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 1xxi_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 RALAFHPRMP LPEP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.146 176.094 0.087 0.000 1.182 5 V CA 0.000 62.330 62.300 0.050 0.000 1.235 5 V CB 0.000 31.846 31.823 0.039 0.000 1.184 6 L N 0.933 122.226 121.223 0.117 0.000 2.043 6 L HA -0.149 4.192 4.340 0.000 0.000 0.212 6 L C 2.979 179.985 176.870 0.225 0.000 1.075 6 L CA 2.710 57.679 54.840 0.214 0.000 0.752 6 L CB -0.808 41.330 42.059 0.131 0.000 0.891 6 L HN 1.054 nan 8.230 nan 0.000 0.432 7 A N 0.277 123.170 122.820 0.122 0.000 1.892 7 A HA -0.292 4.028 4.320 0.000 0.000 0.218 7 A C 2.370 180.003 177.584 0.082 0.000 1.188 7 A CA 2.297 54.392 52.037 0.097 0.000 0.631 7 A CB -0.530 18.501 19.000 0.052 0.000 0.822 7 A HN 0.345 nan 8.150 nan 0.000 0.447 8 R N 0.001 120.533 120.500 0.053 0.000 2.093 8 R HA -0.016 4.325 4.340 0.000 0.000 0.224 8 R C 2.123 178.411 176.300 -0.019 0.000 1.101 8 R CA 1.936 58.043 56.100 0.012 0.000 0.979 8 R CB -0.396 29.904 30.300 -0.001 0.000 0.877 8 R HN 0.540 nan 8.270 nan 0.000 0.441 9 K N -1.139 119.256 120.400 -0.010 0.000 2.097 9 K HA -0.125 4.196 4.320 0.000 0.000 0.205 9 K C 0.289 176.674 176.600 -0.359 0.000 1.050 9 K CA 1.333 57.525 56.287 -0.158 0.000 0.938 9 K CB -0.058 32.378 32.500 -0.107 0.000 0.718 9 K HN 0.234 nan 8.250 nan 0.000 0.442 10 W N 1.946 123.238 121.300 -0.013 0.000 3.151 10 W HA 0.280 4.940 4.660 0.001 0.000 0.424 10 W C -0.149 176.357 176.519 -0.023 0.000 1.012 10 W CA -0.767 56.572 57.345 -0.010 0.000 2.018 10 W CB 0.273 29.733 29.460 0.000 0.000 1.087 10 W HN -0.094 nan 8.180 nan 0.000 0.740 11 R N 1.784 122.310 120.500 0.043 0.000 2.489 11 R HA 0.111 4.451 4.340 0.000 0.000 0.287 11 R C -2.130 174.161 176.300 -0.014 0.000 1.053 11 R CA -1.417 54.689 56.100 0.009 0.000 1.036 11 R CB 0.309 30.589 30.300 -0.034 0.000 0.966 11 R HN -0.199 nan 8.270 nan 0.000 0.432 12 P HA -0.053 nan 4.420 nan 0.000 0.262 12 P C -0.653 176.609 177.300 -0.064 0.000 1.182 12 P CA 0.375 63.454 63.100 -0.035 0.000 0.761 12 P CB 0.798 32.448 31.700 -0.082 0.000 0.795 13 Q N 0.947 120.721 119.800 -0.043 0.000 2.317 13 Q HA 0.121 4.461 4.340 0.000 0.000 0.220 13 Q C 0.266 176.264 176.000 -0.003 0.000 0.873 13 Q CA 0.473 56.249 55.803 -0.045 0.000 0.936 13 Q CB 0.578 29.282 28.738 -0.057 0.000 1.105 13 Q HN 0.619 nan 8.270 nan 0.000 0.520 14 T N -4.879 109.691 114.554 0.028 0.000 2.868 14 T HA 0.344 4.695 4.350 0.000 0.000 0.306 14 T C 0.205 175.003 174.700 0.163 0.000 1.224 14 T CA -0.747 61.428 62.100 0.125 0.000 1.012 14 T CB -0.042 68.880 68.868 0.089 0.000 1.221 14 T HN 0.008 nan 8.240 nan 0.000 0.499 15 F N 0.745 120.656 119.950 -0.065 0.000 2.269 15 F HA 0.071 4.599 4.527 0.000 0.000 0.301 15 F C 2.906 178.674 175.800 -0.053 0.000 1.082 15 F CA 0.810 58.766 58.000 -0.073 0.000 1.360 15 F CB -0.247 38.707 39.000 -0.078 0.000 1.041 15 F HN 0.788 nan 8.300 nan 0.000 0.512 16 A N -0.446 122.469 122.820 0.158 0.000 2.067 16 A HA -0.158 4.162 4.320 0.000 0.000 0.219 16 A C 1.618 179.230 177.584 0.047 0.000 1.158 16 A CA 1.642 53.726 52.037 0.078 0.000 0.661 16 A CB -0.472 18.562 19.000 0.058 0.000 0.801 16 A HN 0.213 nan 8.150 nan 0.000 0.452 17 D N -0.522 119.906 120.400 0.047 0.000 2.347 17 D HA 0.087 4.728 4.640 0.000 0.000 0.213 17 D C 0.354 176.663 176.300 0.014 0.000 0.985 17 D CA 0.265 54.292 54.000 0.044 0.000 0.879 17 D CB 0.026 40.861 40.800 0.059 0.000 0.919 17 D HN 0.170 nan 8.370 nan 0.000 0.526 18 V N 1.691 121.591 119.914 -0.023 0.000 2.572 18 V HA 0.030 4.150 4.120 0.000 0.000 0.291 18 V C 0.627 176.697 176.094 -0.039 0.000 1.039 18 V CA -0.389 61.875 62.300 -0.060 0.000 1.055 18 V CB 1.719 33.462 31.823 -0.133 0.000 0.969 18 V HN -0.189 nan 8.190 nan 0.000 0.482 19 V N 4.412 124.304 119.914 -0.036 0.000 2.461 19 V HA 0.458 4.579 4.120 0.000 0.000 0.275 19 V C 1.244 177.325 176.094 -0.023 0.000 1.047 19 V CA 0.386 62.668 62.300 -0.030 0.000 0.955 19 V CB 0.703 32.513 31.823 -0.021 0.000 0.988 19 V HN 1.228 nan 8.190 nan 0.000 0.471 20 G N 4.558 113.348 108.800 -0.017 0.000 2.441 20 G HA2 -0.236 3.725 3.960 0.000 0.000 0.298 20 G HA3 -0.236 3.725 3.960 0.000 0.000 0.298 20 G C 0.354 175.281 174.900 0.046 0.000 0.949 20 G CA 0.247 45.353 45.100 0.010 0.000 1.072 20 G HN 0.696 nan 8.290 nan 0.000 0.512 21 Q N -0.931 118.883 119.800 0.023 0.000 2.318 21 Q HA 0.244 4.584 4.340 0.000 0.000 0.371 21 Q C 1.353 177.344 176.000 -0.014 0.000 0.896 21 Q CA -0.216 55.600 55.803 0.023 0.000 1.134 21 Q CB 0.561 29.257 28.738 -0.070 0.000 1.329 21 Q HN 0.612 nan 8.270 nan 0.000 0.413 22 E N 0.708 120.965 120.200 0.096 0.000 2.068 22 E HA -0.259 4.091 4.350 0.000 0.000 0.207 22 E C 1.750 178.414 176.600 0.105 0.000 1.032 22 E CA 2.201 58.658 56.400 0.095 0.000 0.839 22 E CB -0.286 29.480 29.700 0.111 0.000 0.758 22 E HN 0.566 nan 8.360 nan 0.000 0.457 23 H N -0.213 118.899 119.070 0.070 0.000 2.426 23 H HA -0.063 4.494 4.556 0.001 0.000 0.298 23 H C 1.955 177.366 175.328 0.138 0.000 1.107 23 H CA 1.598 57.708 56.048 0.103 0.000 1.298 23 H CB -0.793 29.039 29.762 0.116 0.000 1.377 23 H HN 0.125 nan 8.280 nan 0.000 0.519 24 V N 1.527 121.158 119.914 -0.472 0.000 2.446 24 V HA -0.134 3.986 4.120 0.000 0.000 0.244 24 V C 3.102 179.058 176.094 -0.231 0.000 1.039 24 V CA 1.029 63.114 62.300 -0.359 0.000 1.045 24 V CB -0.495 31.073 31.823 -0.425 0.000 0.681 24 V HN 0.230 nan 8.190 nan 0.000 0.459 25 L N -0.192 120.958 121.223 -0.122 0.000 2.141 25 L HA -0.144 4.196 4.340 0.000 0.000 0.209 25 L C 2.581 179.502 176.870 0.084 0.000 1.094 25 L CA 1.689 56.551 54.840 0.037 0.000 0.763 25 L CB -1.017 41.086 42.059 0.073 0.000 0.908 25 L HN 0.338 nan 8.230 nan 0.000 0.437 26 T N -0.073 114.514 114.554 0.055 0.000 2.821 26 T HA -0.096 4.255 4.350 0.000 0.000 0.267 26 T C 2.015 176.761 174.700 0.076 0.000 1.046 26 T CA 1.301 63.440 62.100 0.066 0.000 1.139 26 T CB -0.071 68.845 68.868 0.080 0.000 0.871 26 T HN 0.439 nan 8.240 nan 0.000 0.454 27 A N 0.983 123.861 122.820 0.097 0.000 1.897 27 A HA 0.132 4.452 4.320 0.000 0.000 0.215 27 A C 2.271 179.933 177.584 0.130 0.000 1.181 27 A CA 0.900 53.032 52.037 0.158 0.000 0.620 27 A CB -0.703 18.492 19.000 0.326 0.000 0.821 27 A HN 0.442 nan 8.150 nan 0.000 0.443 28 L N -0.746 120.493 121.223 0.027 0.000 2.056 28 L HA -0.185 4.155 4.340 0.000 0.000 0.207 28 L C 3.102 180.012 176.870 0.067 0.000 1.078 28 L CA 1.050 55.928 54.840 0.063 0.000 0.749 28 L CB -0.528 41.571 42.059 0.067 0.000 0.901 28 L HN 0.455 nan 8.230 nan 0.000 0.433 29 A N 0.331 123.159 122.820 0.014 0.000 1.873 29 A HA -0.265 4.055 4.320 0.000 0.000 0.215 29 A C 2.023 179.586 177.584 -0.035 0.000 1.186 29 A CA 2.151 54.120 52.037 -0.114 0.000 0.616 29 A CB -0.759 18.162 19.000 -0.131 0.000 0.823 29 A HN 0.483 nan 8.150 nan 0.000 0.442 30 N N -0.123 118.592 118.700 0.025 0.000 2.069 30 N HA -0.076 4.664 4.740 0.000 0.000 0.191 30 N C 1.780 177.334 175.510 0.074 0.000 1.031 30 N CA 2.207 55.286 53.050 0.048 0.000 0.852 30 N CB -0.617 37.913 38.487 0.072 0.000 1.018 30 N HN 0.299 nan 8.380 nan 0.000 0.423 31 G N 0.581 109.453 108.800 0.120 0.000 2.446 31 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 31 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 31 G C 1.605 176.585 174.900 0.133 0.000 1.168 31 G CA 0.827 46.029 45.100 0.170 0.000 0.771 31 G HN 0.324 nan 8.290 nan 0.000 0.551 32 L N 1.314 122.589 121.223 0.087 0.000 2.017 32 L HA -0.139 4.202 4.340 0.000 0.000 0.208 32 L C 3.388 180.272 176.870 0.024 0.000 1.073 32 L CA 1.712 56.579 54.840 0.045 0.000 0.745 32 L CB -0.467 41.568 42.059 -0.040 0.000 0.894 32 L HN 0.461 nan 8.230 nan 0.000 0.432 33 S N -0.222 115.474 115.700 -0.006 0.000 2.399 33 S HA -0.158 4.312 4.470 0.000 0.000 0.231 33 S C 1.680 176.293 174.600 0.022 0.000 1.022 33 S CA 0.991 59.186 58.200 -0.008 0.000 0.983 33 S CB -0.502 62.683 63.200 -0.024 0.000 0.803 33 S HN 0.417 nan 8.310 nan 0.000 0.480 34 L N 1.174 122.422 121.223 0.042 0.000 2.653 34 L HA 0.319 4.660 4.340 0.000 0.000 0.231 34 L C 1.560 178.468 176.870 0.063 0.000 1.153 34 L CA 0.204 55.074 54.840 0.050 0.000 0.933 34 L CB -0.698 41.394 42.059 0.054 0.000 1.175 34 L HN 0.608 nan 8.230 nan 0.000 0.473 35 G N 1.362 110.208 108.800 0.076 0.000 2.249 35 G HA2 -0.321 3.639 3.960 0.000 0.000 0.273 35 G HA3 -0.321 3.639 3.960 0.000 0.000 0.273 35 G C 0.427 175.389 174.900 0.103 0.000 1.036 35 G CA 0.082 45.240 45.100 0.097 0.000 0.824 35 G HN 0.376 nan 8.290 nan 0.000 0.504 36 R N 0.350 120.919 120.500 0.114 0.000 2.369 36 R HA 0.396 4.736 4.340 0.000 0.000 0.310 36 R C -0.181 176.220 176.300 0.168 0.000 1.141 36 R CA -0.600 55.562 56.100 0.103 0.000 1.116 36 R CB -0.039 30.334 30.300 0.121 0.000 1.135 36 R HN 0.185 nan 8.270 nan 0.000 0.529 37 I N 4.012 124.660 120.570 0.130 0.000 2.339 37 I HA 0.262 4.432 4.170 0.000 0.000 0.290 37 I C 0.318 176.498 176.117 0.105 0.000 0.994 37 I CA -1.114 60.317 61.300 0.219 0.000 1.191 37 I CB 0.897 38.990 38.000 0.156 0.000 1.343 37 I HN 0.422 nan 8.210 nan 0.000 0.458 38 H N 4.522 123.604 119.070 0.020 0.000 2.544 38 H HA 0.241 4.797 4.556 0.000 0.000 0.365 38 H C 1.387 176.672 175.328 -0.072 0.000 1.268 38 H CA -0.241 55.736 56.048 -0.117 0.000 1.400 38 H CB 0.679 30.191 29.762 -0.417 0.000 1.538 38 H HN 0.522 nan 8.280 nan 0.000 0.597 39 H N -0.628 118.455 119.070 0.022 0.000 2.512 39 H HA 0.370 4.926 4.556 0.000 0.000 0.279 39 H C -0.199 175.216 175.328 0.146 0.000 0.999 39 H CA 0.629 56.727 56.048 0.084 0.000 1.283 39 H CB 0.199 30.014 29.762 0.087 0.000 1.421 39 H HN 0.445 nan 8.280 nan 0.000 0.554 40 A N 0.298 122.814 122.820 -0.506 0.000 2.488 40 A HA 0.558 4.879 4.320 0.000 0.000 0.298 40 A C -1.981 175.393 177.584 -0.349 0.000 1.044 40 A CA -0.709 51.195 52.037 -0.222 0.000 0.693 40 A CB 1.309 20.152 19.000 -0.263 0.000 1.272 40 A HN 0.180 nan 8.150 nan 0.000 0.402 41 Y N 0.744 120.997 120.300 -0.078 0.000 2.446 41 Y HA 0.682 5.233 4.550 0.000 0.000 0.345 41 Y C -0.190 175.541 175.900 -0.283 0.000 0.984 41 Y CA -0.864 57.120 58.100 -0.194 0.000 1.058 41 Y CB 2.214 40.603 38.460 -0.117 0.000 1.220 41 Y HN 0.676 nan 8.280 nan 0.000 0.455 42 L N 4.096 125.123 121.223 -0.328 0.000 2.356 42 L HA 0.586 4.927 4.340 0.000 0.000 0.277 42 L C -1.877 174.710 176.870 -0.472 0.000 0.996 42 L CA -0.678 53.996 54.840 -0.277 0.000 0.822 42 L CB 0.940 42.878 42.059 -0.202 0.000 1.256 42 L HN 0.558 nan 8.230 nan 0.000 0.413 43 F N 2.932 122.943 119.950 0.101 0.000 2.427 43 F HA 0.438 4.965 4.527 0.000 0.000 0.348 43 F C 0.492 176.318 175.800 0.043 0.000 1.125 43 F CA -0.448 57.600 58.000 0.080 0.000 0.989 43 F CB 2.044 41.077 39.000 0.055 0.000 1.165 43 F HN 0.400 nan 8.300 nan 0.000 0.442 44 S N 1.869 117.656 115.700 0.146 0.000 2.689 44 S HA 1.030 5.501 4.470 0.000 0.000 0.306 44 S C -0.252 174.436 174.600 0.148 0.000 1.104 44 S CA -0.347 57.923 58.200 0.118 0.000 0.973 44 S CB 2.142 65.382 63.200 0.066 0.000 1.121 44 S HN 1.372 nan 8.310 nan 0.000 0.523 45 G N 0.374 109.247 108.800 0.122 0.000 2.347 45 G HA2 0.372 4.333 3.960 0.000 0.000 0.321 45 G HA3 0.372 4.333 3.960 0.000 0.000 0.321 45 G C -0.248 174.699 174.900 0.079 0.000 1.412 45 G CA -0.174 44.993 45.100 0.112 0.000 0.990 45 G HN 1.380 nan 8.290 nan 0.000 0.637 46 T N -0.703 113.890 114.554 0.065 0.000 3.449 46 T HA 0.525 4.875 4.350 0.000 0.000 0.387 46 T C 0.684 175.412 174.700 0.048 0.000 1.222 46 T CA -0.111 62.019 62.100 0.049 0.000 1.008 46 T CB 0.340 69.231 68.868 0.039 0.000 1.688 46 T HN 0.573 nan 8.240 nan 0.000 0.542 47 R N 0.831 121.355 120.500 0.039 0.000 2.390 47 R HA 0.427 4.767 4.340 0.000 0.000 0.291 47 R C 1.312 177.628 176.300 0.025 0.000 1.070 47 R CA 0.481 56.602 56.100 0.034 0.000 1.014 47 R CB 0.193 30.512 30.300 0.031 0.000 1.007 47 R HN 1.166 nan 8.270 nan 0.000 0.466 48 G N 1.656 110.469 108.800 0.020 0.000 2.356 48 G HA2 -0.272 3.688 3.960 0.000 0.000 0.296 48 G HA3 -0.272 3.688 3.960 0.000 0.000 0.296 48 G C 0.595 175.500 174.900 0.007 0.000 1.022 48 G CA 0.702 45.808 45.100 0.011 0.000 0.961 48 G HN 0.538 nan 8.290 nan 0.000 0.510 49 V N -3.957 115.962 119.914 0.009 0.000 3.644 49 V HA 0.667 4.787 4.120 0.000 0.000 0.267 49 V C 1.710 177.795 176.094 -0.016 0.000 1.277 49 V CA 1.082 63.388 62.300 0.009 0.000 1.096 49 V CB 0.287 32.130 31.823 0.033 0.000 0.828 49 V HN 2.124 nan 8.190 nan 0.000 0.446 50 G N 0.537 109.315 108.800 -0.038 0.000 2.151 50 G HA2 -0.182 3.779 3.960 0.000 0.000 0.140 50 G HA3 -0.182 3.779 3.960 0.000 0.000 0.140 50 G C 0.589 175.396 174.900 -0.154 0.000 1.020 50 G CA 0.229 45.273 45.100 -0.094 0.000 