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 2cv9_1_B DATA FIRST_RESID 2 DATA SEQUENCE RVLFIGDVXA EPGLRAVGLH LPDIRDRYDL VIANGENAAR GKGLDRRSYR DATA SEQUENCE LLREAGVDLV SLGNHAWDHK EVYALLESEP VVRPLNYPPG TPGKGFWRLE DATA SEQUENCE VGGESLLFVQ VXGRIFXDPL DDPFRALDRL LEEEKADYVL VEVHAEATSE DATA SEQUENCE KXALAHYLDG RASAVLGTHT HVPTLDATRL PKGTLYQTDV GXTGTYHSII DATA SEQUENCE GGEVETFLAR FLTGRPQPFR AAQGKARFHA TELVFEGGRP VAISPYVWEE DATA SEQUENCE P 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.306 176.300 0.010 0.000 0.893 2 R CA 0.000 56.077 56.100 -0.038 0.000 0.921 2 R CB 0.000 30.312 30.300 0.020 0.000 0.687 3 V N 4.033 123.864 119.914 -0.139 0.000 2.459 3 V HA 0.497 4.617 4.120 -0.001 0.000 0.295 3 V C 0.146 176.121 176.094 -0.199 0.000 1.029 3 V CA -0.849 61.365 62.300 -0.143 0.000 0.874 3 V CB 2.325 34.044 31.823 -0.173 0.000 0.985 3 V HN 0.504 nan 8.190 nan 0.000 0.438 4 L N 5.403 126.425 121.223 -0.335 0.000 2.298 4 L HA 0.562 4.901 4.340 -0.001 0.000 0.284 4 L C -1.495 175.228 176.870 -0.245 0.000 1.013 4 L CA -0.436 54.105 54.840 -0.498 0.000 0.824 4 L CB 1.275 42.646 42.059 -1.145 0.000 1.221 4 L HN 0.688 nan 8.230 nan 0.000 0.418 5 F N 6.530 126.351 119.950 -0.215 0.000 2.361 5 F HA 0.466 4.993 4.527 -0.001 0.000 0.364 5 F C -0.045 175.668 175.800 -0.145 0.000 1.117 5 F CA -0.706 57.207 58.000 -0.145 0.000 1.071 5 F CB 0.790 39.760 39.000 -0.050 0.000 1.188 5 F HN 0.276 nan 8.300 nan 0.000 0.464 6 I N 6.229 126.561 120.570 -0.396 0.000 2.337 6 I HA 0.236 4.406 4.170 -0.001 0.000 0.291 6 I C 1.096 177.117 176.117 -0.159 0.000 1.046 6 I CA -0.412 60.701 61.300 -0.313 0.000 1.324 6 I CB 0.378 38.138 38.000 -0.399 0.000 1.409 6 I HN 0.716 nan 8.210 nan 0.000 0.494 7 G N 4.229 113.080 108.800 0.085 0.000 2.491 7 G HA2 0.026 3.985 3.960 -0.001 0.000 0.242 7 G HA3 0.026 3.985 3.960 -0.001 0.000 0.242 7 G C -0.183 174.780 174.900 0.106 0.000 1.266 7 G CA -0.556 44.681 45.100 0.228 0.000 0.844 7 G HN 0.706 nan 8.290 nan 0.000 0.571 8 D N 0.302 120.818 120.400 0.193 0.000 7.216 8 D HA -0.095 4.544 4.640 -0.001 0.000 0.166 8 D C 1.157 177.466 176.300 0.016 0.000 1.310 8 D CA 0.463 54.550 54.000 0.145 0.000 0.825 8 D CB -0.251 40.718 40.800 0.282 0.000 1.567 8 D HN 0.119 nan 8.370 nan 0.000 0.908 12 E N 0.913 121.136 120.200 0.038 0.000 2.077 12 E HA -0.011 4.338 4.350 -0.001 0.000 0.193 12 E C -1.211 175.415 176.600 0.042 0.000 0.989 12 E CA 2.359 58.781 56.400 0.036 0.000 0.800 12 E CB -1.291 28.430 29.700 0.036 0.000 0.746 12 E HN 0.455 nan 8.360 nan 0.000 0.452 13 P HA -0.102 nan 4.420 nan 0.000 0.215 13 P C 1.548 178.895 177.300 0.077 0.000 1.157 13 P CA 1.890 65.026 63.100 0.059 0.000 0.863 13 P CB -0.238 31.488 31.700 0.042 0.000 0.787 14 G N 0.129 108.957 108.800 0.048 0.000 2.459 14 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.217 14 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.217 14 G C 1.433 176.378 174.900 0.076 0.000 1.183 14 G CA 0.616 45.750 45.100 0.057 0.000 0.776 14 G HN 0.121 nan 8.290 nan 0.000 0.552 15 L N 0.706 121.956 121.223 0.044 0.000 2.013 15 L HA -0.038 4.302 4.340 -0.001 0.000 0.212 15 L C 2.801 179.706 176.870 0.059 0.000 1.073 15 L CA 1.748 56.607 54.840 0.033 0.000 0.753 15 L CB -1.027 41.039 42.059 0.012 0.000 0.890 15 L HN 0.251 nan 8.230 nan 0.000 0.432 16 R N -0.798 119.748 120.500 0.076 0.000 2.080 16 R HA -0.212 4.127 