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 1xxh_1_G DATA FIRST_RESID 5 DATA SEQUENCE VLARKWRPQT FADVVGQEHV LTALANGLSL GRIHHAYLFS GTRGVGKTSI DATA SEQUENCE ARLLAKGLNC ETGITATPCG VCDNCREIEQ GRFVDLIEID AASRTKVEDT DATA SEQUENCE RDLLDNVQYA PARGRFKVYL IDEVHMLSRH SFNALLKTLE EPPEHVKFLL DATA SEQUENCE ATTDPQKLPV TILSRCLQFH LKALDVEQIR HQLEHILNEE HIAHEPRALQ DATA SEQUENCE LLARAAEGSL RDALSLTDQA IASGDGQVST QAVSAMLGTL DDDQALSLVE DATA SEQUENCE AMVEANGERV MALINEAAAR GIEWEALLVE MLGLLHRIAM VQLSPAALGN DATA SEQUENCE DMAAIELRMR ELARTIPPTD IQLYYQTLLI GRKELPYAPD RRMGVEMTLL DATA SEQUENCE RALAFHPRMP LPEP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.132 176.094 0.063 0.000 1.182 5 V CA 0.000 62.317 62.300 0.029 0.000 1.235 5 V CB 0.000 31.839 31.823 0.026 0.000 1.184 6 L N 0.557 121.837 121.223 0.095 0.000 2.042 6 L HA -0.048 4.292 4.340 0.000 0.000 0.210 6 L C 2.887 179.883 176.870 0.209 0.000 1.076 6 L CA 2.456 57.411 54.840 0.191 0.000 0.749 6 L CB -0.753 41.378 42.059 0.120 0.000 0.893 6 L HN 1.007 nan 8.230 nan 0.000 0.432 7 A N -0.084 122.802 122.820 0.111 0.000 1.972 7 A HA -0.214 4.106 4.320 0.000 0.000 0.219 7 A C 2.386 180.020 177.584 0.084 0.000 1.169 7 A CA 1.680 53.772 52.037 0.091 0.000 0.635 7 A CB -0.377 18.651 19.000 0.045 0.000 0.810 7 A HN 0.261 nan 8.150 nan 0.000 0.446 8 R N 0.142 120.674 120.500 0.054 0.000 2.112 8 R HA 0.058 4.398 4.340 0.000 0.000 0.216 8 R C 1.986 178.270 176.300 -0.026 0.000 1.080 8 R CA 1.733 57.840 56.100 0.011 0.000 0.996 8 R CB -0.416 29.880 30.300 -0.007 0.000 0.902 8 R HN 0.508 nan 8.270 nan 0.000 0.449 9 K N -1.422 118.947 120.400 -0.051 0.000 2.432 9 K HA -0.073 4.247 4.320 0.000 0.000 0.196 9 K C -0.088 176.273 176.600 -0.398 0.000 1.038 9 K CA 0.759 56.904 56.287 -0.236 0.000 0.986 9 K CB 0.077 32.403 32.500 -0.290 0.000 0.782 9 K HN 0.176 nan 8.250 nan 0.000 0.485 10 W N 1.812 123.105 121.300 -0.011 0.000 2.159 10 W HA 0.250 4.910 4.660 0.000 0.000 0.375 10 W C -0.399 176.114 176.519 -0.010 0.000 0.794 10 W CA -1.072 56.276 57.345 0.005 0.000 2.716 10 W CB 0.634 30.111 29.460 0.028 0.000 1.583 10 W HN -0.138 nan 8.180 nan 0.000 0.702 11 R N 1.919 122.475 120.500 0.094 0.000 2.296 11 R HA 0.240 4.580 4.340 0.000 0.000 0.323 11 R C -2.372 173.946 176.300 0.031 0.000 1.067 11 R CA -1.557 54.567 56.100 0.040 0.000 0.946 11 R CB 0.073 30.365 30.300 -0.012 0.000 0.991 11 R HN -0.175 nan 8.270 nan 0.000 0.448 12 P HA -0.063 nan 4.420 nan 0.000 0.255 12 P C -0.512 176.778 177.300 -0.017 0.000 1.173 12 P CA 0.476 63.579 63.100 0.006 0.000 0.780 12 P CB 0.689 32.357 31.700 -0.053 0.000 0.758 13 Q N 1.828 121.637 119.800 0.015 0.000 2.451 13 Q HA 0.029 4.369 4.340 0.000 0.000 0.206 13 Q C 0.375 176.395 176.000 0.033 0.000 0.947 13 Q CA 0.733 56.539 55.803 0.004 0.000 0.937 13 Q CB 0.153 28.891 28.738 -0.000 0.000 1.025 13 Q HN 0.545 nan 8.270 nan 0.000 0.511 14 T N -5.647 108.940 114.554 0.056 0.000 2.885 14 T HA 0.290 4.640 4.350 0.000 0.000 0.322 14 T C 0.202 174.999 174.700 0.162 0.000 1.387 14 T CA -0.783 61.399 62.100 0.138 0.000 1.041 14 T CB -0.233 68.700 68.868 0.108 0.000 1.287 14 T HN -0.002 nan 8.240 nan 0.000 0.491 15 F N 0.848 120.766 119.950 -0.052 0.000 2.287 15 F HA -0.004 4.523 4.527 0.000 0.000 0.301 15 F C 2.813 178.581 175.800 -0.054 0.000 1.069 15 F CA 1.054 59.014 58.000 -0.067 0.000 1.372 15 F CB -0.201 38.756 39.000 -0.070 0.000 1.056 15 F HN 0.818 nan 8.300 nan 0.000 0.523 16 A N -0.367 122.543 122.820 0.151 0.000 1.968 16 A HA -0.141 4.179 4.320 0.000 0.000 0.217 16 A C 1.862 179.467 177.584 0.034 0.000 1.169 16 A CA 1.475 53.556 52.037 0.073 0.000 0.638 16 A CB -0.480 18.557 19.000 0.062 0.000 0.812 16 A HN 0.221 nan 8.150 nan 0.000 0.446 17 D N -0.006 120.418 120.400 0.041 0.000 2.264 17 D HA -0.015 4.625 4.640 0.000 0.000 0.208 17 D C 0.542 176.828 176.300 -0.024 0.000 0.966 17 D CA 0.523 54.541 54.000 0.029 0.000 0.864 17 D CB -0.194 40.645 40.800 0.065 0.000 0.933 17 D HN 0.200 nan 8.370 nan 0.000 0.499 18 V N 1.713 121.593 119.914 -0.056 0.000 2.637 18 V HA 0.010 4.130 4.120 0.000 0.000 0.296 18 V C 0.661 176.701 176.094 -0.090 0.000 1.046 18 V CA -0.291 61.949 62.300 -0.100 0.000 1.066 18 V CB 1.774 33.497 31.823 -0.166 0.000 0.968 18 V HN -0.196 nan 8.190 nan 0.000 0.483 19 V N 3.918 123.774 119.914 -0.096 0.000 2.432 19 V HA 0.500 4.620 4.120 0.000 0.000 0.275 19 V C 1.138 177.187 176.094 -0.075 0.000 1.043 19 V CA 0.205 62.447 62.300 -0.096 0.000 0.925 19 V CB 0.843 32.605 31.823 -0.101 0.000 0.985 19 V HN 1.235 nan 8.190 nan 0.000 0.466 20 G N 4.744 113.506 108.800 -0.062 0.000 2.332 20 G HA2 -0.224 3.736 3.960 0.000 0.000 0.277 20 G HA3 -0.224 3.736 3.960 0.000 0.000 0.277 20 G C 0.327 175.239 174.900 0.019 0.000 0.884 20 G CA 0.275 45.361 45.100 -0.023 0.000 1.251 20 G HN 0.700 nan 8.290 nan 0.000 0.462 21 Q N -0.537 119.264 119.800 0.002 0.000 2.139 21 Q HA 0.199 4.539 4.340 0.000 0.000 0.301 21 Q C 1.396 177.355 176.000 -0.068 0.000 0.874 21 Q CA -0.136 55.660 55.803 -0.012 0.000 1.116 21 Q CB 0.477 29.150 28.738 -0.107 0.000 1.278 21 Q HN 0.651 nan 8.270 nan 0.000 0.426 22 E N 0.906 121.152 120.200 0.076 0.000 2.045 22 E HA -0.264 4.086 4.350 0.000 0.000 0.212 22 E C 1.685 178.325 176.600 0.068 0.000 1.039 22 E CA 2.289 58.738 56.400 0.081 0.000 0.860 22 E CB -0.409 29.356 29.700 0.109 0.000 0.776 22 E HN 0.553 nan 8.360 nan 0.000 0.467 23 H N -0.089 118.998 119.070 0.029 0.000 2.492 23 H HA -0.078 4.478 4.556 0.000 0.000 0.296 23 H C 1.884 177.242 175.328 0.050 0.000 1.095 23 H CA 1.550 57.631 56.048 0.054 0.000 1.281 23 H CB -0.788 29.019 29.762 0.075 0.000 1.374 23 H HN 0.125 nan 8.280 nan 0.000 0.545 24 V N 1.231 120.795 119.914 -0.583 0.000 2.426 24 V HA -0.106 4.014 4.120 0.000 0.000 0.242 24 V C 2.937 178.800 176.094 -0.384 0.000 1.036 24 V CA 0.999 62.962 62.300 -0.563 0.000 1.044 24 V CB -0.377 31.114 31.823 -0.554 0.000 0.688 24 V HN 0.243 nan 8.190 nan 0.000 0.462 25 L N -0.183 120.926 121.223 -0.190 0.000 2.395 25 L HA -0.056 4.284 4.340 0.000 0.000 0.218 25 L C 2.398 179.287 176.870 0.032 0.000 1.130 25 L CA 1.075 55.913 54.840 -0.003 0.000 0.826 25 L CB -0.781 41.313 42.059 0.059 0.000 0.941 25 L HN 0.343 nan 8.230 nan 0.000 0.451 26 T N -0.119 114.435 114.554 -0.001 0.000 2.851 26 T HA -0.012 4.338 4.350 0.000 0.000 0.262 26 T C 2.090 176.813 174.700 0.039 0.000 1.043 26 T CA 1.142 63.259 62.100 0.028 0.000 1.140 26 T CB 0.019 68.916 68.868 0.048 0.000 0.872 26 T HN 0.402 nan 8.240 nan 0.000 0.446 27 A N 1.239 124.087 122.820 0.046 0.000 1.872 27 A HA 0.141 4.461 4.320 0.000 0.000 0.214 27 A C 2.271 179.926 177.584 0.118 0.000 1.187 27 A CA 0.921 53.029 52.037 0.118 0.000 0.614 27 A CB -0.863 18.290 19.000 0.255 0.000 0.826 27 A HN 0.420 nan 8.150 nan 0.000 0.442 28 L N -0.746 120.500 121.223 0.038 0.000 2.131 28 L HA -0.208 4.132 4.340 0.000 0.000 0.210 28 L C 2.986 179.889 176.870 0.054 0.000 1.092 28 L CA 1.050 55.953 54.840 0.104 0.000 0.759 28 L CB -0.340 41.794 42.059 0.126 0.000 0.903 28 L HN 0.476 nan 8.230 nan 0.000 0.435 29 A N -0.649 122.168 122.820 -0.006 0.000 1.970 29 A HA -0.167 4.153 4.320 0.000 0.000 0.216 29 A C 2.066 179.624 177.584 -0.043 0.000 1.170 29 A CA 1.283 53.252 52.037 -0.112 0.000 0.645 29 A CB -0.439 18.495 19.000 -0.109 0.000 0.816 29 A HN 0.384 nan 8.150 nan 0.000 0.447 30 N N 0.260 118.970 118.700 0.017 0.000 2.331 30 N HA -0.071 4.669 4.740 0.000 0.000 0.180 30 N C 1.708 177.255 175.510 0.062 0.000 1.019 30 N CA 1.379 54.451 53.050 0.037 0.000 0.881 30 N CB -0.272 38.249 38.487 0.056 0.000 0.972 30 N HN 0.396 nan 8.380 nan 0.000 0.435 31 G N 0.155 109.014 108.800 0.097 0.000 2.492 31 G HA2 -0.001 3.960 3.960 0.000 0.000 0.214 31 G HA3 -0.001 3.960 3.960 0.000 0.000 0.214 31 G C 1.709 176.676 174.900 0.111 0.000 1.147 31 G CA -0.040 45.144 45.100 0.139 0.000 0.809 31 G HN 0.237 nan 8.290 nan 0.000 0.533 32 L N 1.519 122.779 121.223 0.062 0.000 2.109 32 L HA -0.027 4.313 4.340 0.000 0.000 0.207 32 L C 3.033 179.910 176.870 0.011 0.000 1.086 32 L CA 1.414 56.270 54.840 0.027 0.000 0.760 32 L CB -0.089 41.937 42.059 -0.055 0.000 0.910 32 L HN 0.350 nan 8.230 nan 0.000 0.437 33 S N -1.074 114.620 115.700 -0.009 0.000 2.496 33 S HA 0.054 4.524 4.470 0.000 0.000 0.224 33 S C 1.524 176.135 174.600 0.017 0.000 0.996 33 S CA 0.236 58.431 58.200 -0.008 0.000 0.927 33 S CB -0.029 63.154 63.200 -0.030 0.000 0.774 33 S HN 0.337 nan 8.310 nan 0.000 0.524 34 L N 1.185 122.428 121.223 0.034 0.000 2.769 34 L HA 0.361 4.701 4.340 0.000 0.000 0.240 34 L C 1.490 178.393 176.870 0.054 0.000 1.163 34 L CA 0.162 55.027 54.840 0.041 0.000 0.962 34 L CB -0.279 41.807 42.059 0.045 0.000 1.258 34 L HN 0.526 nan 8.230 nan 0.000 0.513 35 G N 1.533 110.372 108.800 0.065 0.000 2.258 35 G HA2 -0.350 3.610 3.960 0.000 0.000 0.274 35 G HA3 -0.350 3.610 3.960 0.000 0.000 0.274 35 G C 0.546 175.498 174.900 0.086 0.000 1.021 35 G CA 0.300 45.450 45.100 0.083 0.000 0.798 35 G HN 0.444 nan 8.290 nan 0.000 0.507 36 R N 0.469 121.024 120.500 0.092 0.000 3.070 36 R HA 0.372 4.712 4.340 0.000 0.000 0.252 36 R C 0.316 176.692 176.300 0.127 0.000 1.370 36 R CA -0.768 55.375 56.100 0.071 0.000 1.482 36 R CB -0.209 30.133 30.300 0.070 0.000 1.220 36 R HN 0.184 nan 8.270 nan 0.000 0.622 37 I N 3.457 124.097 120.570 0.116 0.000 2.371 37 I HA 0.176 4.346 4.170 0.000 0.000 0.290 37 I C 0.581 176.755 176.117 0.096 0.000 1.028 37 I CA -0.534 60.884 61.300 0.197 0.000 1.345 37 I CB 0.602 38.654 38.000 0.086 0.000 1.407 37 I HN 0.416 nan 8.210 nan 0.000 0.501 38 H N 4.910 123.959 119.070 -0.035 0.000 2.505 38 H HA 0.300 4.856 4.556 0.000 0.000 0.358 38 H C 1.253 176.477 175.328 -0.173 0.000 1.304 38 H CA -0.341 55.531 56.048 -0.293 0.000 1.393 38 H CB 0.616 29.986 29.762 -0.653 0.000 1.591 38 H HN 0.441 nan 8.280 nan 0.000 0.595 39 H N -0.676 118.409 119.070 0.025 0.000 2.436 39 H HA 0.361 4.917 4.556 0.000 0.000 0.294 39 H C 0.235 175.640 175.328 0.128 0.000 1.048 39 H CA 0.808 56.899 56.048 0.071 0.000 1.353 39 H CB -0.028 29.776 29.762 0.071 0.000 1.414 39 H HN 0.454 nan 8.280 nan 0.000 0.536 40 A N 0.252 123.041 122.820 -0.053 0.000 2.515 40 A HA 0.592 4.912 4.320 0.000 0.000 0.298 40 A C -1.802 175.611 177.584 -0.284 0.000 1.059 40 A CA -0.666 51.391 52.037 0.034 0.000 0.698 40 A CB 1.576 20.625 19.000 0.082 0.000 1.289 40 A HN 0.121 nan 8.150 nan 0.000 0.404 41 Y N 0.265 120.537 120.300 -0.046 0.000 2.462 41 Y HA 0.662 5.212 4.550 0.000 0.000 0.346 41 Y C -0.352 175.386 175.900 -0.271 0.000 0.976 41 Y CA -0.808 57.160 58.100 -0.219 0.000 1.044 41 Y CB 2.298 40.642 38.460 -0.194 0.000 1.230 41 Y HN 0.664 nan 8.280 nan 0.000 0.455 42 L N 4.165 125.218 121.223 -0.283 0.000 2.372 42 L HA 0.558 4.898 4.340 0.000 0.000 0.274 42 L C -1.863 174.856 176.870 -0.253 0.000 0.988 42 L CA -0.639 54.087 54.840 -0.189 0.000 0.833 42 L CB 0.675 42.660 42.059 -0.124 0.000 1.236 42 L HN 0.556 nan 8.230 nan 0.000 0.410 43 F N 3.290 123.328 119.950 0.147 0.000 2.308 43 F HA 0.348 4.875 4.527 0.000 0.000 0.370 43 F C 0.823 176.650 175.800 0.045 0.000 1.100 43 F CA -0.424 57.650 58.000 0.123 0.000 1.108 43 F CB 1.515 40.567 39.000 0.086 0.000 1.293 43 F HN 0.422 nan 8.300 nan 0.000 0.478 44 S N 1.828 117.618 115.700 0.151 0.000 2.730 44 S HA 0.993 5.463 4.470 0.000 0.000 0.284 44 S C 0.032 174.577 174.600 -0.093 0.000 1.153 44 S CA -0.214 57.994 58.200 0.014 0.000 0.995 44 S CB 1.889 65.074 63.200 -0.024 0.000 1.058 44 S HN 1.237 nan 8.310 nan 0.000 0.552 45 G N -0.092 108.613 108.800 -0.158 0.000 2.326 45 G HA2 0.327 4.287 3.960 0.000 0.000 0.413 45 G HA3 0.327 4.287 3.960 0.000 0.000 0.413 45 G C -0.407 174.441 174.900 -0.086 0.000 1.444 45 G CA -0.364 44.624 45.100 -0.187 0.000 1.002 45 G HN 0.850 nan 8.290 nan 0.000 0.649 46 T N 0.921 115.438 114.554 -0.062 0.000 3.568 46 T HA 0.371 4.721 4.350 0.000 0.000 0.406 46 T C 0.990 175.681 174.700 -0.016 0.000 1.191 46 T CA -0.127 61.958 62.100 -0.026 0.000 1.041 46 T CB 0.099 68.961 68.868 -0.010 0.000 1.593 46 T HN 0.519 nan 8.240 nan 0.000 0.529 47 R N 0.824 121.321 120.500 -0.006 0.000 2.441 47 R HA 0.374 4.714 4.340 0.000 0.000 0.284 47 R C 1.280 177.575 176.300 -0.009 0.000 1.070 47 R CA 0.234 56.333 56.100 -0.002 0.000 1.047 47 R CB -0.029 30.274 30.300 0.004 0.000 1.016 47 R HN 1.019 nan 8.270 nan 0.000 0.477 48 G N 1.443 110.236 108.800 -0.011 0.000 2.379 48 G HA2 -0.289 3.671 3.960 0.000 0.000 0.297 48 G HA3 -0.289 3.671 3.960 0.000 0.000 0.297 48 G C 0.725 175.609 174.900 -0.027 0.000 1.004 48 G CA 0.809 45.898 45.100 -0.017 0.000 0.921 48 G HN 0.540 nan 8.290 nan 0.000 0.511 49 V N -3.824 116.070 119.914 -0.033 0.000 3.235 49 V HA 0.594 4.714 4.120 0.000 0.000 0.259 49 V C 