0.688 50 G HN 0.427 nan 8.290 nan 0.000 0.500 51 K N -0.112 120.227 120.400 -0.101 0.000 2.002 51 K HA -0.064 4.256 4.320 0.000 0.000 0.209 51 K C 2.501 178.948 176.600 -0.254 0.000 1.048 51 K CA 1.924 58.130 56.287 -0.135 0.000 0.930 51 K CB -0.326 32.188 32.500 0.024 0.000 0.714 51 K HN 0.284 nan 8.250 nan 0.000 0.438 52 T N 0.967 115.433 114.554 -0.148 0.000 2.821 52 T HA -0.086 4.264 4.350 0.000 0.000 0.267 52 T C 2.139 176.710 174.700 -0.215 0.000 1.046 52 T CA 1.319 63.331 62.100 -0.146 0.000 1.139 52 T CB -0.146 68.681 68.868 -0.069 0.000 0.871 52 T HN 0.139 nan 8.240 nan 0.000 0.454 53 S N 1.225 116.798 115.700 -0.211 0.000 2.353 53 S HA -0.032 4.438 4.470 0.000 0.000 0.222 53 S C 2.040 176.421 174.600 -0.366 0.000 1.035 53 S CA 1.051 59.112 58.200 -0.232 0.000 1.025 53 S CB -0.423 62.663 63.200 -0.190 0.000 0.902 53 S HN 0.417 nan 8.310 nan 0.000 0.440 54 I N 1.478 121.750 120.570 -0.497 0.000 2.252 54 I HA -0.194 3.977 4.170 0.000 0.000 0.245 54 I C 2.705 178.347 176.117 -0.793 0.000 1.102 54 I CA 1.020 61.885 61.300 -0.725 0.000 1.385 54 I CB -0.563 36.964 38.000 -0.788 0.000 1.064 54 I HN 0.268 nan 8.210 nan 0.000 0.414 55 A N 0.680 123.001 122.820 -0.831 0.000 1.908 55 A HA -0.238 4.083 4.320 0.000 0.000 0.218 55 A C 2.445 179.851 177.584 -0.296 0.000 1.181 55 A CA 1.539 53.234 52.037 -0.570 0.000 0.627 55 A CB -0.624 18.190 19.000 -0.311 0.000 0.818 55 A HN 0.290 nan 8.150 nan 0.000 0.445 56 R N -0.721 119.623 120.500 -0.259 0.000 2.096 56 R HA -0.051 4.289 4.340 0.000 0.000 0.235 56 R C 2.049 178.250 176.300 -0.165 0.000 1.127 56 R CA 1.421 57.420 56.100 -0.168 0.000 0.968 56 R CB -0.399 29.814 30.300 -0.144 0.000 0.861 56 R HN 0.579 nan 8.270 nan 0.000 0.440 57 L N 0.326 121.401 121.223 -0.246 0.000 2.093 57 L HA -0.194 4.146 4.340 0.000 0.000 0.208 57 L C 2.406 179.266 176.870 -0.017 0.000 1.085 57 L CA 0.521 55.259 54.840 -0.170 0.000 0.755 57 L CB -0.443 41.345 42.059 -0.452 0.000 0.904 57 L HN 0.214 nan 8.230 nan 0.000 0.435 58 L N 0.498 121.644 121.223 -0.127 0.000 2.017 58 L HA -0.161 4.179 4.340 0.000 0.000 0.208 58 L C 2.649 179.496 176.870 -0.039 0.000 1.073 58 L CA 2.101 56.924 54.840 -0.028 0.000 0.745 58 L CB -0.818 41.132 42.059 -0.182 0.000 0.894 58 L HN 0.146 nan 8.230 nan 0.000 0.432 59 A N -0.809 121.973 122.820 -0.063 0.000 1.940 59 A HA -0.270 4.050 4.320 0.000 0.000 0.219 59 A C 2.467 180.049 177.584 -0.002 0.000 1.176 59 A CA 2.037 54.063 52.037 -0.018 0.000 0.631 59 A CB -0.610 18.385 19.000 -0.007 0.000 0.814 59 A HN 0.515 nan 8.150 nan 0.000 0.446 60 K N -0.952 119.431 120.400 -0.029 0.000 2.057 60 K HA -0.096 4.224 4.320 0.000 0.000 0.206 60 K C 2.055 178.652 176.600 -0.005 0.000 1.050 60 K CA 1.185 57.443 56.287 -0.050 0.000 0.935 60 K CB -0.449 32.023 32.500 -0.046 0.000 0.715 60 K HN 0.433 nan 8.250 nan 0.000 0.439 61 G N 0.788 109.617 108.800 0.048 0.000 2.422 61 G HA2 -0.193 3.767 3.960 0.000 0.000 0.218 61 G HA3 -0.193 3.767 3.960 0.000 0.000 0.218 61 G C 1.394 176.327 174.900 0.055 0.000 1.140 61 G CA 0.459 45.581 45.100 0.037 0.000 0.775 61 G HN 0.173 nan 8.290 nan 0.000 0.545 62 L N -0.020 121.252 121.223 0.081 0.000 2.179 62 L HA 0.103 4.443 4.340 0.000 0.000 0.208 62 L C 1.942 178.991 176.870 0.298 0.000 1.096 62 L CA 0.606 55.559 54.840 0.187 0.000 0.779 62 L CB -0.040 42.079 42.059 0.100 0.000 0.922 62 L HN 0.115 nan 8.230 nan 0.000 0.443 63 N N -1.287 117.516 118.700 0.172 0.000 2.184 63 N HA 0.045 4.785 4.740 0.000 0.000 0.206 63 N C 0.011 175.533 175.510 0.019 0.000 1.151 63 N CA -0.061 53.074 53.050 0.142 0.000 0.878 63 N CB 0.381 38.973 38.487 0.174 0.000 1.014 63 N HN 0.166 nan 8.380 nan 0.000 0.512 64 C N 1.900 121.197 119.300 -0.004 0.000 2.596 64 C HA 0.019 4.480 4.460 0.000 0.000 0.414 64 C C 1.921 176.901 174.990 -0.017 0.000 1.396 64 C CA 0.019 59.014 59.018 -0.038 0.000 1.698 64 C CB -0.324 27.398 27.740 -0.030 0.000 2.572 64 C HN 0.465 nan 8.230 nan 0.000 0.604 65 E N 1.857 122.039 120.200 -0.029 0.000 2.209 65 E HA -0.171 4.180 4.350 0.000 0.000 0.196 65 E C 2.020 178.613 176.600 -0.013 0.000 0.993 65 E CA 1.656 58.047 56.400 -0.015 0.000 0.819 65 E CB -0.028 29.661 29.700 -0.018 0.000 0.745 65 E HN 0.879 nan 8.360 nan 0.000 0.477 66 T N -0.393 114.151 114.554 -0.017 0.000 2.881 66 T HA 0.044 4.394 4.350 0.000 0.000 0.270 66 T C 0.475 175.171 174.700 -0.007 0.000 1.068 66 T CA 0.998 63.089 62.100 -0.014 0.000 1.131 66 T CB -0.011 68.845 68.868 -0.020 0.000 0.871 66 T HN 0.453 nan 8.240 nan 0.000 0.479 67 G N -0.199 108.601 108.800 0.001 0.000 2.340 67 G HA2 0.061 4.021 3.960 0.000 0.000 0.527 67 G HA3 0.061 4.021 3.960 0.000 0.000 0.527 67 G C -1.061 173.857 174.900 0.031 0.000 1.381 67 G CA -1.048 44.060 45.100 0.014 0.000 1.001 67 G HN 0.264 nan 8.290 nan 0.000 0.626 68 I N 1.656 122.262 120.570 0.061 0.000 2.578 68 I HA 0.368 4.539 4.170 0.000 0.000 0.286 68 I C 0.928 177.067 176.117 0.037 0.000 1.126 68 I CA 0.821 62.177 61.300 0.093 0.000 1.380 68 I CB 0.651 38.743 38.000 0.154 0.000 1.408 68 I HN 0.609 nan 8.210 nan 0.000 0.532 69 T N 3.942 118.497 114.554 0.003 0.000 2.883 69 T HA 0.576 4.926 4.350 0.000 0.000 0.301 69 T C 0.451 175.067 174.700 -0.140 0.000 1.158 69 T CA -0.249 61.818 62.100 -0.055 0.000 1.007 69 T CB 1.783 70.618 68.868 -0.056 0.000 1.186 69 T HN 0.534 nan 8.240 nan 0.000 0.499 70 A N 1.676 124.358 122.820 -0.230 0.000 2.251 70 A HA 0.318 4.638 4.320 0.000 0.000 0.209 70 A C 1.026 178.280 177.584 -0.550 0.000 1.187 70 A CA 0.821 52.554 52.037 -0.506 0.000 0.823 70 A CB -0.421 18.302 19.000 -0.461 0.000 0.846 70 A HN 0.983 nan 8.150 nan 0.000 0.486 71 T N -1.347 113.049 114.554 -0.264 0.000 3.410 71 T HA 0.484 4.835 4.350 0.000 0.000 0.328 71 T C -3.066 171.587 174.700 -0.078 0.000 1.567 71 T CA -1.863 60.142 62.100 -0.158 0.000 1.626 71 T CB 0.587 69.389 68.868 -0.110 0.000 0.939 71 T HN -0.049 nan 8.240 nan 0.000 0.656 72 P HA 0.043 nan 4.420 nan 0.000 0.263 72 P C 1.616 178.897 177.300 -0.031 0.000 1.175 72 P CA -0.397 62.685 63.100 -0.029 0.000 0.761 72 P CB 0.354 32.050 31.700 -0.006 0.000 0.794 73 C N 1.733 121.010 119.300 -0.037 0.000 2.425 73 C HA 0.088 4.548 4.460 0.000 0.000 0.277 73 C C 1.968 176.936 174.990 -0.037 0.000 1.280 73 C CA 0.919 59.916 59.018 -0.035 0.000 1.744 73 C CB -1.791 25.928 27.740 -0.035 0.000 1.989 73 C HN 0.776 nan 8.230 nan 0.000 0.491 74 G N 0.047 108.818 108.800 -0.048 0.000 2.179 74 G HA2 -0.257 3.703 3.960 0.000 0.000 0.260 74 G HA3 -0.257 3.703 3.960 0.000 0.000 0.260 74 G C 0.779 175.644 174.900 -0.058 0.000 0.977 74 G CA 0.956 46.023 45.100 -0.055 0.000 0.641 74 G HN 1.712 nan 8.290 nan 0.000 0.533 75 V N -2.042 117.840 119.914 -0.052 0.000 3.548 75 V HA 0.390 4.511 4.120 0.000 0.000 0.279 75 V C 1.743 177.808 176.094 -0.049 0.000 1.446 75 V CA 0.466 62.737 62.300 -0.048 0.000 1.023 75 V CB -0.856 30.945 31.823 -0.037 0.000 0.820 75 V HN 1.345 nan 8.190 nan 0.000 0.438 76 C N 0.435 119.701 119.300 -0.056 0.000 2.580 76 C HA 0.434 4.894 4.460 0.000 0.000 0.371 76 C C 1.733 176.683 174.990 -0.068 0.000 1.308 76 C CA 0.287 59.273 59.018 -0.054 0.000 2.428 76 C CB 0.808 28.515 27.740 -0.054 0.000 2.529 76 C HN 0.519 nan 8.230 nan 0.000 0.657 77 D N 1.222 121.593 120.400 -0.049 0.000 2.123 77 D HA -0.123 4.517 4.640 0.000 0.000 0.196 77 D C 1.748 177.989 176.300 -0.098 0.000 0.992 77 D CA 1.719 55.694 54.000 -0.041 0.000 0.833 77 D CB -0.366 40.436 40.800 0.004 0.000 0.954 77 D HN 0.667 nan 8.370 nan 0.000 0.455 78 N N 0.310 118.916 118.700 -0.157 0.000 2.069 78 N HA -0.121 4.620 4.740 0.000 0.000 0.191 78 N C 1.993 177.177 175.510 -0.543 0.000 1.031 78 N CA 0.702 53.467 53.050 -0.475 0.000 0.852 78 N CB -0.831 37.421 38.487 -0.391 0.000 1.018 78 N HN 0.205 nan 8.380 nan 0.000 0.423 79 C N 0.861 119.982 119.300 -0.299 0.000 2.429 79 C HA -0.019 4.442 4.460 0.000 0.000 0.277 79 C C 2.626 177.505 174.990 -0.184 0.000 1.262 79 C CA 0.417 59.298 59.018 -0.227 0.000 1.733 79 C CB -0.852 26.806 27.740 -0.137 0.000 2.010 79 C HN 0.471 nan 8.230 nan 0.000 0.483 80 R N 0.555 120.972 120.500 -0.139 0.000 2.073 80 R HA -0.133 4.207 4.340 0.000 0.000 0.234 80 R C 2.093 178.341 176.300 -0.086 0.000 1.134 80 R CA 1.441 57.484 56.100 -0.095 0.000 0.952 80 R CB -0.372 29.889 30.300 -0.065 0.000 0.850 80 R HN 0.648 nan 8.270 nan 0.000 0.433 81 E N 0.593 120.739 120.200 -0.090 0.000 2.077 81 E HA -0.158 4.192 4.350 0.000 0.000 0.193 81 E C 2.019 178.611 176.600 -0.014 0.000 0.989 81 E CA 0.979 57.374 56.400 -0.009 0.000 0.800 81 E CB -0.058 29.719 29.700 0.128 0.000 0.746 81 E HN 0.310 nan 8.360 nan 0.000 0.452 82 I N 0.918 121.391 120.570 -0.162 0.000 2.226 82 I HA -0.255 3.915 4.170 0.000 0.000 0.245 82 I C 2.460 178.539 176.117 -0.063 0.000 1.100 82 I CA 0.929 62.164 61.300 -0.108 0.000 1.374 82 I CB -0.106 37.749 38.000 -0.243 0.000 1.057 82 I HN 0.074 nan 8.210 nan 0.000 0.413 83 E N 1.097 121.244 120.200 -0.087 0.000 2.058 83 E HA -0.262 4.089 4.350 0.000 0.000 0.194 83 E C 2.112 178.683 176.600 -0.048 0.000 0.997 83 E CA 1.641 57.998 56.400 -0.072 0.000 0.801 83 E CB -0.167 29.484 29.700 -0.081 0.000 0.746 83 E HN 0.487 nan 8.360 nan 0.000 0.450 84 Q N -1.538 118.241 119.800 -0.035 0.000 2.436 84 Q HA 0.092 4.433 4.340 0.000 0.000 0.209 84 Q C 1.051 177.049 176.000 -0.004 0.000 0.965 84 Q CA 0.624 56.416 55.803 -0.019 0.000 0.910 84 Q CB 0.271 29.003 28.738 -0.010 0.000 0.980 84 Q HN 0.430 nan 8.270 nan 0.000 0.491 85 G N 1.463 110.267 108.800 0.008 0.000 2.143 85 G HA2 -0.281 3.680 3.960 0.000 0.000 0.248 85 G HA3 -0.281 3.680 3.960 0.000 0.000 0.248 85 G C 0.469 175.391 174.900 0.037 0.000 0.991 85 G CA 0.284 45.396 45.100 0.020 0.000 0.689 85 G HN 0.155 nan 8.290 nan 0.000 0.522 86 R N -0.684 119.851 120.500 0.059 0.000 2.767 86 R HA 0.469 4.810 4.340 0.000 0.000 0.377 86 R C -0.356 176.022 176.300 0.130 0.000 1.151 86 R CA -0.924 55.213 56.100 0.062 0.000 1.046 86 R CB -0.398 29.925 30.300 0.038 0.000 1.404 86 R HN 0.240 nan 8.270 nan 0.000 0.580 87 F N -0.027 119.897 119.950 -0.043 0.000 2.405 87 F HA 0.182 4.709 4.527 0.000 0.000 0.355 87 F C 1.306 177.072 175.800 -0.056 0.000 1.121 87 F CA -0.999 56.974 58.000 -0.044 0.000 1.112 87 F CB 1.217 40.191 39.000 -0.043 0.000 1.126 87 F HN -0.109 nan 8.300 nan 0.000 0.481 88 V N 4.808 124.430 119.914 -0.487 0.000 2.568 88 V HA -0.204 3.917 4.120 0.000 0.000 0.253 88 V C 0.999 176.746 176.094 -0.579 0.000 1.072 88 V CA 2.393 64.421 62.300 -0.454 0.000 1.084 88 V CB -0.357 31.251 31.823 -0.359 0.000 0.676 88 V HN 0.743 nan 8.190 nan 0.000 0.469 89 D N -0.174 119.600 120.400 -1.042 0.000 2.368 89 D HA 0.211 4.851 4.640 0.000 0.000 0.218 89 D C 0.021 176.153 176.300 -0.280 0.000 1.112 89 D CA -0.022 53.606 54.000 -0.621 0.000 0.834 89 D CB 0.805 41.279 40.800 -0.544 0.000 0.953 89 D HN 0.417 nan 8.370 nan 0.000 0.505 90 L N 1.465 122.588 121.223 -0.165 0.000 2.366 90 L HA 0.395 4.735 4.340 0.000 0.000 0.266 90 L C -0.947 175.843 176.870 -0.134 0.000 1.010 90 L CA -0.452 54.379 54.840 -0.016 0.000 0.879 90 L CB 0.673 42.850 42.059 0.196 0.000 1.228 90 L HN -0.170 nan 8.230 nan 0.000 0.439 91 I N 3.945 124.339 120.570 -0.293 0.000 2.291 91 I HA 0.234 4.404 4.170 0.000 0.000 0.292 91 I C 0.225 176.275 176.117 -0.112 0.000 1.064 91 I CA -0.227 60.907 61.300 -0.275 0.000 1.269 91 I CB 0.709 38.379 38.000 -0.551 0.000 1.418 91 I HN 0.558 nan 8.210 nan 0.000 0.485 92 E N 6.935 127.113 120.200 -0.036 0.000 2.194 92 E HA 0.453 4.803 4.350 0.000 0.000 0.284 92 E C -0.684 175.944 176.600 0.048 0.000 1.035 92 E CA -0.283 56.129 56.400 0.019 0.000 0.836 92 E CB 1.439 31.147 29.700 0.012 0.000 1.070 92 E HN 0.478 nan 8.360 nan 0.000 0.401 93 I N 2.680 123.302 120.570 0.086 0.000 2.433 93 I HA 0.168 4.338 4.170 0.000 0.000 0.292 93 I C -0.546 175.610 176.117 0.066 0.000 1.001 93 I CA -0.716 60.638 61.300 0.090 0.000 1.119 93 I CB 1.723 39.807 38.000 0.141 0.000 1.289 93 I HN 0.378 nan 8.210 nan 0.000 0.438 94 D N 5.087 125.511 120.400 0.040 0.000 2.472 94 D HA 0.413 5.053 4.640 0.000 0.000 0.234 94 D C 0.698 176.999 176.300 0.002 0.000 1.088 94 D CA -0.358 53.657 54.000 0.024 0.000 0.882 94 D CB 1.813 42.623 40.800 0.016 0.000 1.037 94 D HN 0.614 nan 8.370 nan 0.000 0.520 95 A N 3.173 125.987 122.820 -0.011 0.000 2.067 95 A HA 0.052 4.372 4.320 0.000 0.000 0.219 95 A C 1.897 179.435 177.584 -0.078 0.000 1.158 95 A CA 1.425 53.428 52.037 -0.057 0.000 0.661 95 A CB -0.138 18.809 19.000 -0.088 0.000 0.801 95 A HN 0.556 nan 8.150 nan 0.000 0.452 96 A N -0.776 122.009 122.820 -0.059 0.000 2.208 96 A HA 0.297 4.618 4.320 0.000 0.000 0.209 96 A C 1.358 178.924 177.584 -0.031 0.000 