan 0.000 0.450 247 E N 4.223 123.864 120.200 -0.931 0.000 2.366 247 E HA 0.162 4.512 4.350 -0.000 0.000 0.278 247 E C -1.791 174.457 176.600 -0.588 0.000 0.923 247 E CA -1.080 54.930 56.400 -0.650 0.000 0.761 247 E CB 2.091 31.759 29.700 -0.053 0.000 1.231 247 E HN 0.650 nan 8.360 nan 0.000 0.443 248 H N 2.905 121.708 119.070 -0.444 0.000 2.458 248 H HA 0.497 5.053 4.556 -0.000 0.000 0.330 248 H C -0.906 174.370 175.328 -0.087 0.000 1.111 248 H CA -0.144 55.790 56.048 -0.189 0.000 1.245 248 H CB 0.979 30.689 29.762 -0.088 0.000 1.456 248 H HN 0.504 nan 8.280 nan 0.000 0.488 249 R N 3.682 123.788 120.500 -0.657 0.000 2.771 249 R HA 0.370 4.709 4.340 -0.000 0.000 0.274 249 R C -0.456 175.581 176.300 -0.439 0.000 0.987 249 R CA -1.021 54.852 56.100 -0.379 0.000 0.908 249 R CB 2.348 32.474 30.300 -0.290 0.000 1.213 249 R HN 0.467 nan 8.270 nan 0.000 0.468 250 L N 2.501 123.630 121.223 -0.158 0.000 2.426 250 L HA 0.066 4.406 4.340 -0.000 0.000 0.271 250 L C 1.742 178.566 176.870 -0.077 0.000 1.169 250 L CA 0.006 54.809 54.840 -0.061 0.000 0.836 250 L CB 0.452 42.514 42.059 0.006 0.000 1.112 250 L HN 0.676 nan 8.230 nan 0.000 0.465 251 I N 1.737 122.295 120.570 -0.020 0.000 2.315 251 I HA -0.302 3.868 4.170 -0.000 0.000 0.251 251 I C 1.591 177.722 176.117 0.022 0.000 1.125 251 I CA 1.811 63.132 61.300 0.034 0.000 1.392 251 I CB -0.278 37.767 38.000 0.075 0.000 1.065 251 I HN 0.714 nan 8.210 nan 0.000 0.424 252 D N 0.127 120.528 120.400 0.002 0.000 2.078 252 D HA -0.240 4.400 4.640 -0.000 0.000 0.193 252 D C 1.929 178.204 176.300 -0.040 0.000 0.990 252 D CA 1.735 55.731 54.000 -0.006 0.000 0.827 252 D CB -0.526 40.269 40.800 -0.009 0.000 0.975 252 D HN 0.463 nan 8.370 nan 0.000 0.451 253 D N -0.531 119.827 120.400 -0.071 0.000 2.104 253 D HA -0.190 4.450 4.640 -0.000 0.000 0.194 253 D C 1.886 178.073 176.300 -0.188 0.000 0.994 253 D CA 0.919 54.850 54.000 -0.116 0.000 0.830 253 D CB -0.154 40.573 40.800 -0.121 0.000 0.959 253 D HN -0.000 nan 8.370 nan 0.000 0.452 254 M N 0.267 119.735 119.600 -0.221 0.000 2.065 254 M HA -0.132 4.348 4.480 -0.000 0.000 0.259 254 M C 2.256 178.331 176.300 -0.374 0.000 1.069 254 M CA 1.872 56.941 55.300 -0.384 0.000 1.110 254 M CB -0.736 31.656 32.600 -0.347 0.000 1.328 254 M HN 0.122 nan 8.290 nan 0.000 0.405 255 V N -1.421 118.419 119.914 -0.124 0.000 2.594 255 V HA -0.070 4.050 4.120 -0.000 0.000 0.253 255 V C 2.237 178.318 176.094 -0.021 0.000 1.069 255 V CA 1.665 63.969 62.300 0.006 0.000 1.082 255 V CB -2.257 29.657 31.823 0.153 0.000 0.680 255 V HN 0.488 nan 8.190 nan 0.000 0.469 256 A N -0.536 122.246 122.820 -0.063 0.000 1.898 256 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 256 A C 2.252 179.785 177.584 -0.084 0.000 1.183 256 A CA 1.356 53.362 52.037 -0.050 0.000 0.622 256 A CB -0.525 18.442 19.000 -0.056 0.000 0.824 256 A HN 0.531 nan 8.150 nan 0.000 0.444 257 Q N -0.214 119.477 119.800 -0.182 0.000 2.096 257 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 257 Q C 2.425 178.303 176.000 -0.203 0.000 0.982 257 Q CA 1.674 57.332 55.803 -0.241 0.000 0.850 257 Q CB -0.716 27.771 28.738 -0.419 0.000 0.901 257 Q HN 0.646 nan 8.270 nan 0.000 0.422 258 A N 0.791 123.469 122.820 -0.237 0.000 1.902 258 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 258 A C 2.141 179.901 177.584 0.292 0.000 1.181 258 A CA 1.858 53.866 52.037 -0.048 0.000 0.623 258 A CB -0.505 18.404 19.000 -0.152 0.000 0.818 258 A HN 0.355 nan 8.150 nan 0.000 0.443 259 M N 0.799 120.552 119.600 0.255 0.000 2.149 259 M HA -0.159 4.321 4.480 -0.000 0.000 0.261 259 M C 1.771 178.192 176.300 0.201 0.000 1.064 259 M CA 2.424 57.901 55.300 0.295 0.000 1.102 259 M CB -0.353 32.315 32.600 0.114 0.000 1.369 259 M HN 0.511 nan 8.290 nan 0.000 0.408 260 K N -0.622 119.852 120.400 0.123 0.000 2.374 260 K HA 0.202 4.522 4.320 -0.000 0.000 0.196 260 K C 0.513 177.181 176.600 0.113 0.000 1.023 260 K CA 0.375 56.703 56.287 0.068 0.000 1.103 260 K CB -0.262 32.242 32.500 0.006 0.000 0.848 260 K HN 0.372 nan 8.250 nan 0.000 0.528 261 S N 1.471 117.290 115.700 0.198 0.000 2.640 261 S HA 0.008 4.478 4.470 -0.000 0.000 0.262 261 S C 0.708 175.475 174.600 0.279 0.000 1.232 261 S CA -0.336 57.976 58.200 0.186 0.000 0.988 261 S CB 0.909 64.216 63.200 0.178 0.000 1.034 261 S HN 0.472 nan 8.310 nan 0.000 0.569 262 E N -0.682 119.638 120.200 0.201 0.000 2.548 262 E HA 0.480 4.830 4.350 -0.000 0.000 0.206 262 E C 0.911 177.572 176.600 0.101 0.000 1.005 262 E CA -0.371 56.137 56.400 0.180 0.000 0.951 262 E CB -0.569 29.191 29.700 0.100 0.000 1.035 262 E HN 1.148 nan 8.360 nan 0.000 0.470 263 G N 0.623 109.453 108.800 0.049 0.000 2.693 263 G HA2 0.007 3.967 3.960 -0.000 0.000 0.226 263 G HA3 0.007 3.967 3.960 -0.000 0.000 0.226 263 G C 0.628 175.357 174.900 -0.284 0.000 1.354 263 G CA -0.194 44.760 45.100 -0.243 0.000 0.873 263 G HN 1.211 nan 8.290 nan 0.000 0.562 264 G N -2.266 106.107 108.800 -0.712 0.000 2.325 264 G HA2 0.437 4.397 3.960 -0.000 0.000 0.248 264 G HA3 0.437 4.397 3.960 -0.000 0.000 0.248 264 G C 0.082 174.506 174.900 -0.794 0.000 1.108 264 G CA 0.963 45.360 45.100 -1.172 0.000 0.881 264 G HN 2.446 nan 8.290 nan 0.000 0.494 265 F N -1.975 117.729 119.950 -0.411 0.000 2.713 265 F HA 0.806 5.333 4.527 -0.000 0.000 0.311 265 F C -0.776 175.179 175.800 0.258 0.000 1.141 265 F CA -2.497 55.518 58.000 0.024 0.000 0.939 265 F CB 0.788 39.842 39.000 0.090 0.000 1.325 265 F HN 0.016 nan 8.300 nan 0.000 0.453 266 I N 2.059 122.957 120.570 0.545 0.000 2.385 266 I HA 0.159 4.329 4.170 -0.000 0.000 0.294 266 I C -1.206 175.300 176.117 0.648 0.000 0.988 266 I CA -0.440 61.141 61.300 0.470 0.000 1.265 266 I CB 1.286 39.485 38.000 0.332 0.000 1.388 266 I HN 0.803 nan 8.210 nan 0.000 0.480 267 W N 7.256 128.775 121.300 0.365 0.000 2.391 267 W HA 0.656 5.316 4.660 -0.000 0.000 0.312 267 W C -0.594 176.062 176.519 0.229 0.000 1.003 267 W CA -1.829 55.723 57.345 0.346 0.000 1.375 267 W CB 1.218 30.887 29.460 0.347 0.000 1.253 267 W HN 0.572 nan 8.180 nan 0.000 0.416 