1.809 177.862 176.094 -0.067 0.000 1.133 49 V CA 1.270 63.546 62.300 -0.040 0.000 1.128 49 V CB 0.093 31.895 31.823 -0.035 0.000 0.757 49 V HN 2.152 nan 8.190 nan 0.000 0.469 50 G N 0.365 109.115 108.800 -0.084 0.000 2.145 50 G HA2 -0.183 3.777 3.960 0.000 0.000 0.145 50 G HA3 -0.183 3.777 3.960 0.000 0.000 0.145 50 G C 0.516 175.295 174.900 -0.202 0.000 1.017 50 G CA 0.264 45.282 45.100 -0.137 0.000 0.682 50 G HN 0.455 nan 8.290 nan 0.000 0.504 51 K N -0.336 119.974 120.400 -0.150 0.000 2.025 51 K HA -0.025 4.295 4.320 0.000 0.000 0.207 51 K C 2.495 178.938 176.600 -0.261 0.000 1.049 51 K CA 1.773 57.953 56.287 -0.178 0.000 0.933 51 K CB -0.197 32.295 32.500 -0.013 0.000 0.714 51 K HN 0.293 nan 8.250 nan 0.000 0.438 52 T N 0.870 115.332 114.554 -0.152 0.000 2.904 52 T HA -0.068 4.282 4.350 0.000 0.000 0.267 52 T C 2.052 176.630 174.700 -0.202 0.000 1.059 52 T CA 1.169 63.188 62.100 -0.135 0.000 1.137 52 T CB -0.081 68.749 68.868 -0.064 0.000 0.879 52 T HN 0.126 nan 8.240 nan 0.000 0.467 53 S N 1.463 117.031 115.700 -0.219 0.000 2.353 53 S HA -0.034 4.436 4.470 0.000 0.000 0.222 53 S C 2.043 176.420 174.600 -0.373 0.000 1.035 53 S CA 1.103 59.160 58.200 -0.238 0.000 1.025 53 S CB -0.425 62.653 63.200 -0.203 0.000 0.902 53 S HN 0.436 nan 8.310 nan 0.000 0.440 54 I N 1.699 121.947 120.570 -0.535 0.000 2.252 54 I HA -0.181 3.989 4.170 0.000 0.000 0.245 54 I C 2.734 178.386 176.117 -0.775 0.000 1.102 54 I CA 0.989 61.822 61.300 -0.778 0.000 1.385 54 I CB -0.604 36.848 38.000 -0.913 0.000 1.064 54 I HN 0.259 nan 8.210 nan 0.000 0.414 55 A N 0.790 123.142 122.820 -0.780 0.000 1.908 55 A HA -0.241 4.079 4.320 0.000 0.000 0.218 55 A C 2.457 179.943 177.584 -0.163 0.000 1.181 55 A CA 1.623 53.447 52.037 -0.354 0.000 0.627 55 A CB -0.641 18.308 19.000 -0.085 0.000 0.818 55 A HN 0.298 nan 8.150 nan 0.000 0.445 56 R N -0.795 119.595 120.500 -0.183 0.000 2.148 56 R HA 0.023 4.363 4.340 0.000 0.000 0.227 56 R C 1.949 178.186 176.300 -0.105 0.000 1.103 56 R CA 0.998 57.035 56.100 -0.105 0.000 0.983 56 R CB -0.319 29.926 30.300 -0.092 0.000 0.874 56 R HN 0.576 nan 8.270 nan 0.000 0.451 57 L N 0.145 121.250 121.223 -0.197 0.000 2.109 57 L HA -0.170 4.170 4.340 0.000 0.000 0.207 57 L C 2.300 179.238 176.870 0.112 0.000 1.086 57 L CA 0.464 55.233 54.840 -0.117 0.000 0.760 57 L CB -0.343 41.408 42.059 -0.513 0.000 0.910 57 L HN 0.203 nan 8.230 nan 0.000 0.437 58 L N 0.409 121.641 121.223 0.014 0.000 2.083 58 L HA -0.116 4.224 4.340 0.000 0.000 0.209 58 L C 2.467 179.365 176.870 0.045 0.000 1.083 58 L CA 2.004 56.912 54.840 0.113 0.000 0.752 58 L CB -0.624 41.430 42.059 -0.008 0.000 0.899 58 L HN 0.130 nan 8.230 nan 0.000 0.433 59 A N -1.416 121.419 122.820 0.025 0.000 2.119 59 A HA -0.109 4.211 4.320 0.000 0.000 0.216 59 A C 2.360 179.978 177.584 0.056 0.000 1.152 59 A CA 1.159 53.226 52.037 0.051 0.000 0.708 59 A CB -0.430 18.610 19.000 0.065 0.000 0.805 59 A HN 0.466 nan 8.150 nan 0.000 0.460 60 K N -0.659 119.759 120.400 0.031 0.000 2.211 60 K HA 0.012 4.332 4.320 0.000 0.000 0.201 60 K C 1.794 178.406 176.600 0.020 0.000 1.052 60 K CA 0.898 57.178 56.287 -0.012 0.000 0.973 60 K CB -0.207 32.287 32.500 -0.010 0.000 0.766 60 K HN 0.376 nan 8.250 nan 0.000 0.466 61 G N 0.490 109.332 108.800 0.071 0.000 2.623 61 G HA2 -0.050 3.910 3.960 0.000 0.000 0.214 61 G HA3 -0.050 3.910 3.960 0.000 0.000 0.214 61 G C 1.292 176.238 174.900 0.076 0.000 1.138 61 G CA 0.005 45.135 45.100 0.049 0.000 0.794 61 G HN 0.119 nan 8.290 nan 0.000 0.535 62 L N 0.035 121.326 121.223 0.113 0.000 2.162 62 L HA 0.143 4.483 4.340 0.000 0.000 0.205 62 L C 1.842 178.918 176.870 0.345 0.000 1.086 62 L CA 0.542 55.518 54.840 0.226 0.000 0.778 62 L CB -0.003 42.133 42.059 0.129 0.000 0.928 62 L HN 0.082 nan 8.230 nan 0.000 0.446 63 N N -0.795 118.033 118.700 0.212 0.000 2.230 63 N HA 0.028 4.768 4.740 0.000 0.000 0.202 63 N C 0.016 175.540 175.510 0.023 0.000 1.119 63 N CA -0.021 53.124 53.050 0.158 0.000 0.851 63 N CB 0.216 38.819 38.487 0.193 0.000 0.990 63 N HN 0.186 nan 8.380 nan 0.000 0.497 64 C N 1.973 121.282 119.300 0.015 0.000 2.592 64 C HA 0.029 4.489 4.460 0.000 0.000 0.408 64 C C 1.860 176.846 174.990 -0.007 0.000 1.436 64 C CA -0.137 58.868 59.018 -0.022 0.000 1.595 64 C CB -0.732 27.004 27.740 -0.007 0.000 2.487 64 C HN 0.464 nan 8.230 nan 0.000 0.610 65 E N 2.107 122.293 120.200 -0.023 0.000 2.171 65 E HA -0.191 4.159 4.350 0.000 0.000 0.197 65 E C 2.057 178.655 176.600 -0.004 0.000 0.997 65 E CA 1.875 58.270 56.400 -0.008 0.000 0.810 65 E CB -0.028 29.665 29.700 -0.013 0.000 0.738 65 E HN 0.890 nan 8.360 nan 0.000 0.467 66 T N -0.403 114.146 114.554 -0.008 0.000 2.897 66 T HA 0.007 4.357 4.350 0.000 0.000 0.271 66 T C 0.507 175.210 174.700 0.004 0.000 1.084 66 T CA 0.978 63.076 62.100 -0.005 0.000 1.123 66 T CB -0.142 68.720 68.868 -0.010 0.000 0.865 66 T HN 0.486 nan 8.240 nan 0.000 0.496 67 G N -0.130 108.678 108.800 0.013 0.000 2.381 67 G HA2 -0.028 3.932 3.960 0.000 0.000 0.672 67 G HA3 -0.028 3.932 3.960 0.000 0.000 0.672 67 G C -0.859 174.071 174.900 0.050 0.000 1.324 67 G CA -0.939 44.178 45.100 0.029 0.000 0.975 67 G HN 0.300 nan 8.290 nan 0.000 0.593 68 I N 1.584 122.206 120.570 0.086 0.000 2.671 68 I HA 0.338 4.508 4.170 0.000 0.000 0.285 68 I C 0.964 177.111 176.117 0.051 0.000 1.148 68 I CA 1.002 62.372 61.300 0.117 0.000 1.386 68 I CB 0.422 38.533 38.000 0.186 0.000 1.406 68 I HN 0.626 nan 8.210 nan 0.000 0.540 69 T N 4.017 118.580 114.554 0.014 0.000 2.883 69 T HA 0.566 4.916 4.350 0.000 0.000 0.301 69 T C 0.483 175.104 174.700 -0.132 0.000 1.158 69 T CA -0.206 61.867 62.100 -0.045 0.000 1.007 69 T CB 1.777 70.619 68.868 -0.042 0.000 1.186 69 T HN 0.545 nan 8.240 nan 0.000 0.499 70 A N 1.678 124.368 122.820 -0.217 0.000 2.238 70 A HA 0.315 4.635 4.320 0.000 0.000 0.208 70 A C 1.002 178.284 177.584 -0.505 0.000 1.177 70 A CA 0.912 52.663 52.037 -0.477 0.000 0.804 70 A CB -0.401 18.357 19.000 -0.403 0.000 0.823 70 A HN 0.991 nan 8.150 nan 0.000 0.482 71 T N -1.698 112.714 114.554 -0.236 0.000 3.418 71 T HA 0.467 4.817 4.350 0.000 0.000 0.315 71 T C -3.134 171.532 174.700 -0.056 0.000 1.447 71 T CA -1.724 60.299 62.100 -0.128 0.000 1.641 71 T CB 0.620 69.433 68.868 -0.091 0.000 0.904 71 T HN -0.056 nan 8.240 nan 0.000 0.640 72 P HA 0.048 nan 4.420 nan 0.000 0.260 72 P C 1.686 178.979 177.300 -0.013 0.000 1.172 72 P CA -0.349 62.745 63.100 -0.010 0.000 0.760 72 P CB 0.250 31.959 31.700 0.015 0.000 0.773 73 C N 2.125 121.413 119.300 -0.021 0.000 2.403 73 C HA -0.003 4.457 4.460 0.000 0.000 0.277 73 C C 1.983 176.961 174.990 -0.020 0.000 1.248 73 C CA 0.899 59.905 59.018 -0.019 0.000 1.762 73 C CB -1.855 25.872 27.740 -0.021 0.000 2.014 73 C HN 0.781 nan 8.230 nan 0.000 0.486 74 G N -0.067 108.715 108.800 -0.030 0.000 2.184 74 G HA2 -0.242 3.718 3.960 0.000 0.000 0.264 74 G HA3 -0.242 3.718 3.960 0.000 0.000 0.264 74 G C 0.714 175.589 174.900 -0.042 0.000 0.975 74 G CA 0.943 46.021 45.100 -0.035 0.000 0.642 74 G HN 1.752 nan 8.290 nan 0.000 0.536 75 V N -2.245 117.646 119.914 -0.039 0.000 3.502 75 V HA 0.416 4.536 4.120 0.000 0.000 0.288 75 V C 1.694 177.765 176.094 -0.039 0.000 1.461 75 V CA 0.387 62.665 62.300 -0.036 0.000 1.029 75 V CB -0.809 30.998 31.823 -0.026 0.000 0.843 75 V HN 1.355 nan 8.190 nan 0.000 0.438 76 C N 0.472 119.743 119.300 -0.048 0.000 2.580 76 C HA 0.423 4.883 4.460 0.000 0.000 0.371 76 C C 1.721 176.674 174.990 -0.062 0.000 1.308 76 C CA 0.289 59.278 59.018 -0.047 0.000 2.428 76 C CB 0.947 28.657 27.740 -0.050 0.000 2.529 76 C HN 0.532 nan 8.230 nan 0.000 0.657 77 D N 1.215 121.588 120.400 -0.045 0.000 2.178 77 D HA -0.118 4.522 4.640 0.000 0.000 0.201 77 D C 1.640 177.882 176.300 -0.095 0.000 0.980 77 D CA 1.647 55.625 54.000 -0.037 0.000 0.842 77 D CB -0.278 40.527 40.800 0.009 0.000 0.948 77 D HN 0.661 nan 8.370 nan 0.000 0.472 78 N N 0.129 118.726 118.700 -0.173 0.000 2.142 78 N HA -0.100 4.640 4.740 0.000 0.000 0.186 78 N C 1.889 177.070 175.510 -0.548 0.000 1.023 78 N CA 0.523 53.267 53.050 -0.511 0.000 0.852 78 N CB -0.683 37.564 38.487 -0.401 0.000 0.998 78 N HN 0.162 nan 8.380 nan 0.000 0.424 79 C N 0.811 119.941 119.300 -0.283 0.000 2.446 79 C HA 0.050 4.510 4.460 0.000 0.000 0.277 79 C C 2.582 177.477 174.990 -0.159 0.000 1.275 79 C CA 0.389 59.287 59.018 -0.200 0.000 1.727 79 C CB -0.732 26.939 27.740 -0.115 0.000 2.010 79 C HN 0.454 nan 8.230 nan 0.000 0.486 80 R N 0.446 120.871 120.500 -0.125 0.000 2.075 80 R HA -0.120 4.220 4.340 0.000 0.000 0.232 80 R C 2.038 178.298 176.300 -0.067 0.000 1.126 80 R CA 1.404 57.456 56.100 -0.080 0.000 0.963 80 R CB -0.378 29.890 30.300 -0.054 0.000 0.858 80 R HN 0.642 nan 8.270 nan 0.000 0.435 81 E N 0.568 120.724 120.200 -0.074 0.000 2.106 81 E HA -0.108 4.242 4.350 0.000 0.000 0.192 81 E C 1.992 178.602 176.600 0.017 0.000 0.984 81 E CA 0.790 57.196 56.400 0.010 0.000 0.806 81 E CB 0.011 29.797 29.700 0.143 0.000 0.750 81 E HN 0.297 nan 8.360 nan 0.000 0.458 82 I N 0.993 121.498 120.570 -0.110 0.000 2.315 82 I HA -0.239 3.931 4.170 0.000 0.000 0.248 82 I C 2.499 178.598 176.117 -0.029 0.000 1.117 82 I CA 1.005 62.273 61.300 -0.054 0.000 1.404 82 I CB -0.057 37.840 38.000 -0.172 0.000 1.071 82 I HN 0.090 nan 8.210 nan 0.000 0.419 83 E N 1.141 121.308 120.200 -0.055 0.000 2.106 83 E HA -0.269 4.081 4.350 0.000 0.000 0.192 83 E C 2.063 178.646 176.600 -0.029 0.000 0.984 83 E CA 1.456 57.829 56.400 -0.045 0.000 0.806 83 E CB -0.131 29.536 29.700 -0.056 0.000 0.750 83 E HN 0.294 nan 8.360 nan 0.000 0.458 84 Q N -0.745 119.043 119.800 -0.019 0.000 2.369 84 Q HA 0.111 4.451 4.340 0.000 0.000 0.206 84 Q C 1.119 177.122 176.000 0.005 0.000 0.963 84 Q CA 1.275 57.072 55.803 -0.009 0.000 0.894 84 Q CB -0.055 28.683 28.738 -0.000 0.000 0.965 84 Q HN 0.496 nan 8.270 nan 0.000 0.475 85 G N -0.076 108.735 108.800 0.018 0.000 2.159 85 G HA2 -0.313 3.647 3.960 0.000 0.000 0.256 85 G HA3 -0.313 3.647 3.960 0.000 0.000 0.256 85 G C 0.456 175.383 174.900 0.045 0.000 0.977 85 G CA 0.410 45.527 45.100 0.029 0.000 0.652 85 G HN 0.197 nan 8.290 nan 0.000 0.531 86 R N -0.435 120.103 120.500 0.064 0.000 3.130 86 R HA 0.522 4.862 4.340 0.000 0.000 0.348 86 R C -0.588 175.798 176.300 0.143 0.000 1.241 86 R CA -0.741 55.400 56.100 0.068 0.000 1.141 86 R CB -0.416 29.910 30.300 0.042 0.000 1.453 86 R HN 0.218 nan 8.270 nan 0.000 0.590 87 F N -0.090 119.842 119.950 -0.031 0.000 2.415 87 F HA 0.209 4.736 4.527 0.000 0.000 0.348 87 F C 1.226 177.001 175.800 -0.042 0.000 1.119 87 F CA -1.243 56.739 58.000 -0.030 0.000 1.069 87 F CB 1.337 40.323 39.000 -0.024 0.000 1.124 87 F HN -0.081 nan 8.300 nan 0.000 0.472 88 V N 4.667 124.278 119.914 -0.506 0.000 2.688 88 V HA -0.191 3.929 4.120 0.000 0.000 0.256 88 V C 0.940 176.686 176.094 -0.580 0.000 1.084 88 V CA 2.429 64.449 62.300 -0.468 0.000 1.103 88 V CB -0.371 31.233 31.823 -0.364 0.000 0.688 88 V HN 0.762 nan 8.190 nan 0.000 0.480 89 D N -0.150 119.634 120.400 -1.027 0.000 2.424 89 D HA 0.198 4.838 4.640 0.000 0.000 0.220 89 D C 0.008 176.166 176.300 -0.236 0.000 1.150 89 D CA -0.088 53.561 54.000 -0.585 0.000 0.831 89 D CB 1.012 41.503 40.800 -0.515 0.000 0.981 89 D HN 0.396 nan 8.370 nan 0.000 0.500 90 L N 1.676 122.812 121.223 -0.146 0.000 2.445 90 L HA 0.367 4.708 4.340 0.000 0.000 0.252 90 L C -0.778 176.029 176.870 -0.105 0.000 1.105 90 L CA -0.422 54.425 54.840 0.013 0.000 0.943 90 L CB 0.443 42.637 42.059 0.225 0.000 1.277 90 L HN -0.144 nan 8.230 nan 0.000 0.465 91 I N 3.147 123.552 120.570 -0.274 0.000 2.329 91 I HA 0.152 4.322 4.170 0.000 0.000 0.295 91 I C 0.271 176.315 176.117 -0.123 0.000 1.109 91 I CA -0.020 61.105 61.300 -0.293 0.000 1.297 91 I CB 0.301 37.917 38.000 -0.640 0.000 1.433 91 I HN 0.509 nan 8.210 nan 0.000 0.509 92 E N 7.090 127.267 120.200 -0.038 0.000 2.229 92 E HA 0.493 4.843 4.350 0.000 0.000 0.283 92 E C -0.589 176.036 176.600 0.042 0.000 1.030 92 E CA -0.331 56.084 56.400 0.024 0.000 0.836 92 E CB 1.768 31.481 29.700 0.022 0.000 1.068 92 E HN 0.492 nan 8.360 nan 0.000 0.401 93 I N 2.223 122.842 120.570 0.083 0.000 2.509 93 I HA 0.184 4.354 4.170 0.000 0.000 0.293 93 I C -0.653 175.504 176.117 0.066 0.000 1.020 93 I CA -0.788 60.561 61.300 0.082 0.000 1.088 93 I CB 1.881 39.958 38.000 0.128 0.000 1.267 93 I HN 0.396 nan 8.210 nan 0.000 0.430 94 D N 4.454 124.879 120.400 0.041 0.000 2.464 94 D HA 0.475 5.115 4.640 0.000 0.000 0.243 94 D C 0.560 176.864 176.300 0.007 0.000 1.104 94 D CA -0.278 53.739 54.000 0.028 0.000 0.883 94 D CB 1.824 42.637 40.800 0.020 0.000 1.050 94 D HN 0.602 nan 8.370 nan 0.000 0.524 95 A N 3.211 126.030 122.820 -0.002 0.000 1.929 95 A HA 0.106 4.426 4.320 0.000 0.000 