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 3glg_1_D DATA FIRST_RESID 2 DATA SEQUENCE SYQVLARKWR PQTFADVVGQ EHVLTALANG LSLGRIHHAY LFSGTRGVGK DATA SEQUENCE TSIARLLAKG LNCETGITAT PCGVCDNCRE IEQGRFVDLI EIDAASRTKV DATA SEQUENCE EDTRDLLDNV QYAPARGRFK VYLIDEVHML SRHSFNALLK TLEEPPEHVK DATA SEQUENCE FLLATADPQK LPVTILSRCL QFHLKALDVE QIRHQLEHIL NEEHIAHEPR DATA SEQUENCE ALQLLARAAE GSLRDALSLT DQAIASGDGQ VSTQAVSAML GTLDDDQALS DATA SEQUENCE LVEAMVEANG ERVMALINEA AARGIEWEAL LVEMLGLLHR IAMVQLSPAA DATA SEQUENCE LGNDMAAIEL RMRELARTIP PTDIQLYYQT LLIGRKELPY APDRRMGVEM DATA SEQUENCE TLLRALAFHP RM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.636 174.600 0.060 0.000 1.055 2 S CA 0.000 58.228 58.200 0.047 0.000 1.107 2 S CB 0.000 63.208 63.200 0.013 0.000 0.593 3 Y N 3.110 123.408 120.300 -0.003 0.000 2.550 3 Y HA 0.495 5.046 4.550 0.000 0.000 0.343 3 Y C 0.212 176.114 175.900 0.003 0.000 1.245 3 Y CA 0.960 59.061 58.100 0.001 0.000 1.462 3 Y CB 0.488 38.954 38.460 0.010 0.000 1.340 3 Y HN 0.495 nan 8.280 nan 0.000 0.604 4 Q N 3.245 122.293 119.800 -1.254 0.000 2.386 4 Q HA 0.365 4.705 4.340 0.000 0.000 0.274 4 Q C -1.320 174.028 176.000 -1.087 0.000 1.011 4 Q CA -1.138 54.119 55.803 -0.910 0.000 0.867 4 Q CB 2.333 30.834 28.738 -0.394 0.000 1.409 4 Q HN 0.573 nan 8.270 nan 0.000 0.395 5 V N 3.005 122.610 119.914 -0.514 0.000 2.953 5 V HA -0.193 3.927 4.120 0.000 0.000 0.304 5 V C 1.570 177.636 176.094 -0.047 0.000 1.138 5 V CA 0.609 62.831 62.300 -0.129 0.000 1.266 5 V CB -0.112 31.708 31.823 -0.006 0.000 0.923 5 V HN 0.721 nan 8.190 nan 0.000 0.505 6 L N 4.420 125.705 121.223 0.103 0.000 1.997 6 L HA -0.238 4.102 4.340 0.000 0.000 0.216 6 L C 2.584 179.571 176.870 0.195 0.000 1.074 6 L CA 2.611 57.593 54.840 0.238 0.000 0.763 6 L CB -1.243 40.928 42.059 0.186 0.000 0.890 6 L HN 0.870 nan 8.230 nan 0.000 0.434 7 A N -1.312 121.568 122.820 0.099 0.000 2.117 7 A HA -0.308 4.012 4.320 0.000 0.000 0.224 7 A C 2.523 180.142 177.584 0.059 0.000 1.167 7 A CA 2.477 54.555 52.037 0.068 0.000 0.664 7 A CB -0.562 18.461 19.000 0.039 0.000 0.811 7 A HN 0.469 nan 8.150 nan 0.000 0.470 8 R N -1.824 118.697 120.500 0.034 0.000 2.144 8 R HA 0.130 4.470 4.340 0.000 0.000 0.195 8 R C 2.210 178.486 176.300 -0.040 0.000 1.077 8 R CA 0.635 56.727 56.100 -0.014 0.000 1.120 8 R CB -0.155 30.110 30.300 -0.060 0.000 1.060 8 R HN 0.432 nan 8.270 nan 0.000 0.520 9 K N -0.177 120.175 120.400 -0.081 0.000 2.077 9 K HA -0.197 4.123 4.320 0.000 0.000 0.213 9 K C 0.811 177.276 176.600 -0.223 0.000 1.051 9 K CA 2.063 58.229 56.287 -0.202 0.000 0.929 9 K CB -0.140 32.206 32.500 -0.258 0.000 0.715 9 K HN 0.225 nan 8.250 nan 0.000 0.451 10 W N 1.671 122.948 121.300 -0.040 0.000 3.388 10 W HA 0.171 4.831 4.660 0.000 0.000 0.324 10 W C 0.015 176.516 176.519 -0.030 0.000 1.250 10 W CA -0.698 56.634 57.345 -0.023 0.000 1.809 10 W CB 0.142 29.595 29.460 -0.011 0.000 1.083 10 W HN 0.019 nan 8.180 nan 0.000 0.685 11 R N 2.734 123.290 120.500 0.094 0.000 2.486 11 R HA 0.010 4.350 4.340 0.000 0.000 0.303 11 R C -2.251 174.070 176.300 0.036 0.000 0.958 11 R CA -1.184 54.944 56.100 0.046 0.000 1.077 11 R CB 0.171 30.471 30.300 -0.000 0.000 0.921 11 R HN -0.160 nan 8.270 nan 0.000 0.406 12 P HA -0.031 nan 4.420 nan 0.000 0.264 12 P C -0.554 176.754 177.300 0.013 0.000 1.193 12 P CA 0.106 63.227 63.100 0.035 0.000 0.763 12 P CB 0.915 32.621 31.700 0.010 0.000 0.810 13 Q N 0.451 120.257 119.800 0.011 0.000 2.281 13 Q HA 0.107 4.447 4.340 0.000 0.000 0.215 13 Q C 0.410 176.409 176.000 -0.001 0.000 0.867 13 Q CA 0.727 56.524 55.803 -0.010 0.000 0.940 13 Q CB 0.596 29.312 28.738 -0.036 0.000 1.111 13 Q HN 0.596 nan 8.270 nan 0.000 0.513 14 T N -4.167 110.405 114.554 0.030 0.000 2.909 14 T HA 0.457 4.807 4.350 0.000 0.000 0.299 14 T C 0.813 175.610 174.700 0.162 0.000 1.073 14 T CA -0.715 61.414 62.100 0.048 0.000 0.999 14 T CB 0.547 69.419 68.868 0.006 0.000 1.098 14 T HN -0.031 nan 8.240 nan 0.000 0.477 15 F N 1.112 121.019 119.950 -0.072 0.000 2.085 15 F HA -0.217 4.310 4.527 0.000 0.000 0.299 15 F C 3.056 178.818 175.800 -0.063 0.000 1.096 15 F CA 1.134 59.086 58.000 -0.079 0.000 1.227 15 F CB -0.462 38.490 39.000 -0.080 0.000 0.983 15 F HN 0.818 nan 8.300 nan 0.000 0.482 16 A N -0.596 122.318 122.820 0.157 0.000 2.042 16 A HA -0.267 4.053 4.320 0.000 0.000 0.222 16 A C 1.472 179.076 177.584 0.034 0.000 1.167 16 A CA 2.284 54.364 52.037 0.071 0.000 0.649 16 A CB -0.601 18.428 19.000 0.047 0.000 0.809 16 A HN 0.324 nan 8.150 nan 0.000 0.457 17 D N -1.150 119.273 120.400 0.037 0.000 2.340 17 D HA 0.222 4.863 4.640 0.000 0.000 0.217 17 D C -0.109 176.183 176.300 -0.013 0.000 1.081 17 D CA 0.094 54.102 54.000 0.014 0.000 0.842 17 D CB 0.360 41.188 40.800 0.046 0.000 0.934 17 D HN 0.156 nan 8.370 nan 0.000 0.511 18 V N 1.246 121.142 119.914 -0.030 0.000 2.509 18 V HA 0.180 4.300 4.120 0.000 0.000 0.284 18 V C 0.490 176.537 176.094 -0.079 0.000 1.047 18 V CA -0.676 61.580 62.300 -0.074 0.000 0.952 18 V CB 2.126 33.863 31.823 -0.143 0.000 0.988 18 V HN -0.209 nan 8.190 nan 0.000 0.469 19 V N 5.076 124.944 119.914 -0.077 0.000 2.432 19 V HA 0.686 4.806 4.120 0.000 0.000 0.275 19 V C 1.069 177.121 176.094 -0.070 0.000 1.043 19 V CA 0.697 62.958 62.300 -0.064 0.000 0.925 19 V CB 0.289 32.080 31.823 -0.053 0.000 0.985 19 V HN 1.279 nan 8.190 nan 0.000 0.466 20 G N 3.953 112.719 108.800 -0.057 0.000 2.581 20 G HA2 -0.270 3.690 3.960 0.000 0.000 0.291 20 G HA3 -0.270 3.690 3.960 0.000 0.000 0.291 20 G C 0.169 175.017 174.900 -0.087 0.000 1.277 20 G CA 0.340 45.411 45.100 -0.049 0.000 0.959 20 G HN 1.042 nan 8.290 nan 0.000 0.554 21 Q N -1.274 118.486 119.800 -0.066 0.000 2.480 21 Q HA -0.208 4.132 4.340 0.000 0.000 0.265 21 Q C 1.330 177.167 176.000 -0.272 0.000 1.072 21 Q CA 2.010 57.700 55.803 -0.188 0.000 1.018 21 Q CB -1.936 26.651 28.738 -0.251 0.000 1.433 21 Q HN 0.984 nan 8.270 nan 0.000 0.513 22 E N -0.197 119.957 120.200 -0.075 0.000 2.265 22 E HA -0.185 4.165 4.350 0.000 0.000 0.196 22 E C 1.713 178.272 176.600 -0.067 0.000 0.996 22 E CA 1.235 57.592 56.400 -0.072 0.000 0.832 22 E CB -0.176 29.518 29.700 -0.010 0.000 0.756 22 E HN 0.752 nan 8.360 nan 0.000 0.491 23 H N -0.352 118.685 119.070 -0.056 0.000 2.428 23 H HA 0.021 4.578 4.556 0.000 0.000 0.296 23 H C 2.039 177.317 175.328 -0.083 0.000 1.062 23 H CA 0.847 56.876 56.048 -0.031 0.000 1.350 23 H CB -0.540 29.234 29.762 0.019 0.000 1.403 23 H HN 0.021 nan 8.280 nan 0.000 0.533 24 V N 2.005 121.521 119.914 -0.662 0.000 2.302 24 V HA -0.170 3.950 4.120 0.000 0.000 0.243 24 V C 3.101 178.872 176.094 -0.538 0.000 1.036 24 V CA 1.065 62.969 62.300 -0.659 0.000 1.020 24 V CB -0.612 30.839 31.823 -0.621 0.000 0.657 24 V HN 0.238 nan 8.190 nan 0.000 0.453 25 L N -0.069 120.875 121.223 -0.465 0.000 2.129 25 L HA -0.218 4.122 4.340 0.000 0.000 0.212 25 L C 2.558 179.293 176.870 -0.226 0.000 1.087 25 L CA 1.960 56.533 54.840 -0.445 0.000 0.757 25 L CB -1.118 40.699 42.059 -0.404 0.000 0.896 25 L HN 0.410 nan 8.230 nan 0.000 0.434 26 T N -0.123 114.340 114.554 -0.151 0.000 2.732 26 T HA -0.075 4.275 4.350 0.000 0.000 0.261 26 T C 1.982 176.676 174.700 -0.010 0.000 1.040 26 T CA 1.309 63.383 62.100 -0.043 0.000 1.145 26 T CB -0.097 68.768 68.868 -0.006 0.000 0.866 26 T HN 0.442 nan 8.240 nan 0.000 0.427 27 A N 0.949 123.751 122.820 -0.031 0.000 2.019 27 A HA 0.068 4.388 4.320 0.000 0.000 0.219 27 A C 2.274 179.904 177.584 0.077 0.000 1.164 27 A CA 0.967 53.039 52.037 0.059 0.000 0.644 27 A CB -0.661 18.434 19.000 0.160 0.000 0.805 27 A HN 0.426 nan 8.150 nan 0.000 0.449 28 L N -1.079 120.117 121.223 -0.046 0.000 2.007 28 L HA -0.138 4.202 4.340 0.000 0.000 0.205 28 L C 3.142 180.099 176.870 0.145 0.000 1.073 28 L CA 1.333 56.201 54.840 0.047 0.000 0.744 28 L CB -0.882 41.134 42.059 -0.073 0.000 0.898 28 L HN 0.441 nan 8.230 nan 0.000 0.435 29 A N 0.023 122.946 122.820 0.172 0.000 1.940 29 A HA -0.254 4.066 4.320 0.000 0.000 0.219 29 A C 1.994 179.643 177.584 0.109 0.000 1.176 29 A CA 2.167 54.314 52.037 0.184 0.000 0.631 29 A CB -0.642 18.473 19.000 0.193 0.000 0.814 29 A HN 0.431 nan 8.150 nan 0.000 0.446 30 N N -0.201 118.556 118.700 0.096 0.000 2.106 30 N HA -0.046 4.694 4.740 0.000 0.000 0.188 30 N C 1.807 177.376 175.510 0.099 0.000 1.029 30 N CA 1.595 54.696 53.050 0.086 0.000 0.848 30 N CB -0.568 37.967 38.487 0.079 0.000 1.007 30 N HN 0.371 nan 8.380 nan 0.000 0.423 31 G N 0.429 109.308 108.800 0.131 0.000 2.403 31 G HA2 -0.118 3.843 3.960 0.000 0.000 0.216 31 G HA3 -0.118 3.843 3.960 0.000 0.000 0.216 31 G C 1.585 176.565 174.900 0.134 0.000 1.154 31 G CA 0.340 45.529 45.100 0.149 0.000 0.784 31 G HN 0.250 nan 8.290 nan 0.000 0.538 32 L N 0.741 122.038 121.223 0.124 0.000 2.042 32 L HA -0.125 4.215 4.340 0.000 0.000 0.210 32 L C 3.164 180.078 176.870 0.073 0.000 1.076 32 L CA 1.343 56.237 54.840 0.090 0.000 0.749 32 L CB -0.364 41.729 42.059 0.057 0.000 0.893 32 L HN 0.182 nan 8.230 nan 0.000 0.432 33 S N -0.245 115.495 115.700 0.067 0.000 2.357 33 S HA -0.042 4.429 4.470 0.000 0.000 0.221 33 S C 1.920 176.555 174.600 0.058 0.000 1.031 33 S CA 0.867 59.099 58.200 0.053 0.000 0.982 33 S CB -0.229 62.998 63.200 0.045 0.000 0.853 33 S HN 0.271 nan 8.310 nan 0.000 0.458 34 L N 0.760 122.023 121.223 0.066 0.000 2.261 34 L HA -0.073 4.267 4.340 0.000 0.000 0.216 34 L C 1.875 178.786 176.870 0.068 0.000 1.114 34 L CA 0.937 55.816 54.840 0.064 0.000 0.777 34 L CB -0.745 41.356 42.059 0.070 0.000 0.910 34 L HN 0.600 nan 8.230 nan 0.000 0.440 35 G N -0.354 108.495 108.800 0.081 0.000 2.157 35 G HA2 -0.265 3.695 3.960 0.000 0.000 0.239 35 G HA3 -0.265 3.695 3.960 0.000 0.000 0.239 35 G C 0.406 175.367 174.900 0.100 0.000 0.982 35 G CA -0.343 44.810 45.100 0.089 0.000 0.650 35 G HN 0.337 nan 8.290 nan 0.000 0.527 36 R N 0.641 121.204 120.500 0.105 0.000 3.657 36 R HA 0.353 4.693 4.340 0.000 0.000 0.220 36 R C 0.263 176.654 176.300 0.152 0.000 1.548 36 R CA -0.125 56.041 56.100 0.111 0.000 1.465 36 R CB -0.100 30.259 30.300 0.097 0.000 1.330 36 R HN 0.402 nan 8.270 nan 0.000 0.707 37 I N 1.541 122.206 120.570 0.158 0.000 2.304 37 I HA 0.122 4.292 4.170 0.000 0.000 0.291 37 I C 0.816 177.046 176.117 0.189 0.000 1.018 37 I CA -0.668 60.765 61.300 0.220 0.000 1.260 37 I CB 0.605 38.697 38.000 0.153 0.000 1.390 37 I HN 0.349 nan 8.210 nan 0.000 0.475 38 H N 5.931 125.044 119.070 0.073 0.000 2.598 38 H HA 0.127 4.683 4.556 0.000 0.000 0.371 38 H C 1.177 176.486 175.328 -0.031 0.000 1.468 38 H CA 0.398 56.311 56.048 -0.226 0.000 1.454 38 H CB 0.709 30.029 29.762 -0.735 0.000 1.579 38 H HN 0.604 nan 8.280 nan 0.000 0.611 39 H N -0.664 118.357 119.070 -0.081 0.000 2.874 39 H HA 0.431 4.987 4.556 0.000 0.000 0.264 39 H C -0.559 174.965 175.328 0.325 0.000 1.007 39 H CA 0.341 56.458 56.048 0.114 0.000 1.207 39 H CB 0.595 30.369 29.762 0.019 0.000 1.487 39 H HN 0.388 nan 8.280 nan 0.000 0.505 40 A N 1.314 124.385 122.820 0.419 0.000 2.855 40 A HA 0.406 4.726 4.320 0.000 0.000 0.313 40 A C -1.801 175.805 177.584 0.037 0.000 1.173 40 A CA -0.587 51.669 52.037 0.367 0.000 0.753 40 A CB -0.037 19.173 19.000 0.349 0.000 1.200 40 A HN 0.198 nan 8.150 nan 0.000 0.442 41 Y N 1.020 121.328 120.300 0.014 0.000 2.304 41 Y HA 0.536 5.086 4.550 0.000 0.000 0.328 41 Y C 0.141 175.862 175.900 -0.298 0.000 1.123 41 Y CA -0.649 57.303 58.100 -0.246 0.000 1.218 41 Y CB 1.433 39.773 38.460 -0.200 0.000 1.207 41 Y HN 0.599 nan 8.280 nan 0.000 0.495 42 L N 4.321 125.346 121.223 -0.329 0.000 2.341 42 L HA 0.661 5.001 4.340 0.000 0.000 0.278 42 L C -1.902 174.791 176.870 -0.294 0.000 1.005 42 L CA -0.858 53.867 54.840 -0.192 0.000 0.818 42 L CB 0.581 42.566 42.059 -0.124 0.000 1.259 42 L HN 0.361 nan 8.230 nan 0.000 0.418 43 F N 3.657 123.713 119.950 0.176 0.000 2.427 43 F HA 0.691 5.218 4.527 0.000 0.000 0.348 43 F C 0.313 176.196 175.800 0.138 0.000 1.125 43 F CA -0.244 57.864 58.000 0.179 0.000 0.989 43 F CB 1.941 41.027 39.000 0.143 0.000 1.165 43 F HN 0.629 nan 8.300 nan 0.000 0.442 44 S N 1.587 117.468 115.700 0.302 0.000 2.671 44 S HA 1.042 5.512 4.470 0.000 0.000 0.299 44 S C -0.330 174.310 174.600 0.067 0.000 1.116 44 S CA -0.527 57.809 58.200 0.227 0.000 0.912 44 S CB 2.215 65.583 63.200 0.280 0.000 1.130 44 S HN 1.288 nan 8.310 nan 0.000 0.501 45 G N 0.336 109.151 108.800 0.026 0.000 2.352 45 G HA2 0.405 4.365 3.960 0.000 0.000 0.302 45 G HA3 0.405 4.365 3.960 0.000 0.000 0.302 45 G C -0.537 174.361 174.900 -0.003 0.000 1.370 45 G CA -0.279 44.744 45.100 -0.128 0.000 0.918 45 G HN 1.240 nan 8.290 nan 0.000 0.610 46 T N -0.513 114.034 114.554 -0.011 0.000 2.726 46 T HA 0.516 4.866 4.350 0.000 0.000 0.294 