268 A N 4.916 128.053 122.820 0.529 0.000 2.396 268 A HA 0.523 4.843 4.320 -0.000 0.000 0.279 268 A C -0.462 177.318 177.584 0.327 0.000 1.165 268 A CA 0.151 52.379 52.037 0.317 0.000 0.824 268 A CB -0.145 18.874 19.000 0.032 0.000 1.100 268 A HN 0.556 nan 8.150 nan 0.000 0.516 269 C N 3.050 122.494 119.300 0.239 0.000 2.455 269 C HA 0.461 4.921 4.460 -0.000 0.000 0.320 269 C C 0.683 175.713 174.990 0.067 0.000 1.226 269 C CA -0.891 58.142 59.018 0.025 0.000 1.569 269 C CB 1.370 28.896 27.740 -0.357 0.000 2.200 269 C HN 0.949 nan 8.230 nan 0.000 0.491 270 K N 1.745 122.149 120.400 0.007 0.000 2.276 270 K HA 0.016 4.336 4.320 -0.000 0.000 0.259 270 K C 1.274 177.822 176.600 -0.088 0.000 1.001 270 K CA -0.139 56.106 56.287 -0.071 0.000 0.927 270 K CB 0.411 32.809 32.500 -0.169 0.000 0.969 270 K HN 0.603 nan 8.250 nan 0.000 0.490 271 N N 1.187 119.836 118.700 -0.085 0.000 2.064 271 N HA -0.285 4.455 4.740 -0.000 0.000 0.200 271 N C 1.679 177.182 175.510 -0.012 0.000 1.028 271 N CA 1.917 54.891 53.050 -0.128 0.000 0.880 271 N CB -0.379 38.072 38.487 -0.060 0.000 1.062 271 N HN 0.569 nan 8.380 nan 0.000 0.454 272 Y N 1.868 122.230 120.300 0.104 0.000 2.114 272 Y HA -0.174 4.376 4.550 0.000 0.000 0.284 272 Y C 2.111 178.005 175.900 -0.011 0.000 1.143 272 Y CA 1.977 60.159 58.100 0.136 0.000 1.135 272 Y CB -0.573 37.919 38.460 0.054 0.000 0.980 272 Y HN 0.142 nan 8.280 nan 0.000 0.499 273 D N -0.591 119.763 120.400 -0.076 0.000 2.117 273 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 273 D C 2.319 178.416 176.300 -0.338 0.000 0.987 273 D CA 1.532 55.410 54.000 -0.202 0.000 0.829 273 D CB -0.792 39.959 40.800 -0.081 0.000 0.961 273 D HN 0.548 nan 8.370 nan 0.000 0.460 274 G N 0.773 109.386 108.800 -0.312 0.000 2.422 274 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.218 274 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.218 274 G C 1.439 176.142 174.900 -0.328 0.000 1.146 274 G CA 0.921 45.804 45.100 -0.361 0.000 0.769 274 G HN 0.179 nan 8.290 nan 0.000 0.547 275 D N 0.332 120.542 120.400 -0.317 0.000 2.078 275 D HA -0.110 4.530 4.640 -0.000 0.000 0.193 275 D C 2.680 178.813 176.300 -0.277 0.000 0.990 275 D CA 1.184 55.013 54.000 -0.285 0.000 0.827 275 D CB -0.401 40.261 40.800 -0.232 0.000 0.975 275 D HN 0.154 nan 8.370 nan 0.000 0.451 276 V N 0.776 120.460 119.914 -0.383 0.000 2.307 276 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 276 V C 2.517 178.489 176.094 -0.203 0.000 1.045 276 V CA 1.472 63.584 62.300 -0.313 0.000 1.024 276 V CB -0.555 31.010 31.823 -0.430 0.000 0.651 276 V HN 0.255 nan 8.190 nan 0.000 0.449 277 Q N 0.549 120.200 119.800 -0.248 0.000 2.224 277 Q HA -0.107 4.233 4.340 -0.000 0.000 0.203 277 Q C 2.514 178.416 176.000 -0.162 0.000 0.970 277 Q CA 1.705 57.385 55.803 -0.205 0.000 0.865 277 Q CB -0.666 27.811 28.738 -0.435 0.000 0.922 277 Q HN 0.824 nan 8.270 nan 0.000 0.445 278 S N 0.553 116.134 115.700 -0.197 0.000 2.423 278 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 278 S C 1.287 175.866 174.600 -0.036 0.000 1.014 278 S CA 1.196 59.324 58.200 -0.120 0.000 0.965 278 S CB -0.055 63.061 63.200 -0.141 0.000 0.785 278 S HN 0.142 nan 8.310 nan 0.000 0.495 279 D N 1.428 121.803 120.400 -0.042 0.000 2.123 279 D HA 0.030 4.670 4.640 -0.000 0.000 0.200 279 D C 2.149 178.476 176.300 0.045 0.000 0.976 279 D CA 1.217 55.217 54.000 0.001 0.000 0.831 279 D CB -0.502 40.286 40.800 -0.021 0.000 0.974 279 D HN 0.424 nan 8.370 nan 0.000 0.469 280 S N -0.543 115.188 115.700 0.051 0.000 2.368 280 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 280 S C 2.042 176.770 174.600 0.212 0.000 1.030 280 S CA 0.881 59.147 58.200 0.110 0.000 0.999 280 S CB -0.255 63.016 63.200 0.118 0.000 0.844 280 S HN 0.036 nan 8.310 nan 0.000 0.459 281 V N 1.987 122.037 119.914 0.226 0.000 2.358 281 V HA -0.091 4.029 4.120 -0.000 0.000 0.246 281 V C 2.818 179.151 176.094 0.398 0.000 1.047 281 V CA 1.667 64.169 62.300 0.337 0.000 1.035 281 V CB -1.263 30.657 31.823 0.162 0.000 0.658 281 V HN 0.602 nan 8.190 nan 0.000 0.452 282 A N -0.472 122.487 122.820 0.232 0.000 1.902 282 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 282 A C 2.169 179.875 177.584 0.203 0.000 1.181 282 A CA 2.126 54.283 52.037 0.200 0.000 0.623 282 A CB -0.538 18.521 19.000 0.099 0.000 0.818 282 A HN 0.520 nan 8.150 nan 0.000 0.443 283 Q N -0.043 119.847 119.800 0.150 0.000 2.167 283 Q HA -0.008 4.332 4.340 -0.000 0.000 0.202 283 Q C 1.887 177.945 176.000 0.098 0.000 0.970 283 Q CA 1.869 57.729 55.803 0.096 0.000 0.855 283 Q CB -0.925 27.846 28.738 0.055 0.000 0.911 283 Q HN 0.514 nan 8.270 nan 0.000 0.438 284 G N -1.022 107.876 108.800 0.163 0.000 2.421 284 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 284 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 284 G C 0.914 175.811 174.900 -0.005 0.000 1.171 284 G CA 0.879 45.991 45.100 0.020 0.000 0.775 284 G HN 0.469 nan 8.290 nan 0.000 0.543 285 Y N 0.387 120.824 120.300 0.229 0.000 2.509 285 Y HA 0.252 4.802 4.550 -0.000 0.000 0.293 285 Y C 2.314 178.253 175.900 0.064 0.000 1.133 285 Y CA 0.834 59.036 58.100 0.170 0.000 1.283 285 Y CB 0.544 39.109 38.460 0.175 0.000 1.001 285 Y HN 0.364 nan 8.280 nan 0.000 0.555 286 G N -1.947 106.957 108.800 0.173 0.000 4.373 286 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.195 286 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.195 286 G C -0.209 174.717 174.900 0.044 0.000 1.377 286 G CA 0.117 45.265 45.100 0.081 0.000 0.858 286 G HN 0.183 nan 8.290 nan 0.000 0.307 287 S N -0.841 114.890 115.700 0.052 0.000 2.537 287 S HA 0.541 5.011 4.470 -0.000 0.000 0.271 287 S C 0.725 175.338 174.600 0.022 0.000 1.148 287 S CA -0.346 57.862 58.200 0.013 0.000 0.868 287 S CB 1.078 64.264 63.200 -0.023 0.000 1.115 287 S HN 0.474 nan 8.310 nan 0.000 0.461 288 L N 2.962 124.186 121.223 0.002 0.000 2.353 288 L HA 0.082 4.422 4.340 -0.000 0.000 0.220 288 L C 2.378 179.284 176.870 0.059 0.000 1.133 288 L CA 1.437 56.294 54.840 0.028 0.000 0.798 288 L CB -0.603 