4.340 -0.001 0.000 0.236 16 R C 2.135 178.523 176.300 0.147 0.000 1.137 16 R CA 1.713 57.870 56.100 0.094 0.000 0.943 16 R CB -0.268 30.092 30.300 0.100 0.000 0.846 16 R HN 0.389 nan 8.270 nan 0.000 0.431 17 A N 0.192 123.144 122.820 0.221 0.000 1.908 17 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 17 A C 2.301 180.064 177.584 0.298 0.000 1.181 17 A CA 1.881 54.141 52.037 0.373 0.000 0.627 17 A CB -0.596 18.683 19.000 0.465 0.000 0.818 17 A HN 0.259 nan 8.150 nan 0.000 0.445 18 V N -0.285 119.788 119.914 0.265 0.000 2.358 18 V HA -0.126 3.993 4.120 -0.001 0.000 0.246 18 V C 2.806 178.911 176.094 0.019 0.000 1.047 18 V CA 1.827 64.262 62.300 0.225 0.000 1.035 18 V CB -1.439 30.476 31.823 0.153 0.000 0.658 18 V HN 0.612 nan 8.190 nan 0.000 0.452 19 G N -0.040 108.765 108.800 0.008 0.000 2.418 19 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.217 19 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.217 19 G C 1.454 176.308 174.900 -0.076 0.000 1.158 19 G CA 0.905 45.979 45.100 -0.042 0.000 0.771 19 G HN 0.379 nan 8.290 nan 0.000 0.545 20 L N -0.477 120.713 121.223 -0.055 0.000 2.023 20 L HA 0.086 4.426 4.340 -0.001 0.000 0.205 20 L C 2.420 179.133 176.870 -0.261 0.000 1.073 20 L CA 1.583 56.371 54.840 -0.087 0.000 0.745 20 L CB -1.178 40.903 42.059 0.037 0.000 0.900 20 L HN 0.352 nan 8.230 nan 0.000 0.435 21 H N -1.259 117.432 119.070 -0.631 0.000 2.355 21 H HA -0.045 4.511 4.556 -0.001 0.000 0.303 21 H C 2.195 177.077 175.328 -0.743 0.000 1.061 21 H CA 0.862 56.301 56.048 -1.016 0.000 1.368 21 H CB 0.413 29.044 29.762 -1.885 0.000 1.412 21 H HN 0.135 nan 8.280 nan 0.000 0.523 22 L N 1.865 122.683 121.223 -0.675 0.000 2.043 22 L HA -0.094 4.245 4.340 -0.001 0.000 0.212 22 L C -1.030 175.595 176.870 -0.408 0.000 1.075 22 L CA 1.637 56.155 54.840 -0.537 0.000 0.752 22 L CB -1.120 40.805 42.059 -0.225 0.000 0.891 22 L HN 0.192 nan 8.230 nan 0.000 0.432 23 P HA -0.115 nan 4.420 nan 0.000 0.219 23 P C 0.887 178.034 177.300 -0.254 0.000 1.146 23 P CA 1.429 64.389 63.100 -0.233 0.000 0.808 23 P CB -0.049 31.543 31.700 -0.180 0.000 0.779 24 D N -1.057 119.130 120.400 -0.354 0.000 2.224 24 D HA -0.073 4.566 4.640 -0.001 0.000 0.205 24 D C 1.581 177.692 176.300 -0.315 0.000 0.965 24 D CA 0.920 54.730 54.000 -0.317 0.000 0.852 24 D CB -0.140 40.453 40.800 -0.345 0.000 0.947 24 D HN 0.258 nan 8.370 nan 0.000 0.494 25 I N -1.970 118.360 120.570 -0.401 0.000 4.227 25 I HA 0.263 4.432 4.170 -0.001 0.000 0.334 25 I C 1.810 177.842 176.117 -0.142 0.000 1.341 25 I CA -0.027 61.105 61.300 -0.279 0.000 1.123 25 I CB -0.178 37.635 38.000 -0.312 0.000 1.097 25 I HN -0.246 nan 8.210 nan 0.000 0.399 26 R N 2.731 123.151 120.500 -0.133 0.000 2.153 26 R HA -0.231 4.109 4.340 -0.001 0.000 0.252 26 R C 1.430 177.707 176.300 -0.038 0.000 1.158 26 R CA 2.523 58.604 56.100 -0.031 0.000 0.975 26 R CB -0.607 29.638 30.300 -0.092 0.000 0.871 26 R HN 0.365 nan 8.270 nan 0.000 0.450 27 D N -0.280 120.051 120.400 -0.115 0.000 2.221 27 D HA -0.156 4.483 4.640 -0.001 0.000 0.204 27 D C 1.560 177.735 176.300 -0.208 0.000 0.982 27 D CA 1.202 55.123 54.000 -0.132 0.000 0.857 27 D CB -0.171 40.552 40.800 -0.128 0.000 0.934 27 D HN 0.403 nan 8.370 nan 0.000 0.475 28 R N -0.827 119.450 120.500 -0.372 0.000 2.307 28 R HA 0.034 4.373 4.340 -0.001 0.000 0.199 28 R C -0.002 175.775 176.300 -0.871 0.000 