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 3gli_1_B 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 RALAFHPRM 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 0.000 176.144 176.094 0.083 0.000 1.182 5 V CA 0.000 62.328 62.300 0.048 0.000 1.235 5 V CB 0.000 31.843 31.823 0.033 0.000 1.184 6 L N 2.068 123.364 121.223 0.122 0.000 2.042 6 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 6 L C 2.611 179.610 176.870 0.216 0.000 1.076 6 L CA 2.518 57.495 54.840 0.228 0.000 0.749 6 L CB -0.438 41.718 42.059 0.161 0.000 0.893 6 L HN 1.015 nan 8.230 nan 0.000 0.432 7 A N 0.103 122.991 122.820 0.113 0.000 1.917 7 A HA -0.236 4.083 4.320 -0.001 0.000 0.219 7 A C 2.382 180.009 177.584 0.072 0.000 1.182 7 A CA 1.667 53.755 52.037 0.084 0.000 0.633 7 A CB -0.435 18.593 19.000 0.045 0.000 0.819 7 A HN 0.368 nan 8.150 nan 0.000 0.448 8 R N -0.793 119.735 120.500 0.045 0.000 2.055 8 R HA -0.053 4.287 4.340 -0.001 0.000 0.228 8 R C 2.438 178.716 176.300 -0.037 0.000 1.143 8 R CA 1.360 57.462 56.100 0.003 0.000 0.945 8 R CB -0.393 29.901 30.300 -0.010 0.000 0.841 8 R HN 0.564 nan 8.270 nan 0.000 0.429 9 K N 0.287 120.643 120.400 -0.073 0.000 2.074 9 K HA -0.179 4.140 4.320 -0.001 0.000 0.209 9 K C 0.877 177.223 176.600 -0.423 0.000 1.048 9 K CA 1.503 57.628 56.287 -0.270 0.000 0.926 9 K CB -0.046 32.246 32.500 -0.346 0.000 0.713 9 K HN 0.224 nan 8.250 nan 0.000 0.444 10 W N 2.020 123.300 121.300 -0.033 0.000 3.391 10 W HA 0.187 4.846 4.660 -0.001 0.000 0.372 10 W C 0.180 176.663 176.519 -0.060 0.000 1.171 10 W CA -0.770 56.546 57.345 -0.049 0.000 1.862 10 W CB 0.181 29.610 29.460 -0.053 0.000 1.048 10 W HN -0.022 nan 8.180 nan 0.000 0.726 11 R N 2.224 122.752 120.500 0.045 0.000 2.489 11 R HA 0.096 4.436 4.340 -0.001 0.000 0.287 11 R C -2.317 173.977 176.300 -0.010 0.000 1.053 11 R CA -1.408 54.696 56.100 0.007 0.000 1.036 11 R CB 0.370 30.650 30.300 -0.034 0.000 0.966 11 R HN -0.180 nan 8.270 nan 0.000 0.432 12 P HA 0.038 nan 4.420 nan 0.000 0.271 12 P C -0.494 176.787 177.300 -0.032 0.000 1.233 12 P CA -0.102 62.988 63.100 -0.016 0.000 0.764 12 P CB 1.265 32.937 31.700 -0.047 0.000 0.825 13 Q N 0.641 120.430 119.800 -0.018 0.000 2.324 13 Q HA 0.088 4.428 4.340 -0.001 0.000 0.207 13 Q C 0.502 176.516 176.000 0.023 0.000 0.928 13 Q CA 1.155 56.947 55.803 -0.018 0.000 0.890 13 Q CB -0.138 28.577 28.738 -0.038 0.000 1.001 13 Q HN 0.367 nan 8.270 nan 0.000 0.517 14 T N 0.790 115.371 114.554 0.046 0.000 2.902 14 T HA 0.334 4.683 4.350 -0.001 0.000 0.283 14 T C 0.910 175.726 174.700 0.193 0.000 1.009 14 T CA -0.519 61.641 62.100 0.100 0.000 1.051 14 T CB 0.674 69.576 68.868 0.058 0.000 0.999 14 T HN 0.009 nan 8.240 nan 0.000 0.474 15 F N 1.348 121.260 119.950 -0.063 0.000 2.115 15 F HA -0.238 4.288 4.527 -0.001 0.000 0.300 15 F C 2.755 178.527 175.800 -0.047 0.000 1.092 15 F CA 1.057 59.019 58.000 -0.065 0.000 1.245 15 F CB -0.223 38.738 39.000 -0.064 0.000 0.995 15 F HN 0.712 nan 8.300 nan 0.000 0.481 16 A N -0.000 122.921 122.820 0.169 0.000 1.986 16 A HA -0.261 4.059 4.320 -0.001 0.000 0.220 16 A C 1.585 179.197 177.584 0.045 0.000 1.171 16 A CA 2.238 54.326 52.037 0.085 0.000 0.640 16 A CB -0.747 18.293 19.000 0.067 0.000 0.811 16 A HN 0.333 nan 8.150 nan 0.000 0.451 17 D N -0.713 119.711 120.400 0.039 0.000 2.348 17 D HA 0.080 4.720 4.640 -0.001 0.000 0.216 17 D C 0.468 176.753 176.300 -0.024 0.000 0.970 17 D CA 0.284 54.289 54.000 0.009 0.000 0.889 17 D CB -0.263 40.552 40.800 0.025 0.000 0.912 17 D HN 0.215 nan 8.370 nan 0.000 0.524 18 V N 1.423 121.310 119.914 -0.045 0.000 2.614 18 V HA 0.071 4.190 4.120 -0.001 0.000 0.291 18 V C 0.581 176.632 176.094 -0.073 0.000 1.049 18 V CA -0.580 61.666 62.300 -0.089 0.000 1.038 18 V CB 1.841 33.558 31.823 -0.177 0.000 0.980 18 V HN -0.176 nan 8.190 nan 0.000 0.481 19 V N 5.459 125.332 119.914 -0.069 0.000 2.498 19 V HA 0.600 4.720 4.120 -0.001 0.000 0.279 19 V C 1.213 177.277 176.094 -0.050 0.000 1.048 19 V CA 0.764 63.034 62.300 -0.050 0.000 0.967 19 V CB 0.298 32.097 31.823 -0.039 0.000 0.988 19 V HN 1.266 nan 8.190 nan 0.000 0.473 20 G N 3.727 112.507 108.800 -0.033 0.000 2.578 20 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.313 20 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.313 20 G C 0.241 175.123 174.900 -0.030 0.000 1.324 20 G CA 0.568 45.660 45.100 -0.013 0.000 0.955 20 G HN 1.030 nan 8.290 nan 0.000 0.541 21 Q N -1.563 118.245 119.800 0.013 0.000 2.503 21 Q HA -0.184 4.155 4.340 -0.001 0.000 0.267 21 Q C 1.264 177.160 176.000 -0.174 0.000 1.030 21 Q CA 1.947 57.709 55.803 -0.068 0.000 1.041 21 Q CB -1.747 26.912 28.738 -0.133 0.000 1.406 21 Q HN 0.925 nan 8.270 nan 0.000 0.524 22 E N -0.440 119.758 120.200 -0.004 0.000 2.152 22 E HA -0.131 4.218 4.350 -0.001 0.000 0.192 22 E C 1.709 178.307 176.600 -0.003 0.000 0.983 22 E CA 1.129 57.525 56.400 -0.008 0.000 0.818 22 E CB -0.119 29.613 29.700 0.053 0.000 0.758 22 E HN 0.694 nan 8.360 nan 0.000 0.467 23 H N -0.551 118.547 119.070 0.046 0.000 2.521 23 H HA 0.005 4.560 4.556 -0.001 0.000 0.286 23 H C 1.767 177.176 175.328 0.135 0.000 1.034 23 H CA 0.797 56.900 56.048 0.092 0.000 1.278 23 H CB -0.289 29.534 29.762 0.102 0.000 1.386 23 H HN 0.052 nan 8.280 nan 0.000 0.567 24 V N 1.240 120.855 119.914 -0.500 0.000 2.436 24 V HA -0.107 4.013 4.120 -0.001 0.000 0.240 24 V C 2.960 178.837 176.094 -0.362 0.000 1.040 24 V CA 0.640 62.687 62.300 -0.422 0.000 1.052 24 V CB -0.432 31.101 31.823 -0.484 0.000 0.707 24 V HN 0.188 nan 8.190 nan 0.000 0.469 25 L N 0.043 121.090 121.223 -0.293 0.000 1.963 25 L HA -0.262 4.078 4.340 -0.001 0.000 0.220 25 L C 2.666 179.538 176.870 0.002 0.000 1.076 25 L CA 2.400 57.118 54.840 -0.202 0.000 0.772 25 L CB -1.327 40.610 42.059 -0.202 0.000 0.892 25 L HN 0.358 nan 8.230 nan 0.000 0.435 26 T N -0.023 114.546 114.554 0.025 0.000 2.653 26 T HA -0.302 4.048 4.350 -0.001 0.000 0.268 26 T C 1.907 176.671 174.700 0.106 0.000 1.035 26 T CA 1.730 63.879 62.100 0.082 0.000 1.154 26 T CB -0.426 68.491 68.868 0.081 0.000 0.862 26 T HN 0.507 nan 8.240 nan 0.000 0.441 27 A N 0.765 123.658 122.820 0.122 0.000 1.972 27 A HA 0.055 4.374 4.320 -0.001 0.000 0.219 27 A C 2.330 180.036 177.584 0.204 0.000 1.169 27 A CA 1.049 53.210 52.037 0.206 0.000 0.635 27 A CB -0.679 18.548 19.000 0.377 0.000 0.810 27 A HN 0.474 nan 8.150 nan 0.000 0.446 28 L N -0.989 120.291 121.223 0.096 0.000 1.988 28 L HA -0.154 4.185 4.340 -0.001 0.000 0.207 28 L C 3.162 180.123 176.870 0.151 0.000 1.071 28 L CA 1.051 55.966 54.840 0.125 0.000 0.744 28 L CB -0.951 41.139 42.059 0.052 0.000 0.893 28 L HN 0.429 nan 8.230 nan 0.000 0.433 29 A N 0.849 123.778 122.820 0.183 0.000 1.894 29 A HA -0.328 3.992 4.320 -0.001 0.000 0.220 29 A C 2.027 179.652 177.584 0.069 0.000 1.237 29 A CA 2.720 54.821 52.037 0.106 0.000 0.660 29 A CB -0.924 18.154 19.000 0.130 0.000 0.835 29 A HN 0.505 nan 8.150 nan 0.000 0.461 30 N N -0.407 118.350 118.700 0.096 0.000 2.188 30 N HA -0.049 4.691 4.740 -0.001 0.000 0.184 30 N C 1.805 177.376 175.510 0.101 0.000 1.018 30 N CA 1.382 54.485 53.050 0.088 0.000 0.858 30 N CB -0.813 37.731 38.487 0.096 0.000 0.989 30 N HN 0.514 nan 8.380 nan 0.000 0.426 31 G N 1.024 109.911 108.800 0.145 0.000 2.402 31 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.216 31 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.216 31 G C 1.662 176.635 174.900 0.122 0.000 1.162 31 G CA 0.302 45.503 45.100 0.168 0.000 0.777 31 G HN 0.193 nan 8.290 nan 0.000 0.539 32 L N 0.379 121.660 121.223 0.096 0.000 1.955 32 L HA -0.124 4.216 4.340 -0.001 0.000 0.213 32 L C 3.088 179.981 176.870 0.038 0.000 1.072 32 L CA 1.423 56.292 54.840 0.048 0.000 0.755 32 L CB -0.766 41.290 42.059 -0.004 0.000 0.888 32 L HN 0.280 nan 8.230 nan 0.000 0.432 33 S N 0.029 115.744 115.700 0.025 0.000 2.389 33 S HA -0.197 4.272 4.470 -0.001 0.000 0.229 33 S C 1.319 175.940 174.600 0.035 0.000 1.048 33 S CA 1.445 59.657 58.200 0.021 0.000 1.117 33 S CB -0.370 62.843 63.200 0.021 0.000 1.020 33 S HN 0.280 nan 8.310 nan 0.000 0.430 34 L N 1.390 122.642 121.223 0.048 0.000 2.998 34 L HA 0.304 4.644 4.340 -0.001 0.000 0.234 34 L C 1.393 178.294 176.870 0.051 0.000 1.350 34 L CA 0.081 54.950 54.840 0.047 0.000 1.202 34 L CB -0.716 41.372 42.059 0.050 0.000 1.583 34 L HN 0.511 nan 8.230 nan 0.000 0.456 35 G N 0.985 109.818 108.800 0.055 0.000 2.352 35 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.295 35 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.295 35 G C 0.469 175.402 174.900 0.055 0.000 0.991 35 G CA 0.371 45.507 45.100 0.060 0.000 0.796 35 G HN 0.558 nan 8.290 nan 0.000 0.511 36 R N -0.109 120.425 120.500 0.058 0.000 2.229 36 R HA 0.581 4.921 4.340 -0.001 0.000 0.332 36 R C -0.194 176.142 176.300 0.058 0.000 0.989 36 R CA -0.526 55.586 56.100 0.021 0.000 0.842 36 R CB 1.087 31.401 30.300 0.024 0.000 1.119 36 R HN 0.183 nan 8.270 nan 0.000 0.456 37 I N 3.734 124.312 120.570 0.014 0.000 2.529 37 I HA 0.184 4.354 4.170 -0.001 0.000 0.284 37 I C -0.426 175.764 176.117 0.121 0.000 1.088 37 I CA -0.915 60.483 61.300 0.162 0.000 1.062 37 I CB 1.284 39.352 38.000 0.112 0.000 1.218 37 I HN 0.587 nan 8.210 nan 0.000 0.442 38 H N 3.480 122.663 119.070 0.189 0.000 2.690 38 H HA 0.151 4.706 4.556 -0.001 0.000 0.365 38 H C 1.213 176.618 175.328 0.128 0.000 1.142 38 H CA -0.080 55.984 56.048 0.026 0.000 1.417 38 H CB 0.397 29.935 29.762 -0.373 0.000 1.446 38 H HN 0.607 nan 8.280 nan 0.000 0.599 39 H N 0.182 119.396 119.070 0.240 0.000 2.518 39 H HA 0.285 4.841 4.556 -0.001 0.000 0.289 39 H C -0.001 175.535 175.328 0.347 0.000 1.051 39 H CA 0.538 56.736 56.048 0.250 0.000 1.280 39 H CB 0.327 30.210 29.762 0.201 0.000 1.380 39 H HN 0.565 nan 8.280 nan 0.000 0.566 40 A N 0.035 122.796 122.820 -0.098 0.000 2.532 40 A HA 0.506 4.825 4.320 -0.001 0.000 0.296 40 A C -1.965 175.621 177.584 0.005 0.000 1.058 40 A CA -0.852 51.263 52.037 0.130 0.000 0.729 40 A CB 0.831 19.893 19.000 0.105 0.000 1.285 40 A HN 0.191 nan 8.150 nan 0.000 0.396 41 Y N 1.041 121.341 120.300 0.001 0.000 2.446 41 Y HA 0.720 5.270 4.550 -0.001 0.000 0.345 41 Y C -0.284 175.554 175.900 -0.103 0.000 0.984 41 Y CA -1.314 56.724 58.100 -0.103 0.000 1.058 41 Y CB 2.163 40.587 38.460 -0.060 0.000 1.220 41 Y HN 0.645 nan 8.280 nan 0.000 0.455 42 L N 3.984 125.125 121.223 -0.136 0.000 2.356 42 L HA 0.648 4.987 4.340 -0.001 0.000 0.277 42 L C -1.991 174.783 176.870 -0.160 0.000 0.996 42 L CA -1.128 53.682 54.840 -0.050 0.000 0.822 42 L CB 0.370 42.410 42.059 -0.030 0.000 1.256 42 L HN 0.416 nan 8.230 nan 0.000 0.413 43 F N 3.977 124.023 119.950 0.161 0.000 2.403 43 F HA 0.658 5.184 4.527 -0.001 0.000 0.355 43 F C 0.599 176.457 175.800 0.097 0.000 1.119 43 F CA -0.288 57.794 58.000 0.137 0.000 1.007 43 F CB 1.808 40.856 39.000 0.079 0.000 1.194 43 F HN 0.622 nan 8.300 nan 0.000 0.443 44 S N 1.474 117.308 115.700 0.223 0.000 2.806 44 S HA 1.032 5.501 4.470 -0.001 0.000 0.315 44 S C -0.055 174.536 174.600 -0.015 0.000 1.127 44 S CA -0.479 57.813 58.200 0.153 0.000 0.918 44 S CB 1.841 65.175 63.200 0.224 0.000 1.240 44 S HN 1.344 nan 8.310 nan 0.000 0.552 45 G N -0.075 108.686 108.800 -0.066 0.000 2.343 45 G HA2 0.265 4.225 3.960 -0.001 0.000 0.562 45 G HA3 0.265 4.225 3.960 -0.001 0.000 0.562 45 G C -0.711 174.163 174.900 -0.044 0.000 1.269 45 G CA -0.464 44.489 45.100 -0.245 0.000 1.011 45 G HN 1.289 nan 8.290 nan 0.000 0.498 46 T N 0.813 115.343 114.554 -0.040 0.000 2.909 46 T HA 0.586 4.935 4.350 -0.001 0.000 0.286 46 T C 0.758 175.456 174.700 -0.002 0.000 1.002 46 T CA -0.191 61.909 62.100 -0.000 0.000 1.074 46 T CB 1.301 70.174 68.868 0.008 0.000 0.984 46 T HN 1.377 nan 8.240 nan 0.000 0.495 47 R N 1.116 121.620 120.500 0.008 0.000 3.058 47 R HA -0.082 4.257 4.340 -0.001 0.000 0.231 47 R C 0.733 177.034 176.300 0.001 0.000 0.791 47 R CA 0.883 56.989 56.100 0.009 0.000 1.034 47 R CB -1.918 28.389 30.300 0.011 0.000 0.950 47 R HN 1.540 nan 8.270 nan 0.000 0.386 48 G N 1.889 110.688 108.800 -0.002 0.000 2.295 48 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.287 48 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.287 48 G C 0.246 175.134 174.900 -0.020 0.000 1.055 48 G CA 0.028 45.122 45.100 -0.010 0.000 0.922 48 G HN 0.583 nan 8.290 nan 0.000 0.503 49 V N -1.298 118.599 119.914 -0.028 0.000 3.556 49 V HA 0.584 4.704 4.120 -0.001 0.000 0.287 49 V C 1.907 177.967 176.094 -0.057 0.000 1.422 49 V CA 1.369 63.647 62.300 -0.036 0.000 1.038 49 V CB 0.614 32.417 31.823 -0.034 0.000 0.850 49 V HN 1.700 nan 8.190 nan 0.000 0.437 50 G N -0.196 108.563 108.800 -0.068 0.000 3.246 50 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.218 50 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.218 50 G C 0.892 175.706 174.900 -0.143 0.000 0.978 50 G CA 0.230 45.263 45.100 -0.112 0.000 0.825 50 G HN 0.269 nan 8.290 nan 0.000 0.546 51 K N 0.261 120.609 120.400 -0.087 0.000 2.023 51 K HA -0.218 4.101 4.320 -0.001 0.000 0.227 51 K C 2.353 178.835 176.600 -0.197 0.000 1.054 51 K CA 2.504 58.748 56.287 -0.072 0.000 0.977 51 K CB -0.562 31.957 32.500 0.032 0.000 0.733 51 K HN 0.313 nan 8.250 nan 0.000 0.451 52 T N 0.450 114.928 114.554 -0.127 0.000 2.942 52 T HA -0.028 4.321 4.350 -0.001 0.000 0.265 52 T C 2.084 176.668 174.700 -0.192 0.000 1.062 52 T CA 1.054 63.067 62.100 -0.144 0.000 1.139 52 T CB -0.046 68.785 68.868 -0.062 0.000 0.883 52 T HN 0.156 nan 8.240 nan 0.000 0.468 53 S N 1.194 116.791 115.700 -0.171 0.000 2.382 53 S HA 0.032 4.502 4.470 -0.001 0.000 0.228 53 S C 1.976 176.427 174.600 -0.249 0.000 1.027 53 S CA 0.790 58.889 58.200 -0.168 0.000 0.991 53 S CB -0.312 62.810 63.200 -0.129 0.000 0.823 53 S HN 0.421 nan 8.310 nan 0.000 0.469 54 I N 1.296 121.653 120.570 -0.356 0.000 2.286 54 I HA -0.153 4.016 4.170 -0.001 0.000 0.245 54 I C 2.712 178.469 176.117 -0.600 0.000 1.104 54 I CA 0.924 61.920 61.300 -0.507 0.000 1.397 54 I CB -0.630 37.015 38.000 -0.592 0.000 1.072 54 I HN 0.264 nan 8.210 nan 0.000 0.417 55 A N 1.130 123.523 122.820 -0.712 0.000 1.892 55 A HA -0.255 4.064 4.320 -0.001 0.000 0.218 55 A C 2.387 179.788 177.584 -0.304 0.000 1.188 55 A CA 1.696 53.368 52.037 -0.607 0.000 0.631 55 A CB -0.679 18.081 19.000 -0.401 0.000 0.822 55 A HN 0.315 nan 8.150 nan 0.000 0.447 56 R N -0.704 119.658 120.500 -0.229 0.000 2.083 56 R HA -0.123 4.216 4.340 -0.001 0.000 0.237 56 R C 2.176 178.393 176.300 -0.139 0.000 1.137 56 R CA 1.625 57.632 56.100 -0.155 0.000 0.951 56 R CB -0.656 29.570 30.300 -0.125 0.000 0.851 56 R HN 0.544 nan 8.270 nan 0.000 0.434 57 L N 0.433 121.577 121.223 -0.133 0.000 1.990 57 L HA -0.256 4.084 4.340 -0.001 0.000 0.213 57 L C 2.494 179.399 176.870 0.059 0.000 1.072 57 L CA 1.061 55.903 54.840 0.003 0.000 0.755 57 L CB -0.548 41.517 42.059 0.010 0.000 0.889 57 L HN 0.222 nan 8.230 nan 0.000 0.432 58 L N 0.044 121.246 121.223 -0.036 0.000 2.129 58 L HA -0.212 4.127 4.340 -0.001 0.000 0.212 58 L C 2.556 179.358 176.870 -0.114 0.000 1.087 58 L CA 1.978 56.786 54.840 -0.055 0.000 0.757 58 L CB -0.682 41.288 42.059 -0.147 0.000 0.896 58 L HN 0.197 nan 8.230 nan 0.000 0.434 59 A N -0.891 121.850 122.820 -0.131 0.000 1.873 59 A HA -0.209 4.111 4.320 -0.001 0.000 0.215 59 A C 2.323 179.801 177.584 -0.177 0.000 1.186 59 A CA 1.745 53.690 52.037 -0.154 0.000 0.616 59 A CB -0.441 18.462 19.000 -0.163 0.000 0.823 59 A HN 0.451 nan 8.150 nan 0.000 0.442 60 K N -0.816 119.485 120.400 -0.165 0.000 2.001 60 K HA -0.156 4.163 4.320 -0.001 0.000 0.214 60 K C 2.088 178.602 176.600 -0.144 0.000 1.050 60 K CA 1.412 57.596 56.287 -0.172 0.000 0.934 60 K CB -0.590 31.841 32.500 -0.115 0.000 0.718 60 K HN 0.472 nan 8.250 nan 0.000 0.443 61 G N 1.035 109.758 108.800 -0.127 0.000 2.448 61 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.219 61 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.219 61 G C 1.421 176.260 174.900 -0.101 0.000 1.127 61 G CA 0.411 45.415 45.100 -0.160 0.000 0.766 61 G HN 0.105 nan 8.290 nan 0.000 0.552 62 L N -0.234 120.938 121.223 -0.086 0.000 2.179 62 L HA 0.080 4.419 4.340 -0.001 0.000 0.208 62 L C 1.770 178.712 176.870 0.120 0.000 1.096 62 L CA 0.757 55.585 54.840 -0.021 0.000 0.779 62 L CB -0.047 41.935 42.059 -0.127 0.000 0.922 62 L HN 0.141 nan 8.230 nan 0.000 0.443 63 N N -1.694 117.018 118.700 0.020 0.000 2.184 63 N HA 0.041 4.781 4.740 -0.001 0.000 0.206 63 N C 0.135 175.638 175.510 -0.011 0.000 1.151 63 N CA -0.133 52.939 53.050 0.037 0.000 0.878 63 N CB 0.110 38.567 38.487 -0.049 0.000 1.014 63 N HN 0.107 nan 8.380 nan 0.000 0.512 64 C N 1.565 120.838 119.300 -0.045 0.000 2.550 64 C HA -0.030 4.429 4.460 -0.001 0.000 0.406 64 C C 1.998 176.983 174.990 -0.009 0.000 1.366 64 C CA 0.134 59.123 59.018 -0.048 0.000 1.712 64 C CB -0.014 27.686 27.740 -0.067 0.000 2.613 64 C HN 0.480 nan 8.230 nan 0.000 0.608 65 E N 1.035 121.234 120.200 -0.001 0.000 2.268 65 E HA -0.137 4.213 4.350 -0.001 0.000 0.195 65 E C 1.927 178.528 176.600 0.002 0.000 0.995 65 E CA 1.645 58.053 56.400 0.013 0.000 0.836 65 E CB 0.037 29.749 29.700 0.020 0.000 0.763 65 E HN 0.993 nan 8.360 nan 0.000 0.491 66 T N -2.025 112.522 114.554 -0.011 0.000 3.160 66 T HA 0.252 4.602 4.350 -0.001 0.000 0.257 66 T C 0.861 175.555 174.700 -0.011 0.000 1.147 66 T CA 0.261 62.353 62.100 -0.014 0.000 1.064 66 T CB 0.382 69.235 68.868 -0.025 0.000 0.949 66 T HN 0.247 nan 8.240 nan 0.000 0.526 67 G N 0.965 109.762 108.800 -0.005 0.000 2.423 67 G HA2 0.026 3.985 3.960 -0.001 0.000 0.684 67 G HA3 0.026 3.985 3.960 -0.001 0.000 0.684 67 G C -0.816 174.089 174.900 0.009 0.000 1.309 67 G CA -0.831 44.273 45.100 0.007 0.000 0.950 67 G HN 0.447 nan 8.290 nan 0.000 0.587 68 I N 1.738 122.331 120.570 0.038 0.000 2.574 68 I HA 0.318 4.488 4.170 -0.001 0.000 0.291 68 I C 0.972 177.082 176.117 -0.011 0.000 1.131 68 I CA 0.803 62.129 61.300 0.043 0.000 1.352 68 I CB 0.302 38.366 38.000 0.107 0.000 1.431 68 I HN 0.570 nan 8.210 nan 0.000 0.543 69 T N 3.984 118.500 114.554 -0.064 0.000 2.906 69 T HA 0.559 4.908 4.350 -0.001 0.000 0.295 69 T C 0.802 175.375 174.700 -0.212 0.000 1.061 69 T CA -0.165 61.870 62.100 -0.109 0.000 1.000 69 T CB 1.835 70.639 68.868 -0.108 0.000 1.103 69 T HN 0.557 nan 8.240 nan 0.000 0.486 70 A N 1.900 124.580 122.820 -0.233 0.000 2.014 70 A HA 0.155 4.474 4.320 -0.001 0.000 0.218 70 A C 1.416 178.614 177.584 -0.643 0.000 1.163 70 A CA 1.477 53.267 52.037 -0.413 0.000 0.652 70 A CB -0.548 18.321 19.000 -0.219 0.000 0.808 70 A HN 0.940 nan 8.150 nan 0.000 0.449 71 T N -0.462 113.873 114.554 -0.365 0.000 3.368 71 T HA 0.460 4.810 4.350 -0.001 0.000 0.321 71 T C -2.707 171.860 174.700 -0.222 0.000 1.830 71 T CA -2.009 59.916 62.100 -0.290 0.000 1.494 71 T CB 0.362 69.141 68.868 -0.149 0.000 1.045 71 T HN 0.151 nan 8.240 nan 0.000 0.729 72 P HA 0.052 nan 4.420 nan 0.000 0.266 72 P C 1.490 178.728 177.300 -0.103 0.000 1.193 72 P CA -0.377 62.624 63.100 -0.164 0.000 0.770 72 P CB 0.646 32.247 31.700 -0.164 0.000 0.836 73 C N 0.253 119.509 119.300 -0.074 0.000 2.467 73 C HA 0.255 4.714 4.460 -0.001 0.000 0.279 73 C C 1.834 176.800 174.990 -0.039 0.000 1.347 73 C CA 0.653 59.642 59.018 -0.049 0.000 1.748 73 C CB -1.693 26.025 27.740 -0.037 0.000 1.977 73 C HN 0.769 nan 8.230 nan 0.000 0.501 74 G N 0.534 109.307 108.800 -0.045 0.000 2.198 74 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.260 74 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.260 74 G C 0.570 175.453 174.900 -0.029 0.000 1.025 74 G CA 1.007 46.084 45.100 -0.038 0.000 0.769 74 G HN 1.827 nan 8.290 nan 0.000 0.507 75 V N -3.951 115.948 119.914 -0.024 0.000 3.400 75 V HA 0.336 4.455 4.120 -0.001 0.000 0.281 75 V C 1.547 177.636 176.094 -0.008 0.000 1.617 75 V CA 0.528 62.819 62.300 -0.015 0.000 1.044 75 V CB -0.907 30.908 31.823 -0.013 0.000 0.858 75 V HN 1.281 nan 8.190 nan 0.000 0.425 76 C N -0.107 119.188 119.300 -0.008 0.000 2.563 76 C HA 0.497 4.956 4.460 -0.001 0.000 0.358 76 C C 1.789 176.792 174.990 0.022 0.000 1.336 76 C CA 0.423 59.444 59.018 0.006 0.000 2.454 76 C CB 0.727 28.471 27.740 0.006 0.000 2.448 76 C HN 0.492 nan 8.230 nan 0.000 0.670 77 D N 0.930 121.354 120.400 0.040 0.000 2.133 77 D HA -0.132 4.508 4.640 -0.001 0.000 0.195 77 D C 1.794 178.170 176.300 0.126 0.000 0.997 77 D CA 1.809 55.848 54.000 0.065 0.000 0.840 77 D CB -0.291 40.544 40.800 0.058 0.000 0.947 77 D HN 0.647 nan 8.370 nan 0.000 0.452 78 N N -0.105 118.683 118.700 0.147 0.000 2.080 78 N HA -0.102 4.637 4.740 -0.001 0.000 0.189 78 N C 2.038 177.511 175.510 -0.060 0.000 1.036 78 N CA 0.729 53.880 53.050 0.168 0.000 0.846 78 N CB -0.835 37.707 38.487 0.092 0.000 1.015 78 N HN 0.220 nan 8.380 nan 0.000 0.423 79 C N 0.746 120.006 119.300 -0.067 0.000 2.446 79 C HA 0.024 4.483 4.460 -0.001 0.000 0.277 79 C C 2.594 177.551 174.990 -0.055 0.000 1.275 79 C CA 0.379 59.342 59.018 -0.092 0.000 1.727 79 C CB -0.839 26.860 27.740 -0.069 0.000 2.010 79 C HN 0.454 nan 8.230 nan 0.000 0.486 80 R N 0.454 120.944 120.500 -0.016 0.000 2.115 80 R HA -0.073 4.267 4.340 -0.001 0.000 0.226 80 R C 2.070 178.382 176.300 0.019 0.000 1.100 80 R CA 0.954 57.051 56.100 -0.006 0.000 0.980 80 R CB -0.227 30.073 30.300 -0.000 0.000 0.875 80 R HN 0.640 nan 8.270 nan 0.000 0.445 81 E N 0.623 120.866 120.200 0.071 0.000 2.077 81 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 81 E C 1.916 178.589 176.600 0.121 0.000 0.989 81 E CA 1.087 57.575 56.400 0.147 0.000 0.800 81 E CB 0.031 29.936 29.700 0.342 0.000 0.746 81 E HN 0.290 nan 8.360 nan 0.000 0.452 82 I N 0.841 121.428 120.570 0.028 0.000 2.133 82 I HA -0.258 3.911 4.170 -0.001 0.000 0.238 82 I C 2.684 178.778 176.117 -0.039 0.000 1.074 82 I CA 1.175 62.444 61.300 -0.051 0.000 1.342 82 I CB -0.447 37.417 38.000 -0.226 0.000 1.053 82 I HN 0.160 nan 8.210 nan 0.000 0.404 83 E N 0.830 120.998 120.200 -0.053 0.000 2.136 83 E HA -0.327 4.022 4.350 -0.001 0.000 0.202 83 E C 2.206 178.785 176.600 -0.035 0.000 1.019 83 E CA 1.651 58.022 56.400 -0.049 0.000 0.819 83 E CB 0.036 29.705 29.700 -0.051 0.000 0.739 83 E HN 0.409 nan 8.360 nan 0.000 0.458 84 Q N -1.043 118.748 119.800 -0.015 0.000 1.993 84 Q HA -0.088 4.251 4.340 -0.001 0.000 0.202 84 Q C 1.911 177.908 176.000 -0.005 0.000 0.984 84 Q CA 1.969 57.767 55.803 -0.009 0.000 0.837 84 Q CB -0.072 28.672 28.738 0.009 0.000 0.902 84 Q HN 0.572 nan 8.270 nan 0.000 0.423 85 G N -1.120 107.688 108.800 0.013 0.000 2.672 85 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.197 85 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.197 85 G C 0.067 174.988 174.900 0.036 0.000 0.995 85 G CA -0.498 44.610 45.100 0.014 0.000 0.754 85 G HN 0.115 nan 8.290 nan 0.000 0.505 86 R N 0.172 120.704 120.500 0.053 0.000 2.415 86 R HA 0.473 4.813 4.340 -0.001 0.000 0.292 86 R C -1.720 174.639 176.300 0.100 0.000 1.295 86 R CA -0.518 55.614 56.100 0.053 0.000 1.137 86 R CB 0.854 31.163 30.300 0.014 0.000 1.135 86 R HN 0.168 nan 8.270 nan 0.000 0.560 87 F N 2.522 122.451 119.950 -0.035 0.000 2.427 87 F HA 0.164 4.690 4.527 -0.001 0.000 0.348 87 F C 1.266 177.041 175.800 -0.042 0.000 1.125 87 F CA -0.713 57.265 58.000 -0.036 0.000 0.989 87 F CB 1.245 40.223 39.000 -0.037 0.000 1.165 87 F HN 0.098 nan 8.300 nan 0.000 0.442 88 V N 3.319 122.851 119.914 -0.636 0.000 2.252 88 V HA -0.340 3.779 4.120 -0.001 0.000 0.255 88 V C 1.076 177.011 176.094 -0.266 0.000 1.071 88 V CA 2.334 64.383 62.300 -0.418 0.000 1.050 88 V CB -0.368 31.184 31.823 -0.451 0.000 0.654 88 V HN 0.712 nan 8.190 nan 0.000 0.448 89 D N -0.202 120.011 120.400 -0.312 0.000 2.587 89 D HA 0.239 4.878 4.640 -0.001 0.000 0.233 89 D C -0.219 176.277 176.300 0.326 0.000 1.213 89 D CA -0.046 54.008 54.000 0.089 0.000 0.827 89 D CB 0.765 41.667 40.800 0.169 0.000 1.006 89 D HN 0.193 nan 8.370 nan 0.000 0.490 90 L N 1.697 123.139 121.223 0.364 0.000 2.408 90 L HA 0.390 4.730 4.340 -0.001 0.000 0.257 90 L C -0.702 176.176 176.870 0.013 0.000 1.053 90 L CA -0.650 54.276 54.840 0.145 0.000 0.922 90 L CB 0.395 42.532 42.059 0.130 0.000 1.261 90 L HN -0.105 nan 8.230 nan 0.000 0.458 91 I N 3.230 123.731 120.570 -0.115 0.000 2.294 91 I HA 0.231 4.401 4.170 -0.001 0.000 0.295 91 I C 0.455 176.561 176.117 -0.017 0.000 1.098 91 I CA 0.028 61.260 61.300 -0.113 0.000 1.277 91 I CB 0.460 38.262 38.000 -0.330 0.000 1.434 91 I HN 0.544 nan 8.210 nan 0.000 0.498 92 E N 6.814 127.027 120.200 0.022 0.000 2.070 92 E HA 0.295 4.645 4.350 -0.001 0.000 0.261 92 E C -0.703 175.934 176.600 0.063 0.000 0.926 92 E CA -0.948 55.480 56.400 0.046 0.000 0.760 92 E CB 0.716 30.430 29.700 0.022 0.000 1.133 92 E HN 0.387 nan 8.360 nan 0.000 0.420 93 I N 3.620 124.251 120.570 0.100 0.000 2.496 93 I HA -0.015 4.154 4.170 -0.001 0.000 0.285 93 I C 0.450 176.599 176.117 0.054 0.000 1.080 93 I CA -0.386 60.966 61.300 0.087 0.000 1.404 93 I CB 1.007 39.080 38.000 0.121 0.000 1.403 93 I HN 0.449 nan 8.210 nan 0.000 0.539 94 D N 6.165 126.583 120.400 0.031 0.000 2.551 94 D HA 0.229 4.869 4.640 -0.001 0.000 0.223 94 D C 1.176 177.471 176.300 -0.010 0.000 1.144 94 D CA -0.024 53.983 54.000 0.011 0.000 1.025 94 D CB 0.419 41.223 40.800 0.007 0.000 1.085 94 D HN 0.615 nan 8.370 nan 0.000 0.506 95 A N 2.786 125.596 122.820 -0.018 