41.453 42.059 -0.005 0.000 0.922 288 L HN 0.894 nan 8.230 nan 0.000 0.445 289 G N -0.849 107.934 108.800 -0.028 0.000 2.744 289 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.211 289 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.211 289 G C 0.946 175.868 174.900 0.038 0.000 1.143 289 G CA 0.011 45.108 45.100 -0.005 0.000 0.788 289 G HN 0.101 nan 8.290 nan 0.000 0.534 290 M N 0.831 120.431 119.600 0.000 0.000 2.561 290 M HA 0.559 5.039 4.480 -0.000 0.000 0.266 290 M C -0.541 175.708 176.300 -0.085 0.000 1.080 290 M CA -0.059 55.199 55.300 -0.070 0.000 0.993 290 M CB 0.331 32.893 32.600 -0.062 0.000 1.303 290 M HN 0.182 nan 8.290 nan 0.000 0.462 291 M N 1.564 121.110 119.600 -0.090 0.000 2.426 291 M HA 0.453 4.933 4.480 -0.000 0.000 0.289 291 M C -1.113 175.144 176.300 -0.071 0.000 1.168 291 M CA -0.195 55.056 55.300 -0.082 0.000 0.933 291 M CB 2.414 35.003 32.600 -0.018 0.000 1.750 291 M HN 0.480 nan 8.290 nan 0.000 0.494 292 T N 0.218 114.738 114.554 -0.057 0.000 2.943 292 T HA 0.752 5.102 4.350 -0.000 0.000 0.284 292 T C -0.472 174.236 174.700 0.015 0.000 1.015 292 T CA -0.744 61.364 62.100 0.013 0.000 1.042 292 T CB 1.657 70.564 68.868 0.065 0.000 1.055 292 T HN 0.626 nan 8.240 nan 0.000 0.500 293 S N 0.973 116.689 115.700 0.026 0.000 2.706 293 S HA 0.546 5.016 4.470 -0.000 0.000 0.270 293 S C -1.477 173.131 174.600 0.014 0.000 1.163 293 S CA -0.671 57.532 58.200 0.005 0.000 1.042 293 S CB 0.499 63.674 63.200 -0.042 0.000 1.079 293 S HN 0.749 nan 8.310 nan 0.000 0.474 294 V N 5.340 125.279 119.914 0.041 0.000 2.577 294 V HA 0.533 4.653 4.120 -0.000 0.000 0.303 294 V C -0.440 175.677 176.094 0.037 0.000 1.042 294 V CA -0.841 61.478 62.300 0.033 0.000 0.872 294 V CB 1.610 33.460 31.823 0.045 0.000 0.998 294 V HN 0.816 nan 8.190 nan 0.000 0.423 295 L N 6.770 127.983 121.223 -0.016 0.000 2.278 295 L HA 0.548 4.888 4.340 -0.000 0.000 0.287 295 L C -0.348 176.517 176.870 -0.008 0.000 1.072 295 L CA 0.467 55.290 54.840 -0.028 0.000 0.819 295 L CB 1.172 43.197 42.059 -0.057 0.000 1.176 295 L HN 0.465 nan 8.230 nan 0.000 0.435 296 V N 5.627 125.571 119.914 0.051 0.000 2.328 296 V HA 0.290 4.410 4.120 -0.000 0.000 0.278 296 V C 0.163 176.289 176.094 0.053 0.000 1.021 296 V CA -0.622 61.716 62.300 0.063 0.000 0.838 296 V CB 0.867 32.811 31.823 0.201 0.000 0.999 296 V HN 0.913 nan 8.190 nan 0.000 0.447 297 C N 6.826 126.136 119.300 0.017 0.000 2.595 297 C HA 0.251 4.711 4.460 -0.000 0.000 0.384 297 C C -0.301 174.712 174.990 0.039 0.000 1.289 297 C CA -0.755 58.277 59.018 0.022 0.000 2.372 297 C CB 0.805 28.548 27.740 0.006 0.000 2.593 297 C HN 0.685 nan 8.230 nan 0.000 0.639 298 P HA -0.172 nan 4.420 nan 0.000 0.215 298 P C 1.222 178.536 177.300 0.023 0.000 1.157 298 P CA 1.719 64.839 63.100 0.033 0.000 0.874 298 P CB -0.120 31.589 31.700 0.016 0.000 0.790 299 D N -0.567 119.843 120.400 0.017 0.000 2.357 299 D HA -0.115 4.525 4.640 -0.000 0.000 0.216 299 D C 1.305 177.622 176.300 0.029 0.000 0.973 299 D CA 1.346 55.355 54.000 0.015 0.000 0.912 299 D CB -1.375 39.433 40.800 0.013 0.000 0.900 299 D HN 0.265 nan 8.370 nan 0.000 0.501 300 G N 1.172 109.996 108.800 0.040 0.000 2.283 300 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.280 300 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.280 300 G C 0.635 175.586 174.900 0.085 0.000 1.029 300 G CA 0.965 46.098 45.100 0.056 0.000 0.840 300 G HN 0.622 nan 8.290 nan 0.000 0.505 301 K N -1.964 118.493 120.400 0.096 0.000 2.711 301 K HA 0.126 4.446 4.320 -0.000 0.000 0.197 301 K C 0.602 177.340 176.600 0.230 0.000 1.535 301 K CA 0.610 56.991 56.287 0.157 0.000 1.170 301 K CB 0.498 33.047 32.500 0.083 0.000 1.596 301 K HN 0.231 nan 8.250 nan 0.000 0.584 302 T N 1.339 115.956 114.554 0.104 0.000 2.845 302 T HA 0.457 4.807 4.350 -0.000 0.000 0.288 302 T C -0.945 173.737 174.700 -0.029 0.000 0.980 302 T CA -0.321 61.819 62.100 0.067 0.000 1.071 302 T CB 1.904 70.788 68.868 0.027 0.000 0.941 302 T HN -0.068 nan 8.240 nan 0.000 0.487 303 V N 2.458 122.335 119.914 -0.063 0.000 2.971 303 V HA 0.526 4.646 4.120 -0.000 0.000 0.309 303 V C -0.759 175.292 176.094 -0.072 0.000 1.130 303 V CA -0.807 61.395 62.300 -0.163 0.000 0.964 303 V CB 2.319 33.838 31.823 -0.507 0.000 1.029 303 V HN 0.892 nan 8.190 nan 0.000 0.427 304 E N 2.851 123.009 120.200 -0.069 0.000 2.244 304 E HA 0.715 5.065 4.350 -0.000 0.000 0.260 304 E C -1.011 175.558 176.600 -0.052 0.000 0.884 304 E CA -0.529 55.838 56.400 -0.055 0.000 0.777 304 E CB 1.923 31.587 29.700 -0.059 0.000 1.197 304 E HN 0.854 nan 8.360 nan 0.000 0.416 305 A N 4.335 127.128 122.820 -0.045 0.000 2.312 305 A HA 0.682 5.002 4.320 -0.000 0.000 0.326 305 A C -0.544 177.022 177.584 -0.029 0.000 1.172 305 A CA -0.415 51.606 52.037 -0.027 0.000 0.821 305 A CB 0.772 19.767 19.000 -0.009 0.000 1.166 305 A HN 0.776 nan 8.150 nan 0.000 0.493 306 E N 0.179 120.368 120.200 -0.018 0.000 2.449 306 E HA 0.692 5.042 4.350 -0.000 0.000 0.278 306 E C -0.665 175.916 176.600 -0.032 0.000 1.059 306 E CA -0.988 55.393 56.400 -0.032 0.000 0.854 306 E CB 1.347 30.992 29.700 -0.090 0.000 1.465 306 E HN 0.896 nan 8.360 nan 0.000 0.462 307 A N 0.115 122.876 122.820 -0.097 0.000 2.303 307 A HA 0.687 5.007 4.320 -0.000 0.000 0.317 307 A C 0.685 178.110 177.584 -0.265 0.000 1.149 307 A CA -0.016 51.892 52.037 -0.215 0.000 0.822 307 A CB 0.961 19.686 19.000 -0.458 0.000 1.131 307 A HN 0.790 nan 8.150 nan 0.000 0.493 308 A N 0.938 123.629 122.820 -0.216 0.000 1.970 308 A HA 0.192 4.512 4.320 -0.000 0.000 0.216 308 A C 1.051 178.563 177.584 -0.121 0.000 1.170 308 A CA 1.470 53.424 52.037 -0.138 0.000 0.645 308 A CB -0.945 18.015 19.000 -0.067 0.000 0.816 308 A HN 1.104 nan 8.150 nan 0.000 0.447 309 H N -1.966 117.084 119.070 -0.033 0.000 2.548 309 H HA 0.612 5.168 4.556 -0.000 0.000 0.366 309 H C 0.865 176.165 175.328 -0.047 0.000 1.433 309 H CA -0.501 55.522 56.048 -0.041 0.000 1.443 309 H CB -0.097 29.641 29.762 -0.039 0.000 1.594 309 H HN 0.137 nan 8.280 nan 0.000 0.608 310 G N -1.474 107.436 