1.000 28 R CA 0.406 56.100 56.100 -0.675 0.000 1.023 28 R CB 0.068 29.787 30.300 -0.968 0.000 0.908 28 R HN 0.275 nan 8.270 nan 0.000 0.473 29 Y N -1.258 118.971 120.300 -0.118 0.000 2.576 29 Y HA 0.232 4.782 4.550 -0.001 0.000 0.346 29 Y C 0.597 176.445 175.900 -0.088 0.000 1.018 29 Y CA -1.288 56.746 58.100 -0.111 0.000 1.050 29 Y CB 1.363 39.745 38.460 -0.131 0.000 1.280 29 Y HN -0.239 nan 8.280 nan 0.000 0.474 30 D N 0.535 120.986 120.400 0.085 0.000 2.301 30 D HA 0.122 4.761 4.640 -0.001 0.000 0.206 30 D C -0.409 175.916 176.300 0.041 0.000 0.979 30 D CA 1.175 55.201 54.000 0.043 0.000 0.874 30 D CB 0.694 41.517 40.800 0.038 0.000 0.968 30 D HN 0.118 nan 8.370 nan 0.000 0.510 31 L N 0.432 121.679 121.223 0.041 0.000 2.445 31 L HA 0.384 4.724 4.340 -0.001 0.000 0.262 31 L C -0.916 175.901 176.870 -0.088 0.000 0.974 31 L CA -1.021 53.813 54.840 -0.011 0.000 0.822 31 L CB 2.596 44.665 42.059 0.017 0.000 1.339 31 L HN -0.355 nan 8.230 nan 0.000 0.409 32 V N 4.591 124.416 119.914 -0.147 0.000 2.525 32 V HA 0.574 4.693 4.120 -0.001 0.000 0.299 32 V C -0.395 175.519 176.094 -0.301 0.000 1.034 32 V CA -0.447 61.707 62.300 -0.243 0.000 0.863 32 V CB 2.058 33.741 31.823 -0.234 0.000 0.999 32 V HN 0.523 nan 8.190 nan 0.000 0.423 33 I N 3.945 124.280 120.570 -0.392 0.000 2.465 33 I HA 0.863 5.033 4.170 -0.001 0.000 0.291 33 I C 0.052 175.674 176.117 -0.824 0.000 1.014 33 I CA -0.594 60.355 61.300 -0.585 0.000 1.093 33 I CB 2.062 39.689 38.000 -0.622 0.000 1.267 33 I HN 0.681 nan 8.210 nan 0.000 0.431 34 A N 4.549 126.931 122.820 -0.731 0.000 2.449 34 A HA 0.523 4.842 4.320 -0.001 0.000 0.302 34 A C -0.986 176.284 177.584 -0.522 0.000 1.048 34 A CA -0.708 50.918 52.037 -0.685 0.000 0.708 34 A CB 1.452 20.209 19.000 -0.405 0.000 1.274 34 A HN 0.792 nan 8.150 nan 0.000 0.410 35 N N 1.039 119.500 118.700 -0.398 0.000 2.422 35 N HA 0.459 5.199 4.740 -0.001 0.000 0.264 35 N C 0.644 176.097 175.510 -0.096 0.000 1.063 35 N CA 0.397 53.374 53.050 -0.123 0.000 0.959 35 N CB 0.832 39.394 38.487 0.125 0.000 1.087 35 N HN 0.686 nan 8.380 nan 0.000 0.483 36 G N 2.587 111.330 108.800 -0.095 0.000 3.993 36 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.294 36 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.294 36 G C 0.656 175.520 174.900 -0.060 0.000 1.043 36 G CA -0.330 44.724 45.100 -0.077 0.000 0.839 36 G HN 0.740 nan 8.290 nan 0.000 0.516 37 E N 0.853 121.029 120.200 -0.040 0.000 2.110 37 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 37 E C 1.173 177.793 176.600 0.033 0.000 0.988 37 E CA 0.831 57.214 56.400 -0.028 0.000 0.804 37 E CB 0.106 29.797 29.700 -0.015 0.000 0.745 37 E HN 0.322 nan 8.360 nan 0.000 0.458 38 N N -0.289 118.442 118.700 0.052 0.000 2.230 38 N HA 0.100 4.839 4.740 -0.001 0.000 0.202 38 N C 1.146 176.650 175.510 -0.011 0.000 1.119 38 N CA 0.582 53.646 53.050 0.025 0.000 0.851 38 N CB 0.752 39.257 38.487 0.031 0.000 0.990 38 N HN 0.131 nan 8.380 nan 0.000 0.497 39 A N 1.161 123.968 122.820 -0.021 0.000 1.958 39 A HA -0.053 4.266 4.320 -0.001 0.000 0.221 39 A C 1.345 178.918 177.584 -0.018 0.000 1.178 39 A CA 1.556 53.577 52.037 -0.028 0.000 0.642 39 A CB -0.313 18.660 19.000 -0.045 0.000 0.816 39 A HN 0.262 nan 8.150 nan 0.000 0.453 40 A N -1.370 121.439 122.820 -0.018 0.000 2.621 40 A HA 0.588 4.908 4.320 -0.001 0.000 0.329 40 A C 0.820 178.435 