46 T C 1.070 175.779 174.700 0.015 0.000 1.013 46 T CA -0.179 61.932 62.100 0.018 0.000 0.996 46 T CB 0.626 69.504 68.868 0.018 0.000 1.016 46 T HN 1.099 nan 8.240 nan 0.000 0.529 47 R N 0.316 120.829 120.500 0.022 0.000 2.583 47 R HA 0.201 4.541 4.340 0.000 0.000 0.274 47 R C 0.853 177.161 176.300 0.013 0.000 0.998 47 R CA 0.729 56.844 56.100 0.025 0.000 1.081 47 R CB -1.168 29.148 30.300 0.027 0.000 0.940 47 R HN 1.431 nan 8.270 nan 0.000 0.413 48 G N 2.131 110.938 108.800 0.011 0.000 2.246 48 G HA2 -0.229 3.731 3.960 0.000 0.000 0.273 48 G HA3 -0.229 3.731 3.960 0.000 0.000 0.273 48 G C 0.107 174.999 174.900 -0.014 0.000 1.055 48 G CA 0.104 45.204 45.100 0.000 0.000 0.851 48 G HN 0.570 nan 8.290 nan 0.000 0.500 49 V N -1.399 118.501 119.914 -0.024 0.000 3.380 49 V HA 0.623 4.743 4.120 0.000 0.000 0.307 49 V C 1.824 177.879 176.094 -0.064 0.000 1.434 49 V CA 0.588 62.864 62.300 -0.040 0.000 1.075 49 V CB 0.095 31.893 31.823 -0.041 0.000 0.954 49 V HN 1.937 nan 8.190 nan 0.000 0.444 50 G N 0.759 109.519 108.800 -0.068 0.000 2.168 50 G HA2 -0.215 3.745 3.960 0.000 0.000 0.197 50 G HA3 -0.215 3.745 3.960 0.000 0.000 0.197 50 G C 0.813 175.622 174.900 -0.151 0.000 0.997 50 G CA 0.336 45.370 45.100 -0.110 0.000 0.658 50 G HN 0.369 nan 8.290 nan 0.000 0.513 51 K N -0.066 120.278 120.400 -0.093 0.000 1.988 51 K HA -0.152 4.168 4.320 0.000 0.000 0.221 51 K C 2.828 179.334 176.600 -0.156 0.000 1.053 51 K CA 2.456 58.695 56.287 -0.080 0.000 0.959 51 K CB -0.336 32.188 32.500 0.040 0.000 0.728 51 K HN 0.544 nan 8.250 nan 0.000 0.447 52 T N -1.796 112.711 114.554 -0.079 0.000 3.081 52 T HA 0.075 4.425 4.350 0.000 0.000 0.255 52 T C 1.894 176.528 174.700 -0.109 0.000 1.113 52 T CA 0.865 62.921 62.100 -0.073 0.000 1.082 52 T CB 0.161 69.028 68.868 -0.001 0.000 0.939 52 T HN -0.025 nan 8.240 nan 0.000 0.506 53 S N 1.176 116.805 115.700 -0.117 0.000 2.368 53 S HA 0.123 4.593 4.470 0.000 0.000 0.224 53 S C 1.828 176.325 174.600 -0.171 0.000 1.029 53 S CA 1.127 59.259 58.200 -0.113 0.000 0.988 53 S CB -0.362 62.785 63.200 -0.089 0.000 0.838 53 S HN 0.525 nan 8.310 nan 0.000 0.462 54 I N 1.468 121.862 120.570 -0.293 0.000 2.252 54 I HA -0.175 3.995 4.170 0.000 0.000 0.245 54 I C 2.706 178.540 176.117 -0.471 0.000 1.102 54 I CA 0.928 61.966 61.300 -0.437 0.000 1.385 54 I CB -0.602 37.013 38.000 -0.643 0.000 1.064 54 I HN 0.256 nan 8.210 nan 0.000 0.414 55 A N 1.340 123.847 122.820 -0.521 0.000 1.873 55 A HA -0.241 4.079 4.320 0.000 0.000 0.218 55 A C 2.384 179.891 177.584 -0.129 0.000 1.193 55 A CA 1.654 53.512 52.037 -0.298 0.000 0.629 55 A CB -0.670 18.276 19.000 -0.089 0.000 0.826 55 A HN 0.324 nan 8.150 nan 0.000 0.447 56 R N -0.636 119.800 120.500 -0.106 0.000 2.127 56 R HA -0.070 4.270 4.340 0.000 0.000 0.238 56 R C 2.071 178.335 176.300 -0.060 0.000 1.134 56 R CA 1.304 57.363 56.100 -0.069 0.000 0.975 56 R CB -0.615 29.651 30.300 -0.056 0.000 0.865 56 R HN 0.543 nan 8.270 nan 0.000 0.447 57 L N 0.386 121.590 121.223 -0.032 0.000 2.072 57 L HA -0.166 4.174 4.340 0.000 0.000 0.205 57 L C 2.449 179.389 176.870 0.115 0.000 1.079 57 L CA 0.591 55.487 54.840 0.094 0.000 0.752 57 L CB -0.414 41.817 42.059 0.287 0.000 0.906 57 L HN 0.149 nan 8.230 nan 0.000 0.436 58 L N 0.386 121.668 121.223 0.099 0.000 2.042 58 L HA -0.181 4.159 4.340 0.000 0.000 0.210 58 L C 2.607 179.435 176.870 -0.069 0.000 1.076 58 L CA 2.074 56.939 54.840 0.042 0.000 0.749 58 L CB -0.755 41.285 42.059 -0.031 0.000 0.893 58 L HN 0.155 nan 8.230 nan 0.000 0.432 59 A N -0.657 122.114 122.820 -0.081 0.000 1.902 59 A HA -0.250 4.070 4.320 0.000 0.000 0.217 59 A C 2.328 179.807 177.584 -0.175 0.000 1.181 59 A CA 2.021 53.986 52.037 -0.120 0.000 0.623 59 A CB -0.515 18.420 19.000 -0.107 0.000 0.818 59 A HN 0.523 nan 8.150 nan 0.000 0.443 60 K N -0.720 119.573 120.400 -0.179 0.000 2.057 60 K HA -0.084 4.236 4.320 0.000 0.000 0.207 60 K C 2.077 178.564 176.600 -0.189 0.000 1.049 60 K CA 1.125 57.283 56.287 -0.216 0.000 0.931 60 K CB -0.470 31.921 32.500 -0.181 0.000 0.714 60 K HN 0.468 nan 8.250 nan 0.000 0.440 61 G N 0.977 109.663 108.800 -0.189 0.000 2.432 61 G HA2 -0.213 3.747 3.960 0.000 0.000 0.219 61 G HA3 -0.213 3.747 3.960 0.000 0.000 0.219 61 G C 1.418 176.255 174.900 -0.106 0.000 1.135 61 G CA 0.661 45.641 45.100 -0.199 0.000 0.767 61 G HN 0.101 nan 8.290 nan 0.000 0.550 62 L N -0.026 121.150 121.223 -0.079 0.000 2.131 62 L HA 0.123 4.463 4.340 0.000 0.000 0.206 62 L C 2.125 179.075 176.870 0.132 0.000 1.087 62 L CA 0.616 55.469 54.840 0.023 0.000 0.767 62 L CB -0.096 41.912 42.059 -0.085 0.000 0.917 62 L HN 0.050 nan 8.230 nan 0.000 0.441 63 N N -1.149 117.558 118.700 0.013 0.000 2.299 63 N HA 0.011 4.751 4.740 0.000 0.000 0.187 63 N C 0.271 175.769 175.510 -0.021 0.000 1.099 63 N CA -0.037 53.023 53.050 0.016 0.000 0.867 63 N CB -0.099 38.313 38.487 -0.126 0.000 0.974 63 N HN 0.186 nan 8.380 nan 0.000 0.477 64 C N 1.791 121.058 119.300 -0.055 0.000 2.538 64 C HA -0.009 4.452 4.460 0.000 0.000 0.408 64 C C 1.973 176.953 174.990 -0.016 0.000 1.421 64 C CA -0.158 58.826 59.018 -0.057 0.000 1.642 64 C CB -0.308 27.385 27.740 -0.078 0.000 2.553 64 C HN 0.482 nan 8.230 nan 0.000 0.604 65 E N 1.557 121.753 120.200 -0.007 0.000 2.209 65 E HA -0.194 4.156 4.350 0.000 0.000 0.196 65 E C 2.128 178.727 176.600 -0.002 0.000 0.993 65 E CA 1.891 58.296 56.400 0.008 0.000 0.819 65 E CB 0.066 29.775 29.700 0.015 0.000 0.745 65 E HN 1.014 nan 8.360 nan 0.000 0.477 66 T N -2.261 112.285 114.554 -0.014 0.000 2.951 66 T HA 0.122 4.472 4.350 0.000 0.000 0.268 66 T C 0.827 175.521 174.700 -0.011 0.000 1.073 66 T CA 0.709 62.800 62.100 -0.015 0.000 1.134 66 T CB 0.412 69.265 68.868 -0.026 0.000 0.884 66 T HN 0.231 nan 8.240 nan 0.000 0.479 67 G N 0.243 109.038 108.800 -0.008 0.000 2.353 67 G HA2 0.297 4.257 3.960 0.000 0.000 0.308 67 G HA3 0.297 4.257 3.960 0.000 0.000 0.308 67 G C -1.239 173.667 174.900 0.011 0.000 1.418 67 G CA -0.881 44.221 45.100 0.004 0.000 0.966 67 G HN 0.399 nan 8.290 nan 0.000 0.638 68 I N 1.532 122.127 120.570 0.041 0.000 2.671 68 I HA 0.268 4.438 4.170 0.000 0.000 0.285 68 I C 0.913 177.034 176.117 0.007 0.000 1.148 68 I CA 0.646 61.981 61.300 0.057 0.000 1.386 68 I CB 0.536 38.608 38.000 0.119 0.000 1.406 68 I HN 0.479 nan 8.210 nan 0.000 0.540 69 T N 4.172 118.701 114.554 -0.043 0.000 2.916 69 T HA 0.632 4.983 4.350 0.000 0.000 0.292 69 T C 0.528 175.137 174.700 -0.152 0.000 1.064 69 T CA -0.155 61.895 62.100 -0.084 0.000 1.011 69 T CB 1.892 70.696 68.868 -0.106 0.000 1.152 69 T HN 0.613 nan 8.240 nan 0.000 0.510 70 A N 1.011 123.732 122.820 -0.164 0.000 2.303 70 A HA 0.325 4.645 4.320 0.000 0.000 0.217 70 A C 0.981 178.271 177.584 -0.489 0.000 1.205 70 A CA 0.641 52.526 52.037 -0.253 0.000 0.875 70 A CB -0.023 18.951 19.000 -0.043 0.000 0.910 70 A HN 0.863 nan 8.150 nan 0.000 0.501 71 T N -0.870 113.484 114.554 -0.333 0.000 3.504 71 T HA 0.504 4.854 4.350 0.000 0.000 0.286 71 T C -3.149 171.406 174.700 -0.240 0.000 1.530 71 T CA -1.725 60.206 62.100 -0.282 0.000 1.652 71 T CB 0.505 69.295 68.868 -0.130 0.000 0.895 71 T HN -0.016 nan 8.240 nan 0.000 0.674 72 P HA 0.201 nan 4.420 nan 0.000 0.271 72 P C 1.605 178.818 177.300 -0.146 0.000 1.220 72 P CA -0.710 62.259 63.100 -0.218 0.000 0.768 72 P CB 0.558 32.103 31.700 -0.259 0.000 0.848 73 C N 1.859 121.097 119.300 -0.104 0.000 2.413 73 C HA 0.073 4.533 4.460 0.000 0.000 0.277 73 C C 1.816 176.767 174.990 -0.065 0.000 1.228 73 C CA 1.127 60.102 59.018 -0.072 0.000 1.731 73 C CB -1.897 25.811 27.740 -0.053 0.000 2.042 73 C HN 0.789 nan 8.230 nan 0.000 0.468 74 G N -0.458 108.300 108.800 -0.069 0.000 2.137 74 G HA2 -0.143 3.817 3.960 0.000 0.000 0.237 74 G HA3 -0.143 3.817 3.960 0.000 0.000 0.237 74 G C 0.258 175.133 174.900 -0.041 0.000 1.002 74 G CA 0.363 45.428 45.100 -0.058 0.000 0.702 74 G HN 1.345 nan 8.290 nan 0.000 0.515 75 V N -0.662 119.231 119.914 -0.035 0.000 3.415 75 V HA 0.197 4.317 4.120 0.000 0.000 0.315 75 V C 1.184 177.269 176.094 -0.015 0.000 1.516 75 V CA 0.079 62.365 62.300 -0.023 0.000 1.122 75 V CB -0.186 31.624 31.823 -0.022 0.000 0.988 75 V HN 1.077 nan 8.190 nan 0.000 0.474 76 C N -1.967 117.324 119.300 -0.015 0.000 2.399 76 C HA 0.591 5.051 4.460 0.000 0.000 0.348 76 C C 1.691 176.691 174.990 0.017 0.000 1.183 76 C CA -0.582 58.436 59.018 0.000 0.000 2.023 76 C CB 1.521 29.261 27.740 -0.001 0.000 2.361 76 C HN 0.386 nan 8.230 nan 0.000 0.521 77 D N 1.439 121.859 120.400 0.034 0.000 2.200 77 D HA -0.187 4.453 4.640 0.000 0.000 0.192 77 D C 1.510 177.880 176.300 0.117 0.000 1.008 77 D CA 2.079 56.116 54.000 0.062 0.000 0.872 77 D CB -0.271 40.564 40.800 0.058 0.000 0.923 77 D HN 0.689 nan 8.370 nan 0.000 0.447 78 N N -0.494 118.281 118.700 0.124 0.000 2.270 78 N HA -0.068 4.672 4.740 0.000 0.000 0.181 78 N C 1.828 177.291 175.510 -0.078 0.000 1.016 78 N CA 0.590 53.729 53.050 0.149 0.000 0.870 78 N CB -0.396 38.162 38.487 0.117 0.000 0.979 78 N HN 0.280 nan 8.380 nan 0.000 0.431 79 C N 0.041 119.299 119.300 -0.069 0.000 2.492 79 C HA 0.192 4.653 4.460 0.000 0.000 0.279 79 C C 2.534 177.489 174.990 -0.059 0.000 1.335 79 C CA -0.232 58.722 59.018 -0.107 0.000 1.734 79 C CB -0.675 27.009 27.740 -0.094 0.000 2.027 79 C HN 0.409 nan 8.230 nan 0.000 0.496 80 R N 1.359 121.849 120.500 -0.017 0.000 2.073 80 R HA -0.127 4.213 4.340 0.000 0.000 0.234 80 R C 2.126 178.440 176.300 0.023 0.000 1.134 80 R CA 1.540 57.639 56.100 -0.002 0.000 0.952 80 R CB -0.293 30.012 30.300 0.007 0.000 0.850 80 R HN 0.638 nan 8.270 nan 0.000 0.433 81 E N 0.259 120.507 120.200 0.079 0.000 2.110 81 E HA -0.192 4.158 4.350 0.000 0.000 0.193 81 E C 2.018 178.696 176.600 0.130 0.000 0.988 81 E CA 1.109 57.595 56.400 0.144 0.000 0.804 81 E CB -0.081 29.790 29.700 0.285 0.000 0.745 81 E HN 0.376 nan 8.360 nan 0.000 0.458 82 I N 0.993 121.589 120.570 0.043 0.000 2.202 82 I HA -0.246 3.924 4.170 0.000 0.000 0.242 82 I C 2.677 178.781 176.117 -0.022 0.000 1.091 82 I CA 1.136 62.417 61.300 -0.032 0.000 1.368 82 I CB -0.411 37.467 38.000 -0.204 0.000 1.058 82 I HN 0.156 nan 8.210 nan 0.000 0.410 83 E N 1.479 121.659 120.200 -0.034 0.000 2.086 83 E HA -0.300 4.051 4.350 0.000 0.000 0.200 83 E C 1.854 178.442 176.600 -0.019 0.000 1.012 83 E CA 1.813 58.193 56.400 -0.033 0.000 0.812 83 E CB -0.015 29.661 29.700 -0.040 0.000 0.743 83 E HN 0.567 nan 8.360 nan 0.000 0.453 84 Q N -1.319 118.480 119.800 -0.001 0.000 2.360 84 Q HA 0.176 4.516 4.340 0.000 0.000 0.202 84 Q C 1.235 177.245 176.000 0.018 0.000 0.915 84 Q CA 0.346 56.151 55.803 0.003 0.000 0.943 84 Q CB 0.991 29.732 28.738 0.006 0.000 1.064 84 Q HN 0.514 nan 8.270 nan 0.000 0.511 85 G N 1.865 110.684 108.800 0.032 0.000 2.245 85 G HA2 -0.384 3.576 3.960 0.000 0.000 0.264 85 G HA3 -0.384 3.576 3.960 0.000 0.000 0.264 85 G C 1.064 176.006 174.900 0.069 0.000 0.985 85 G CA 0.619 45.747 45.100 0.046 0.000 0.625 85 G HN 0.364 nan 8.290 nan 0.000 0.536 86 R N -0.662 119.881 120.500 0.070 0.000 2.280 86 R HA 0.241 4.582 4.340 0.000 0.000 0.207 86 R C 1.114 177.459 176.300 0.075 0.000 1.043 86 R CA 0.195 56.329 56.100 0.056 0.000 1.006 86 R CB -0.049 30.273 30.300 0.037 0.000 0.885 86 R HN 0.418 nan 8.270 nan 0.000 0.467 87 F N 0.386 120.327 119.950 -0.015 0.000 2.541 87 F HA -0.067 4.461 4.527 0.000 0.000 0.378 87 F C 1.360 177.148 175.800 -0.020 0.000 1.068 87 F CA -0.040 57.949 58.000 -0.017 0.000 1.199 87 F CB 0.833 39.822 39.000 -0.019 0.000 1.091 87 F HN -0.298 nan 8.300 nan 0.000 0.555 88 V N 4.499 124.063 119.914 -0.584 0.000 2.667 88 V HA -0.191 3.929 4.120 0.000 0.000 0.252 88 V C 1.103 177.030 176.094 -0.278 0.000 1.065 88 V CA 1.864 63.939 62.300 -0.375 0.000 1.083 88 V CB -0.462 31.117 31.823 -0.407 0.000 0.692 88 V HN 0.706 nan 8.190 nan 0.000 0.468 89 D N -0.311 119.847 120.400 -0.404 0.000 2.388 89 D HA 0.200 4.840 4.640 0.000 0.000 0.221 89 D C 0.009 176.502 176.300 0.323 0.000 1.133 89 D CA 0.031 54.083 54.000 0.086 0.000 0.831 89 D CB 0.885 41.769 40.800 0.140 0.000 0.962 89 D HN 0.296 nan 8.370 nan 0.000 0.502 90 L N 1.291 122.748 121.223 0.390 0.000 2.324 90 L HA 0.424 4.764 4.340 0.000 0.000 0.274 90 L C -0.933 175.976 176.870 0.066 0.000 1.012 90 L CA -0.430 54.502 54.840 0.154 0.000 0.859 90 L CB 0.849 42.992 42.059 0.140 0.000 1.224 90 L HN -0.194 nan 8.230 nan 0.000 0.429 91 I N 4.185 124.724 120.570 -0.052 0.000 2.301 91 I HA 0.256 4.426 4.170 0.000 0.000 0.292 91 I C 0.143 176.305 176.117 0.074 0.000 1.046 91 I CA -0.080 61.217 61.300 -0.006 0.000 1.282 91 I CB 1.002 38.953 38.000 -0.082 0.000 1.409 91 I HN 0.624 nan 8.210 nan 0.000 0.484 92 E N 7.573 127.824 120.200 0.085 0.000 2.115 92 E HA 