0.000 2.139 95 A HA -0.119 4.200 4.320 -0.001 0.000 0.221 95 A C 2.040 179.567 177.584 -0.096 0.000 1.159 95 A CA 1.749 53.752 52.037 -0.058 0.000 0.662 95 A CB -0.180 18.779 19.000 -0.070 0.000 0.796 95 A HN 0.536 nan 8.150 nan 0.000 0.463 96 A N -0.501 122.269 122.820 -0.083 0.000 2.030 96 A HA 0.147 4.467 4.320 -0.001 0.000 0.215 96 A C 2.261 179.813 177.584 -0.053 0.000 1.164 96 A CA 1.518 53.500 52.037 -0.092 0.000 0.697 96 A CB -0.329 18.628 19.000 -0.072 0.000 0.827 96 A HN 0.793 nan 8.150 nan 0.000 0.457 97 S N -0.948 114.730 115.700 -0.036 0.000 2.497 97 S HA 0.211 4.680 4.470 -0.001 0.000 0.221 97 S C 0.886 175.470 174.600 -0.025 0.000 1.037 97 S CA -0.322 57.864 58.200 -0.023 0.000 0.920 97 S CB 0.099 63.292 63.200 -0.011 0.000 0.800 97 S HN 0.423 nan 8.310 nan 0.000 0.505 98 R N 2.200 122.682 120.500 -0.030 0.000 2.396 98 R HA 0.335 4.675 4.340 -0.001 0.000 0.292 98 R C 0.222 176.489 176.300 -0.055 0.000 1.240 98 R CA 0.376 56.458 56.100 -0.030 0.000 1.270 98 R CB 0.773 31.066 30.300 -0.011 0.000 1.108 98 R HN 0.554 nan 8.270 nan 0.000 0.573 99 T N -2.419 112.094 114.554 -0.068 0.000 2.964 99 T HA 0.154 4.503 4.350 -0.001 0.000 0.249 99 T C 0.786 175.429 174.700 -0.095 0.000 1.000 99 T CA -0.099 61.937 62.100 -0.107 0.000 0.992 99 T CB 0.541 69.347 68.868 -0.103 0.000 1.087 99 T HN 0.136 nan 8.240 nan 0.000 0.489 100 K N 0.880 121.243 120.400 -0.061 0.000 2.286 100 K HA 0.329 4.649 4.320 -0.001 0.000 0.256 100 K C 1.071 177.643 176.600 -0.047 0.000 0.999 100 K CA -0.157 56.099 56.287 -0.051 0.000 0.908 100 K CB 0.904 33.380 32.500 -0.040 0.000 0.981 100 K HN -0.124 nan 8.250 nan 0.000 0.500 101 V N 1.358 121.248 119.914 -0.039 0.000 2.407 101 V HA -0.186 3.934 4.120 -0.001 0.000 0.245 101 V C 2.159 178.245 176.094 -0.014 0.000 1.041 101 V CA 1.678 63.966 62.300 -0.020 0.000 1.040 101 V CB -0.531 31.295 31.823 0.004 0.000 0.671 101 V HN 0.864 nan 8.190 nan 0.000 0.455 102 E N 0.431 120.619 120.200 -0.019 0.000 2.172 102 E HA -0.362 3.987 4.350 -0.001 0.000 0.213 102 E C 1.619 178.219 176.600 -0.000 0.000 1.051 102 E CA 2.434 58.829 56.400 -0.009 0.000 0.860 102 E CB -0.118 29.574 29.700 -0.013 0.000 0.755 102 E HN 0.657 nan 8.360 nan 0.000 0.462 103 D N -1.586 118.810 120.400 -0.006 0.000 2.289 103 D HA -0.029 4.610 4.640 -0.001 0.000 0.207 103 D C 1.607 177.913 176.300 0.009 0.000 0.966 103 D CA 1.121 55.122 54.000 0.003 0.000 0.868 103 D CB 0.053 40.850 40.800 -0.005 0.000 0.943 103 D HN 0.139 nan 8.370 nan 0.000 0.514 104 T N -0.343 114.208 114.554 -0.004 0.000 2.937 104 T HA 0.033 4.382 4.350 -0.001 0.000 0.260 104 T C 1.894 176.602 174.700 0.012 0.000 1.051 104 T CA 0.408 62.506 62.100 -0.004 0.000 1.141 104 T CB 0.165 69.011 68.868 -0.035 0.000 0.879 104 T HN 0.017 nan 8.240 nan 0.000 0.459 105 R N 1.021 121.530 120.500 0.015 0.000 2.096 105 R HA -0.077 4.263 4.340 -0.001 0.000 0.235 105 R C 1.869 178.194 176.300 0.041 0.000 1.127 105 R CA 1.421 57.537 56.100 0.026 0.000 0.968 105 R CB -0.110 30.205 30.300 0.025 0.000 0.861 105 R HN 0.263 nan 8.270 nan 0.000 0.440 106 D N 0.156 120.581 120.400 0.041 0.000 2.234 106 D HA -0.100 4.539 4.640 -0.001 0.000 0.205 106 D C 1.662 178.008 176.300 0.076 0.000 0.962 106 D CA 0.523 54.555 54.000 0.054 0.000 0.855 106 D CB 0.003 40.827 40.800 0.040 0.000 0.951 106 D HN 0.072 nan 8.370 nan 0.000 0.500 107 L N 0.109 121.377 121.223 0.076 0.000 2.141 107 L HA -0.020 4.320 4.340 -0.001 0.000 0.209 107 L C 1.550 178.490 176.870 0.116 0.000 1.094 107 L CA 1.425 56.335 54.840 0.116 0.000 0.763 107 L CB -0.056 42.070 42.059 0.111 0.000 0.908 107 L HN -0.020 nan 8.230 nan 0.000 0.437 108 L N -1.181 120.083 121.223 0.069 0.000 2.667 108 L HA 0.136 4.475 4.340 -0.001 0.000 0.232 108 L C 1.286 178.212 176.870 0.093 0.000 1.138 108 L CA -0.258 54.612 54.840 0.049 0.000 0.921 108 L CB -0.413 41.654 42.059 0.013 0.000 1.180 108 L HN 0.116 nan 8.230 nan 0.000 0.487 109 D N 0.500 120.972 120.400 0.119 0.000 2.149 109 D HA -0.117 4.522 4.640 -0.001 0.000 0.201 109 D C 1.650 178.110 176.300 0.267 0.000 0.972 109 D CA 1.058 55.152 54.000 0.157 0.000 0.835 109 D CB 0.028 40.913 40.800 0.141 0.000 0.966 109 D HN 0.126 nan 8.370 nan 0.000 0.476 110 N N 0.281 119.148 118.700 0.278 0.000 2.521 110 N HA -0.065 4.675 4.740 -0.001 0.000 0.188 110 N C 1.572 177.334 175.510 0.420 0.000 1.146 110 N CA -0.027 53.257 53.050 0.390 0.000 0.893 110 N CB 0.287 38.917 38.487 0.237 0.000 0.975 110 N HN 0.029 nan 8.380 nan 0.000 0.451 111 V N 0.338 120.434 119.914 0.303 0.000 2.515 111 V HA -0.202 3.917 4.120 -0.001 0.000 0.250 111 V C 2.260 178.505 176.094 0.253 0.000 1.058 111 V CA 1.629 64.096 62.300 0.279 0.000 1.064 111 V CB -0.062 31.805 31.823 0.073 0.000 0.675 111 V HN 0.199 nan 8.190 nan 0.000 0.461 112 Q N 0.162 120.067 119.800 0.174 0.000 2.083 112 Q HA -0.085 4.254 4.340 -0.001 0.000 0.198 112 Q C 0.361 176.415 176.000 0.090 0.000 0.969 112 Q CA 1.119 56.966 55.803 0.073 0.000 0.838 112 Q CB -0.559 28.081 28.738 -0.162 0.000 0.900 112 Q HN 0.697 nan 8.270 nan 0.000 0.436 113 Y N 0.760 121.179 120.300 0.198 0.000 2.702 113 Y HA 0.198 4.747 4.550 -0.001 0.000 0.336 113 Y C 0.761 176.750 175.900 0.149 0.000 1.235 113 Y CA -0.170 58.006 58.100 0.126 0.000 1.492 113 Y CB 0.008 38.520 38.460 0.087 0.000 1.308 113 Y HN 0.178 nan 8.280 nan 0.000 0.589 114 A N 6.003 128.892 122.820 0.115 0.000 2.483 114 A HA 0.212 4.532 4.320 -0.001 0.000 0.238 114 A C -2.123 175.532 177.584 0.117 0.000 1.070 114 A CA -1.326 50.701 52.037 -0.017 0.000 0.770 114 A CB -0.601 18.338 19.000 -0.103 0.000 1.008 114 A HN 0.557 nan 8.150 nan 0.000 0.497 115 P HA 0.193 nan 4.420 nan 0.000 0.271 115 P C 0.551 177.865 177.300 0.023 0.000 1.226 115 P CA 0.535 63.696 63.100 0.102 0.000 0.765 115 P CB 1.206 32.986 31.700 0.132 0.000 0.835 116 A N 5.337 128.146 122.820 -0.018 0.000 1.873 116 A HA -0.130 4.190 4.320 -0.001 0.000 0.215 116 A C 2.148 179.686 177.584 -0.078 0.000 1.186 116 A CA 1.121 53.124 52.037 -0.057 0.000 0.616 116 A CB -0.396 18.551 19.000 -0.087 0.000 0.823 116 A HN 0.407 nan 8.150 nan 0.000 0.442 117 R N -1.323 119.103 120.500 -0.124 0.000 2.225 117 R HA 0.202 4.541 4.340 -0.001 0.000 0.194 117 R C 0.846 177.153 176.300 0.012 0.000 0.957 117 R CA 0.909 56.931 56.100 -0.129 0.000 1.042 117 R CB 0.510 30.579 30.300 -0.384 0.000 1.004 117 R HN 0.507 nan 8.270 nan 0.000 0.509 118 G N -0.902 107.948 108.800 0.084 0.000 2.827 118 G HA2 0.275 4.235 3.960 -0.001 0.000 0.296 118 G HA3 0.275 4.235 3.960 -0.001 0.000 0.296 118 G C 0.096 175.046 174.900 0.083 0.000 1.362 118 G CA -0.658 44.541 45.100 0.166 0.000 0.809 118 G HN -0.075 nan 8.290 nan 0.000 0.522 119 R N -1.246 119.287 120.500 0.055 0.000 2.105 119 R HA 0.043 4.383 4.340 -0.001 0.000 0.239 119 R C -0.220 175.888 176.300 -0.320 0.000 1.135 119 R CA 1.207 57.219 56.100 -0.147 0.000 0.967 119 R CB -0.124 30.114 30.300 -0.104 0.000 0.861 119 R HN 0.277 nan 8.270 nan 0.000 0.442 120 F N -0.278 119.728 119.950 0.093 0.000 2.591 120 F HA 0.320 4.847 4.527 -0.001 0.000 0.309 120 F C -0.265 175.575 175.800 0.068 0.000 1.098 120 F CA -1.171 56.880 58.000 0.085 0.000 0.937 120 F CB 1.826 40.852 39.000 0.043 0.000 1.250 120 F HN -0.367 nan 8.300 nan 0.000 0.447 121 K N 2.515 123.059 120.400 0.240 0.000 2.292 121 K HA 0.474 4.793 4.320 -0.001 0.000 0.290 121 K C -1.175 175.400 176.600 -0.040 0.000 1.083 121 K CA -0.152 56.171 56.287 0.061 0.000 0.918 121 K CB 0.460 32.986 32.500 0.042 0.000 1.089 121 K HN 0.434 nan 8.250 nan 0.000 0.473 122 V N 6.254 126.113 119.914 -0.092 0.000 2.333 122 V HA 0.163 4.283 4.120 -0.001 0.000 0.274 122 V C -0.724 175.224 176.094 -0.243 0.000 1.028 122 V CA -0.733 61.491 62.300 -0.126 0.000 0.851 122 V CB 0.126 31.907 31.823 -0.070 0.000 1.000 122 V HN 0.552 nan 8.190 nan 0.000 0.456 123 Y N 5.186 125.375 120.300 -0.185 0.000 2.350 123 Y HA 0.518 5.068 4.550 -0.001 0.000 0.340 123 Y C 0.036 175.958 175.900 0.037 0.000 1.006 123 Y CA -0.648 57.399 58.100 -0.088 0.000 1.166 123 Y CB 1.444 39.801 38.460 -0.171 0.000 1.168 123 Y HN 0.511 nan 8.280 nan 0.000 0.502 124 L N 6.287 127.618 121.223 0.179 0.000 2.384 124 L HA 0.506 4.845 4.340 -0.001 0.000 0.261 124 L C -1.113 175.857 176.870 0.167 0.000 1.024 124 L CA -0.576 54.353 54.840 0.149 0.000 0.899 124 L CB -0.077 42.014 42.059 0.055 0.000 1.243 124 L HN 0.486 nan 8.230 nan 0.000 0.449 125 I N 3.425 124.127 120.570 0.220 0.000 2.308 125 I HA 0.235 4.405 4.170 -0.001 0.000 0.293 125 I C -0.165 176.035 176.117 0.139 0.000 1.078 125 I CA -0.205 61.201 61.300 0.176 0.000 1.292 125 I CB 0.688 38.806 38.000 0.197 0.000 1.423 125 I HN 0.494 nan 8.210 nan 0.000 0.493 126 D N 6.131 126.587 120.400 0.093 0.000 2.228 126 D HA 0.160 4.799 4.640 -0.001 0.000 0.247 126 D C 0.145 176.475 176.300 0.049 0.000 0.995 126 D CA 0.016 54.064 54.000 0.080 0.000 0.903 126 D CB 1.079 41.910 40.800 0.053 0.000 1.205 126 D HN 0.386 nan 8.370 nan 0.000 0.459 127 E N 1.053 121.297 120.200 0.073 0.000 2.269 127 E HA -0.165 4.185 4.350 -0.001 0.000 0.223 127 E C 0.871 177.356 176.600 -0.192 0.000 1.244 127 E CA 0.300 56.705 56.400 0.010 0.000 0.713 127 E CB -1.905 27.786 29.700 -0.015 0.000 1.178 127 E HN 0.300 nan 8.360 nan 0.000 0.370 128 V N 1.173 121.092 119.914 0.008 0.000 3.041 128 V HA -0.190 3.930 4.120 -0.001 0.000 0.260 128 V C 2.358 178.506 176.094 0.091 0.000 1.105 128 V CA 1.916 64.239 62.300 0.037 0.000 1.125 128 V CB -0.540 31.390 31.823 0.178 0.000 0.730 128 V HN 0.640 nan 8.190 nan 0.000 0.479 129 H N -1.398 117.796 119.070 0.207 0.000 2.541 129 H HA -0.101 4.455 4.556 -0.001 0.000 0.289 129 H C 1.745 177.203 175.328 0.217 0.000 1.054 129 H CA 1.210 57.417 56.048 0.265 0.000 1.250 129 H CB -0.451 29.405 29.762 0.158 0.000 1.369 129 H HN 0.389 nan 8.280 nan 0.000 0.578 130 M N 1.080 120.529 119.600 -0.253 0.000 2.506 130 M HA 0.172 4.651 4.480 -0.001 0.000 0.260 130 M C 0.896 177.101 176.300 -0.158 0.000 1.104 130 M CA -0.017 55.186 55.300 -0.161 0.000 1.112 130 M CB -0.291 32.161 32.600 -0.246 0.000 1.401 130 M HN 0.133 nan 8.290 nan 0.000 0.473 131 L N 1.105 122.111 121.223 -0.361 0.000 2.483 131 L HA 0.033 4.373 4.340 -0.001 0.000 0.276 131 L C 1.262 177.850 176.870 -0.470 0.000 1.213 131 L CA -0.414 54.082 54.840 -0.574 0.000 0.843 131 L CB 0.115 41.549 42.059 -1.042 0.000 1.107 131 L HN 0.242 nan 8.230 nan 0.000 0.487 132 S N 2.741 118.293 115.700 -0.247 0.000 2.606 132 S HA 0.151 4.621 4.470 -0.001 0.000 0.257 132 S C 1.342 175.991 174.600 0.082 0.000 1.327 132 S CA -0.572 57.608 58.200 -0.034 0.000 0.984 132 S CB 0.833 64.041 63.200 0.014 0.000 0.941 132 S HN 0.564 nan 8.310 nan 0.000 0.576 133 R N 0.745 121.357 120.500 0.186 0.000 2.103 133 R HA -0.151 4.188 4.340 -0.001 0.000 0.234 133 R C 2.177 178.568 176.300 0.152 0.000 1.132 133 R CA 2.479 58.698 56.100 0.198 0.000 0.925 133 R CB -1.842 28.533 30.300 0.124 0.000 0.842 133 R HN 0.853 nan 8.270 nan 0.000 0.430 134 H N -0.072 119.028 119.070 0.050 0.000 2.352 134 H HA -0.028 4.527 4.556 -0.001 0.000 0.299 134 H C 2.355 177.687 175.328 0.007 0.000 1.097 134 H CA 1.860 57.926 56.048 0.029 0.000 1.311 134 H CB -0.264 29.503 29.762 0.008 0.000 1.377 134 H HN 0.128 nan 8.280 nan 0.000 0.504 135 S N -0.437 115.306 115.700 0.072 0.000 2.383 135 S HA -0.160 4.310 4.470 -0.001 0.000 0.229 135 S C 1.873 176.430 174.600 -0.072 0.000 1.030 135 S CA 1.069 59.234 58.200 -0.058 0.000 1.002 135 S CB -0.374 62.716 63.200 -0.183 0.000 0.829 135 S HN 0.308 nan 8.310 nan 0.000 0.467 136 F N 1.769 121.722 119.950 0.005 0.000 2.102 136 F HA -0.152 4.374 4.527 -0.001 0.000 0.298 136 F C 2.441 178.216 175.800 -0.042 0.000 1.105 136 F CA 0.979 58.965 58.000 -0.024 0.000 1.239 136 F CB -0.437 38.550 39.000 -0.021 0.000 0.991 136 F HN 0.150 nan 8.300 nan 0.000 0.474 137 N N 0.484 119.278 118.700 0.156 0.000 2.060 137 N HA -0.242 4.498 4.740 -0.001 0.000 0.195 137 N C 1.778 177.307 175.510 0.032 0.000 1.028 137 N CA 1.573 54.656 53.050 0.054 0.000 0.861 137 N CB -0.640 37.847 38.487 -0.000 0.000 1.029 137 N HN 0.286 nan 8.380 nan 0.000 0.428 138 A N 0.533 123.373 122.820 0.033 0.000 1.851 138 A HA -0.149 4.171 4.320 -0.001 0.000 0.216 138 A C 2.156 179.730 177.584 -0.018 0.000 1.195 138 A CA 1.530 53.573 52.037 0.011 0.000 0.622 138 A CB -1.144 17.862 19.000 0.010 0.000 0.831 138 A HN 0.319 nan 8.150 nan 0.000 0.444 139 L N -0.493 120.714 121.223 -0.028 0.000 1.978 139 L HA -0.222 4.118 4.340 -0.001 0.000 0.218 139 L C 2.296 179.096 176.870 -0.117 0.000 1.075 139 L CA 2.563 57.343 54.840 -0.099 0.000 0.767 139 L CB -1.055 40.972 42.059 -0.053 0.000 0.890 139 