177.584 0.053 0.000 1.458 40 A CA -0.197 51.841 52.037 0.002 0.000 1.052 40 A CB -0.291 18.692 19.000 -0.029 0.000 1.142 40 A HN 0.465 nan 8.150 nan 0.000 0.523 41 R N 0.644 121.185 120.500 0.069 0.000 4.000 41 R HA -0.248 4.092 4.340 -0.001 0.000 0.362 41 R C 1.204 177.619 176.300 0.191 0.000 1.183 41 R CA 1.938 58.113 56.100 0.124 0.000 1.011 41 R CB -1.829 28.553 30.300 0.136 0.000 1.501 41 R HN 2.326 nan 8.270 nan 0.000 0.553 42 G N -1.535 107.321 108.800 0.093 0.000 2.175 42 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.244 42 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.244 42 G C -0.260 174.501 174.900 -0.232 0.000 0.982 42 G CA 0.370 45.475 45.100 0.007 0.000 0.641 42 G HN 0.134 nan 8.290 nan 0.000 0.527 43 K N 0.612 120.930 120.400 -0.138 0.000 2.701 43 K HA 0.600 4.919 4.320 -0.001 0.000 0.212 43 K C 0.650 177.206 176.600 -0.074 0.000 1.035 43 K CA 0.275 56.428 56.287 -0.222 0.000 1.048 43 K CB 0.910 33.295 32.500 -0.192 0.000 1.234 43 K HN 1.660 nan 8.250 nan 0.000 0.540 44 G N 1.558 110.319 108.800 -0.066 0.000 2.548 44 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.208 44 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.208 44 G C -1.631 173.237 174.900 -0.054 0.000 1.308 44 G CA -0.864 44.215 45.100 -0.034 0.000 0.924 44 G HN 0.387 nan 8.290 nan 0.000 0.540 45 L N 1.758 122.927 121.223 -0.091 0.000 2.439 45 L HA 0.580 4.919 4.340 -0.001 0.000 0.270 45 L C -0.835 175.907 176.870 -0.214 0.000 0.972 45 L CA -0.396 54.367 54.840 -0.130 0.000 0.836 45 L CB 1.354 43.331 42.059 -0.137 0.000 1.255 45 L HN 1.089 nan 8.230 nan 0.000 0.404 46 D N 3.257 123.486 120.400 -0.285 0.000 2.592 46 D HA 0.393 5.033 4.640 -0.001 0.000 0.259 46 D C 0.826 177.013 176.300 -0.188 0.000 1.144 46 D CA -0.642 53.095 54.000 -0.438 0.000 1.080 46 D CB 1.003 41.331 40.800 -0.785 0.000 1.225 46 D HN 0.358 nan 8.370 nan 0.000 0.619 47 R N -0.865 119.546 120.500 -0.149 0.000 2.081 47 R HA -0.084 4.255 4.340 -0.001 0.000 0.235 47 R C 2.256 178.567 176.300 0.018 0.000 1.131 47 R CA 1.276 57.358 56.100 -0.030 0.000 0.960 47 R CB -0.228 30.060 30.300 -0.020 0.000 0.856 47 R HN 0.490 nan 8.270 nan 0.000 0.436 48 R N 0.453 120.936 120.500 -0.029 0.000 2.073 48 R HA -0.105 4.234 4.340 -0.001 0.000 0.234 48 R C 2.152 178.438 176.300 -0.024 0.000 1.134 48 R CA 1.982 58.071 56.100 -0.019 0.000 0.952 48 R CB -0.104 30.181 30.300 -0.024 0.000 0.850 48 R HN 0.069 nan 8.270 nan 0.000 0.433 49 S N -0.021 115.658 115.700 -0.036 0.000 2.348 49 S HA -0.212 4.258 4.470 -0.001 0.000 0.221 49 S C 1.561 176.140 174.600 -0.035 0.000 1.033 49 S CA 1.508 59.685 58.200 -0.038 0.000 1.010 49 S CB -0.601 62.570 63.200 -0.048 0.000 0.891 49 S HN 0.527 nan 8.310 nan 0.000 0.442 50 Y N 2.649 122.876 120.300 -0.121 0.000 2.145 50 Y HA -0.150 4.399 4.550 -0.001 0.000 0.286 50 Y C 2.332 178.166 175.900 -0.110 0.000 1.145 50 Y CA 1.530 59.553 58.100 -0.128 0.000 1.148 50 Y CB -0.250 38.127 38.460 -0.139 0.000 0.981 50 Y HN 0.055 nan 8.280 nan 0.000 0.507 51 R N 0.109 120.540 120.500 -0.115 0.000 2.091 51 R HA -0.170 4.169 4.340 -0.001 0.000 0.238 51 R C 2.322 178.488 176.300 -0.224 0.000 1.136 51 R CA 1.819 57.803 56.100 -0.194 0.000 0.959 51 R CB -0.629 29.655 30.300 -0.027 0.000 0.856 51 R HN 0.412 nan 8.270 nan 0.000 0.437 52 L N 0.619 121.750 121.223 -0.152 0.000 2.046 52 