1.161 96 A CA 0.729 52.733 52.037 -0.055 0.000 0.782 96 A CB -0.395 18.585 19.000 -0.033 0.000 0.816 96 A HN 0.409 nan 8.150 nan 0.000 0.477 97 S N -0.415 115.272 115.700 -0.022 0.000 2.499 97 S HA 0.288 4.758 4.470 0.000 0.000 0.275 97 S C 1.089 175.679 174.600 -0.017 0.000 1.257 97 S CA -0.555 57.637 58.200 -0.013 0.000 1.050 97 S CB 0.420 63.617 63.200 -0.005 0.000 0.937 97 S HN 0.515 nan 8.310 nan 0.000 0.490 98 R N 2.501 122.994 120.500 -0.013 0.000 2.189 98 R HA -0.015 4.325 4.340 0.000 0.000 0.218 98 R C 1.580 177.874 176.300 -0.010 0.000 1.074 98 R CA 1.510 57.603 56.100 -0.013 0.000 0.991 98 R CB -0.194 30.100 30.300 -0.009 0.000 0.883 98 R HN 0.625 nan 8.270 nan 0.000 0.457 99 T N 0.301 114.851 114.554 -0.007 0.000 3.035 99 T HA 0.038 4.389 4.350 0.000 0.000 0.259 99 T C 0.999 175.697 174.700 -0.003 0.000 1.078 99 T CA 0.781 62.878 62.100 -0.005 0.000 1.132 99 T CB 0.212 69.079 68.868 -0.002 0.000 0.900 99 T HN 0.148 nan 8.240 nan 0.000 0.480 100 K N 2.129 122.527 120.400 -0.003 0.000 2.675 100 K HA 0.236 4.556 4.320 0.000 0.000 0.213 100 K C 1.599 178.198 176.600 -0.001 0.000 1.074 100 K CA -0.077 56.211 56.287 0.001 0.000 1.172 100 K CB 0.262 32.766 32.500 0.005 0.000 0.927 100 K HN 0.216 nan 8.250 nan 0.000 0.471 101 V N -1.494 118.415 119.914 -0.008 0.000 2.407 101 V HA -0.261 3.859 4.120 0.000 0.000 0.248 101 V C 2.137 178.228 176.094 -0.006 0.000 1.055 101 V CA 1.666 63.958 62.300 -0.014 0.000 1.049 101 V CB -0.485 31.326 31.823 -0.020 0.000 0.662 101 V HN 0.393 nan 8.190 nan 0.000 0.455 102 E N 0.477 120.676 120.200 -0.002 0.000 2.028 102 E HA -0.220 4.130 4.350 0.000 0.000 0.190 102 E C 2.012 178.622 176.600 0.016 0.000 0.984 102 E CA 1.272 57.673 56.400 0.003 0.000 0.800 102 E CB -0.139 29.562 29.700 0.000 0.000 0.758 102 E HN 0.591 nan 8.360 nan 0.000 0.448 103 D N -0.027 120.384 120.400 0.017 0.000 2.158 103 D HA -0.149 4.491 4.640 0.000 0.000 0.197 103 D C 1.899 178.224 176.300 0.041 0.000 0.995 103 D CA 1.480 55.497 54.000 0.028 0.000 0.846 103 D CB -0.371 40.443 40.800 0.024 0.000 0.941 103 D HN 0.207 nan 8.370 nan 0.000 0.456 104 T N 0.520 115.093 114.554 0.032 0.000 2.674 104 T HA -0.168 4.183 4.350 0.000 0.000 0.265 104 T C 1.971 176.697 174.700 0.042 0.000 1.039 104 T CA 1.156 63.278 62.100 0.036 0.000 1.150 104 T CB -0.001 68.871 68.868 0.008 0.000 0.864 104 T HN 0.150 nan 8.240 nan 0.000 0.427 105 R N 0.806 121.328 120.500 0.038 0.000 2.073 105 R HA -0.133 4.207 4.340 0.000 0.000 0.234 105 R C 1.980 178.328 176.300 0.081 0.000 1.134 105 R CA 1.910 58.051 56.100 0.068 0.000 0.952 105 R CB -0.247 30.088 30.300 0.058 0.000 0.850 105 R HN 0.298 nan 8.270 nan 0.000 0.433 106 D N 0.649 121.087 120.400 0.064 0.000 2.084 106 D HA -0.167 4.473 4.640 0.000 0.000 0.194 106 D C 2.065 178.411 176.300 0.076 0.000 0.990 106 D CA 1.214 55.255 54.000 0.067 0.000 0.826 106 D CB -0.317 40.514 40.800 0.051 0.000 0.971 106 D HN 0.264 nan 8.370 nan 0.000 0.453 107 L N 0.394 121.670 121.223 0.088 0.000 2.079 107 L HA -0.163 4.177 4.340 0.000 0.000 0.210 107 L C 2.532 179.472 176.870 0.116 0.000 1.081 107 L CA 0.760 55.679 54.840 0.132 0.000 0.752 107 L CB -0.337 41.826 42.059 0.174 0.000 0.896 107 L HN 0.042 nan 8.230 nan 0.000 0.433 108 L N -0.834 120.431 121.223 0.071 0.000 2.291 108 L HA -0.133 4.207 4.340 0.000 0.000 0.214 108 L C 1.610 178.472 176.870 -0.014 0.000 1.120 108 L CA 0.611 55.453 54.840 0.004 0.000 0.799 108 L CB -0.372 41.682 42.059 -0.009 0.000 0.925 108 L HN 0.265 nan 8.230 nan 0.000 0.446 109 D N -0.285 120.133 120.400 0.030 0.000 2.348 109 D HA 0.007 4.647 4.640 0.000 0.000 0.211 109 D C 0.470 176.803 176.300 0.056 0.000 0.998 109 D CA 0.599 54.623 54.000 0.040 0.000 0.873 109 D CB 0.219 41.074 40.800 0.091 0.000 0.925 109 D HN 0.273 nan 8.370 nan 0.000 0.524 110 N N 0.767 119.501 118.700 0.058 0.000 2.723 110 N HA 0.096 4.837 4.740 0.000 0.000 0.290 110 N C -0.630 174.916 175.510 0.060 0.000 1.882 110 N CA -0.099 52.997 53.050 0.076 0.000 0.851 110 N CB 2.200 40.737 38.487 0.083 0.000 1.234 110 N HN -0.151 nan 8.380 nan 0.000 0.491 111 V N 1.491 121.384 119.914 -0.035 0.000 2.617 111 V HA -0.077 4.044 4.120 0.000 0.000 0.304 111 V C 0.871 176.859 176.094 -0.176 0.000 1.040 111 V CA 0.343 62.544 62.300 -0.166 0.000 1.149 111 V CB 0.573 32.124 31.823 -0.452 0.000 0.914 111 V HN 0.325 nan 8.190 nan 0.000 0.487 112 Q N 4.156 123.972 119.800 0.027 0.000 2.441 112 Q HA 0.225 4.565 4.340 0.000 0.000 0.234 112 Q C -0.101 175.911 176.000 0.020 0.000 1.078 112 Q CA -0.214 55.620 55.803 0.051 0.000 0.907 112 Q CB 0.391 29.171 28.738 0.070 0.000 1.269 112 Q HN 0.771 nan 8.270 nan 0.000 0.502 113 Y N 0.721 121.111 120.300 0.150 0.000 2.483 113 Y HA -0.095 4.456 4.550 0.000 0.000 0.291 113 Y C 1.007 177.017 175.900 0.183 0.000 1.143 113 Y CA 0.420 58.619 58.100 0.165 0.000 1.289 113 Y CB 0.424 38.966 38.460 0.136 0.000 0.983 113 Y HN 0.484 nan 8.280 nan 0.000 0.556 114 A N 0.365 123.326 122.820 0.235 0.000 2.311 114 A HA 0.556 4.876 4.320 0.000 0.000 0.306 114 A C -2.610 175.000 177.584 0.043 0.000 1.189 114 A CA -1.841 50.273 52.037 0.129 0.000 0.791 114 A CB 0.420 19.471 19.000 0.084 0.000 1.172 114 A HN -0.111 nan 8.150 nan 0.000 0.481 115 P HA 0.265 nan 4.420 nan 0.000 0.267 115 P C 0.791 178.046 177.300 -0.076 0.000 1.200 115 P CA 0.335 63.410 63.100 -0.042 0.000 0.772 115 P CB 1.085 32.765 31.700 -0.033 0.000 0.855 116 A N 2.341 125.094 122.820 -0.112 0.000 1.997 116 A HA 0.014 4.335 4.320 0.000 0.000 0.212 116 A C 2.024 179.549 177.584 -0.099 0.000 1.178 116 A CA 1.200 53.176 52.037 -0.102 0.000 0.698 116 A CB -0.319 18.611 19.000 -0.117 0.000 0.842 116 A HN 0.454 nan 8.150 nan 0.000 0.458 117 R N -1.174 119.250 120.500 -0.127 0.000 2.610 117 R HA 0.277 4.617 4.340 0.000 0.000 0.171 117 R C 1.267 177.582 176.300 0.025 0.000 0.892 117 R CA 0.970 57.037 56.100 -0.056 0.000 1.086 117 R CB -0.516 29.745 30.300 -0.064 0.000 1.320 117 R HN 0.342 nan 8.270 nan 0.000 0.582 118 G N 0.403 109.253 108.800 0.083 0.000 2.580 118 G HA2 0.170 4.130 3.960 0.000 0.000 0.278 118 G HA3 0.170 4.130 3.960 0.000 0.000 0.278 118 G C 0.096 175.012 174.900 0.026 0.000 1.212 118 G CA -0.139 45.074 45.100 0.188 0.000 0.939 118 G HN 0.443 nan 8.290 nan 0.000 0.513 119 R N -1.552 118.923 120.500 -0.042 0.000 2.235 119 R HA 0.135 4.475 4.340 0.000 0.000 0.213 119 R C -0.462 175.587 176.300 -0.419 0.000 1.059 119 R CA 0.595 56.523 56.100 -0.287 0.000 0.997 119 R CB -0.091 29.952 30.300 -0.428 0.000 0.884 119 R HN 0.225 nan 8.270 nan 0.000 0.462 120 F N 0.374 120.387 119.950 0.104 0.000 2.576 120 F HA 0.439 4.966 4.527 0.000 0.000 0.313 120 F C -0.047 175.791 175.800 0.063 0.000 1.078 120 F CA -1.468 56.602 58.000 0.117 0.000 0.921 120 F CB 1.743 40.819 39.000 0.127 0.000 1.232 120 F HN -0.327 nan 8.300 nan 0.000 0.459 121 K N 2.520 123.079 120.400 0.265 0.000 2.264 121 K HA 0.549 4.869 4.320 0.000 0.000 0.277 121 K C -1.289 175.323 176.600 0.021 0.000 1.067 121 K CA -0.292 56.030 56.287 0.059 0.000 0.900 121 K CB 1.145 33.679 32.500 0.058 0.000 1.124 121 K HN 0.454 nan 8.250 nan 0.000 0.469 122 V N 5.650 125.518 119.914 -0.075 0.000 2.435 122 V HA 0.351 4.472 4.120 0.000 0.000 0.290 122 V C -0.751 175.187 176.094 -0.261 0.000 1.030 122 V CA -0.878 61.369 62.300 -0.089 0.000 0.881 122 V CB 0.923 32.753 31.823 0.012 0.000 0.983 122 V HN 0.491 nan 8.190 nan 0.000 0.445 123 Y N 4.354 124.499 120.300 -0.257 0.000 2.335 123 Y HA 0.560 5.110 4.550 0.000 0.000 0.338 123 Y C -0.070 175.819 175.900 -0.017 0.000 0.977 123 Y CA -0.798 57.196 58.100 -0.176 0.000 1.114 123 Y CB 1.740 40.002 38.460 -0.329 0.000 1.182 123 Y HN 0.395 nan 8.280 nan 0.000 0.463 124 L N 6.445 127.759 121.223 0.151 0.000 2.316 124 L HA 0.576 4.916 4.340 0.000 0.000 0.280 124 L C -1.321 175.653 176.870 0.173 0.000 1.006 124 L CA -0.470 54.462 54.840 0.152 0.000 0.836 124 L CB 0.555 42.660 42.059 0.077 0.000 1.221 124 L HN 0.666 nan 8.230 nan 0.000 0.418 125 I N 4.616 125.311 120.570 0.209 0.000 2.354 125 I HA 0.253 4.423 4.170 0.000 0.000 0.286 125 I C -0.432 175.772 176.117 0.145 0.000 1.007 125 I CA -0.733 60.673 61.300 0.177 0.000 1.167 125 I CB 1.614 39.735 38.000 0.203 0.000 1.320 125 I HN 0.441 nan 8.210 nan 0.000 0.458 126 D N 6.794 127.257 120.400 0.104 0.000 2.302 126 D HA 0.090 4.730 4.640 0.000 0.000 0.248 126 D C 0.390 176.739 176.300 0.081 0.000 1.094 126 D CA -0.040 54.014 54.000 0.091 0.000 0.897 126 D CB 0.776 41.612 40.800 0.060 0.000 1.200 126 D HN 0.386 nan 8.370 nan 0.000 0.429 127 E N 0.424 120.692 120.200 0.114 0.000 2.183 127 E HA -0.174 4.176 4.350 0.000 0.000 0.196 127 E C 0.994 177.619 176.600 0.043 0.000 1.364 127 E CA 0.129 56.599 56.400 0.116 0.000 0.700 127 E CB -1.459 28.246 29.700 0.008 0.000 1.106 127 E HN 0.375 nan 8.360 nan 0.000 0.347 128 V N 1.412 121.421 119.914 0.157 0.000 2.688 128 V HA -0.288 3.832 4.120 0.000 0.000 0.256 128 V C 2.373 178.597 176.094 0.217 0.000 1.084 128 V CA 2.504 64.897 62.300 0.156 0.000 1.103 128 V CB -0.503 31.442 31.823 0.202 0.000 0.688 128 V HN 0.676 nan 8.190 nan 0.000 0.480 129 H N -1.394 117.798 119.070 0.204 0.000 2.546 129 H HA -0.009 4.548 4.556 0.001 0.000 0.277 129 H C 1.673 177.133 175.328 0.219 0.000 1.004 129 H CA 1.159 57.390 56.048 0.304 0.000 1.231 129 H CB -0.429 29.445 29.762 0.188 0.000 1.382 129 H HN 0.482 nan 8.280 nan 0.000 0.580 130 M N 1.102 120.447 119.600 -0.424 0.000 2.494 130 M HA 0.207 4.688 4.480 0.000 0.000 0.232 130 M C 0.191 176.316 176.300 -0.291 0.000 1.137 130 M CA -0.082 55.009 55.300 -0.348 0.000 1.012 130 M CB 0.406 32.775 32.600 -0.384 0.000 1.567 130 M HN 0.056 nan 8.290 nan 0.000 0.486 131 L N 0.576 121.537 121.223 -0.436 0.000 2.452 131 L HA 0.110 4.451 4.340 0.000 0.000 0.267 131 L C 1.097 177.538 176.870 -0.714 0.000 1.188 131 L CA -0.443 54.042 54.840 -0.592 0.000 0.821 131 L CB 0.685 42.284 42.059 -0.767 0.000 1.102 131 L HN 0.257 nan 8.230 nan 0.000 0.470 132 S N 1.922 117.370 115.700 -0.420 0.000 2.589 132 S HA 0.089 4.559 4.470 0.000 0.000 0.265 132 S C 1.025 175.454 174.600 -0.285 0.000 1.342 132 S CA -0.388 57.663 58.200 -0.248 0.000 1.005 132 S CB 0.944 64.095 63.200 -0.083 0.000 0.909 132 S HN 0.707 nan 8.310 nan 0.000 0.555 133 R N -0.233 120.251 120.500 -0.028 0.000 2.120 133 R HA -0.150 4.190 4.340 0.000 0.000 0.234 133 R C 2.232 178.607 176.300 0.125 0.000 1.123 133 R CA 1.740 57.931 56.100 0.150 0.000 0.975 133 R CB -0.735 29.659 30.300 0.157 0.000 0.866 133 R HN 0.961 nan 8.270 nan 0.000 0.446 134 H N -0.187 118.878 119.070 -0.008 0.000 2.290 134 H HA -0.035 4.521 4.556 0.000 0.000 0.298 134 H C 1.911 177.232 175.328 -0.012 0.000 1.087 134 H CA 2.574 58.619 56.048 -0.005 0.000 1.291 134 H CB -0.198 29.552 29.762 -0.022 0.000 1.369 134 H HN 0.080 nan 8.280 nan 0.000 0.492 135 S N -0.294 115.359 115.700 -0.080 0.000 2.383 135 S HA -0.091 4.379 4.470 0.000 0.000 0.227 135 S C 1.858 176.408 174.600 -0.084 0.000 1.026 135 S CA 0.879 58.992 58.200 -0.145 0.000 0.981 135 S CB -0.380 62.743 63.200 -0.129 0.000 0.818 135 S HN 0.289 nan 8.310 nan 0.000 0.472 136 F N 2.864 122.771 119.950 -0.071 0.000 2.065 136 F HA -0.123 4.404 4.527 0.000 0.000 0.298 136 F C 2.335 178.069 175.800 -0.109 0.000 1.112 136 F CA 0.744 58.699 58.000 -0.075 0.000 1.212 136 F CB -0.997 37.979 39.000 -0.041 0.000 0.975 136 F HN 0.219 nan 8.300 nan 0.000 0.476 137 N N 0.029 118.787 118.700 0.098 0.000 2.223 137 N HA -0.126 4.615 4.740 0.000 0.000 0.185 137 N C 1.998 177.458 175.510 -0.084 0.000 1.016 137 N CA 1.212 54.255 53.050 -0.012 0.000 0.863 137 N CB -0.465 38.006 38.487 -0.027 0.000 0.983 137 N HN 0.265 nan 8.380 nan 0.000 0.429 138 A N 1.376 124.105 122.820 -0.153 0.000 1.877 138 A HA -0.123 4.197 4.320 0.000 0.000 0.216 138 A C 2.260 179.757 177.584 -0.145 0.000 1.186 138 A CA 1.006 52.943 52.037 -0.167 0.000 0.620 138 A CB -0.786 18.087 19.000 -0.212 0.000 0.822 138 A HN 0.226 nan 8.150 nan 0.000 0.443 139 L N -0.300 120.834 121.223 -0.148 0.000 1.994 139 L HA -0.132 4.208 4.340 0.000 0.000 0.208 139 L C 2.287 179.026 176.870 -0.219 0.000 1.071 139 L CA 1.839 56.531 54.840 -0.247 0.000 0.745 139 L CB -0.570 41.383 42.059 -0.177 0.000 0.892 139 L HN 0.464 nan 8.230 nan 0.000 0.431 140 L N -0.284 120.870 121.223 -0.114 0.000 1.978 140 L HA -0.358 3.982 4.340 0.000 0.000 0.218 140 L C 2.692 179.509 176.870 -0.088 0.000 1.075 140 L CA 2.441 57.225 54.840 -0.092 0.000 0.767 140 L CB -0.517 41.506 42.059 -0.060 0.000 0.890 140 L HN 0.441 nan 8.230 nan 0.000 0.434 141 K N -1.128 119.227 120.400 -0.075 0.000 2.089 141 K HA -0.234 4.086 4.320 0.000 0.000 0.210 141 K C 1.805 178.380 