108.800 0.183 0.000 2.543 310 G HA2 0.238 4.198 3.960 -0.000 0.000 0.267 310 G HA3 0.238 4.198 3.960 -0.000 0.000 0.267 310 G C 0.754 175.732 174.900 0.130 0.000 1.406 310 G CA -0.271 44.881 45.100 0.086 0.000 1.048 310 G HN 0.947 nan 8.290 nan 0.000 0.548 311 T N -2.443 112.123 114.554 0.021 0.000 3.163 311 T HA 0.050 4.400 4.350 -0.000 0.000 0.260 311 T C 0.895 175.580 174.700 -0.025 0.000 1.156 311 T CA 0.595 62.684 62.100 -0.019 0.000 1.072 311 T CB -0.520 68.293 68.868 -0.093 0.000 0.937 311 T HN 1.356 nan 8.240 nan 0.000 0.528 312 V N 1.157 121.050 119.914 -0.035 0.000 5.820 312 V HA -0.278 3.842 4.120 -0.000 0.000 0.300 312 V C 1.670 177.757 176.094 -0.011 0.000 0.585 312 V CA 0.898 63.127 62.300 -0.119 0.000 0.629 312 V CB -3.481 28.199 31.823 -0.239 0.000 0.291 312 V HN 0.672 nan 8.190 nan 0.000 0.887 313 T N -0.054 114.522 114.554 0.037 0.000 2.685 313 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 313 T C 1.951 176.771 174.700 0.201 0.000 1.034 313 T CA 2.340 64.525 62.100 0.142 0.000 1.149 313 T CB -0.167 68.766 68.868 0.108 0.000 0.860 313 T HN 0.749 nan 8.240 nan 0.000 0.449 314 R N 0.248 120.825 120.500 0.129 0.000 2.083 314 R HA -0.095 4.245 4.340 -0.000 0.000 0.237 314 R C 2.361 178.823 176.300 0.270 0.000 1.137 314 R CA 1.680 57.882 56.100 0.170 0.000 0.951 314 R CB -0.548 29.839 30.300 0.146 0.000 0.851 314 R HN 0.654 nan 8.270 nan 0.000 0.434 315 H N -1.463 117.662 119.070 0.091 0.000 2.421 315 H HA -0.167 4.389 4.556 -0.000 0.000 0.298 315 H C 1.873 177.298 175.328 0.162 0.000 1.087 315 H CA 1.065 57.167 56.048 0.091 0.000 1.330 315 H CB -0.045 29.748 29.762 0.052 0.000 1.388 315 H HN 0.230 nan 8.280 nan 0.000 0.526 316 Y N 1.984 122.404 120.300 0.200 0.000 2.274 316 Y HA -0.180 4.370 4.550 -0.000 0.000 0.290 316 Y C 2.174 178.208 175.900 0.223 0.000 1.145 316 Y CA 0.952 59.164 58.100 0.187 0.000 1.203 316 Y CB 0.017 38.552 38.460 0.125 0.000 0.984 316 Y HN -0.041 nan 8.280 nan 0.000 0.533 317 R N -0.239 120.352 120.500 0.152 0.000 2.092 317 R HA -0.102 4.238 4.340 -0.000 0.000 0.231 317 R C 2.184 178.489 176.300 0.008 0.000 1.119 317 R CA 1.617 57.746 56.100 0.047 0.000 0.970 317 R CB -0.817 29.538 30.300 0.093 0.000 0.864 317 R HN 0.476 nan 8.270 nan 0.000 0.440 318 M N -0.880 118.755 119.600 0.058 0.000 2.254 318 M HA -0.125 4.355 4.480 -0.000 0.000 0.265 318 M C 1.969 178.288 176.300 0.032 0.000 1.066 318 M CA 1.240 56.562 55.300 0.038 0.000 1.123 318 M CB -0.367 32.260 32.600 0.044 0.000 1.388 318 M HN 0.021 nan 8.290 nan 0.000 0.425 319 Y N 1.543 121.800 120.300 -0.072 0.000 2.163 319 Y HA -0.235 4.315 4.550 -0.000 0.000 0.288 319 Y C 2.276 178.097 175.900 -0.133 0.000 1.136 319 Y CA 1.799 59.854 58.100 -0.075 0.000 1.147 319 Y CB -0.273 38.135 38.460 -0.087 0.000 0.987 319 Y HN 0.221 nan 8.280 nan 0.000 0.509 320 Q N -0.073 119.580 119.800 -0.245 0.000 2.124 320 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 320 Q C 1.917 177.797 176.000 -0.200 0.000 0.977 320 Q CA 1.226 56.863 55.803 -0.276 0.000 0.850 320 Q CB -0.103 28.497 28.738 -0.230 0.000 0.901 320 Q HN 0.242 nan 8.270 nan 0.000 0.429 321 K N -0.322 119.997 120.400 -0.135 0.000 2.555 321 K HA -0.026 4.294 4.320 -0.000 0.000 0.193 321 K C 0.854 177.394 176.600 -0.101 0.000 1.032 321 K CA 0.834 57.067 56.287 -0.090 0.000 1.004 321 K CB 0.155 32.625 32.500 -0.049 0.000 0.804 321 K HN 0.442 nan 8.250 nan 0.000 0.496 322 G N 1.801 110.505 108.800 -0.161 0.000 2.137 322 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.237 322 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.237 322 G C -0.230 174.626 174.900 -0.073 0.000 1.002 322 G CA 0.038 45.051 45.100 -0.144 0.000 0.702 322 G HN 0.393 nan 8.290 nan 0.000 0.515 323 Q N -0.144 119.626 119.800 -0.049 0.000 2.230 323 Q HA 0.448 4.788 4.340 -0.000 0.000 0.253 323 Q C 0.317 176.346 176.000 0.049 0.000 0.919 323 Q CA -0.601 55.204 55.803 0.002 0.000 0.908 323 Q CB 1.578 30.319 28.738 0.005 0.000 1.245 323 Q HN 0.527 nan 8.270 nan 0.000 0.437 324 E N 1.573 121.816 120.200 0.071 0.000 2.414 324 E HA 0.053 4.403 4.350 -0.000 0.000 0.263 324 E C -0.819 175.841 176.600 0.101 0.000 1.000 324 E CA 0.133 56.606 56.400 0.121 0.000 0.914 324 E CB 0.655 30.425 29.700 0.117 0.000 0.948 324 E HN 0.622 nan 8.360 nan 0.000 0.444 325 T N 0.504 115.127 114.554 0.114 0.000 2.901 325 T HA 0.474 4.824 4.350 -0.000 0.000 0.293 325 T C -0.565 174.135 174.700 -0.001 0.000 1.084 325 T CA -0.985 61.131 62.100 0.026 0.000 1.008 325 T CB 1.761 70.657 68.868 0.047 0.000 1.170 325 T HN 0.215 nan 8.240 nan 0.000 0.509 326 S N 0.804 116.447 115.700 -0.096 0.000 2.652 326 S HA 0.561 5.031 4.470 -0.000 0.000 0.252 326 S C -1.044 173.496 174.600 -0.099 0.000 1.219 326 S CA -0.510 57.640 58.200 -0.083 0.000 1.151 326 S CB 0.182 63.308 63.200 -0.123 0.000 1.080 326 S HN 0.864 nan 8.310 nan 0.000 0.481 327 T N 4.259 118.809 114.554 -0.006 0.000 2.792 327 T HA 0.362 4.712 4.350 -0.000 0.000 0.280 327 T C -0.159 174.548 174.700 0.011 0.000 0.990 327 T CA -0.704 61.449 62.100 0.088 0.000 0.960 327 T CB 0.965 69.929 68.868 0.161 0.000 0.939 327 T HN 0.547 nan 8.240 nan 0.000 0.439 328 N N 4.611 123.291 118.700 -0.033 0.000 2.438 328 N HA 0.077 4.817 4.740 -0.000 0.000 0.267 328 N C -1.314 174.240 175.510 0.074 0.000 1.222 328 N CA -1.636 51.393 53.050 -0.035 0.000 0.930 328 N CB 1.124 39.565 38.487 -0.077 0.000 1.083 328 N HN 0.352 nan 8.380 nan 0.000 0.476 329 P HA 0.027 nan 4.420 nan 0.000 0.245 329 P C 1.584 179.051 177.300 0.278 0.000 1.203 329 P CA -0.033 63.213 63.100 0.243 0.000 0.792 329 P CB 0.623 32.476 31.700 0.255 0.000 0.997 330 I N 1.686 122.424 120.570 0.281 0.000 2.113 330 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 330 I C 2.526 178.802 176.117 0.264 0.000 1.057 330 I CA 1.858 63.321 61.300 0.272 0.000 1.314 330 I CB -1.891 36.194 38.000 0.142 0.000 1.022 330 I HN -0.027 nan 8.210 nan 0.000 0.408 331 A N 0.197 123.138 122.820 0.202 0.000 1.908 331 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 331 A C 