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 52 L C 2.413 179.182 176.870 -0.169 0.000 1.077 52 L CA 1.216 55.980 54.840 -0.128 0.000 0.747 52 L CB -0.356 41.656 42.059 -0.079 0.000 0.896 52 L HN 0.201 nan 8.230 nan 0.000 0.432 53 L N -1.030 120.063 121.223 -0.217 0.000 2.046 53 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 53 L C 2.889 179.579 176.870 -0.301 0.000 1.077 53 L CA 0.897 55.596 54.840 -0.235 0.000 0.747 53 L CB -0.492 41.420 42.059 -0.244 0.000 0.896 53 L HN 0.223 nan 8.230 nan 0.000 0.432 54 R N 0.366 120.603 120.500 -0.440 0.000 2.075 54 R HA -0.135 4.204 4.340 -0.001 0.000 0.232 54 R C 2.042 178.190 176.300 -0.253 0.000 1.126 54 R CA 1.209 57.063 56.100 -0.410 0.000 0.963 54 R CB -0.471 29.489 30.300 -0.567 0.000 0.858 54 R HN 0.512 nan 8.270 nan 0.000 0.435 55 E N 0.383 120.455 120.200 -0.214 0.000 2.153 55 E HA -0.104 4.245 4.350 -0.001 0.000 0.194 55 E C 1.802 178.322 176.600 -0.133 0.000 0.988 55 E CA 1.109 57.421 56.400 -0.147 0.000 0.811 55 E CB -0.051 29.578 29.700 -0.118 0.000 0.746 55 E HN 0.297 nan 8.360 nan 0.000 0.466 56 A N 0.170 122.905 122.820 -0.142 0.000 2.119 56 A HA 0.138 4.458 4.320 -0.001 0.000 0.217 56 A C 1.776 179.275 177.584 -0.141 0.000 1.153 56 A CA 1.186 53.144 52.037 -0.132 0.000 0.692 56 A CB -0.022 18.909 19.000 -0.115 0.000 0.799 56 A HN 0.365 nan 8.150 nan 0.000 0.458 57 G N -2.321 106.389 108.800 -0.150 0.000 2.200 57 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.145 57 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.145 57 G C -0.094 174.710 174.900 -0.161 0.000 1.021 57 G CA -0.114 44.901 45.100 -0.142 0.000 0.720 57 G HN 0.592 nan 8.290 nan 0.000 0.494 58 V N 1.804 121.600 119.914 -0.196 0.000 2.461 58 V HA 0.288 4.408 4.120 -0.001 0.000 0.275 58 V C 0.929 176.878 176.094 -0.242 0.000 1.047 58 V CA 0.158 62.318 62.300 -0.234 0.000 0.955 58 V CB 1.452 33.116 31.823 -0.265 0.000 0.988 58 V HN 0.281 nan 8.190 nan 0.000 0.471 59 D N 3.081 123.344 120.400 -0.229 0.000 2.240 59 D HA 0.112 4.751 4.640 -0.001 0.000 0.206 59 D C 0.151 176.280 176.300 -0.286 0.000 0.963 59 D CA 0.812 54.689 54.000 -0.206 0.000 0.863 59 D CB 0.895 41.608 40.800 -0.144 0.000 0.973 59 D HN 0.319 nan 8.370 nan 0.000 0.501 60 L N 0.636 121.643 121.223 -0.360 0.000 2.482 60 L HA 0.345 4.685 4.340 -0.001 0.000 0.263 60 L C -1.571 175.036 176.870 -0.438 0.000 0.957 60 L CA -0.734 53.824 54.840 -0.471 0.000 0.836 60 L CB 2.485 44.207 42.059 -0.562 0.000 1.324 60 L HN -0.358 nan 8.230 nan 0.000 0.406 61 V N 3.419 123.123 119.914 -0.350 0.000 2.495 61 V HA 0.752 4.871 4.120 -0.001 0.000 0.298 61 V C 0.048 176.016 176.094 -0.210 0.000 1.031 61 V CA -0.187 61.954 62.300 -0.265 0.000 0.871 61 V CB 1.815 33.562 31.823 -0.128 0.000 0.988 61 V HN 0.938 nan 8.190 nan 0.000 0.432 62 S N 5.181 120.783 115.700 -0.163 0.000 2.722 62 S HA 0.813 5.282 4.470 -0.001 0.000 0.292 62 S C -0.432 174.126 174.600 -0.069 0.000 1.135 62 S CA -0.592 57.604 58.200 -0.006 0.000 1.003 62 S CB 2.015 65.347 63.200 0.220 0.000 1.067 62 S HN 0.302 nan 8.310 nan 0.000 0.546 63 L N 0.488 121.656 121.223 -0.092 0.000 2.704 63 L HA 0.967 5.306 4.340 -0.001 0.000 0.218 63 L C 1.340 178.015 176.870 -0.324 0.000 1.767 63 L CA 0.771 55.491 54.840 -0.199 0.000 2.905 63 L CB -0.430 41.458 42.059 -0.285 0.000 2.715 63 L HN 1.201 nan 8.230 nan 0.000 0.759 64 G N -0.690 107.923 108.800 -0.311 