0.216 95 A C 1.998 179.547 177.584 -0.058 0.000 1.176 95 A CA 1.249 53.258 52.037 -0.047 0.000 0.628 95 A CB -0.304 18.651 19.000 -0.075 0.000 0.816 95 A HN 0.568 nan 8.150 nan 0.000 0.444 96 A N -0.549 122.249 122.820 -0.036 0.000 2.216 96 A HA 0.172 4.492 4.320 0.000 0.000 0.214 96 A C 1.476 179.047 177.584 -0.023 0.000 1.160 96 A CA 0.970 52.985 52.037 -0.036 0.000 0.725 96 A CB -0.554 18.445 19.000 -0.002 0.000 0.784 96 A HN 0.420 nan 8.150 nan 0.000 0.472 97 S N -0.960 114.730 115.700 -0.017 0.000 2.565 97 S HA 0.387 4.857 4.470 0.000 0.000 0.274 97 S C 0.956 175.544 174.600 -0.020 0.000 1.309 97 S CA -0.550 57.643 58.200 -0.012 0.000 1.043 97 S CB 0.567 63.764 63.200 -0.005 0.000 0.939 97 S HN 0.502 nan 8.310 nan 0.000 0.504 98 R N 2.054 122.544 120.500 -0.016 0.000 2.362 98 R HA 0.151 4.491 4.340 0.000 0.000 0.227 98 R C 0.907 177.198 176.300 -0.015 0.000 0.905 98 R CA 0.365 56.453 56.100 -0.019 0.000 1.067 98 R CB 0.275 30.565 30.300 -0.016 0.000 1.078 98 R HN 0.580 nan 8.270 nan 0.000 0.516 99 T N -0.305 114.242 114.554 -0.011 0.000 2.971 99 T HA 0.134 4.484 4.350 0.000 0.000 0.252 99 T C 1.069 175.764 174.700 -0.007 0.000 1.022 99 T CA 0.247 62.341 62.100 -0.009 0.000 0.980 99 T CB 0.476 69.341 68.868 -0.006 0.000 1.044 99 T HN 0.024 nan 8.240 nan 0.000 0.501 100 K N 2.180 122.576 120.400 -0.007 0.000 2.500 100 K HA 0.189 4.509 4.320 0.000 0.000 0.206 100 K C 1.767 178.363 176.600 -0.006 0.000 1.034 100 K CA -0.002 56.283 56.287 -0.003 0.000 1.179 100 K CB 0.242 32.743 32.500 0.002 0.000 0.884 100 K HN 0.240 nan 8.250 nan 0.000 0.493 101 V N -1.677 118.228 119.914 -0.015 0.000 2.720 101 V HA -0.214 3.906 4.120 0.000 0.000 0.256 101 V C 1.877 177.961 176.094 -0.017 0.000 1.082 101 V CA 1.696 63.982 62.300 -0.024 0.000 1.101 101 V CB -0.394 31.411 31.823 -0.031 0.000 0.693 101 V HN 0.346 nan 8.190 nan 0.000 0.479 102 E N 0.035 120.230 120.200 -0.009 0.000 2.166 102 E HA -0.125 4.225 4.350 0.000 0.000 0.192 102 E C 1.797 178.404 176.600 0.011 0.000 0.967 102 E CA 0.656 57.055 56.400 -0.002 0.000 0.840 102 E CB 0.057 29.755 29.700 -0.003 0.000 0.795 102 E HN 0.600 nan 8.360 nan 0.000 0.470 103 D N 0.190 120.597 120.400 0.011 0.000 2.144 103 D HA -0.102 4.538 4.640 0.000 0.000 0.200 103 D C 1.666 177.986 176.300 0.033 0.000 0.978 103 D CA 1.279 55.291 54.000 0.021 0.000 0.833 103 D CB -0.015 40.795 40.800 0.016 0.000 0.961 103 D HN 0.168 nan 8.370 nan 0.000 0.470 104 T N 0.324 114.892 114.554 0.023 0.000 2.951 104 T HA -0.077 4.273 4.350 0.000 0.000 0.268 104 T C 1.899 176.615 174.700 0.026 0.000 1.073 104 T CA 0.519 62.635 62.100 0.027 0.000 1.134 104 T CB 0.307 69.176 68.868 0.001 0.000 0.884 104 T HN 0.101 nan 8.240 nan 0.000 0.479 105 R N 0.507 121.019 120.500 0.020 0.000 2.210 105 R HA 0.007 4.347 4.340 0.000 0.000 0.203 105 R C 1.963 178.295 176.300 0.052 0.000 1.010 105 R CA 0.741 56.860 56.100 0.031 0.000 1.008 105 R CB 0.067 30.380 30.300 0.022 0.000 0.923 105 R HN 0.215 nan 8.270 nan 0.000 0.469 106 D N 0.456 120.886 120.400 0.050 0.000 2.202 106 D HA -0.064 4.576 4.640 0.000 0.000 0.214 106 D C 2.017 178.363 176.300 0.076 0.000 0.967 106 D CA 0.752 54.787 54.000 0.058 0.000 0.871 106 D CB 0.097 40.925 40.800 0.046 0.000 1.020 106 D HN 0.176 nan 8.370 nan 0.000 0.474 107 L N 0.688 121.965 121.223 0.089 0.000 2.043 107 L HA -0.188 4.152 4.340 0.000 0.000 0.212 107 L C 2.735 179.704 176.870 0.166 0.000 1.075 107 L CA 0.822 55.746 54.840 0.140 0.000 0.752 107 L CB -0.377 41.777 42.059 0.159 0.000 0.891 107 L HN 0.116 nan 8.230 nan 0.000 0.432 108 L N -0.747 120.550 121.223 0.123 0.000 2.217 108 L HA -0.173 4.167 4.340 0.000 0.000 0.211 108 L C 1.591 178.489 176.870 0.048 0.000 1.107 108 L CA 0.873 55.761 54.840 0.079 0.000 0.783 108 L CB -0.381 41.705 42.059 0.046 0.000 0.919 108 L HN 0.239 nan 8.230 nan 0.000 0.442 109 D N -0.414 120.023 120.400 0.061 0.000 2.347 109 D HA -0.023 4.617 4.640 0.000 0.000 0.213 109 D C 0.137 176.482 176.300 0.074 0.000 0.985 109 D CA 0.617 54.652 54.000 0.057 0.000 0.879 109 D CB 0.189 41.028 40.800 0.064 0.000 0.919 109 D HN 0.152 nan 8.370 nan 0.000 0.526 110 N N 0.366 119.118 118.700 0.087 0.000 2.752 110 N HA 0.134 4.874 4.740 0.000 0.000 0.260 110 N C -1.099 174.478 175.510 0.112 0.000 1.562 110 N CA -0.199 52.914 53.050 0.106 0.000 0.788 110 N CB 1.539 40.085 38.487 0.098 0.000 1.192 110 N HN -0.153 nan 8.380 nan 0.000 0.503 111 V N 1.320 121.263 119.914 0.048 0.000 2.637 111 V HA 0.063 4.183 4.120 0.000 0.000 0.296 111 V C 0.747 176.808 176.094 -0.055 0.000 1.046 111 V CA -0.156 62.099 62.300 -0.076 0.000 1.066 111 V CB 0.964 32.553 31.823 -0.390 0.000 0.968 111 V HN 0.346 nan 8.190 nan 0.000 0.483 112 Q N 3.647 123.491 119.800 0.074 0.000 2.406 112 Q HA 0.255 4.595 4.340 0.000 0.000 0.242 112 Q C -0.366 175.676 176.000 0.070 0.000 1.036 112 Q CA -0.273 55.601 55.803 0.118 0.000 0.904 112 Q CB 0.497 29.304 28.738 0.115 0.000 1.244 112 Q HN 0.756 nan 8.270 nan 0.000 0.478 113 Y N 0.602 120.967 120.300 0.108 0.000 2.639 113 Y HA 0.033 4.583 4.550 0.000 0.000 0.297 113 Y C 0.867 176.850 175.900 0.139 0.000 1.151 113 Y CA 0.082 58.255 58.100 0.122 0.000 1.335 113 Y CB 0.427 38.950 38.460 0.104 0.000 0.994 113 Y HN 0.483 nan 8.280 nan 0.000 0.548 114 A N 0.246 123.189 122.820 0.206 0.000 2.332 114 A HA 0.592 4.912 4.320 0.000 0.000 0.300 114 A C -2.636 174.962 177.584 0.022 0.000 1.153 114 A CA -1.828 50.259 52.037 0.083 0.000 0.764 114 A CB 0.560 19.586 19.000 0.045 0.000 1.174 114 A HN -0.102 nan 8.150 nan 0.000 0.467 115 P HA 0.246 nan 4.420 nan 0.000 0.267 115 P C 0.800 178.054 177.300 -0.076 0.000 1.200 115 P CA 0.485 63.559 63.100 -0.043 0.000 0.772 115 P CB 1.053 32.726 31.700 -0.046 0.000 0.855 116 A N 2.306 125.060 122.820 -0.110 0.000 2.014 116 A HA 0.053 4.373 4.320 0.000 0.000 0.210 116 A C 1.984 179.506 177.584 -0.103 0.000 1.188 116 A CA 1.100 53.072 52.037 -0.109 0.000 0.731 116 A CB -0.234 18.686 19.000 -0.133 0.000 0.858 116 A HN 0.458 nan 8.150 nan 0.000 0.464 117 R N -1.217 119.207 120.500 -0.127 0.000 2.610 117 R HA 0.281 4.621 4.340 0.000 0.000 0.171 117 R C 1.270 177.605 176.300 0.059 0.000 0.892 117 R CA 1.021 57.099 56.100 -0.037 0.000 1.086 117 R CB -0.536 29.742 30.300 -0.036 0.000 1.320 117 R HN 0.346 nan 8.270 nan 0.000 0.582 118 G N 0.291 109.171 108.800 0.134 0.000 2.563 118 G HA2 0.193 4.153 3.960 0.000 0.000 0.283 118 G HA3 0.193 4.153 3.960 0.000 0.000 0.283 118 G C 0.012 174.929 174.900 0.028 0.000 1.309 118 G CA -0.111 45.111 45.100 0.204 0.000 1.022 118 G HN 0.419 nan 8.290 nan 0.000 0.501 119 R N -1.895 118.574 120.500 -0.052 0.000 2.275 119 R HA 0.226 4.566 4.340 0.000 0.000 0.199 119 R C -0.618 175.385 176.300 -0.496 0.000 0.989 119 R CA 0.396 56.303 56.100 -0.321 0.000 1.016 119 R CB 0.030 30.041 30.300 -0.482 0.000 0.918 119 R HN 0.188 nan 8.270 nan 0.000 0.473 120 F N 0.880 120.913 119.950 0.138 0.000 2.557 120 F HA 0.371 4.898 4.527 0.000 0.000 0.316 120 F C -0.087 175.777 175.800 0.106 0.000 1.141 120 F CA -1.605 56.480 58.000 0.140 0.000 0.922 120 F CB 2.006 41.090 39.000 0.140 0.000 1.194 120 F HN -0.294 nan 8.300 nan 0.000 0.443 121 K N 3.870 124.438 120.400 0.280 0.000 2.180 121 K HA 0.362 4.682 4.320 0.000 0.000 0.250 121 K C -0.804 175.883 176.600 0.146 0.000 1.135 121 K CA -0.112 56.255 56.287 0.134 0.000 1.037 121 K CB 0.164 32.741 32.500 0.129 0.000 1.624 121 K HN 0.454 nan 8.250 nan 0.000 0.382 122 V N 4.345 124.327 119.914 0.113 0.000 2.649 122 V HA 0.162 4.282 4.120 0.000 0.000 0.292 122 V C -0.268 175.834 176.094 0.013 0.000 1.055 122 V CA -0.398 61.963 62.300 0.103 0.000 1.023 122 V CB 0.372 32.269 31.823 0.124 0.000 0.992 122 V HN 0.362 nan 8.190 nan 0.000 0.480 123 Y N 3.869 124.111 120.300 -0.098 0.000 2.350 123 Y HA 0.536 5.086 4.550 0.000 0.000 0.338 123 Y C -0.111 175.852 175.900 0.106 0.000 0.961 123 Y CA -0.969 57.125 58.100 -0.011 0.000 1.100 123 Y CB 1.755 40.190 38.460 -0.042 0.000 1.179 123 Y HN 0.373 nan 8.280 nan 0.000 0.454 124 L N 6.433 127.788 121.223 0.219 0.000 2.324 124 L HA 0.543 4.883 4.340 0.000 0.000 0.274 124 L C -1.180 175.806 176.870 0.194 0.000 1.012 124 L CA -0.367 54.593 54.840 0.201 0.000 0.859 124 L CB 0.184 42.318 42.059 0.126 0.000 1.224 124 L HN 0.656 nan 8.230 nan 0.000 0.429 125 I N 4.374 125.081 120.570 0.229 0.000 2.325 125 I HA 0.191 4.361 4.170 0.000 0.000 0.291 125 I C -0.245 175.965 176.117 0.155 0.000 1.019 125 I CA -0.465 60.946 61.300 0.185 0.000 1.302 125 I CB 1.237 39.352 38.000 0.192 0.000 1.401 125 I HN 0.449 nan 8.210 nan 0.000 0.485 126 D N 6.899 127.370 120.400 0.118 0.000 2.210 126 D HA 0.133 4.773 4.640 0.000 0.000 0.249 126 D C 0.131 176.499 176.300 0.114 0.000 1.078 126 D CA -0.118 53.946 54.000 0.107 0.000 0.875 126 D CB 0.856 41.700 40.800 0.075 0.000 1.175 126 D HN 0.363 nan 8.370 nan 0.000 0.440 127 E N 0.611 120.904 120.200 0.155 0.000 2.222 127 E HA -0.167 4.183 4.350 0.000 0.000 0.189 127 E C 0.901 177.621 176.600 0.200 0.000 1.415 127 E CA 0.122 56.660 56.400 0.230 0.000 0.689 127 E CB -1.309 28.480 29.700 0.148 0.000 1.107 127 E HN 0.364 nan 8.360 nan 0.000 0.350 128 V N 1.803 121.866 119.914 0.249 0.000 2.490 128 V HA -0.283 3.837 4.120 0.000 0.000 0.250 128 V C 2.428 178.695 176.094 0.288 0.000 1.061 128 V CA 2.463 64.888 62.300 0.210 0.000 1.064 128 V CB -0.429 31.524 31.823 0.217 0.000 0.670 128 V HN 0.713 nan 8.190 nan 0.000 0.461 129 H N -0.714 118.486 119.070 0.217 0.000 2.543 129 H HA -0.097 4.459 4.556 0.000 0.000 0.286 129 H C 1.607 177.129 175.328 0.324 0.000 1.037 129 H CA 1.472 57.716 56.048 0.327 0.000 1.250 129 H CB -0.704 29.162 29.762 0.172 0.000 1.373 129 H HN 0.492 nan 8.280 nan 0.000 0.580 130 M N 0.892 120.313 119.600 -0.298 0.000 2.505 130 M HA 0.219 4.699 4.480 0.000 0.000 0.230 130 M C 0.150 176.289 176.300 -0.267 0.000 1.153 130 M CA -0.085 55.026 55.300 -0.314 0.000 0.997 130 M CB 0.488 32.878 32.600 -0.349 0.000 1.606 130 M HN 0.033 nan 8.290 nan 0.000 0.481 131 L N 0.824 121.774 121.223 -0.455 0.000 2.439 131 L HA 0.155 4.495 4.340 0.000 0.000 0.269 131 L C 1.013 177.382 176.870 -0.835 0.000 1.179 131 L CA -0.487 53.924 54.840 -0.716 0.000 0.828 131 L CB 0.892 42.359 42.059 -0.987 0.000 1.106 131 L HN 0.272 nan 8.230 nan 0.000 0.467 132 S N 2.174 117.598 115.700 -0.460 0.000 2.589 132 S HA 0.052 4.522 4.470 0.000 0.000 0.265 132 S C 1.068 175.563 174.600 -0.175 0.000 1.342 132 S CA -0.464 57.600 58.200 -0.227 0.000 1.005 132 S CB 0.834 63.976 63.200 -0.096 0.000 0.909 132 S HN 0.761 nan 8.310 nan 0.000 0.555 133 R N 0.121 120.674 120.500 0.089 0.000 2.159 133 R HA -0.199 4.141 4.340 0.000 0.000 0.237 133 R C 1.739 178.164 176.300 0.208 0.000 1.131 133 R CA 1.779 58.032 56.100 0.256 0.000 0.982 133 R CB -0.665 29.752 30.300 0.194 0.000 0.868 133 R HN 0.898 nan 8.270 nan 0.000 0.453 134 H N -0.028 119.052 119.070 0.016 0.000 2.270 134 H HA 0.035 4.591 4.556 0.000 0.000 0.299 134 H C 2.085 177.409 175.328 -0.008 0.000 1.077 134 H CA 2.544 58.595 56.048 0.005 0.000 1.294 134 H CB -0.091 29.661 29.762 -0.016 0.000 1.371 134 H HN 0.148 nan 8.280 nan 0.000 0.491 135 S N -0.170 115.550 115.700 0.034 0.000 2.423 135 S HA -0.096 4.374 4.470 0.000 0.000 0.231 135 S C 1.837 176.414 174.600 -0.039 0.000 1.014 135 S CA 0.650 58.819 58.200 -0.051 0.000 0.965 135 S CB -0.295 62.837 63.200 -0.114 0.000 0.785 135 S HN 0.225 nan 8.310 nan 0.000 0.495 136 F N 3.206 123.146 119.950 -0.016 0.000 2.069 136 F HA -0.124 4.403 4.527 0.000 0.000 0.298 136 F C 2.251 178.011 175.800 -0.067 0.000 1.113 136 F CA 0.840 58.817 58.000 -0.039 0.000 1.214 136 F CB -1.024 37.964 39.000 -0.020 0.000 0.978 136 F HN 0.214 nan 8.300 nan 0.000 0.474 137 N N 0.426 119.216 118.700 0.150 0.000 2.104 137 N HA -0.185 4.556 4.740 0.000 0.000 0.190 137 N C 2.025 177.525 175.510 -0.017 0.000 1.024 137 N CA 1.425 54.494 53.050 0.031 0.000 0.853 137 N CB -0.892 37.586 38.487 -0.015 0.000 1.008 137 N HN 0.291 nan 8.380 nan 0.000 0.424 138 A N 1.485 124.285 122.820 -0.033 0.000 1.908 138 A HA -0.122 4.198 4.320 0.000 0.000 0.218 138 A C 2.275 179.813 177.584 -0.076 0.000 1.181 138 A CA 1.165 53.171 52.037 -0.052 0.000 0.627 138 A CB -0.716 18.256 19.000 -0.046 0.000 0.818 138 A HN 0.235 nan 8.150 nan 0.000 0.445 139 L N -0.677 120.492 121.223 -0.090 0.000 2.109 139 L HA -0.006 4.334 4.340 0.000 0.000 0.207 139 L C 2.213 178.959 176.870 -0.207 0.000 1.086 139 L CA 1.496 56.206 54.840 -0.217 0.000 0.760 139 L CB -0.432 41.520 42.059 -0.178 0.000 0.910 139 L HN 0.447 nan 8.230 nan 0.000 0.437 140 L N -0.430 120.737 121.223 -0.093 0.000 2.017 140 L HA -0.273 4.067 4.340 0.000 0.000 0.208 140 L C 2.644 179.472 176.870 -0.070 0.000 1.073 140 L CA 