2.559 180.303 177.584 0.267 0.000 1.181 331 A CA 2.316 54.468 52.037 0.192 0.000 0.627 331 A CB -0.828 18.310 19.000 0.229 0.000 0.818 331 A HN 0.478 nan 8.150 nan 0.000 0.445 332 S N -0.400 115.494 115.700 0.323 0.000 2.402 332 S HA -0.046 4.424 4.470 -0.000 0.000 0.229 332 S C 1.743 176.582 174.600 0.399 0.000 1.021 332 S CA 1.294 59.725 58.200 0.385 0.000 0.974 332 S CB -0.412 63.047 63.200 0.431 0.000 0.800 332 S HN 0.553 nan 8.310 nan 0.000 0.484 333 I N 0.103 120.878 120.570 0.342 0.000 2.353 333 I HA -0.110 4.060 4.170 -0.000 0.000 0.248 333 I C 1.599 177.885 176.117 0.282 0.000 1.119 333 I CA 1.099 62.559 61.300 0.268 0.000 1.417 333 I CB -0.239 37.887 38.000 0.210 0.000 1.078 333 I HN 0.204 nan 8.210 nan 0.000 0.421 334 F N 0.952 120.974 119.950 0.121 0.000 2.407 334 F HA -0.053 4.474 4.527 -0.000 0.000 0.299 334 F C 2.473 178.329 175.800 0.093 0.000 1.097 334 F CA 0.852 58.903 58.000 0.085 0.000 1.422 334 F CB -0.704 38.330 39.000 0.056 0.000 1.067 334 F HN -0.012 nan 8.300 nan 0.000 0.539 335 A N -1.096 121.887 122.820 0.272 0.000 1.930 335 A HA -0.174 4.145 4.320 -0.000 0.000 0.217 335 A C 1.952 179.560 177.584 0.040 0.000 1.175 335 A CA 1.229 53.353 52.037 0.144 0.000 0.627 335 A CB -1.181 17.928 19.000 0.181 0.000 0.815 335 A HN 0.492 nan 8.150 nan 0.000 0.443 336 W N 0.679 121.989 121.300 0.016 0.000 2.409 336 W HA -0.101 4.559 4.660 -0.000 0.000 0.299 336 W C 2.924 179.433 176.519 -0.016 0.000 1.203 336 W CA 2.213 59.535 57.345 -0.038 0.000 1.298 336 W CB -0.642 28.728 29.460 -0.150 0.000 1.127 336 W HN 0.477 nan 8.180 nan 0.000 0.528 337 T N -1.337 113.295 114.554 0.131 0.000 2.737 337 T HA -0.159 4.191 4.350 -0.000 0.000 0.265 337 T C 1.814 176.516 174.700 0.004 0.000 1.038 337 T CA 1.218 63.306 62.100 -0.020 0.000 1.144 337 T CB -0.413 68.269 68.868 -0.309 0.000 0.866 337 T HN -0.112 nan 8.240 nan 0.000 0.434 338 R N 1.411 121.922 120.500 0.018 0.000 2.115 338 R HA 0.225 4.565 4.340 -0.000 0.000 0.230 338 R C 2.757 179.100 176.300 0.073 0.000 1.111 338 R CA 1.268 57.396 56.100 0.046 0.000 0.976 338 R CB -1.165 29.177 30.300 0.071 0.000 0.870 338 R HN 0.616 nan 8.270 nan 0.000 0.445 339 G N -0.173 108.665 108.800 0.062 0.000 2.394 339 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 339 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 339 G C 1.321 176.291 174.900 0.117 0.000 1.165 339 G CA 0.348 45.487 45.100 0.065 0.000 0.784 339 G HN 0.218 nan 8.290 nan 0.000 0.535 340 L N 0.649 121.954 121.223 0.136 0.000 2.141 340 L HA 0.023 4.363 4.340 -0.000 0.000 0.209 340 L C 3.317 180.267 176.870 0.134 0.000 1.094 340 L CA 0.801 55.741 54.840 0.167 0.000 0.763 340 L CB -0.258 41.951 42.059 0.250 0.000 0.908 340 L HN 0.304 nan 8.230 nan 0.000 0.437 341 A N -0.818 122.068 122.820 0.111 0.000 1.969 341 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 341 A C 2.071 179.715 177.584 0.101 0.000 1.169 341 A CA 1.608 53.695 52.037 0.084 0.000 0.635 341 A CB -0.629 18.401 19.000 0.049 0.000 0.810 341 A HN 0.464 nan 8.150 nan 0.000 0.445 342 H N -0.332 118.758 119.070 0.034 0.000 2.372 342 H HA -0.023 4.533 4.556 -0.000 0.000 0.301 342 H C 2.154 177.504 175.328 0.037 0.000 1.065 342 H CA 1.784 57.850 56.048 0.029 0.000 1.364 342 H CB -0.092 29.686 29.762 0.026 0.000 1.406 342 H HN 0.362 nan 8.280 nan 0.000 0.521 343 R N 0.646 121.161 120.500 0.024 0.000 2.117 343 R HA -0.079 4.261 4.340 -0.000 0.000 0.243 343 R C 2.216 178.493 176.300 -0.038 0.000 1.143 343 R CA 1.575 57.668 56.100 -0.012 0.000 0.968 343 R CB -0.831 29.508 30.300 0.066 0.000 0.863 343 R HN 0.399 nan 8.270 nan 0.000 0.444 344 A N 0.493 123.311 122.820 -0.004 0.000 1.929 344 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 344 A C 2.105 179.667 177.584 -0.036 0.000 1.176 344 A CA 1.533 53.573 52.037 0.005 0.000 0.628 344 A CB -0.547 18.480 19.000 0.045 0.000 0.816 344 A HN 0.426 nan 8.150 nan 0.000 0.444 345 K N -0.157 120.195 120.400 -0.079 0.000 2.057 345 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 345 K C 1.844 178.366 176.600 -0.131 0.000 1.049 345 K CA 1.386 57.615 56.287 -0.097 0.000 0.931 345 K CB -0.299 32.137 32.500 -0.108 0.000 0.714 345 K HN 0.487 nan 8.250 nan 0.000 0.440 346 L N 0.725 121.819 121.223 -0.215 0.000 2.027 346 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 346 L C 1.674 178.499 176.870 -0.076 0.000 1.074 346 L CA 1.156 55.898 54.840 -0.162 0.000 0.745 346 L CB -0.332 41.606 42.059 -0.201 0.000 0.898 346 L HN 0.164 nan 8.230 nan 0.000 0.433 347 D N -0.717 119.650 120.400 -0.055 0.000 2.355 347 D HA -0.084 4.556 4.640 -0.000 0.000 0.218 347 D C 0.557 176.848 176.300 -0.015 0.000 1.004 347 D CA 0.277 54.263 54.000 -0.022 0.000 0.880 347 D CB -0.109 40.688 40.800 -0.005 0.000 0.911 347 D HN 0.192 nan 8.370 nan 0.000 0.528 348 N N 1.253 119.941 118.700 -0.020 0.000 2.780 348 N HA -0.184 4.556 4.740 -0.000 0.000 0.248 348 N C -0.650 174.863 175.510 0.004 0.000 1.102 348 N CA 0.187 53.232 53.050 -0.008 0.000 0.697 348 N CB -1.390 37.092 38.487 -0.008 0.000 1.028 348 N HN 0.153 nan 8.380 nan 0.000 0.554 349 N N 1.455 120.162 118.700 0.011 0.000 2.439 349 N HA 0.102 4.842 4.740 -0.000 0.000 0.243 349 N C 1.070 176.606 175.510 0.044 0.000 1.088 349 N CA -0.133 52.932 53.050 0.025 0.000 0.940 349 N CB 0.723 39.228 38.487 0.030 0.000 1.180 349 N HN 0.096 nan 8.380 nan 0.000 0.505 350 K N 2.966 123.391 120.400 0.042 0.000 2.062 350 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 350 K C 1.174 177.835 176.600 0.102 0.000 1.051 350 K CA 1.256 57.581 56.287 0.063 0.000 0.941 350 K CB 0.102 32.626 32.500 0.040 0.000 0.719 350 K HN 0.515 nan 8.250 nan 0.000 0.440 351 E N 1.179 121.424 120.200 0.075 0.000 2.058 351 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 351 E C 1.907 178.620 176.600 0.188 0.000 0.997 351 E CA 0.756 57.214 56.400 0.097 0.000 0.801 351 E CB -0.343 29.382 29.700 0.040 0.000 0.746 351 E HN 0.051 nan 8.360 nan 0.000 0.450 352 L N 0.513 121.823 121.223 0.145 0.000 2.046 352 L HA -0.082 4.257 4.340 -0.000 