L HN 0.397 nan 8.230 nan 0.000 0.434 140 L N 0.086 121.284 121.223 -0.042 0.000 2.030 140 L HA -0.333 4.007 4.340 -0.001 0.000 0.222 140 L C 2.560 179.396 176.870 -0.057 0.000 1.082 140 L CA 2.330 57.142 54.840 -0.047 0.000 0.785 140 L CB -0.872 41.178 42.059 -0.015 0.000 0.895 140 L HN 0.372 nan 8.230 nan 0.000 0.439 141 K N -1.778 118.599 120.400 -0.038 0.000 2.211 141 K HA -0.137 4.182 4.320 -0.001 0.000 0.204 141 K C 1.838 178.420 176.600 -0.031 0.000 1.047 141 K CA 1.724 57.995 56.287 -0.027 0.000 0.935 141 K CB -0.206 32.286 32.500 -0.012 0.000 0.728 141 K HN 0.466 nan 8.250 nan 0.000 0.452 142 T N 1.055 115.577 114.554 -0.054 0.000 2.937 142 T HA 0.054 4.403 4.350 -0.001 0.000 0.260 142 T C 1.644 176.312 174.700 -0.052 0.000 1.051 142 T CA 0.566 62.643 62.100 -0.038 0.000 1.141 142 T CB 0.074 68.916 68.868 -0.042 0.000 0.879 142 T HN 0.090 nan 8.240 nan 0.000 0.459 143 L N 0.691 121.827 121.223 -0.145 0.000 2.291 143 L HA 0.034 4.373 4.340 -0.001 0.000 0.214 143 L C 2.399 179.250 176.870 -0.032 0.000 1.120 143 L CA 1.144 55.933 54.840 -0.086 0.000 0.799 143 L CB -0.356 41.628 42.059 -0.126 0.000 0.925 143 L HN 0.283 nan 8.230 nan 0.000 0.446 144 E N 0.089 120.261 120.200 -0.047 0.000 2.371 144 E HA -0.046 4.304 4.350 -0.001 0.000 0.194 144 E C -0.038 176.527 176.600 -0.059 0.000 1.012 144 E CA 0.429 56.797 56.400 -0.054 0.000 0.860 144 E CB 0.361 30.038 29.700 -0.038 0.000 0.811 144 E HN 0.471 nan 8.360 nan 0.000 0.502 145 E N 1.014 121.193 120.200 -0.034 0.000 3.352 145 E HA 0.170 4.519 4.350 -0.001 0.000 0.254 145 E C -2.640 173.975 176.600 0.025 0.000 1.229 145 E CA -1.527 54.864 56.400 -0.016 0.000 0.949 145 E CB 1.226 30.925 29.700 -0.002 0.000 1.373 145 E HN -0.000 nan 8.360 nan 0.000 0.392 146 P HA 0.202 nan 4.420 nan 0.000 0.281 146 P C -2.408 174.968 177.300 0.127 0.000 1.286 146 P CA -1.382 61.799 63.100 0.136 0.000 0.772 146 P CB -0.006 31.796 31.700 0.170 0.000 0.862 147 P HA -0.053 nan 4.420 nan 0.000 0.266 147 P C 1.067 178.453 177.300 0.145 0.000 1.193 147 P CA 0.212 63.382 63.100 0.116 0.000 0.770 147 P CB 0.681 32.381 31.700 -0.000 0.000 0.836 148 E N 1.905 122.265 120.200 0.266 0.000 2.077 148 E HA -0.224 4.125 4.350 -0.001 0.000 0.193 148 E C 1.550 178.360 176.600 0.349 0.000 0.989 148 E CA 1.588 58.154 56.400 0.277 0.000 0.800 148 E CB -0.540 29.293 29.700 0.221 0.000 0.746 148 E HN 0.544 nan 8.360 nan 0.000 0.452 149 H N -1.102 118.072 119.070 0.173 0.000 2.556 149 H HA 0.133 4.689 4.556 -0.001 0.000 0.268 149 H C 0.165 175.703 175.328 0.350 0.000 0.996 149 H CA 0.267 56.416 56.048 0.170 0.000 1.157 149 H CB -0.890 28.906 29.762 0.057 0.000 1.355 149 H HN -0.075 nan 8.280 nan 0.000 0.597 150 V N 1.783 121.694 119.914 -0.005 0.000 2.532 150 V HA 0.384 4.503 4.120 -0.001 0.000 0.295 150 V C 0.086 176.212 176.094 0.053 0.000 1.041 150 V CA -0.916 61.358 62.300 -0.043 0.000 0.926 150 V CB 2.033 33.734 31.823 -0.203 0.000 0.992 150 V HN 0.085 nan 8.190 nan 0.000 0.457 151 K N 2.741 123.103 120.400 -0.064 0.000 2.422 151 K HA 0.624 4.944 4.320 -0.001 0.000 0.251 151 K C -1.429 175.092 176.600 -0.132 0.000 0.933 151 K CA -0.434 55.831 56.287 -0.036 0.000 0.798 151 K CB 2.252 34.660 32.500 -0.153 0.000 1.238 151 K HN 0.464 nan 8.250 nan 0.000 0.428 152 F N 1.984 122.048 119.950 0.191 0.000 2.443 152 F HA 0.486 5.013 4.527 -0.001 0.000 0.335 152 F C 0.228 176.158 175.800 0.216 0.000 1.104 152 F CA -0.765 57.358 58.000 0.205 0.000 1.013 152 F CB 1.225 40.325 39.000 0.167 0.000 1.136 152 F HN 0.051 nan 8.300 nan 0.000 0.470 153 L N 5.519 126.977 121.223 0.393 0.000 2.345 153 L HA 0.432 4.772 4.340 -0.001 0.000 0.274 153 L C -1.025 176.057 176.870 0.355 0.000 0.999 153 L CA -0.424 54.636 54.840 0.367 0.000 0.849 153 L CB 1.246 43.449 42.059 0.240 0.000 1.220 153 L HN 0.472 nan 8.230 nan 0.000 0.422 154 L N 3.411 124.850 121.223 0.361 0.000 2.264 154 L HA 0.689 5.028 4.340 -0.001 0.000 0.289 154 L C 0.202 177.268 176.870 0.326 0.000 1.044 154 L CA -0.329 54.685 54.840 0.291 0.000 0.807 154 L CB 1.708 43.900 42.059 0.222 0.000 1.192 154 L HN 0.634 nan 8.230 nan 0.000 0.425 155 A N 2.633 125.613 122.820 0.265 0.000 2.343 155 A HA 0.748 5.067 4.320 -0.001 0.000 0.308 155 A C -0.467 177.247 177.584 0.217 0.000 1.092 155 A CA -0.421 51.770 52.037 0.256 0.000 0.751 155 A CB 1.913 21.020 19.000 0.178 0.000 1.203 155 A HN 0.584 nan 8.150 nan 0.000 0.452 156 T N 0.387 115.076 114.554 0.225 0.000 2.868 156 T HA 0.505 4.855 4.350 -0.001 0.000 0.306 156 T C 0.943 175.745 174.700 0.170 0.000 1.224 156 T CA 0.382 62.636 62.100 0.256 0.000 1.012 156 T CB 1.412 70.478 68.868 0.331 0.000 1.221 156 T HN 0.541 nan 8.240 nan 0.000 0.499 157 T N 1.102 115.729 114.554 0.121 0.000 2.894 157 T HA 0.115 4.464 4.350 -0.001 0.000 0.258 157 T C 0.398 175.092 174.700 -0.009 0.000 1.043 157 T CA 0.500 62.621 62.100 0.035 0.000 1.141 157 T CB -0.110 68.753 68.868 -0.009 0.000 0.873 157 T HN 0.558 nan 8.240 nan 0.000 0.449 158 D N 2.353 122.679 120.400 -0.123 0.000 2.493 158 D HA 0.232 4.871 4.640 -0.001 0.000 0.235 158 D C -1.707 174.584 176.300 -0.015 0.000 1.117 158 D CA -2.640 51.291 54.000 -0.115 0.000 0.930 158 D CB 1.412 42.059 40.800 -0.256 0.000 1.010 158 D HN 0.048 nan 8.370 nan 0.000 0.514 159 P HA -0.149 nan 4.420 nan 0.000 0.220 159 P C 1.311 178.613 177.300 0.003 0.000 1.152 159 P CA 0.632 63.760 63.100 0.046 0.000 0.812 159 P CB 0.394 32.125 31.700 0.052 0.000 0.792 160 Q N 1.323 121.116 119.800 -0.012 0.000 2.308 160 Q HA -0.179 4.161 4.340 -0.001 0.000 0.209 160 Q C 1.890 177.871 176.000 -0.032 0.000 0.985 160 Q CA 1.873 57.658 55.803 -0.031 0.000 0.881 160 Q CB -0.546 28.174 28.738 -0.030 0.000 0.917 160 Q HN 0.177 nan 8.270 nan 0.000 0.443 161 K N -0.136 120.262 120.400 -0.003 0.000 2.366 161 K HA 0.079 4.398 4.320 -0.001 0.000 0.198 161 K C 0.150 176.713 176.600 -0.062 0.000 1.044 161 K CA 0.091 56.391 56.287 0.021 0.000 0.973 161 K CB 0.067 32.635 32.500 0.113 0.000 0.767 161 K HN 0.291 nan 8.250 nan 0.000 0.475 162 L N 2.938 124.083 121.223 -0.129 0.000 2.456 162 L HA 0.121 4.460 4.340 -0.001 0.000 0.272 162 L C -2.207 174.438 176.870 -0.375 0.000 1.189 162 L CA -2.041 52.551 54.840 -0.412 0.000 0.846 162 L CB -0.370 41.532 42.059 -0.262 0.000 1.111 162 L HN -0.200 nan 8.230 nan 0.000 0.475 163 P HA -0.057 nan 4.420 nan 0.000 0.269 163 P C 0.789 177.961 177.300 -0.214 0.000 1.209 163 P CA -0.141 62.775 63.100 -0.306 0.000 0.776 163 P CB 0.858 32.365 31.700 -0.322 0.000 0.876 164 V N 2.842 122.670 119.914 -0.143 0.000 2.380 164 V HA -0.245 3.874 4.120 -0.001 0.000 0.251 164 V C 1.778 177.807 176.094 -0.108 0.000 1.063 164 V CA 2.948 65.182 62.300 -0.111 0.000 1.055 164 V CB -1.534 30.238 31.823 -0.084 0.000 0.657 164 V HN 0.789 nan 8.190 nan 0.000 0.455 165 T N -3.006 111.481 114.554 -0.111 0.000 3.227 165 T HA 0.118 4.467 4.350 -0.001 0.000 0.257 165 T C 1.345 175.988 174.700 -0.094 0.000 1.162 165 T CA 1.360 63.407 62.100 -0.089 0.000 1.051 165 T CB -0.290 68.530 68.868 -0.080 0.000 0.953 165 T HN 0.607 nan 8.240 nan 0.000 0.535 166 I N -1.196 119.299 120.570 -0.125 0.000 4.398 166 I HA 0.226 4.396 4.170 -0.001 0.000 0.310 166 I C 1.753 177.810 176.117 -0.100 0.000 1.232 166 I CA -0.047 61.185 61.300 -0.114 0.000 1.312 166 I CB 0.268 38.169 38.000 -0.166 0.000 1.347 166 I HN 0.148 nan 8.210 nan 0.000 0.454 167 L N 1.131 122.283 121.223 -0.117 0.000 2.275 167 L HA -0.115 4.225 4.340 -0.001 0.000 0.215 167 L C 2.269 179.081 176.870 -0.098 0.000 1.119 167 L CA 1.412 56.189 54.840 -0.104 0.000 0.790 167 L CB -0.500 41.496 42.059 -0.105 0.000 0.919 167 L HN 0.266 nan 8.230 nan 0.000 0.443 168 S N -1.391 114.260 115.700 -0.082 0.000 2.650 168 S HA 0.107 4.576 4.470 -0.001 0.000 0.219 168 S C 1.518 176.095 174.600 -0.037 0.000 0.960 168 S CA -0.113 58.049 58.200 -0.064 0.000 0.925 168 S CB 0.033 63.200 63.200 -0.055 0.000 0.775 168 S HN 0.289 nan 8.310 nan 0.000 0.525 169 R N -0.184 120.294 120.500 -0.036 0.000 2.549 169 R HA 0.389 4.729 4.340 -0.001 0.000 0.344 169 R C -0.802 175.475 176.300 -0.038 0.000 0.979 169 R CA -0.199 55.920 56.100 0.030 0.000 1.140 169 R CB -0.034 30.297 30.300 0.052 0.000 1.377 169 R HN 0.377 nan 8.270 nan 0.000 0.541 170 C N 1.180 120.406 119.300 -0.123 0.000 2.563 170 C HA 0.460 4.919 4.460 -0.001 0.000 0.314 170 C C -0.039 174.760 174.990 -0.317 0.000 1.199 170 C CA -1.233 57.656 59.018 -0.215 0.000 1.564 170 C CB 1.608 29.263 27.740 -0.140 0.000 2.173 170 C HN 0.268 nan 8.230 nan 0.000 0.485 171 L N 3.504 124.417 121.223 -0.517 0.000 2.369 171 L HA 0.304 4.643 4.340 -0.001 0.000 0.279 171 L C 0.258 176.771 176.870 -0.594 0.000 1.108 171 L CA 0.838 55.272 54.840 -0.678 0.000 0.852 171 L CB 0.196 41.562 42.059 -1.154 0.000 1.169 171 L HN 0.806 nan 8.230 nan 0.000 0.452 172 Q N 4.589 124.079 119.800 -0.517 0.000 2.314 172 Q HA 0.355 4.694 4.340 -0.001 0.000 0.259 172 Q C -1.612 174.094 176.000 -0.490 0.000 0.951 172 Q CA -0.519 55.054 55.803 -0.383 0.000 0.909 172 Q CB 0.796 29.410 28.738 -0.207 0.000 1.236 172 Q HN 0.610 nan 8.270 nan 0.000 0.444 173 F N 2.975 122.770 119.950 -0.258 0.000 2.385 173 F HA 0.212 4.739 4.527 -0.001 0.000 0.360 173 F C -0.023 175.804 175.800 0.045 0.000 1.122 173 F CA -0.734 57.200 58.000 -0.110 0.000 1.090 173 F CB 0.874 39.765 39.000 -0.181 0.000 1.150 173 F HN 0.633 nan 8.300 nan 0.000 0.472 174 H N 4.556 123.730 119.070 0.172 0.000 2.782 174 H HA 0.369 4.924 4.556 -0.001 0.000 0.285 174 H C -0.479 175.023 175.328 0.290 0.000 1.093 174 H CA -0.428 55.722 56.048 0.170 0.000 1.410 174 H CB 0.447 30.260 29.762 0.086 0.000 1.439 174 H HN 0.512 nan 8.280 nan 0.000 0.469 175 L N 5.329 126.504 121.223 -0.079 0.000 2.410 175 L HA 0.133 4.473 4.340 -0.001 0.000 0.273 175 L C 0.619 177.410 176.870 -0.131 0.000 1.152 175 L CA -0.016 54.811 54.840 -0.020 0.000 0.855 175 L CB 0.435 42.469 42.059 -0.042 0.000 1.129 175 L HN 0.621 nan 8.230 nan 0.000 0.463 176 K N 1.987 122.455 120.400 0.114 0.000 2.202 176 K HA 0.464 4.783 4.320 -0.001 0.000 0.264 176 K C 0.107 176.719 176.600 0.021 0.000 1.010 176 K CA -0.573 55.754 56.287 0.066 0.000 0.940 176 K CB 1.061 33.619 32.500 0.097 0.000 0.983 176 K HN 0.711 nan 8.250 nan 0.000 0.475 177 A N 2.705 125.537 122.820 0.019 0.000 2.386 177 A HA 0.231 4.550 4.320 -0.001 0.000 0.248 177 A C 0.067 177.661 177.584 0.016 0.000 1.082 177 A CA -0.443 51.600 52.037 0.011 0.000 0.789 177 A CB 0.100 19.111 19.000 0.018 0.000 1.025 177 A HN 0.618 nan 8.150 nan 0.000 0.490 178 L N 0.933 122.160 121.223 0.007 0.000 2.436 178 L HA 0.198 4.537 4.340 -0.001 0.000 0.265 178 L C 0.341 177.215 176.870 0.008 0.000 1.168 178 L CA -0.508 54.336 54.840 0.006 0.000 0.815 178 L CB 0.704 42.761 42.059 -0.003 0.000 1.109 178 L HN 0.857 nan 8.230 nan 0.000 0.462 179 D N 0.424 120.829 120.400 0.008 0.000 2.302 179 D HA 0.141 4.781 4.640 -0.001 0.000 0.248 179 D C 0.990 177.294 176.300 0.007 0.000 1.094 179 D CA -0.503 53.502 54.000 0.008 0.000 0.897 179 D CB 1.617 42.422 40.800 0.008 0.000 1.200 179 D HN 0.254 nan 8.370 nan 0.000 0.429 180 V N 2.711 122.629 119.914 0.007 0.000 2.252 180 V HA -0.309 3.811 4.120 -0.001 0.000 0.255 180 V C 2.226 178.326 176.094 0.011 0.000 1.071 180 V CA 2.447 64.751 62.300 0.006 0.000 1.050 180 V CB -1.126 30.701 31.823 0.007 0.000 0.654 180 V HN 0.728 nan 8.190 nan 0.000 0.448 181 E N 0.322 120.531 120.200 0.015 0.000 2.072 181 E HA -0.217 4.132 4.350 -0.001 0.000 0.191 181 E C 2.247 178.870 176.600 0.038 0.000 0.985 181 E CA 1.631 58.048 56.400 0.028 0.000 0.801 181 E CB -0.422 29.293 29.700 0.025 0.000 0.750 181 E HN 0.702 nan 8.360 nan 0.000 0.452 182 Q N 0.000 119.812 119.800 0.020 0.000 2.077 182 Q HA -0.193 4.146 4.340 -0.001 0.000 0.206 182 Q C 2.408 178.422 176.000 0.022 0.000 0.989 182 Q CA 1.857 57.670 55.803 0.017 0.000 0.853 182 Q CB -0.298 28.442 28.738 0.003 0.000 0.907 182 Q HN 0.429 nan 8.270 nan 0.000 0.418 183 I N 0.200 120.775 120.570 0.008 0.000 2.179 183 I HA -0.277 3.893 4.170 -0.001 0.000 0.242 183 I C 2.736 178.844 176.117 -0.014 0.000 1.088 183 I CA 1.037 62.332 61.300 -0.009 0.000 1.357 183 I CB -0.380 37.612 38.000 -0.013 0.000 1.051 183 I HN 0.214 nan 8.210 nan 0.000 0.409 184 R N 0.195 120.695 120.500 0.001 0.000 2.080 184 R HA -0.245 4.094 4.340 -0.001 0.000 0.236 184 R C 2.593 178.882 176.300 -0.018 0.000 1.137 184 R CA 1.738 57.830 56.100 -0.013 0.000 0.943 184 R CB -0.556 29.748 30.300 0.006 0.000 0.846 184 R HN 0.425 nan 8.270 nan 0.000 0.431 185 H N 0.099 119.143 119.070 -0.044 0.000 2.387 185 H HA -0.162 4.393 4.556 -0.001 0.000 0.299 185 H C 1.931 177.229 175.328 -0.050 