176.600 -0.042 0.000 1.048 141 K CA 2.426 58.683 56.287 -0.051 0.000 0.926 141 K CB -0.089 32.386 32.500 -0.043 0.000 0.714 141 K HN 0.416 nan 8.250 nan 0.000 0.448 142 T N 1.226 115.733 114.554 -0.079 0.000 2.857 142 T HA -0.032 4.318 4.350 0.000 0.000 0.266 142 T C 1.638 176.315 174.700 -0.038 0.000 1.048 142 T CA 0.917 62.989 62.100 -0.046 0.000 1.139 142 T CB 0.004 68.786 68.868 -0.143 0.000 0.874 142 T HN 0.167 nan 8.240 nan 0.000 0.455 143 L N 0.635 121.796 121.223 -0.103 0.000 2.291 143 L HA 0.014 4.354 4.340 0.000 0.000 0.214 143 L C 2.461 179.318 176.870 -0.021 0.000 1.120 143 L CA 1.121 55.960 54.840 -0.001 0.000 0.799 143 L CB -0.457 41.588 42.059 -0.024 0.000 0.925 143 L HN 0.357 nan 8.230 nan 0.000 0.446 144 E N -0.270 119.904 120.200 -0.043 0.000 2.170 144 E HA -0.075 4.275 4.350 0.000 0.000 0.191 144 E C 0.955 177.521 176.600 -0.058 0.000 0.981 144 E CA 0.391 56.760 56.400 -0.051 0.000 0.830 144 E CB 0.332 30.008 29.700 -0.039 0.000 0.775 144 E HN 0.251 nan 8.360 nan 0.000 0.470 145 E N 1.351 121.533 120.200 -0.030 0.000 3.588 145 E HA 0.154 4.504 4.350 0.000 0.000 0.213 145 E C -2.553 174.060 176.600 0.023 0.000 1.168 145 E CA -2.177 54.215 56.400 -0.014 0.000 1.254 145 E CB 0.763 30.468 29.700 0.008 0.000 1.302 145 E HN -0.090 nan 8.360 nan 0.000 0.429 146 P HA -0.067 nan 4.420 nan 0.000 0.227 146 P C -2.471 174.889 177.300 0.100 0.000 1.036 146 P CA -0.261 62.845 63.100 0.010 0.000 1.080 146 P CB -0.340 31.250 31.700 -0.182 0.000 1.046 147 P HA 0.016 nan 4.420 nan 0.000 0.264 147 P C 0.166 177.570 177.300 0.173 0.000 1.193 147 P CA 0.372 63.646 63.100 0.290 0.000 0.763 147 P CB 0.472 32.440 31.700 0.446 0.000 0.810 148 E N 2.709 122.931 120.200 0.036 0.000 2.349 148 E HA 0.095 4.446 4.350 0.000 0.000 0.262 148 E C 0.499 177.015 176.600 -0.139 0.000 1.088 148 E CA 0.029 56.350 56.400 -0.131 0.000 0.899 148 E CB 0.089 29.567 29.700 -0.369 0.000 1.044 148 E HN 0.484 nan 8.360 nan 0.000 0.420 149 H N -0.499 118.775 119.070 0.339 0.000 3.863 149 H HA -0.135 4.421 4.556 0.000 0.000 0.160 149 H C -0.588 174.971 175.328 0.386 0.000 0.870 149 H CA 0.941 57.208 56.048 0.365 0.000 1.247 149 H CB -1.976 27.895 29.762 0.182 0.000 0.921 149 H HN 0.160 nan 8.280 nan 0.000 0.421 150 V N 2.329 122.455 119.914 0.354 0.000 2.444 150 V HA 0.484 4.604 4.120 0.000 0.000 0.294 150 V C 0.251 176.412 176.094 0.111 0.000 1.022 150 V CA -0.856 61.563 62.300 0.199 0.000 0.850 150 V CB 2.589 34.486 31.823 0.123 0.000 0.992 150 V HN 0.008 nan 8.190 nan 0.000 0.426 151 K N 3.894 124.291 120.400 -0.005 0.000 2.316 151 K HA 0.641 4.961 4.320 0.000 0.000 0.251 151 K C -1.327 175.197 176.600 -0.127 0.000 0.934 151 K CA -0.458 55.833 56.287 0.007 0.000 0.802 151 K CB 2.415 34.893 32.500 -0.037 0.000 1.171 151 K HN 0.435 nan 8.250 nan 0.000 0.426 152 F N 2.314 122.378 119.950 0.189 0.000 2.426 152 F HA 0.409 4.937 4.527 0.000 0.000 0.348 152 F C 0.113 176.038 175.800 0.208 0.000 1.124 152 F CA -0.735 57.373 58.000 0.181 0.000 1.008 152 F CB 1.070 40.128 39.000 0.097 0.000 1.139 152 F HN 0.085 nan 8.300 nan 0.000 0.452 153 L N 5.996 127.426 121.223 0.346 0.000 2.318 153 L HA 0.503 4.844 4.340 0.000 0.000 0.277 153 L C -0.778 176.291 176.870 0.331 0.000 1.008 153 L CA -0.452 54.598 54.840 0.350 0.000 0.846 153 L CB 0.867 43.091 42.059 0.276 0.000 1.220 153 L HN 0.475 nan 8.230 nan 0.000 0.423 154 L N 2.792 124.195 121.223 0.300 0.000 2.334 154 L HA 0.897 5.237 4.340 0.000 0.000 0.275 154 L C 0.192 177.230 176.870 0.280 0.000 1.036 154 L CA -0.523 54.465 54.840 0.247 0.000 0.807 154 L CB 1.746 43.907 42.059 0.169 0.000 1.231 154 L HN 0.646 nan 8.230 nan 0.000 0.438 155 A N 1.198 124.162 122.820 0.239 0.000 2.435 155 A HA 0.853 5.174 4.320 0.000 0.000 0.304 155 A C -0.620 177.085 177.584 0.202 0.000 1.064 155 A CA -0.504 51.675 52.037 0.237 0.000 0.727 155 A CB 2.198 21.314 19.000 0.193 0.000 1.284 155 A HN 0.619 nan 8.150 nan 0.000 0.415 156 T N -0.531 114.135 114.554 0.186 0.000 3.003 156 T HA 0.431 4.782 4.350 0.000 0.000 0.354 156 T C 0.516 175.283 174.700 0.112 0.000 1.651 156 T CA 0.435 62.653 62.100 0.196 0.000 1.103 156 T CB 0.914 69.918 68.868 0.227 0.000 1.450 156 T HN 1.428 nan 8.240 nan 0.000 0.484 157 T N -0.413 114.188 114.554 0.077 0.000 3.081 157 T HA 0.287 4.637 4.350 0.000 0.000 0.250 157 T C 0.315 174.962 174.700 -0.088 0.000 1.100 157 T CA 0.250 62.362 62.100 0.020 0.000 1.038 157 T CB 0.086 68.983 68.868 0.048 0.000 0.962 157 T HN 0.463 nan 8.240 nan 0.000 0.516 158 D N 1.659 121.908 120.400 -0.252 0.000 2.621 158 D HA 0.266 4.906 4.640 0.000 0.000 0.274 158 D C -2.064 174.108 176.300 -0.213 0.000 1.215 158 D CA -1.994 51.820 54.000 -0.309 0.000 0.810 158 D CB 1.694 42.169 40.800 -0.542 0.000 1.248 158 D HN -0.015 nan 8.370 nan 0.000 0.517 159 P HA -0.201 nan 4.420 nan 0.000 0.216 159 P C 1.405 178.686 177.300 -0.032 0.000 1.150 159 P CA 1.123 64.210 63.100 -0.022 0.000 0.843 159 P CB 0.442 32.151 31.700 0.015 0.000 0.787 160 Q N -0.204 119.573 119.800 -0.038 0.000 2.181 160 Q HA -0.148 4.192 4.340 0.000 0.000 0.205 160 Q C 1.832 177.812 176.000 -0.033 0.000 0.980 160 Q CA 1.070 56.852 55.803 -0.035 0.000 0.862 160 Q CB -0.407 28.313 28.738 -0.030 0.000 0.905 160 Q HN 0.356 nan 8.270 nan 0.000 0.429 161 K N 0.409 120.791 120.400 -0.029 0.000 2.515 161 K HA 0.032 4.352 4.320 0.000 0.000 0.196 161 K C 0.807 177.434 176.600 0.045 0.000 1.038 161 K CA 0.344 56.654 56.287 0.038 0.000 0.967 161 K CB -0.088 32.475 32.500 0.106 0.000 0.780 161 K HN 0.237 nan 8.250 nan 0.000 0.483 162 L N 2.256 123.467 121.223 -0.020 0.000 2.350 162 L HA 0.189 4.530 4.340 0.000 0.000 0.275 162 L C -2.158 174.552 176.870 -0.267 0.000 1.099 162 L CA -2.123 52.623 54.840 -0.157 0.000 0.808 162 L CB 0.842 42.854 42.059 -0.077 0.000 1.149 162 L HN -0.202 nan 8.230 nan 0.000 0.442 163 P HA -0.069 nan 4.420 nan 0.000 0.263 163 P C 0.821 177.985 177.300 -0.227 0.000 1.195 163 P CA -0.167 62.716 63.100 -0.362 0.000 0.762 163 P CB 0.669 32.067 31.700 -0.502 0.000 0.799 164 V N 1.659 121.483 119.914 -0.149 0.000 2.828 164 V HA -0.227 3.893 4.120 0.000 0.000 0.260 164 V C 1.651 177.685 176.094 -0.101 0.000 1.101 164 V CA 2.309 64.545 62.300 -0.107 0.000 1.123 164 V CB -2.111 29.665 31.823 -0.078 0.000 0.704 164 V HN 0.605 nan 8.190 nan 0.000 0.493 165 T N -1.379 113.108 114.554 -0.112 0.000 2.867 165 T HA 0.014 4.365 4.350 0.000 0.000 0.268 165 T C 1.809 176.453 174.700 -0.093 0.000 1.057 165 T CA 1.799 63.844 62.100 -0.091 0.000 1.136 165 T CB -0.453 68.362 68.868 -0.088 0.000 0.874 165 T HN 0.519 nan 8.240 nan 0.000 0.466 166 I N 0.270 120.764 120.570 -0.126 0.000 2.385 166 I HA 0.133 4.303 4.170 0.000 0.000 0.244 166 I C 2.460 178.516 176.117 -0.102 0.000 1.089 166 I CA 0.432 61.663 61.300 -0.115 0.000 1.410 166 I CB -0.287 37.627 38.000 -0.143 0.000 1.117 166 I HN 0.137 nan 8.210 nan 0.000 0.429 167 L N 0.454 121.610 121.223 -0.111 0.000 2.043 167 L HA -0.297 4.043 4.340 0.000 0.000 0.212 167 L C 2.692 179.501 176.870 -0.101 0.000 1.075 167 L CA 1.960 56.739 54.840 -0.101 0.000 0.752 167 L CB -0.278 41.727 42.059 -0.090 0.000 0.891 167 L HN 0.268 nan 8.230 nan 0.000 0.432 168 S N -0.837 114.812 115.700 -0.084 0.000 2.469 168 S HA -0.175 4.295 4.470 0.000 0.000 0.238 168 S C 1.872 176.438 174.600 -0.058 0.000 0.998 168 S CA 1.032 59.190 58.200 -0.070 0.000 0.957 168 S CB -0.255 62.912 63.200 -0.055 0.000 0.764 168 S HN 0.446 nan 8.310 nan 0.000 0.514 169 R N -0.420 120.049 120.500 -0.052 0.000 2.359 169 R HA 0.368 4.708 4.340 0.000 0.000 0.231 169 R C -0.194 176.034 176.300 -0.121 0.000 0.913 169 R CA 0.032 56.134 56.100 0.003 0.000 1.075 169 R CB -0.035 30.313 30.300 0.080 0.000 1.087 169 R HN 0.364 nan 8.270 nan 0.000 0.515 170 C N -0.532 118.656 119.300 -0.187 0.000 2.486 170 C HA 0.485 4.945 4.460 0.000 0.000 0.348 170 C C -0.549 174.227 174.990 -0.357 0.000 1.203 170 C CA -1.293 57.546 59.018 -0.299 0.000 1.911 170 C CB 1.195 28.794 27.740 -0.235 0.000 2.340 170 C HN 0.183 nan 8.230 nan 0.000 0.511 171 L N 2.152 123.077 121.223 -0.496 0.000 2.255 171 L HA 0.365 4.705 4.340 0.000 0.000 0.289 171 L C -0.225 176.226 176.870 -0.699 0.000 1.046 171 L CA 0.556 55.015 54.840 -0.636 0.000 0.816 171 L CB 0.439 42.020 42.059 -0.798 0.000 1.197 171 L HN 0.696 nan 8.230 nan 0.000 0.427 172 Q N 4.556 123.927 119.800 -0.714 0.000 2.256 172 Q HA 0.511 4.851 4.340 0.000 0.000 0.254 172 Q C -1.454 173.971 176.000 -0.959 0.000 0.916 172 Q CA 0.075 55.462 55.803 -0.693 0.000 0.932 172 Q CB 1.463 29.916 28.738 -0.475 0.000 1.207 172 Q HN 0.438 nan 8.270 nan 0.000 0.426 173 F N 1.522 121.184 119.950 -0.481 0.000 2.518 173 F HA 0.292 4.820 4.527 0.000 0.000 0.323 173 F C -0.105 175.521 175.800 -0.291 0.000 1.129 173 F CA -0.804 57.019 58.000 -0.294 0.000 0.920 173 F CB 1.377 40.291 39.000 -0.142 0.000 1.160 173 F HN 0.468 nan 8.300 nan 0.000 0.440 174 H N 5.017 124.244 119.070 0.262 0.000 2.690 174 H HA 0.335 4.891 4.556 0.001 0.000 0.289 174 H C -0.630 174.878 175.328 0.299 0.000 1.089 174 H CA -0.661 55.522 56.048 0.224 0.000 1.299 174 H CB 1.317 31.173 29.762 0.158 0.000 1.405 174 H HN 0.359 nan 8.280 nan 0.000 0.463 175 L N 3.313 124.712 121.223 0.294 0.000 2.350 175 L HA 0.193 4.533 4.340 0.000 0.000 0.275 175 L C 0.640 177.634 176.870 0.207 0.000 1.099 175 L CA 0.015 54.996 54.840 0.234 0.000 0.808 175 L CB 0.675 42.819 42.059 0.141 0.000 1.149 175 L HN 0.400 nan 8.230 nan 0.000 0.442 176 K N 1.561 122.078 120.400 0.195 0.000 2.098 176 K HA 0.737 5.057 4.320 0.000 0.000 0.258 176 K C -0.179 176.469 176.600 0.082 0.000 0.973 176 K CA -0.768 55.594 56.287 0.124 0.000 0.898 176 K CB 1.286 33.848 32.500 0.104 0.000 1.057 176 K HN 0.686 nan 8.250 nan 0.000 0.447 177 A N 2.184 125.038 122.820 0.056 0.000 2.346 177 A HA 0.281 4.601 4.320 0.000 0.000 0.255 177 A C -0.239 177.365 177.584 0.033 0.000 1.113 177 A CA -0.193 51.867 52.037 0.039 0.000 0.798 177 A CB 0.077 19.095 19.000 0.029 0.000 1.073 177 A HN 0.605 nan 8.150 nan 0.000 0.502 178 L N 0.145 121.382 121.223 0.023 0.000 2.344 178 L HA 0.286 4.626 4.340 0.000 0.000 0.272 178 L C 0.106 176.983 176.870 0.013 0.000 1.035 178 L CA -0.889 53.962 54.840 0.018 0.000 0.807 178 L CB 1.214 43.280 42.059 0.012 0.000 1.237 178 L HN 0.734 nan 8.230 nan 0.000 0.442 179 D N 0.671 121.076 120.400 0.010 0.000 2.424 179 D HA 0.026 4.666 4.640 0.000 0.000 0.244 179 D C 0.938 177.242 176.300 0.007 0.000 1.134 179 D CA -0.060 53.944 54.000 0.006 0.000 0.881 179 D CB 1.840 42.641 40.800 0.002 0.000 1.191 179 D HN 0.212 nan 8.370 nan 0.000 0.445 180 V N 4.340 124.258 119.914 0.007 0.000 2.324 180 V HA -0.243 3.877 4.120 0.000 0.000 0.250 180 V C 1.993 178.095 176.094 0.013 0.000 1.060 180 V CA 1.864 64.169 62.300 0.008 0.000 1.042 180 V CB -0.558 31.269 31.823 0.007 0.000 0.650 180 V HN 0.650 nan 8.190 nan 0.000 0.450 181 E N -0.710 119.499 120.200 0.015 0.000 2.516 181 E HA -0.185 4.166 4.350 0.000 0.000 0.199 181 E C 2.061 178.680 176.600 0.033 0.000 1.069 181 E CA 0.360 56.775 56.400 0.026 0.000 0.876 181 E CB 0.034 29.747 29.700 0.021 0.000 0.843 181 E HN 0.653 nan 8.360 nan 0.000 0.530 182 Q N 0.240 120.051 119.800 0.018 0.000 2.226 182 Q HA 0.024 4.364 4.340 0.000 0.000 0.199 182 Q C 2.061 178.076 176.000 0.026 0.000 0.945 182 Q CA 0.375 56.181 55.803 0.006 0.000 0.861 182 Q CB 0.345 29.079 28.738 -0.006 0.000 0.953 182 Q HN 0.259 nan 8.270 nan 0.000 0.490 183 I N 0.414 120.995 120.570 0.019 0.000 2.286 183 I HA -0.238 3.933 4.170 0.000 0.000 0.245 183 I C 2.639 178.764 176.117 0.013 0.000 1.104 183 I CA 0.775 62.082 61.300 0.011 0.000 1.397 183 I CB -0.304 37.697 38.000 0.000 0.000 1.072 183 I HN 0.188 nan 8.210 nan 0.000 0.417 184 R N 0.536 121.049 120.500 0.021 0.000 2.091 184 R HA -0.257 4.083 4.340 0.000 0.000 0.238 184 R C 2.455 178.769 176.300 0.023 0.000 1.136 184 R CA 1.793 57.899 56.100 0.009 0.000 0.959 184 R CB -0.720 29.590 30.300 0.017 0.000 0.856 184 R HN 0.449 nan 8.270 nan 0.000 0.437 185 H N 0.221 119.273 119.070 -0.029 0.000 2.421 185 H HA -0.124 4.433 4.556 0.000 0.000 0.298 185 H C 1.647 176.955 175.328 -0.034 0.000 1.087 185 H CA 1.892 57.926 56.048 -0.023 0.000 1.330 185 H CB 0.280 30.030 29.762 -0.020 0.000 1.388 185 H HN 0.234 nan 8.280 nan 0.000 0.526 186 Q N 0.324 120.205 119.800 0.134 0.000 2.269 186 Q HA 0.056 4.397 4.340 0.000 0.000 0.201 186 Q C 2.560 178.518 176.000 -0.070 0.000 0.946 186 Q CA 0.572 56.405 55.803 0.051 0.000 0.877 186 Q CB -0.054 28.695 28.738 0.019 0.000 0.963 186 Q HN 0.480 nan 8.270 nan 0.000 0.472 187 L N -0.094 121.070 121.223 -0.100 0.000 2.072 187 L HA -0.084 4.256 4.340 0.000 