0.000 0.208 352 L C 2.082 179.090 176.870 0.230 0.000 1.077 352 L CA 2.017 56.967 54.840 0.183 0.000 0.747 352 L CB -0.822 41.306 42.059 0.116 0.000 0.896 352 L HN 0.130 nan 8.230 nan 0.000 0.432 353 A N -1.108 121.810 122.820 0.164 0.000 1.933 353 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 353 A C 2.287 179.945 177.584 0.123 0.000 1.175 353 A CA 1.869 53.978 52.037 0.120 0.000 0.628 353 A CB -1.160 17.892 19.000 0.087 0.000 0.814 353 A HN 0.552 nan 8.150 nan 0.000 0.444 354 F N -0.693 119.289 119.950 0.053 0.000 2.146 354 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 354 F C 1.893 177.708 175.800 0.026 0.000 1.096 354 F CA 1.867 59.885 58.000 0.029 0.000 1.275 354 F CB -0.349 38.672 39.000 0.035 0.000 1.008 354 F HN 0.301 nan 8.300 nan 0.000 0.480 355 F N 0.989 121.024 119.950 0.141 0.000 2.102 355 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 355 F C 2.302 178.036 175.800 -0.109 0.000 1.105 355 F CA 1.656 59.669 58.000 0.023 0.000 1.239 355 F CB -1.055 37.984 39.000 0.066 0.000 0.991 355 F HN -0.005 nan 8.300 nan 0.000 0.474 356 A N 0.536 123.296 122.820 -0.100 0.000 1.883 356 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 356 A C 2.307 179.666 177.584 -0.375 0.000 1.186 356 A CA 1.967 53.864 52.037 -0.233 0.000 0.624 356 A CB -1.357 17.629 19.000 -0.024 0.000 0.822 356 A HN 0.632 nan 8.150 nan 0.000 0.444 357 N N 0.295 118.802 118.700 -0.322 0.000 2.188 357 N HA -0.114 4.626 4.740 -0.000 0.000 0.184 357 N C 1.933 177.183 175.510 -0.434 0.000 1.018 357 N CA 1.426 54.271 53.050 -0.343 0.000 0.858 357 N CB -0.246 38.064 38.487 -0.295 0.000 0.989 357 N HN 0.363 nan 8.380 nan 0.000 0.426 358 A N 1.490 123.970 122.820 -0.566 0.000 1.883 358 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 358 A C 2.182 179.486 177.584 -0.465 0.000 1.186 358 A CA 1.070 52.784 52.037 -0.539 0.000 0.624 358 A CB -0.817 17.846 19.000 -0.562 0.000 0.822 358 A HN 0.373 nan 8.150 nan 0.000 0.444 359 L N 0.043 120.901 121.223 -0.608 0.000 2.093 359 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 359 L C 2.082 178.707 176.870 -0.407 0.000 1.085 359 L CA 2.252 56.769 54.840 -0.539 0.000 0.755 359 L CB -0.747 40.891 42.059 -0.700 0.000 0.904 359 L HN 0.526 nan 8.230 nan 0.000 0.435 360 E N -0.320 119.596 120.200 -0.473 0.000 2.072 360 E HA -0.244 4.106 4.350 -0.000 0.000 0.191 360 E C 1.929 178.461 176.600 -0.112 0.000 0.985 360 E CA 1.470 57.597 56.400 -0.454 0.000 0.801 360 E CB -0.064 29.304 29.700 -0.553 0.000 0.750 360 E HN 0.758 nan 8.360 nan 0.000 0.452 361 E N 0.459 120.572 120.200 -0.146 0.000 2.208 361 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 361 E C 2.105 178.675 176.600 -0.051 0.000 0.988 361 E CA 0.806 57.166 56.400 -0.067 0.000 0.828 361 E CB -0.103 29.536 29.700 -0.102 0.000 0.763 361 E HN 0.037 nan 8.360 nan 0.000 0.478 362 V N 1.593 121.443 119.914 -0.107 0.000 2.427 362 V HA -0.242 3.877 4.120 -0.000 0.000 0.248 362 V C 2.339 178.414 176.094 -0.031 0.000 1.051 362 V CA 1.991 64.236 62.300 -0.092 0.000 1.048 362 V CB -0.328 31.401 31.823 -0.158 0.000 0.666 362 V HN 0.292 nan 8.190 nan 0.000 0.456 363 S N 0.027 115.732 115.700 0.010 0.000 2.356 363 S HA -0.121 4.348 4.470 -0.000 0.000 0.223 363 S C 1.878 176.584 174.600 0.177 0.000 1.032 363 S CA 1.704 59.978 58.200 0.123 0.000 1.005 363 S CB -0.301 63.072 63.200 0.288 0.000 0.867 363 S HN 0.508 nan 8.310 nan 0.000 0.449 364 I N 1.346 122.013 120.570 0.162 0.000 2.252 364 I HA -0.157 4.013 4.170 -0.000 0.000 0.245 364 I C 2.536 178.721 176.117 0.112 0.000 1.102 364 I CA 1.164 62.546 61.300 0.137 0.000 1.385 364 I CB -0.373 37.698 38.000 0.119 0.000 1.064 364 I HN 0.306 nan 8.210 nan 0.000 0.414 365 E N 0.358 120.606 120.200 0.081 0.000 2.077 365 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 365 E C 2.121 178.790 176.600 0.116 0.000 0.989 365 E CA 1.900 58.344 56.400 0.073 0.000 0.800 365 E CB -0.076 29.643 29.700 0.031 0.000 0.746 365 E HN 0.441 nan 8.360 nan 0.000 0.452 366 T N 1.198 115.823 114.554 0.120 0.000 2.652 366 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 366 T C 1.960 176.862 174.700 0.338 0.000 1.039 366 T CA 1.107 63.317 62.100 0.184 0.000 1.153 366 T CB -0.223 68.702 68.868 0.095 0.000 0.863 366 T HN 0.120 nan 8.240 nan 0.000 0.428 367 I N 0.996 121.751 120.570 0.308 0.000 2.226 367 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 367 I C 2.561 178.783 176.117 0.175 0.000 1.100 367 I CA 1.395 62.854 61.300 0.264 0.000 1.374 367 I CB -0.454 37.663 38.000 0.196 0.000 1.057 367 I HN 0.334 nan 8.210 nan 0.000 0.413 368 E N 0.952 121.240 120.200 0.145 0.000 2.268 368 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 368 E C 2.101 178.767 176.600 0.110 0.000 0.995 368 E CA 0.968 57.430 56.400 0.103 0.000 0.836 368 E CB -0.096 29.655 29.700 0.084 0.000 0.763 368 E HN 0.504 nan 8.360 nan 0.000 0.491 369 A N 0.304 123.231 122.820 0.178 0.000 2.206 369 A HA 0.212 4.532 4.320 -0.000 0.000 0.211 369 A C 1.757 179.411 177.584 0.118 0.000 1.158 369 A CA 0.941 53.106 52.037 0.213 0.000 0.761 369 A CB -0.063 19.146 19.000 0.348 0.000 0.801 369 A HN 0.344 nan 8.150 nan 0.000 0.473 370 G N -2.402 106.432 108.800 0.056 0.000 2.192 370 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.193 370 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.193 370 G C -0.156 174.546 174.900 -0.329 0.000 0.999 370 G CA -0.145 44.844 45.100 -0.186 0.000 0.659 370 G HN 0.345 nan 8.290 nan 0.000 0.503 371 F N 1.947 121.975 119.950 0.130 0.000 2.361 371 F HA 0.809 5.336 4.527 -0.000 0.000 0.364 371 F C 0.740 176.688 175.800 0.247 0.000 1.117 371 F CA -0.610 57.506 58.000 0.193 0.000 1.071 371 F CB 1.153 40.286 39.000 0.222 0.000 1.188 371 F HN 0.281 nan 8.300 nan 0.000 0.464 372 M N 0.288 120.001 119.600 0.188 0.000 2.683 372 M HA 0.678 5.158 4.480 -0.000 0.000 0.274 372 M C -0.776 175.375 176.300 -0.248 0.000 1.272 372 M CA -0.946 54.257 55.300 -0.161 0.000 0.833 372 M CB 2.199 34.742 32.600 -0.094 0.000 1.708 372 M HN 0.355 nan 8.290 nan 0.000 