0.000 1.099 185 H CA 2.118 58.144 56.048 -0.037 0.000 1.315 185 H CB 0.263 30.015 29.762 -0.017 0.000 1.380 185 H HN 0.265 nan 8.280 nan 0.000 0.513 186 Q N 0.657 120.481 119.800 0.039 0.000 2.172 186 Q HA -0.032 4.307 4.340 -0.001 0.000 0.200 186 Q C 2.548 178.444 176.000 -0.174 0.000 0.964 186 Q CA 0.940 56.709 55.803 -0.058 0.000 0.855 186 Q CB -0.269 28.431 28.738 -0.064 0.000 0.918 186 Q HN 0.489 nan 8.270 nan 0.000 0.444 187 L N -0.126 120.998 121.223 -0.166 0.000 2.072 187 L HA -0.118 4.222 4.340 -0.001 0.000 0.205 187 L C 2.431 179.114 176.870 -0.311 0.000 1.079 187 L CA 1.582 56.290 54.840 -0.221 0.000 0.752 187 L CB -0.490 41.473 42.059 -0.160 0.000 0.906 187 L HN 0.386 nan 8.230 nan 0.000 0.436 188 E N -0.416 119.593 120.200 -0.318 0.000 2.012 188 E HA -0.315 4.035 4.350 -0.001 0.000 0.197 188 E C 2.261 178.625 176.600 -0.394 0.000 1.007 188 E CA 1.504 57.640 56.400 -0.439 0.000 0.816 188 E CB -0.100 29.379 29.700 -0.368 0.000 0.762 188 E HN 0.362 nan 8.360 nan 0.000 0.451 189 H N 0.910 119.725 119.070 -0.424 0.000 2.255 189 H HA -0.215 4.340 4.556 -0.001 0.000 0.290 189 H C 2.214 177.259 175.328 -0.471 0.000 1.087 189 H CA 2.340 58.164 56.048 -0.373 0.000 1.213 189 H CB -0.578 29.008 29.762 -0.294 0.000 1.349 189 H HN 0.256 nan 8.280 nan 0.000 0.487 190 I N 0.397 120.730 120.570 -0.396 0.000 2.163 190 I HA -0.311 3.858 4.170 -0.001 0.000 0.243 190 I C 2.982 178.802 176.117 -0.494 0.000 1.085 190 I CA 0.982 61.766 61.300 -0.860 0.000 1.347 190 I CB -0.378 36.935 38.000 -1.144 0.000 1.044 190 I HN 0.215 nan 8.210 nan 0.000 0.408 191 L N 0.340 121.335 121.223 -0.380 0.000 1.989 191 L HA -0.263 4.077 4.340 -0.001 0.000 0.211 191 L C 2.449 179.207 176.870 -0.187 0.000 1.071 191 L CA 1.493 56.182 54.840 -0.252 0.000 0.749 191 L CB -0.921 40.939 42.059 -0.332 0.000 0.890 191 L HN 0.358 nan 8.230 nan 0.000 0.431 192 N N 0.128 118.675 118.700 -0.254 0.000 2.021 192 N HA -0.269 4.471 4.740 -0.001 0.000 0.198 192 N C 1.801 177.165 175.510 -0.242 0.000 1.041 192 N CA 1.698 54.642 53.050 -0.176 0.000 0.862 192 N CB -0.298 38.057 38.487 -0.221 0.000 1.048 192 N HN 0.255 nan 8.380 nan 0.000 0.427 193 E N 1.143 121.217 120.200 -0.210 0.000 2.058 193 E HA -0.107 4.243 4.350 -0.001 0.000 0.194 193 E C 1.358 177.894 176.600 -0.106 0.000 0.997 193 E CA 1.072 57.403 56.400 -0.115 0.000 0.801 193 E CB -0.103 29.709 29.700 0.186 0.000 0.746 193 E HN 0.320 nan 8.360 nan 0.000 0.450 194 E N -0.045 120.181 120.200 0.044 0.000 2.515 194 E HA -0.115 4.234 4.350 -0.001 0.000 0.201 194 E C -0.425 176.295 176.600 0.199 0.000 1.071 194 E CA 0.495 57.002 56.400 0.179 0.000 0.880 194 E CB -0.182 29.633 29.700 0.192 0.000 0.828 194 E HN 0.426 nan 8.360 nan 0.000 0.540 195 H N -0.794 118.320 119.070 0.073 0.000 3.025 195 H HA -0.145 4.410 4.556 -0.001 0.000 0.350 195 H C -0.308 175.054 175.328 0.058 0.000 1.201 195 H CA 0.656 56.739 56.048 0.058 0.000 1.164 195 H CB -2.071 27.722 29.762 0.051 0.000 1.593 195 H HN 0.167 nan 8.280 nan 0.000 0.420 196 I N 0.263 120.908 120.570 0.125 0.000 2.534 196 I HA 0.444 4.613 4.170 -0.001 0.000 0.288 196 I C 0.692 176.903 176.117 0.157 0.000 1.077 196 I CA -0.774 60.595 61.300 0.114 0.000 1.051 196 I CB 2.026 40.073 38.000 0.078 0.000 1.234 196 I HN 0.441 nan 8.210 nan 0.000 0.425 197 A N 5.214 128.093 122.820 0.100 0.000 2.540 197 A HA 0.363 4.682 4.320 -0.001 0.000 0.239 197 A C -0.434 177.214 177.584 0.106 0.000 1.061 197 A CA 0.639 52.706 52.037 0.050 0.000 0.758 197 A CB -0.402 18.602 19.000 0.007 0.000 0.991 197 A HN 0.930 nan 8.150 nan 0.000 0.502 198 H N -0.683 118.372 119.070 -0.026 0.000 3.016 198 H HA 0.744 5.299 4.556 -0.001 0.000 0.362 198 H C -0.882 174.429 175.328 -0.029 0.000 1.233 198 H CA -0.935 55.094 56.048 -0.031 0.000 1.124 198 H CB 0.891 30.625 29.762 -0.047 0.000 1.850 198 H HN 0.566 nan 8.280 nan 0.000 0.549 199 E N 1.230 121.452 120.200 0.036 0.000 2.239 199 E HA 0.193 4.543 4.350 -0.001 0.000 0.261 199 E C -1.768 174.863 176.600 0.052 0.000 1.016 199 E CA -2.290 54.105 56.400 -0.009 0.000 0.882 199 E CB 1.137 30.835 29.700 -0.002 0.000 1.190 199 E HN 0.475 nan 8.360 nan 0.000 0.415 200 P HA -0.134 nan 4.420 nan 0.000 0.214 200 P C 1.099 178.419 177.300 0.032 0.000 1.162 200 P CA 1.181 64.303 63.100 0.037 0.000 0.879 200 P CB 0.198 31.906 31.700 0.013 0.000 0.786 201 R N -0.502 120.009 120.500 0.019 0.000 2.307 201 R HA 0.135 4.475 4.340 -0.001 0.000 0.199 201 R C 1.832 178.141 176.300 0.014 0.000 1.000 201 R CA 0.625 56.733 56.100 0.013 0.000 1.023 201 R CB -0.384 29.921 30.300 0.008 0.000 0.908 201 R HN 0.059 nan 8.270 nan 0.000 0.473 202 A N 1.035 123.868 122.820 0.021 0.000 1.855 202 A HA -0.103 4.216 4.320 -0.001 0.000 0.215 202 A C 2.041 179.632 177.584 0.011 0.000 1.191 202 A CA 0.896 52.944 52.037 0.019 0.000 0.613 202 A CB -0.409 18.609 19.000 0.031 0.000 0.829 202 A HN 0.300 nan 8.150 nan 0.000 0.442 203 L N -0.837 120.394 121.223 0.013 0.000 2.083 203 L HA -0.213 4.126 4.340 -0.001 0.000 0.209 203 L C 2.820 179.684 176.870 -0.011 0.000 1.083 203 L CA 1.639 56.471 54.840 -0.014 0.000 0.752 203 L CB -0.703 41.336 42.059 -0.034 0.000 0.899 203 L HN 0.527 nan 8.230 nan 0.000 0.433 204 Q N 0.489 120.290 119.800 0.001 0.000 2.181 204 Q HA -0.200 4.139 4.340 -0.001 0.000 0.205 204 Q C 2.367 178.367 176.000 -0.000 0.000 0.980 204 Q CA 1.357 57.161 55.803 0.002 0.000 0.862 204 Q CB 0.036 28.779 28.738 0.007 0.000 0.905 204 Q HN 0.562 nan 8.270 nan 0.000 0.429 205 L N 0.029 121.252 121.223 0.000 0.000 2.072 205 L HA -0.176 4.164 4.340 -0.001 0.000 0.205 205 L C 2.292 179.159 176.870 -0.004 0.000 1.079 205 L CA 0.721 55.561 54.840 -0.001 0.000 0.752 205 L CB -0.225 41.835 42.059 0.001 0.000 0.906 205 L HN 0.316 nan 8.230 nan 0.000 0.436 206 L N -0.640 120.578 121.223 -0.009 0.000 2.027 206 L HA -0.149 4.191 4.340 -0.001 0.000 0.206 206 L C 2.854 179.716 176.870 -0.015 0.000 1.074 206 L CA 1.140 55.972 54.840 -0.014 0.000 0.745 206 L CB -0.713 41.333 42.059 -0.022 0.000 0.898 206 L HN 0.194 nan 8.230 nan 0.000 0.433 207 A N 0.067 122.877 122.820 -0.016 0.000 1.908 207 A HA -0.280 4.039 4.320 -0.001 0.000 0.218 207 A C 2.333 179.913 177.584 -0.007 0.000 1.181 207 A CA 2.032 54.061 52.037 -0.013 0.000 0.627 207 A CB -0.512 18.482 19.000 -0.010 0.000 0.818 207 A HN 0.273 nan 8.150 nan 0.000 0.445 208 R N 0.046 120.544 120.500 -0.004 0.000 2.088 208 R HA -0.062 4.277 4.340 -0.001 0.000 0.232 208 R C 2.268 178.567 176.300 -0.002 0.000 1.136 208 R CA 2.147 58.246 56.100 -0.001 0.000 0.926 208 R CB -1.113 29.187 30.300 0.000 0.000 0.837 208 R HN 0.399 nan 8.270 nan 0.000 0.429 209 A N 0.261 123.079 122.820 -0.003 0.000 2.032 209 A HA -0.128 4.191 4.320 -0.001 0.000 0.221 209 A C 2.289 179.870 177.584 -0.004 0.000 1.165 209 A CA 1.910 53.945 52.037 -0.003 0.000 0.645 209 A CB -1.053 17.945 19.000 -0.004 0.000 0.807 209 A HN 0.532 nan 8.150 nan 0.000 0.453 210 A N -0.823 121.994 122.820 -0.006 0.000 2.076 210 A HA -0.054 4.266 4.320 -0.001 0.000 0.220 210 A C 0.882 178.465 177.584 -0.003 0.000 1.160 210 A CA 1.249 53.283 52.037 -0.006 0.000 0.653 210 A CB -0.535 18.459 19.000 -0.009 0.000 0.801 210 A HN 0.669 nan 8.150 nan 0.000 0.455 211 E N -2.713 117.487 120.200 -0.001 0.000 2.252 211 E HA -0.242 4.108 4.350 -0.001 0.000 0.218 211 E C 0.860 177.462 176.600 0.003 0.000 1.253 211 E CA 0.350 56.752 56.400 0.002 0.000 0.705 211 E CB -2.028 27.673 29.700 0.002 0.000 1.172 211 E HN 1.525 nan 8.360 nan 0.000 0.369 212 G N -0.331 108.470 108.800 0.002 0.000 2.199 212 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.254 212 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.254 212 G C 0.210 175.109 174.900 -0.001 0.000 0.982 212 G CA 0.378 45.480 45.100 0.003 0.000 0.632 212 G HN 0.656 nan 8.290 nan 0.000 0.529 213 S N 0.058 115.756 115.700 -0.003 0.000 2.433 213 S HA 0.587 5.056 4.470 -0.001 0.000 0.310 213 S C 1.184 175.778 174.600 -0.010 0.000 1.097 213 S CA -0.294 57.903 58.200 -0.006 0.000 1.103 213 S CB 1.114 64.312 63.200 -0.003 0.000 0.992 213 S HN 0.670 nan 8.310 nan 0.000 0.469 214 L N 5.831 127.045 121.223 -0.014 0.000 2.201 214 L HA 0.198 4.538 4.340 -0.001 0.000 0.212 214 L C 2.240 179.102 176.870 -0.014 0.000 1.105 214 L CA 1.623 56.452 54.840 -0.019 0.000 0.775 214 L CB -0.800 41.244 42.059 -0.024 0.000 0.913 214 L HN 0.789 nan 8.230 nan 0.000 0.440 215 R N -0.513 119.983 120.500 -0.008 0.000 2.057 215 R HA -0.133 4.207 4.340 -0.001 0.000 0.229 215 R C 1.856 178.156 176.300 -0.000 0.000 1.136 215 R CA 1.631 57.731 56.100 -0.000 0.000 0.952 215 R CB -0.221 30.081 30.300 0.003 0.000 0.848 215 R HN 0.272 nan 8.270 nan 0.000 0.430 216 D N 0.366 120.765 120.400 -0.002 0.000 2.191 216 D HA -0.258 4.382 4.640 -0.001 0.000 0.195 216 D C 1.635 177.932 176.300 -0.006 0.000 1.003 216 D CA 1.878 55.877 54.000 -0.002 0.000 0.867 216 D CB -0.201 40.598 40.800 -0.003 0.000 0.926 216 D HN 0.454 nan 8.370 nan 0.000 0.450 217 A N 0.236 123.049 122.820 -0.011 0.000 1.845 217 A HA -0.126 4.193 4.320 -0.001 0.000 0.215 217 A C 2.234 179.804 177.584 -0.022 0.000 1.195 217 A CA 1.182 53.207 52.037 -0.020 0.000 0.616 217 A CB -0.854 18.129 19.000 -0.027 0.000 0.832 217 A HN 0.246 nan 8.150 nan 0.000 0.443 218 L N -0.636 120.576 121.223 -0.019 0.000 2.201 218 L HA -0.093 4.247 4.340 -0.001 0.000 0.212 218 L C 2.691 179.562 176.870 0.003 0.000 1.105 218 L CA 1.156 55.988 54.840 -0.013 0.000 0.775 218 L CB -0.489 41.574 42.059 0.007 0.000 0.913 218 L HN 0.305 nan 8.230 nan 0.000 0.440 219 S N 0.120 115.823 115.700 0.005 0.000 2.387 219 S HA -0.041 4.428 4.470 -0.001 0.000 0.226 219 S C 2.002 176.605 174.600 0.004 0.000 1.026 219 S CA 0.934 59.140 58.200 0.009 0.000 0.972 219 S CB -0.100 63.105 63.200 0.008 0.000 0.814 219 S HN 0.278 nan 8.310 nan 0.000 0.477 220 L N 0.864 122.085 121.223 -0.002 0.000 2.056 220 L HA -0.123 4.217 4.340 -0.001 0.000 0.207 220 L C 2.596 179.463 176.870 -0.006 0.000 1.078 220 L CA 1.213 56.050 54.840 -0.004 0.000 0.749 220 L CB -0.856 41.198 42.059 -0.008 0.000 0.901 220 L HN 0.322 nan 8.230 nan 0.000 0.433 221 T N -1.240 113.307 114.554 -0.013 0.000 2.708 221 T HA -0.208 4.141 4.350 -0.001 0.000 0.266 221 T C 1.484 176.182 174.700 -0.003 0.000 1.037 221 T CA 1.388 63.478 62.100 -0.017 0.000 1.146 221 T CB -0.283 68.561 68.868 -0.040 0.000 0.865 221 T HN 0.304 nan 8.240 nan 0.000 0.435 222 D N 0.844 121.248 120.400 0.006 0.000 2.127 222 D HA -0.170 4.469 4.640 -0.001 0.000 0.190 222 D C 2.235 178.544 176.300 0.014 0.000 1.000 222 D CA 1.543 55.554 54.000 0.018 0.000 0.839 222 D CB -0.390 40.425 40.800 0.025 0.000 0.955 222 D HN 0.474 nan 8.370 nan 0.000 0.446 223 Q N 0.304 120.110 119.800 0.010 0.000 2.045 223 Q HA -0.211 4.128 4.340 -0.001 0.000 0.206 223 Q C 2.109 178.114 176.000 0.008 0.000 0.991 223 Q CA 2.208 58.016 55.803 0.008 0.000 0.851 223 Q CB -0.210 28.531 28.738 0.005 0.000 0.911 223 Q HN 0.240 nan 8.270 nan 0.000 0.418 224 A N 0.738 123.561 122.820 0.005 0.000 1.927 224 A HA -0.234 4.085 4.320 -0.001 0.000 0.220 224 A C 2.017 179.607 177.584 0.010 0.000 1.185 224 A CA 1.809 53.849 52.037 0.006 0.000 0.639 224 A CB -0.932 18.068 19.000 0.001 0.000 0.820 224 A HN 0.564 nan 8.150 nan 0.000 0.451 225 I N -0.472 120.105 120.570 0.013 0.000 2.264 225 I HA -0.314 3.855 4.170 -0.001 0.000 0.248 225 I C 2.914 179.042 176.117 0.019 0.000 1.111 225 I CA 1.165 62.476 61.300 0.019 0.000 1.382 225 I CB -0.397 37.617 38.000 0.024 0.000 1.060 225 I HN 0.388 nan 8.210 nan 0.000 0.418 226 A N 0.325 123.154 122.820 0.016 0.000 1.897 226 A HA -0.139 4.180 4.320 -0.001 0.000 0.215 226 A C 2.472 180.063 177.584 0.012 0.000 1.181 226 A CA 1.788 53.834 52.037 0.015 0.000 0.620 226 A CB -0.641 18.367 19.000 0.013 0.000 0.821 226 A HN 0.398 nan 8.150 nan 0.000 0.443 227 S N -0.136 115.570 115.700 0.010 0.000 2.400 227 S HA -0.063 4.407 4.470 -0.001 0.000 0.232 227 S C 1.714 176.320 174.600 0.010 0.000 1.025 227 S CA 1.079 59.285 58.200 0.009 0.000 0.993 227 S CB -0.407 62.797 63.200 0.007 0.000 0.808 227 S HN 0.744 nan 8.310 nan 0.000 0.478 228 G N 0.567 109.374 108.800 0.012 0.000 3.284 228 G HA2 0.131 4.090 3.960 -0.001 0.000 0.236 228 G HA3 0.131 4.090 3.960 -0.001 0.000 0.236 228 G C -0.051 174.858 174.900 0.015 0.000 1.158 228 G CA -0.217 44.892 45.100 0.014 0.000 0.774 228 G HN 0.323 nan 8.290 nan 0.000 0.545 229 D N 0.068 120.477 120.400 0.014 0.000 2.745 229 D HA -0.170 4.469 4.640 -0.001 0.000 0.225 229 D C 1.623 177.934 176.300 0.019 0.000 1.212 229 D CA 1.703 55.712 54.000 0.015 0.000 0.632 229 D CB -1.241 39.566 40.800 0.012 0.000 0.994 229 D HN 0.843 