0.462 4.812 4.350 0.000 0.000 0.282 92 E C -0.951 175.710 176.600 0.102 0.000 0.987 92 E CA -0.530 55.926 56.400 0.095 0.000 0.797 92 E CB 0.924 30.666 29.700 0.069 0.000 1.086 92 E HN 0.490 nan 8.360 nan 0.000 0.397 93 I N 3.675 124.318 120.570 0.123 0.000 2.354 93 I HA 0.121 4.291 4.170 0.000 0.000 0.292 93 I C -0.181 175.978 176.117 0.070 0.000 0.989 93 I CA -0.761 60.601 61.300 0.103 0.000 1.188 93 I CB 1.454 39.531 38.000 0.129 0.000 1.342 93 I HN 0.495 nan 8.210 nan 0.000 0.457 94 D N 5.947 126.374 120.400 0.046 0.000 2.470 94 D HA 0.226 4.867 4.640 0.000 0.000 0.226 94 D C 0.947 177.248 176.300 0.001 0.000 1.196 94 D CA -0.073 53.941 54.000 0.023 0.000 0.979 94 D CB 1.264 42.076 40.800 0.020 0.000 1.059 94 D HN 0.647 nan 8.370 nan 0.000 0.515 95 A N 3.509 126.319 122.820 -0.016 0.000 2.015 95 A HA -0.015 4.305 4.320 0.000 0.000 0.219 95 A C 2.063 179.596 177.584 -0.086 0.000 1.163 95 A CA 1.415 53.419 52.037 -0.055 0.000 0.646 95 A CB -0.237 18.717 19.000 -0.075 0.000 0.806 95 A HN 0.576 nan 8.150 nan 0.000 0.448 96 A N -1.523 121.248 122.820 -0.082 0.000 2.168 96 A HA 0.118 4.438 4.320 0.000 0.000 0.215 96 A C 2.224 179.786 177.584 -0.037 0.000 1.152 96 A CA 1.696 53.687 52.037 -0.077 0.000 0.716 96 A CB -0.332 18.633 19.000 -0.057 0.000 0.794 96 A HN 0.416 nan 8.150 nan 0.000 0.465 97 S N -1.196 114.488 115.700 -0.027 0.000 2.506 97 S HA 0.163 4.633 4.470 0.000 0.000 0.230 97 S C 1.037 175.626 174.600 -0.019 0.000 1.066 97 S CA -0.146 58.046 58.200 -0.013 0.000 0.940 97 S CB 0.096 63.296 63.200 -0.000 0.000 0.818 97 S HN 0.544 nan 8.310 nan 0.000 0.518 98 R N 2.163 122.649 120.500 -0.023 0.000 2.937 98 R HA 0.205 4.545 4.340 0.000 0.000 0.264 98 R C 0.582 176.851 176.300 -0.052 0.000 1.334 98 R CA 0.128 56.214 56.100 -0.024 0.000 1.516 98 R CB 0.386 30.683 30.300 -0.004 0.000 1.187 98 R HN 0.381 nan 8.270 nan 0.000 0.609 99 T N -2.556 111.959 114.554 -0.064 0.000 3.037 99 T HA 0.128 4.478 4.350 0.000 0.000 0.251 99 T C 0.740 175.379 174.700 -0.102 0.000 1.079 99 T CA 0.038 62.077 62.100 -0.102 0.000 1.067 99 T CB 0.421 69.237 68.868 -0.087 0.000 0.948 99 T HN 0.126 nan 8.240 nan 0.000 0.496 100 K N 1.232 121.591 120.400 -0.068 0.000 2.202 100 K HA 0.401 4.721 4.320 0.000 0.000 0.264 100 K C 1.307 177.875 176.600 -0.053 0.000 1.010 100 K CA -0.319 55.933 56.287 -0.059 0.000 0.940 100 K CB 1.582 34.055 32.500 -0.045 0.000 0.983 100 K HN -0.089 nan 8.250 nan 0.000 0.475 101 V N 1.022 120.910 119.914 -0.044 0.000 2.307 101 V HA -0.213 3.907 4.120 0.000 0.000 0.245 101 V C 1.855 177.939 176.094 -0.017 0.000 1.045 101 V CA 1.407 63.695 62.300 -0.019 0.000 1.024 101 V CB -0.514 31.318 31.823 0.015 0.000 0.651 101 V HN 0.703 nan 8.190 nan 0.000 0.449 102 E N 0.631 120.819 120.200 -0.020 0.000 2.114 102 E HA -0.270 4.080 4.350 0.000 0.000 0.199 102 E C 2.034 178.630 176.600 -0.008 0.000 1.008 102 E CA 1.825 58.218 56.400 -0.011 0.000 0.810 102 E CB -0.535 29.158 29.700 -0.013 0.000 0.739 102 E HN 0.619 nan 8.360 nan 0.000 0.456 103 D N -0.300 120.093 120.400 -0.013 0.000 2.117 103 D HA -0.113 4.527 4.640 0.000 0.000 0.197 103 D C 2.106 178.403 176.300 -0.005 0.000 0.987 103 D CA 2.091 56.088 54.000 -0.005 0.000 0.829 103 D CB -0.278 40.515 40.800 -0.012 0.000 0.961 103 D HN 0.363 nan 8.370 nan 0.000 0.460 104 T N -1.928 112.613 114.554 -0.022 0.000 3.054 104 T HA 0.058 4.408 4.350 0.000 0.000 0.259 104 T C 1.916 176.598 174.700 -0.029 0.000 1.092 104 T CA 0.158 62.239 62.100 -0.031 0.000 1.121 104 T CB 0.139 68.970 68.868 -0.062 0.000 0.912 104 T HN -0.036 nan 8.240 nan 0.000 0.489 105 R N 0.989 121.478 120.500 -0.019 0.000 2.120 105 R HA -0.040 4.300 4.340 0.000 0.000 0.234 105 R C 1.996 178.294 176.300 -0.004 0.000 1.123 105 R CA 1.650 57.743 56.100 -0.013 0.000 0.975 105 R CB -0.232 30.066 30.300 -0.004 0.000 0.866 105 R HN 0.411 nan 8.270 nan 0.000 0.446 106 D N 0.561 120.967 120.400 0.009 0.000 2.117 106 D HA -0.167 4.474 4.640 0.000 0.000 0.197 106 D C 1.825 178.146 176.300 0.035 0.000 0.987 106 D CA 0.634 54.651 54.000 0.029 0.000 0.829 106 D CB -0.261 40.562 40.800 0.040 0.000 0.961 106 D HN 0.041 nan 8.370 nan 0.000 0.460 107 L N 1.033 122.269 121.223 0.021 0.000 1.978 107 L HA -0.209 4.131 4.340 0.000 0.000 0.218 107 L C 2.220 179.063 176.870 -0.045 0.000 1.075 107 L CA 1.621 56.465 54.840 0.006 0.000 0.767 107 L CB -1.038 41.002 42.059 -0.031 0.000 0.890 107 L HN 0.105 nan 8.230 nan 0.000 0.434 108 L N -0.217 120.973 121.223 -0.056 0.000 2.012 108 L HA -0.258 4.082 4.340 0.000 0.000 0.210 108 L C 2.194 179.036 176.870 -0.047 0.000 1.073 108 L CA 1.657 56.462 54.840 -0.058 0.000 0.748 108 L CB -0.979 41.050 42.059 -0.050 0.000 0.891 108 L HN 0.242 nan 8.230 nan 0.000 0.431 109 D N 0.008 120.389 120.400 -0.032 0.000 2.357 109 D HA -0.147 4.493 4.640 0.000 0.000 0.216 109 D C 1.212 177.456 176.300 -0.094 0.000 0.973 109 D CA 0.950 54.919 54.000 -0.052 0.000 0.912 109 D CB -0.255 40.543 40.800 -0.003 0.000 0.900 109 D HN 0.321 nan 8.370 nan 0.000 0.501 110 N N -0.425 118.274 118.700 -0.001 0.000 2.235 110 N HA 0.064 4.804 4.740 0.000 0.000 0.231 110 N C 1.034 176.638 175.510 0.156 0.000 1.177 110 N CA 0.007 53.122 53.050 0.108 0.000 0.874 110 N CB 1.464 40.098 38.487 0.246 0.000 1.097 110 N HN 0.040 nan 8.380 nan 0.000 0.518 111 V N 1.304 121.243 119.914 0.042 0.000 2.426 111 V HA -0.166 3.954 4.120 0.000 0.000 0.242 111 V C 2.617 178.777 176.094 0.111 0.000 1.036 111 V CA 1.248 63.612 62.300 0.107 0.000 1.044 111 V CB -0.268 31.557 31.823 0.004 0.000 0.688 111 V HN 0.358 nan 8.190 nan 0.000 0.462 112 Q N 0.342 120.119 119.800 -0.039 0.000 2.173 112 Q HA -0.239 4.101 4.340 0.000 0.000 0.208 112 Q C 0.507 176.577 176.000 0.118 0.000 0.989 112 Q CA 1.681 57.475 55.803 -0.016 0.000 0.872 112 Q CB -0.723 27.884 28.738 -0.218 0.000 0.909 112 Q HN 0.647 nan 8.270 nan 0.000 0.420 113 Y N 1.572 121.993 120.300 0.201 0.000 2.526 113 Y HA 0.273 4.823 4.550 0.000 0.000 0.330 113 Y C 0.935 176.967 175.900 0.219 0.000 1.156 113 Y CA -0.712 57.475 58.100 0.145 0.000 1.419 113 Y CB 0.392 38.914 38.460 0.104 0.000 1.250 113 Y HN 0.233 nan 8.280 nan 0.000 0.540 114 A N 5.980 128.899 122.820 0.165 0.000 2.448 114 A HA 0.272 4.592 4.320 0.000 0.000 0.239 114 A C -2.282 175.389 177.584 0.145 0.000 1.080 114 A CA -1.378 50.655 52.037 -0.005 0.000 0.779 114 A CB -0.371 18.530 19.000 -0.165 0.000 1.026 114 A HN 0.482 nan 8.150 nan 0.000 0.499 115 P HA 0.256 nan 4.420 nan 0.000 0.269 115 P C 0.661 177.975 177.300 0.023 0.000 1.209 115 P CA 0.546 63.708 63.100 0.104 0.000 0.776 115 P CB 0.878 32.646 31.700 0.114 0.000 0.876 116 A N 4.026 126.835 122.820 -0.019 0.000 1.824 116 A HA -0.135 4.186 4.320 0.000 0.000 0.215 116 A C 1.874 179.414 177.584 -0.073 0.000 1.209 116 A CA 1.527 53.525 52.037 -0.065 0.000 0.614 116 A CB -0.637 18.296 19.000 -0.113 0.000 0.852 116 A HN 0.533 nan 8.150 nan 0.000 0.447 117 R N -1.445 118.988 120.500 -0.111 0.000 2.509 117 R HA 0.231 4.571 4.340 0.000 0.000 0.297 117 R C 0.682 176.988 176.300 0.011 0.000 0.951 117 R CA 0.396 56.450 56.100 -0.078 0.000 1.103 117 R CB 0.782 31.002 30.300 -0.133 0.000 1.283 117 R HN 0.558 nan 8.270 nan 0.000 0.534 118 G N -0.560 108.279 108.800 0.064 0.000 2.753 118 G HA2 0.144 4.104 3.960 0.000 0.000 0.285 118 G HA3 0.144 4.104 3.960 0.000 0.000 0.285 118 G C 0.018 174.978 174.900 0.100 0.000 1.344 118 G CA -0.466 44.766 45.100 0.220 0.000 1.050 118 G HN 0.116 nan 8.290 nan 0.000 0.532 119 R N -1.938 118.613 120.500 0.085 0.000 2.175 119 R HA 0.314 4.654 4.340 0.000 0.000 0.202 119 R C -0.445 175.708 176.300 -0.246 0.000 1.018 119 R CA 0.302 56.342 56.100 -0.100 0.000 1.029 119 R CB 0.090 30.314 30.300 -0.127 0.000 0.959 119 R HN 0.277 nan 8.270 nan 0.000 0.480 120 F N 0.795 120.797 119.950 0.086 0.000 2.561 120 F HA 0.439 4.966 4.527 0.000 0.000 0.321 120 F C -0.372 175.455 175.800 0.045 0.000 1.065 120 F CA -0.984 57.056 58.000 0.067 0.000 0.934 120 F CB 1.889 40.907 39.000 0.031 0.000 1.215 120 F HN -0.278 nan 8.300 nan 0.000 0.471 121 K N 2.266 122.781 120.400 0.193 0.000 2.264 121 K HA 0.574 4.894 4.320 0.000 0.000 0.277 121 K C -1.540 174.963 176.600 -0.163 0.000 1.067 121 K CA -0.331 55.942 56.287 -0.022 0.000 0.900 121 K CB 0.823 33.281 32.500 -0.070 0.000 1.124 121 K HN 0.457 nan 8.250 nan 0.000 0.469 122 V N 5.834 125.640 119.914 -0.179 0.000 2.328 122 V HA 0.223 4.343 4.120 0.000 0.000 0.278 122 V C -0.767 175.158 176.094 -0.282 0.000 1.021 122 V CA -0.894 61.291 62.300 -0.190 0.000 0.838 122 V CB 0.226 32.007 31.823 -0.070 0.000 0.999 122 V HN 0.579 nan 8.190 nan 0.000 0.447 123 Y N 4.934 125.178 120.300 -0.093 0.000 2.336 123 Y HA 0.510 5.060 4.550 0.000 0.000 0.335 123 Y C 0.021 176.008 175.900 0.145 0.000 1.046 123 Y CA -0.531 57.592 58.100 0.039 0.000 1.198 123 Y CB 1.321 39.827 38.460 0.077 0.000 1.182 123 Y HN 0.520 nan 8.280 nan 0.000 0.502 124 L N 6.180 127.553 121.223 0.250 0.000 2.324 124 L HA 0.518 4.858 4.340 0.000 0.000 0.274 124 L C -1.111 175.891 176.870 0.220 0.000 1.012 124 L CA -0.471 54.501 54.840 0.219 0.000 0.859 124 L CB 0.156 42.296 42.059 0.135 0.000 1.224 124 L HN 0.530 nan 8.230 nan 0.000 0.429 125 I N 4.211 124.931 120.570 0.249 0.000 2.297 125 I HA 0.289 4.459 4.170 0.000 0.000 0.291 125 I C -0.499 175.709 176.117 0.152 0.000 1.033 125 I CA -0.319 61.093 61.300 0.188 0.000 1.253 125 I CB 1.163 39.276 38.000 0.188 0.000 1.396 125 I HN 0.525 nan 8.210 nan 0.000 0.476 126 D N 5.760 126.224 120.400 0.107 0.000 2.252 126 D HA 0.241 4.881 4.640 0.000 0.000 0.245 126 D C 0.091 176.411 176.300 0.034 0.000 1.009 126 D CA 0.100 54.155 54.000 0.091 0.000 0.870 126 D CB 1.162 42.011 40.800 0.081 0.000 1.251 126 D HN 0.372 nan 8.370 nan 0.000 0.460 127 E N 0.893 121.113 120.200 0.032 0.000 2.637 127 E HA -0.170 4.180 4.350 0.000 0.000 0.265 127 E C 1.144 177.548 176.600 -0.326 0.000 1.073 127 E CA 0.413 56.742 56.400 -0.118 0.000 0.778 127 E CB -1.956 27.680 29.700 -0.106 0.000 1.362 127 E HN 0.321 nan 8.360 nan 0.000 0.413 128 V N 1.544 121.421 119.914 -0.063 0.000 2.688 128 V HA -0.284 3.836 4.120 0.000 0.000 0.256 128 V C 2.425 178.574 176.094 0.092 0.000 1.084 128 V CA 2.536 64.849 62.300 0.022 0.000 1.103 128 V CB -0.653 31.269 31.823 0.164 0.000 0.688 128 V HN 0.655 nan 8.190 nan 0.000 0.480 129 H N -1.436 117.777 119.070 0.238 0.000 2.557 129 H HA -0.106 4.450 4.556 0.000 0.000 0.287 129 H C 1.628 177.099 175.328 0.238 0.000 1.043 129 H CA 1.283 57.514 56.048 0.303 0.000 1.226 129 H CB -0.338 29.530 29.762 0.177 0.000 1.361 129 H HN 0.420 nan 8.280 nan 0.000 0.592 130 M N 0.883 120.373 119.600 -0.183 0.000 2.465 130 M HA 0.212 4.692 4.480 0.000 0.000 0.249 130 M C 0.747 176.941 176.300 -0.178 0.000 1.130 130 M CA -0.243 55.000 55.300 -0.095 0.000 1.067 130 M CB 0.112 32.613 32.600 -0.164 0.000 1.394 130 M HN 0.120 nan 8.290 nan 0.000 0.483 131 L N 1.921 122.913 121.223 -0.387 0.000 2.543 131 L HA -0.044 4.296 4.340 0.000 0.000 0.285 131 L C 1.171 177.690 176.870 -0.586 0.000 1.236 131 L CA -0.216 54.273 54.840 -0.586 0.000 0.871 131 L CB 0.178 41.672 42.059 -0.941 0.000 1.121 131 L HN 0.315 nan 8.230 nan 0.000 0.501 132 S N 3.170 118.678 115.700 -0.320 0.000 2.587 132 S HA 0.022 4.492 4.470 0.000 0.000 0.260 132 S C 1.140 175.691 174.600 -0.082 0.000 1.353 132 S CA -0.263 57.858 58.200 -0.131 0.000 0.995 132 S CB 0.795 63.965 63.200 -0.051 0.000 0.912 132 S HN 0.743 nan 8.310 nan 0.000 0.568 133 R N 0.257 120.832 120.500 0.125 0.000 2.096 133 R HA -0.198 4.142 4.340 0.000 0.000 0.240 133 R C 1.992 178.389 176.300 0.161 0.000 1.139 133 R CA 2.202 58.437 56.100 0.224 0.000 0.952 133 R CB -0.823 29.590 30.300 0.189 0.000 0.854 133 R HN 0.888 nan 8.270 nan 0.000 0.436 134 H N -0.504 118.577 119.070 0.017 0.000 2.353 134 H HA -0.022 4.535 4.556 0.000 0.000 0.300 134 H C 2.356 177.667 175.328 -0.028 0.000 1.090 134 H CA 1.974 58.023 56.048 0.000 0.000 1.327 134 H CB -0.107 29.646 29.762 -0.015 0.000 1.383 134 H HN 0.168 nan 8.280 nan 0.000 0.508 135 S N -0.356 115.359 115.700 0.026 0.000 2.359 135 S HA -0.160 4.310 4.470 0.000 0.000 0.224 135 S C 1.933 176.486 174.600 -0.078 0.000 1.035 135 S CA 1.187 59.332 58.200 -0.091 0.000 1.018 135 S CB -0.438 62.633 63.200 -0.216 0.000 0.876 135 S HN 0.323 nan 8.310 nan 0.000 0.448 136 F N 2.270 122.212 119.950 -0.015 0.000 2.065 136 F HA -0.197 4.330 4.527 0.000 0.000 0.298 136 F C 2.486 178.250 175.800 -0.061 0.000 1.112 136 F CA 1.200 59.175 58.000 -0.041 0.000 1.212 136 F CB -0.415 38.569 39.000 -0.027 0.000 0.975 136 F HN 0.274 nan 8.300 nan 0.000 0.476 137 N N 0.190 118.971 118.700 0.135 0.000 2.244 137 N HA -0.133 4.608 4.740 0.000 0.000 0.183 