0.000 2.356 64 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.266 64 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.266 64 G C -0.352 174.490 174.900 -0.097 0.000 1.312 64 G CA 0.104 44.978 45.100 -0.377 0.000 0.922 64 G HN 0.564 nan 8.290 nan 0.000 0.480 65 N N -1.256 117.437 118.700 -0.012 0.000 2.453 65 N HA -0.003 4.737 4.740 -0.001 0.000 0.183 65 N C 1.226 176.799 175.510 0.104 0.000 1.041 65 N CA 1.924 55.025 53.050 0.085 0.000 0.900 65 N CB -0.230 38.245 38.487 -0.020 0.000 0.961 65 N HN 0.671 nan 8.380 nan 0.000 0.443 66 H N -1.438 117.641 119.070 0.016 0.000 2.520 66 H HA 0.426 4.982 4.556 -0.001 0.000 0.284 66 H C 1.542 176.751 175.328 -0.198 0.000 1.037 66 H CA -0.123 55.911 56.048 -0.022 0.000 1.168 66 H CB 0.517 30.287 29.762 0.013 0.000 1.497 66 H HN 0.420 nan 8.280 nan 0.000 0.547 67 A N 0.467 123.068 122.820 -0.365 0.000 1.978 67 A HA -0.178 4.142 4.320 -0.001 0.000 0.220 67 A C 1.155 178.257 177.584 -0.803 0.000 1.170 67 A CA 1.020 52.603 52.037 -0.756 0.000 0.636 67 A CB -0.633 17.628 19.000 -1.232 0.000 0.810 67 A HN 0.586 nan 8.150 nan 0.000 0.448 68 W N -0.772 120.510 121.300 -0.030 0.000 3.290 68 W HA 0.247 4.906 4.660 -0.001 0.000 0.287 68 W C 1.345 177.881 176.519 0.029 0.000 1.288 68 W CA -0.063 57.254 57.345 -0.046 0.000 1.725 68 W CB -0.255 29.232 29.460 0.045 0.000 1.103 68 W HN 0.411 nan 8.180 nan 0.000 0.670 69 D N -0.014 120.465 120.400 0.131 0.000 2.126 69 D HA -0.249 4.391 4.640 -0.001 0.000 0.190 69 D C 0.845 177.209 176.300 0.106 0.000 1.001 69 D CA 1.333 55.393 54.000 0.100 0.000 0.841 69 D CB -0.001 40.801 40.800 0.004 0.000 0.949 69 D HN -0.061 nan 8.370 nan 0.000 0.446 70 H N -0.553 118.524 119.070 0.011 0.000 2.541 70 H HA 0.164 4.719 4.556 -0.001 0.000 0.316 70 H C 0.519 175.876 175.328 0.048 0.000 1.043 70 H CA -0.464 55.599 56.048 0.025 0.000 1.232 70 H CB 1.473 31.228 29.762 -0.012 0.000 1.406 70 H HN -0.002 nan 8.280 nan 0.000 0.469 71 K N 3.009 123.552 120.400 0.238 0.000 2.520 71 K HA -0.141 4.178 4.320 -0.001 0.000 0.197 71 K C 1.218 178.060 176.600 0.403 0.000 1.043 71 K CA 1.308 57.838 56.287 0.405 0.000 0.944 71 K CB 0.088 32.762 32.500 0.290 0.000 0.770 71 K HN 0.515 nan 8.250 nan 0.000 0.480 72 E N 0.550 121.004 120.200 0.423 0.000 2.427 72 E HA -0.083 4.267 4.350 -0.001 0.000 0.196 72 E C 1.437 178.052 176.600 0.024 0.000 1.028 72 E CA 0.697 57.223 56.400 0.209 0.000 0.864 72 E CB 0.125 29.881 29.700 0.093 0.000 0.813 72 E HN 0.378 nan 8.360 nan 0.000 0.514 73 V N -1.490 118.380 119.914 -0.074 0.000 2.515 73 V HA -0.228 3.891 4.120 -0.001 0.000 0.250 73 V C 1.711 177.671 176.094 -0.224 0.000 1.058 73 V CA 1.232 63.388 62.300 -0.239 0.000 1.064 73 V CB -1.163 30.426 31.823 -0.390 0.000 0.675 73 V HN 0.228 nan 8.190 nan 0.000 0.461 74 Y N 1.948 122.282 120.300 0.057 0.000 2.114 74 Y HA -0.124 4.425 4.550 -0.001 0.000 0.282 74 Y C 2.880 178.789 175.900 0.015 0.000 1.165 74 Y CA 2.106 60.245 58.100 0.066 0.000 1.148 74 Y CB -0.876 37.634 38.460 0.082 0.000 0.972 74 Y HN 0.307 nan 8.280 nan 0.000 0.504 75 A N 0.006 122.903 122.820 0.129 0.000 1.930 75 A HA -0.112 4.208 4.320 -0.001 0.000 0.217 75 A C 2.198 179.758 177.584 -0.039 0.000 1.175 75 A CA 1.305 53.370 52.037 0.047 0.000 0.627 75 A CB -1.007 18.013 19.000 0.034 0.000 0.815 75 A HN 0.487 nan 8.150 nan 0.000 0.443 76 L N -1.062 120.090 121.223 -0.118 