1.915 56.708 54.840 -0.078 0.000 0.745 140 L CB -0.372 41.662 42.059 -0.043 0.000 0.894 140 L HN 0.395 nan 8.230 nan 0.000 0.432 141 K N -0.904 119.464 120.400 -0.053 0.000 2.074 141 K HA -0.217 4.103 4.320 0.000 0.000 0.209 141 K C 1.765 178.354 176.600 -0.017 0.000 1.048 141 K CA 2.240 58.510 56.287 -0.029 0.000 0.926 141 K CB -0.051 32.437 32.500 -0.020 0.000 0.713 141 K HN 0.339 nan 8.250 nan 0.000 0.444 142 T N 1.289 115.821 114.554 -0.038 0.000 2.904 142 T HA -0.004 4.346 4.350 0.000 0.000 0.267 142 T C 1.637 176.343 174.700 0.009 0.000 1.059 142 T CA 0.836 62.940 62.100 0.007 0.000 1.137 142 T CB 0.027 68.897 68.868 0.002 0.000 0.879 142 T HN 0.169 nan 8.240 nan 0.000 0.467 143 L N 0.576 121.758 121.223 -0.069 0.000 2.395 143 L HA 0.072 4.412 4.340 0.000 0.000 0.218 143 L C 2.423 179.294 176.870 0.002 0.000 1.130 143 L CA 1.008 55.834 54.840 -0.023 0.000 0.826 143 L CB -0.422 41.584 42.059 -0.088 0.000 0.941 143 L HN 0.301 nan 8.230 nan 0.000 0.451 144 E N -0.300 119.891 120.200 -0.016 0.000 2.230 144 E HA -0.066 4.284 4.350 0.000 0.000 0.192 144 E C 0.937 177.525 176.600 -0.020 0.000 0.987 144 E CA 0.359 56.750 56.400 -0.015 0.000 0.841 144 E CB 0.395 30.084 29.700 -0.017 0.000 0.783 144 E HN 0.185 nan 8.360 nan 0.000 0.481 145 E N 1.149 121.345 120.200 -0.006 0.000 3.786 145 E HA 0.156 4.506 4.350 0.000 0.000 0.215 145 E C -2.633 173.977 176.600 0.017 0.000 1.188 145 E CA -2.217 54.184 56.400 0.001 0.000 1.248 145 E CB 0.804 30.521 29.700 0.028 0.000 1.260 145 E HN -0.060 nan 8.360 nan 0.000 0.426 146 P HA -0.034 nan 4.420 nan 0.000 0.242 146 P C -2.537 174.769 177.300 0.011 0.000 1.116 146 P CA -0.381 62.687 63.100 -0.053 0.000 0.954 146 P CB -0.284 31.207 31.700 -0.348 0.000 0.908 147 P HA 0.062 nan 4.420 nan 0.000 0.271 147 P C -0.026 177.326 177.300 0.086 0.000 1.220 147 P CA 0.135 63.336 63.100 0.169 0.000 0.768 147 P CB 0.545 32.388 31.700 0.239 0.000 0.848 148 E N 2.681 122.892 120.200 0.018 0.000 2.373 148 E HA 0.100 4.450 4.350 0.000 0.000 0.263 148 E C 0.672 177.198 176.600 -0.123 0.000 1.073 148 E CA -0.014 56.309 56.400 -0.129 0.000 0.894 148 E CB 0.073 29.579 29.700 -0.325 0.000 1.008 148 E HN 0.556 nan 8.360 nan 0.000 0.420 149 H N -2.197 117.033 119.070 0.267 0.000 3.433 149 H HA -0.116 4.440 4.556 0.000 0.000 0.197 149 H C -0.639 174.859 175.328 0.283 0.000 1.059 149 H CA 0.654 56.866 56.048 0.273 0.000 1.185 149 H CB -1.777 28.064 29.762 0.132 0.000 1.106 149 H HN 0.141 nan 8.280 nan 0.000 0.329 150 V N 1.692 121.766 119.914 0.266 0.000 2.577 150 V HA 0.498 4.618 4.120 0.000 0.000 0.303 150 V C 0.044 176.128 176.094 -0.016 0.000 1.042 150 V CA -0.929 61.419 62.300 0.079 0.000 0.872 150 V CB 2.781 34.537 31.823 -0.112 0.000 0.998 150 V HN -0.010 nan 8.190 nan 0.000 0.423 151 K N 3.815 124.177 120.400 -0.064 0.000 2.345 151 K HA 0.626 4.946 4.320 0.000 0.000 0.255 151 K C -1.346 175.196 176.600 -0.097 0.000 0.934 151 K CA -0.430 55.839 56.287 -0.030 0.000 0.801 151 K CB 2.253 34.745 32.500 -0.014 0.000 1.137 151 K HN 0.441 nan 8.250 nan 0.000 0.424 152 F N 2.654 122.719 119.950 0.191 0.000 2.404 152 F HA 0.408 4.935 4.527 0.000 0.000 0.354 152 F C 0.264 176.202 175.800 0.231 0.000 1.122 152 F CA -0.693 57.415 58.000 0.180 0.000 1.080 152 F CB 0.914 39.972 39.000 0.097 0.000 1.131 152 F HN 0.119 nan 8.300 nan 0.000 0.471 153 L N 5.960 127.427 121.223 0.407 0.000 2.324 153 L HA 0.478 4.818 4.340 0.000 0.000 0.274 153 L C -0.784 176.288 176.870 0.336 0.000 1.012 153 L CA -0.391 54.667 54.840 0.364 0.000 0.859 153 L CB 0.952 43.199 42.059 0.314 0.000 1.224 153 L HN 0.464 nan 8.230 nan 0.000 0.429 154 L N 2.892 124.285 121.223 0.283 0.000 2.343 154 L HA 0.854 5.194 4.340 0.000 0.000 0.275 154 L C 0.218 177.242 176.870 0.257 0.000 1.056 154 L CA -0.475 54.505 54.840 0.234 0.000 0.804 154 L CB 1.797 43.953 42.059 0.162 0.000 1.203 154 L HN 0.644 nan 8.230 nan 0.000 0.440 155 A N 1.519 124.475 122.820 0.227 0.000 2.386 155 A HA 0.836 5.156 4.320 0.000 0.000 0.311 155 A C -0.561 177.124 177.584 0.168 0.000 1.068 155 A CA -0.467 51.698 52.037 0.214 0.000 0.743 155 A CB 2.114 21.222 19.000 0.180 0.000 1.258 155 A HN 0.629 nan 8.150 nan 0.000 0.429 156 T N -0.729 113.899 114.554 0.124 0.000 2.827 156 T HA 0.483 4.833 4.350 0.000 0.000 0.328 156 T C 0.375 175.062 174.700 -0.021 0.000 1.598 156 T CA 0.489 62.630 62.100 0.069 0.000 1.043 156 T CB 1.158 70.048 68.868 0.035 0.000 1.447 156 T HN 1.477 nan 8.240 nan 0.000 0.491 157 T N -0.662 113.835 114.554 -0.095 0.000 3.054 157 T HA 0.355 4.705 4.350 0.000 0.000 0.255 157 T C 0.003 174.608 174.700 -0.159 0.000 1.035 157 T CA 0.099 62.145 62.100 -0.090 0.000 0.941 157 T CB 0.043 68.895 68.868 -0.026 0.000 1.026 157 T HN 0.468 nan 8.240 nan 0.000 0.533 158 D N 1.636 121.843 120.400 -0.322 0.000 2.668 158 D HA 0.276 4.916 4.640 0.000 0.000 0.247 158 D C -1.974 174.168 176.300 -0.263 0.000 1.268 158 D CA -1.861 51.973 54.000 -0.276 0.000 0.842 158 D CB 1.760 42.387 40.800 -0.289 0.000 1.399 158 D HN -0.054 nan 8.370 nan 0.000 0.530 159 P HA -0.221 nan 4.420 nan 0.000 0.218 159 P C 1.415 178.687 177.300 -0.047 0.000 1.148 159 P CA 0.883 63.946 63.100 -0.062 0.000 0.822 159 P CB 0.468 32.158 31.700 -0.017 0.000 0.784 160 Q N 0.447 120.223 119.800 -0.041 0.000 2.181 160 Q HA -0.159 4.181 4.340 0.000 0.000 0.205 160 Q C 1.662 177.648 176.000 -0.023 0.000 0.980 160 Q CA 1.367 57.153 55.803 -0.028 0.000 0.862 160 Q CB -0.180 28.548 28.738 -0.016 0.000 0.905 160 Q HN 0.093 nan 8.270 nan 0.000 0.429 161 K N 0.182 120.579 120.400 -0.004 0.000 2.574 161 K HA 0.037 4.357 4.320 0.000 0.000 0.193 161 K C 0.426 177.039 176.600 0.021 0.000 1.035 161 K CA 0.370 56.694 56.287 0.062 0.000 0.982 161 K CB -0.080 32.553 32.500 0.221 0.000 0.795 161 K HN 0.299 nan 8.250 nan 0.000 0.491 162 L N 1.918 123.119 121.223 -0.036 0.000 2.343 162 L HA 0.255 4.595 4.340 0.000 0.000 0.275 162 L C -2.198 174.548 176.870 -0.206 0.000 1.056 162 L CA -2.235 52.519 54.840 -0.144 0.000 0.804 162 L CB 1.095 43.118 42.059 -0.059 0.000 1.203 162 L HN -0.203 nan 8.230 nan 0.000 0.440 163 P HA 0.006 nan 4.420 nan 0.000 0.268 163 P C 0.768 177.973 177.300 -0.158 0.000 1.204 163 P CA -0.301 62.649 63.100 -0.250 0.000 0.768 163 P CB 0.834 32.340 31.700 -0.323 0.000 0.842 164 V N 2.289 122.135 119.914 -0.114 0.000 2.688 164 V HA -0.247 3.873 4.120 0.000 0.000 0.256 164 V C 2.319 178.363 176.094 -0.083 0.000 1.084 164 V CA 2.583 64.831 62.300 -0.086 0.000 1.103 164 V CB -1.695 30.087 31.823 -0.068 0.000 0.688 164 V HN 0.753 nan 8.190 nan 0.000 0.480 165 T N -1.494 113.006 114.554 -0.089 0.000 2.737 165 T HA -0.112 4.238 4.350 0.000 0.000 0.265 165 T C 1.829 176.483 174.700 -0.077 0.000 1.038 165 T CA 1.599 63.654 62.100 -0.075 0.000 1.144 165 T CB -0.346 68.479 68.868 -0.073 0.000 0.866 165 T HN 0.395 nan 8.240 nan 0.000 0.434 166 I N 0.897 121.409 120.570 -0.096 0.000 2.193 166 I HA 0.042 4.212 4.170 0.000 0.000 0.240 166 I C 2.609 178.677 176.117 -0.082 0.000 1.084 166 I CA 0.970 62.218 61.300 -0.087 0.000 1.365 166 I CB -0.376 37.570 38.000 -0.090 0.000 1.064 166 I HN 0.200 nan 8.210 nan 0.000 0.410 167 L N 0.054 121.225 121.223 -0.088 0.000 2.127 167 L HA -0.235 4.105 4.340 0.000 0.000 0.211 167 L C 2.573 179.388 176.870 -0.091 0.000 1.089 167 L CA 1.497 56.287 54.840 -0.084 0.000 0.757 167 L CB -0.183 41.828 42.059 -0.079 0.000 0.899 167 L HN 0.173 nan 8.230 nan 0.000 0.434 168 S N -0.655 114.996 115.700 -0.081 0.000 2.481 168 S HA -0.104 4.366 4.470 0.000 0.000 0.231 168 S C 1.849 176.404 174.600 -0.076 0.000 0.996 168 S CA 0.775 58.929 58.200 -0.077 0.000 0.942 168 S CB -0.185 62.978 63.200 -0.061 0.000 0.768 168 S HN 0.447 nan 8.310 nan 0.000 0.520 169 R N -0.359 120.099 120.500 -0.070 0.000 2.334 169 R HA 0.346 4.686 4.340 0.000 0.000 0.216 169 R C 0.073 176.315 176.300 -0.098 0.000 0.905 169 R CA 0.046 56.117 56.100 -0.048 0.000 1.064 169 R CB -0.090 30.204 30.300 -0.009 0.000 1.046 169 R HN 0.344 nan 8.270 nan 0.000 0.508 170 C N -0.603 118.610 119.300 -0.145 0.000 2.407 170 C HA 0.476 4.936 4.460 0.000 0.000 0.366 170 C C -0.387 174.402 174.990 -0.336 0.000 1.213 170 C CA -1.111 57.777 59.018 -0.217 0.000 2.011 170 C CB 1.034 28.678 27.740 -0.160 0.000 2.306 170 C HN 0.177 nan 8.230 nan 0.000 0.527 171 L N 2.221 123.150 121.223 -0.489 0.000 2.272 171 L HA 0.315 4.655 4.340 0.000 0.000 0.284 171 L C 0.041 176.462 176.870 -0.748 0.000 1.045 171 L CA 0.620 55.044 54.840 -0.694 0.000 0.842 171 L CB 0.119 41.601 42.059 -0.960 0.000 1.224 171 L HN 0.665 nan 8.230 nan 0.000 0.430 172 Q N 3.652 123.085 119.800 -0.611 0.000 2.304 172 Q HA 0.331 4.671 4.340 0.000 0.000 0.260 172 Q C -1.327 174.309 176.000 -0.607 0.000 0.965 172 Q CA 0.304 55.823 55.803 -0.473 0.000 0.898 172 Q CB 1.034 29.632 28.738 -0.233 0.000 1.196 172 Q HN 0.372 nan 8.270 nan 0.000 0.402 173 F N 1.381 121.278 119.950 -0.088 0.000 2.577 173 F HA 0.120 4.647 4.527 0.000 0.000 0.344 173 F C -0.042 175.828 175.800 0.118 0.000 1.145 173 F CA -0.785 57.226 58.000 0.017 0.000 0.996 173 F CB 1.050 40.055 39.000 0.009 0.000 1.248 173 F HN 0.547 nan 8.300 nan 0.000 0.447 174 H N 5.409 124.635 119.070 0.260 0.000 3.109 174 H HA 0.268 4.824 4.556 0.000 0.000 0.266 174 H C -0.837 174.645 175.328 0.257 0.000 1.334 174 H CA -0.406 55.766 56.048 0.208 0.000 1.456 174 H CB 0.403 30.253 29.762 0.147 0.000 1.587 174 H HN 0.430 nan 8.280 nan 0.000 0.500 175 L N 5.913 127.153 121.223 0.029 0.000 2.369 175 L HA 0.072 4.412 4.340 0.000 0.000 0.279 175 L C 0.297 177.152 176.870 -0.025 0.000 1.108 175 L CA 0.157 55.030 54.840 0.054 0.000 0.852 175 L CB 0.427 42.495 42.059 0.016 0.000 1.169 175 L HN 0.537 nan 8.230 nan 0.000 0.452 176 K N 2.691 123.173 120.400 0.136 0.000 2.098 176 K HA 0.816 5.136 4.320 0.000 0.000 0.258 176 K C 0.240 176.875 176.600 0.059 0.000 0.973 176 K CA -0.637 55.718 56.287 0.113 0.000 0.898 176 K CB 0.832 33.438 32.500 0.177 0.000 1.057 176 K HN 0.480 nan 8.250 nan 0.000 0.447 177 A N 2.433 125.274 122.820 0.036 0.000 2.245 177 A HA 0.425 4.745 4.320 0.000 0.000 0.279 177 A C -0.318 177.277 177.584 0.018 0.000 1.290 177 A CA -0.098 51.949 52.037 0.016 0.000 0.819 177 A CB -0.085 18.922 19.000 0.012 0.000 1.173 177 A HN 0.613 nan 8.150 nan 0.000 0.508 178 L N -1.437 119.789 121.223 0.005 0.000 2.376 178 L HA 0.297 4.637 4.340 0.000 0.000 0.258 178 L C -0.215 176.652 176.870 -0.004 0.000 1.013 178 L CA -1.025 53.814 54.840 -0.001 0.000 0.822 178 L CB 1.649 43.700 42.059 -0.014 0.000 1.388 178 L HN 0.806 nan 8.230 nan 0.000 0.413 179 D N 0.257 120.652 120.400 -0.007 0.000 2.505 179 D HA -0.083 4.557 4.640 0.000 0.000 0.229 179 D C 0.860 177.158 176.300 -0.003 0.000 1.215 179 D CA 0.434 54.431 54.000 -0.006 0.000 0.880 179 D CB 1.307 42.101 40.800 -0.011 0.000 1.228 179 D HN 0.218 nan 8.370 nan 0.000 0.497 180 V N 2.448 122.362 119.914 0.000 0.000 2.719 180 V HA -0.140 3.980 4.120 0.000 0.000 0.252 180 V C 2.061 178.159 176.094 0.008 0.000 1.065 180 V CA 1.510 63.811 62.300 0.003 0.000 1.086 180 V CB -0.435 31.390 31.823 0.003 0.000 0.700 180 V HN 0.541 nan 8.190 nan 0.000 0.467 181 E N -0.542 119.664 120.200 0.010 0.000 2.481 181 E HA -0.143 4.207 4.350 0.000 0.000 0.195 181 E C 2.006 178.625 176.600 0.031 0.000 1.047 181 E CA 0.221 56.635 56.400 0.023 0.000 0.867 181 E CB 0.149 29.860 29.700 0.019 0.000 0.858 181 E HN 0.559 nan 8.360 nan 0.000 0.513 182 Q N 0.278 120.082 119.800 0.006 0.000 2.212 182 Q HA 0.042 4.382 4.340 0.000 0.000 0.199 182 Q C 1.859 177.863 176.000 0.006 0.000 0.950 182 Q CA 0.678 56.472 55.803 -0.015 0.000 0.863 182 Q CB 0.343 29.060 28.738 -0.035 0.000 0.944 182 Q HN 0.263 nan 8.270 nan 0.000 0.465 183 I N 0.317 120.890 120.570 0.006 0.000 2.617 183 I HA -0.192 3.978 4.170 0.000 0.000 0.256 183 I C 2.205 178.327 176.117 0.008 0.000 1.167 183 I CA 0.959 62.260 61.300 0.001 0.000 1.469 183 I CB -0.170 37.828 38.000 -0.004 0.000 1.098 183 I HN 0.178 nan 8.210 nan 0.000 0.436 184 R N 0.142 120.657 120.500 0.024 0.000 2.119 184 R HA -0.165 4.175 4.340 0.000 0.000 0.222 184 R C 2.418 178.735 176.300 0.028 0.000 1.088 184 R CA 1.306 57.417 56.100 0.018 0.000 0.984 184 R CB -0.712 29.603 30.300 0.025 0.000 0.884 184 R HN 0.319 nan 8.270 nan 0.000 0.447 185 H N 0.043 119.090 119.070 -0.039 0.000 2.495 185 H HA -0.012 4.544 4.556 0.000 0.000 0.287 185 H C 1.230 176.516 175.328 -0.071 0.000 1.033 185 H CA 1.426 57.449 56.048 -0.042 0.000 1.307 185 H CB 0.472 30.207 29.762 -0.045 0.000 1.401 185 H HN 0.347 nan 8.280 nan 0.000 0.555 186 Q N 0.224 120.076 119.800 0.086 0.000 2.376 186 Q HA 0.102 4.442 4.340 0.000 0.000 0.206 186 Q C 2.188 178.135 176.000 -0.088 0.000 0.921 186 Q CA 0.437 56.235 55.803 -0.007 0.000 0.911 186 Q CB 0.096 28.816 28.738 -0.030 0.000 1.032 186 Q HN 0.466 nan 8.270 nan 0.000 0.510 187 L N -0.221 120.949 121.223 -0.088 0.000 2.307 187 L HA 0.110 4.450 4.340 0.000 0.000 0.211 187 L C 2.138 178.869 176.870 -0.232 0.000 1.099 187 L CA 0.887 55.643 54.840 -0.140 0.000 0.816 187 L CB -0.156 41.844 42.059 -0.099 0.000 0.952 187 L HN 0.296 nan 8.230 nan 0.000 0.455 188 E N -0.591 119.495 120.200 -0.189 0.000 2.274 188 E HA -0.230 4.120 4.350 0.000 0.000 0.194 188 E C 2.036 178.496 176.600 -0.234 0.000 0.996 188 E CA 0.619 56.893 56.400 -0.209 0.000 0.840 188 E CB 0.187 29.816 29.700 -0.119 0.000 0.772 188 E HN 0.467 nan 8.360 nan 0.000 0.491 189 H N -0.091 118.758 119.070 -0.368 0.000 2.486 189 H HA 0.100 4.656 4.556 0.000 0.000 0.287 189 H C 1.965 176.816 175.328 -0.795 0.000 1.010 189 H CA 0.643 56.406 56.048 -0.476 0.000 1.324 189 H CB 0.372 29.890 29.762 -0.407 0.000 1.446 189 H HN 0.224 nan 8.280 nan 0.000 0.537 190 I N 0.636 120.820 120.570 -0.643 0.000 2.439 190 I HA -0.204 3.966 4.170 0.000 0.000 0.251 190 I C 2.086 178.010 176.117 -0.322 0.000 1.139 190 I CA 0.612 61.380 61.300 -0.886 0.000 1.438 190 I CB 0.027 37.797 38.000 -0.384 0.000 1.085 190 I HN 0.164 nan 8.210 nan 0.000 0.427 191 L N 0.353 121.418 121.223 -0.265 0.000 2.395 191 L HA -0.055 4.285 4.340 0.000 0.000 0.218 191 L C 2.019 178.893 176.870 0.006 0.000 1.130 191 L CA 0.434 55.192 54.840 -0.136 0.000 0.826 191 L CB -0.533 41.288 42.059 -0.395 0.000 0.941 191 L HN 0.290 nan 8.230 nan 0.000 0.451 192 N N 0.326 118.997 118.700 -0.048 0.000 2.216 192 N HA -0.194 4.547 4.740 0.000 0.000 0.183 192 N C 1.634 177.296 175.510 0.254 0.000 1.017 192 N CA 1.087 54.173 53.050 0.060 0.000 0.861 192 N CB 0.142 38.577 38.487 -0.086 0.000 0.986 192 N HN 0.403 nan 8.380 nan 0.000 0.428 193 E N 0.538 120.977 120.200 0.398 0.000 2.489 193 E HA -0.015 4.335 4.350 0.000 0.000 0.193 193 E C 0.524 177.303 176.600 0.299 0.000 1.057 193 E CA 0.266 56.997 56.400 0.551 0.000 0.866 193 E CB 0.339 30.753 29.700 1.190 0.000 0.916 193 E HN 0.175 nan 8.360 nan 0.000 0.500 194 E N -0.127 120.269 120.200 0.327 0.000 2.476 194 E HA 0.010 4.360 4.350 0.000 0.000 0.199 194 E C -0.483 176.204 176.600 0.145 0.000 1.021 194 E CA 0.087 56.572 56.400 0.140 0.000 0.907 194 E CB 0.124 29.942 29.700 0.197 0.000 0.974 194 E HN 0.411 nan 8.360 nan 0.000 0.489 195 H N 0.118 119.245 119.070 0.094 0.000 2.770 195 H HA -0.153 4.403 4.556 0.000 0.000 0.309 195 H C -0.204 175.165 175.328 0.069 0.000 1.206 195 H CA 0.061 56.150 56.048 0.069 0.000 1.147 195 H CB -1.831 27.959 29.762 0.047 0.000 1.422 195 H HN 0.148 nan 8.280 nan 0.000 0.420 196 I N 0.784 121.469 120.570 0.192 0.000 2.359 196 I HA 0.434 4.604 4.170 0.000 0.000 0.294 196 I C 0.922 177.154 176.117 0.192 0.000 0.987 196 I CA -0.540 60.845 61.300 0.142 0.000 1.225 196 I CB 1.574 39.629 38.000 0.093 0.000 1.366 196 I HN 0.267 nan 8.210 nan 0.000 0.466 197 A N 7.064 129.970 122.820 0.143 0.000 2.488 197 A HA 0.384 4.704 4.320 0.000 0.000 0.249 197 A C -0.266 177.431 177.584 0.189 0.000 1.083 197 A CA 0.202 52.316 52.037 0.127 0.000 0.768 197 A CB -0.151 18.881 19.000 0.053 0.000 1.017 197 A HN 0.881 nan 8.150 nan 0.000 0.496 198 H N 0.444 119.510 119.070 -0.006 0.000 3.079 198 H HA 0.540 5.096 4.556 0.000 0.000 0.356 198 H C -1.486 173.832 175.328 -0.016 0.000 1.221 198 H CA -0.921 55.121 56.048 -0.010 0.000 1.185 198 H CB 0.716 30.470 29.762 -0.014 0.000 1.882 198 H HN 0.618 nan 8.280 nan 0.000 0.543 199 E N 2.223 122.418 120.200 -0.007 0.000 2.204 199 E HA 0.229 4.580 4.350 0.000 0.000 0.276 199 E C -1.993 174.606 176.600 -0.002 0.000 0.974 199 E CA -2.098 54.267 56.400 -0.058 0.000 0.815 199 E CB 2.031 31.717 29.700 -0.023 0.000 1.119 199 E HN 0.356 nan 8.360 nan 0.000 0.393 200 P HA -0.136 nan 4.420 nan 0.000 0.223 200 P C 0.726 178.037 177.300 0.019 0.000 1.144 200 P CA 1.155 64.260 63.100 0.009 0.000 0.783 200 P CB 0.226 31.916 31.700 -0.018 0.000 0.771 201 R N -1.102 119.404 120.500 0.011 0.000 2.140 201 R HA 0.182 4.522 4.340 0.000 0.000 0.213 201 R C 2.181 178.492 176.300 0.018 0.000 1.059 201 R CA 0.967 57.073 56.100 0.010 0.000 1.000 201 R CB -0.660 29.641 30.300 0.002 0.000 0.910 201 R HN 0.126 nan 8.270 nan 0.000 0.455 202 A N 1.599 124.436 122.820 0.028 0.000 1.898 202 A HA -0.075 4.245 4.320 0.000 0.000 0.216 202 A C 2.097 179.699 177.584 0.030 0.000 1.181 202 A CA 1.012 53.068 52.037 0.030 0.000 0.620 202 A CB -0.474 18.552 19.000 0.043 0.000 0.819 202 A HN 0.145 nan 8.150 nan 0.000 0.442 203 L N -1.102 120.147 121.223 0.044 0.000 2.362 203 L HA -0.140 4.200 4.340 0.000 0.000 0.219 203 L C 2.576 179.454 176.870 0.014 0.000 1.134 203 L CA 1.140 55.995 54.840 0.025 0.000 0.807 203 L CB -0.326 41.755 42.059 0.036 0.000 0.927 203 L HN 0.399 nan 8.230 nan 0.000 0.447 204 Q N 0.148 119.958 119.800 0.017 0.000 2.354 204 Q HA 0.035 4.375 4.340 0.000 0.000 0.203 204 Q C 1.951 177.955 176.000 0.006 0.000 0.933 204 Q CA 0.858 56.667 55.803 0.011 0.000 0.901 204 Q CB 0.164 28.909 28.738 0.010 0.000 1.007 204 Q HN 0.465 nan 8.270 nan 0.000 0.495 205 L N -0.488 120.738 121.223 0.006 0.000 2.558 205 L HA 0.084 4.424 4.340 0.000 0.000 0.225 205 L C 1.382 178.253 176.870 0.001 0.000 1.128 205 L CA 0.299 55.141 54.840 0.003 0.000 0.868 205 L CB 0.079 42.140 42.059 0.003 0.000 1.006 205 L HN 0.215 nan 8.230 nan 0.000 0.454 206 L N -1.211 120.014 121.223 0.002 0.000 2.467 206 L HA 0.181 4.521 4.340 0.000 0.000 0.213 206 L C 2.615 179.484 176.870 -0.003 0.000 1.053 206 L CA 0.531 55.370 54.840 -0.001 0.000 0.847 206 L CB -0.239 41.818 42.059 -0.003 0.000 1.075 206 L HN 0.115 nan 8.230 nan 0.000 0.479 207 A N -0.023 122.796 122.820 -0.002 0.000 2.014 207 A HA -0.167 4.153 4.320 0.000 0.000 0.218 207 A C 2.246 179.830 177.584 -0.000 0.000 1.163 207 A CA 1.253 53.289 52.037 -0.002 0.000 0.652 207 A CB -0.281 18.720 19.000 0.001 0.000 0.808 207 A HN 0.200 nan 8.150 nan 0.000 0.449 208 R N -0.095 120.405 120.500 0.000 0.000 2.119 208 R HA 0.190 4.530 4.340 0.000 0.000 0.222 208 R C 2.093 178.392 176.300 -0.001 0.000 1.088 208 R CA 1.436 57.535 56.100 -0.000 0.000 0.984 208 R CB -0.705 29.595 30.300 -0.001 0.000 0.884 208 R HN 0.391 nan 8.270 nan 0.000 0.447 209 A N 0.806 123.625 122.820 -0.002 0.000 1.821 209 A HA 0.218 4.538 4.320 0.000 0.000 0.215 209 A C 1.108 178.691 177.584 -0.001 0.000 1.214 209 A CA 0.895 52.930 52.037 -0.002 0.000 0.608 209 A CB -1.306 17.692 19.000 -0.003 0.000 0.862 209 A HN 0.370 nan 8.150 nan 0.000 0.448 210 A N 0.912 123.731 122.820 -0.001 0.000 2.512 210 A HA 0.197 4.517 4.320 0.000 0.000 0.278 210 A C 0.318 177.902 177.584 -0.000 0.000 1.128 210 A CA 0.260 52.296 52.037 -0.001 0.000 0.818 210 A CB -0.793 18.206 19.000 -0.002 0.000 1.044 210 A HN 0.535 nan 8.150 nan 0.000 0.526 211 E N 2.740 122.940 120.200 0.001 0.000 1.795 211 E HA 0.311 4.661 4.350 0.000 0.000 0.261 211 E C 1.331 177.933 176.600 0.003 0.000 1.238 211 E CA 0.650 57.052 56.400 0.002 0.000 1.001 211 E CB -0.596 29.106 29.700 0.004 0.000 1.065 211 E HN 1.229 nan 8.360 nan 0.000 0.418 212 G N 3.403 112.204 108.800 0.002 0.000 2.155 212 G HA2 -0.310 3.650 3.960 0.000 0.000 0.257 212 G HA3 -0.310 3.650 3.960 0.000 0.000 0.257 212 G C -0.001 174.900 174.900 0.000 0.000 0.983 212 G CA 0.573 45.675 45.100 0.003 0.000 0.676 212 G HN 0.722 nan 8.290 nan 0.000 0.528 213 S N -1.409 114.290 115.700 -0.002 0.000 2.538 213 S HA 0.717 5.187 4.470 0.000 0.000 0.288 213 S C 0.577 175.173 174.600 -0.007 0.000 1.108 213 S CA -0.268 57.929 58.200 -0.004 0.000 0.971 213 S CB 2.283 65.482 63.200 -0.002 0.000 1.041 213 S HN 0.805 nan 8.310 nan 0.000 0.483 214 L N 2.083 123.299 121.223 -0.011 0.000 2.131 214 L HA 0.349 4.689 4.340 0.000 0.000 0.206 214 L C 2.573 179.439 176.870 -0.007 0.000 1.087 214 L CA 1.480 56.312 54.840 -0.012 0.000 0.767 214 L CB -0.731 41.317 42.059 -0.018 0.000 0.917 214 L HN 0.912 nan 8.230 nan 0.000 0.441 215 R N -0.319 120.177 120.500 -0.006 0.000 2.105 215 R HA -0.170 4.170 4.340 0.000 0.000 0.239 215 R C 1.825 178.125 176.300 0.001 0.000 1.135 215 R CA 1.842 57.941 56.100 -0.001 0.000 0.967 215 R CB -0.254 30.046 30.300 -0.001 0.000 0.861 215 R HN 0.425 nan 8.270 nan 0.000 0.442 216 D N -0.337 120.063 120.400 0.000 0.000 2.183 216 D HA -0.068 4.572 4.640 0.000 0.000 0.203 216 D C 1.647 177.946 176.300 -0.000 0.000 0.969 216 D CA 1.289 55.290 54.000 0.001 0.000 0.842 216 D CB -0.050 40.751 40.800 0.002 0.000 0.957 216 D HN 0.385 nan 8.370 nan 0.000 0.484 217 A N 1.086 123.904 122.820 -0.003 0.000 1.873 217 A HA -0.110 4.210 4.320 0.000 0.000 0.215 217 A C 2.396 179.976 177.584 -0.006 0.000 1.186 217 A CA 0.847 52.880 52.037 -0.006 0.000 0.616 217 A CB -0.805 18.189 19.000 -0.011 0.000 0.823 217 A HN 0.172 nan 8.150 nan 0.000 0.442 218 L N -0.643 120.578 121.223 -0.003 0.000 2.083 218 L HA -0.148 4.192 4.340 0.000 0.000 0.209 218 L C 2.855 179.729 176.870 0.006 0.000 1.083 218 L CA 1.528 56.370 54.840 0.003 0.000 0.752 218 L CB -0.459 41.607 42.059 0.012 0.000 0.899 218 L HN 0.490 nan 8.230 nan 0.000 0.433 219 S N -0.121 115.582 115.700 0.005 0.000 2.406 219 S HA -0.042 4.428 4.470 0.000 0.000 0.228 219 S C 1.969 176.572 174.600 0.004 0.000 1.020 219 S CA 0.716 58.919 58.200 0.006 0.000 0.965 219 S CB -0.051 63.153 63.200 0.006 0.000 0.798 219 S HN 0.297 nan 8.310 nan 0.000 0.488 220 L N 0.714 121.938 121.223 0.002 0.000 2.156 220 L HA -0.028 4.312 4.340 0.000 0.000 0.208 220 L C 2.535 179.406 176.870 0.001 0.000 1.095 220 L CA 1.306 56.147 54.840 0.001 0.000 0.770 220 L CB -0.550 41.509 42.059 -0.000 0.000 0.914 220 L HN 0.326 nan 8.230 nan 0.000 0.439 221 T N -1.595 112.958 114.554 -0.001 0.000 2.942 221 T HA -0.117 4.233 4.350 0.000 0.000 0.265 221 T C 1.319 176.021 174.700 0.005 0.000 1.062 221 T CA 0.832 62.931 62.100 -0.002 0.000 1.139 221 T CB -0.130 68.731 68.868 -0.012 0.000 0.883 221 T HN 0.232 nan 8.240 nan 0.000 0.468 222 D N 1.740 122.144 120.400 0.007 0.000 2.218 222 D HA -0.074 4.566 4.640 0.000 0.000 0.204 222 D C 2.320 178.626 176.300 0.009 0.000 0.976 222 D CA 0.956 54.962 54.000 0.010 0.000 0.853 222 D CB -0.068 40.739 40.800 0.011 0.000 0.939 222 D HN 0.594 nan 8.370 nan 0.000 0.481 223 Q N 0.241 120.045 119.800 0.007 0.000 2.123 223 Q HA 0.151 4.491 4.340 0.000 0.000 0.196 223 Q C 2.305 178.310 176.000 0.008 0.000 0.958 223 Q CA 0.917 56.724 55.803 0.007 0.000 0.841 223 Q CB -0.144 28.598 28.738 0.005 0.000 0.915 223 Q HN 0.131 nan 8.270 nan 0.000 0.455 224 A N 1.692 124.517 122.820 0.008 0.000 1.958 224 A HA -0.207 4.113 4.320 0.000 0.000 0.221 224 A C 2.109 179.702 177.584 0.014 0.000 1.178 224 A CA 1.402 53.445 52.037 0.010 0.000 0.642 224 A CB -0.738 18.268 19.000 0.010 0.000 0.816 224 A HN 0.346 nan 8.150 nan 0.000 0.453 225 I N -0.912 119.667 120.570 0.015 0.000 2.353 225 I HA -0.190 3.980 4.170 0.000 0.000 0.248 225 I C 2.917 179.044 176.117 0.015 0.000 1.119 225 I CA 0.880 62.191 61.300 0.018 0.000 1.417 225 I CB -0.297 37.714 38.000 0.019 0.000 1.078 225 I HN 0.366 nan 8.210 nan 0.000 0.421 226 A N 0.733 123.561 122.820 0.012 0.000 1.897 226 A HA -0.181 4.139 4.320 0.000 0.000 0.215 226 A C 2.484 180.074 177.584 0.010 0.000 1.181 226 A CA 1.959 54.003 52.037 0.010 0.000 0.620 226 A CB -0.692 18.314 19.000 0.009 0.000 0.821 226 A HN 0.497 nan 8.150 nan 0.000 0.443 227 S N -0.891 114.815 115.700 0.009 0.000 2.414 227 S HA 0.110 4.580 4.470 0.000 0.000 0.227 227 S C 1.745 176.350 174.600 0.009 0.000 1.022 227 S CA 1.067 59.272 58.200 0.008 0.000 0.958 227 S CB -0.606 62.598 63.200 0.007 0.000 0.797 227 S HN 0.633 nan 8.310 nan 0.000 0.493 228 G N 0.339 109.146 108.800 0.012 0.000 3.042 228 G HA2 0.149 4.109 3.960 0.000 0.000 0.212 228 G HA3 0.149 4.109 3.960 0.000 0.000 0.212 228 G C -0.039 174.869 174.900 0.014 0.000 1.166 228 G CA 0.039 45.147 45.100 0.013 0.000 0.767 228 G HN 0.456 nan 8.290 nan 0.000 0.546 229 D N -0.153 120.255 120.400 0.014 0.000 3.038 229 D HA -0.144 4.496 4.640 0.000 0.000 0.229 229 D C 1.434 177.744 176.300 0.018 0.000 1.182 229 D CA 1.674 55.683 54.000 0.014 0.000 0.852 229 D CB -1.121 39.686 40.800 0.011 0.000 0.932 229 D HN 0.818 nan 8.370 nan 0.000 0.406 230 G N 2.145 110.958 108.800 0.022 0.000 3.400 230 G HA2 -0.298 3.662 3.960 0.000 0.000 0.209 230 G HA3 -0.298 3.662 3.960 0.000 0.000 0.209 230 G C 0.238 175.161 174.900 0.037 0.000 1.411 230 G CA 0.393 45.510 45.100 0.028 0.000 0.917 230 G HN 0.576 nan 8.290 nan 0.000 0.570 231 Q N 0.051 119.872 119.800 0.035 0.000 2.256 231 Q HA 0.648 4.988 4.340 0.000 0.000 0.232 231 Q C -0.333 175.694 176.000 0.045 0.000 0.965 231 Q CA -0.442 55.387 55.803 0.044 0.000 0.908 231 Q CB 2.550 31.308 