137 N C 1.950 177.457 175.510 -0.005 0.000 1.016 137 N CA 0.875 53.942 53.050 0.028 0.000 0.866 137 N CB -0.282 38.184 38.487 -0.035 0.000 0.980 137 N HN 0.245 nan 8.380 nan 0.000 0.430 138 A N 1.944 124.761 122.820 -0.005 0.000 1.908 138 A HA -0.101 4.219 4.320 0.000 0.000 0.218 138 A C 2.211 179.767 177.584 -0.047 0.000 1.181 138 A CA 1.001 53.024 52.037 -0.022 0.000 0.627 138 A CB -0.706 18.283 19.000 -0.017 0.000 0.818 138 A HN 0.188 nan 8.150 nan 0.000 0.445 139 L N -0.520 120.668 121.223 -0.058 0.000 2.362 139 L HA -0.123 4.217 4.340 0.000 0.000 0.219 139 L C 2.396 179.203 176.870 -0.106 0.000 1.134 139 L CA 0.314 55.081 54.840 -0.121 0.000 0.807 139 L CB -0.602 41.368 42.059 -0.148 0.000 0.927 139 L HN 0.406 nan 8.230 nan 0.000 0.447 140 L N -0.181 121.009 121.223 -0.054 0.000 1.956 140 L HA -0.271 4.069 4.340 0.000 0.000 0.216 140 L C 2.832 179.670 176.870 -0.053 0.000 1.073 140 L CA 1.500 56.311 54.840 -0.048 0.000 0.762 140 L CB -0.505 41.534 42.059 -0.033 0.000 0.889 140 L HN 0.255 nan 8.230 nan 0.000 0.433 141 K N -0.517 119.854 120.400 -0.048 0.000 2.063 141 K HA -0.127 4.193 4.320 0.000 0.000 0.208 141 K C 2.044 178.615 176.600 -0.049 0.000 1.048 141 K CA 1.801 58.063 56.287 -0.041 0.000 0.928 141 K CB -0.830 31.649 32.500 -0.034 0.000 0.713 141 K HN 0.344 nan 8.250 nan 0.000 0.442 142 T N 1.907 116.425 114.554 -0.060 0.000 2.857 142 T HA -0.088 4.262 4.350 0.000 0.000 0.266 142 T C 1.817 176.487 174.700 -0.051 0.000 1.048 142 T CA 0.615 62.688 62.100 -0.045 0.000 1.139 142 T CB -0.155 68.690 68.868 -0.038 0.000 0.874 142 T HN -0.011 nan 8.240 nan 0.000 0.455 143 L N 1.402 122.547 121.223 -0.129 0.000 2.093 143 L HA 0.031 4.371 4.340 0.000 0.000 0.208 143 L C 2.431 179.305 176.870 0.007 0.000 1.085 143 L CA 1.682 56.452 54.840 -0.117 0.000 0.755 143 L CB -0.498 41.462 42.059 -0.165 0.000 0.904 143 L HN 0.289 nan 8.230 nan 0.000 0.435 144 E N -0.435 119.752 120.200 -0.022 0.000 2.208 144 E HA -0.157 4.193 4.350 0.000 0.000 0.193 144 E C 0.479 176.987 176.600 -0.152 0.000 0.988 144 E CA 0.952 57.352 56.400 0.000 0.000 0.828 144 E CB 0.196 29.896 29.700 0.001 0.000 0.763 144 E HN 0.575 nan 8.360 nan 0.000 0.478 145 E N 0.883 120.979 120.200 -0.172 0.000 3.729 145 E HA 0.203 4.553 4.350 0.000 0.000 0.195 145 E C -2.482 174.033 176.600 -0.142 0.000 1.005 145 E CA -1.467 54.828 56.400 -0.175 0.000 1.356 145 E CB 1.405 31.057 29.700 -0.080 0.000 1.138 145 E HN 0.225 nan 8.360 nan 0.000 0.450 146 P HA 0.090 nan 4.420 nan 0.000 0.271 146 P C -2.447 174.837 177.300 -0.028 0.000 1.233 146 P CA -1.003 62.072 63.100 -0.042 0.000 0.789 146 P CB -0.217 31.486 31.700 0.007 0.000 0.951 147 P HA -0.027 nan 4.420 nan 0.000 0.269 147 P C 0.807 178.183 177.300 0.127 0.000 1.217 147 P CA 0.087 63.254 63.100 0.111 0.000 0.783 147 P CB 0.260 32.071 31.700 0.184 0.000 0.898 148 E N 0.816 121.140 120.200 0.207 0.000 2.338 148 E HA -0.225 4.125 4.350 0.000 0.000 0.197 148 E C 1.037 177.815 176.600 0.297 0.000 1.007 148 E CA 0.939 57.464 56.400 0.208 0.000 0.849 148 E CB -0.615 29.181 29.700 0.160 0.000 0.774 148 E HN 0.571 nan 8.360 nan 0.000 0.506 149 H N 0.004 119.161 119.070 0.145 0.000 2.517 149 H HA 0.335 4.891 4.556 0.000 0.000 0.282 149 H C -0.240 175.258 175.328 0.283 0.000 1.023 149 H CA -0.325 55.822 56.048 0.164 0.000 1.169 149 H CB -0.216 29.578 29.762 0.053 0.000 1.454 149 H HN 0.001 nan 8.280 nan 0.000 0.556 150 V N 1.909 121.799 119.914 -0.041 0.000 2.604 150 V HA 0.381 4.501 4.120 0.000 0.000 0.305 150 V C -0.636 175.423 176.094 -0.058 0.000 1.043 150 V CA -0.849 61.356 62.300 -0.158 0.000 0.888 150 V CB 2.304 33.941 31.823 -0.309 0.000 0.995 150 V HN 0.176 nan 8.190 nan 0.000 0.429 151 K N 4.036 124.349 120.400 -0.144 0.000 2.468 151 K HA 0.565 4.886 4.320 0.000 0.000 0.252 151 K C -1.423 175.087 176.600 -0.152 0.000 0.932 151 K CA -0.298 55.939 56.287 -0.082 0.000 0.794 151 K CB 2.318 34.743 32.500 -0.125 0.000 1.241 151 K HN 0.449 nan 8.250 nan 0.000 0.428 152 F N 2.420 122.525 119.950 0.259 0.000 2.427 152 F HA 0.454 4.981 4.527 0.000 0.000 0.346 152 F C 0.285 176.247 175.800 0.271 0.000 1.120 152 F CA -0.832 57.326 58.000 0.262 0.000 1.033 152 F CB 1.179 40.309 39.000 0.217 0.000 1.126 152 F HN 0.072 nan 8.300 nan 0.000 0.462 153 L N 6.131 127.616 121.223 0.438 0.000 2.401 153 L HA 0.443 4.783 4.340 0.000 0.000 0.263 153 L C -0.985 176.106 176.870 0.368 0.000 1.004 153 L CA -0.478 54.597 54.840 0.393 0.000 0.881 153 L CB 1.020 43.276 42.059 0.328 0.000 1.219 153 L HN 0.489 nan 8.230 nan 0.000 0.441 154 L N 2.941 124.357 121.223 0.321 0.000 2.292 154 L HA 0.796 5.136 4.340 0.000 0.000 0.284 154 L C 0.313 177.364 176.870 0.301 0.000 1.065 154 L CA -0.352 54.645 54.840 0.262 0.000 0.806 154 L CB 1.513 43.683 42.059 0.185 0.000 1.175 154 L HN 0.613 nan 8.230 nan 0.000 0.431 155 A N 2.091 125.075 122.820 0.273 0.000 2.371 155 A HA 0.807 5.127 4.320 0.000 0.000 0.311 155 A C -0.500 177.220 177.584 0.226 0.000 1.068 155 A CA -0.478 51.728 52.037 0.282 0.000 0.744 155 A CB 2.037 21.184 19.000 0.246 0.000 1.239 155 A HN 0.609 nan 8.150 nan 0.000 0.435 156 T N 0.161 114.859 114.554 0.240 0.000 2.932 156 T HA 0.533 4.883 4.350 0.000 0.000 0.318 156 T C 0.754 175.592 174.700 0.230 0.000 1.265 156 T CA 0.437 62.708 62.100 0.285 0.000 1.036 156 T CB 1.412 70.513 68.868 0.388 0.000 1.209 156 T HN 1.521 nan 8.240 nan 0.000 0.484 157 A N 2.186 125.134 122.820 0.214 0.000 2.014 157 A HA 0.198 4.518 4.320 0.000 0.000 0.218 157 A C 0.977 178.591 177.584 0.050 0.000 1.163 157 A CA 1.137 53.239 52.037 0.108 0.000 0.652 157 A CB -0.187 18.860 19.000 0.078 0.000 0.808 157 A HN 0.700 nan 8.150 nan 0.000 0.449 158 D N -1.190 119.200 120.400 -0.016 0.000 2.517 158 D HA 0.235 4.875 4.640 0.000 0.000 0.301 158 D C -1.929 174.378 176.300 0.013 0.000 1.202 158 D CA -1.860 52.086 54.000 -0.090 0.000 0.910 158 D CB 0.975 41.564 40.800 -0.351 0.000 1.021 158 D HN 0.140 nan 8.370 nan 0.000 0.499 159 P HA -0.108 nan 4.420 nan 0.000 0.229 159 P C 1.299 178.601 177.300 0.003 0.000 1.160 159 P CA 0.421 63.556 63.100 0.059 0.000 0.777 159 P CB 0.595 32.334 31.700 0.065 0.000 0.814 160 Q N 1.010 120.805 119.800 -0.009 0.000 2.173 160 Q HA -0.177 4.163 4.340 0.000 0.000 0.208 160 Q C 1.934 177.915 176.000 -0.032 0.000 0.989 160 Q CA 1.511 57.297 55.803 -0.029 0.000 0.872 160 Q CB -0.502 28.222 28.738 -0.023 0.000 0.909 160 Q HN 0.478 nan 8.270 nan 0.000 0.420 161 K N 0.397 120.798 120.400 0.001 0.000 2.362 161 K HA 0.023 4.343 4.320 0.000 0.000 0.200 161 K C 0.817 177.380 176.600 -0.061 0.000 1.046 161 K CA 0.261 56.566 56.287 0.030 0.000 0.952 161 K CB -0.079 32.498 32.500 0.128 0.000 0.753 161 K HN 0.206 nan 8.250 nan 0.000 0.466 162 L N 2.826 123.947 121.223 -0.170 0.000 2.380 162 L HA 0.180 4.520 4.340 0.000 0.000 0.273 162 L C -2.150 174.464 176.870 -0.427 0.000 1.138 162 L CA -2.317 52.208 54.840 -0.525 0.000 0.832 162 L CB -0.201 41.622 42.059 -0.394 0.000 1.124 162 L HN -0.193 nan 8.230 nan 0.000 0.454 163 P HA -0.082 nan 4.420 nan 0.000 0.268 163 P C 0.670 177.832 177.300 -0.230 0.000 1.208 163 P CA -0.097 62.820 63.100 -0.304 0.000 0.777 163 P CB 0.801 32.325 31.700 -0.294 0.000 0.875 164 V N 2.036 121.861 119.914 -0.149 0.000 2.970 164 V HA -0.160 3.960 4.120 0.000 0.000 0.260 164 V C 1.726 177.755 176.094 -0.109 0.000 1.100 164 V CA 2.607 64.835 62.300 -0.119 0.000 1.122 164 V CB -1.344 30.426 31.823 -0.089 0.000 0.721 164 V HN 0.744 nan 8.190 nan 0.000 0.483 165 T N -1.777 112.712 114.554 -0.110 0.000 2.904 165 T HA -0.034 4.316 4.350 0.000 0.000 0.267 165 T C 1.880 176.525 174.700 -0.092 0.000 1.059 165 T CA 1.152 63.201 62.100 -0.086 0.000 1.137 165 T CB -0.214 68.612 68.868 -0.070 0.000 0.879 165 T HN 0.335 nan 8.240 nan 0.000 0.467 166 I N 1.456 121.945 120.570 -0.135 0.000 2.252 166 I HA -0.018 4.153 4.170 0.000 0.000 0.245 166 I C 2.483 178.532 176.117 -0.113 0.000 1.102 166 I CA 1.038 62.261 61.300 -0.129 0.000 1.385 166 I CB -0.989 36.887 38.000 -0.206 0.000 1.064 166 I HN 0.283 nan 8.210 nan 0.000 0.414 167 L N 0.050 121.193 121.223 -0.133 0.000 1.994 167 L HA -0.228 4.112 4.340 0.000 0.000 0.208 167 L C 2.733 179.536 176.870 -0.111 0.000 1.071 167 L CA 1.525 56.291 54.840 -0.123 0.000 0.745 167 L CB -0.895 41.090 42.059 -0.124 0.000 0.892 167 L HN 0.195 nan 8.230 nan 0.000 0.431 168 S N -0.028 115.616 115.700 -0.093 0.000 2.409 168 S HA -0.270 4.200 4.470 0.000 0.000 0.237 168 S C 1.999 176.564 174.600 -0.058 0.000 1.060 168 S CA 1.760 59.915 58.200 -0.074 0.000 1.052 168 S CB -0.200 62.966 63.200 -0.056 0.000 0.871 168 S HN 0.381 nan 8.310 nan 0.000 0.465 169 R N -1.112 119.363 120.500 -0.043 0.000 2.317 169 R HA 0.263 4.604 4.340 0.000 0.000 0.208 169 R C 0.161 176.475 176.300 0.024 0.000 0.914 169 R CA -0.105 56.007 56.100 0.019 0.000 1.060 169 R CB 0.058 30.383 30.300 0.043 0.000 1.015 169 R HN 0.321 nan 8.270 nan 0.000 0.498 170 C N 0.422 119.657 119.300 -0.107 0.000 2.486 170 C HA 0.462 4.922 4.460 0.000 0.000 0.348 170 C C 0.144 174.833 174.990 -0.502 0.000 1.203 170 C CA -1.003 57.867 59.018 -0.245 0.000 1.911 170 C CB 1.260 28.883 27.740 -0.195 0.000 2.340 170 C HN 0.298 nan 8.230 nan 0.000 0.511 171 L N 2.198 122.927 121.223 -0.825 0.000 2.265 171 L HA 0.374 4.714 4.340 0.000 0.000 0.288 171 L C 0.144 176.531 176.870 -0.806 0.000 1.058 171 L CA 0.257 54.542 54.840 -0.925 0.000 0.809 171 L CB 0.565 41.869 42.059 -1.259 0.000 1.179 171 L HN 0.703 nan 8.230 nan 0.000 0.429 172 Q N 3.200 122.617 119.800 -0.639 0.000 2.314 172 Q HA 0.394 4.734 4.340 0.000 0.000 0.259 172 Q C -1.555 174.181 176.000 -0.439 0.000 0.951 172 Q CA -0.607 54.932 55.803 -0.441 0.000 0.909 172 Q CB 1.019 29.623 28.738 -0.223 0.000 1.236 172 Q HN 0.365 nan 8.270 nan 0.000 0.444 173 F N 2.614 122.517 119.950 -0.079 0.000 2.375 173 F HA 0.215 4.742 4.527 0.000 0.000 0.361 173 F C -0.169 175.736 175.800 0.174 0.000 1.117 173 F CA -0.802 57.232 58.000 0.057 0.000 1.037 173 F CB 1.039 40.079 39.000 0.067 0.000 1.192 173 F HN 0.582 nan 8.300 nan 0.000 0.452 174 H N 4.534 123.778 119.070 0.290 0.000 2.820 174 H HA 0.378 4.934 4.556 0.000 0.000 0.278 174 H C -0.416 175.100 175.328 0.314 0.000 1.142 174 H CA -0.348 55.839 56.048 0.231 0.000 1.346 174 H CB 0.268 30.112 29.762 0.137 0.000 1.438 174 H HN 0.474 nan 8.280 nan 0.000 0.473 175 L N 4.685 125.902 121.223 -0.010 0.000 2.455 175 L HA 0.099 4.439 4.340 0.000 0.000 0.272 175 L C 0.757 177.534 176.870 -0.154 0.000 1.174 175 L CA 0.203 55.027 54.840 -0.026 0.000 0.869 175 L CB 0.419 42.440 42.059 -0.064 0.000 1.130 175 L HN 0.597 nan 8.230 nan 0.000 0.474 176 K N 1.698 122.126 120.400 0.047 0.000 2.138 176 K HA 0.462 4.782 4.320 0.000 0.000 0.251 176 K C 0.101 176.692 176.600 -0.015 0.000 1.015 176 K CA -0.606 55.694 56.287 0.022 0.000 0.917 176 K CB 0.905 33.460 32.500 0.091 0.000 1.021 176 K HN 0.718 nan 8.250 nan 0.000 0.485 177 A N 1.872 124.688 122.820 -0.007 0.000 2.386 177 A HA 0.221 4.541 4.320 0.000 0.000 0.248 177 A C -0.134 177.450 177.584 -0.001 0.000 1.082 177 A CA -0.395 51.638 52.037 -0.006 0.000 0.789 177 A CB 0.008 19.011 19.000 0.004 0.000 1.025 177 A HN 0.601 nan 8.150 nan 0.000 0.490 178 L N 1.692 122.911 121.223 -0.008 0.000 2.331 178 L HA 0.149 4.489 4.340 0.000 0.000 0.278 178 L C 0.403 177.270 176.870 -0.005 0.000 1.106 178 L CA -0.579 54.256 54.840 -0.009 0.000 0.824 178 L CB 0.637 42.685 42.059 -0.017 0.000 1.142 178 L HN 0.742 nan 8.230 nan 0.000 0.443 179 D N 1.979 122.377 120.400 -0.004 0.000 2.455 179 D HA 0.002 4.642 4.640 0.000 0.000 0.241 179 D C 1.153 177.450 176.300 -0.004 0.000 1.138 179 D CA -0.237 53.761 54.000 -0.003 0.000 0.877 179 D CB 1.496 42.293 40.800 -0.005 0.000 1.187 179 D HN 0.274 nan 8.370 nan 0.000 0.451 180 V N 3.536 123.448 119.914 -0.002 0.000 2.252 180 V HA -0.339 3.781 4.120 0.000 0.000 0.255 180 V C 2.260 178.355 176.094 0.001 0.000 1.071 180 V CA 2.526 64.825 62.300 -0.001 0.000 1.050 180 V CB -1.065 30.758 31.823 -0.000 0.000 0.654 180 V HN 0.694 nan 8.190 nan 0.000 0.448 181 E N 0.196 120.397 120.200 0.001 0.000 2.072 181 E HA -0.210 4.140 4.350 0.000 0.000 0.191 181 E C 2.221 178.830 176.600 0.015 0.000 0.985 181 E CA 1.593 57.997 56.400 0.007 0.000 0.801 181 E CB -0.402 29.295 29.700 -0.005 0.000 0.750 181 E HN 0.702 nan 8.360 nan 0.000 0.452 182 Q N 0.107 119.907 119.800 0.001 0.000 2.014 182 Q HA -0.199 4.141 4.340 0.000 0.000 0.207 182 Q C 2.388 178.395 176.000 0.012 0.000 0.993 182 Q CA 2.097 57.901 55.803 0.003 0.000 0.850 182 Q CB -0.353 28.379 28.738 -0.010 0.000 0.916 182 Q HN 0.434 nan 8.270 nan 0.000 0.417 183 I N 0.195 120.763 120.570 -0.004 0.000 2.264 183 I HA -0.309 3.861 