0.000 0.205 187 L C 2.353 179.063 176.870 -0.268 0.000 1.079 187 L CA 1.433 56.166 54.840 -0.178 0.000 0.752 187 L CB -0.371 41.599 42.059 -0.148 0.000 0.906 187 L HN 0.365 nan 8.230 nan 0.000 0.436 188 E N -0.585 119.467 120.200 -0.246 0.000 2.130 188 E HA -0.313 4.037 4.350 0.000 0.000 0.196 188 E C 2.201 178.656 176.600 -0.242 0.000 0.998 188 E CA 1.374 57.595 56.400 -0.298 0.000 0.806 188 E CB -0.037 29.552 29.700 -0.186 0.000 0.738 188 E HN 0.468 nan 8.360 nan 0.000 0.459 189 H N 0.166 119.058 119.070 -0.296 0.000 2.333 189 H HA -0.037 4.519 4.556 0.000 0.000 0.302 189 H C 2.265 177.415 175.328 -0.296 0.000 1.075 189 H CA 1.510 57.408 56.048 -0.249 0.000 1.348 189 H CB -0.002 29.642 29.762 -0.198 0.000 1.393 189 H HN 0.230 nan 8.280 nan 0.000 0.509 190 I N 0.787 121.177 120.570 -0.300 0.000 2.163 190 I HA -0.316 3.854 4.170 0.000 0.000 0.243 190 I C 2.616 178.483 176.117 -0.417 0.000 1.085 190 I CA 0.919 61.865 61.300 -0.589 0.000 1.347 190 I CB -0.205 37.357 38.000 -0.731 0.000 1.044 190 I HN 0.203 nan 8.210 nan 0.000 0.408 191 L N 0.230 121.260 121.223 -0.321 0.000 2.046 191 L HA -0.233 4.108 4.340 0.000 0.000 0.208 191 L C 2.287 179.105 176.870 -0.087 0.000 1.077 191 L CA 1.219 55.938 54.840 -0.202 0.000 0.747 191 L CB -0.832 41.040 42.059 -0.311 0.000 0.896 191 L HN 0.316 nan 8.230 nan 0.000 0.432 192 N N 0.223 118.845 118.700 -0.130 0.000 2.120 192 N HA -0.236 4.504 4.740 0.000 0.000 0.188 192 N C 1.774 177.252 175.510 -0.054 0.000 1.024 192 N CA 1.309 54.303 53.050 -0.094 0.000 0.852 192 N CB -0.186 38.206 38.487 -0.160 0.000 1.003 192 N HN 0.378 nan 8.380 nan 0.000 0.424 193 E N 0.409 120.540 120.200 -0.115 0.000 2.409 193 E HA -0.091 4.260 4.350 0.000 0.000 0.198 193 E C 0.663 177.386 176.600 0.205 0.000 1.024 193 E CA 0.733 57.159 56.400 0.042 0.000 0.861 193 E CB 0.247 29.948 29.700 0.003 0.000 0.788 193 E HN 0.215 nan 8.360 nan 0.000 0.521 194 E N -0.378 119.915 120.200 0.156 0.000 2.476 194 E HA 0.017 4.367 4.350 0.000 0.000 0.199 194 E C -0.425 176.310 176.600 0.225 0.000 1.021 194 E CA 0.093 56.584 56.400 0.152 0.000 0.907 194 E CB 0.150 29.900 29.700 0.083 0.000 0.974 194 E HN 0.399 nan 8.360 nan 0.000 0.489 195 H N -0.017 119.054 119.070 0.002 0.000 2.770 195 H HA -0.160 4.396 4.556 0.000 0.000 0.309 195 H C -0.220 175.120 175.328 0.019 0.000 1.206 195 H CA 0.233 56.287 56.048 0.009 0.000 1.147 195 H CB -1.851 27.916 29.762 0.009 0.000 1.422 195 H HN 0.148 nan 8.280 nan 0.000 0.420 196 I N 0.991 121.637 120.570 0.127 0.000 2.339 196 I HA 0.399 4.569 4.170 0.000 0.000 0.290 196 I C 1.002 177.194 176.117 0.125 0.000 0.994 196 I CA -0.431 60.926 61.300 0.094 0.000 1.191 196 I CB 1.470 39.504 38.000 0.057 0.000 1.343 196 I HN 0.277 nan 8.210 nan 0.000 0.458 197 A N 7.392 130.261 122.820 0.081 0.000 2.531 197 A HA 0.228 4.548 4.320 0.000 0.000 0.236 197 A C -0.112 177.541 177.584 0.115 0.000 1.062 197 A CA 0.496 52.562 52.037 0.048 0.000 0.760 197 A CB -0.107 18.895 19.000 0.005 0.000 0.995 197 A HN 0.906 nan 8.150 nan 0.000 0.501 198 H N 0.225 119.273 119.070 -0.037 0.000 3.112 198 H HA 0.452 5.008 4.556 0.000 0.000 0.347 198 H C -1.556 173.751 175.328 -0.036 0.000 1.188 198 H CA -0.789 55.237 56.048 -0.037 0.000 1.240 198 H CB 0.600 30.335 29.762 -0.045 0.000 1.920 198 H HN 0.643 nan 8.280 nan 0.000 0.535 199 E N 3.445 123.670 120.200 0.043 0.000 2.197 199 E HA 0.193 4.543 4.350 0.000 0.000 0.281 199 E C -1.939 174.701 176.600 0.066 0.000 0.995 199 E CA -2.032 54.367 56.400 -0.001 0.000 0.808 199 E CB 2.032 31.731 29.700 -0.002 0.000 1.093 199 E HN 0.370 nan 8.360 nan 0.000 0.394 200 P HA -0.217 nan 4.420 nan 0.000 0.217 200 P C 0.879 178.201 177.300 0.038 0.000 1.151 200 P CA 1.405 64.539 63.100 0.058 0.000 0.849 200 P CB 0.214 31.926 31.700 0.021 0.000 0.787 201 R N -0.803 119.710 120.500 0.022 0.000 2.090 201 R HA 0.021 4.361 4.340 0.000 0.000 0.228 201 R C 2.329 178.638 176.300 0.014 0.000 1.110 201 R CA 1.253 57.360 56.100 0.013 0.000 0.973 201 R CB -0.976 29.327 30.300 0.005 0.000 0.869 201 R HN 0.148 nan 8.270 nan 0.000 0.440 202 A N 1.556 124.390 122.820 0.023 0.000 1.908 202 A HA -0.144 4.176 4.320 0.000 0.000 0.218 202 A C 2.155 179.745 177.584 0.009 0.000 1.181 202 A CA 1.264 53.313 52.037 0.019 0.000 0.627 202 A CB -0.589 18.431 19.000 0.034 0.000 0.818 202 A HN 0.180 nan 8.150 nan 0.000 0.445 203 L N -1.443 119.789 121.223 0.013 0.000 2.141 203 L HA -0.191 4.149 4.340 0.000 0.000 0.209 203 L C 2.788 179.651 176.870 -0.012 0.000 1.094 203 L CA 1.510 56.339 54.840 -0.018 0.000 0.763 203 L CB -0.518 41.518 42.059 -0.039 0.000 0.908 203 L HN 0.420 nan 8.230 nan 0.000 0.437 204 Q N 0.589 120.389 119.800 0.000 0.000 2.083 204 Q HA -0.093 4.247 4.340 0.000 0.000 0.198 204 Q C 2.198 178.196 176.000 -0.003 0.000 0.969 204 Q CA 1.288 57.092 55.803 0.000 0.000 0.838 204 Q CB -0.152 28.588 28.738 0.005 0.000 0.900 204 Q HN 0.454 nan 8.270 nan 0.000 0.436 205 L N -0.218 121.003 121.223 -0.003 0.000 2.450 205 L HA -0.136 4.204 4.340 0.000 0.000 0.224 205 L C 1.785 178.650 176.870 -0.008 0.000 1.149 205 L CA 0.571 55.407 54.840 -0.006 0.000 0.816 205 L CB -0.288 41.767 42.059 -0.006 0.000 0.932 205 L HN 0.255 nan 8.230 nan 0.000 0.449 206 L N -0.995 120.222 121.223 -0.011 0.000 2.269 206 L HA 0.089 4.430 4.340 0.000 0.000 0.200 206 L C 2.828 179.691 176.870 -0.013 0.000 1.069 206 L CA 0.706 55.537 54.840 -0.014 0.000 0.804 206 L CB -0.475 41.570 42.059 -0.023 0.000 0.987 206 L HN 0.130 nan 8.230 nan 0.000 0.468 207 A N 0.468 123.281 122.820 -0.013 0.000 1.940 207 A HA -0.281 4.039 4.320 0.000 0.000 0.219 207 A C 2.287 179.869 177.584 -0.004 0.000 1.176 207 A CA 2.149 54.181 52.037 -0.008 0.000 0.631 207 A CB -0.496 18.501 19.000 -0.005 0.000 0.814 207 A HN 0.303 nan 8.150 nan 0.000 0.446 208 R N -0.006 120.492 120.500 -0.003 0.000 2.062 208 R HA -0.003 4.337 4.340 0.000 0.000 0.231 208 R C 2.248 178.547 176.300 -0.002 0.000 1.136 208 R CA 1.969 58.068 56.100 -0.002 0.000 0.948 208 R CB -0.932 29.366 30.300 -0.003 0.000 0.845 208 R HN 0.373 nan 8.270 nan 0.000 0.430 209 A N 1.004 123.821 122.820 -0.004 0.000 1.859 209 A HA -0.028 4.292 4.320 0.000 0.000 0.218 209 A C 1.308 178.891 177.584 -0.002 0.000 1.209 209 A CA 1.573 53.607 52.037 -0.004 0.000 0.639 209 A CB -1.501 17.495 19.000 -0.007 0.000 0.835 209 A HN 0.564 nan 8.150 nan 0.000 0.450 210 A N 0.634 123.453 122.820 -0.003 0.000 2.515 210 A HA 0.343 4.664 4.320 0.000 0.000 0.263 210 A C -0.085 177.501 177.584 0.003 0.000 1.096 210 A CA -0.106 51.931 52.037 -0.000 0.000 0.769 210 A CB -0.360 18.639 19.000 -0.002 0.000 1.040 210 A HN 0.546 nan 8.150 nan 0.000 0.505 211 E N 2.061 122.264 120.200 0.005 0.000 1.932 211 E HA 0.366 4.717 4.350 0.000 0.000 0.275 211 E C 1.286 177.892 176.600 0.010 0.000 1.159 211 E CA 0.659 57.064 56.400 0.008 0.000 0.905 211 E CB 0.187 29.892 29.700 0.009 0.000 1.059 211 E HN 1.123 nan 8.360 nan 0.000 0.400 212 G N 3.351 112.157 108.800 0.010 0.000 2.196 212 G HA2 -0.358 3.602 3.960 0.000 0.000 0.268 212 G HA3 -0.358 3.602 3.960 0.000 0.000 0.268 212 G C 0.330 175.237 174.900 0.013 0.000 0.975 212 G CA 0.802 45.909 45.100 0.012 0.000 0.648 212 G HN 0.619 nan 8.290 nan 0.000 0.538 213 S N -0.853 114.853 115.700 0.010 0.000 2.502 213 S HA 0.723 5.194 4.470 0.000 0.000 0.304 213 S C 0.880 175.482 174.600 0.004 0.000 1.097 213 S CA -0.247 57.958 58.200 0.009 0.000 1.045 213 S CB 2.323 65.530 63.200 0.012 0.000 1.019 213 S HN 0.548 nan 8.310 nan 0.000 0.481 214 L N 3.076 124.301 121.223 0.002 0.000 1.994 214 L HA 0.103 4.443 4.340 0.000 0.000 0.208 214 L C 2.808 179.680 176.870 0.005 0.000 1.071 214 L CA 1.782 56.622 54.840 -0.000 0.000 0.745 214 L CB -1.047 41.012 42.059 0.000 0.000 0.892 214 L HN 1.000 nan 8.230 nan 0.000 0.431 215 R N -0.578 119.928 120.500 0.009 0.000 2.165 215 R HA -0.254 4.087 4.340 0.000 0.000 0.254 215 R C 1.818 178.126 176.300 0.012 0.000 1.153 215 R CA 2.287 58.395 56.100 0.014 0.000 0.971 215 R CB -0.338 29.968 30.300 0.011 0.000 0.878 215 R HN 0.475 nan 8.270 nan 0.000 0.449 216 D N -0.590 119.815 120.400 0.008 0.000 2.137 216 D HA -0.029 4.611 4.640 0.000 0.000 0.202 216 D C 1.778 178.078 176.300 0.001 0.000 0.970 216 D CA 1.265 55.269 54.000 0.006 0.000 0.837 216 D CB -0.324 40.480 40.800 0.006 0.000 0.981 216 D HN 0.372 nan 8.370 nan 0.000 0.475 217 A N 1.297 124.115 122.820 -0.004 0.000 1.892 217 A HA -0.187 4.133 4.320 0.000 0.000 0.218 217 A C 2.409 179.983 177.584 -0.017 0.000 1.188 217 A CA 1.200 53.229 52.037 -0.014 0.000 0.631 217 A CB -0.954 18.034 19.000 -0.021 0.000 0.822 217 A HN 0.217 nan 8.150 nan 0.000 0.447 218 L N 0.317 121.533 121.223 -0.011 0.000 2.012 218 L HA -0.226 4.114 4.340 0.000 0.000 0.210 218 L C 2.979 179.852 176.870 0.005 0.000 1.073 218 L CA 1.824 56.661 54.840 -0.006 0.000 0.748 218 L CB -0.715 41.355 42.059 0.020 0.000 0.891 218 L HN 0.587 nan 8.230 nan 0.000 0.431 219 S N -0.277 115.429 115.700 0.009 0.000 2.402 219 S HA -0.102 4.369 4.470 0.000 0.000 0.229 219 S C 1.951 176.554 174.600 0.004 0.000 1.021 219 S CA 0.749 58.956 58.200 0.011 0.000 0.974 219 S CB -0.540 62.667 63.200 0.012 0.000 0.800 219 S HN 0.312 nan 8.310 nan 0.000 0.484 220 L N 1.355 122.577 121.223 -0.001 0.000 2.093 220 L HA -0.074 4.266 4.340 0.000 0.000 0.208 220 L C 2.754 179.619 176.870 -0.008 0.000 1.085 220 L CA 1.466 56.303 54.840 -0.005 0.000 0.755 220 L CB -0.918 41.136 42.059 -0.007 0.000 0.904 220 L HN 0.367 nan 8.230 nan 0.000 0.435 221 T N -1.634 112.911 114.554 -0.015 0.000 2.904 221 T HA -0.158 4.193 4.350 0.000 0.000 0.267 221 T C 1.450 176.143 174.700 -0.010 0.000 1.059 221 T CA 1.017 63.104 62.100 -0.022 0.000 1.137 221 T CB -0.183 68.659 68.868 -0.043 0.000 0.879 221 T HN 0.290 nan 8.240 nan 0.000 0.467 222 D N 1.325 121.724 120.400 -0.001 0.000 2.144 222 D HA -0.071 4.569 4.640 0.000 0.000 0.199 222 D C 2.325 178.629 176.300 0.007 0.000 0.984 222 D CA 1.015 55.021 54.000 0.009 0.000 0.834 222 D CB -0.021 40.789 40.800 0.018 0.000 0.955 222 D HN 0.507 nan 8.370 nan 0.000 0.465 223 Q N 0.266 120.069 119.800 0.004 0.000 2.083 223 Q HA -0.009 4.332 4.340 0.000 0.000 0.198 223 Q C 2.282 178.283 176.000 0.002 0.000 0.969 223 Q CA 0.983 56.789 55.803 0.004 0.000 0.838 223 Q CB -0.035 28.704 28.738 0.002 0.000 0.900 223 Q HN 0.152 nan 8.270 nan 0.000 0.436 224 A N 1.209 124.028 122.820 -0.001 0.000 1.908 224 A HA -0.203 4.117 4.320 0.000 0.000 0.218 224 A C 2.051 179.637 177.584 0.003 0.000 1.181 224 A CA 1.225 53.261 52.037 -0.001 0.000 0.627 224 A CB -0.693 18.305 19.000 -0.005 0.000 0.818 224 A HN 0.288 nan 8.150 nan 0.000 0.445 225 I N -0.318 120.255 120.570 0.004 0.000 2.099 225 I HA -0.306 3.864 4.170 0.000 0.000 0.239 225 I C 2.979 179.101 176.117 0.009 0.000 1.066 225 I CA 1.232 62.537 61.300 0.008 0.000 1.324 225 I CB -0.396 37.611 38.000 0.011 0.000 1.037 225 I HN 0.353 nan 8.210 nan 0.000 0.401 226 A N 0.394 123.219 122.820 0.008 0.000 2.032 226 A HA -0.234 4.086 4.320 0.000 0.000 0.221 226 A C 2.384 179.972 177.584 0.006 0.000 1.165 226 A CA 2.371 54.413 52.037 0.008 0.000 0.645 226 A CB -0.695 18.310 19.000 0.008 0.000 0.807 226 A HN 0.587 nan 8.150 nan 0.000 0.453 227 S N -1.897 113.806 115.700 0.005 0.000 2.470 227 S HA 0.230 4.700 4.470 0.000 0.000 0.222 227 S C 1.663 176.265 174.600 0.003 0.000 1.024 227 S CA 0.721 58.923 58.200 0.003 0.000 0.931 227 S CB -0.296 62.904 63.200 0.001 0.000 0.791 227 S HN 0.610 nan 8.310 nan 0.000 0.513 228 G N 0.814 109.617 108.800 0.005 0.000 3.141 228 G HA2 0.165 4.125 3.960 0.000 0.000 0.218 228 G HA3 0.165 4.125 3.960 0.000 0.000 0.218 228 G C -0.042 174.862 174.900 0.007 0.000 1.170 228 G CA 0.018 45.121 45.100 0.006 0.000 0.769 228 G HN 0.413 nan 8.290 nan 0.000 0.546 229 D N -0.258 120.146 120.400 0.007 0.000 3.003 229 D HA -0.109 4.531 4.640 0.000 0.000 0.223 229 D C 1.511 177.818 176.300 0.011 0.000 1.204 229 D CA 1.694 55.699 54.000 0.008 0.000 0.828 229 D CB -1.194 39.610 40.800 0.007 0.000 0.918 229 D HN 0.853 nan 8.370 nan 0.000 0.401 230 G N 1.630 110.439 108.800 0.014 0.000 2.475 230 G HA2 -0.287 3.674 3.960 0.000 0.000 0.209 230 G HA3 -0.287 3.674 3.960 0.000 0.000 0.209 230 G C 0.308 175.221 174.900 0.022 0.000 1.127 230 G CA 0.378 45.489 45.100 0.018 0.000 0.681 230 G HN 0.611 nan 8.290 nan 0.000 0.517 231 Q N -0.216 119.595 119.800 0.019 0.000 2.193 231 Q HA 0.680 5.020 4.340 0.000 0.000 0.246 231 Q C -0.525 175.490 176.000 0.025 0.000 0.959 231 Q CA -0.644 55.173 55.803 0.023 0.000 0.904 231 Q CB 2.735 31.482 28.738 0.015 0.000 1.238 231 Q HN 0.253 nan 8.270 nan 0.000 0.469 232 V N 1.870 121.807 119.914 0.038 0.000 2.276 