28.738 0.033 0.000 1.209 231 Q HN 0.305 nan 8.270 nan 0.000 0.489 232 V N 1.970 121.922 119.914 0.063 0.000 2.233 232 V HA 0.144 4.264 4.120 0.000 0.000 0.261 232 V C -0.388 175.740 176.094 0.057 0.000 1.076 232 V CA -0.468 61.867 62.300 0.058 0.000 1.001 232 V CB 0.029 31.892 31.823 0.067 0.000 1.206 232 V HN 0.799 nan 8.190 nan 0.000 0.468 233 S N 1.038 116.759 115.700 0.035 0.000 2.584 233 S HA 0.190 4.660 4.470 0.000 0.000 0.273 233 S C 1.258 175.869 174.600 0.018 0.000 1.311 233 S CA -0.258 57.955 58.200 0.023 0.000 1.034 233 S CB 1.377 64.585 63.200 0.014 0.000 0.939 233 S HN 0.495 nan 8.310 nan 0.000 0.513 234 T N 1.951 116.513 114.554 0.013 0.000 2.996 234 T HA -0.111 4.239 4.350 0.000 0.000 0.271 234 T C 1.583 176.286 174.700 0.005 0.000 1.126 234 T CA 1.501 63.606 62.100 0.009 0.000 1.103 234 T CB -0.283 68.588 68.868 0.004 0.000 0.870 234 T HN 0.697 nan 8.240 nan 0.000 0.528 235 Q N 0.182 119.986 119.800 0.005 0.000 2.204 235 Q HA 0.262 4.602 4.340 0.000 0.000 0.198 235 Q C 2.527 178.530 176.000 0.005 0.000 0.946 235 Q CA 0.832 56.638 55.803 0.004 0.000 0.859 235 Q CB -0.015 28.725 28.738 0.003 0.000 0.946 235 Q HN 0.497 nan 8.270 nan 0.000 0.474 236 A N -0.001 122.824 122.820 0.008 0.000 2.208 236 A HA 0.039 4.359 4.320 0.000 0.000 0.209 236 A C 1.830 179.419 177.584 0.008 0.000 1.161 236 A CA 0.507 52.549 52.037 0.009 0.000 0.782 236 A CB 0.183 19.190 19.000 0.012 0.000 0.816 236 A HN 0.161 nan 8.150 nan 0.000 0.477 237 V N -0.193 119.726 119.914 0.008 0.000 2.788 237 V HA -0.061 4.059 4.120 0.000 0.000 0.241 237 V C 2.363 178.459 176.094 0.002 0.000 1.083 237 V CA 1.601 63.906 62.300 0.007 0.000 1.103 237 V CB 0.003 31.832 31.823 0.010 0.000 0.800 237 V HN 0.670 nan 8.190 nan 0.000 0.476 238 S N 0.805 116.506 115.700 0.001 0.000 2.720 238 S HA 0.213 4.683 4.470 0.000 0.000 0.222 238 S C 1.595 176.192 174.600 -0.005 0.000 0.958 238 S CA 0.711 58.909 58.200 -0.003 0.000 0.943 238 S CB 0.152 63.349 63.200 -0.004 0.000 0.779 238 S HN 0.469 nan 8.310 nan 0.000 0.526 239 A N 2.320 125.138 122.820 -0.002 0.000 1.943 239 A HA 0.261 4.581 4.320 0.000 0.000 0.213 239 A C 2.139 179.721 177.584 -0.004 0.000 1.181 239 A CA 0.960 52.996 52.037 -0.002 0.000 0.653 239 A CB -0.401 18.600 19.000 0.001 0.000 0.833 239 A HN 0.703 nan 8.150 nan 0.000 0.451 240 M N -1.170 118.429 119.600 -0.003 0.000 2.530 240 M HA 0.368 4.848 4.480 0.000 0.000 0.245 240 M C -0.008 176.288 176.300 -0.007 0.000 1.198 240 M CA 0.501 55.798 55.300 -0.004 0.000 1.225 240 M CB -0.616 31.983 32.600 -0.001 0.000 1.232 240 M HN -0.005 nan 8.290 nan 0.000 0.494 241 L N 1.733 122.953 121.223 -0.006 0.000 2.265 241 L HA 0.572 4.912 4.340 0.000 0.000 0.288 241 L C 0.484 177.348 176.870 -0.010 0.000 1.058 241 L CA -0.377 54.458 54.840 -0.008 0.000 0.809 241 L CB 1.010 43.066 42.059 -0.005 0.000 1.179 241 L HN 0.553 nan 8.230 nan 0.000 0.429 242 G N 0.933 109.724 108.800 -0.015 0.000 2.830 242 G HA2 0.044 4.004 3.960 0.000 0.000 0.177 242 G HA3 0.044 4.004 3.960 0.000 0.000 0.177 242 G C 0.169 175.056 174.900 -0.021 0.000 1.649 242 G CA -0.102 44.989 45.100 -0.016 0.000 0.867 242 G HN 0.359 nan 8.290 nan 0.000 0.780 243 T N 2.670 117.206 114.554 -0.030 0.000 4.492 243 T HA 0.245 4.595 4.350 0.000 0.000 0.222 243 T C 1.451 176.128 174.700 -0.039 0.000 0.836 243 T CA 0.133 62.211 62.100 -0.036 0.000 0.900 243 T CB -0.348 68.490 68.868 -0.050 0.000 1.399 243 T HN 0.124 nan 8.240 nan 0.000 0.877 244 L N -0.062 121.144 121.223 -0.029 0.000 2.354 244 L HA 0.201 4.541 4.340 0.000 0.000 0.212 244 L C 0.528 177.384 176.870 -0.023 0.000 1.091 244 L CA 0.673 55.497 54.840 -0.027 0.000 0.828 244 L CB 0.281 42.328 42.059 -0.020 0.000 0.973 244 L HN 0.275 nan 8.230 nan 0.000 0.461 245 D N 1.206 121.594 120.400 -0.020 0.000 2.344 245 D HA 0.257 4.897 4.640 0.000 0.000 0.239 245 D C -0.977 175.311 176.300 -0.020 0.000 1.064 245 D CA -0.100 53.889 54.000 -0.017 0.000 0.829 245 D CB 1.887 42.680 40.800 -0.011 0.000 1.129 245 D HN 0.100 nan 8.370 nan 0.000 0.506 246 D N 1.335 121.722 120.400 -0.022 0.000 2.788 246 D HA 0.130 4.770 4.640 0.000 0.000 0.247 246 D C -0.134 176.155 176.300 -0.018 0.000 1.236 246 D CA -0.447 53.539 54.000 -0.022 0.000 0.898 246 D CB 1.697 42.477 40.800 -0.032 0.000 1.401 246 D HN -0.084 nan 8.370 nan 0.000 0.549 247 D N 1.854 122.245 120.400 -0.014 0.000 2.219 247 D HA -0.144 4.496 4.640 0.000 0.000 0.205 247 D C 1.696 177.989 176.300 -0.011 0.000 0.970 247 D CA 1.239 55.233 54.000 -0.011 0.000 0.851 247 D CB 0.323 41.117 40.800 -0.009 0.000 0.943 247 D HN 0.561 nan 8.370 nan 0.000 0.488 248 Q N 0.561 120.354 119.800 -0.012 0.000 2.016 248 Q HA -0.055 4.285 4.340 0.000 0.000 0.200 248 Q C 2.324 178.317 176.000 -0.012 0.000 0.978 248 Q CA 1.236 57.032 55.803 -0.011 0.000 0.833 248 Q CB -0.239 28.493 28.738 -0.010 0.000 0.895 248 Q HN 0.211 nan 8.270 nan 0.000 0.427 249 A N 1.140 123.951 122.820 -0.016 0.000 2.004 249 A HA -0.307 4.013 4.320 0.000 0.000 0.229 249 A C 2.004 179.584 177.584 -0.007 0.000 1.455 249 A CA 2.128 54.157 52.037 -0.013 0.000 0.709 249 A CB -1.170 17.821 19.000 -0.014 0.000 0.835 249 A HN 0.359 nan 8.150 nan 0.000 0.514 250 L N -1.472 119.746 121.223 -0.009 0.000 2.034 250 L HA -0.102 4.238 4.340 0.000 0.000 0.203 250 L C 2.839 179.700 176.870 -0.015 0.000 1.074 250 L CA 1.279 56.113 54.840 -0.011 0.000 0.748 250 L CB -0.718 41.335 42.059 -0.010 0.000 0.905 250 L HN 0.372 nan 8.230 nan 0.000 0.439 251 S N 0.540 116.233 115.700 -0.011 0.000 2.399 251 S HA -0.289 4.181 4.470 0.000 0.000 0.235 251 S C 1.947 176.540 174.600 -0.011 0.000 1.063 251 S CA 1.781 59.976 58.200 -0.010 0.000 1.070 251 S CB -0.618 62.579 63.200 -0.005 0.000 0.904 251 S HN 0.319 nan 8.310 nan 0.000 0.456 252 L N 1.231 122.449 121.223 -0.008 0.000 2.131 252 L HA -0.101 4.239 4.340 0.000 0.000 0.210 252 L C 2.059 178.913 176.870 -0.027 0.000 1.092 252 L CA 0.984 55.822 54.840 -0.005 0.000 0.759 252 L CB -0.216 41.849 42.059 0.009 0.000 0.903 252 L HN 0.208 nan 8.230 nan 0.000 0.435 253 V N -0.372 119.517 119.914 -0.042 0.000 2.323 253 V HA -0.238 3.882 4.120 0.000 0.000 0.244 253 V C 2.281 178.307 176.094 -0.113 0.000 1.041 253 V CA 1.796 64.043 62.300 -0.088 0.000 1.025 253 V CB -0.606 31.172 31.823 -0.075 0.000 0.656 253 V HN 0.458 nan 8.190 nan 0.000 0.451 254 E N 1.071 121.231 120.200 -0.067 0.000 2.033 254 E HA -0.263 4.087 4.350 0.000 0.000 0.199 254 E C 2.276 178.852 176.600 -0.040 0.000 1.011 254 E CA 1.555 57.924 56.400 -0.052 0.000 0.815 254 E CB -0.456 29.229 29.700 -0.025 0.000 0.755 254 E HN 0.561 nan 8.360 nan 0.000 0.451 255 A N 1.116 123.923 122.820 -0.021 0.000 2.186 255 A HA -0.180 4.140 4.320 0.000 0.000 0.219 255 A C 1.999 179.585 177.584 0.004 0.000 1.159 255 A CA 1.190 53.228 52.037 0.002 0.000 0.680 255 A CB -0.480 18.526 19.000 0.009 0.000 0.787 255 A HN 0.265 nan 8.150 nan 0.000 0.467 256 M N -0.513 119.056 119.600 -0.051 0.000 2.191 256 M HA -0.045 4.435 4.480 0.000 0.000 0.262 256 M C 1.646 177.863 176.300 -0.138 0.000 1.083 256 M CA 1.643 56.887 55.300 -0.092 0.000 1.154 256 M CB -0.059 32.431 32.600 -0.184 0.000 1.344 256 M HN 0.195 nan 8.290 nan 0.000 0.431 257 V N 0.729 120.499 119.914 -0.240 0.000 2.913 257 V HA -0.170 3.950 4.120 0.000 0.000 0.260 257 V C 1.476 177.699 176.094 0.215 0.000 1.098 257 V CA 1.440 63.627 62.300 -0.188 0.000 1.121 257 V CB -1.026 30.673 31.823 -0.206 0.000 0.714 257 V HN 0.514 nan 8.190 nan 0.000 0.487 258 E N -0.087 120.201 120.200 0.147 0.000 2.478 258 E HA 0.330 4.681 4.350 0.000 0.000 0.194 258 E C 1.652 178.345 176.600 0.155 0.000 1.045 258 E CA 0.529 57.010 56.400 0.135 0.000 0.868 258 E CB 0.088 29.825 29.700 0.061 0.000 0.885 258 E HN 0.504 nan 8.360 nan 0.000 0.505 259 A N 1.411 124.402 122.820 0.286 0.000 3.420 259 A HA -0.234 4.086 4.320 0.000 0.000 0.269 259 A C 0.369 178.015 177.584 0.103 0.000 1.122 259 A CA 0.860 53.029 52.037 0.219 0.000 1.023 259 A CB -2.028 16.943 19.000 -0.048 0.000 1.099 259 A HN 0.342 nan 8.150 nan 0.000 0.860 260 N N 0.890 119.636 118.700 0.077 0.000 2.950 260 N HA 0.195 4.935 4.740 0.000 0.000 0.313 260 N C 1.505 177.045 175.510 0.050 0.000 1.213 260 N CA 0.934 54.013 53.050 0.048 0.000 1.184 260 N CB -0.169 38.340 38.487 0.036 0.000 1.454 260 N HN 0.712 nan 8.380 nan 0.000 0.532 261 G N 1.872 110.706 108.800 0.057 0.000 2.550 261 G HA2 -0.342 3.618 3.960 0.000 0.000 0.222 261 G HA3 -0.342 3.618 3.960 0.000 0.000 0.222 261 G C 1.386 176.311 174.900 0.042 0.000 1.113 261 G CA 1.007 46.140 45.100 0.054 0.000 0.748 261 G HN 0.629 nan 8.290 nan 0.000 0.585 262 E N 0.190 120.411 120.200 0.034 0.000 2.038 262 E HA -0.209 4.141 4.350 0.000 0.000 0.195 262 E C 2.482 179.100 176.600 0.029 0.000 1.000 262 E CA 1.187 57.605 56.400 0.029 0.000 0.803 262 E CB -0.313 29.401 29.700 0.023 0.000 0.750 262 E HN 0.331 nan 8.360 nan 0.000 0.448 263 R N 1.594 122.111 120.500 0.028 0.000 2.073 263 R HA -0.097 4.243 4.340 0.000 0.000 0.234 263 R C 2.328 178.646 176.300 0.031 0.000 1.134 263 R CA 1.482 57.598 56.100 0.026 0.000 0.952 263 R CB -0.961 29.353 30.300 0.022 0.000 0.850 263 R HN 0.179 nan 8.270 nan 0.000 0.433 264 V N 0.968 120.904 119.914 0.036 0.000 2.222 264 V HA -0.407 3.713 4.120 0.000 0.000 0.252 264 V C 2.388 178.512 176.094 0.049 0.000 1.060 264 V CA 2.418 64.743 62.300 0.041 0.000 1.027 264 V CB -0.545 31.306 31.823 0.047 0.000 0.644 264 V HN 0.336 nan 8.190 nan 0.000 0.448 265 M N -0.290 119.339 119.600 0.048 0.000 2.159 265 M HA -0.122 4.358 4.480 0.000 0.000 0.263 265 M C 2.375 178.707 176.300 0.054 0.000 1.063 265 M CA 2.207 57.539 55.300 0.053 0.000 1.110 265 M CB -1.670 30.955 32.600 0.043 0.000 1.374 265 M HN 0.452 nan 8.290 nan 0.000 0.411 266 A N 0.514 123.360 122.820 0.044 0.000 1.972 266 A HA -0.089 4.231 4.320 0.000 0.000 0.219 266 A C 2.319 179.928 177.584 0.042 0.000 1.169 266 A CA 1.189 53.249 52.037 0.039 0.000 0.635 266 A CB -0.812 18.205 19.000 0.029 0.000 0.810 266 A HN 0.496 nan 8.150 nan 0.000 0.446 267 L N -0.771 120.478 121.223 0.043 0.000 2.109 267 L HA -0.096 4.244 4.340 0.000 0.000 0.207 267 L C 2.439 179.345 176.870 0.059 0.000 1.086 267 L CA 0.855 55.718 54.840 0.039 0.000 0.760 267 L CB -0.544 41.534 42.059 0.032 0.000 0.910 267 L HN 0.338 nan 8.230 nan 0.000 0.437 268 I N 0.366 120.992 120.570 0.092 0.000 2.113 268 I HA -0.312 3.858 4.170 0.000 0.000 0.238 268 I C 2.314 178.542 176.117 0.184 0.000 1.070 268 I CA 1.690 63.089 61.300 0.166 0.000 1.332 268 I CB -0.365 37.742 38.000 0.177 0.000 1.044 268 I HN 0.330 nan 8.210 nan 0.000 0.402 269 N N 0.773 119.552 118.700 0.131 0.000 2.289 269 N HA -0.249 4.491 4.740 0.000 0.000 0.184 269 N C 1.768 177.332 175.510 0.090 0.000 1.016 269 N CA 1.288 54.409 53.050 0.118 0.000 0.872 269 N CB -0.037 38.495 38.487 0.076 0.000 0.973 269 N HN 0.329 nan 8.380 nan 0.000 0.433 270 E N -0.874 119.364 120.200 0.063 0.000 2.152 270 E HA -0.055 4.295 4.350 0.000 0.000 0.192 270 E C 1.649 178.260 176.600 0.017 0.000 0.983 270 E CA 0.854 57.275 56.400 0.035 0.000 0.818 270 E CB -0.092 29.622 29.700 0.023 0.000 0.758 270 E HN 0.452 nan 8.360 nan 0.000 0.467 271 A N 1.116 123.945 122.820 0.014 0.000 1.898 271 A HA 0.089 4.409 4.320 0.000 0.000 0.214 271 A C 2.386 179.917 177.584 -0.088 0.000 1.183 271 A CA 1.204 53.206 52.037 -0.060 0.000 0.622 271 A CB -0.613 18.330 19.000 -0.096 0.000 0.824 271 A HN 0.366 nan 8.150 nan 0.000 0.444 272 A N 0.013 122.863 122.820 0.051 0.000 2.032 272 A HA 0.111 4.431 4.320 0.000 0.000 0.221 272 A C 2.228 179.865 177.584 0.089 0.000 1.165 272 A CA 1.900 54.042 52.037 0.175 0.000 0.645 272 A CB -0.774 18.480 19.000 0.425 0.000 0.807 272 A HN 1.103 nan 8.150 nan 0.000 0.453 273 A N -0.197 122.654 122.820 0.051 0.000 2.235 273 A HA 0.065 4.385 4.320 0.000 0.000 0.208 273 A C 1.738 179.323 177.584 0.001 0.000 1.172 273 A CA 0.873 52.929 52.037 0.032 0.000 0.786 273 A CB -0.357 18.661 19.000 0.030 0.000 0.804 273 A HN 0.702 nan 8.150 nan 0.000 0.479 274 R N -1.327 119.153 120.500 -0.034 0.000 2.596 274 R HA 0.393 4.733 4.340 0.000 0.000 0.369 274 R C 0.582 176.833 176.300 -0.082 0.000 1.042 274 R CA 0.199 56.268 56.100 -0.053 0.000 1.120 274 R CB -0.730 29.533 30.300 -0.063 0.000 1.353 274 R HN 0.598 nan 8.270 nan 0.000 0.564 275 G N 2.339 111.091 108.800 -0.080 0.000 2.349 275 G HA2 -0.234 3.726 3.960 0.000 0.000 0.223 275 G HA3 -0.234 3.726 3.960 0.000 0.000 0.223 275 G C -0.409 174.363 174.900 -0.213 0.000 0.736 275 G CA -0.052 44.987 45.100 -0.101 0.000 1.073 275 G HN 0.391 nan 8.290 nan 0.000 0.308 276 I N 0.969 121.277 120.570 -0.437 0.000 2.433 276 I HA 0.271 4.441 4.170 0.000 0.000 0.292 276 I C 0.528 176.247 176.117 -0.664 0.000 1.001 276 I