nan 8.370 nan 0.000 0.407 230 G N -0.175 108.639 108.800 0.023 0.000 2.232 230 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.226 230 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.226 230 G C 0.203 175.123 174.900 0.034 0.000 0.996 230 G CA 0.297 45.415 45.100 0.030 0.000 0.626 230 G HN 0.530 nan 8.290 nan 0.000 0.509 231 Q N 0.061 119.878 119.800 0.028 0.000 2.333 231 Q HA 0.580 4.919 4.340 -0.001 0.000 0.267 231 Q C -0.452 175.567 176.000 0.031 0.000 1.012 231 Q CA -0.725 55.096 55.803 0.030 0.000 0.824 231 Q CB 2.864 31.613 28.738 0.019 0.000 1.290 231 Q HN 0.111 nan 8.270 nan 0.000 0.449 232 V N 3.317 123.258 119.914 0.045 0.000 2.267 232 V HA 0.105 4.225 4.120 -0.001 0.000 0.254 232 V C -0.172 175.946 176.094 0.041 0.000 1.144 232 V CA -0.115 62.210 62.300 0.041 0.000 0.992 232 V CB -0.178 31.673 31.823 0.047 0.000 1.199 232 V HN 0.726 nan 8.190 nan 0.000 0.493 233 S N 2.095 117.810 115.700 0.024 0.000 2.565 233 S HA 0.327 4.796 4.470 -0.001 0.000 0.290 233 S C 1.212 175.819 174.600 0.013 0.000 1.150 233 S CA -0.523 57.686 58.200 0.016 0.000 1.058 233 S CB 1.624 64.829 63.200 0.008 0.000 1.032 233 S HN 0.502 nan 8.310 nan 0.000 0.510 234 T N 2.455 117.016 114.554 0.011 0.000 2.665 234 T HA -0.213 4.136 4.350 -0.001 0.000 0.268 234 T C 1.843 176.546 174.700 0.006 0.000 1.035 234 T CA 2.179 64.284 62.100 0.008 0.000 1.151 234 T CB -0.569 68.303 68.868 0.006 0.000 0.862 234 T HN 0.776 nan 8.240 nan 0.000 0.438 235 Q N 0.795 120.598 119.800 0.005 0.000 2.173 235 Q HA -0.151 4.189 4.340 -0.001 0.000 0.208 235 Q C 2.525 178.528 176.000 0.005 0.000 0.989 235 Q CA 1.785 57.591 55.803 0.005 0.000 0.872 235 Q CB -0.334 28.407 28.738 0.004 0.000 0.909 235 Q HN 0.589 nan 8.270 nan 0.000 0.420 236 A N 0.036 122.860 122.820 0.007 0.000 1.911 236 A HA -0.000 4.319 4.320 -0.001 0.000 0.212 236 A C 2.337 179.925 177.584 0.006 0.000 1.189 236 A CA 0.564 52.605 52.037 0.007 0.000 0.639 236 A CB -0.438 18.567 19.000 0.009 0.000 0.839 236 A HN 0.176 nan 8.150 nan 0.000 0.449 237 V N 1.328 121.246 119.914 0.007 0.000 2.287 237 V HA -0.270 3.850 4.120 -0.001 0.000 0.248 237 V C 3.075 179.171 176.094 0.004 0.000 1.053 237 V CA 2.563 64.866 62.300 0.005 0.000 1.027 237 V CB -0.878 30.948 31.823 0.006 0.000 0.646 237 V HN 0.810 nan 8.190 nan 0.000 0.447 238 S N 0.813 116.515 115.700 0.004 0.000 2.382 238 S HA -0.163 4.306 4.470 -0.001 0.000 0.228 238 S C 2.069 176.671 174.600 0.003 0.000 1.027 238 S CA 1.426 59.629 58.200 0.004 0.000 0.991 238 S CB -0.512 62.691 63.200 0.004 0.000 0.823 238 S HN 0.582 nan 8.310 nan 0.000 0.469 239 A N 2.274 125.096 122.820 0.004 0.000 1.873 239 A HA 0.066 4.385 4.320 -0.001 0.000 0.215 239 A C 2.356 179.942 177.584 0.003 0.000 1.186 239 A CA 1.660 53.699 52.037 0.004 0.000 0.616 239 A CB -0.862 18.141 19.000 0.004 0.000 0.823 239 A HN 0.623 nan 8.150 nan 0.000 0.442 240 M N -0.276 119.325 119.600 0.002 0.000 2.065 240 M HA -0.141 4.339 4.480 -0.001 0.000 0.259 240 M C 1.935 178.235 176.300 -0.000 0.000 1.069 240 M CA 1.878 57.179 55.300 0.001 0.000 1.110 240 M CB -0.369 32.232 32.600 0.002 0.000 1.328 240 M HN 0.402 nan 8.290 nan 0.000 0.405 241 L N -0.278 120.945 121.223 -0.000 0.000 2.191 241 L HA -0.119 4.220 4.340 -0.001 0.000 0.212 241 L C 2.543 179.412 176.870 -0.002 0.000 1.103 241 L CA 1.067 55.906 54.840 -0.002 0.000 0.769 241 L CB -1.264 40.794 42.059 -0.001 0.000 0.908 241 L HN 0.517 nan 8.230 nan 0.000 0.438 242 G N -0.910 107.889 108.800 -0.000 0.000 2.471 242 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.219 242 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.219 242 G C 1.541 176.439 174.900 -0.003 0.000 1.125 242 G CA 0.985 46.085 45.100 -0.000 0.000 0.775 242 G HN 0.290 nan 8.290 nan 0.000 0.548 243 T N 0.877 115.429 114.554 -0.003 0.000 2.995 243 T HA 0.064 4.414 4.350 -0.001 0.000 0.269 243 T C 1.426 176.120 174.700 -0.010 0.000 1.091 243 T CA 0.564 62.660 62.100 -0.006 0.000 1.128 243 T CB -0.059 68.807 68.868 -0.004 0.000 0.891 243 T HN 0.201 nan 8.240 nan 0.000 0.492 244 L N 1.011 122.228 121.223 -0.009 0.000 3.209 244 L HA 0.400 4.740 4.340 -0.001 0.000 0.279 244 L C -0.719 176.143 176.870 -0.012 0.000 1.301 244 L CA -0.532 54.301 54.840 -0.012 0.000 1.004 244 L CB 0.335 42.388 42.059 -0.009 0.000 1.402 244 L HN -0.127 nan 8.230 nan 0.000 0.577 245 D N 0.819 121.211 120.400 -0.013 0.000 2.348 245 D HA 0.048 4.688 4.640 -0.001 0.000 0.253 245 D C 0.774 177.064 176.300 -0.017 0.000 1.161 245 D CA 0.111 54.104 54.000 -0.012 0.000 0.876 245 D CB 1.618 42.414 40.800 -0.007 0.000 1.160 245 D HN 0.057 nan 8.370 nan 0.000 0.459 246 D N 1.761 122.153 120.400 -0.014 0.000 2.103 246 D HA -0.130 4.510 4.640 -0.001 0.000 0.199 246 D C 1.080 177.372 176.300 -0.013 0.000 0.978 246 D CA 0.644 54.634 54.000 -0.016 0.000 0.829 246 D CB 0.087 40.880 40.800 -0.011 0.000 0.981 246 D HN 0.404 nan 8.370 nan 0.000 0.464 247 D N 0.303 120.699 120.400 -0.007 0.000 1.968 247 D HA -0.329 4.310 4.640 -0.001 0.000 0.610 247 D C 1.724 178.025 176.300 0.001 0.000 0.770 247 D CA 2.487 56.486 54.000 -0.002 0.000 1.714 247 D CB -0.715 40.086 40.800 0.000 0.000 0.305 247 D HN 0.061 nan 8.370 nan 0.000 0.353 248 Q N -0.493 119.308 119.800 0.002 0.000 2.377 248 Q HA -0.367 3.972 4.340 -0.001 0.000 0.225 248 Q C 1.977 177.989 176.000 0.020 0.000 1.097 248 Q CA 3.364 59.175 55.803 0.013 0.000 0.985 248 Q CB -1.275 27.466 28.738 0.004 0.000 1.071 248 Q HN 0.550 nan 8.270 nan 0.000 0.505 249 A N -0.532 122.296 122.820 0.014 0.000 1.858 249 A HA -0.154 4.165 4.320 -0.001 0.000 0.216 249 A C 2.053 179.646 177.584 0.015 0.000 1.190 249 A CA 1.721 53.770 52.037 0.020 0.000 0.617 249 A CB -0.847 18.163 19.000 0.017 0.000 0.827 249 A HN 0.364 nan 8.150 nan 0.000 0.443 250 L N -0.471 120.757 121.223 0.009 0.000 1.994 250 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 250 L C 2.559 179.428 176.870 -0.001 0.000 1.071 250 L CA 2.557 57.399 54.840 0.004 0.000 0.745 250 L CB -0.733 41.328 42.059 0.004 0.000 0.892 250 L HN 0.299 nan 8.230 nan 0.000 0.431 251 S N -0.801 114.901 115.700 0.003 0.000 2.392 251 S HA -0.197 4.273 4.470 -0.001 0.000 0.232 251 S C 1.950 176.553 174.600 0.004 0.000 1.041 251 S CA 1.752 59.954 58.200 0.004 0.000 1.026 251 S CB -0.428 62.778 63.200 0.009 0.000 0.845 251 S HN 0.458 nan 8.310 nan 0.000 0.465 252 L N 0.310 121.539 121.223 0.010 0.000 2.072 252 L HA -0.050 4.289 4.340 -0.001 0.000 0.205 252 L C 2.345 179.205 176.870 -0.016 0.000 1.079 252 L CA 0.848 55.695 54.840 0.012 0.000 0.752 252 L CB -0.568 41.511 42.059 0.033 0.000 0.906 252 L HN 0.202 nan 8.230 nan 0.000 0.436 253 V N 0.255 120.151 119.914 -0.030 0.000 2.324 253 V HA -0.343 3.777 4.120 -0.001 0.000 0.250 253 V C 2.374 178.406 176.094 -0.104 0.000 1.060 253 V CA 1.971 64.223 62.300 -0.080 0.000 1.042 253 V CB -0.405 31.380 31.823 -0.063 0.000 0.650 253 V HN 0.489 nan 8.190 nan 0.000 0.450 254 E N -0.021 120.145 120.200 -0.058 0.000 2.028 254 E HA -0.170 4.180 4.350 -0.001 0.000 0.191 254 E C 2.245 178.820 176.600 -0.042 0.000 0.988 254 E CA 1.313 57.683 56.400 -0.050 0.000 0.799 254 E CB -0.383 29.303 29.700 -0.024 0.000 0.755 254 E HN 0.589 nan 8.360 nan 0.000 0.447 255 A N 0.901 123.708 122.820 -0.021 0.000 2.121 255 A HA -0.130 4.189 4.320 -0.001 0.000 0.218 255 A C 2.001 179.583 177.584 -0.003 0.000 1.154 255 A CA 0.898 52.932 52.037 -0.004 0.000 0.679 255 A CB -0.430 18.576 19.000 0.010 0.000 0.795 255 A HN 0.244 nan 8.150 nan 0.000 0.458 256 M N -0.496 119.083 119.600 -0.035 0.000 2.081 256 M HA -0.104 4.376 4.480 -0.001 0.000 0.261 256 M C 1.914 178.193 176.300 -0.035 0.000 1.075 256 M CA 1.972 57.252 55.300 -0.033 0.000 1.133 256 M CB -0.179 32.358 32.600 -0.105 0.000 1.330 256 M HN 0.212 nan 8.290 nan 0.000 0.414 257 V N 0.927 120.746 119.914 -0.160 0.000 2.261 257 V HA -0.287 3.833 4.120 -0.001 0.000 0.246 257 V C 1.940 178.068 176.094 0.055 0.000 1.047 257 V CA 2.293 64.547 62.300 -0.076 0.000 1.015 257 V CB -1.177 30.563 31.823 -0.139 0.000 0.642 257 V HN 0.534 nan 8.190 nan 0.000 0.446 258 E N 0.407 120.618 120.200 0.018 0.000 2.284 258 E HA -0.112 4.237 4.350 -0.001 0.000 0.200 258 E C 1.184 177.812 176.600 0.048 0.000 1.008 258 E CA 0.825 57.244 56.400 0.032 0.000 0.829 258 E CB -0.325 29.385 29.700 0.016 0.000 0.744 258 E HN 0.685 nan 8.360 nan 0.000 0.491 259 A N 1.274 124.131 122.820 0.062 0.000 2.876 259 A HA -0.230 4.090 4.320 -0.001 0.000 0.287 259 A C -0.140 177.474 177.584 0.051 0.000 1.455 259 A CA 0.711 52.791 52.037 0.072 0.000 0.744 259 A CB -2.435 16.609 19.000 0.073 0.000 1.041 259 A HN 0.350 nan 8.150 nan 0.000 0.500 260 N N 0.004 118.729 118.700 0.042 0.000 2.558 260 N HA 0.497 5.236 4.740 -0.001 0.000 0.233 260 N C 1.484 177.017 175.510 0.039 0.000 1.038 260 N CA 0.873 53.943 53.050 0.034 0.000 0.934 260 N CB 0.421 38.924 38.487 0.026 0.000 1.175 260 N HN 0.488 nan 8.380 nan 0.000 0.512 261 G N 2.137 110.962 108.800 0.041 0.000 2.433 261 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.216 261 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.216 261 G C 1.257 176.178 174.900 0.036 0.000 1.186 261 G CA 0.873 45.999 45.100 0.044 0.000 0.779 261 G HN 0.633 nan 8.290 nan 0.000 0.543 262 E N 0.486 120.704 120.200 0.030 0.000 2.038 262 E HA -0.188 4.161 4.350 -0.001 0.000 0.195 262 E C 2.436 179.052 176.600 0.027 0.000 1.000 262 E CA 1.586 58.002 56.400 0.026 0.000 0.803 262 E CB -0.346 29.367 29.700 0.022 0.000 0.750 262 E HN 0.396 nan 8.360 nan 0.000 0.448 263 R N -0.269 120.247 120.500 0.026 0.000 2.103 263 R HA -0.172 4.168 4.340 -0.001 0.000 0.242 263 R C 2.227 178.545 176.300 0.031 0.000 1.142 263 R CA 1.828 57.943 56.100 0.026 0.000 0.960 263 R CB -0.477 29.836 30.300 0.022 0.000 0.858 263 R HN 0.198 nan 8.270 nan 0.000 0.439 264 V N 0.522 120.456 119.914 0.033 0.000 2.237 264 V HA -0.296 3.824 4.120 -0.001 0.000 0.245 264 V C 2.385 178.502 176.094 0.040 0.000 1.046 264 V CA 1.853 64.175 62.300 0.038 0.000 1.007 264 V CB -0.395 31.453 31.823 0.040 0.000 0.638 264 V HN 0.387 nan 8.190 nan 0.000 0.445 265 M N -0.402 119.218 119.600 0.033 0.000 2.337 265 M HA -0.160 4.319 4.480 -0.001 0.000 0.261 265 M C 2.084 178.407 176.300 0.039 0.000 1.067 265 M CA 1.992 57.310 55.300 0.029 0.000 1.074 265 M CB -1.467 31.146 32.600 0.023 0.000 1.395 265 M HN 0.468 nan 8.290 nan 0.000 0.431 266 A N -0.449 122.395 122.820 0.040 0.000 1.887 266 A HA 0.042 4.361 4.320 -0.001 0.000 0.212 266 A C 2.221 179.837 177.584 0.053 0.000 1.198 266 A CA 0.415 52.477 52.037 0.042 0.000 0.628 266 A CB -0.494 18.526 19.000 0.032 0.000 0.847 266 A HN 0.400 nan 8.150 nan 0.000 0.449 267 L N -0.277 120.978 121.223 0.053 0.000 1.970 267 L HA -0.217 4.123 4.340 -0.001 0.000 0.212 267 L C 2.487 179.418 176.870 0.102 0.000 1.071 267 L CA 1.643 56.521 54.840 0.062 0.000 0.751 267 L CB -0.716 41.375 42.059 0.054 0.000 0.889 267 L HN 0.348 nan 8.230 nan 0.000 0.432 268 I N 0.238 120.882 120.570 0.122 0.000 2.229 268 I HA -0.401 3.768 4.170 -0.001 0.000 0.250 268 I C 2.462 178.730 176.117 0.251 0.000 1.096 268 I CA 1.512 62.936 61.300 0.207 0.000 1.358 268 I CB -0.356 37.706 38.000 0.105 0.000 1.047 268 I HN 0.443 nan 8.210 nan 0.000 0.422 269 N N 0.393 119.181 118.700 0.147 0.000 2.333 269 N HA -0.171 4.568 4.740 -0.001 0.000 0.178 269 N C 1.748 177.320 175.510 0.103 0.000 1.018 269 N CA 0.984 54.113 53.050 0.131 0.000 0.882 269 N CB 0.135 38.670 38.487 0.079 0.000 0.984 269 N HN 0.454 nan 8.380 nan 0.000 0.434 270 E N 0.523 120.770 120.200 0.078 0.000 2.028 270 E HA -0.107 4.243 4.350 -0.001 0.000 0.191 270 E C 1.850 178.467 176.600 0.028 0.000 0.988 270 E CA 1.189 57.616 56.400 0.045 0.000 0.799 270 E CB -0.138 29.583 29.700 0.034 0.000 0.755 270 E HN 0.313 nan 8.360 nan 0.000 0.447 271 A N 1.368 124.212 122.820 0.040 0.000 1.948 271 A HA -0.216 4.104 4.320 -0.001 0.000 0.220 271 A C 2.445 179.948 177.584 -0.136 0.000 1.177 271 A CA 2.141 54.150 52.037 -0.048 0.000 0.636 271 A CB -1.034 17.956 19.000 -0.015 0.000 0.815 271 A HN 0.467 nan 8.150 nan 0.000 0.449 272 A N -0.145 122.689 122.820 0.023 0.000 1.892 272 A HA 0.030 4.349 4.320 -0.001 0.000 0.218 272 A C 2.545 180.113 177.584 -0.027 0.000 1.188 272 A CA 2.605 54.671 52.037 0.047 0.000 0.631 272 A CB -1.146 17.999 19.000 0.241 0.000 0.822 272 A HN 1.199 nan 8.150 nan 0.000 0.447 273 A N -0.764 122.054 122.820 -0.003 0.000 1.902 273 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 273 A C 2.244 179.801 177.584 -0.046 0.000 1.181 273 A CA 1.719 53.748 52.037 -0.014 0.000 0.623 273 A CB -0.530 18.471 19.000 0.001 0.000 0.818 273 