0.463 373 T N -1.848 112.406 114.554 -0.501 0.000 2.849 373 T HA 0.295 4.645 4.350 -0.000 0.000 0.284 373 T C 0.764 175.322 174.700 -0.237 0.000 1.004 373 T CA -0.597 61.319 62.100 -0.307 0.000 1.021 373 T CB 1.702 70.349 68.868 -0.368 0.000 1.013 373 T HN 0.930 nan 8.240 nan 0.000 0.527 374 K N 0.722 120.867 120.400 -0.424 0.000 2.113 374 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 374 K C 1.838 178.230 176.600 -0.347 0.000 1.047 374 K CA 2.150 58.017 56.287 -0.701 0.000 0.928 374 K CB -0.382 31.388 32.500 -1.217 0.000 0.716 374 K HN 0.816 nan 8.250 nan 0.000 0.446 375 D N 0.845 121.099 120.400 -0.244 0.000 2.123 375 D HA -0.235 4.405 4.640 -0.000 0.000 0.196 375 D C 2.008 178.240 176.300 -0.114 0.000 0.992 375 D CA 1.276 55.188 54.000 -0.146 0.000 0.833 375 D CB -0.587 40.152 40.800 -0.102 0.000 0.954 375 D HN 0.338 nan 8.370 nan 0.000 0.455 376 L N 0.369 121.520 121.223 -0.120 0.000 2.156 376 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 376 L C 2.854 179.690 176.870 -0.057 0.000 1.095 376 L CA 0.865 55.657 54.840 -0.080 0.000 0.770 376 L CB -0.470 41.537 42.059 -0.088 0.000 0.914 376 L HN 0.060 nan 8.230 nan 0.000 0.439 377 A N 0.383 123.165 122.820 -0.063 0.000 1.930 377 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 377 A C 2.499 180.068 177.584 -0.024 0.000 1.175 377 A CA 1.504 53.531 52.037 -0.017 0.000 0.627 377 A CB -0.504 18.526 19.000 0.050 0.000 0.815 377 A HN 0.368 nan 8.150 nan 0.000 0.443 378 A N -1.322 121.465 122.820 -0.055 0.000 2.121 378 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 378 A C 2.130 179.692 177.584 -0.036 0.000 1.154 378 A CA 1.430 53.439 52.037 -0.047 0.000 0.679 378 A CB -1.016 17.943 19.000 -0.069 0.000 0.795 378 A HN 0.589 nan 8.150 nan 0.000 0.458 379 C N -0.901 118.377 119.300 -0.035 0.000 2.466 379 C HA 0.046 4.506 4.460 -0.000 0.000 0.278 379 C C 2.507 177.485 174.990 -0.021 0.000 1.288 379 C CA 0.690 59.692 59.018 -0.027 0.000 1.722 379 C CB -1.109 26.619 27.740 -0.020 0.000 2.017 379 C HN 0.639 nan 8.230 nan 0.000 0.488 380 I N 0.321 120.881 120.570 -0.017 0.000 2.162 380 I HA -0.072 4.097 4.170 -0.000 0.000 0.238 380 I C 1.223 177.332 176.117 -0.013 0.000 1.076 380 I CA 1.268 62.561 61.300 -0.012 0.000 1.353 380 I CB -0.368 37.626 38.000 -0.009 0.000 1.063 380 I HN 0.272 nan 8.210 nan 0.000 0.408 381 K N 1.323 121.717 120.400 -0.010 0.000 2.148 381 K HA 0.378 4.698 4.320 -0.000 0.000 0.239 381 K C 0.034 176.627 176.600 -0.012 0.000 1.018 381 K CA -0.389 55.893 56.287 -0.007 0.000 0.923 381 K CB 0.312 32.813 32.500 0.002 0.000 1.117 381 K HN 0.098 nan 8.250 nan 0.000 0.477 382 G N 0.440 109.232 108.800 -0.012 0.000 2.507 382 G HA2 0.124 4.084 3.960 -0.000 0.000 0.271 382 G HA3 0.124 4.084 3.960 -0.000 0.000 0.271 382 G C 0.895 175.786 174.900 -0.015 0.000 1.189 382 G CA -0.607 44.483 45.100 -0.017 0.000 0.859 382 G HN 0.464 nan 8.290 nan 0.000 0.542 383 L N 1.611 122.821 121.223 -0.021 0.000 2.043 383 L HA -0.024 4.316 4.340 -0.000 0.000 0.212 383 L C -0.242 176.621 176.870 -0.011 0.000 1.075 383 L CA 2.072 56.898 54.840 -0.023 0.000 0.752 383 L CB -1.445 40.597 42.059 -0.029 0.000 0.891 383 L HN 0.300 nan 8.230 nan 0.000 0.432 384 P HA -0.069 nan 4.420 nan 0.000 0.222 384 P C 0.505 177.807 177.300 0.002 0.000 1.147 384 P CA 1.309 64.407 63.100 -0.004 0.000 0.790 384 P CB -0.003 31.693 31.700 -0.007 0.000 0.780 385 N N -1.993 116.709 118.700 0.003 0.000 2.236 385 N HA 0.056 4.796 4.740 -0.000 0.000 0.196 385 N C -0.397 175.125 175.510 0.020 0.000 1.114 385 N CA -0.036 53.019 53.050 0.007 0.000 0.859 385 N CB 0.137 38.625 38.487 0.001 0.000 0.982 385 N HN -0.095 nan 8.380 nan 0.000 0.493 386 V N 1.906 121.839 119.914 0.031 0.000 2.572 386 V HA 0.035 4.155 4.120 -0.000 0.000 0.291 386 V C 0.304 176.454 176.094 0.094 0.000 1.039 386 V CA 0.101 62.443 62.300 0.069 0.000 1.055 386 V CB 0.716 32.585 31.823 0.077 0.000 0.969 386 V HN 0.262 nan 8.190 nan 0.000 0.482 387 Q N 3.002 122.853 119.800 0.084 0.000 2.297 387 Q HA 0.434 4.773 4.340 -0.000 0.000 0.268 387 Q C 0.851 176.845 176.000 -0.009 0.000 1.045 387 Q CA -0.999 54.827 55.803 0.039 0.000 0.861 387 Q CB 1.681 30.417 28.738 -0.003 0.000 1.344 387 Q HN 0.507 nan 8.270 nan 0.000 0.452 388 R N 1.214 121.654 120.500 -0.100 0.000 2.096 388 R HA -0.177 4.163 4.340 -0.000 0.000 0.240 388 R C 1.879 177.891 176.300 -0.480 0.000 1.139 388 R CA 2.568 58.434 56.100 -0.390 0.000 0.952 388 R CB -0.864 29.294 30.300 -0.237 0.000 0.854 388 R HN 0.774 nan 8.270 nan 0.000 0.436 389 S N -0.330 115.234 115.700 -0.227 0.000 2.493 389 S HA -0.113 4.357 4.470 -0.000 0.000 0.243 389 S C 1.006 175.516 174.600 -0.150 0.000 0.991 389 S CA 1.337 59.438 58.200 -0.165 0.000 0.957 389 S CB -0.267 62.879 63.200 -0.090 0.000 0.756 389 S HN 0.343 nan 8.310 nan 0.000 0.521 390 D N 0.422 120.739 120.400 -0.139 0.000 2.323 390 D HA 0.185 4.825 4.640 -0.000 0.000 0.209 390 D C 0.404 176.732 176.300 0.048 0.000 0.973 390 D CA 0.628 54.615 54.000 -0.021 0.000 0.874 390 D CB 0.073 40.920 40.800 0.078 0.000 0.930 390 D HN 0.805 nan 8.370 nan 0.000 0.521 391 Y N -1.933 118.354 120.300 -0.022 0.000 2.655 391 Y HA 0.569 5.119 4.550 -0.000 0.000 0.336 391 Y C -1.294 174.622 175.900 0.027 0.000 1.154 391 Y CA -1.473 56.617 58.100 -0.016 0.000 1.055 391 Y CB 0.720 39.154 38.460 -0.045 0.000 1.295 391 Y HN -0.361 nan 8.280 nan 0.000 0.465 392 L N 2.801 124.183 121.223 0.266 0.000 2.344 392 L HA 0.458 4.798 4.340 -0.000 0.000 0.272 392 L C 0.063 177.119 176.870 0.311 0.000 1.035 392 L CA -1.028 53.955 54.840 0.238 0.000 0.807 392 L CB 1.683 43.930 42.059 0.312 0.000 1.237 392 L HN 0.923 nan 8.230 nan 0.000 0.442 393 N N -0.526 118.320 118.700 0.244 0.000 2.408 393 N HA 0.120 4.860 4.740 -0.000 0.000 0.260 393 N C 0.374 175.972 175.510 0.147 0.000 1.242 393 N CA -0.560 52.614 53.050 0.207 0.000 0.959 393 N CB 1.045 39.653 38.487 0.201 0.000 1.201 393 N HN 0.503 nan 8.380 nan 0.000 0.511 394 T N 0.634 115.187 114.554 -0.002 0.000 2.620 394 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 