0.000 2.083 76 L HA -0.170 4.170 4.340 -0.001 0.000 0.209 76 L C 2.347 179.090 176.870 -0.211 0.000 1.083 76 L CA 0.633 55.314 54.840 -0.265 0.000 0.752 76 L CB -0.525 41.296 42.059 -0.398 0.000 0.899 76 L HN 0.279 nan 8.230 nan 0.000 0.433 77 L N 0.275 121.424 121.223 -0.122 0.000 2.131 77 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 77 L C 2.596 179.479 176.870 0.021 0.000 1.092 77 L CA 1.705 56.514 54.840 -0.052 0.000 0.759 77 L CB -0.774 41.283 42.059 -0.003 0.000 0.903 77 L HN 0.452 nan 8.230 nan 0.000 0.435 78 E N -2.009 118.207 120.200 0.027 0.000 2.371 78 E HA -0.061 4.289 4.350 -0.001 0.000 0.194 78 E C 1.370 177.998 176.600 0.047 0.000 1.012 78 E CA 1.042 57.471 56.400 0.048 0.000 0.860 78 E CB -0.062 29.668 29.700 0.050 0.000 0.811 78 E HN 0.455 nan 8.360 nan 0.000 0.502 79 S N -0.813 114.900 115.700 0.022 0.000 2.817 79 S HA 0.183 4.652 4.470 -0.001 0.000 0.262 79 S C -0.049 174.576 174.600 0.042 0.000 1.051 79 S CA -0.702 57.523 58.200 0.043 0.000 1.185 79 S CB 0.423 63.635 63.200 0.019 0.000 1.152 79 S HN 0.018 nan 8.310 nan 0.000 0.653 80 E N 1.818 121.995 120.200 -0.038 0.000 2.320 80 E HA 0.449 4.799 4.350 -0.001 0.000 0.264 80 E C -3.122 173.333 176.600 -0.241 0.000 0.923 80 E CA -2.552 53.773 56.400 -0.124 0.000 0.796 80 E CB 0.979 30.413 29.700 -0.444 0.000 1.262 80 E HN -0.073 nan 8.360 nan 0.000 0.428 81 P HA 0.095 nan 4.420 nan 0.000 0.244 81 P C -0.912 175.965 177.300 -0.705 0.000 1.723 81 P CA 0.261 62.688 63.100 -1.121 0.000 1.110 81 P CB -0.022 31.235 31.700 -0.738 0.000 1.972 82 V N 3.072 122.659 119.914 -0.546 0.000 2.524 82 V HA 0.324 4.443 4.120 -0.001 0.000 0.297 82 V C 0.222 176.228 176.094 -0.146 0.000 1.035 82 V CA -0.876 61.248 62.300 -0.292 0.000 0.867 82 V CB 2.384 34.051 31.823 -0.260 0.000 1.004 82 V HN 0.125 nan 8.190 nan 0.000 0.426 83 V N 3.176 123.056 119.914 -0.057 0.000 2.881 83 V HA 0.988 5.107 4.120 -0.001 0.000 0.316 83 V C -0.441 175.684 176.094 0.052 0.000 1.070 83 V CA -0.907 61.449 62.300 0.093 0.000 0.976 83 V CB 1.992 33.982 31.823 0.278 0.000 1.038 83 V HN 1.002 nan 8.190 nan 0.000 0.446 84 R N 1.908 122.455 120.500 0.079 0.000 2.919 84 R HA 0.818 5.158 4.340 -0.001 0.000 0.260 84 R C -3.177 173.238 176.300 0.190 0.000 1.067 84 R CA -2.468 53.661 56.100 0.048 0.000 1.003 84 R CB -0.430 29.833 30.300 -0.061 0.000 1.192 84 R HN 0.453 nan 8.270 nan 0.000 0.488 85 P HA -0.097 nan 4.420 nan 0.000 0.261 85 P C 0.296 177.778 177.300 0.304 0.000 1.173 85 P CA 0.055 63.310 63.100 0.260 0.000 0.760 85 P CB 0.354 32.193 31.700 0.232 0.000 0.783 86 L N 5.124 126.457 121.223 0.184 0.000 2.046 86 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 86 L C 1.578 178.542 176.870 0.156 0.000 1.077 86 L CA 1.827 56.776 54.840 0.182 0.000 0.747 86 L CB -0.950 41.178 42.059 0.116 0.000 0.896 86 L HN 0.359 nan 8.230 nan 0.000 0.432 87 N N -1.548 117.198 118.700 0.076 0.000 2.551 87 N HA -0.163 4.576 4.740 -0.001 0.000 0.199 87 N C -0.123 175.404 175.510 0.028 0.000 1.277 87 N CA -0.015 53.052 53.050 0.029 0.000 0.870 87 N CB -0.747 37.717 38.487 -0.039 0.000 1.028 87 N HN 0.361 nan 8.380 nan 0.000 0.452 88 Y N 2.163 122.522 120.300 0.098 0.000 2.357 88 Y HA 0.212 4.761 4.550 -0.001 0.000 0.340 88 Y C -1.521 174.425 175.900 0.077 0.000 1.260 88 Y CA -1.615 56.550 58.100 0.108 0.000 1.425 88 Y CB 0.321 38.885 38.460 0.173 0.000 