CA -1.062 59.897 61.300 -0.569 0.000 1.119 276 I CB 1.910 39.465 38.000 -0.742 0.000 1.289 276 I HN 0.546 nan 8.210 nan 0.000 0.438 277 E N 5.539 125.538 120.200 -0.335 0.000 1.939 277 E HA -0.065 4.285 4.350 0.000 0.000 0.259 277 E C 0.148 176.638 176.600 -0.184 0.000 1.259 277 E CA 0.164 56.461 56.400 -0.172 0.000 0.971 277 E CB 0.102 29.756 29.700 -0.077 0.000 1.055 277 E HN 0.388 nan 8.360 nan 0.000 0.420 278 W N 3.139 124.440 121.300 0.001 0.000 2.313 278 W HA -0.243 4.417 4.660 0.000 0.000 0.293 278 W C 2.006 178.527 176.519 0.002 0.000 1.216 278 W CA 1.512 58.858 57.345 0.002 0.000 1.223 278 W CB -0.085 29.376 29.460 0.002 0.000 1.138 278 W HN 0.653 nan 8.180 nan 0.000 0.535 279 E N 0.260 120.568 120.200 0.181 0.000 2.072 279 E HA -0.152 4.198 4.350 0.000 0.000 0.190 279 E C 2.359 178.992 176.600 0.055 0.000 0.982 279 E CA 1.120 57.585 56.400 0.108 0.000 0.803 279 E CB -0.338 29.410 29.700 0.080 0.000 0.755 279 E HN 0.125 nan 8.360 nan 0.000 0.453 280 A N 1.157 123.988 122.820 0.018 0.000 1.997 280 A HA -0.211 4.109 4.320 0.000 0.000 0.221 280 A C 2.072 179.650 177.584 -0.009 0.000 1.172 280 A CA 1.330 53.363 52.037 -0.008 0.000 0.645 280 A CB -0.581 18.395 19.000 -0.039 0.000 0.813 280 A HN 0.382 nan 8.150 nan 0.000 0.454 281 L N -0.669 120.547 121.223 -0.012 0.000 2.007 281 L HA 0.008 4.348 4.340 0.000 0.000 0.205 281 L C 2.288 179.177 176.870 0.032 0.000 1.073 281 L CA 1.657 56.494 54.840 -0.005 0.000 0.744 281 L CB -0.729 41.324 42.059 -0.011 0.000 0.898 281 L HN 0.382 nan 8.230 nan 0.000 0.435 282 L N -1.277 119.981 121.223 0.059 0.000 2.197 282 L HA -0.276 4.064 4.340 0.000 0.000 0.215 282 L C 2.257 179.156 176.870 0.047 0.000 1.095 282 L CA 1.005 55.880 54.840 0.058 0.000 0.764 282 L CB -0.424 41.674 42.059 0.064 0.000 0.897 282 L HN 0.192 nan 8.230 nan 0.000 0.436 283 V N -0.986 118.952 119.914 0.040 0.000 2.346 283 V HA -0.208 3.912 4.120 0.000 0.000 0.244 283 V C 2.266 178.390 176.094 0.050 0.000 1.037 283 V CA 1.512 63.836 62.300 0.041 0.000 1.029 283 V CB -0.392 31.448 31.823 0.029 0.000 0.663 283 V HN 0.411 nan 8.190 nan 0.000 0.454 284 E N -0.046 120.175 120.200 0.035 0.000 2.058 284 E HA -0.261 4.089 4.350 0.000 0.000 0.194 284 E C 2.245 178.873 176.600 0.047 0.000 0.997 284 E CA 1.762 58.182 56.400 0.033 0.000 0.801 284 E CB -0.228 29.480 29.700 0.013 0.000 0.746 284 E HN 0.537 nan 8.360 nan 0.000 0.450 285 M N 0.324 119.954 119.600 0.049 0.000 2.067 285 M HA -0.171 4.309 4.480 0.000 0.000 0.260 285 M C 2.451 178.815 176.300 0.106 0.000 1.069 285 M CA 1.347 56.682 55.300 0.058 0.000 1.117 285 M CB -0.346 32.282 32.600 0.047 0.000 1.334 285 M HN 0.122 nan 8.290 nan 0.000 0.407 286 L N -0.223 121.080 121.223 0.133 0.000 2.079 286 L HA -0.158 4.182 4.340 0.000 0.000 0.210 286 L C 2.591 179.628 176.870 0.278 0.000 1.081 286 L CA 1.315 56.303 54.840 0.247 0.000 0.752 286 L CB -0.988 41.170 42.059 0.166 0.000 0.896 286 L HN 0.443 nan 8.230 nan 0.000 0.433 287 G N -0.734 108.168 108.800 0.169 0.000 2.464 287 G HA2 -0.094 3.866 3.960 0.000 0.000 0.217 287 G HA3 -0.094 3.866 3.960 0.000 0.000 0.217 287 G C 1.573 176.551 174.900 0.130 0.000 1.138 287 G CA 0.168 45.360 45.100 0.153 0.000 0.793 287 G HN 0.232 nan 8.290 nan 0.000 0.539 288 L N -0.355 120.923 121.223 0.091 0.000 2.162 288 L HA 0.258 4.598 4.340 0.000 0.000 0.205 288 L C 2.597 179.490 176.870 0.038 0.000 1.086 288 L CA 0.132 55.001 54.840 0.048 0.000 0.778 288 L CB -0.233 41.844 42.059 0.031 0.000 0.928 288 L HN 0.110 nan 8.230 nan 0.000 0.446 289 L N -0.516 120.751 121.223 0.073 0.000 2.265 289 L HA -0.249 4.091 4.340 0.000 0.000 0.215 289 L C 2.581 179.435 176.870 -0.027 0.000 1.117 289 L CA 1.030 55.906 54.840 0.060 0.000 0.782 289 L CB -0.163 41.997 42.059 0.169 0.000 0.914 289 L HN 0.383 nan 8.230 nan 0.000 0.441 290 H N -0.338 118.644 119.070 -0.147 0.000 2.355 290 H HA -0.124 4.432 4.556 0.000 0.000 0.303 290 H C 2.277 177.518 175.328 -0.144 0.000 1.061 290 H CA 1.425 57.310 56.048 -0.273 0.000 1.368 290 H CB 0.111 29.742 29.762 -0.219 0.000 1.412 290 H HN 0.050 nan 8.280 nan 0.000 0.523 291 R N -0.022 120.398 120.500 -0.135 0.000 2.293 291 R HA -0.030 4.310 4.340 0.000 0.000 0.219 291 R C 1.337 177.548 176.300 -0.148 0.000 1.091 291 R CA 1.292 57.294 56.100 -0.163 0.000 1.004 291 R CB -0.169 30.102 30.300 -0.048 0.000 0.865 291 R HN 0.459 nan 8.270 nan 0.000 0.469 292 I N -0.796 119.698 120.570 -0.126 0.000 3.081 292 I HA 0.039 4.209 4.170 0.000 0.000 0.274 292 I C 2.046 178.100 176.117 -0.105 0.000 1.178 292 I CA 0.462 61.710 61.300 -0.088 0.000 1.460 292 I CB -0.000 37.972 38.000 -0.046 0.000 1.137 292 I HN 0.135 nan 8.210 nan 0.000 0.443 293 A N 0.661 123.388 122.820 -0.154 0.000 2.168 293 A HA -0.048 4.272 4.320 0.000 0.000 0.215 293 A C 2.267 179.755 177.584 -0.160 0.000 1.152 293 A CA 1.122 53.074 52.037 -0.142 0.000 0.716 293 A CB -0.323 18.574 19.000 -0.171 0.000 0.794 293 A HN 0.321 nan 8.150 nan 0.000 0.465 294 M N -1.242 118.232 119.600 -0.210 0.000 2.412 294 M HA -0.020 4.460 4.480 0.000 0.000 0.263 294 M C 1.842 178.077 176.300 -0.108 0.000 1.122 294 M CA 0.888 56.080 55.300 -0.180 0.000 1.179 294 M CB -0.198 32.254 32.600 -0.247 0.000 1.335 294 M HN 0.171 nan 8.290 nan 0.000 0.465 295 V N 0.444 120.301 119.914 -0.095 0.000 2.867 295 V HA -0.206 3.914 4.120 0.000 0.000 0.260 295 V C 1.977 178.042 176.094 -0.048 0.000 1.099 295 V CA 1.275 63.538 62.300 -0.061 0.000 1.122 295 V CB -0.945 30.848 31.823 -0.050 0.000 0.708 295 V HN 0.514 nan 8.190 nan 0.000 0.490 296 Q N -0.640 119.128 119.800 -0.054 0.000 2.329 296 Q HA 0.061 4.401 4.340 0.000 0.000 0.208 296 Q C 0.982 176.961 176.000 -0.034 0.000 0.934 296 Q CA 0.411 56.192 55.803 -0.037 0.000 0.951 296 Q CB 0.424 29.142 28.738 -0.034 0.000 1.017 296 Q HN 0.497 nan 8.270 nan 0.000 0.490 297 L N -1.269 119.931 121.223 -0.039 0.000 3.679 297 L HA 0.194 4.534 4.340 0.000 0.000 0.342 297 L C -0.639 176.213 176.870 -0.028 0.000 1.170 297 L CA 0.515 55.336 54.840 -0.032 0.000 1.221 297 L CB 0.754 42.791 42.059 -0.037 0.000 1.654 297 L HN 0.051 nan 8.230 nan 0.000 0.628 298 S N -1.232 114.449 115.700 -0.033 0.000 2.584 298 S HA 0.505 4.975 4.470 0.000 0.000 0.280 298 S C -2.483 172.099 174.600 -0.030 0.000 1.162 298 S CA -0.559 57.624 58.200 -0.028 0.000 0.951 298 S CB 1.703 64.886 63.200 -0.029 0.000 1.108 298 S HN -0.034 nan 8.310 nan 0.000 0.464 299 P HA 0.063 nan 4.420 nan 0.000 0.222 299 P C 0.990 178.277 177.300 -0.022 0.000 1.153 299 P CA 0.936 64.023 63.100 -0.021 0.000 0.798 299 P CB -0.145 31.546 31.700 -0.016 0.000 0.796 300 A N 0.131 122.938 122.820 -0.021 0.000 2.233 300 A HA 0.356 4.676 4.320 0.000 0.000 0.230 300 A C 1.579 179.148 177.584 -0.024 0.000 1.347 300 A CA 0.412 52.437 52.037 -0.019 0.000 1.087 300 A CB -1.273 17.717 19.000 -0.016 0.000 0.871 300 A HN 0.203 nan 8.150 nan 0.000 0.519 301 A N -0.184 122.618 122.820 -0.030 0.000 2.532 301 A HA 0.545 4.865 4.320 0.000 0.000 0.273 301 A C 0.209 177.774 177.584 -0.032 0.000 1.342 301 A CA -0.133 51.881 52.037 -0.038 0.000 0.929 301 A CB -0.200 18.766 19.000 -0.057 0.000 1.051 301 A HN 0.435 nan 8.150 nan 0.000 0.521 302 L N 0.624 121.833 121.223 -0.023 0.000 2.295 302 L HA 0.430 4.770 4.340 0.000 0.000 0.281 302 L C 1.264 178.126 176.870 -0.013 0.000 1.018 302 L CA -0.777 54.053 54.840 -0.018 0.000 0.841 302 L CB 1.389 43.438 42.059 -0.015 0.000 1.218 302 L HN 0.448 nan 8.230 nan 0.000 0.424 303 G N 2.509 111.302 108.800 -0.011 0.000 2.421 303 G HA2 -0.149 3.811 3.960 0.000 0.000 0.238 303 G HA3 -0.149 3.811 3.960 0.000 0.000 0.238 303 G C 0.869 175.766 174.900 -0.006 0.000 1.544 303 G CA 0.572 45.668 45.100 -0.007 0.000 1.044 303 G HN 0.784 nan 8.290 nan 0.000 0.537 304 N N -0.943 117.755 118.700 -0.004 0.000 2.220 304 N HA -0.018 4.722 4.740 0.000 0.000 0.182 304 N C 1.164 176.672 175.510 -0.003 0.000 1.023 304 N CA 1.425 54.473 53.050 -0.003 0.000 0.856 304 N CB 0.046 38.532 38.487 -0.002 0.000 0.997 304 N HN 0.314 nan 8.380 nan 0.000 0.429 305 D N -0.877 119.522 120.400 -0.002 0.000 2.424 305 D HA 0.133 4.773 4.640 0.000 0.000 0.220 305 D C 0.534 176.832 176.300 -0.003 0.000 1.150 305 D CA -0.046 53.952 54.000 -0.002 0.000 0.831 305 D CB 0.184 40.984 40.800 -0.001 0.000 0.981 305 D HN 0.133 nan 8.370 nan 0.000 0.500 306 M N 0.183 119.780 119.600 -0.004 0.000 2.633 306 M HA 0.125 4.605 4.480 0.000 0.000 0.226 306 M C 1.772 178.069 176.300 -0.006 0.000 1.137 306 M CA -0.088 55.209 55.300 -0.005 0.000 1.020 306 M CB -0.654 31.942 32.600 -0.008 0.000 1.675 306 M HN -0.008 nan 8.290 nan 0.000 0.500 307 A N 1.080 123.897 122.820 -0.005 0.000 1.841 307 A HA -0.118 4.202 4.320 0.000 0.000 0.216 307 A C 2.438 180.019 177.584 -0.004 0.000 1.199 307 A CA 2.393 54.428 52.037 -0.005 0.000 0.621 307 A CB -1.032 17.966 19.000 -0.004 0.000 0.835 307 A HN 0.463 nan 8.150 nan 0.000 0.445 308 A N -0.388 122.430 122.820 -0.004 0.000 1.927 308 A HA -0.188 4.132 4.320 0.000 0.000 0.220 308 A C 2.135 179.717 177.584 -0.005 0.000 1.185 308 A CA 2.017 54.052 52.037 -0.004 0.000 0.639 308 A CB -0.745 18.253 19.000 -0.004 0.000 0.820 308 A HN 0.577 nan 8.150 nan 0.000 0.451 309 I N -1.811 118.756 120.570 -0.005 0.000 2.296 309 I HA -0.142 4.028 4.170 0.000 0.000 0.242 309 I C 1.955 178.068 176.117 -0.007 0.000 1.087 309 I CA 0.969 62.266 61.300 -0.006 0.000 1.393 309 I CB -0.718 37.278 38.000 -0.007 0.000 1.093 309 I HN 0.389 nan 8.210 nan 0.000 0.421 310 E N 0.500 120.696 120.200 -0.007 0.000 2.950 310 E HA -0.418 3.933 4.350 0.000 0.000 0.208 310 E C 1.834 178.430 176.600 -0.008 0.000 0.906 310 E CA 2.600 58.995 56.400 -0.008 0.000 1.607 310 E CB -1.058 28.637 29.700 -0.007 0.000 1.582 310 E HN 0.323 nan 8.360 nan 0.000 0.440 311 L N 1.315 122.534 121.223 -0.006 0.000 1.957 311 L HA -0.275 4.065 4.340 0.000 0.000 0.228 311 L C 2.480 179.346 176.870 -0.006 0.000 1.086 311 L CA 2.615 57.452 54.840 -0.005 0.000 0.796 311 L CB -0.549 41.508 42.059 -0.004 0.000 0.900 311 L HN 0.172 nan 8.230 nan 0.000 0.439 312 R N -1.368 119.129 120.500 -0.006 0.000 2.159 312 R HA -0.264 4.076 4.340 0.000 0.000 0.252 312 R C 2.122 178.417 176.300 -0.008 0.000 1.144 312 R CA 1.991 58.087 56.100 -0.006 0.000 0.961 312 R CB -0.701 29.595 30.300 -0.007 0.000 0.877 312 R HN 0.437 nan 8.270 nan 0.000 0.444 313 M N 0.351 119.945 119.600 -0.010 0.000 2.150 313 M HA -0.091 4.389 4.480 0.000 0.000 0.260 313 M C 2.201 178.494 176.300 -0.012 0.000 1.088 313 M CA 1.476 56.768 55.300 -0.013 0.000 1.108 313 M CB -0.866 31.726 32.600 -0.014 0.000 1.263 313 M HN 0.051 nan 8.290 nan 0.000 0.431 314 R N 0.508 121.001 120.500 -0.012 0.000 2.227 314 R HA -0.263 4.077 4.340 0.000 0.000 0.259 314 R C 1.919 178.215 176.300 -0.007 0.000 1.139 314 R CA 2.177 58.270 56.100 -0.011 0.000 0.969 314 R CB -1.354 28.941 30.300 -0.009 0.000 0.903 314 R HN 0.462 nan 8.270 nan 0.000 0.452 315 E N 0.853 121.050 120.200 -0.005 0.000 2.049 315 E HA -0.146 4.204 4.350 0.000 0.000 0.198 315 E C 2.130 178.731 176.600 0.002 0.000 1.007 315 E CA 1.469 57.869 56.400 -0.001 0.000 0.809 315 E CB -0.369 29.331 29.700 -0.000 0.000 0.749 315 E HN 0.401 nan 8.360 nan 0.000 0.450 316 L N -0.273 120.949 121.223 -0.001 0.000 2.275 316 L HA -0.057 4.283 4.340 0.000 0.000 0.215 316 L C 2.434 179.307 176.870 0.006 0.000 1.119 316 L CA 0.754 55.596 54.840 0.002 0.000 0.790 316 L CB -0.545 41.509 42.059 -0.008 0.000 0.919 316 L HN 0.183 nan 8.230 nan 0.000 0.443 317 A N 0.818 123.636 122.820 -0.002 0.000 1.877 317 A HA -0.188 4.132 4.320 0.000 0.000 0.216 317 A C 2.454 180.038 177.584 0.002 0.000 1.186 317 A CA 1.572 53.605 52.037 -0.006 0.000 0.620 317 A CB -0.318 18.673 19.000 -0.015 0.000 0.822 317 A HN 0.372 nan 8.150 nan 0.000 0.443 318 R N -0.787 119.716 120.500 0.004 0.000 2.057 318 R HA -0.026 4.314 4.340 0.000 0.000 0.224 318 R C 2.362 178.672 176.300 0.016 0.000 1.136 318 R CA 1.601 57.705 56.100 0.007 0.000 0.968 318 R CB -0.968 29.334 30.300 0.005 0.000 0.863 318 R HN 0.647 nan 8.270 nan 0.000 0.433 319 T N -0.474 114.091 114.554 0.018 0.000 3.051 319 T HA 0.064 4.414 4.350 0.000 0.000 0.269 319 T C 0.955 175.680 174.700 0.042 0.000 1.127 319 T CA 0.650 62.766 62.100 0.027 0.000 1.107 319 T CB -0.258 68.626 68.868 0.025 0.000 0.898 319 T HN 0.024 nan 8.240 nan 0.000 0.517 320 I N 2.118 122.715 120.570 0.045 0.000 2.378 320 I HA 0.410 4.580 4.170 0.000 0.000 0.291 320 I C -2.495 173.660 176.117 0.064 0.000 0.992 320 I CA -3.097 58.246 61.300 0.072 0.000 1.154 320 I CB 1.790 39.841 38.000 0.086 0.000 1.315 320 I HN -0.115 nan 8.210 nan 0.000 0.448 321 P HA 0.055 nan 4.420 nan 0.000 0.269 321 P C -1.970 175.358 177.300 0.047 0.000 1.217 321 P CA -0.819 62.311 63.100 0.050 