394 T C 1.340 176.000 174.700 -0.067 0.000 1.044 394 T CA 1.758 63.801 62.100 -0.095 0.000 1.161 394 T CB -0.618 68.043 68.868 -0.344 0.000 0.862 394 T HN 0.501 nan 8.240 nan 0.000 0.438 395 F N 1.422 121.475 119.950 0.171 0.000 2.216 395 F HA -0.031 4.496 4.527 -0.000 0.000 0.300 395 F C 2.569 178.443 175.800 0.124 0.000 1.085 395 F CA 0.867 58.946 58.000 0.132 0.000 1.326 395 F CB -0.448 38.620 39.000 0.114 0.000 1.027 395 F HN 0.247 nan 8.300 nan 0.000 0.497 396 E N -0.211 120.169 120.200 0.301 0.000 2.072 396 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 396 E C 1.964 178.703 176.600 0.232 0.000 0.985 396 E CA 1.131 57.672 56.400 0.235 0.000 0.801 396 E CB -0.394 29.440 29.700 0.222 0.000 0.750 396 E HN 0.350 nan 8.360 nan 0.000 0.452 397 F N 1.446 121.463 119.950 0.111 0.000 2.134 397 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 397 F C 2.141 177.981 175.800 0.067 0.000 1.097 397 F CA 1.272 59.330 58.000 0.096 0.000 1.264 397 F CB -0.052 39.002 39.000 0.091 0.000 1.001 397 F HN -0.046 nan 8.300 nan 0.000 0.479 398 M N -0.155 119.445 119.600 -0.001 0.000 2.159 398 M HA -0.201 4.279 4.480 -0.000 0.000 0.263 398 M C 1.914 178.154 176.300 -0.100 0.000 1.063 398 M CA 1.782 57.022 55.300 -0.100 0.000 1.110 398 M CB -1.389 31.231 32.600 0.033 0.000 1.374 398 M HN 0.190 nan 8.290 nan 0.000 0.411 399 D N 0.186 120.578 120.400 -0.013 0.000 2.144 399 D HA -0.174 4.466 4.640 -0.000 0.000 0.200 399 D C 1.930 178.180 176.300 -0.083 0.000 0.978 399 D CA 1.174 55.163 54.000 -0.018 0.000 0.833 399 D CB 0.174 40.996 40.800 0.036 0.000 0.961 399 D HN 0.055 nan 8.370 nan 0.000 0.470 400 K N 0.007 120.331 120.400 -0.126 0.000 2.057 400 K HA -0.010 4.310 4.320 -0.000 0.000 0.206 400 K C 2.073 178.517 176.600 -0.260 0.000 1.050 400 K CA 0.988 57.152 56.287 -0.205 0.000 0.935 400 K CB -0.404 31.970 32.500 -0.210 0.000 0.715 400 K HN 0.209 nan 8.250 nan 0.000 0.439 401 L N -0.545 120.472 121.223 -0.343 0.000 2.046 401 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 401 L C 2.429 179.187 176.870 -0.187 0.000 1.077 401 L CA 1.447 56.099 54.840 -0.314 0.000 0.747 401 L CB -0.973 40.842 42.059 -0.407 0.000 0.896 401 L HN 0.444 nan 8.230 nan 0.000 0.432 402 G N -0.530 108.186 108.800 -0.141 0.000 2.442 402 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 402 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 402 G C 1.510 176.391 174.900 -0.033 0.000 1.141 402 G CA 0.463 45.529 45.100 -0.056 0.000 0.763 402 G HN 0.267 nan 8.290 nan 0.000 0.554 403 E N 0.688 120.848 120.200 -0.068 0.000 2.076 403 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 403 E C 2.350 178.907 176.600 -0.072 0.000 0.979 403 E CA 0.458 56.825 56.400 -0.055 0.000 0.807 403 E CB -0.484 29.170 29.700 -0.075 0.000 0.761 403 E HN 0.553 nan 8.360 nan 0.000 0.454 404 N N 0.657 119.288 118.700 -0.116 0.000 2.166 404 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 404 N C 1.882 177.330 175.510 -0.104 0.000 1.019 404 N CA 0.526 53.507 53.050 -0.115 0.000 0.856 404 N CB -0.043 38.358 38.487 -0.143 0.000 0.993 404 N HN -0.011 nan 8.380 nan 0.000 0.426 405 L N 1.992 123.145 121.223 -0.117 0.000 2.056 405 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 405 L C 2.130 178.917 176.870 -0.138 0.000 1.078 405 L CA 1.717 56.462 54.840 -0.157 0.000 0.749 405 L CB -0.490 41.461 42.059 -0.180 0.000 0.901 405 L HN -0.021 nan 8.230 nan 0.000 0.433 406 K N -0.555 119.820 120.400 -0.042 0.000 2.063 406 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 406 K C 1.994 178.598 176.600 0.006 0.000 1.048 406 K CA 1.730 58.041 56.287 0.040 0.000 0.928 406 K CB -0.079 32.480 32.500 0.098 0.000 0.713 406 K HN 0.301 nan 8.250 nan 0.000 0.442 407 I N 1.781 122.341 120.570 -0.017 0.000 2.113 407 I HA -0.279 3.890 4.170 -0.000 0.000 0.238 407 I C 2.426 178.534 176.117 -0.014 0.000 1.070 407 I CA 1.561 62.853 61.300 -0.014 0.000 1.332 407 I CB -1.210 36.774 38.000 -0.027 0.000 1.044 407 I HN 0.276 nan 8.210 nan 0.000 0.402 408 K N 1.003 121.381 120.400 -0.036 0.000 2.113 408 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 408 K C 2.161 178.769 176.600 0.014 0.000 1.047 408 K CA 1.360 57.634 56.287 -0.022 0.000 0.928 408 K CB -0.133 32.329 32.500 -0.063 0.000 0.716 408 K HN 0.268 nan 8.250 nan 0.000 0.446 409 L N -0.032 121.180 121.223 -0.019 0.000 2.217 409 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 409 L C 2.492 179.387 176.870 0.041 0.000 1.107 409 L CA 0.755 55.607 54.840 0.020 0.000 0.783 409 L CB -0.390 41.612 42.059 -0.094 0.000 0.919 409 L HN 0.299 nan 8.230 nan 0.000 0.442 410 A N -0.198 122.642 122.820 0.032 0.000 1.929 410 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 410 A C 2.184 179.784 177.584 0.025 0.000 1.176 410 A CA 1.001 53.059 52.037 0.035 0.000 0.628 410 A CB -0.241 18.779 19.000 0.034 0.000 0.816 410 A HN 0.442 nan 8.150 nan 0.000 0.444 411 Q N -0.528 119.288 119.800 0.026 0.000 2.245 411 Q HA 0.086 4.426 4.340 -0.000 0.000 0.201 411 Q C 2.108 178.127 176.000 0.030 0.000 0.955 411 Q CA 0.870 56.688 55.803 0.025 0.000 0.870 411 Q CB -0.302 28.452 28.738 0.026 0.000 0.945 411 Q HN 0.638 nan 8.270 nan 0.000 0.461 412 A N 0.944 123.795 122.820 0.051 0.000 2.172 412 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 412 A C 1.641 179.190 177.584 -0.059 0.000 1.154 412 A CA 1.127 53.190 52.037 0.043 0.000 0.701 412 A CB 0.047 19.141 19.000 0.158 0.000 0.789 412 A HN 0.148 nan 8.150 nan 0.000 0.465 413 K N -1.223 119.160 120.400 -0.027 0.000 2.378 413 K HA 0.337 4.657 4.320 -0.000 0.000 0.222 413 K C 0.372 176.958 176.600 -0.024 0.000 1.178 413 K CA -0.267 55.996 56.287 -0.040 0.000 0.827 413 K CB -0.162 32.325 32.500 -0.021 0.000 1.412 413 K HN 0.330 nan 8.250 nan 0.000 0.443 414 L N 0.000 121.219 121.223 -0.007 0.000 2.949 414 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 414 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 414 L CB 0.000 42.061 42.059 0.004 0.000 0.961 414 L HN 0.000 nan 8.230 nan 0.000 0.502