A HN 0.553 nan 8.150 nan 0.000 0.443 274 R N -0.768 119.692 120.500 -0.067 0.000 2.117 274 R HA -0.068 4.271 4.340 -0.001 0.000 0.243 274 R C 0.957 177.191 176.300 -0.110 0.000 1.143 274 R CA 1.206 57.257 56.100 -0.082 0.000 0.968 274 R CB -0.410 29.834 30.300 -0.093 0.000 0.863 274 R HN 0.962 nan 8.270 nan 0.000 0.444 275 G N 0.386 109.089 108.800 -0.162 0.000 2.683 275 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.234 275 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.234 275 G C -0.284 174.464 174.900 -0.253 0.000 1.135 275 G CA -0.267 44.727 45.100 -0.178 0.000 0.975 275 G HN 0.216 nan 8.290 nan 0.000 0.511 276 I N 0.037 120.346 120.570 -0.435 0.000 2.488 276 I HA 0.301 4.471 4.170 -0.001 0.000 0.299 276 I C 0.878 176.647 176.117 -0.580 0.000 0.984 276 I CA -0.686 60.324 61.300 -0.484 0.000 1.250 276 I CB 1.644 39.300 38.000 -0.574 0.000 1.389 276 I HN 0.375 nan 8.210 nan 0.000 0.488 277 E N 4.196 124.196 120.200 -0.334 0.000 2.217 277 E HA -0.010 4.340 4.350 -0.001 0.000 0.279 277 E C -0.160 176.334 176.600 -0.176 0.000 1.068 277 E CA -0.027 56.246 56.400 -0.213 0.000 0.882 277 E CB 0.598 30.240 29.700 -0.097 0.000 1.039 277 E HN 0.433 nan 8.360 nan 0.000 0.418 278 W N 3.240 124.530 121.300 -0.017 0.000 2.418 278 W HA -0.073 4.586 4.660 -0.001 0.000 0.292 278 W C 2.107 178.614 176.519 -0.021 0.000 1.213 278 W CA 0.665 57.999 57.345 -0.018 0.000 1.283 278 W CB 0.064 29.513 29.460 -0.019 0.000 1.119 278 W HN 0.692 nan 8.180 nan 0.000 0.542 279 E N 0.828 121.144 120.200 0.194 0.000 2.171 279 E HA -0.240 4.109 4.350 -0.001 0.000 0.197 279 E C 2.169 178.808 176.600 0.065 0.000 0.997 279 E CA 1.737 58.197 56.400 0.101 0.000 0.810 279 E CB -0.232 29.500 29.700 0.053 0.000 0.738 279 E HN 0.165 nan 8.360 nan 0.000 0.467 280 A N 0.217 123.062 122.820 0.042 0.000 2.066 280 A HA -0.055 4.264 4.320 -0.001 0.000 0.218 280 A C 2.002 179.597 177.584 0.019 0.000 1.157 280 A CA 0.770 52.814 52.037 0.011 0.000 0.670 280 A CB -0.371 18.616 19.000 -0.022 0.000 0.804 280 A HN 0.371 nan 8.150 nan 0.000 0.453 281 L N -0.130 121.122 121.223 0.049 0.000 2.044 281 L HA -0.038 4.302 4.340 -0.001 0.000 0.205 281 L C 2.294 179.205 176.870 0.069 0.000 1.075 281 L CA 1.504 56.383 54.840 0.065 0.000 0.747 281 L CB -0.523 41.621 42.059 0.142 0.000 0.903 281 L HN 0.391 nan 8.230 nan 0.000 0.435 282 L N -1.339 119.933 121.223 0.082 0.000 2.013 282 L HA -0.274 4.066 4.340 -0.001 0.000 0.212 282 L C 2.401 179.280 176.870 0.016 0.000 1.073 282 L CA 1.566 56.432 54.840 0.043 0.000 0.753 282 L CB -0.853 41.225 42.059 0.032 0.000 0.890 282 L HN 0.171 nan 8.230 nan 0.000 0.432 283 V N -0.621 119.303 119.914 0.017 0.000 2.407 283 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 283 V C 2.385 178.489 176.094 0.017 0.000 1.055 283 V CA 1.760 64.064 62.300 0.007 0.000 1.049 283 V CB -0.549 31.278 31.823 0.006 0.000 0.662 283 V HN 0.473 nan 8.190 nan 0.000 0.455 284 E N -0.216 119.996 120.200 0.020 0.000 2.072 284 E HA -0.169 4.181 4.350 -0.001 0.000 0.191 284 E C 2.315 178.935 176.600 0.035 0.000 0.985 284 E CA 1.196 57.610 56.400 0.023 0.000 0.801 284 E CB -0.059 29.650 29.700 0.015 0.000 0.750 284 E HN 0.537 nan 8.360 nan 0.000 0.452 285 M N 0.320 119.940 119.600 0.033 0.000 2.059 285 M HA -0.209 4.270 4.480 -0.001 0.000 0.259 285 M C 2.535 178.871 176.300 0.059 0.000 1.072 285 M CA 1.348 56.671 55.300 0.037 0.000 1.117 285 M CB -0.626 31.991 32.600 0.028 0.000 1.320 285 M HN 0.195 nan 8.290 nan 0.000 0.408 286 L N 0.087 121.329 121.223 0.031 0.000 2.021 286 L HA -0.222 4.117 4.340 -0.001 0.000 0.215 286 L C 2.702 179.700 176.870 0.214 0.000 1.074 286 L CA 1.685 56.548 54.840 0.038 0.000 0.760 286 L CB -1.233 40.766 42.059 -0.100 0.000 0.889 286 L HN 0.463 nan 8.230 nan 0.000 0.433 287 G N -0.493 108.387 108.800 0.134 0.000 2.446 287 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 287 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 287 G C 1.611 176.610 174.900 0.166 0.000 1.168 287 G CA 0.704 45.886 45.100 0.137 0.000 0.771 287 G HN 0.247 nan 8.290 nan 0.000 0.551 288 L N -0.087 121.207 121.223 0.119 0.000 2.013 288 L HA -0.099 4.240 4.340 -0.001 0.000 0.212 288 L C 2.989 179.931 176.870 0.120 0.000 1.073 288 L CA 0.943 55.840 54.840 0.096 0.000 0.753 288 L CB -0.354 41.739 42.059 0.057 0.000 0.890 288 L HN 0.234 nan 8.230 nan 0.000 0.432 289 L N -1.567 119.757 121.223 0.168 0.000 2.046 289 L HA -0.267 4.073 4.340 -0.001 0.000 0.208 289 L C 2.529 179.497 176.870 0.164 0.000 1.077 289 L CA 1.248 56.199 54.840 0.186 0.000 0.747 289 L CB -0.820 41.424 42.059 0.308 0.000 0.896 289 L HN 0.315 nan 8.230 nan 0.000 0.432 290 H N 0.212 119.372 119.070 0.149 0.000 2.251 290 H HA -0.249 4.307 4.556 -0.001 0.000 0.294 290 H C 2.432 177.765 175.328 0.007 0.000 1.078 290 H CA 2.185 58.248 56.048 0.024 0.000 1.246 290 H CB 0.088 29.894 29.762 0.073 0.000 1.358 290 H HN -0.038 nan 8.280 nan 0.000 0.488 291 R N 0.726 121.357 120.500 0.218 0.000 2.136 291 R HA -0.170 4.170 4.340 -0.001 0.000 0.242 291 R C 2.498 178.820 176.300 0.036 0.000 1.131 291 R CA 2.199 58.370 56.100 0.119 0.000 0.937 291 R CB -1.108 29.249 30.300 0.094 0.000 0.863 291 R HN 0.558 nan 8.270 nan 0.000 0.435 292 I N -0.046 120.544 120.570 0.032 0.000 2.118 292 I HA -0.336 3.833 4.170 -0.001 0.000 0.241 292 I C 2.311 178.414 176.117 -0.023 0.000 1.070 292 I CA 1.662 62.967 61.300 0.008 0.000 1.327 292 I CB -0.646 37.364 38.000 0.016 0.000 1.034 292 I HN 0.340 nan 8.210 nan 0.000 0.405 293 A N 0.546 123.333 122.820 -0.055 0.000 2.042 293 A HA -0.251 4.069 4.320 -0.001 0.000 0.222 293 A C 2.278 179.796 177.584 -0.110 0.000 1.167 293 A CA 2.124 54.100 52.037 -0.102 0.000 0.649 293 A CB -0.552 18.326 19.000 -0.203 0.000 0.809 293 A HN 0.501 nan 8.150 nan 0.000 0.457 294 M N -1.410 118.127 119.600 -0.104 0.000 2.516 294 M HA 0.035 4.514 4.480 -0.001 0.000 0.259 294 M C 1.713 177.992 176.300 -0.035 0.000 1.146 294 M CA 0.495 55.747 55.300 -0.080 0.000 1.122 294 M CB -0.040 32.514 32.600 -0.077 0.000 1.341 294 M HN 0.152 nan 8.290 nan 0.000 0.478 295 V N 1.091 120.992 119.914 -0.021 0.000 2.828 295 V HA -0.230 3.889 4.120 -0.001 0.000 0.260 295 V C 1.789 177.875 176.094 -0.014 0.000 1.101 295 V CA 1.509 63.803 62.300 -0.010 0.000 1.123 295 V CB -1.042 30.780 31.823 -0.002 0.000 0.704 295 V HN 0.569 nan 8.190 nan 0.000 0.493 296 Q N -0.884 118.902 119.800 -0.023 0.000 2.415 296 Q HA 0.140 4.479 4.340 -0.001 0.000 0.206 296 Q C 0.950 176.935 176.000 -0.025 0.000 0.946 296 Q CA 0.329 56.120 55.803 -0.021 0.000 0.951 296 Q CB 0.302 29.026 28.738 -0.023 0.000 1.026 296 Q HN 0.488 nan 8.270 nan 0.000 0.510 297 L N -1.261 119.946 121.223 -0.027 0.000 3.039 297 L HA 0.186 4.526 4.340 -0.001 0.000 0.269 297 L C -0.056 176.804 176.870 -0.017 0.000 1.169 297 L CA 0.020 54.845 54.840 -0.025 0.000 0.986 297 L CB 1.336 43.375 42.059 -0.034 0.000 1.377 297 L HN 0.002 nan 8.230 nan 0.000 0.575 298 S N -3.023 112.669 115.700 -0.013 0.000 2.580 298 S HA 0.428 4.897 4.470 -0.001 0.000 0.281 298 S C -2.667 171.929 174.600 -0.006 0.000 1.129 298 S CA -0.721 57.473 58.200 -0.009 0.000 0.862 298 S CB 1.222 64.418 63.200 -0.007 0.000 1.090 298 S HN -0.200 nan 8.310 nan 0.000 0.451 299 P HA 0.106 nan 4.420 nan 0.000 0.225 299 P C 1.360 178.659 177.300 -0.002 0.000 1.148 299 P CA 1.398 64.496 63.100 -0.003 0.000 0.779 299 P CB -0.141 31.558 31.700 -0.003 0.000 0.780 300 A N 0.055 122.873 122.820 -0.002 0.000 2.168 300 A HA 0.158 4.477 4.320 -0.001 0.000 0.215 300 A C 2.015 179.600 177.584 0.002 0.000 1.152 300 A CA 1.124 53.160 52.037 -0.002 0.000 0.716 300 A CB -1.093 17.905 19.000 -0.003 0.000 0.794 300 A HN 0.197 nan 8.150 nan 0.000 0.465 301 A N -0.734 122.088 122.820 0.003 0.000 2.276 301 A HA 0.461 4.781 4.320 -0.001 0.000 0.212 301 A C 0.537 178.129 177.584 0.014 0.000 1.230 301 A CA -0.000 52.043 52.037 0.010 0.000 0.844 301 A CB -0.279 18.728 19.000 0.011 0.000 0.860 301 A HN 0.381 nan 8.150 nan 0.000 0.486 302 L N 0.754 121.982 121.223 0.009 0.000 2.296 302 L HA 0.440 4.779 4.340 -0.001 0.000 0.286 302 L C 0.834 177.709 176.870 0.009 0.000 1.023 302 L CA -0.508 54.339 54.840 0.011 0.000 0.812 302 L CB 1.423 43.487 42.059 0.009 0.000 1.223 302 L HN 0.365 nan 8.230 nan 0.000 0.421 303 G N 2.018 110.824 108.800 0.011 0.000 2.491 303 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.238 303 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.238 303 G C 0.950 175.853 174.900 0.005 0.000 1.277 303 G CA -0.267 44.838 45.100 0.008 0.000 0.851 303 G HN 0.809 nan 8.290 nan 0.000 0.573 304 N N 0.824 119.525 118.700 0.002 0.000 2.096 304 N HA -0.197 4.543 4.740 -0.001 0.000 0.195 304 N C 1.614 177.129 175.510 0.008 0.000 1.017 304 N CA 1.638 54.690 53.050 0.003 0.000 0.870 304 N CB -0.291 38.195 38.487 -0.002 0.000 1.024 304 N HN 0.721 nan 8.380 nan 0.000 0.434 305 D N 0.502 120.907 120.400 0.007 0.000 2.454 305 D HA -0.240 4.399 4.640 -0.001 0.000 0.229 305 D C 2.030 178.336 176.300 0.010 0.000 1.176 305 D CA 1.895 55.900 54.000 0.009 0.000 1.003 305 D CB -0.343 40.462 40.800 0.008 0.000 1.467 305 D HN 0.118 nan 8.370 nan 0.000 0.537 306 M N 0.444 120.050 119.600 0.010 0.000 3.143 306 M HA -0.422 4.057 4.480 -0.001 0.000 0.270 306 M C 2.284 178.590 176.300 0.009 0.000 0.901 306 M CA 2.613 57.920 55.300 0.011 0.000 0.981 306 M CB -1.959 30.648 32.600 0.012 0.000 1.436 306 M HN 0.480 nan 8.290 nan 0.000 0.516 307 A N -0.170 122.655 122.820 0.009 0.000 1.232 307 A HA -0.397 3.923 4.320 -0.001 0.000 0.389 307 A C 2.283 179.872 177.584 0.007 0.000 5.322 307 A CA 4.824 56.866 52.037 0.008 0.000 1.027 307 A CB -2.026 16.980 19.000 0.010 0.000 0.732 307 A HN 0.965 nan 8.150 nan 0.000 0.547 308 A N -1.309 121.515 122.820 0.007 0.000 1.883 308 A HA -0.033 4.286 4.320 -0.001 0.000 0.217 308 A C 2.185 179.773 177.584 0.005 0.000 1.186 308 A CA 2.144 54.184 52.037 0.006 0.000 0.624 308 A CB -0.615 18.388 19.000 0.005 0.000 0.822 308 A HN 0.845 nan 8.150 nan 0.000 0.444 309 I N -0.722 119.852 120.570 0.006 0.000 2.406 309 I HA -0.170 4.000 4.170 -0.001 0.000 0.249 309 I C 2.354 178.475 176.117 0.006 0.000 1.122 309 I CA 1.209 62.513 61.300 0.006 0.000 1.431 309 I CB -0.300 37.705 38.000 0.008 0.000 1.087 309 I HN 0.582 nan 8.210 nan 0.000 0.424 310 E N 1.392 121.597 120.200 0.007 0.000 2.136 310 E HA -0.341 4.009 4.350 -0.001 0.000 0.208 310 E C 2.199 178.802 176.600 0.005 0.000 1.035 310 E CA 1.897 58.301 56.400 0.007 0.000 0.838 310 E CB -0.188 29.516 29.700 0.007 0.000 0.748 310 E HN 0.320 nan 8.360 nan 0.000 0.459 311 L N 1.267 122.493 121.223 0.005 0.000 1.971 311 L HA -0.228 4.111 4.340 -0.001 0.000 0.215 311 L C 2.543 179.415 176.870 0.003 0.000 1.072 311 L CA 2.261 57.104 54.840 0.004 0.000 0.758 311 L CB -0.618 41.443 42.059 0.004 0.000 0.889 311 L HN 0.103 nan 8.230 nan 0.000 0.433 312 R N -1.639 118.863 120.500 0.003 0.000 2.103 312 R HA -0.208 4.131 4.340 -0.001 0.000 0.242 312 R C 2.182 178.482 176.300 0.001 0.000 1.142 312 R CA 1.821 57.922 56.100 0.001 0.000 0.960 312 R CB -0.432 29.869 30.300 0.001 0.000 0.858 312 R HN 0.371 nan 8.270 nan 0.000 0.439 313 M N 0.135 119.737 119.600 0.003 0.000 2.086 313 M HA -0.152 4.327 4.480 -0.001 0.000 0.261 313 M C 2.177 178.479 176.300 0.004 0.000 1.067 313 M CA 1.722 57.025 55.300 0.005 0.000 1.116 313 M CB -0.701 31.905 32.600 0.009 0.000 1.348 313 M HN 0.146 nan 8.290 nan 0.000 0.407 314 R N -0.184 120.318 120.500 0.004 0.000 2.073 314 R HA -0.177 4.163 4.340 -0.001 0.000 0.234 314 R C 2.154 178.455 176.300 0.002 0.000 1.134 314 R CA 1.437 57.539 56.100 0.003 0.000 0.952 314 R CB -0.395 29.906 30.300 0.003 0.000 0.850 314 R HN 0.269 nan 8.270 nan 0.000 0.433 315 E N 1.135 121.336 120.200 0.002 0.000 2.097 315 E HA -0.198 4.152 4.350 -0.001 0.000 0.196 315 E C 1.754 178.355 176.600 0.002 0.000 1.000 315 E CA 1.086 57.487 56.400 0.002 0.000 0.804 315 E CB -0.225 29.476 29.700 0.001 0.000 0.740 315 E HN 0.099 nan 8.360 nan 0.000 0.454 316 L N -0.212 121.011 121.223 -0.001 0.000 2.083 316 L HA -0.044 4.295 4.340 -0.001 0.000 0.209 316 L C 2.154 179.025 176.870 0.001 0.000 1.083 316 L CA 1.847 56.685 54.840 -0.004 0.000 0.752 316 L CB -0.729 41.322 42.059 -0.012 0.000 0.899 316 L HN 0.235 nan 8.230 nan 0.000 0.433 317 A N -0.901 121.921 122.820 0.003 0.000 1.898 317 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 317 A C 2.424 180.012 177.584 0.007 0.000 1.181 317 A CA 1.440 53.480 52.037 0.005 0.000 0.620 317 A CB -0.473 18.528 19.000 0.001 0.000 0.819 317 A HN 0.374 nan 8.150 nan 0.000 0.442 318 R N -0.526 119.977 120.500 0.006 0.000 