232 V HA 0.247 4.367 4.120 0.000 0.000 0.268 232 V C -0.542 175.576 176.094 0.041 0.000 1.032 232 V CA -0.469 61.853 62.300 0.036 0.000 0.810 232 V CB 0.567 32.416 31.823 0.042 0.000 1.060 232 V HN 0.794 nan 8.190 nan 0.000 0.446 233 S N 1.887 117.600 115.700 0.021 0.000 2.593 233 S HA 0.345 4.816 4.470 0.000 0.000 0.297 233 S C 1.123 175.728 174.600 0.008 0.000 1.112 233 S CA -0.149 58.059 58.200 0.013 0.000 1.043 233 S CB 1.788 64.991 63.200 0.005 0.000 1.054 233 S HN 0.484 nan 8.310 nan 0.000 0.516 234 T N 2.529 117.086 114.554 0.005 0.000 2.803 234 T HA -0.166 4.184 4.350 0.000 0.000 0.269 234 T C 1.751 176.448 174.700 -0.004 0.000 1.052 234 T CA 2.013 64.113 62.100 0.001 0.000 1.136 234 T CB -0.391 68.476 68.868 -0.001 0.000 0.864 234 T HN 0.753 nan 8.240 nan 0.000 0.467 235 Q N 0.815 120.613 119.800 -0.004 0.000 2.046 235 Q HA 0.071 4.412 4.340 0.000 0.000 0.200 235 Q C 2.793 178.789 176.000 -0.006 0.000 0.975 235 Q CA 1.376 57.175 55.803 -0.006 0.000 0.836 235 Q CB -0.335 28.400 28.738 -0.006 0.000 0.896 235 Q HN 0.551 nan 8.270 nan 0.000 0.428 236 A N 0.507 123.325 122.820 -0.003 0.000 1.969 236 A HA -0.099 4.221 4.320 0.000 0.000 0.218 236 A C 2.291 179.873 177.584 -0.004 0.000 1.169 236 A CA 1.128 53.163 52.037 -0.002 0.000 0.635 236 A CB -0.465 18.535 19.000 0.001 0.000 0.810 236 A HN 0.209 nan 8.150 nan 0.000 0.445 237 V N 0.724 120.636 119.914 -0.003 0.000 2.719 237 V HA -0.129 3.991 4.120 0.000 0.000 0.252 237 V C 2.556 178.644 176.094 -0.009 0.000 1.065 237 V CA 1.967 64.264 62.300 -0.005 0.000 1.086 237 V CB -0.387 31.434 31.823 -0.003 0.000 0.700 237 V HN 0.765 nan 8.190 nan 0.000 0.467 238 S N 0.180 115.874 115.700 -0.011 0.000 2.593 238 S HA 0.233 4.704 4.470 0.000 0.000 0.217 238 S C 1.736 176.325 174.600 -0.019 0.000 0.966 238 S CA 0.585 58.776 58.200 -0.016 0.000 0.914 238 S CB 0.250 63.439 63.200 -0.017 0.000 0.776 238 S HN 0.463 nan 8.310 nan 0.000 0.523 239 A N 2.189 125.001 122.820 -0.014 0.000 2.021 239 A HA 0.291 4.611 4.320 0.000 0.000 0.216 239 A C 2.117 179.692 177.584 -0.015 0.000 1.163 239 A CA 1.081 53.109 52.037 -0.014 0.000 0.676 239 A CB -0.476 18.519 19.000 -0.009 0.000 0.818 239 A HN 0.757 nan 8.150 nan 0.000 0.453 240 M N -2.458 117.134 119.600 -0.014 0.000 2.379 240 M HA 0.435 4.915 4.480 0.000 0.000 0.268 240 M C -0.248 176.043 176.300 -0.015 0.000 1.185 240 M CA 0.238 55.530 55.300 -0.013 0.000 1.121 240 M CB 0.183 32.778 32.600 -0.009 0.000 1.608 240 M HN -0.049 nan 8.290 nan 0.000 0.569 241 L N 3.078 124.292 121.223 -0.016 0.000 2.259 241 L HA 0.542 4.882 4.340 0.000 0.000 0.288 241 L C 0.491 177.347 176.870 -0.023 0.000 1.051 241 L CA -0.755 54.075 54.840 -0.017 0.000 0.824 241 L CB 0.899 42.950 42.059 -0.013 0.000 1.206 241 L HN 0.309 nan 8.230 nan 0.000 0.429 242 G N 2.684 111.468 108.800 -0.027 0.000 2.178 242 G HA2 0.142 4.103 3.960 0.000 0.000 0.244 242 G HA3 0.142 4.103 3.960 0.000 0.000 0.244 242 G C 0.154 175.032 174.900 -0.035 0.000 1.213 242 G CA -0.143 44.935 45.100 -0.037 0.000 0.912 242 G HN 0.528 nan 8.290 nan 0.000 0.474 243 T N 2.434 116.963 114.554 -0.043 0.000 2.944 243 T HA 0.412 4.762 4.350 0.000 0.000 0.284 243 T C 1.433 176.109 174.700 -0.039 0.000 1.010 243 T CA -0.614 61.464 62.100 -0.036 0.000 1.025 243 T CB 1.860 70.707 68.868 -0.034 0.000 1.079 243 T HN 0.293 nan 8.240 nan 0.000 0.516 244 L N 0.045 121.251 121.223 -0.029 0.000 2.685 244 L HA 0.144 4.484 4.340 0.000 0.000 0.235 244 L C 1.627 178.484 176.870 -0.022 0.000 1.070 244 L CA 0.195 55.020 54.840 -0.025 0.000 0.888 244 L CB 0.115 42.164 42.059 -0.017 0.000 1.203 244 L HN 0.524 nan 8.230 nan 0.000 0.499 245 D N 0.784 121.172 120.400 -0.019 0.000 2.117 245 D HA -0.187 4.453 4.640 0.000 0.000 0.197 245 D C 1.302 177.592 176.300 -0.017 0.000 0.987 245 D CA 1.315 55.306 54.000 -0.015 0.000 0.829 245 D CB -0.109 40.684 40.800 -0.012 0.000 0.961 245 D HN 0.224 nan 8.370 nan 0.000 0.460 246 D N 1.013 121.399 120.400 -0.024 0.000 2.351 246 D HA -0.078 4.562 4.640 0.000 0.000 0.216 246 D C -0.168 176.112 176.300 -0.033 0.000 0.968 246 D CA 0.644 54.627 54.000 -0.028 0.000 0.899 246 D CB -0.261 40.516 40.800 -0.039 0.000 0.907 246 D HN 0.207 nan 8.370 nan 0.000 0.514 247 D N 1.459 121.839 120.400 -0.032 0.000 2.352 247 D HA 0.045 4.685 4.640 0.000 0.000 0.245 247 D C 1.247 177.539 176.300 -0.013 0.000 1.224 247 D CA -0.051 53.930 54.000 -0.031 0.000 0.879 247 D CB 0.929 41.709 40.800 -0.034 0.000 1.057 247 D HN -0.039 nan 8.370 nan 0.000 0.491 248 Q N 1.525 121.323 119.800 -0.005 0.000 2.466 248 Q HA 0.027 4.367 4.340 0.000 0.000 0.210 248 Q C 1.679 177.687 176.000 0.014 0.000 0.961 248 Q CA -0.060 55.749 55.803 0.009 0.000 0.953 248 Q CB 0.033 28.784 28.738 0.022 0.000 1.011 248 Q HN 0.540 nan 8.270 nan 0.000 0.516 249 A N 0.738 123.565 122.820 0.010 0.000 2.067 249 A HA -0.216 4.104 4.320 0.000 0.000 0.224 249 A C 1.929 179.525 177.584 0.021 0.000 1.172 249 A CA 1.677 53.725 52.037 0.018 0.000 0.662 249 A CB -0.245 18.762 19.000 0.012 0.000 0.814 249 A HN 0.381 nan 8.150 nan 0.000 0.468 250 L N -1.275 119.956 121.223 0.014 0.000 2.577 250 L HA 0.137 4.477 4.340 0.000 0.000 0.225 250 L C 2.251 179.126 176.870 0.008 0.000 1.053 250 L CA 1.594 56.442 54.840 0.013 0.000 0.866 250 L CB 0.068 42.134 42.059 0.012 0.000 1.132 250 L HN 0.291 nan 8.230 nan 0.000 0.486 251 S N -1.006 114.699 115.700 0.008 0.000 2.561 251 S HA -0.018 4.452 4.470 0.000 0.000 0.225 251 S C 1.744 176.349 174.600 0.009 0.000 0.977 251 S CA 0.636 58.840 58.200 0.007 0.000 0.926 251 S CB -0.333 62.871 63.200 0.007 0.000 0.769 251 S HN 0.427 nan 8.310 nan 0.000 0.533 252 L N 0.851 122.082 121.223 0.014 0.000 2.168 252 L HA 0.107 4.447 4.340 0.000 0.000 0.203 252 L C 2.212 179.083 176.870 0.000 0.000 1.078 252 L CA 0.574 55.426 54.840 0.020 0.000 0.780 252 L CB -0.084 41.998 42.059 0.038 0.000 0.939 252 L HN 0.185 nan 8.230 nan 0.000 0.451 253 V N -0.096 119.813 119.914 -0.008 0.000 2.358 253 V HA -0.234 3.886 4.120 0.000 0.000 0.246 253 V C 2.291 178.347 176.094 -0.064 0.000 1.047 253 V CA 1.650 63.924 62.300 -0.043 0.000 1.035 253 V CB -0.438 31.372 31.823 -0.022 0.000 0.658 253 V HN 0.440 nan 8.190 nan 0.000 0.452 254 E N 0.598 120.779 120.200 -0.031 0.000 2.023 254 E HA -0.244 4.107 4.350 0.000 0.000 0.196 254 E C 2.376 178.962 176.600 -0.022 0.000 1.003 254 E CA 1.461 57.846 56.400 -0.025 0.000 0.809 254 E CB -0.392 29.303 29.700 -0.007 0.000 0.755 254 E HN 0.563 nan 8.360 nan 0.000 0.449 255 A N 1.601 124.415 122.820 -0.010 0.000 1.986 255 A HA -0.243 4.078 4.320 0.000 0.000 0.220 255 A C 2.106 179.692 177.584 0.002 0.000 1.171 255 A CA 1.687 53.724 52.037 0.000 0.000 0.640 255 A CB -0.573 18.432 19.000 0.009 0.000 0.811 255 A HN 0.292 nan 8.150 nan 0.000 0.451 256 M N -0.101 119.484 119.600 -0.026 0.000 2.062 256 M HA -0.117 4.363 4.480 0.000 0.000 0.259 256 M C 1.852 178.131 176.300 -0.035 0.000 1.076 256 M CA 2.390 57.663 55.300 -0.046 0.000 1.122 256 M CB -0.355 32.168 32.600 -0.129 0.000 1.312 256 M HN 0.199 nan 8.290 nan 0.000 0.412 257 V N 0.985 120.783 119.914 -0.193 0.000 2.867 257 V HA -0.207 3.913 4.120 0.000 0.000 0.260 257 V C 1.721 177.916 176.094 0.168 0.000 1.099 257 V CA 1.728 63.934 62.300 -0.157 0.000 1.122 257 V CB -1.173 30.477 31.823 -0.289 0.000 0.708 257 V HN 0.549 nan 8.190 nan 0.000 0.490 258 E N 0.107 120.353 120.200 0.077 0.000 2.442 258 E HA 0.304 4.655 4.350 0.000 0.000 0.195 258 E C 1.573 178.170 176.600 -0.005 0.000 1.030 258 E CA 0.595 57.019 56.400 0.040 0.000 0.869 258 E CB 0.029 29.736 29.700 0.012 0.000 0.857 258 E HN 0.517 nan 8.360 nan 0.000 0.505 259 A N 1.522 124.353 122.820 0.018 0.000 3.172 259 A HA -0.177 4.143 4.320 0.000 0.000 0.263 259 A C 0.021 177.578 177.584 -0.045 0.000 1.215 259 A CA 0.676 52.664 52.037 -0.081 0.000 1.065 259 A CB -2.037 16.762 19.000 -0.335 0.000 1.148 259 A HN 0.281 nan 8.150 nan 0.000 0.904 260 N N 0.640 119.330 118.700 -0.016 0.000 3.229 260 N HA 0.362 5.103 4.740 0.000 0.000 0.275 260 N C 1.446 176.957 175.510 0.001 0.000 1.225 260 N CA 0.708 53.751 53.050 -0.011 0.000 1.119 260 N CB 0.377 38.859 38.487 -0.009 0.000 1.392 260 N HN 0.613 nan 8.380 nan 0.000 0.520 261 G N 1.397 110.199 108.800 0.003 0.000 2.550 261 G HA2 -0.388 3.572 3.960 0.000 0.000 0.222 261 G HA3 -0.388 3.572 3.960 0.000 0.000 0.222 261 G C 1.424 176.330 174.900 0.011 0.000 1.113 261 G CA 1.232 46.339 45.100 0.012 0.000 0.748 261 G HN 0.493 nan 8.290 nan 0.000 0.585 262 E N 0.724 120.927 120.200 0.005 0.000 2.048 262 E HA -0.231 4.119 4.350 0.000 0.000 0.202 262 E C 2.411 179.018 176.600 0.011 0.000 1.021 262 E CA 1.895 58.299 56.400 0.006 0.000 0.825 262 E CB -0.500 29.201 29.700 0.002 0.000 0.756 262 E HN 0.498 nan 8.360 nan 0.000 0.454 263 R N -0.330 120.176 120.500 0.011 0.000 2.066 263 R HA -0.081 4.259 4.340 0.000 0.000 0.232 263 R C 2.388 178.701 176.300 0.022 0.000 1.131 263 R CA 1.499 57.607 56.100 0.014 0.000 0.955 263 R CB -0.320 29.986 30.300 0.010 0.000 0.851 263 R HN 0.214 nan 8.270 nan 0.000 0.432 264 V N 1.153 121.080 119.914 0.023 0.000 2.380 264 V HA -0.327 3.793 4.120 0.000 0.000 0.251 264 V C 2.393 178.511 176.094 0.041 0.000 1.063 264 V CA 1.673 63.992 62.300 0.032 0.000 1.055 264 V CB -0.384 31.458 31.823 0.031 0.000 0.657 264 V HN 0.375 nan 8.190 nan 0.000 0.455 265 M N -0.412 119.208 119.600 0.033 0.000 2.248 265 M HA 0.085 4.565 4.480 0.000 0.000 0.265 265 M C 2.453 178.780 176.300 0.045 0.000 1.079 265 M CA 1.803 57.124 55.300 0.036 0.000 1.150 265 M CB -1.573 31.040 32.600 0.021 0.000 1.366 265 M HN 0.368 nan 8.290 nan 0.000 0.433 266 A N 0.938 123.779 122.820 0.035 0.000 1.940 266 A HA -0.140 4.180 4.320 0.000 0.000 0.219 266 A C 2.323 179.934 177.584 0.046 0.000 1.176 266 A CA 1.409 53.467 52.037 0.035 0.000 0.631 266 A CB -0.974 18.040 19.000 0.024 0.000 0.814 266 A HN 0.471 nan 8.150 nan 0.000 0.446 267 L N -0.689 120.563 121.223 0.048 0.000 1.994 267 L HA -0.176 4.165 4.340 0.000 0.000 0.208 267 L C 2.521 179.444 176.870 0.088 0.000 1.071 267 L CA 1.426 56.298 54.840 0.055 0.000 0.745 267 L CB -0.670 41.419 42.059 0.050 0.000 0.892 267 L HN 0.347 nan 8.230 nan 0.000 0.431 268 I N 0.328 120.971 120.570 0.123 0.000 2.264 268 I HA -0.307 3.863 4.170 0.000 0.000 0.248 268 I C 2.441 178.705 176.117 0.245 0.000 1.111 268 I CA 1.300 62.734 61.300 0.223 0.000 1.382 268 I CB -0.449 37.661 38.000 0.184 0.000 1.060 268 I HN 0.414 nan 8.210 nan 0.000 0.418 269 N N 1.131 119.917 118.700 0.143 0.000 2.171 269 N HA -0.221 4.519 4.740 0.000 0.000 0.184 269 N C 1.744 177.317 175.510 0.104 0.000 1.021 269 N CA 1.485 54.610 53.050 0.125 0.000 0.854 269 N CB -0.067 38.465 38.487 0.074 0.000 0.994 269 N HN 0.351 nan 8.380 nan 0.000 0.426 270 E N -0.136 120.109 120.200 0.075 0.000 2.038 270 E HA -0.154 4.196 4.350 0.000 0.000 0.195 270 E C 1.796 178.411 176.600 0.026 0.000 1.000 270 E CA 1.343 57.768 56.400 0.042 0.000 0.803 270 E CB -0.229 29.488 29.700 0.030 0.000 0.750 270 E HN 0.430 nan 8.360 nan 0.000 0.448 271 A N 1.123 123.960 122.820 0.029 0.000 1.908 271 A HA -0.182 4.138 4.320 0.000 0.000 0.218 271 A C 2.395 179.914 177.584 -0.109 0.000 1.181 271 A CA 2.051 54.053 52.037 -0.059 0.000 0.627 271 A CB -0.895 18.063 19.000 -0.070 0.000 0.818 271 A HN 0.430 nan 8.150 nan 0.000 0.445 272 A N -0.126 122.731 122.820 0.061 0.000 1.908 272 A HA 0.119 4.439 4.320 0.000 0.000 0.218 272 A C 2.476 180.095 177.584 0.058 0.000 1.181 272 A CA 2.154 54.285 52.037 0.156 0.000 0.627 272 A CB -1.062 18.171 19.000 0.388 0.000 0.818 272 A HN 1.200 nan 8.150 nan 0.000 0.445 273 A N -0.567 122.281 122.820 0.047 0.000 2.076 273 A HA -0.132 4.188 4.320 0.000 0.000 0.220 273 A C 2.085 179.664 177.584 -0.009 0.000 1.160 273 A CA 1.595 53.647 52.037 0.024 0.000 0.653 273 A CB -0.355 18.659 19.000 0.023 0.000 0.801 273 A HN 0.550 nan 8.150 nan 0.000 0.455 274 R N -1.469 119.006 120.500 -0.042 0.000 2.317 274 R HA 0.283 4.623 4.340 0.000 0.000 0.208 274 R C 1.016 177.259 176.300 -0.095 0.000 0.914 274 R CA 0.564 56.624 56.100 -0.066 0.000 1.060 274 R CB 0.088 30.343 30.300 -0.076 0.000 1.015 274 R HN 0.608 nan 8.270 nan 0.000 0.498 275 G N 1.833 110.566 108.800 -0.111 0.000 2.289 275 G HA2 -0.254 3.706 3.960 0.000 0.000 0.280 275 G HA3 -0.254 3.706 3.960 0.000 0.000 0.280 275 G C 0.094 174.857 174.900 -0.229 0.000 1.089 275 G CA -0.267 44.756 45.100 -0.128 0.000 0.939 275 G HN 0.203 nan 8.290 nan 0.000 0.499 276 I N -0.471 119.842 120.570 -0.428 0.000 2.882 276 I HA 0.142 4.312 4.170 0.000 0.000 0.286 276 I C 0.929 176.716 176.117 -0.550 0.000 1.139 276 I CA 0.133 61.112 61.300 -0.535 0.000 1.379 276 I