4.170 0.000 0.000 0.248 183 I C 2.679 178.783 176.117 -0.021 0.000 1.111 183 I CA 1.153 62.443 61.300 -0.018 0.000 1.382 183 I CB -0.404 37.585 38.000 -0.019 0.000 1.060 183 I HN 0.229 nan 8.210 nan 0.000 0.418 184 R N 0.171 120.672 120.500 0.001 0.000 2.057 184 R HA -0.184 4.156 4.340 0.000 0.000 0.229 184 R C 2.589 178.893 176.300 0.008 0.000 1.136 184 R CA 1.306 57.405 56.100 -0.001 0.000 0.952 184 R CB -0.491 29.819 30.300 0.016 0.000 0.848 184 R HN 0.427 nan 8.270 nan 0.000 0.430 185 H N 0.190 119.230 119.070 -0.050 0.000 2.353 185 H HA -0.211 4.345 4.556 0.000 0.000 0.298 185 H C 1.956 177.243 175.328 -0.068 0.000 1.103 185 H CA 2.304 58.324 56.048 -0.047 0.000 1.293 185 H CB 0.250 29.988 29.762 -0.039 0.000 1.372 185 H HN 0.247 nan 8.280 nan 0.000 0.501 186 Q N 0.829 120.596 119.800 -0.055 0.000 2.124 186 Q HA -0.078 4.263 4.340 0.000 0.000 0.202 186 Q C 2.561 178.438 176.000 -0.206 0.000 0.977 186 Q CA 1.254 56.969 55.803 -0.148 0.000 0.850 186 Q CB -0.335 28.341 28.738 -0.102 0.000 0.901 186 Q HN 0.544 nan 8.270 nan 0.000 0.429 187 L N -0.056 121.060 121.223 -0.178 0.000 2.056 187 L HA -0.131 4.209 4.340 0.000 0.000 0.207 187 L C 2.499 179.182 176.870 -0.312 0.000 1.078 187 L CA 1.647 56.354 54.840 -0.222 0.000 0.749 187 L CB -0.421 41.544 42.059 -0.156 0.000 0.901 187 L HN 0.375 nan 8.230 nan 0.000 0.433 188 E N -0.547 119.478 120.200 -0.291 0.000 2.038 188 E HA -0.322 4.028 4.350 0.000 0.000 0.195 188 E C 2.277 178.662 176.600 -0.358 0.000 1.000 188 E CA 1.491 57.672 56.400 -0.365 0.000 0.803 188 E CB -0.161 29.418 29.700 -0.203 0.000 0.750 188 E HN 0.453 nan 8.360 nan 0.000 0.448 189 H N 0.776 119.587 119.070 -0.432 0.000 2.319 189 H HA -0.157 4.399 4.556 0.000 0.000 0.297 189 H C 2.179 177.228 175.328 -0.466 0.000 1.097 189 H CA 2.121 57.923 56.048 -0.409 0.000 1.285 189 H CB -0.215 29.302 29.762 -0.408 0.000 1.368 189 H HN 0.276 nan 8.280 nan 0.000 0.495 190 I N 0.601 120.877 120.570 -0.491 0.000 2.163 190 I HA -0.291 3.879 4.170 0.000 0.000 0.240 190 I C 2.813 178.611 176.117 -0.531 0.000 1.081 190 I CA 0.874 61.672 61.300 -0.836 0.000 1.353 190 I CB -0.320 37.075 38.000 -1.009 0.000 1.054 190 I HN 0.205 nan 8.210 nan 0.000 0.407 191 L N 0.517 121.486 121.223 -0.423 0.000 2.131 191 L HA -0.225 4.115 4.340 0.000 0.000 0.210 191 L C 2.296 179.027 176.870 -0.231 0.000 1.092 191 L CA 1.051 55.711 54.840 -0.301 0.000 0.759 191 L CB -0.761 41.056 42.059 -0.404 0.000 0.903 191 L HN 0.337 nan 8.230 nan 0.000 0.435 192 N N -0.080 118.441 118.700 -0.299 0.000 2.039 192 N HA -0.169 4.571 4.740 0.000 0.000 0.193 192 N C 1.794 177.082 175.510 -0.369 0.000 1.044 192 N CA 1.155 54.056 53.050 -0.248 0.000 0.847 192 N CB -0.216 38.128 38.487 -0.239 0.000 1.030 192 N HN 0.223 nan 8.380 nan 0.000 0.422 193 E N 1.064 121.038 120.200 -0.377 0.000 2.160 193 E HA -0.151 4.200 4.350 0.000 0.000 0.195 193 E C 1.431 177.967 176.600 -0.108 0.000 0.991 193 E CA 0.733 56.986 56.400 -0.244 0.000 0.810 193 E CB -0.086 29.605 29.700 -0.016 0.000 0.742 193 E HN 0.402 nan 8.360 nan 0.000 0.466 194 E N -0.044 120.157 120.200 0.002 0.000 2.418 194 E HA -0.098 4.252 4.350 0.000 0.000 0.197 194 E C -0.224 176.474 176.600 0.164 0.000 1.026 194 E CA 0.257 56.745 56.400 0.147 0.000 0.862 194 E CB -0.107 29.687 29.700 0.157 0.000 0.799 194 E HN 0.367 nan 8.360 nan 0.000 0.518 195 H N -0.716 118.384 119.070 0.049 0.000 2.904 195 H HA -0.150 4.406 4.556 0.000 0.000 0.333 195 H C -0.209 175.147 175.328 0.046 0.000 1.271 195 H CA 0.661 56.734 56.048 0.041 0.000 1.183 195 H CB -2.087 27.697 29.762 0.037 0.000 1.519 195 H HN 0.155 nan 8.280 nan 0.000 0.441 196 I N -0.004 120.631 120.570 0.108 0.000 2.509 196 I HA 0.515 4.685 4.170 0.000 0.000 0.293 196 I C 0.824 177.029 176.117 0.147 0.000 1.020 196 I CA -0.831 60.531 61.300 0.103 0.000 1.088 196 I CB 2.083 40.125 38.000 0.069 0.000 1.267 196 I HN 0.302 nan 8.210 nan 0.000 0.430 197 A N 5.078 127.963 122.820 0.110 0.000 2.409 197 A HA 0.494 4.814 4.320 0.000 0.000 0.262 197 A C -0.539 177.122 177.584 0.129 0.000 1.113 197 A CA 0.119 52.205 52.037 0.082 0.000 0.790 197 A CB -0.302 18.710 19.000 0.020 0.000 1.046 197 A HN 0.926 nan 8.150 nan 0.000 0.496 198 H N -0.469 118.589 119.070 -0.020 0.000 2.928 198 H HA 0.729 5.285 4.556 0.000 0.000 0.371 198 H C -1.193 174.123 175.328 -0.020 0.000 1.186 198 H CA -0.980 55.054 56.048 -0.024 0.000 1.134 198 H CB 1.205 30.946 29.762 -0.036 0.000 1.824 198 H HN 0.515 nan 8.280 nan 0.000 0.554 199 E N 2.549 122.772 120.200 0.038 0.000 2.129 199 E HA 0.149 4.499 4.350 0.000 0.000 0.268 199 E C -2.015 174.614 176.600 0.048 0.000 0.900 199 E CA -2.190 54.204 56.400 -0.011 0.000 0.755 199 E CB 1.741 31.435 29.700 -0.010 0.000 1.117 199 E HN 0.503 nan 8.360 nan 0.000 0.410 200 P HA -0.314 nan 4.420 nan 0.000 0.224 200 P C 1.324 178.651 177.300 0.046 0.000 1.153 200 P CA 1.648 64.786 63.100 0.063 0.000 0.947 200 P CB 0.200 31.916 31.700 0.027 0.000 0.790 201 R N -0.276 120.239 120.500 0.025 0.000 2.193 201 R HA -0.005 4.335 4.340 0.000 0.000 0.229 201 R C 1.894 178.204 176.300 0.016 0.000 1.110 201 R CA 1.720 57.830 56.100 0.017 0.000 0.988 201 R CB -1.233 29.072 30.300 0.008 0.000 0.871 201 R HN 0.127 nan 8.270 nan 0.000 0.458 202 A N 0.290 123.124 122.820 0.023 0.000 2.067 202 A HA 0.089 4.409 4.320 0.000 0.000 0.217 202 A C 2.026 179.619 177.584 0.016 0.000 1.156 202 A CA 0.737 52.785 52.037 0.018 0.000 0.683 202 A CB -0.273 18.741 19.000 0.024 0.000 0.808 202 A HN 0.345 nan 8.150 nan 0.000 0.455 203 L N -1.063 120.175 121.223 0.025 0.000 2.109 203 L HA -0.148 4.192 4.340 0.000 0.000 0.207 203 L C 2.765 179.636 176.870 0.002 0.000 1.086 203 L CA 0.809 55.652 54.840 0.005 0.000 0.760 203 L CB -0.578 41.486 42.059 0.008 0.000 0.910 203 L HN 0.344 nan 8.230 nan 0.000 0.437 204 Q N 0.484 120.291 119.800 0.011 0.000 2.045 204 Q HA -0.199 4.141 4.340 0.000 0.000 0.206 204 Q C 2.359 178.360 176.000 0.002 0.000 0.991 204 Q CA 1.713 57.521 55.803 0.008 0.000 0.851 204 Q CB -0.560 28.184 28.738 0.010 0.000 0.911 204 Q HN 0.503 nan 8.270 nan 0.000 0.418 205 L N -0.083 121.141 121.223 0.001 0.000 2.046 205 L HA -0.201 4.139 4.340 0.000 0.000 0.208 205 L C 2.525 179.392 176.870 -0.005 0.000 1.077 205 L CA 0.877 55.715 54.840 -0.002 0.000 0.747 205 L CB -0.611 41.446 42.059 -0.003 0.000 0.896 205 L HN 0.194 nan 8.230 nan 0.000 0.432 206 L N -0.221 120.998 121.223 -0.007 0.000 2.017 206 L HA -0.198 4.142 4.340 0.000 0.000 0.208 206 L C 2.923 179.785 176.870 -0.012 0.000 1.073 206 L CA 1.255 56.088 54.840 -0.011 0.000 0.745 206 L CB -0.670 41.378 42.059 -0.018 0.000 0.894 206 L HN 0.240 nan 8.230 nan 0.000 0.432 207 A N -0.315 122.497 122.820 -0.012 0.000 1.877 207 A HA -0.190 4.130 4.320 0.000 0.000 0.216 207 A C 2.356 179.937 177.584 -0.006 0.000 1.186 207 A CA 1.270 53.301 52.037 -0.011 0.000 0.620 207 A CB -0.400 18.595 19.000 -0.008 0.000 0.822 207 A HN 0.236 nan 8.150 nan 0.000 0.443 208 R N -0.238 120.260 120.500 -0.003 0.000 2.094 208 R HA -0.149 4.191 4.340 0.000 0.000 0.239 208 R C 2.348 178.647 176.300 -0.001 0.000 1.137 208 R CA 1.683 57.783 56.100 -0.001 0.000 0.943 208 R CB -1.453 28.847 30.300 -0.000 0.000 0.850 208 R HN 0.532 nan 8.270 nan 0.000 0.433 209 A N 0.930 123.749 122.820 -0.002 0.000 2.121 209 A HA 0.053 4.374 4.320 0.000 0.000 0.218 209 A C 2.272 179.856 177.584 -0.000 0.000 1.154 209 A CA 1.352 53.388 52.037 -0.001 0.000 0.679 209 A CB -0.396 18.603 19.000 -0.003 0.000 0.795 209 A HN 0.357 nan 8.150 nan 0.000 0.458 210 A N -0.841 121.977 122.820 -0.003 0.000 2.024 210 A HA -0.026 4.294 4.320 0.000 0.000 0.220 210 A C 1.011 178.596 177.584 0.001 0.000 1.164 210 A CA 1.407 53.443 52.037 -0.003 0.000 0.643 210 A CB -0.426 18.569 19.000 -0.008 0.000 0.806 210 A HN 0.662 nan 8.150 nan 0.000 0.451 211 E N -3.025 117.177 120.200 0.003 0.000 2.252 211 E HA -0.199 4.151 4.350 0.000 0.000 0.218 211 E C 0.824 177.428 176.600 0.006 0.000 1.253 211 E CA 0.705 57.109 56.400 0.006 0.000 0.705 211 E CB -1.639 28.067 29.700 0.011 0.000 1.172 211 E HN 1.587 nan 8.360 nan 0.000 0.369 212 G N -0.633 108.169 108.800 0.002 0.000 2.195 212 G HA2 -0.339 3.621 3.960 0.000 0.000 0.246 212 G HA3 -0.339 3.621 3.960 0.000 0.000 0.246 212 G C 0.129 175.027 174.900 -0.003 0.000 0.984 212 G CA 0.427 45.527 45.100 0.001 0.000 0.633 212 G HN 1.045 nan 8.290 nan 0.000 0.525 213 S N -0.131 115.567 115.700 -0.004 0.000 2.596 213 S HA 0.664 5.134 4.470 0.000 0.000 0.318 213 S C 1.445 176.039 174.600 -0.011 0.000 1.097 213 S CA -0.158 58.038 58.200 -0.006 0.000 1.080 213 S CB 1.355 64.555 63.200 0.000 0.000 0.991 213 S HN 0.431 nan 8.310 nan 0.000 0.471 214 L N 3.884 125.097 121.223 -0.017 0.000 2.081 214 L HA -0.118 4.222 4.340 0.000 0.000 0.212 214 L C 2.788 179.649 176.870 -0.014 0.000 1.080 214 L CA 1.769 56.596 54.840 -0.021 0.000 0.754 214 L CB -0.254 41.789 42.059 -0.028 0.000 0.893 214 L HN 0.799 nan 8.230 nan 0.000 0.433 215 R N -0.005 120.492 120.500 -0.005 0.000 2.062 215 R HA -0.188 4.153 4.340 0.000 0.000 0.231 215 R C 1.863 178.166 176.300 0.004 0.000 1.136 215 R CA 1.931 58.034 56.100 0.004 0.000 0.948 215 R CB -0.279 30.027 30.300 0.010 0.000 0.845 215 R HN 0.193 nan 8.270 nan 0.000 0.430 216 D N 0.253 120.655 120.400 0.004 0.000 2.157 216 D HA -0.226 4.415 4.640 0.000 0.000 0.191 216 D C 1.736 178.036 176.300 -0.000 0.000 1.004 216 D CA 2.123 56.126 54.000 0.005 0.000 0.854 216 D CB -0.291 40.512 40.800 0.005 0.000 0.936 216 D HN 0.472 nan 8.370 nan 0.000 0.446 217 A N -0.101 122.715 122.820 -0.008 0.000 1.902 217 A HA -0.119 4.201 4.320 0.000 0.000 0.217 217 A C 2.312 179.884 177.584 -0.021 0.000 1.181 217 A CA 0.981 53.008 52.037 -0.017 0.000 0.623 217 A CB -0.666 18.318 19.000 -0.027 0.000 0.818 217 A HN 0.260 nan 8.150 nan 0.000 0.443 218 L N -0.652 120.561 121.223 -0.017 0.000 2.109 218 L HA -0.107 4.233 4.340 0.000 0.000 0.207 218 L C 2.786 179.660 176.870 0.007 0.000 1.086 218 L CA 1.262 56.094 54.840 -0.013 0.000 0.760 218 L CB -0.383 41.676 42.059 -0.001 0.000 0.910 218 L HN 0.331 nan 8.230 nan 0.000 0.437 219 S N 0.206 115.913 115.700 0.012 0.000 2.368 219 S HA -0.108 4.362 4.470 0.000 0.000 0.224 219 S C 1.984 176.594 174.600 0.016 0.000 1.029 219 S CA 1.043 59.255 58.200 0.021 0.000 0.988 219 S CB -0.235 62.978 63.200 0.021 0.000 0.838 219 S HN 0.278 nan 8.310 nan 0.000 0.462 220 L N 1.118 122.345 121.223 0.007 0.000 2.042 220 L HA -0.158 4.182 4.340 0.000 0.000 0.210 220 L C 2.668 179.539 176.870 0.003 0.000 1.076 220 L CA 1.294 56.136 54.840 0.004 0.000 0.749 220 L CB -1.246 40.811 42.059 -0.002 0.000 0.893 220 L HN 0.320 nan 8.230 nan 0.000 0.432 221 T N -1.393 113.159 114.554 -0.004 0.000 2.746 221 T HA -0.210 4.140 4.350 0.000 0.000 0.267 221 T C 1.591 176.298 174.700 0.011 0.000 1.039 221 T CA 1.438 63.533 62.100 -0.008 0.000 1.142 221 T CB -0.231 68.618 68.868 -0.032 0.000 0.866 221 T HN 0.285 nan 8.240 nan 0.000 0.444 222 D N 0.524 120.941 120.400 0.028 0.000 2.219 222 D HA -0.062 4.578 4.640 0.000 0.000 0.205 222 D C 2.183 178.507 176.300 0.040 0.000 0.970 222 D CA 0.689 54.720 54.000 0.053 0.000 0.851 222 D CB -0.107 40.741 40.800 0.080 0.000 0.943 222 D HN 0.442 nan 8.370 nan 0.000 0.488 223 Q N 0.027 119.844 119.800 0.028 0.000 2.083 223 Q HA -0.106 4.234 4.340 0.000 0.000 0.198 223 Q C 2.045 178.053 176.000 0.013 0.000 0.969 223 Q CA 1.157 56.972 55.803 0.020 0.000 0.838 223 Q CB 0.036 28.782 28.738 0.015 0.000 0.900 223 Q HN 0.174 nan 8.270 nan 0.000 0.436 224 A N 1.392 124.218 122.820 0.010 0.000 1.884 224 A HA -0.236 4.084 4.320 0.000 0.000 0.219 224 A C 1.976 179.566 177.584 0.011 0.000 1.197 224 A CA 1.860 53.902 52.037 0.008 0.000 0.637 224 A CB -0.979 18.024 19.000 0.005 0.000 0.827 224 A HN 0.493 nan 8.150 nan 0.000 0.450 225 I N -0.466 120.114 120.570 0.017 0.000 2.335 225 I HA -0.270 3.900 4.170 0.000 0.000 0.251 225 I C 2.802 178.926 176.117 0.012 0.000 1.129 225 I CA 1.018 62.329 61.300 0.019 0.000 1.402 225 I CB -0.417 37.601 38.000 0.031 0.000 1.069 225 I HN 0.390 nan 8.210 nan 0.000 0.424 226 A N 0.103 122.930 122.820 0.011 0.000 1.843 226 A HA -0.169 4.151 4.320 0.000 0.000 0.213 226 A C 2.482 180.067 177.584 0.002 0.000 1.202 226 A CA 1.557 53.596 52.037 0.003 0.000 0.607 226 A CB -0.918 18.085 19.000 0.005 0.000 0.847 226 A HN 0.337 nan 8.150 nan 0.000 0.445 227 S N -0.233 115.469 115.700 0.003 0.000 2.392 227 S HA -0.126 4.344 4.470 0.000 0.000 0.232 227 S C 1.793 176.393 174.600 -0.001 0.000 1.041 227 S CA 2.034 60.235 58.200 0.000 0.000 1.026 227 S CB -0.605 62.594 63.200 -0.000 0.000 0.845 227 S HN 0.747 nan 8.310 nan 0.000 0.465 228 G N -0.853 107.949 108.800 0.002 0.000 