2.105 318 R HA -0.104 4.236 4.340 -0.001 0.000 0.239 318 R C 1.141 177.447 176.300 0.010 0.000 1.135 318 R CA 1.722 57.826 56.100 0.006 0.000 0.967 318 R CB -0.324 29.979 30.300 0.005 0.000 0.861 318 R HN 0.676 nan 8.270 nan 0.000 0.442 319 T N -2.336 112.226 114.554 0.012 0.000 3.293 319 T HA 0.438 4.788 4.350 -0.001 0.000 0.276 319 T C 0.209 174.926 174.700 0.028 0.000 1.003 319 T CA -0.344 61.766 62.100 0.017 0.000 0.916 319 T CB -0.073 68.803 68.868 0.013 0.000 1.134 319 T HN -0.089 nan 8.240 nan 0.000 0.530 320 I N 1.303 121.894 120.570 0.035 0.000 2.607 320 I HA 0.405 4.574 4.170 -0.001 0.000 0.290 320 I C -2.749 173.404 176.117 0.060 0.000 1.129 320 I CA -2.877 58.460 61.300 0.062 0.000 1.042 320 I CB 2.792 40.840 38.000 0.080 0.000 1.242 320 I HN -0.122 nan 8.210 nan 0.000 0.421 321 P HA 0.066 nan 4.420 nan 0.000 0.261 321 P C -2.145 175.186 177.300 0.052 0.000 1.183 321 P CA -0.861 62.266 63.100 0.045 0.000 0.761 321 P CB 0.074 31.796 31.700 0.037 0.000 0.785 322 P HA -0.203 nan 4.420 nan 0.000 0.218 322 P C 1.447 178.761 177.300 0.024 0.000 1.146 322 P CA 1.709 64.822 63.100 0.020 0.000 0.813 322 P CB -0.311 31.390 31.700 -0.000 0.000 0.778 323 T N -4.616 109.951 114.554 0.022 0.000 2.942 323 T HA -0.066 4.283 4.350 -0.001 0.000 0.265 323 T C 1.567 176.280 174.700 0.022 0.000 1.062 323 T CA 1.031 63.141 62.100 0.017 0.000 1.139 323 T CB -0.940 67.933 68.868 0.008 0.000 0.883 323 T HN -0.074 nan 8.240 nan 0.000 0.468 324 D N 1.092 121.513 120.400 0.035 0.000 2.117 324 D HA 0.043 4.683 4.640 -0.001 0.000 0.197 324 D C 2.018 178.396 176.300 0.130 0.000 0.987 324 D CA 0.823 54.839 54.000 0.027 0.000 0.829 324 D CB -0.244 40.621 40.800 0.108 0.000 0.961 324 D HN 0.393 nan 8.370 nan 0.000 0.460 325 I N 0.207 120.902 120.570 0.209 0.000 2.076 325 I HA -0.314 3.855 4.170 -0.001 0.000 0.237 325 I C 2.422 178.665 176.117 0.211 0.000 1.059 325 I CA 1.221 62.684 61.300 0.273 0.000 1.317 325 I CB -0.565 37.521 38.000 0.143 0.000 1.037 325 I HN 0.083 nan 8.210 nan 0.000 0.398 326 Q N 1.077 120.933 119.800 0.094 0.000 2.173 326 Q HA -0.268 4.072 4.340 -0.001 0.000 0.208 326 Q C 2.032 178.120 176.000 0.147 0.000 0.989 326 Q CA 1.895 57.744 55.803 0.077 0.000 0.872 326 Q CB -0.427 28.317 28.738 0.010 0.000 0.909 326 Q HN 0.412 nan 8.270 nan 0.000 0.420 327 L N -0.644 120.632 121.223 0.087 0.000 1.994 327 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 327 L C 1.790 178.700 176.870 0.067 0.000 1.071 327 L CA 1.939 56.797 54.840 0.030 0.000 0.745 327 L CB -1.004 41.003 42.059 -0.086 0.000 0.892 327 L HN 0.343 nan 8.230 nan 0.000 0.431 328 Y N -1.683 118.695 120.300 0.130 0.000 2.128 328 Y HA -0.326 4.223 4.550 -0.001 0.000 0.284 328 Y C 2.527 178.503 175.900 0.127 0.000 1.154 328 Y CA 2.248 60.418 58.100 0.117 0.000 1.149 328 Y CB -1.098 37.427 38.460 0.109 0.000 0.976 328 Y HN 0.261 nan 8.280 nan 0.000 0.505 329 Y N 0.853 121.283 120.300 0.216 0.000 2.014 329 Y HA -0.416 4.134 4.550 -0.001 0.000 0.272 329 Y C 2.684 178.645 175.900 0.101 0.000 1.164 329 Y CA 2.346 60.529 58.100 0.137 0.000 1.114 329 Y CB -0.832 37.694 38.460 0.111 0.000 0.961 329 Y HN 0.161 nan 8.280 nan 0.000 0.489 330 Q N -1.004 118.948 119.800 0.254 0.000 2.103 330 Q HA -0.305 4.034 4.340 -0.001 0.000 0.213 330 Q C 2.034 178.055 176.000 0.036 0.000 1.008 330 Q CA 3.184 59.062 55.803 0.125 0.000 0.879 330 Q CB -0.427 28.372 28.738 0.101 0.000 0.946 330 Q HN 0.566 nan 8.270 nan 0.000 0.413 331 T N 0.927 115.513 114.554 0.054 0.000 2.788 331 T HA -0.120 4.229 4.350 -0.001 0.000 0.268 331 T C 1.853 176.558 174.700 0.008 0.000 1.044 331 T CA 1.004 63.126 62.100 0.036 0.000 1.139 331 T CB -0.168 68.743 68.868 0.073 0.000 0.867 331 T HN 0.174 nan 8.240 nan 0.000 0.454 332 L N 0.159 121.374 121.223 -0.012 0.000 2.007 332 L HA 0.041 4.381 4.340 -0.001 0.000 0.205 332 L C 2.475 179.274 176.870 -0.118 0.000 1.073 332 L CA 0.634 55.437 54.840 -0.061 0.000 0.744 332 L CB -0.666 41.348 42.059 -0.075 0.000 0.898 332 L HN 0.178 nan 8.230 nan 0.000 0.435 333 L N 0.389 121.471 121.223 -0.234 0.000 2.064 333 L HA -0.295 4.044 4.340 -0.001 0.000 0.216 333 L C 2.282 179.108 176.870 -0.072 0.000 1.077 333 L CA 1.887 56.607 54.840 -0.200 0.000 0.766 333 L CB -0.510 41.405 42.059 -0.241 0.000 0.890 333 L HN 0.136 nan 8.230 nan 0.000 0.435 334 I N -0.742 119.801 120.570 -0.044 0.000 2.113 334 I HA -0.241 3.929 4.170 -0.001 0.000 0.238 334 I C 2.508 178.620 176.117 -0.010 0.000 1.070 334 I CA 1.508 62.799 61.300 -0.014 0.000 1.332 334 I CB -1.168 36.826 38.000 -0.010 0.000 1.044 334 I HN 0.433 nan 8.210 nan 0.000 0.402 335 G N 0.395 109.184 108.800 -0.018 0.000 2.485 335 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.221 335 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.221 335 G C 1.769 176.664 174.900 -0.009 0.000 1.115 335 G CA 0.776 45.867 45.100 -0.016 0.000 0.751 335 G HN 0.313 nan 8.290 nan 0.000 0.567 336 R N 0.542 121.032 120.500 -0.016 0.000 2.062 336 R HA 0.008 4.347 4.340 -0.001 0.000 0.231 336 R C 2.349 178.652 176.300 0.005 0.000 1.136 336 R CA 1.337 57.431 56.100 -0.010 0.000 0.948 336 R CB -0.303 29.983 30.300 -0.024 0.000 0.845 336 R HN 0.231 nan 8.270 nan 0.000 0.430 337 K N 0.152 120.563 120.400 0.017 0.000 2.442 337 K HA -0.159 4.161 4.320 -0.001 0.000 0.200 337 K C 1.504 178.168 176.600 0.105 0.000 1.045 337 K CA 1.471 57.788 56.287 0.051 0.000 0.937 337 K CB 0.067 32.598 32.500 0.052 0.000 0.757 337 K HN 0.432 nan 8.250 nan 0.000 0.474 338 E N -0.148 120.103 120.200 0.085 0.000 2.389 338 E HA -0.024 4.326 4.350 -0.001 0.000 0.199 338 E C 1.512 178.167 176.600 0.093 0.000 0.978 338 E CA -0.153 56.337 56.400 0.150 0.000 0.912 338 E CB 0.166 29.913 29.700 0.078 0.000 0.907 338 E HN 0.030 nan 8.360 nan 0.000 0.494 339 L N 2.247 123.475 121.223 0.008 0.000 2.085 339 L HA -0.197 4.142 4.340 -0.001 0.000 0.218 339 L C -0.915 175.896 176.870 -0.098 0.000 1.080 339 L CA 2.202 57.019 54.840 -0.038 0.000 0.776 339 L CB -0.939 41.103 42.059 -0.029 0.000 0.891 339 L HN 0.115 nan 8.230 nan 0.000 0.437 340 P HA -0.150 nan 4.420 nan 0.000 0.221 340 P C 1.075 178.163 177.300 -0.353 0.000 1.150 340 P CA 1.570 64.449 63.100 -0.368 0.000 0.800 340 P CB -0.124 31.166 31.700 -0.684 0.000 0.787 341 Y N -0.487 119.801 120.300 -0.019 0.000 2.509 341 Y HA 0.371 4.921 4.550 -0.001 0.000 0.270 341 Y C 1.658 177.538 175.900 -0.032 0.000 1.103 341 Y CA -0.392 57.695 58.100 -0.023 0.000 1.278 341 Y CB -0.580 37.867 38.460 -0.022 0.000 1.087 341 Y HN -0.168 nan 8.280 nan 0.000 0.542 342 A N 1.792 124.662 122.820 0.083 0.000 2.507 342 A HA 0.035 4.355 4.320 -0.001 0.000 0.235 342 A C -1.414 176.166 177.584 -0.007 0.000 1.070 342 A CA -0.928 51.117 52.037 0.014 0.000 0.768 342 A CB -0.267 18.715 19.000 -0.031 0.000 1.011 342 A HN 0.120 nan 8.150 nan 0.000 0.502 343 P HA -0.081 nan 4.420 nan 0.000 0.211 343 P C 0.256 177.534 177.300 -0.036 0.000 1.179 343 P CA 1.151 64.238 63.100 -0.023 0.000 0.910 343 P CB 0.044 31.724 31.700 -0.032 0.000 0.785 344 D N -2.198 118.163 120.400 -0.065 0.000 2.326 344 D HA 0.172 4.811 4.640 -0.001 0.000 0.251 344 D C 1.345 177.573 176.300 -0.120 0.000 1.023 344 D CA -0.545 53.406 54.000 -0.083 0.000 0.966 344 D CB 1.194 41.926 40.800 -0.112 0.000 1.156 344 D HN -0.216 nan 8.370 nan 0.000 0.494 345 R N 1.090 121.518 120.500 -0.120 0.000 2.080 345 R HA 0.004 4.344 4.340 -0.001 0.000 0.222 345 R C 2.062 178.100 176.300 -0.436 0.000 1.107 345 R CA 0.295 56.308 56.100 -0.146 0.000 0.980 345 R CB -0.083 30.238 30.300 0.034 0.000 0.879 345 R HN 0.455 nan 8.270 nan 0.000 0.439 346 R N 1.271 121.313 120.500 -0.763 0.000 2.097 346 R HA -0.140 4.200 4.340 -0.001 0.000 0.236 346 R C 2.298 178.192 176.300 -0.676 0.000 1.135 346 R CA 1.931 57.250 56.100 -1.302 0.000 0.934 346 R CB -0.272 29.477 30.300 -0.919 0.000 0.846 346 R HN 0.103 nan 8.270 nan 0.000 0.431 347 M N -0.241 119.126 119.600 -0.389 0.000 2.143 347 M HA -0.154 4.325 4.480 -0.001 0.000 0.258 347 M C 2.244 178.414 176.300 -0.216 0.000 1.071 347 M CA 1.927 57.079 55.300 -0.247 0.000 1.088 347 M CB -0.473 32.033 32.600 -0.157 0.000 1.360 347 M HN 0.533 nan 8.290 nan 0.000 0.404 348 G N -1.057 107.617 108.800 -0.209 0.000 2.484 348 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.218 348 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.218 348 G C 1.375 176.192 174.900 -0.139 0.000 1.130 348 G CA 0.521 45.536 45.100 -0.141 0.000 0.784 348 G HN 0.356 nan 8.290 nan 0.000 0.543 349 V N 0.089 119.879 119.914 -0.208 0.000 2.426 349 V HA -0.027 4.093 4.120 -0.001 0.000 0.242 349 V C 2.475 178.488 176.094 -0.135 0.000 1.036 349 V CA 1.383 63.597 62.300 -0.144 0.000 1.044 349 V CB -0.360 31.367 31.823 -0.160 0.000 0.688 349 V HN 0.352 nan 8.190 nan 0.000 0.462 350 E N -0.120 119.957 120.200 -0.204 0.000 2.048 350 E HA -0.293 4.057 4.350 -0.001 0.000 0.202 350 E C 2.276 178.813 176.600 -0.106 0.000 1.021 350 E CA 1.735 58.047 56.400 -0.146 0.000 0.825 350 E CB -0.232 29.363 29.700 -0.174 0.000 0.756 350 E HN 0.290 nan 8.360 nan 0.000 0.454 351 M N 0.386 119.913 119.600 -0.122 0.000 2.149 351 M HA -0.144 4.336 4.480 -0.001 0.000 0.261 351 M C 2.196 178.432 176.300 -0.107 0.000 1.064 351 M CA 1.557 56.783 55.300 -0.123 0.000 1.102 351 M CB -0.832 31.695 32.600 -0.122 0.000 1.369 351 M HN 0.106 nan 8.290 nan 0.000 0.408 352 T N 0.816 115.323 114.554 -0.078 0.000 2.812 352 T HA -0.035 4.314 4.350 -0.001 0.000 0.264 352 T C 1.920 176.613 174.700 -0.011 0.000 1.042 352 T CA 0.881 62.954 62.100 -0.045 0.000 1.140 352 T CB -0.108 68.742 68.868 -0.030 0.000 0.870 352 T HN 0.339 nan 8.240 nan 0.000 0.445 353 L N 0.376 121.595 121.223 -0.007 0.000 2.093 353 L HA 0.006 4.346 4.340 -0.001 0.000 0.208 353 L C 2.395 179.296 176.870 0.051 0.000 1.085 353 L CA 0.857 55.717 54.840 0.034 0.000 0.755 353 L CB -0.572 41.504 42.059 0.028 0.000 0.904 353 L HN 0.236 nan 8.230 nan 0.000 0.435 354 L N -0.598 120.629 121.223 0.007 0.000 1.994 354 L HA -0.238 4.102 4.340 -0.001 0.000 0.208 354 L C 2.830 179.734 176.870 0.056 0.000 1.071 354 L CA 1.197 56.054 54.840 0.028 0.000 0.745 354 L CB -0.369 41.633 42.059 -0.095 0.000 0.892 354 L HN 0.134 nan 8.230 nan 0.000 0.431 355 R N -0.203 120.250 120.500 -0.079 0.000 2.119 355 R HA -0.204 4.135 4.340 -0.001 0.000 0.246 355 R C 2.220 178.602 176.300 0.137 0.000 1.146 355 R CA 1.809 57.883 56.100 -0.044 0.000 0.962 355 R CB -0.604 29.651 30.300 -0.074 0.000 0.863 355 R HN 0.433 nan 8.270 nan 0.000 0.442 356 A N -0.600 122.300 122.820 0.135 0.000 2.016 356 A HA 0.015 4.335 4.320 -0.001 0.000 0.217 356 A C 2.041 179.781 177.584 0.260 0.000 1.162 356 A CA 0.756 52.915 52.037 0.204 0.000 0.662 356 A CB -0.206 18.940 19.000 0.242 0.000 0.812 356 A HN 0.251 nan 8.150 nan 0.000 0.450 357 L N -1.760 119.605 121.223 0.236 0.000 2.127 357 L HA 0.028 4.368 4.340 -0.001 0.000 0.203 357 L C 2.568 179.557 176.870 0.198 0.000 1.080 357 L CA 1.250 56.224 54.840 0.223 0.000 0.768 357 L CB -0.061 42.102 42.059 0.174 0.000 0.924 357 L HN 0.416 nan 8.230 nan 0.000 0.444 358 A N -2.237 120.739 122.820 0.261 0.000 2.242 358 A HA 0.296 4.616 4.320 -0.001 0.000 0.205 358 A C 0.392 178.001 177.584 0.042 0.000 1.353 358 A CA -0.221 51.905 52.037 0.149 0.000 1.005 358 A CB 0.257 19.357 19.000 0.165 0.000 1.127 358 A HN 0.102 nan 8.150 nan 0.000 0.498 359 F N -0.718 119.260 119.950 0.046 0.000 2.525 359 F HA 0.715 5.241 4.527 -0.001 0.000 0.346 359 F C 0.265 176.127 175.800 0.103 0.000 1.072 359 F CA -0.938 57.096 58.000 0.057 0.000 1.033 359 F CB 0.791 39.814 39.000 0.038 0.000 1.324 359 F HN 0.186 nan 8.300 nan 0.000 0.491 360 H N -0.080 119.083 119.070 0.155 0.000 2.865 360 H HA 0.516 5.071 4.556 -0.001 0.000 0.362 360 H C -2.844 172.527 175.328 0.072 0.000 1.114 360 H CA -2.435 53.647 56.048 0.056 0.000 1.208 360 H CB 1.631 31.395 29.762 0.002 0.000 1.727 360 H HN 0.207 nan 8.280 nan 0.000 0.534 361 P HA 0.292 nan 4.420 nan 0.000 0.287 361 P C -0.785 176.295 177.300 -0.368 0.000 1.294 361 P CA -0.638 62.321 63.100 -0.235 0.000 0.776 361 P CB 0.621 32.208 31.700 -0.188 0.000 0.889 362 R N 3.773 124.172 120.500 -0.169 0.000 2.457 362 R HA 0.773 5.112 4.340 -0.001 0.000 0.284 362 R C 0.147 176.399 176.300 -0.081 0.000 1.024 362 R CA -0.729 55.299 56.100 -0.119 0.000 1.025 362 R CB 0.966 31.250 30.300 -0.027 0.000 1.063 362 R HN 0.479 nan 8.270 nan 0.000 0.493 363 M N 0.000 119.562 119.600 -0.064 0.000 2.572 363 M HA 0.000 4.479 4.480 -0.001 0.000 0.227 363 M CA 0.000 55.274 55.300 -0.043 0.000 0.988 363 M CB 0.000 32.572 32.600 -0.047 0.000 1.302 363 M HN 0.000 nan 8.290 nan 0.000 0.411