CB 0.556 38.083 38.000 -0.788 0.000 1.410 276 I HN 0.213 nan 8.210 nan 0.000 0.594 277 E N 3.766 123.761 120.200 -0.342 0.000 1.998 277 E HA 0.045 4.395 4.350 0.000 0.000 0.257 277 E C -0.014 176.512 176.600 -0.124 0.000 1.038 277 E CA -0.162 56.132 56.400 -0.177 0.000 0.869 277 E CB 0.361 30.011 29.700 -0.083 0.000 1.135 277 E HN 0.520 nan 8.360 nan 0.000 0.430 278 W N 1.813 123.109 121.300 -0.007 0.000 2.255 278 W HA -0.319 4.341 4.660 0.000 0.000 0.318 278 W C 2.154 178.668 176.519 -0.009 0.000 1.277 278 W CA 1.505 58.846 57.345 -0.007 0.000 1.286 278 W CB -0.064 29.392 29.460 -0.007 0.000 1.132 278 W HN 0.567 nan 8.180 nan 0.000 0.504 279 E N 0.049 120.363 120.200 0.190 0.000 2.152 279 E HA -0.138 4.212 4.350 0.000 0.000 0.192 279 E C 2.259 178.897 176.600 0.063 0.000 0.983 279 E CA 1.122 57.586 56.400 0.106 0.000 0.818 279 E CB -0.260 29.478 29.700 0.063 0.000 0.758 279 E HN 0.190 nan 8.360 nan 0.000 0.467 280 A N 1.090 123.930 122.820 0.034 0.000 1.902 280 A HA -0.157 4.163 4.320 0.000 0.000 0.217 280 A C 2.124 179.718 177.584 0.016 0.000 1.181 280 A CA 1.238 53.281 52.037 0.009 0.000 0.623 280 A CB -0.664 18.324 19.000 -0.020 0.000 0.818 280 A HN 0.402 nan 8.150 nan 0.000 0.443 281 L N -0.391 120.843 121.223 0.019 0.000 2.079 281 L HA -0.085 4.255 4.340 0.000 0.000 0.210 281 L C 2.105 179.013 176.870 0.065 0.000 1.081 281 L CA 1.641 56.502 54.840 0.034 0.000 0.752 281 L CB -0.483 41.606 42.059 0.049 0.000 0.896 281 L HN 0.392 nan 8.230 nan 0.000 0.433 282 L N -1.925 119.346 121.223 0.081 0.000 2.291 282 L HA -0.108 4.232 4.340 0.000 0.000 0.214 282 L C 2.193 179.086 176.870 0.038 0.000 1.120 282 L CA 0.241 55.119 54.840 0.062 0.000 0.799 282 L CB -0.126 41.969 42.059 0.060 0.000 0.925 282 L HN 0.130 nan 8.230 nan 0.000 0.446 283 V N -0.609 119.327 119.914 0.037 0.000 2.407 283 V HA -0.190 3.930 4.120 0.000 0.000 0.245 283 V C 2.241 178.363 176.094 0.046 0.000 1.041 283 V CA 1.386 63.706 62.300 0.033 0.000 1.040 283 V CB -0.234 31.605 31.823 0.026 0.000 0.671 283 V HN 0.406 nan 8.190 nan 0.000 0.455 284 E N -0.228 119.996 120.200 0.039 0.000 2.118 284 E HA -0.229 4.122 4.350 0.000 0.000 0.195 284 E C 2.227 178.861 176.600 0.058 0.000 0.992 284 E CA 1.472 57.897 56.400 0.042 0.000 0.804 284 E CB -0.162 29.554 29.700 0.026 0.000 0.741 284 E HN 0.539 nan 8.360 nan 0.000 0.458 285 M N 0.139 119.774 119.600 0.059 0.000 2.156 285 M HA -0.101 4.380 4.480 0.000 0.000 0.264 285 M C 2.293 178.655 176.300 0.104 0.000 1.067 285 M CA 1.078 56.419 55.300 0.069 0.000 1.131 285 M CB -0.117 32.518 32.600 0.058 0.000 1.368 285 M HN 0.127 nan 8.290 nan 0.000 0.416 286 L N -0.543 120.737 121.223 0.095 0.000 2.217 286 L HA -0.049 4.291 4.340 0.000 0.000 0.211 286 L C 2.435 179.463 176.870 0.263 0.000 1.107 286 L CA 0.869 55.798 54.840 0.149 0.000 0.783 286 L CB -0.731 41.338 42.059 0.017 0.000 0.919 286 L HN 0.384 nan 8.230 nan 0.000 0.442 287 G N -0.844 108.057 108.800 0.170 0.000 2.683 287 G HA2 -0.008 3.952 3.960 0.000 0.000 0.213 287 G HA3 -0.008 3.952 3.960 0.000 0.000 0.213 287 G C 1.541 176.538 174.900 0.161 0.000 1.142 287 G CA -0.028 45.173 45.100 0.168 0.000 0.793 287 G HN 0.167 nan 8.290 nan 0.000 0.534 288 L N -0.437 120.869 121.223 0.138 0.000 2.130 288 L HA 0.240 4.580 4.340 0.000 0.000 0.200 288 L C 2.684 179.624 176.870 0.115 0.000 1.075 288 L CA 0.227 55.128 54.840 0.101 0.000 0.768 288 L CB -0.383 41.720 42.059 0.072 0.000 0.933 288 L HN 0.094 nan 8.230 nan 0.000 0.451 289 L N -0.318 121.004 121.223 0.165 0.000 2.129 289 L HA -0.296 4.044 4.340 0.000 0.000 0.212 289 L C 2.658 179.613 176.870 0.141 0.000 1.087 289 L CA 1.216 56.165 54.840 0.182 0.000 0.757 289 L CB -0.421 41.813 42.059 0.292 0.000 0.896 289 L HN 0.376 nan 8.230 nan 0.000 0.434 290 H N -0.293 118.812 119.070 0.059 0.000 2.389 290 H HA -0.163 4.394 4.556 0.001 0.000 0.299 290 H C 2.364 177.660 175.328 -0.053 0.000 1.081 290 H CA 1.681 57.675 56.048 -0.090 0.000 1.345 290 H CB 0.121 29.848 29.762 -0.059 0.000 1.393 290 H HN 0.075 nan 8.280 nan 0.000 0.520 291 R N -0.265 120.186 120.500 -0.081 0.000 2.115 291 R HA 0.013 4.353 4.340 0.000 0.000 0.226 291 R C 2.077 178.315 176.300 -0.104 0.000 1.100 291 R CA 1.277 57.303 56.100 -0.123 0.000 0.980 291 R CB -0.091 30.197 30.300 -0.021 0.000 0.875 291 R HN 0.385 nan 8.270 nan 0.000 0.445 292 I N 0.305 120.844 120.570 -0.051 0.000 2.546 292 I HA -0.149 4.022 4.170 0.000 0.000 0.255 292 I C 2.268 178.351 176.117 -0.057 0.000 1.163 292 I CA 0.900 62.182 61.300 -0.031 0.000 1.457 292 I CB -0.164 37.842 38.000 0.010 0.000 1.092 292 I HN 0.224 nan 8.210 nan 0.000 0.434 293 A N 0.571 123.328 122.820 -0.104 0.000 1.968 293 A HA -0.113 4.207 4.320 0.000 0.000 0.217 293 A C 2.337 179.830 177.584 -0.152 0.000 1.169 293 A CA 1.214 53.176 52.037 -0.126 0.000 0.638 293 A CB -0.374 18.517 19.000 -0.182 0.000 0.812 293 A HN 0.331 nan 8.150 nan 0.000 0.446 294 M N -0.760 118.718 119.600 -0.202 0.000 2.288 294 M HA -0.042 4.438 4.480 0.000 0.000 0.266 294 M C 1.715 177.957 176.300 -0.097 0.000 1.072 294 M CA 0.863 56.061 55.300 -0.170 0.000 1.132 294 M CB -0.122 32.349 32.600 -0.214 0.000 1.386 294 M HN 0.192 nan 8.290 nan 0.000 0.432 295 V N 0.512 120.380 119.914 -0.076 0.000 3.141 295 V HA -0.186 3.935 4.120 0.000 0.000 0.265 295 V C 1.862 177.935 176.094 -0.036 0.000 1.126 295 V CA 1.311 63.583 62.300 -0.046 0.000 1.141 295 V CB -0.885 30.918 31.823 -0.033 0.000 0.743 295 V HN 0.542 nan 8.190 nan 0.000 0.492 296 Q N -0.897 118.878 119.800 -0.041 0.000 2.424 296 Q HA 0.068 4.408 4.340 0.000 0.000 0.204 296 Q C 1.839 177.821 176.000 -0.030 0.000 0.933 296 Q CA 0.552 56.337 55.803 -0.029 0.000 0.929 296 Q CB 0.235 28.958 28.738 -0.026 0.000 1.037 296 Q HN 0.511 nan 8.270 nan 0.000 0.511 297 L N -0.542 120.658 121.223 -0.039 0.000 2.575 297 L HA 0.192 4.532 4.340 0.000 0.000 0.228 297 L C -0.141 176.712 176.870 -0.029 0.000 1.075 297 L CA 0.582 55.402 54.840 -0.034 0.000 0.867 297 L CB 1.099 43.133 42.059 -0.041 0.000 1.097 297 L HN -0.009 nan 8.230 nan 0.000 0.485 298 S N -1.470 114.211 115.700 -0.032 0.000 2.652 298 S HA 0.455 4.926 4.470 0.000 0.000 0.273 298 S C -2.374 172.211 174.600 -0.026 0.000 1.172 298 S CA -0.689 57.495 58.200 -0.026 0.000 1.009 298 S CB 1.311 64.495 63.200 -0.027 0.000 1.094 298 S HN 0.021 nan 8.310 nan 0.000 0.471 299 P HA 0.079 nan 4.420 nan 0.000 0.234 299 P C 1.023 178.313 177.300 -0.016 0.000 1.167 299 P CA 0.650 63.740 63.100 -0.017 0.000 0.763 299 P CB -0.131 31.562 31.700 -0.012 0.000 0.835 300 A N 0.123 122.933 122.820 -0.017 0.000 2.265 300 A HA 0.351 4.671 4.320 0.000 0.000 0.213 300 A C 1.890 179.464 177.584 -0.017 0.000 1.255 300 A CA 0.534 52.562 52.037 -0.015 0.000 0.862 300 A CB -0.907 18.085 19.000 -0.013 0.000 0.852 300 A HN 0.205 nan 8.150 nan 0.000 0.484 301 A N -0.462 122.344 122.820 -0.022 0.000 2.302 301 A HA 0.461 4.781 4.320 0.000 0.000 0.219 301 A C 0.482 178.054 177.584 -0.019 0.000 1.243 301 A CA 0.007 52.027 52.037 -0.027 0.000 0.856 301 A CB -0.251 18.723 19.000 -0.044 0.000 0.893 301 A HN 0.407 nan 8.150 nan 0.000 0.491 302 L N 1.100 122.315 121.223 -0.013 0.000 2.277 302 L HA 0.383 4.724 4.340 0.000 0.000 0.284 302 L C 1.173 178.040 176.870 -0.005 0.000 1.028 302 L CA -0.789 54.046 54.840 -0.008 0.000 0.835 302 L CB 0.973 43.028 42.059 -0.007 0.000 1.215 302 L HN 0.396 nan 8.230 nan 0.000 0.425 303 G N 2.198 110.996 108.800 -0.003 0.000 2.846 303 G HA2 -0.212 3.748 3.960 0.000 0.000 0.257 303 G HA3 -0.212 3.748 3.960 0.000 0.000 0.257 303 G C 1.001 175.902 174.900 0.001 0.000 1.253 303 G CA 0.076 45.177 45.100 0.000 0.000 0.918 303 G HN 0.877 nan 8.290 nan 0.000 0.597 304 N N -1.218 117.483 118.700 0.002 0.000 2.459 304 N HA -0.059 4.681 4.740 0.000 0.000 0.181 304 N C 0.737 176.249 175.510 0.002 0.000 1.046 304 N CA 1.536 54.587 53.050 0.002 0.000 0.904 304 N CB 0.408 38.897 38.487 0.002 0.000 0.964 304 N HN 0.452 nan 8.380 nan 0.000 0.444 305 D N -1.084 119.318 120.400 0.004 0.000 2.712 305 D HA 0.135 4.775 4.640 0.000 0.000 0.300 305 D C 0.527 176.830 176.300 0.004 0.000 1.521 305 D CA -0.112 53.891 54.000 0.004 0.000 0.790 305 D CB 0.335 41.137 40.800 0.005 0.000 1.155 305 D HN 0.009 nan 8.370 nan 0.000 0.456 306 M N 0.169 119.772 119.600 0.004 0.000 2.595 306 M HA 0.135 4.616 4.480 0.000 0.000 0.248 306 M C 2.124 178.425 176.300 0.003 0.000 1.119 306 M CA 0.209 55.512 55.300 0.004 0.000 1.079 306 M CB -0.815 31.786 32.600 0.002 0.000 1.472 306 M HN 0.068 nan 8.290 nan 0.000 0.501 307 A N 1.125 123.946 122.820 0.002 0.000 1.896 307 A HA -0.200 4.120 4.320 0.000 0.000 0.220 307 A C 2.471 180.056 177.584 0.002 0.000 1.206 307 A CA 2.707 54.746 52.037 0.002 0.000 0.647 307 A CB -1.037 17.964 19.000 0.002 0.000 0.828 307 A HN 0.468 nan 8.150 nan 0.000 0.455 308 A N -0.209 122.613 122.820 0.003 0.000 1.883 308 A HA -0.109 4.211 4.320 0.000 0.000 0.217 308 A C 2.161 179.746 177.584 0.003 0.000 1.186 308 A CA 1.689 53.728 52.037 0.003 0.000 0.624 308 A CB -0.724 18.277 19.000 0.003 0.000 0.822 308 A HN 0.573 nan 8.150 nan 0.000 0.444 309 I N -1.023 119.549 120.570 0.004 0.000 2.142 309 I HA -0.282 3.888 4.170 0.000 0.000 0.240 309 I C 2.116 178.235 176.117 0.004 0.000 1.078 309 I CA 1.573 62.876 61.300 0.004 0.000 1.343 309 I CB -0.959 37.044 38.000 0.006 0.000 1.046 309 I HN 0.439 nan 8.210 nan 0.000 0.405 310 E N 0.511 120.712 120.200 0.003 0.000 2.755 310 E HA -0.392 3.958 4.350 0.000 0.000 0.241 310 E C 1.972 178.573 176.600 0.002 0.000 0.977 310 E CA 2.659 59.060 56.400 0.002 0.000 1.398 310 E CB -0.787 28.914 29.700 0.001 0.000 1.343 310 E HN 0.386 nan 8.360 nan 0.000 0.482 311 L N 0.955 122.179 121.223 0.002 0.000 2.042 311 L HA -0.193 4.147 4.340 0.000 0.000 0.210 311 L C 2.333 179.205 176.870 0.004 0.000 1.076 311 L CA 1.922 56.763 54.840 0.003 0.000 0.749 311 L CB -0.189 41.871 42.059 0.003 0.000 0.893 311 L HN 0.068 nan 8.230 nan 0.000 0.432 312 R N -1.514 118.989 120.500 0.004 0.000 2.081 312 R HA -0.110 4.230 4.340 0.000 0.000 0.235 312 R C 2.179 178.483 176.300 0.006 0.000 1.131 312 R CA 1.691 57.794 56.100 0.005 0.000 0.960 312 R CB -0.385 29.918 30.300 0.005 0.000 0.856 312 R HN 0.355 nan 8.270 nan 0.000 0.436 313 M N 0.155 119.758 119.600 0.006 0.000 2.098 313 M HA -0.064 4.416 4.480 0.000 0.000 0.262 313 M C 2.040 178.343 176.300 0.005 0.000 1.072 313 M CA 1.408 56.712 55.300 0.006 0.000 1.133 313 M CB -0.602 32.001 32.600 0.004 0.000 1.344 313 M HN 0.007 nan 8.290 nan 0.000 0.414 314 R N 0.430 120.932 120.500 0.003 0.000 2.170 314 R HA -0.173 4.167 4.340 0.000 0.000 0.242 314 R C 1.940 178.243 176.300 0.005 0.000 1.145 314 R CA 1.226 57.327 56.100 0.002 0.000 0.984 314 R CB -0.652 29.649 30.300 0.001 0.000 0.869 314 R HN 0.416 nan 8.270 nan 0.000 0.455 315 E N 0.633 120.838 120.200 0.007 0.000 2.076 315 E HA -0.017 4.334 4.350 0.000 0.000 0.190 315 E C 2.048 178.656 176.600 0.014 0.000 0.979 315 E CA 0.735 57.141 56.400 0.010 0.000 0.807 315 E CB -0.126 29.580 29.700 0.009 0.000 0.761 315 E HN 0.197 nan 8.360 nan 0.000 0.454 316 L N -0.047 121.185 121.223 0.014 0.000 2.046 316 L HA -0.110 4.231 4.340 0.000 0.000 0.208 316 L C 2.475 179.359 176.870 0.023 0.000 1.077 316 L CA 1.110 55.962 54.840 0.021 0.000 0.747 316 L CB -0.748 41.322 42.059 0.019 0.000 0.896 316 L HN 0.191 nan 8.230 nan 0.000 0.432 317 A N 1.015 123.844 122.820 0.014 0.000 2.032 317 A HA -0.232 4.088 4.320 0.000 0.000 0.221 317 A C 2.336 179.926 177.584 0.011 0.000 1.165 317 A CA 2.135 54.177 52.037 0.008 0.000 0.645 317 A CB -0.496 18.503 19.000 -0.002 0.000 0.807 317 A HN 0.635 nan 8.150 nan 0.000 0.453 318 R N -1.713 118.795 120.500 0.014 0.000 2.191 318 R HA 0.031 4.371 4.340 0.000 0.000 0.196 318 R C 1.649 177.962 176.300 0.022 0.000 0.991 318 R CA 1.204 57.313 56.100 0.014 0.000 1.075 318 R CB -0.882 29.424 30.300 0.010 0.000 1.040 318 R HN 0.348 nan 8.270 nan 0.000 0.526 319 T N -0.847 113.723 114.554 0.027 0.000 3.129 319 T HA 0.345 4.695 4.350 0.000 0.000 0.251 319 T C 0.672 175.403 174.700 0.052 0.000 1.117 319 T CA -0.104 62.017 62.100 0.035 0.000 1.034 319 T CB -0.171 68.716 68.868 0.032 0.000 0.968 319 T HN 0.122 nan 8.240 nan 0.000 0.526 320 I N 1.977 122.581 120.570 0.056 0.000 2.410 320 I HA 0.394 4.565 4.170 0.000 0.000 0.286 320 I C -2.719 173.440 176.117 0.071 0.000 1.009 320 I CA -2.993 58.358 61.300 0.085 0.000 1.111 320 I CB 2.225 40.289 38.000 0.106 0.000 1.262 320 I HN -0.155 nan 8.210 nan 0.000 0.443 321 P HA 0.032 nan 4.420 nan 0.000 0.266 321 P C -1.848 175.470 177.300 0.031 0.000 1.195 321 P CA -0.851 62.273 63.100 0.040 0.000 0.768 321 P CB 0.156 31.876 31.700 