2.985 228 G HA2 0.131 4.091 3.960 0.000 0.000 0.209 228 G HA3 0.131 4.091 3.960 0.000 0.000 0.209 228 G C 0.398 175.299 174.900 0.002 0.000 1.165 228 G CA 0.723 45.825 45.100 0.002 0.000 0.776 228 G HN 0.543 nan 8.290 nan 0.000 0.541 229 D N -2.126 118.274 120.400 -0.000 0.000 3.006 229 D HA -0.157 4.483 4.640 0.000 0.000 0.205 229 D C 1.511 177.810 176.300 -0.001 0.000 1.075 229 D CA 2.059 56.057 54.000 -0.003 0.000 1.000 229 D CB -1.321 39.477 40.800 -0.003 0.000 1.097 229 D HN 0.984 nan 8.370 nan 0.000 0.426 230 G N -1.127 107.676 108.800 0.004 0.000 2.797 230 G HA2 -0.183 3.778 3.960 0.000 0.000 0.195 230 G HA3 -0.183 3.778 3.960 0.000 0.000 0.195 230 G C 0.109 175.021 174.900 0.020 0.000 1.026 230 G CA 0.183 45.289 45.100 0.010 0.000 0.759 230 G HN 0.418 nan 8.290 nan 0.000 0.475 231 Q N 0.189 120.000 119.800 0.017 0.000 2.222 231 Q HA 0.604 4.944 4.340 0.000 0.000 0.252 231 Q C -0.485 175.531 176.000 0.026 0.000 0.926 231 Q CA -0.584 55.233 55.803 0.024 0.000 0.899 231 Q CB 2.788 31.535 28.738 0.015 0.000 1.250 231 Q HN 0.084 nan 8.270 nan 0.000 0.441 232 V N 3.045 122.984 119.914 0.041 0.000 2.218 232 V HA 0.098 4.218 4.120 0.000 0.000 0.261 232 V C 0.055 176.174 176.094 0.042 0.000 1.142 232 V CA -0.132 62.192 62.300 0.039 0.000 0.965 232 V CB 0.087 31.937 31.823 0.044 0.000 1.190 232 V HN 0.767 nan 8.190 nan 0.000 0.478 233 S N 2.203 117.917 115.700 0.022 0.000 2.672 233 S HA 0.312 4.782 4.470 0.000 0.000 0.276 233 S C 1.267 175.873 174.600 0.010 0.000 1.207 233 S CA -0.104 58.104 58.200 0.013 0.000 1.002 233 S CB 1.618 64.820 63.200 0.003 0.000 0.998 233 S HN 0.475 nan 8.310 nan 0.000 0.542 234 T N 1.593 116.150 114.554 0.005 0.000 2.708 234 T HA -0.143 4.207 4.350 0.000 0.000 0.266 234 T C 1.928 176.627 174.700 -0.003 0.000 1.037 234 T CA 1.710 63.812 62.100 0.002 0.000 1.146 234 T CB -0.539 68.329 68.868 -0.001 0.000 0.865 234 T HN 0.658 nan 8.240 nan 0.000 0.435 235 Q N 0.640 120.437 119.800 -0.005 0.000 2.096 235 Q HA -0.187 4.153 4.340 0.000 0.000 0.208 235 Q C 2.749 178.744 176.000 -0.009 0.000 0.993 235 Q CA 1.764 57.562 55.803 -0.008 0.000 0.862 235 Q CB -0.418 28.315 28.738 -0.009 0.000 0.915 235 Q HN 0.592 nan 8.270 nan 0.000 0.416 236 A N 0.391 123.207 122.820 -0.006 0.000 1.832 236 A HA -0.143 4.177 4.320 0.000 0.000 0.214 236 A C 2.369 179.949 177.584 -0.007 0.000 1.200 236 A CA 1.484 53.517 52.037 -0.006 0.000 0.610 236 A CB -1.019 17.981 19.000 -0.001 0.000 0.842 236 A HN 0.214 nan 8.150 nan 0.000 0.444 237 V N 1.256 121.168 119.914 -0.004 0.000 2.278 237 V HA -0.332 3.788 4.120 0.000 0.000 0.251 237 V C 3.066 179.153 176.094 -0.011 0.000 1.062 237 V CA 2.808 65.105 62.300 -0.005 0.000 1.038 237 V CB -1.009 30.813 31.823 -0.002 0.000 0.646 237 V HN 0.844 nan 8.190 nan 0.000 0.447 238 S N 0.514 116.206 115.700 -0.013 0.000 2.368 238 S HA -0.124 4.346 4.470 0.000 0.000 0.224 238 S C 2.118 176.701 174.600 -0.027 0.000 1.029 238 S CA 1.258 59.446 58.200 -0.019 0.000 0.988 238 S CB -0.591 62.598 63.200 -0.018 0.000 0.838 238 S HN 0.621 nan 8.310 nan 0.000 0.462 239 A N 2.399 125.204 122.820 -0.025 0.000 1.883 239 A HA -0.009 4.312 4.320 0.000 0.000 0.217 239 A C 2.334 179.898 177.584 -0.032 0.000 1.186 239 A CA 1.819 53.837 52.037 -0.031 0.000 0.624 239 A CB -0.820 18.165 19.000 -0.025 0.000 0.822 239 A HN 0.639 nan 8.150 nan 0.000 0.444 240 M N -0.655 118.931 119.600 -0.024 0.000 2.064 240 M HA -0.076 4.404 4.480 0.000 0.000 0.260 240 M C 2.032 178.317 176.300 -0.025 0.000 1.073 240 M CA 1.789 57.077 55.300 -0.021 0.000 1.124 240 M CB -0.297 32.296 32.600 -0.012 0.000 1.326 240 M HN 0.374 nan 8.290 nan 0.000 0.410 241 L N 0.006 121.215 121.223 -0.023 0.000 2.079 241 L HA -0.126 4.214 4.340 0.000 0.000 0.210 241 L C 1.550 178.398 176.870 -0.038 0.000 1.081 241 L CA 1.329 56.155 54.840 -0.024 0.000 0.752 241 L CB -0.602 41.446 42.059 -0.019 0.000 0.896 241 L HN 0.824 nan 8.230 nan 0.000 0.433 242 G N -1.258 107.512 108.800 -0.050 0.000 2.168 242 G HA2 -0.216 3.744 3.960 0.000 0.000 0.197 242 G HA3 -0.216 3.744 3.960 0.000 0.000 0.197 242 G C 0.324 175.178 174.900 -0.077 0.000 0.997 242 G CA 0.068 45.122 45.100 -0.077 0.000 0.658 242 G HN 0.223 nan 8.290 nan 0.000 0.513 243 T N 1.224 115.746 114.554 -0.053 0.000 2.923 243 T HA 0.294 4.644 4.350 0.000 0.000 0.320 243 T C 0.898 175.568 174.700 -0.051 0.000 1.074 243 T CA 0.432 62.506 62.100 -0.043 0.000 1.131 243 T CB 0.879 69.729 68.868 -0.029 0.000 1.058 243 T HN 0.365 nan 8.240 nan 0.000 0.535 244 L N 3.069 124.267 121.223 -0.042 0.000 2.343 244 L HA 0.342 4.682 4.340 0.000 0.000 0.275 244 L C 0.423 177.275 176.870 -0.030 0.000 1.056 244 L CA -1.112 53.702 54.840 -0.043 0.000 0.804 244 L CB 0.947 42.985 42.059 -0.035 0.000 1.203 244 L HN 0.727 nan 8.230 nan 0.000 0.440 245 D N 0.288 120.669 120.400 -0.031 0.000 2.312 245 D HA -0.016 4.624 4.640 0.000 0.000 0.252 245 D C 0.387 176.677 176.300 -0.016 0.000 1.150 245 D CA -0.442 53.545 54.000 -0.022 0.000 0.870 245 D CB 1.302 42.089 40.800 -0.023 0.000 1.153 245 D HN 0.392 nan 8.370 nan 0.000 0.457 246 D N 1.842 122.236 120.400 -0.010 0.000 2.190 246 D HA -0.235 4.405 4.640 0.000 0.000 0.200 246 D C 1.149 177.446 176.300 -0.006 0.000 0.992 246 D CA 1.013 55.009 54.000 -0.006 0.000 0.854 246 D CB 0.049 40.849 40.800 -0.001 0.000 0.936 246 D HN 0.617 nan 8.370 nan 0.000 0.462 247 D N 0.140 120.536 120.400 -0.008 0.000 2.108 247 D HA -0.211 4.429 4.640 0.000 0.000 0.190 247 D C 1.995 178.290 176.300 -0.008 0.000 0.995 247 D CA 1.586 55.582 54.000 -0.008 0.000 0.834 247 D CB -0.271 40.523 40.800 -0.008 0.000 0.967 247 D HN 0.173 nan 8.370 nan 0.000 0.446 248 Q N -0.702 119.091 119.800 -0.011 0.000 2.173 248 Q HA -0.275 4.065 4.340 0.000 0.000 0.208 248 Q C 1.967 177.964 176.000 -0.005 0.000 0.989 248 Q CA 1.851 57.649 55.803 -0.010 0.000 0.872 248 Q CB -0.272 28.456 28.738 -0.017 0.000 0.909 248 Q HN 0.411 nan 8.270 nan 0.000 0.420 249 A N 0.265 123.082 122.820 -0.004 0.000 1.841 249 A HA -0.180 4.140 4.320 0.000 0.000 0.214 249 A C 1.916 179.498 177.584 -0.003 0.000 1.195 249 A CA 1.320 53.358 52.037 0.002 0.000 0.611 249 A CB -0.890 18.113 19.000 0.005 0.000 0.835 249 A HN 0.457 nan 8.150 nan 0.000 0.443 250 L N 0.460 121.680 121.223 -0.005 0.000 1.971 250 L HA -0.171 4.170 4.340 0.000 0.000 0.215 250 L C 2.474 179.331 176.870 -0.022 0.000 1.072 250 L CA 2.768 57.601 54.840 -0.011 0.000 0.758 250 L CB -1.097 40.958 42.059 -0.007 0.000 0.889 250 L HN 0.338 nan 8.230 nan 0.000 0.433 251 S N -0.425 115.264 115.700 -0.017 0.000 2.400 251 S HA -0.266 4.204 4.470 0.000 0.000 0.234 251 S C 1.976 176.558 174.600 -0.030 0.000 1.049 251 S CA 2.001 60.189 58.200 -0.021 0.000 1.039 251 S CB -0.594 62.598 63.200 -0.013 0.000 0.856 251 S HN 0.491 nan 8.310 nan 0.000 0.465 252 L N 0.574 121.782 121.223 -0.025 0.000 2.044 252 L HA -0.067 4.273 4.340 0.000 0.000 0.205 252 L C 2.349 179.178 176.870 -0.069 0.000 1.075 252 L CA 0.812 55.632 54.840 -0.034 0.000 0.747 252 L CB -0.503 41.550 42.059 -0.010 0.000 0.903 252 L HN 0.185 nan 8.230 nan 0.000 0.435 253 V N 0.178 120.051 119.914 -0.068 0.000 2.278 253 V HA -0.373 3.747 4.120 0.000 0.000 0.251 253 V C 2.354 178.365 176.094 -0.139 0.000 1.062 253 V CA 2.099 64.334 62.300 -0.109 0.000 1.038 253 V CB -0.538 31.243 31.823 -0.070 0.000 0.646 253 V HN 0.492 nan 8.190 nan 0.000 0.447 254 E N 0.185 120.329 120.200 -0.093 0.000 2.005 254 E HA -0.262 4.088 4.350 0.000 0.000 0.198 254 E C 2.339 178.874 176.600 -0.108 0.000 1.010 254 E CA 1.421 57.767 56.400 -0.091 0.000 0.825 254 E CB -0.503 29.163 29.700 -0.057 0.000 0.769 254 E HN 0.568 nan 8.360 nan 0.000 0.456 255 A N 1.424 124.195 122.820 -0.083 0.000 2.042 255 A HA -0.267 4.053 4.320 0.000 0.000 0.222 255 A C 2.106 179.624 177.584 -0.109 0.000 1.167 255 A CA 1.833 53.823 52.037 -0.078 0.000 0.649 255 A CB -0.639 18.330 19.000 -0.052 0.000 0.809 255 A HN 0.324 nan 8.150 nan 0.000 0.457 256 M N 0.208 119.716 119.600 -0.153 0.000 2.099 256 M HA -0.125 4.355 4.480 0.000 0.000 0.262 256 M C 2.106 178.237 176.300 -0.282 0.000 1.067 256 M CA 2.425 57.596 55.300 -0.216 0.000 1.124 256 M CB -0.266 32.157 32.600 -0.295 0.000 1.353 256 M HN 0.451 nan 8.290 nan 0.000 0.410 257 V N -1.925 117.781 119.914 -0.346 0.000 2.871 257 V HA -0.095 4.025 4.120 0.000 0.000 0.256 257 V C 1.232 177.161 176.094 -0.275 0.000 1.082 257 V CA 1.556 63.678 62.300 -0.298 0.000 1.105 257 V CB -1.145 30.531 31.823 -0.246 0.000 0.713 257 V HN 0.505 nan 8.190 nan 0.000 0.473 258 E N 1.197 121.255 120.200 -0.237 0.000 2.512 258 E HA 0.400 4.750 4.350 0.000 0.000 0.195 258 E C 1.415 177.911 176.600 -0.174 0.000 1.083 258 E CA 0.504 56.759 56.400 -0.241 0.000 0.873 258 E CB -0.154 29.473 29.700 -0.123 0.000 0.897 258 E HN 0.839 nan 8.360 nan 0.000 0.514 259 A N 1.865 124.612 122.820 -0.120 0.000 2.816 259 A HA -0.239 4.081 4.320 0.000 0.000 0.270 259 A C 0.604 178.194 177.584 0.009 0.000 1.413 259 A CA 0.777 52.821 52.037 0.011 0.000 0.866 259 A CB -2.160 16.926 19.000 0.144 0.000 1.032 259 A HN 0.338 nan 8.150 nan 0.000 0.642 260 N N 0.589 119.273 118.700 -0.027 0.000 2.895 260 N HA 0.340 5.080 4.740 0.000 0.000 0.277 260 N C 1.435 176.937 175.510 -0.013 0.000 1.185 260 N CA 0.930 53.971 53.050 -0.015 0.000 1.106 260 N CB -0.403 38.069 38.487 -0.025 0.000 1.422 260 N HN 0.494 nan 8.380 nan 0.000 0.521 261 G N 1.816 110.615 108.800 -0.001 0.000 2.586 261 G HA2 -0.325 3.635 3.960 0.000 0.000 0.218 261 G HA3 -0.325 3.635 3.960 0.000 0.000 0.218 261 G C 1.039 175.936 174.900 -0.006 0.000 1.216 261 G CA 0.776 45.873 45.100 -0.004 0.000 0.786 261 G HN 0.664 nan 8.290 nan 0.000 0.583 262 E N 0.150 120.349 120.200 -0.001 0.000 2.171 262 E HA -0.240 4.110 4.350 0.000 0.000 0.197 262 E C 2.471 179.070 176.600 -0.002 0.000 0.997 262 E CA 1.350 57.750 56.400 0.000 0.000 0.810 262 E CB -0.100 29.602 29.700 0.003 0.000 0.738 262 E HN 0.472 nan 8.360 nan 0.000 0.467 263 R N -0.217 120.280 120.500 -0.005 0.000 2.100 263 R HA -0.022 4.318 4.340 0.000 0.000 0.220 263 R C 2.325 178.620 176.300 -0.008 0.000 1.091 263 R CA 0.886 56.983 56.100 -0.006 0.000 0.986 263 R CB -0.168 30.126 30.300 -0.011 0.000 0.888 263 R HN 0.044 nan 8.270 nan 0.000 0.444 264 V N 1.054 120.958 119.914 -0.016 0.000 2.287 264 V HA -0.320 3.800 4.120 0.000 0.000 0.248 264 V C 2.314 178.406 176.094 -0.004 0.000 1.053 264 V CA 1.782 64.071 62.300 -0.018 0.000 1.027 264 V CB -0.336 31.466 31.823 -0.034 0.000 0.646 264 V HN 0.370 nan 8.190 nan 0.000 0.447 265 M N -0.273 119.323 119.600 -0.007 0.000 2.067 265 M HA -0.110 4.370 4.480 0.000 0.000 0.260 265 M C 2.437 178.745 176.300 0.013 0.000 1.069 265 M CA 2.313 57.611 55.300 -0.003 0.000 1.117 265 M CB -1.723 30.872 32.600 -0.009 0.000 1.334 265 M HN 0.385 nan 8.290 nan 0.000 0.407 266 A N -0.292 122.534 122.820 0.011 0.000 2.024 266 A HA -0.140 4.180 4.320 0.000 0.000 0.220 266 A C 2.230 179.828 177.584 0.025 0.000 1.164 266 A CA 1.304 53.351 52.037 0.016 0.000 0.643 266 A CB -0.747 18.258 19.000 0.009 0.000 0.806 266 A HN 0.410 nan 8.150 nan 0.000 0.451 267 L N -1.035 120.203 121.223 0.025 0.000 2.249 267 L HA 0.208 4.548 4.340 0.000 0.000 0.207 267 L C 2.021 178.928 176.870 0.062 0.000 1.090 267 L CA 1.090 55.948 54.840 0.031 0.000 0.802 267 L CB -0.254 41.816 42.059 0.017 0.000 0.947 267 L HN 0.369 nan 8.230 nan 0.000 0.453 268 I N -0.431 120.189 120.570 0.083 0.000 2.546 268 I HA -0.220 3.951 4.170 0.000 0.000 0.255 268 I C 2.185 178.422 176.117 0.200 0.000 1.163 268 I CA 0.717 62.118 61.300 0.168 0.000 1.457 268 I CB -0.244 37.825 38.000 0.114 0.000 1.092 268 I HN 0.373 nan 8.210 nan 0.000 0.434 269 N N 0.984 119.751 118.700 0.113 0.000 2.216 269 N HA -0.159 4.581 4.740 0.000 0.000 0.183 269 N C 1.579 177.142 175.510 0.089 0.000 1.017 269 N CA 1.256 54.367 53.050 0.102 0.000 0.861 269 N CB 0.178 38.698 38.487 0.056 0.000 0.986 269 N HN 0.440 nan 8.380 nan 0.000 0.428 270 E N 0.126 120.364 120.200 0.063 0.000 2.216 270 E HA 0.032 4.382 4.350 0.000 0.000 0.192 270 E C 1.921 178.535 176.600 0.024 0.000 0.988 270 E CA 0.625 57.046 56.400 0.036 0.000 0.834 270 E CB 0.010 29.721 29.700 0.020 0.000 0.772 270 E HN 0.333 nan 8.360 nan 0.000 0.479 271 A N 1.922 124.768 122.820 0.044 0.000 1.877 271 A HA -0.106 4.214 4.320 0.000 0.000 0.216 271 A C 2.484 180.020 177.584 -0.080 0.000 1.186 271 A CA 1.597 53.620 52.037 -0.024 0.000 0.620 271 A CB -0.837 18.173 19.000 0.018 0.000 0.822 271 A HN 0.286 nan 8.150 nan 0.000 0.443 272 A N -0.034 122.861 122.820 0.125 0.000 1.903 272 A HA -0.018 4.302 4.320 0.000 0.000 0.219 272 A C 2.518 180.138 177.584 0.060 0.000 1.191 272 A CA 2.732 54.889 52.037 0.200 0.000 0.638 