0.000 0.783 321 P CB 0.103 31.833 31.700 0.050 0.000 0.898 322 P HA -0.115 nan 4.420 nan 0.000 0.215 322 P C 1.067 178.378 177.300 0.019 0.000 1.160 322 P CA 1.776 64.888 63.100 0.020 0.000 0.869 322 P CB -0.408 31.297 31.700 0.009 0.000 0.782 323 T N 0.415 114.976 114.554 0.011 0.000 2.849 323 T HA -0.120 4.230 4.350 0.000 0.000 0.270 323 T C 1.299 175.984 174.700 -0.025 0.000 1.066 323 T CA 1.700 63.800 62.100 -0.000 0.000 1.130 323 T CB -0.758 68.109 68.868 -0.002 0.000 0.864 323 T HN 0.144 nan 8.240 nan 0.000 0.481 324 D N 0.894 121.278 120.400 -0.027 0.000 2.137 324 D HA 0.085 4.725 4.640 0.000 0.000 0.202 324 D C 2.080 178.333 176.300 -0.079 0.000 0.970 324 D CA 0.507 54.435 54.000 -0.120 0.000 0.837 324 D CB -0.356 40.431 40.800 -0.021 0.000 0.981 324 D HN 0.342 nan 8.370 nan 0.000 0.475 325 I N 1.095 121.727 120.570 0.103 0.000 2.315 325 I HA -0.273 3.897 4.170 0.000 0.000 0.251 325 I C 2.483 178.696 176.117 0.159 0.000 1.125 325 I CA 1.067 62.483 61.300 0.194 0.000 1.392 325 I CB -0.188 37.870 38.000 0.096 0.000 1.065 325 I HN 0.068 nan 8.210 nan 0.000 0.424 326 Q N 0.903 120.751 119.800 0.081 0.000 2.172 326 Q HA -0.207 4.133 4.340 0.000 0.000 0.200 326 Q C 2.229 178.279 176.000 0.083 0.000 0.964 326 Q CA 1.276 57.146 55.803 0.111 0.000 0.855 326 Q CB 0.022 28.800 28.738 0.066 0.000 0.918 326 Q HN 0.464 nan 8.270 nan 0.000 0.444 327 L N 0.103 121.297 121.223 -0.049 0.000 2.240 327 L HA -0.050 4.290 4.340 0.000 0.000 0.211 327 L C 1.538 178.352 176.870 -0.093 0.000 1.106 327 L CA 1.379 56.146 54.840 -0.122 0.000 0.793 327 L CB -0.467 41.445 42.059 -0.244 0.000 0.927 327 L HN 0.108 nan 8.230 nan 0.000 0.446 328 Y N -1.989 118.344 120.300 0.055 0.000 2.206 328 Y HA -0.173 4.377 4.550 0.000 0.000 0.292 328 Y C 2.460 178.415 175.900 0.091 0.000 1.123 328 Y CA 1.609 59.733 58.100 0.041 0.000 1.142 328 Y CB -1.218 37.257 38.460 0.024 0.000 1.006 328 Y HN 0.213 nan 8.280 nan 0.000 0.518 329 Y N 1.726 122.121 120.300 0.159 0.000 2.097 329 Y HA -0.367 4.183 4.550 0.000 0.000 0.282 329 Y C 2.701 178.631 175.900 0.049 0.000 1.152 329 Y CA 2.218 60.374 58.100 0.093 0.000 1.136 329 Y CB -0.877 37.636 38.460 0.088 0.000 0.975 329 Y HN 0.295 nan 8.280 nan 0.000 0.498 330 Q N -0.380 119.439 119.800 0.032 0.000 2.077 330 Q HA -0.177 4.163 4.340 0.000 0.000 0.206 330 Q C 1.866 177.801 176.000 -0.109 0.000 0.989 330 Q CA 3.042 58.788 55.803 -0.095 0.000 0.853 330 Q CB -1.006 27.715 28.738 -0.027 0.000 0.907 330 Q HN 0.420 nan 8.270 nan 0.000 0.418 331 T N 0.380 114.903 114.554 -0.052 0.000 2.904 331 T HA -0.003 4.347 4.350 0.000 0.000 0.267 331 T C 1.444 176.120 174.700 -0.039 0.000 1.059 331 T CA 0.932 62.996 62.100 -0.059 0.000 1.137 331 T CB -0.179 68.669 68.868 -0.034 0.000 0.879 331 T HN 0.242 nan 8.240 nan 0.000 0.467 332 L N 0.989 122.205 121.223 -0.012 0.000 2.313 332 L HA 0.205 4.545 4.340 0.000 0.000 0.214 332 L C 1.886 178.714 176.870 -0.070 0.000 1.119 332 L CA 0.844 55.680 54.840 -0.007 0.000 0.809 332 L CB -0.446 41.639 42.059 0.044 0.000 0.933 332 L HN 0.167 nan 8.230 nan 0.000 0.449 333 L N -0.441 120.687 121.223 -0.159 0.000 1.993 333 L HA -0.143 4.197 4.340 0.000 0.000 0.206 333 L C 2.418 179.210 176.870 -0.129 0.000 1.074 333 L CA 1.937 56.646 54.840 -0.219 0.000 0.746 333 L CB -0.769 41.067 42.059 -0.371 0.000 0.896 333 L HN 0.245 nan 8.230 nan 0.000 0.435 334 I N 0.240 120.740 120.570 -0.118 0.000 2.194 334 I HA -0.284 3.886 4.170 0.000 0.000 0.246 334 I C 2.617 178.699 176.117 -0.058 0.000 1.093 334 I CA 1.337 62.585 61.300 -0.088 0.000 1.355 334 I CB -1.069 36.874 38.000 -0.096 0.000 1.046 334 I HN 0.393 nan 8.210 nan 0.000 0.413 335 G N 0.796 109.566 108.800 -0.049 0.000 2.553 335 G HA2 -0.346 3.614 3.960 0.000 0.000 0.218 335 G HA3 -0.346 3.614 3.960 0.000 0.000 0.218 335 G C 1.730 176.628 174.900 -0.003 0.000 1.195 335 G CA 1.140 46.228 45.100 -0.020 0.000 0.779 335 G HN 0.321 nan 8.290 nan 0.000 0.577 336 R N 0.748 121.244 120.500 -0.007 0.000 2.134 336 R HA -0.188 4.152 4.340 0.000 0.000 0.248 336 R C 2.580 178.891 176.300 0.019 0.000 1.143 336 R CA 2.090 58.196 56.100 0.010 0.000 0.957 336 R CB -0.337 29.958 30.300 -0.008 0.000 0.867 336 R HN 0.381 nan 8.270 nan 0.000 0.441 337 K N 0.204 120.605 120.400 0.002 0.000 2.032 337 K HA -0.193 4.128 4.320 0.000 0.000 0.209 337 K C 2.000 178.636 176.600 0.060 0.000 1.048 337 K CA 2.292 58.591 56.287 0.020 0.000 0.927 337 K CB -0.171 32.320 32.500 -0.014 0.000 0.712 337 K HN 0.513 nan 8.250 nan 0.000 0.441 338 E N 1.094 121.315 120.200 0.034 0.000 2.274 338 E HA -0.150 4.200 4.350 0.000 0.000 0.194 338 E C 1.913 178.573 176.600 0.099 0.000 0.996 338 E CA 0.303 56.737 56.400 0.057 0.000 0.840 338 E CB -0.224 29.480 29.700 0.006 0.000 0.772 338 E HN 0.081 nan 8.360 nan 0.000 0.491 339 L N 3.065 124.328 121.223 0.065 0.000 1.987 339 L HA -0.233 4.107 4.340 0.000 0.000 0.230 339 L C -0.617 176.279 176.870 0.044 0.000 1.089 339 L CA 2.698 57.568 54.840 0.049 0.000 0.802 339 L CB -1.238 40.852 42.059 0.051 0.000 0.905 339 L HN 0.087 nan 8.230 nan 0.000 0.441 340 P HA -0.255 nan 4.420 nan 0.000 0.215 340 P C 1.471 178.736 177.300 -0.059 0.000 1.153 340 P CA 1.861 64.939 63.100 -0.036 0.000 0.853 340 P CB -0.425 31.223 31.700 -0.087 0.000 0.788 341 Y N 0.286 120.576 120.300 -0.018 0.000 2.680 341 Y HA 0.101 4.651 4.550 0.000 0.000 0.303 341 Y C 1.721 177.604 175.900 -0.028 0.000 1.166 341 Y CA -0.052 58.036 58.100 -0.021 0.000 1.344 341 Y CB -0.724 37.725 38.460 -0.019 0.000 1.002 341 Y HN -0.027 nan 8.280 nan 0.000 0.537 342 A N 1.345 124.216 122.820 0.085 0.000 2.371 342 A HA 0.163 4.483 4.320 0.000 0.000 0.257 342 A C -1.103 176.476 177.584 -0.008 0.000 1.089 342 A CA -1.249 50.803 52.037 0.026 0.000 0.794 342 A CB -0.022 18.970 19.000 -0.015 0.000 1.029 342 A HN 0.128 nan 8.150 nan 0.000 0.488 343 P HA -0.060 nan 4.420 nan 0.000 0.234 343 P C -0.320 176.947 177.300 -0.055 0.000 1.162 343 P CA 1.463 64.547 63.100 -0.026 0.000 0.759 343 P CB -0.061 31.625 31.700 -0.023 0.000 0.813 344 D N -2.146 118.204 120.400 -0.083 0.000 2.721 344 D HA 0.098 4.739 4.640 0.000 0.000 0.221 344 D C 0.865 177.049 176.300 -0.194 0.000 1.208 344 D CA -0.612 53.307 54.000 -0.134 0.000 0.755 344 D CB 0.710 41.419 40.800 -0.151 0.000 1.732 344 D HN -0.365 nan 8.370 nan 0.000 0.490 345 R N 1.535 121.890 120.500 -0.242 0.000 2.081 345 R HA -0.052 4.288 4.340 0.000 0.000 0.235 345 R C 2.019 177.958 176.300 -0.601 0.000 1.131 345 R CA 1.065 56.990 56.100 -0.291 0.000 0.960 345 R CB -0.020 30.181 30.300 -0.166 0.000 0.856 345 R HN 0.411 nan 8.270 nan 0.000 0.436 346 R N 0.957 120.827 120.500 -1.051 0.000 2.080 346 R HA -0.128 4.212 4.340 0.000 0.000 0.236 346 R C 2.289 178.211 176.300 -0.630 0.000 1.137 346 R CA 1.743 56.971 56.100 -1.454 0.000 0.943 346 R CB -0.256 29.299 30.300 -1.242 0.000 0.846 346 R HN 0.135 nan 8.270 nan 0.000 0.431 347 M N -0.037 119.328 119.600 -0.392 0.000 2.267 347 M HA -0.113 4.367 4.480 0.000 0.000 0.263 347 M C 1.802 178.014 176.300 -0.146 0.000 1.063 347 M CA 2.058 57.233 55.300 -0.208 0.000 1.090 347 M CB -0.146 32.365 32.600 -0.148 0.000 1.392 347 M HN 0.413 nan 8.290 nan 0.000 0.422 348 G N -1.024 107.682 108.800 -0.156 0.000 2.403 348 G HA2 -0.099 3.861 3.960 0.000 0.000 0.216 348 G HA3 -0.099 3.861 3.960 0.000 0.000 0.216 348 G C 1.288 176.160 174.900 -0.048 0.000 1.154 348 G CA 0.705 45.759 45.100 -0.077 0.000 0.784 348 G HN 0.376 nan 8.290 nan 0.000 0.538 349 V N 1.116 120.988 119.914 -0.069 0.000 2.237 349 V HA -0.202 3.918 4.120 0.000 0.000 0.245 349 V C 2.697 178.806 176.094 0.025 0.000 1.046 349 V CA 2.334 64.652 62.300 0.029 0.000 1.007 349 V CB -0.703 31.202 31.823 0.137 0.000 0.638 349 V HN 0.477 nan 8.190 nan 0.000 0.445 350 E N -0.480 119.711 120.200 -0.016 0.000 2.058 350 E HA -0.263 4.087 4.350 0.000 0.000 0.194 350 E C 2.243 178.851 176.600 0.012 0.000 0.997 350 E CA 1.447 57.851 56.400 0.006 0.000 0.801 350 E CB -0.278 29.410 29.700 -0.020 0.000 0.746 350 E HN 0.343 nan 8.360 nan 0.000 0.450 351 M N 0.757 120.353 119.600 -0.006 0.000 2.213 351 M HA -0.118 4.362 4.480 0.000 0.000 0.263 351 M C 2.077 178.388 176.300 0.019 0.000 1.062 351 M CA 1.437 56.741 55.300 0.006 0.000 1.105 351 M CB -0.665 31.930 32.600 -0.008 0.000 1.385 351 M HN 0.120 nan 8.290 nan 0.000 0.417 352 T N 1.145 115.709 114.554 0.017 0.000 2.668 352 T HA -0.108 4.242 4.350 0.000 0.000 0.262 352 T C 1.951 176.675 174.700 0.040 0.000 1.045 352 T CA 1.125 63.238 62.100 0.021 0.000 1.152 352 T CB -0.381 68.501 68.868 0.023 0.000 0.864 352 T HN 0.324 nan 8.240 nan 0.000 0.419 353 L N 0.680 121.933 121.223 0.049 0.000 2.013 353 L HA -0.094 4.246 4.340 0.000 0.000 0.212 353 L C 2.408 179.324 176.870 0.077 0.000 1.073 353 L CA 1.232 56.109 54.840 0.061 0.000 0.753 353 L CB -0.653 41.441 42.059 0.058 0.000 0.890 353 L HN 0.261 nan 8.230 nan 0.000 0.432 354 L N -0.477 120.787 121.223 0.068 0.000 2.551 354 L HA -0.176 4.164 4.340 0.000 0.000 0.230 354 L C 2.650 179.582 176.870 0.104 0.000 1.163 354 L CA 0.403 55.290 54.840 0.079 0.000 0.826 354 L CB -0.468 41.625 42.059 0.057 0.000 0.943 354 L HN 0.298 nan 8.230 nan 0.000 0.452 355 R N 0.400 120.958 120.500 0.097 0.000 2.105 355 R HA 0.075 4.415 4.340 0.000 0.000 0.214 355 R C 2.152 178.556 176.300 0.174 0.000 1.091 355 R CA 1.230 57.398 56.100 0.114 0.000 1.007 355 R CB -0.230 30.081 30.300 0.019 0.000 0.912 355 R HN 0.219 nan 8.270 nan 0.000 0.450 356 A N 1.075 123.981 122.820 0.143 0.000 1.902 356 A HA -0.113 4.207 4.320 0.000 0.000 0.217 356 A C 2.037 179.777 177.584 0.260 0.000 1.181 356 A CA 1.036 53.189 52.037 0.193 0.000 0.623 356 A CB -0.494 18.610 19.000 0.174 0.000 0.818 356 A HN 0.251 nan 8.150 nan 0.000 0.443 357 L N -0.909 120.450 121.223 0.226 0.000 2.362 357 L HA 0.016 4.356 4.340 0.000 0.000 0.219 357 L C 2.499 179.507 176.870 0.230 0.000 1.134 357 L CA 1.410 56.404 54.840 0.256 0.000 0.807 357 L CB -0.328 41.837 42.059 0.178 0.000 0.927 357 L HN 0.394 nan 8.230 nan 0.000 0.447 358 A N -3.003 119.965 122.820 0.247 0.000 2.267 358 A HA 0.136 4.456 4.320 0.000 0.000 0.213 358 A C 1.417 179.098 177.584 0.161 0.000 1.192 358 A CA 0.314 52.473 52.037 0.202 0.000 0.851 358 A CB -0.205 18.940 19.000 0.242 0.000 0.881 358 A HN 0.319 nan 8.150 nan 0.000 0.494 359 F N -1.467 118.540 119.950 0.095 0.000 2.798 359 F HA 0.242 4.769 4.527 0.000 0.000 0.328 359 F C 0.738 176.603 175.800 0.109 0.000 1.098 359 F CA -0.865 57.177 58.000 0.069 0.000 1.172 359 F CB -0.256 38.762 39.000 0.031 0.000 1.072 359 F HN 0.358 nan 8.300 nan 0.000 0.555 360 H N 2.471 121.658 119.070 0.195 0.000 3.173 360 H HA -0.077 4.479 4.556 0.000 0.000 0.311 360 H C -1.650 173.730 175.328 0.087 0.000 0.972 360 H CA -0.650 55.502 56.048 0.173 0.000 1.384 360 H CB 0.923 30.799 29.762 0.190 0.000 1.349 360 H HN -0.048 nan 8.280 nan 0.000 0.582 361 P HA -0.146 nan 4.420 nan 0.000 0.214 361 P C -0.136 177.241 177.300 0.129 0.000 1.163 361 P CA 1.417 64.635 63.100 0.196 0.000 0.883 361 P CB 0.256 32.041 31.700 0.141 0.000 0.788 362 R N -0.095 120.483 120.500 0.130 0.000 2.310 362 R HA 0.399 4.739 4.340 0.000 0.000 0.324 362 R C -0.579 175.518 176.300 -0.337 0.000 0.955 362 R CA -0.394 55.663 56.100 -0.071 0.000 0.830 362 R CB 0.112 30.416 30.300 0.006 0.000 1.154 362 R HN -0.092 nan 8.270 nan 0.000 0.458 363 M N 3.079 122.559 119.600 -0.200 0.000 2.614 363 M HA -0.092 4.388 4.480 0.000 0.000 0.210 363 M C -2.497 173.703 176.300 -0.167 0.000 0.592 363 M CA -0.144 55.040 55.300 -0.194 0.000 0.621 363 M CB -2.002 30.460 32.600 -0.229 0.000 2.108 363 M HN 0.488 nan 8.290 nan 0.000 0.817 364 P HA 0.455 nan 4.420 nan 0.000 0.277 364 P C 0.327 177.609 177.300 -0.031 0.000 1.240 364 P CA -0.633 62.446 63.100 -0.035 0.000 0.798 364 P CB 0.891 32.566 31.700 -0.041 0.000 0.979 365 L N 2.813 124.031 121.223 -0.009 0.000 2.543 365 L HA 0.052 4.392 4.340 0.000 0.000 0.285 365 L C -0.837 176.019 176.870 -0.022 0.000 1.236 365 L CA -1.032 53.804 54.840 -0.007 0.000 0.871 365 L CB -0.768 41.296 42.059 0.009 0.000 1.121 365 L HN 0.416 nan 8.230 nan 0.000 0.501 366 P HA 0.212 nan 4.420 nan 0.000 0.289 366 P C -1.074 176.215 177.300 -0.018 0.000 1.299 366 P CA -0.394 62.694 63.100 -0.019 0.000 0.766 366 P CB 1.109 32.801 31.700 -0.014 0.000 1.226 367 E N 0.460 120.650 120.200 -0.017 0.000 2.879 367 E HA 0.201 4.551 4.350 0.000 0.000 0.345 367 E C -2.428 174.164 176.600 -0.013 0.000 0.955 367 E CA -0.919 55.472 56.400 -0.015 0.000 0.801 367 E CB 0.903 30.591 29.700 -0.020 0.000 1.324 367 E HN 0.472 nan 8.360 nan 0.000 0.417 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.095 63.100 -0.008 0.000 0.800 368 P CB 0.000 31.696 31.700 -0.006 0.000 0.726