0.034 0.000 0.838 322 P HA -0.162 nan 4.420 nan 0.000 0.220 322 P C 1.016 178.310 177.300 -0.011 0.000 1.148 322 P CA 1.660 64.761 63.100 0.002 0.000 0.803 322 P CB -0.210 31.485 31.700 -0.008 0.000 0.782 323 T N 0.383 114.925 114.554 -0.020 0.000 2.737 323 T HA -0.108 4.242 4.350 0.000 0.000 0.265 323 T C 1.322 175.969 174.700 -0.089 0.000 1.038 323 T CA 1.847 63.922 62.100 -0.042 0.000 1.144 323 T CB -0.838 68.008 68.868 -0.037 0.000 0.866 323 T HN 0.139 nan 8.240 nan 0.000 0.434 324 D N 0.885 121.224 120.400 -0.101 0.000 2.144 324 D HA 0.023 4.664 4.640 0.000 0.000 0.199 324 D C 2.010 178.155 176.300 -0.257 0.000 0.984 324 D CA 0.554 54.403 54.000 -0.253 0.000 0.834 324 D CB -0.380 40.365 40.800 -0.091 0.000 0.955 324 D HN 0.336 nan 8.370 nan 0.000 0.465 325 I N 0.687 121.266 120.570 0.015 0.000 2.226 325 I HA -0.262 3.908 4.170 0.000 0.000 0.245 325 I C 2.270 178.445 176.117 0.096 0.000 1.100 325 I CA 0.942 62.328 61.300 0.144 0.000 1.374 325 I CB -0.031 38.030 38.000 0.101 0.000 1.057 325 I HN -0.030 nan 8.210 nan 0.000 0.413 326 Q N 0.097 119.909 119.800 0.020 0.000 2.084 326 Q HA -0.227 4.113 4.340 0.000 0.000 0.202 326 Q C 2.224 178.245 176.000 0.035 0.000 0.978 326 Q CA 1.476 57.309 55.803 0.049 0.000 0.844 326 Q CB -0.800 27.942 28.738 0.007 0.000 0.898 326 Q HN 0.413 nan 8.270 nan 0.000 0.426 327 L N -0.044 121.103 121.223 -0.127 0.000 2.012 327 L HA -0.220 4.120 4.340 0.000 0.000 0.210 327 L C 2.052 178.819 176.870 -0.172 0.000 1.073 327 L CA 1.765 56.472 54.840 -0.221 0.000 0.748 327 L CB -0.628 41.182 42.059 -0.415 0.000 0.891 327 L HN 0.116 nan 8.230 nan 0.000 0.431 328 Y N -2.172 118.148 120.300 0.034 0.000 2.314 328 Y HA -0.207 4.343 4.550 0.000 0.000 0.293 328 Y C 2.408 178.349 175.900 0.068 0.000 1.129 328 Y CA 1.361 59.477 58.100 0.027 0.000 1.201 328 Y CB -1.232 37.235 38.460 0.012 0.000 0.999 328 Y HN 0.301 nan 8.280 nan 0.000 0.541 329 Y N 1.163 121.539 120.300 0.128 0.000 2.181 329 Y HA -0.274 4.277 4.550 0.001 0.000 0.288 329 Y C 2.116 178.046 175.900 0.051 0.000 1.146 329 Y CA 1.735 59.889 58.100 0.090 0.000 1.164 329 Y CB -0.357 38.152 38.460 0.080 0.000 0.982 329 Y HN 0.161 nan 8.280 nan 0.000 0.515 330 Q N -0.869 118.961 119.800 0.050 0.000 2.046 330 Q HA -0.146 4.194 4.340 0.000 0.000 0.200 330 Q C 2.214 178.160 176.000 -0.091 0.000 0.975 330 Q CA 2.270 58.042 55.803 -0.053 0.000 0.836 330 Q CB -0.401 28.339 28.738 0.004 0.000 0.896 330 Q HN 0.354 nan 8.270 nan 0.000 0.428 331 T N 1.229 115.763 114.554 -0.034 0.000 2.759 331 T HA -0.107 4.243 4.350 0.000 0.000 0.269 331 T C 1.548 176.235 174.700 -0.022 0.000 1.042 331 T CA 0.851 62.943 62.100 -0.014 0.000 1.140 331 T CB -0.038 68.864 68.868 0.057 0.000 0.864 331 T HN 0.099 nan 8.240 nan 0.000 0.455 332 L N 0.650 121.851 121.223 -0.037 0.000 2.240 332 L HA 0.114 4.454 4.340 0.000 0.000 0.211 332 L C 2.293 179.088 176.870 -0.125 0.000 1.106 332 L CA 0.847 55.655 54.840 -0.054 0.000 0.793 332 L CB -1.265 40.774 42.059 -0.033 0.000 0.927 332 L HN 0.283 nan 8.230 nan 0.000 0.446 333 L N 0.316 121.399 121.223 -0.233 0.000 2.005 333 L HA -0.185 4.155 4.340 0.000 0.000 0.207 333 L C 2.491 179.284 176.870 -0.127 0.000 1.072 333 L CA 1.823 56.504 54.840 -0.264 0.000 0.744 333 L CB -0.618 41.208 42.059 -0.389 0.000 0.895 333 L HN 0.138 nan 8.230 nan 0.000 0.433 334 I N -0.079 120.432 120.570 -0.098 0.000 2.163 334 I HA -0.241 3.930 4.170 0.000 0.000 0.243 334 I C 2.486 178.587 176.117 -0.027 0.000 1.085 334 I CA 1.360 62.627 61.300 -0.054 0.000 1.347 334 I CB -0.958 37.009 38.000 -0.055 0.000 1.044 334 I HN 0.360 nan 8.210 nan 0.000 0.408 335 G N 0.371 109.156 108.800 -0.025 0.000 2.498 335 G HA2 -0.251 3.709 3.960 0.000 0.000 0.219 335 G HA3 -0.251 3.709 3.960 0.000 0.000 0.219 335 G C 1.794 176.696 174.900 0.002 0.000 1.119 335 G CA 0.374 45.472 45.100 -0.004 0.000 0.766 335 G HN 0.322 nan 8.290 nan 0.000 0.552 336 R N 0.429 120.922 120.500 -0.012 0.000 2.075 336 R HA 0.060 4.400 4.340 0.000 0.000 0.226 336 R C 2.329 178.636 176.300 0.012 0.000 1.114 336 R CA 1.052 57.151 56.100 -0.002 0.000 0.972 336 R CB -0.191 30.095 30.300 -0.024 0.000 0.869 336 R HN 0.253 nan 8.270 nan 0.000 0.437 337 K N 0.393 120.804 120.400 0.018 0.000 2.097 337 K HA -0.116 4.204 4.320 0.000 0.000 0.205 337 K C 1.885 178.561 176.600 0.126 0.000 1.050 337 K CA 1.602 57.923 56.287 0.057 0.000 0.938 337 K CB 0.005 32.532 32.500 0.045 0.000 0.718 337 K HN 0.330 nan 8.250 nan 0.000 0.442 338 E N 0.922 121.183 120.200 0.101 0.000 2.274 338 E HA -0.152 4.198 4.350 0.000 0.000 0.194 338 E C 1.869 178.554 176.600 0.141 0.000 0.996 338 E CA 0.241 56.730 56.400 0.148 0.000 0.840 338 E CB -0.065 29.676 29.700 0.068 0.000 0.772 338 E HN 0.094 nan 8.360 nan 0.000 0.491 339 L N 2.304 123.563 121.223 0.060 0.000 1.976 339 L HA -0.205 4.136 4.340 0.000 0.000 0.223 339 L C -0.759 176.093 176.870 -0.030 0.000 1.081 339 L CA 2.349 57.196 54.840 0.011 0.000 0.784 339 L CB -1.053 41.010 42.059 0.006 0.000 0.896 339 L HN 0.111 nan 8.230 nan 0.000 0.438 340 P HA -0.195 nan 4.420 nan 0.000 0.228 340 P C 0.910 178.042 177.300 -0.280 0.000 1.151 340 P CA 1.635 64.589 63.100 -0.244 0.000 0.770 340 P CB -0.210 31.253 31.700 -0.394 0.000 0.786 341 Y N -0.214 120.080 120.300 -0.009 0.000 2.478 341 Y HA 0.356 4.906 4.550 0.000 0.000 0.261 341 Y C 1.849 177.739 175.900 -0.017 0.000 1.127 341 Y CA -0.459 57.634 58.100 -0.011 0.000 1.288 341 Y CB -0.283 38.171 38.460 -0.011 0.000 1.084 341 Y HN -0.084 nan 8.280 nan 0.000 0.530 342 A N 2.061 124.941 122.820 0.100 0.000 2.429 342 A HA 0.057 4.377 4.320 0.000 0.000 0.242 342 A C -0.983 176.612 177.584 0.017 0.000 1.088 342 A CA -0.818 51.242 52.037 0.038 0.000 0.784 342 A CB -0.334 18.660 19.000 -0.010 0.000 1.038 342 A HN 0.161 nan 8.150 nan 0.000 0.501 343 P HA -0.011 nan 4.420 nan 0.000 0.223 343 P C -0.243 177.045 177.300 -0.021 0.000 1.151 343 P CA 1.638 64.735 63.100 -0.004 0.000 0.787 343 P CB -0.029 31.665 31.700 -0.010 0.000 0.788 344 D N -1.818 118.554 120.400 -0.046 0.000 2.871 344 D HA 0.133 4.773 4.640 0.000 0.000 0.209 344 D C 1.077 177.299 176.300 -0.130 0.000 1.292 344 D CA -0.658 53.299 54.000 -0.071 0.000 0.869 344 D CB 1.112 41.867 40.800 -0.075 0.000 1.663 344 D HN -0.383 nan 8.370 nan 0.000 0.557 345 R N 2.026 122.451 120.500 -0.124 0.000 2.133 345 R HA -0.180 4.161 4.340 0.000 0.000 0.247 345 R C 1.994 177.979 176.300 -0.526 0.000 1.151 345 R CA 1.471 57.460 56.100 -0.184 0.000 0.971 345 R CB -0.156 30.135 30.300 -0.014 0.000 0.866 345 R HN 0.510 nan 8.270 nan 0.000 0.447 346 R N 0.831 120.868 120.500 -0.770 0.000 2.081 346 R HA -0.104 4.237 4.340 0.000 0.000 0.235 346 R C 2.326 178.202 176.300 -0.707 0.000 1.131 346 R CA 1.541 56.858 56.100 -1.306 0.000 0.960 346 R CB -0.251 29.538 30.300 -0.852 0.000 0.856 346 R HN 0.155 nan 8.270 nan 0.000 0.436 347 M N 0.213 119.579 119.600 -0.390 0.000 2.144 347 M HA -0.131 4.350 4.480 0.000 0.000 0.260 347 M C 1.904 178.089 176.300 -0.192 0.000 1.067 347 M CA 2.198 57.360 55.300 -0.231 0.000 1.095 347 M CB -0.325 32.190 32.600 -0.142 0.000 1.365 347 M HN 0.386 nan 8.290 nan 0.000 0.406 348 G N -0.585 108.096 108.800 -0.197 0.000 2.433 348 G HA2 -0.186 3.774 3.960 0.000 0.000 0.216 348 G HA3 -0.186 3.774 3.960 0.000 0.000 0.216 348 G C 1.291 176.120 174.900 -0.117 0.000 1.186 348 G CA 1.093 46.122 45.100 -0.118 0.000 0.779 348 G HN 0.395 nan 8.290 nan 0.000 0.543 349 V N 1.143 120.945 119.914 -0.187 0.000 2.252 349 V HA -0.251 3.869 4.120 0.000 0.000 0.249 349 V C 2.715 178.748 176.094 -0.102 0.000 1.056 349 V CA 2.406 64.633 62.300 -0.121 0.000 1.022 349 V CB -0.759 30.963 31.823 -0.168 0.000 0.641 349 V HN 0.482 nan 8.190 nan 0.000 0.445 350 E N -0.645 119.449 120.200 -0.177 0.000 2.097 350 E HA -0.266 4.085 4.350 0.000 0.000 0.196 350 E C 2.200 178.770 176.600 -0.050 0.000 1.000 350 E CA 1.475 57.812 56.400 -0.105 0.000 0.804 350 E CB -0.227 29.394 29.700 -0.131 0.000 0.740 350 E HN 0.416 nan 8.360 nan 0.000 0.454 351 M N 0.173 119.741 119.600 -0.054 0.000 2.349 351 M HA -0.056 4.425 4.480 0.000 0.000 0.266 351 M C 2.148 178.456 176.300 0.013 0.000 1.076 351 M CA 1.086 56.377 55.300 -0.016 0.000 1.126 351 M CB -0.411 32.178 32.600 -0.019 0.000 1.392 351 M HN 0.046 nan 8.290 nan 0.000 0.440 352 T N 1.279 115.836 114.554 0.005 0.000 2.746 352 T HA -0.086 4.264 4.350 0.000 0.000 0.267 352 T C 1.892 176.623 174.700 0.051 0.000 1.039 352 T CA 1.076 63.192 62.100 0.027 0.000 1.142 352 T CB -0.158 68.719 68.868 0.015 0.000 0.866 352 T HN 0.301 nan 8.240 nan 0.000 0.444 353 L N 0.226 121.474 121.223 0.042 0.000 2.109 353 L HA 0.094 4.435 4.340 0.000 0.000 0.207 353 L C 2.323 179.236 176.870 0.071 0.000 1.086 353 L CA 0.748 55.622 54.840 0.057 0.000 0.760 353 L CB -0.400 41.685 42.059 0.044 0.000 0.910 353 L HN 0.217 nan 8.230 nan 0.000 0.437 354 L N -0.477 120.778 121.223 0.054 0.000 2.265 354 L HA -0.194 4.147 4.340 0.000 0.000 0.215 354 L C 2.735 179.659 176.870 0.089 0.000 1.117 354 L CA 0.945 55.818 54.840 0.055 0.000 0.782 354 L CB -0.262 41.815 42.059 0.029 0.000 0.914 354 L HN 0.238 nan 8.230 nan 0.000 0.441 355 R N -0.418 120.156 120.500 0.123 0.000 2.100 355 R HA -0.059 4.281 4.340 0.000 0.000 0.220 355 R C 2.344 178.812 176.300 0.279 0.000 1.091 355 R CA 1.068 57.297 56.100 0.216 0.000 0.986 355 R CB -0.111 30.296 30.300 0.177 0.000 0.888 355 R HN 0.294 nan 8.270 nan 0.000 0.444 356 A N 0.795 123.740 122.820 0.208 0.000 1.898 356 A HA -0.128 4.192 4.320 0.000 0.000 0.216 356 A C 1.908 179.655 177.584 0.272 0.000 1.181 356 A CA 0.940 53.124 52.037 0.245 0.000 0.620 356 A CB -0.452 18.661 19.000 0.190 0.000 0.819 356 A HN 0.278 nan 8.150 nan 0.000 0.442 357 L N -0.635 120.713 121.223 0.208 0.000 2.141 357 L HA -0.047 4.293 4.340 0.000 0.000 0.209 357 L C 2.725 179.675 176.870 0.133 0.000 1.094 357 L CA 1.788 56.743 54.840 0.192 0.000 0.763 357 L CB -0.739 41.384 42.059 0.106 0.000 0.908 357 L HN 0.397 nan 8.230 nan 0.000 0.437 358 A N -2.335 120.531 122.820 0.076 0.000 1.984 358 A HA 0.002 4.322 4.320 0.000 0.000 0.214 358 A C 1.419 178.858 177.584 -0.242 0.000 1.173 358 A CA 0.560 52.527 52.037 -0.116 0.000 0.673 358 A CB -0.431 18.442 19.000 -0.212 0.000 0.830 358 A HN 0.322 nan 8.150 nan 0.000 0.453 359 F N -0.173 119.837 119.950 0.100 0.000 2.925 359 F HA 0.256 4.784 4.527 0.000 0.000 0.302 359 F C 0.598 176.469 175.800 0.118 0.000 1.189 359 F CA -0.488 57.561 58.000 0.082 0.000 1.346 359 F CB -0.212 38.812 39.000 0.039 0.000 0.954 359 F HN 0.294 nan 8.300 nan 0.000 0.506 360 H N 0.509 119.692 119.070 0.189 0.000 2.652 360 H HA 0.131 4.688 4.556 0.000 0.000 0.349 360 H C -1.558 173.854 175.328 0.139 0.000 1.099 360 H CA -1.452 54.725 56.048 0.215 0.000 1.417 360 H CB 1.322 31.191 29.762 0.178 0.000 1.457 360 H HN -0.041 nan 8.280 nan 0.000 0.568 361 P HA -0.107 nan 4.420 nan 0.000 0.214 361 P C -0.166 177.284 177.300 0.250 0.000 1.162 361 P CA 1.139 64.385 63.100 0.245 0.000 0.874 361 P CB 0.295 32.095 31.700 0.167 0.000 0.784 362 R N -0.391 120.320 120.500 0.352 0.000 2.540 362 R HA 0.415 4.755 4.340 0.000 0.000 0.287 362 R C -0.111 176.145 176.300 -0.073 0.000 0.980 362 R CA -0.560 55.607 56.100 0.113 0.000 0.966 362 R CB 0.180 30.537 30.300 0.094 0.000 1.106 362 R HN -0.063 nan 8.270 nan 0.000 0.480 363 M N 2.549 122.106 119.600 -0.072 0.000 2.303 363 M HA -0.172 4.308 4.480 0.000 0.000 0.189 363 M C -2.152 174.078 176.300 -0.116 0.000 0.688 363 M CA 0.122 55.354 55.300 -0.114 0.000 0.479 363 M CB -1.201 31.301 32.600 -0.162 0.000 1.094 363 M HN 0.436 nan 8.290 nan 0.000 0.907 364 P HA 0.424 nan 4.420 nan 0.000 0.278 364 P C -0.123 177.150 177.300 -0.044 0.000 1.266 364 P CA -0.671 62.418 63.100 -0.019 0.000 0.807 364 P CB 0.741 32.445 31.700 0.008 0.000 1.094 365 L N 1.435 122.627 121.223 -0.052 0.000 2.573 365 L HA 0.092 4.432 4.340 0.000 0.000 0.290 365 L C -1.258 175.581 176.870 -0.052 0.000 1.247 365 L CA -0.988 53.820 54.840 -0.054 0.000 0.876 365 L CB -0.930 41.092 42.059 -0.062 0.000 1.123 365 L HN 0.375 nan 8.230 nan 0.000 0.505 366 P HA 0.422 nan 4.420 nan 0.000 0.285 366 P C -1.436 175.845 177.300 -0.033 0.000 1.269 366 P CA -0.697 62.383 63.100 -0.034 0.000 0.844 366 P CB 1.564 33.248 31.700 -0.027 0.000 1.094 367 E N 0.822 121.005 120.200 -0.028 0.000 2.321 367 E HA 0.416 4.766 4.350 0.000 0.000 0.281 367 E C -1.996 174.593 176.600 -0.019 0.000 0.910 367 E CA -1.176 55.209 56.400 -0.025 0.000 0.770 367 E CB 0.930 30.613 29.700 -0.029 0.000 1.225 367 E HN 0.506 nan 8.360 nan 0.000 0.417 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 368 P CB 0.000 31.693 31.700 -0.011 0.000 0.726