272 A CB -1.134 18.074 19.000 0.347 0.000 0.823 272 A HN 1.173 nan 8.150 nan 0.000 0.451 273 A N -0.647 122.199 122.820 0.043 0.000 1.898 273 A HA -0.125 4.195 4.320 0.000 0.000 0.216 273 A C 2.181 179.753 177.584 -0.020 0.000 1.181 273 A CA 1.409 53.455 52.037 0.016 0.000 0.620 273 A CB -0.429 18.582 19.000 0.018 0.000 0.819 273 A HN 0.540 nan 8.150 nan 0.000 0.442 274 R N -0.976 119.497 120.500 -0.045 0.000 2.328 274 R HA 0.105 4.445 4.340 0.000 0.000 0.207 274 R C 0.905 177.144 176.300 -0.101 0.000 1.056 274 R CA 0.455 56.515 56.100 -0.066 0.000 1.016 274 R CB -0.373 29.884 30.300 -0.071 0.000 0.872 274 R HN 0.711 nan 8.270 nan 0.000 0.471 275 G N 1.969 110.691 108.800 -0.131 0.000 2.385 275 G HA2 -0.270 3.690 3.960 0.000 0.000 0.294 275 G HA3 -0.270 3.690 3.960 0.000 0.000 0.294 275 G C -0.137 174.600 174.900 -0.272 0.000 1.070 275 G CA -0.230 44.766 45.100 -0.173 0.000 1.172 275 G HN 0.249 nan 8.290 nan 0.000 0.516 276 I N -0.143 120.150 120.570 -0.462 0.000 2.499 276 I HA 0.288 4.458 4.170 0.000 0.000 0.296 276 I C 0.941 176.673 176.117 -0.641 0.000 0.992 276 I CA -0.575 60.430 61.300 -0.492 0.000 1.297 276 I CB 1.242 38.945 38.000 -0.495 0.000 1.410 276 I HN 0.379 nan 8.210 nan 0.000 0.507 277 E N 5.439 125.410 120.200 -0.381 0.000 2.070 277 E HA 0.002 4.352 4.350 0.000 0.000 0.282 277 E C 0.023 176.492 176.600 -0.218 0.000 1.104 277 E CA -0.184 56.030 56.400 -0.311 0.000 0.876 277 E CB 0.461 30.082 29.700 -0.130 0.000 1.055 277 E HN 0.510 nan 8.360 nan 0.000 0.401 278 W N 3.536 124.833 121.300 -0.006 0.000 2.304 278 W HA -0.262 4.399 4.660 0.001 0.000 0.315 278 W C 2.060 178.575 176.519 -0.006 0.000 1.233 278 W CA 1.097 58.438 57.345 -0.007 0.000 1.261 278 W CB -0.092 29.364 29.460 -0.006 0.000 1.150 278 W HN 0.654 nan 8.180 nan 0.000 0.494 279 E N 0.384 120.702 120.200 0.196 0.000 2.110 279 E HA -0.226 4.124 4.350 0.000 0.000 0.193 279 E C 2.289 178.931 176.600 0.070 0.000 0.988 279 E CA 1.227 57.697 56.400 0.117 0.000 0.804 279 E CB -0.259 29.491 29.700 0.085 0.000 0.745 279 E HN 0.232 nan 8.360 nan 0.000 0.458 280 A N 1.069 123.912 122.820 0.038 0.000 1.883 280 A HA -0.215 4.106 4.320 0.000 0.000 0.217 280 A C 2.097 179.694 177.584 0.022 0.000 1.186 280 A CA 1.344 53.388 52.037 0.011 0.000 0.624 280 A CB -0.801 18.184 19.000 -0.025 0.000 0.822 280 A HN 0.333 nan 8.150 nan 0.000 0.444 281 L N -0.262 120.983 121.223 0.036 0.000 1.941 281 L HA -0.232 4.108 4.340 0.000 0.000 0.224 281 L C 2.496 179.403 176.870 0.062 0.000 1.081 281 L CA 2.213 57.088 54.840 0.058 0.000 0.784 281 L CB -0.601 41.542 42.059 0.139 0.000 0.894 281 L HN 0.468 nan 8.230 nan 0.000 0.436 282 L N -1.571 119.702 121.223 0.084 0.000 2.103 282 L HA -0.338 4.002 4.340 0.000 0.000 0.215 282 L C 2.313 179.199 176.870 0.026 0.000 1.080 282 L CA 1.524 56.393 54.840 0.048 0.000 0.764 282 L CB -0.648 41.441 42.059 0.050 0.000 0.890 282 L HN 0.245 nan 8.230 nan 0.000 0.435 283 V N -0.698 119.235 119.914 0.030 0.000 2.302 283 V HA -0.240 3.881 4.120 0.000 0.000 0.243 283 V C 2.406 178.521 176.094 0.034 0.000 1.036 283 V CA 1.791 64.105 62.300 0.024 0.000 1.020 283 V CB -0.326 31.510 31.823 0.021 0.000 0.657 283 V HN 0.419 nan 8.190 nan 0.000 0.453 284 E N 0.166 120.384 120.200 0.030 0.000 2.097 284 E HA -0.272 4.078 4.350 0.000 0.000 0.196 284 E C 2.156 178.783 176.600 0.046 0.000 1.000 284 E CA 2.028 58.448 56.400 0.033 0.000 0.804 284 E CB -0.297 29.414 29.700 0.020 0.000 0.740 284 E HN 0.494 nan 8.360 nan 0.000 0.454 285 M N -0.401 119.223 119.600 0.041 0.000 2.086 285 M HA -0.149 4.331 4.480 0.000 0.000 0.261 285 M C 2.296 178.643 176.300 0.078 0.000 1.067 285 M CA 1.265 56.591 55.300 0.043 0.000 1.116 285 M CB -0.298 32.317 32.600 0.024 0.000 1.348 285 M HN 0.219 nan 8.290 nan 0.000 0.407 286 L N -0.485 120.783 121.223 0.075 0.000 2.079 286 L HA -0.180 4.161 4.340 0.000 0.000 0.210 286 L C 2.605 179.619 176.870 0.240 0.000 1.081 286 L CA 1.369 56.297 54.840 0.145 0.000 0.752 286 L CB -1.170 40.916 42.059 0.044 0.000 0.896 286 L HN 0.422 nan 8.230 nan 0.000 0.433 287 G N -0.131 108.760 108.800 0.152 0.000 2.402 287 G HA2 -0.183 3.777 3.960 0.000 0.000 0.216 287 G HA3 -0.183 3.777 3.960 0.000 0.000 0.216 287 G C 1.601 176.614 174.900 0.188 0.000 1.162 287 G CA 0.443 45.636 45.100 0.155 0.000 0.777 287 G HN 0.226 nan 8.290 nan 0.000 0.539 288 L N 0.010 121.311 121.223 0.129 0.000 2.027 288 L HA 0.024 4.364 4.340 0.000 0.000 0.206 288 L C 2.885 179.818 176.870 0.105 0.000 1.074 288 L CA 0.505 55.402 54.840 0.096 0.000 0.745 288 L CB -0.499 41.593 42.059 0.055 0.000 0.898 288 L HN 0.149 nan 8.230 nan 0.000 0.433 289 L N -0.561 120.747 121.223 0.142 0.000 2.129 289 L HA -0.288 4.052 4.340 0.000 0.000 0.212 289 L C 2.754 179.712 176.870 0.147 0.000 1.087 289 L CA 1.349 56.287 54.840 0.164 0.000 0.757 289 L CB -0.853 41.365 42.059 0.264 0.000 0.896 289 L HN 0.504 nan 8.230 nan 0.000 0.434 290 H N 0.069 119.188 119.070 0.081 0.000 2.307 290 H HA -0.098 4.458 4.556 0.000 0.000 0.303 290 H C 2.325 177.652 175.328 -0.002 0.000 1.073 290 H CA 0.878 56.928 56.048 0.002 0.000 1.338 290 H CB 0.209 29.983 29.762 0.020 0.000 1.389 290 H HN 0.092 nan 8.280 nan 0.000 0.503 291 R N 1.050 121.483 120.500 -0.112 0.000 2.196 291 R HA -0.174 4.166 4.340 0.000 0.000 0.227 291 R C 2.798 179.003 176.300 -0.158 0.000 1.108 291 R CA 1.555 57.563 56.100 -0.153 0.000 0.884 291 R CB -1.290 29.007 30.300 -0.004 0.000 0.839 291 R HN 0.462 nan 8.270 nan 0.000 0.431 292 I N 0.523 121.058 120.570 -0.059 0.000 2.130 292 I HA -0.408 3.762 4.170 0.000 0.000 0.241 292 I C 2.404 178.485 176.117 -0.061 0.000 1.023 292 I CA 2.135 63.413 61.300 -0.037 0.000 1.293 292 I CB -0.628 37.376 38.000 0.007 0.000 1.001 292 I HN 0.278 nan 8.210 nan 0.000 0.407 293 A N -0.072 122.701 122.820 -0.078 0.000 1.972 293 A HA -0.200 4.120 4.320 0.000 0.000 0.219 293 A C 2.350 179.861 177.584 -0.122 0.000 1.169 293 A CA 1.517 53.506 52.037 -0.080 0.000 0.635 293 A CB -0.424 18.526 19.000 -0.083 0.000 0.810 293 A HN 0.365 nan 8.150 nan 0.000 0.446 294 M N -0.656 118.819 119.600 -0.208 0.000 2.077 294 M HA -0.108 4.372 4.480 0.000 0.000 0.261 294 M C 2.262 178.495 176.300 -0.112 0.000 1.070 294 M CA 1.402 56.580 55.300 -0.203 0.000 1.125 294 M CB -1.030 31.372 32.600 -0.330 0.000 1.339 294 M HN 0.275 nan 8.290 nan 0.000 0.409 295 V N 0.753 120.610 119.914 -0.095 0.000 2.282 295 V HA -0.319 3.801 4.120 0.000 0.000 0.249 295 V C 2.265 178.334 176.094 -0.040 0.000 1.057 295 V CA 1.812 64.079 62.300 -0.055 0.000 1.032 295 V CB -1.083 30.716 31.823 -0.040 0.000 0.645 295 V HN 0.548 nan 8.190 nan 0.000 0.447 296 Q N -0.957 118.820 119.800 -0.039 0.000 2.325 296 Q HA -0.264 4.076 4.340 0.000 0.000 0.211 296 Q C 2.114 178.098 176.000 -0.026 0.000 0.988 296 Q CA 1.623 57.411 55.803 -0.025 0.000 0.887 296 Q CB -0.290 28.436 28.738 -0.020 0.000 0.915 296 Q HN 0.527 nan 8.270 nan 0.000 0.440 297 L N -0.184 121.017 121.223 -0.037 0.000 2.062 297 L HA -0.008 4.332 4.340 0.000 0.000 0.202 297 L C 0.765 177.621 176.870 -0.024 0.000 1.079 297 L CA 1.251 56.073 54.840 -0.031 0.000 0.755 297 L CB 0.213 42.249 42.059 -0.039 0.000 0.913 297 L HN 0.068 nan 8.230 nan 0.000 0.445 298 S N -2.335 113.349 115.700 -0.026 0.000 2.614 298 S HA 0.466 4.936 4.470 0.000 0.000 0.288 298 S C -2.081 172.507 174.600 -0.019 0.000 1.137 298 S CA -1.231 56.958 58.200 -0.019 0.000 0.992 298 S CB 1.432 64.623 63.200 -0.015 0.000 1.026 298 S HN -0.066 nan 8.310 nan 0.000 0.486 299 P HA -0.160 nan 4.420 nan 0.000 0.218 299 P C 1.331 178.624 177.300 -0.012 0.000 1.150 299 P CA 2.085 65.177 63.100 -0.013 0.000 0.841 299 P CB -0.041 31.654 31.700 -0.008 0.000 0.784 300 A N -0.866 121.947 122.820 -0.011 0.000 2.206 300 A HA 0.216 4.536 4.320 0.000 0.000 0.211 300 A C 2.095 179.674 177.584 -0.009 0.000 1.158 300 A CA 1.009 53.041 52.037 -0.008 0.000 0.761 300 A CB -1.040 17.957 19.000 -0.005 0.000 0.801 300 A HN 0.191 nan 8.150 nan 0.000 0.473 301 A N -0.732 122.079 122.820 -0.015 0.000 2.209 301 A HA 0.258 4.578 4.320 0.000 0.000 0.212 301 A C 0.928 178.502 177.584 -0.017 0.000 1.158 301 A CA 0.294 52.319 52.037 -0.019 0.000 0.742 301 A CB -0.497 18.481 19.000 -0.037 0.000 0.790 301 A HN 0.574 nan 8.150 nan 0.000 0.472 302 L N 0.456 121.670 121.223 -0.014 0.000 2.380 302 L HA 0.573 4.913 4.340 0.000 0.000 0.273 302 L C 0.778 177.649 176.870 0.002 0.000 1.138 302 L CA -0.056 54.780 54.840 -0.007 0.000 0.832 302 L CB 0.487 42.542 42.059 -0.007 0.000 1.124 302 L HN 0.141 nan 8.230 nan 0.000 0.454 303 G N 3.015 111.821 108.800 0.010 0.000 2.572 303 G HA2 0.062 4.022 3.960 0.000 0.000 0.261 303 G HA3 0.062 4.022 3.960 0.000 0.000 0.261 303 G C 0.658 175.563 174.900 0.009 0.000 1.197 303 G CA -0.439 44.668 45.100 0.012 0.000 0.870 303 G HN 0.813 nan 8.290 nan 0.000 0.548 304 N N 0.667 119.372 118.700 0.008 0.000 2.205 304 N HA -0.121 4.619 4.740 0.000 0.000 0.186 304 N C 1.576 177.091 175.510 0.007 0.000 1.015 304 N CA 1.336 54.390 53.050 0.006 0.000 0.862 304 N CB -0.013 38.478 38.487 0.006 0.000 0.986 304 N HN 0.641 nan 8.380 nan 0.000 0.429 305 D N 0.100 120.506 120.400 0.010 0.000 2.350 305 D HA -0.102 4.538 4.640 0.000 0.000 0.216 305 D C 1.389 177.695 176.300 0.010 0.000 0.968 305 D CA 0.600 54.606 54.000 0.010 0.000 0.894 305 D CB 0.006 40.815 40.800 0.014 0.000 0.909 305 D HN 0.324 nan 8.370 nan 0.000 0.520 306 M N 0.060 119.665 119.600 0.009 0.000 2.514 306 M HA 0.227 4.707 4.480 0.000 0.000 0.258 306 M C 2.301 178.604 176.300 0.005 0.000 1.159 306 M CA 0.114 55.419 55.300 0.009 0.000 1.116 306 M CB -0.278 32.328 32.600 0.010 0.000 1.333 306 M HN -0.034 nan 8.290 nan 0.000 0.487 307 A N 1.853 124.675 122.820 0.004 0.000 1.836 307 A HA -0.361 3.959 4.320 0.000 0.000 0.269 307 A C 2.309 179.894 177.584 0.002 0.000 2.597 307 A CA 3.370 55.408 52.037 0.002 0.000 0.810 307 A CB -1.447 17.554 19.000 0.002 0.000 0.833 307 A HN 0.554 nan 8.150 nan 0.000 0.542 308 A N -1.669 121.152 122.820 0.001 0.000 2.067 308 A HA 0.146 4.466 4.320 0.000 0.000 0.219 308 A C 2.038 179.623 177.584 0.000 0.000 1.158 308 A CA 1.525 53.562 52.037 0.000 0.000 0.661 308 A CB -0.450 18.550 19.000 -0.000 0.000 0.801 308 A HN 0.622 nan 8.150 nan 0.000 0.452 309 I N -0.429 120.142 120.570 0.001 0.000 3.462 309 I HA -0.108 4.062 4.170 0.000 0.000 0.290 309 I C 2.326 178.443 176.117 0.001 0.000 1.236 309 I CA 0.899 62.200 61.300 0.001 0.000 1.418 309 I CB -0.171 37.831 38.000 0.003 0.000 1.102 309 I HN 0.591 nan 8.210 nan 0.000 0.441 310 E N 1.328 121.529 120.200 0.001 0.000 2.219 310 E HA -0.276 4.074 4.350 0.000 0.000 0.198 310 E C 2.107 178.707 176.600 -0.000 0.000 0.998 310 E CA 1.244 57.645 56.400 0.001 0.000 0.818 310 E CB -0.315 29.385 29.700 0.001 0.000 0.741 310 E HN 0.310 nan 8.360 nan 0.000 0.477 311 L N 1.134 122.356 121.223 -0.001 0.000 2.083 311 L HA -0.078 4.262 4.340 0.000 0.000 0.209 311 L C 2.392 179.261 176.870 -0.001 0.000 1.083 311 L CA 1.666 56.506 54.840 -0.001 0.000 0.752 311 L CB -0.213 41.845 42.059 -0.001 0.000 0.899 311 L HN 0.080 nan 8.230 nan 0.000 0.433 312 R N -2.171 118.328 120.500 -0.002 0.000 2.173 312 R HA 0.038 4.378 4.340 0.000 0.000 0.208 312 R C 2.013 178.310 176.300 -0.004 0.000 1.035 312 R CA 0.561 56.659 56.100 -0.004 0.000 1.004 312 R CB -0.110 30.186 30.300 -0.006 0.000 0.917 312 R HN 0.306 nan 8.270 nan 0.000 0.462 313 M N 0.532 120.130 119.600 -0.002 0.000 2.081 313 M HA -0.077 4.403 4.480 0.000 0.000 0.261 313 M C 2.116 178.415 176.300 -0.001 0.000 1.075 313 M CA 1.571 56.870 55.300 -0.001 0.000 1.133 313 M CB -0.647 31.953 32.600 -0.001 0.000 1.330 313 M HN 0.008 nan 8.290 nan 0.000 0.414 314 R N 0.266 120.765 120.500 -0.002 0.000 2.117 314 R HA -0.154 4.186 4.340 0.000 0.000 0.243 314 R C 1.941 178.242 176.300 0.002 0.000 1.143 314 R CA 1.064 57.163 56.100 -0.001 0.000 0.968 314 R CB -0.709 29.590 30.300 -0.001 0.000 0.863 314 R HN 0.479 nan 8.270 nan 0.000 0.444 315 E N 1.031 121.232 120.200 0.002 0.000 2.012 315 E HA -0.150 4.200 4.350 0.000 0.000 0.197 315 E C 2.301 178.907 176.600 0.009 0.000 1.007 315 E CA 0.974 57.377 56.400 0.005 0.000 0.816 315 E CB -0.390 29.312 29.700 0.003 0.000 0.762 315 E HN 0.264 nan 8.360 nan 0.000 0.451 316 L N 0.730 121.957 121.223 0.006 0.000 2.089 316 L HA -0.276 4.064 4.340 0.000 0.000 0.213 316 L C 2.548 179.431 176.870 0.022 0.000 1.079 316 L CA 1.445 56.292 54.840 0.011 0.000 0.758 316 L CB -0.521 41.540 42.059 0.002 0.000 0.891 316 L HN 0.104 nan 8.230 nan 0.000 0.433 317 A N 0.106 122.934 122.820 0.013 0.000 1.851 317 A HA -0.245 4.075 4.320 0.000 0.000 0.216 317 A C 2.360 179.954 177.584 0.016 0.000 1.195 317 A CA 1.927 53.971 52.037 0.011 0.000 0.622 317 A CB -0.530 18.469 19.000 -0.001 0.000 0.831 317 A HN 0.348 nan 8.150 nan 0.000 0.444 318 R N -0.955 119.554 120.500 0.014 0.000 2.073 318 R HA -0.087 4.254 4.340 0.000 0.000 0.234 318 R C 2.376 178.691 176.300 0.027 0.000 1.134 318 R CA 1.970 58.080 56.100 0.016 0.000 0.952 318 R CB -0.889 29.419 30.300 0.012 0.000 0.850 318 R HN 0.583 nan 8.270 nan 0.000 0.433 319 T N 1.557 116.130 114.554 0.032 0.000 2.668 319 T HA 0.008 4.358 4.350 0.000 0.000 0.262 319 T C 1.137 175.876 174.700 0.065 0.000 1.045 319 T CA 0.786 62.913 62.100 0.046 0.000 1.152 319 T CB -0.085 68.810 68.868 0.045 0.000 0.864 319 T HN 0.045 nan 8.240 nan 0.000 0.419 320 I N 3.642 124.257 120.570 0.074 0.000 2.496 320 I HA 0.214 4.384 4.170 0.000 0.000 0.285 320 I C -2.492 173.679 176.117 0.090 0.000 1.080 320 I CA -2.397 58.969 61.300 0.110 0.000 1.404 320 I CB 0.428 38.513 38.000 0.141 0.000 1.403 320 I HN 0.025 nan 8.210 nan 0.000 0.539 321 P HA 0.184 nan 4.420 nan 0.000 0.271 321 P C -2.152 175.180 177.300 0.053 0.000 1.216 321 P CA -1.395 61.738 63.100 0.054 0.000 0.776 321 P CB 0.167 31.890 31.700 0.039 0.000 0.881 322 P HA -0.207 nan 4.420 nan 0.000 0.216 322 P C 1.474 178.788 177.300 0.023 0.000 1.157 322 P CA 2.047 65.162 63.100 0.025 0.000 0.880 322 P CB -0.452 31.252 31.700 0.006 0.000 0.791 323 T N -0.464 114.094 114.554 0.007 0.000 2.653 323 T HA -0.190 4.160 4.350 0.000 0.000 0.268 323 T C 1.269 175.958 174.700 -0.018 0.000 1.035 323 T CA 1.964 64.057 62.100 -0.010 0.000 1.154 323 T CB -1.094 67.758 68.868 -0.026 0.000 0.862 323 T HN 0.158 nan 8.240 nan 0.000 0.441 324 D N 0.270 120.663 120.400 -0.012 0.000 2.312 324 D HA 0.099 4.739 4.640 0.000 0.000 0.211 324 D C 1.942 178.235 176.300 -0.012 0.000 0.964 324 D CA 0.339 54.300 54.000 -0.064 0.000 0.877 324 D CB -0.144 40.647 40.800 -0.015 0.000 0.924 324 D HN 0.387 nan 8.370 nan 0.000 0.515 325 I N 0.500 121.149 120.570 0.131 0.000 2.584 325 I HA -0.165 4.005 4.170 0.000 0.000 0.255 325 I C 2.144 178.398 176.117 0.228 0.000 1.145 325 I CA 0.574 62.030 61.300 0.260 0.000 1.462 325 I CB 0.069 38.177 38.000 0.180 0.000 1.102 325 I HN -0.078 nan 8.210 nan 0.000 0.433 326 Q N 0.620 120.497 119.800 0.129 0.000 2.124 326 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 326 Q C 2.332 178.446 176.000 0.189 0.000 0.977 326 Q CA 1.297 57.184 55.803 0.141 0.000 0.850 326 Q CB -0.213 28.564 28.738 0.065 0.000 0.901 326 Q HN 0.531 nan 8.270 nan 0.000 0.429 327 L N -0.775 120.513 121.223 0.108 0.000 2.141 327 L HA -0.169 4.171 4.340 0.000 0.000 0.209 327 L C 2.160 179.224 176.870 0.322 0.000 1.094 327 L CA 0.942 55.870 54.840 0.147 0.000 0.763 327 L CB -0.524 41.506 42.059 -0.048 0.000 0.908 327 L HN 0.180 nan 8.230 nan 0.000 0.437 328 Y N -0.974 119.517 120.300 0.319 0.000 2.163 328 Y HA -0.291 4.259 4.550 0.000 0.000 0.288 328 Y C 2.590 178.589 175.900 0.166 0.000 1.136 328 Y CA 1.276 59.496 58.100 0.200 0.000 1.147 328 Y CB -1.049 37.502 38.460 0.151 0.000 0.987 328 Y HN 0.077 nan 8.280 nan 0.000 0.509 329 Y N 0.910 121.356 120.300 0.243 0.000 2.070 329 Y HA -0.359 4.191 4.550 0.000 0.000 0.279 329 Y C 2.740 178.713 175.900 0.121 0.000 1.134 329 Y CA 2.248 60.441 58.100 0.154 0.000 1.113 329 Y CB -0.799 37.741 38.460 0.133 0.000 0.981 329 Y HN 0.163 nan 8.280 nan 0.000 0.487 330 Q N -0.126 119.837 119.800 0.272 0.000 2.124 330 Q HA -0.278 4.062 4.340 0.000 0.000 0.215 330 Q C 2.061 178.090 176.000 0.048 0.000 1.015 330 Q CA 3.538 59.423 55.803 0.137 0.000 0.890 330 Q CB -0.746 28.105 28.738 0.188 0.000 0.966 330 Q HN 0.562 nan 8.270 nan 0.000 0.412 331 T N 0.286 114.904 114.554 0.108 0.000 2.904 331 T HA 0.015 4.365 4.350 0.000 0.000 0.267 331 T C 1.533 176.228 174.700 -0.009 0.000 1.059 331 T CA 1.130 63.272 62.100 0.069 0.000 1.137 331 T CB -0.046 68.873 68.868 0.084 0.000 0.879 331 T HN 0.245 nan 8.240 nan 0.000 0.467 332 L N 0.504 121.707 121.223 -0.033 0.000 2.313 332 L HA 0.103 4.443 4.340 0.000 0.000 0.214 332 L C 2.312 179.109 176.870 -0.122 0.000 1.119 332 L CA 0.334 55.132 54.840 -0.069 0.000 0.809 332 L CB -0.543 41.483 42.059 -0.055 0.000 0.933 332 L HN 0.234 nan 8.230 nan 0.000 0.449 333 L N 0.848 121.944 121.223 -0.211 0.000 1.988 333 L HA -0.134 4.206 4.340 0.000 0.000 0.207 333 L C 2.347 179.150 176.870 -0.112 0.000 1.071 333 L CA 1.727 56.424 54.840 -0.237 0.000 0.744 333 L CB -0.616 41.215 42.059 -0.380 0.000 0.893 333 L HN 0.058 nan 8.230 nan 0.000 0.433 334 I N 0.029 120.553 120.570 -0.077 0.000 2.236 334 I HA -0.300 3.870 4.170 0.000 0.000 0.249 334 I C 2.374 178.467 176.117 -0.039 0.000 1.102 334 I CA 1.448 62.721 61.300 -0.044 0.000 1.365 334 I CB -1.047 36.941 38.000 -0.019 0.000 1.051 334 I HN 0.497 nan 8.210 nan 0.000 0.420 335 G N 0.459 109.235 108.800 -0.041 0.000 2.394 335 G HA2 -0.239 3.721 3.960 0.000 0.000 0.215 335 G HA3 -0.239 3.721 3.960 0.000 0.000 0.215 335 G C 1.749 176.639 174.900 -0.016 0.000 1.165 335 G CA 0.552 45.634 45.100 -0.030 0.000 0.784 335 G HN 0.321 nan 8.290 nan 0.000 0.535 336 R N 0.924 121.412 120.500 -0.021 0.000 2.081 336 R HA -0.090 4.251 4.340 0.000 0.000 0.235 336 R C 2.418 178.730 176.300 0.020 0.000 1.131 336 R CA 1.937 58.039 56.100 0.004 0.000 0.960 336 R CB -0.371 29.921 30.300 -0.013 0.000 0.856 336 R HN 0.376 nan 8.270 nan 0.000 0.436 337 K N 0.662 121.060 120.400 -0.005 0.000 2.032 337 K HA -0.179 4.141 4.320 0.000 0.000 0.209 337 K C 1.231 177.836 176.600 0.009 0.000 1.048 337 K CA 2.114 58.398 56.287 -0.004 0.000 0.927 337 K CB -0.032 32.445 32.500 -0.039 0.000 0.712 337 K HN 0.292 nan 8.250 nan 0.000 0.441 338 E N 0.414 120.610 120.200 -0.008 0.000 2.445 338 E HA -0.042 4.308 4.350 0.000 0.000 0.189 338 E C 1.300 177.978 176.600 0.128 0.000 1.069 338 E CA -0.297 56.103 56.400 -0.001 0.000 0.871 338 E CB 0.215 29.887 29.700 -0.046 0.000 0.991 338 E HN 0.223 nan 8.360 nan 0.000 0.481 339 L N 1.802 123.098 121.223 0.122 0.000 1.976 339 L HA -0.081 4.259 4.340 0.000 0.000 0.209 339 L C -1.106 175.843 176.870 0.133 0.000 1.071 339 L CA 2.064 56.963 54.840 0.098 0.000 0.746 339 L CB -0.969 41.133 42.059 0.071 0.000 0.890 339 L HN 0.010 nan 8.230 nan 0.000 0.432 340 P HA -0.053 nan 4.420 nan 0.000 0.247 340 P C 0.214 177.413 177.300 -0.169 0.000 1.225 340 P CA 1.059 64.159 63.100 0.001 0.000 0.768 340 P CB -0.132 31.535 31.700 -0.055 0.000 1.020 341 Y N -0.821 119.474 120.300 -0.008 0.000 2.507 341 Y HA 0.380 4.930 4.550 0.000 0.000 0.263 341 Y C 1.550 177.440 175.900 -0.016 0.000 1.093 341 Y CA -0.499 57.596 58.100 -0.009 0.000 1.285 341 Y CB -0.676 37.780 38.460 -0.007 0.000 1.115 341 Y HN -0.176 nan 8.280 nan 0.000 0.533 342 A N 1.123 124.000 122.820 0.096 0.000 2.351 342 A HA 0.266 4.586 4.320 0.000 0.000 0.257 342 A C -1.369 176.209 177.584 -0.010 0.000 1.087 342 A CA -1.100 50.955 52.037 0.030 0.000 0.798 342 A CB -0.104 18.895 19.000 -0.001 0.000 1.033 342 A HN 0.105 nan 8.150 nan 0.000 0.488 343 P HA -0.069 nan 4.420 nan 0.000 0.218 343 P C -0.155 177.123 177.300 -0.036 0.000 1.146 343 P CA 1.437 64.522 63.100 -0.025 0.000 0.813 343 P CB 0.140 31.826 31.700 -0.022 0.000 0.778 344 D N -2.989 117.378 120.400 -0.056 0.000 2.533 344 D HA 0.228 4.869 4.640 0.000 0.000 0.247 344 D C 1.197 177.443 176.300 -0.091 0.000 1.056 344 D CA -0.685 53.277 54.000 -0.064 0.000 1.054 344 D CB 1.225 41.967 40.800 -0.096 0.000 1.400 344 D HN -0.173 nan 8.370 nan 0.000 0.533 345 R N 0.185 120.639 120.500 -0.076 0.000 2.075 345 R HA 0.027 4.367 4.340 0.000 0.000 0.226 345 R C 2.004 177.996 176.300 -0.514 0.000 1.114 345 R CA 0.506 56.532 56.100 -0.123 0.000 0.972 345 R CB 0.086 30.468 30.300 0.135 0.000 0.869 345 R HN 0.327 nan 8.270 nan 0.000 0.437 346 R N 1.420 121.498 120.500 -0.704 0.000 2.080 346 R HA -0.126 4.214 4.340 0.000 0.000 0.236 346 R C 2.318 178.252 176.300 -0.610 0.000 1.137 346 R CA 1.788 57.241 56.100 -1.079 0.000 0.943 346 R CB -0.272 29.672 30.300 -0.594 0.000 0.846 346 R HN 0.146 nan 8.270 nan 0.000 0.431 347 M N 0.017 119.418 119.600 -0.332 0.000 2.260 347 M HA -0.126 4.355 4.480 0.000 0.000 0.261 347 M C 1.815 177.993 176.300 -0.203 0.000 1.066 347 M CA 2.120 57.290 55.300 -0.218 0.000 1.082 347 M CB -0.209 32.314 32.600 -0.129 0.000 1.388 347 M HN 0.417 nan 8.290 nan 0.000 0.419 348 G N -0.888 107.782 108.800 -0.216 0.000 2.394 348 G HA2 -0.124 3.836 3.960 0.000 0.000 0.215 348 G HA3 -0.124 3.836 3.960 0.000 0.000 0.215 348 G C 1.260 176.062 174.900 -0.162 0.000 1.165 348 G CA 0.785 45.798 45.100 -0.145 0.000 0.784 348 G HN 0.392 nan 8.290 nan 0.000 0.535 349 V N 0.824 120.580 119.914 -0.262 0.000 2.490 349 V HA -0.159 3.961 4.120 0.000 0.000 0.250 349 V C 2.602 178.583 176.094 -0.188 0.000 1.061 349 V CA 2.029 64.198 62.300 -0.219 0.000 1.064 349 V CB -0.444 31.192 31.823 -0.312 0.000 0.670 349 V HN 0.454 nan 8.190 nan 0.000 0.461 350 E N 0.030 120.093 120.200 -0.228 0.000 2.072 350 E HA -0.160 4.190 4.350 0.000 0.000 0.190 350 E C 2.263 178.798 176.600 -0.108 0.000 0.982 350 E CA 1.405 57.711 56.400 -0.157 0.000 0.803 350 E CB -0.187 29.416 29.700 -0.163 0.000 0.755 350 E HN 0.587 nan 8.360 nan 0.000 0.453 351 M N 0.166 119.704 119.600 -0.102 0.000 2.200 351 M HA -0.076 4.405 4.480 0.000 0.000 0.265 351 M C 2.291 178.550 176.300 -0.067 0.000 1.066 351 M CA 1.111 56.369 55.300 -0.070 0.000 1.127 351 M CB -0.474 32.092 32.600 -0.057 0.000 1.379 351 M HN -0.019 nan 8.290 nan 0.000 0.420 352 T N 1.823 116.331 114.554 -0.076 0.000 2.737 352 T HA -0.011 4.339 4.350 0.000 0.000 0.265 352 T C 1.958 176.606 174.700 -0.086 0.000 1.038 352 T CA 1.116 63.174 62.100 -0.070 0.000 1.144 352 T CB -0.176 68.655 68.868 -0.061 0.000 0.866 352 T HN 0.293 nan 8.240 nan 0.000 0.434 353 L N 0.410 121.582 121.223 -0.085 0.000 2.044 353 L HA 0.020 4.360 4.340 0.000 0.000 0.205 353 L C 2.541 179.355 176.870 -0.094 0.000 1.075 353 L CA 0.947 55.733 54.840 -0.090 0.000 0.747 353 L CB -0.639 41.376 42.059 -0.073 0.000 0.903 353 L HN 0.258 nan 8.230 nan 0.000 0.435 354 L N -0.150 121.028 121.223 -0.075 0.000 2.034 354 L HA -0.330 4.010 4.340 0.000 0.000 0.217 354 L C 2.880 179.709 176.870 -0.069 0.000 1.077 354 L CA 1.679 56.483 54.840 -0.059 0.000 0.769 354 L CB -0.539 41.493 42.059 -0.046 0.000 0.890 354 L HN 0.323 nan 8.230 nan 0.000 0.435 355 R N -0.091 120.358 120.500 -0.085 0.000 2.081 355 R HA -0.172 4.168 4.340 0.000 0.000 0.235 355 R C 2.290 178.429 176.300 -0.270 0.000 1.131 355 R CA 1.489 57.533 56.100 -0.094 0.000 0.960 355 R CB -0.243 30.019 30.300 -0.063 0.000 0.856 355 R HN 0.361 nan 8.270 nan 0.000 0.436 356 A N 0.921 123.526 122.820 -0.357 0.000 1.969 356 A HA -0.111 4.209 4.320 0.000 0.000 0.218 356 A C 1.950 179.292 177.584 -0.404 0.000 1.169 356 A CA 0.782 52.438 52.037 -0.635 0.000 0.635 356 A CB -0.451 18.385 19.000 -0.274 0.000 0.810 356 A HN 0.311 nan 8.150 nan 0.000 0.445 357 L N -0.042 121.083 121.223 -0.164 0.000 1.955 357 L HA -0.086 4.254 4.340 0.000 0.000 0.213 357 L C 2.343 179.257 176.870 0.074 0.000 1.072 357 L CA 2.077 56.900 54.840 -0.029 0.000 0.755 357 L CB -1.230 40.815 42.059 -0.024 0.000 0.888 357 L HN 0.362 nan 8.230 nan 0.000 0.432 358 A N -1.655 121.209 122.820 0.074 0.000 2.478 358 A HA -0.011 4.309 4.320 0.000 0.000 0.239 358 A C 1.628 179.436 177.584 0.374 0.000 1.480 358 A CA 0.118 52.260 52.037 0.175 0.000 1.308 358 A CB -1.293 17.783 19.000 0.127 0.000 0.899 358 A HN 0.492 nan 8.150 nan 0.000 0.600 359 F N -2.119 117.909 119.950 0.130 0.000 2.383 359 F HA -0.005 4.522 4.527 -0.000 0.000 0.287 359 F C 2.234 178.099 175.800 0.109 0.000 1.069 359 F CA 0.399 58.441 58.000 0.070 0.000 1.402 359 F CB -0.279 38.709 39.000 -0.021 0.000 1.116 359 F HN 0.641 nan 8.300 nan 0.000 0.549 360 H N 1.165 120.418 119.070 0.304 0.000 2.278 360 H HA -0.188 4.368 4.556 0.000 0.000 0.287 360 H C -1.593 173.805 175.328 0.117 0.000 1.107 360 H CA 1.182 57.360 56.048 0.216 0.000 1.192 360 H CB -1.415 28.454 29.762 0.177 0.000 1.346 360 H HN 0.043 nan 8.280 nan 0.000 0.478 361 P HA 0.209 nan 4.420 nan 0.000 0.292 361 P C 0.002 177.242 177.300 -0.100 0.000 1.287 361 P CA -0.179 62.792 63.100 -0.215 0.000 0.800 361 P CB 1.540 33.132 31.700 -0.180 0.000 0.945 362 R N 1.821 122.257 120.500 -0.108 0.000 2.043 362 R HA 0.315 4.655 4.340 0.000 0.000 0.221 362 R C 0.399 176.657 176.300 -0.070 0.000 1.196 362 R CA 0.919 56.969 56.100 -0.085 0.000 0.949 362 R CB 0.004 30.259 30.300 -0.075 0.000 0.838 362 R HN 0.456 nan 8.270 nan 0.000 0.446 363 M N 0.000 119.563 119.600 -0.062 0.000 2.572 363 M HA 0.000 4.480 4.480 0.000 0.000 0.227 363 M CA 0.000 55.271 55.300 -0.048 0.000 0.988 363 M CB 0.000 32.575 32.600 -0.042 0.000 1.302 363 M HN 0.000 nan 8.290 nan 0.000 0.411