1.326 88 Y HN 0.075 nan 8.280 nan 0.000 0.580 89 P HA 0.107 nan 4.420 nan 0.000 0.272 89 P C -2.680 174.694 177.300 0.123 0.000 1.240 89 P CA -1.370 61.815 63.100 0.143 0.000 0.791 89 P CB 0.133 31.897 31.700 0.106 0.000 0.978 90 P HA 0.060 nan 4.420 nan 0.000 0.265 90 P C 0.980 178.309 177.300 0.048 0.000 1.187 90 P CA 1.366 64.507 63.100 0.068 0.000 0.766 90 P CB -0.249 31.481 31.700 0.050 0.000 0.820 91 G N 0.924 109.750 108.800 0.043 0.000 2.157 91 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.248 91 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.248 91 G C 0.255 175.154 174.900 -0.002 0.000 0.979 91 G CA -0.006 45.104 45.100 0.017 0.000 0.650 91 G HN 0.618 nan 8.290 nan 0.000 0.529 92 T N 3.692 118.257 114.554 0.019 0.000 2.780 92 T HA 0.514 4.864 4.350 -0.001 0.000 0.294 92 T C -1.439 173.289 174.700 0.046 0.000 0.949 92 T CA -0.470 61.611 62.100 -0.031 0.000 1.074 92 T CB 1.746 70.613 68.868 -0.002 0.000 0.910 92 T HN 0.253 nan 8.240 nan 0.000 0.501 93 P HA 0.332 nan 4.420 nan 0.000 0.267 93 P C 0.535 177.969 177.300 0.223 0.000 1.200 93 P CA 0.254 63.459 63.100 0.176 0.000 0.772 93 P CB 0.171 32.053 31.700 0.303 0.000 0.855 94 G N 1.471 110.368 108.800 0.162 0.000 2.796 94 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.571 94 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.571 94 G C -1.101 173.874 174.900 0.125 0.000 1.370 94 G CA -0.726 44.453 45.100 0.133 0.000 0.856 94 G HN 0.656 nan 8.290 nan 0.000 0.538 95 K N -0.224 120.247 120.400 0.117 0.000 2.118 95 K HA 0.597 4.916 4.320 -0.001 0.000 0.254 95 K C 1.216 177.907 176.600 0.152 0.000 0.961 95 K CA -0.218 56.117 56.287 0.080 0.000 0.876 95 K CB 1.810 34.303 32.500 -0.012 0.000 1.077 95 K HN 0.812 nan 8.250 nan 0.000 0.440 96 G N 1.693 110.625 108.800 0.220 0.000 3.088 96 G HA2 0.181 4.140 3.960 -0.001 0.000 0.217 96 G HA3 0.181 4.140 3.960 -0.001 0.000 0.217 96 G C -0.175 174.970 174.900 0.410 0.000 1.159 96 G CA 0.057 45.345 45.100 0.314 0.000 0.760 96 G HN 0.557 nan 8.290 nan 0.000 0.550 97 F N -3.900 116.169 119.950 0.198 0.000 2.741 97 F HA 0.780 5.306 4.527 -0.001 0.000 0.313 97 F C -2.109 173.919 175.800 0.380 0.000 1.153 97 F CA -2.356 55.779 58.000 0.224 0.000 0.931 97 F CB 1.391 40.457 39.000 0.110 0.000 1.335 97 F HN -0.051 nan 8.300 nan 0.000 0.460 98 W N 2.546 123.976 121.300 0.218 0.000 3.372 98 W HA 0.476 5.136 4.660 -0.001 0.000 0.315 98 W C -1.888 174.772 176.519 0.234 0.000 1.223 98 W CA -0.830 56.570 57.345 0.092 0.000 1.202 98 W CB 2.453 31.986 29.460 0.121 0.000 1.367 98 W HN 0.957 nan 8.180 nan 0.000 0.531 99 R N 5.485 125.989 120.500 0.008 0.000 2.265 99 R HA 0.589 4.928 4.340 -0.001 0.000 0.328 99 R C -1.198 175.235 176.300 0.222 0.000 0.969 99 R CA -0.271 55.918 56.100 0.149 0.000 0.832 99 R CB 0.753 31.078 30.300 0.042 0.000 1.139 99 R HN 0.529 nan 8.270 nan 0.000 0.457 100 L N 2.707 124.122 121.223 0.320 0.000 2.344 100 L HA 0.495 4.834 4.340 -0.001 0.000 0.272 100 L C -0.357 176.634 176.870 0.201 0.000 1.035 100 L CA -0.881 54.134 54.840 0.292 0.000 0.807 100 L CB 1.902 44.127 42.059 0.278 0.000 1.237 100 L HN 0.634 nan 8.230 nan 0.000 0.442 101 E N 1.084 121.382 120.200 0.163 0.000 2.224 101 E HA 0.645 4.995 4.350 -0.001 0.000 0.265 101 E C -1.706 174.964 176.600 0.117 0.000 0.878 101 E CA -0.405 56.072 56.400 0.129 0.000 0.759 101 E CB 2.039 31.798 29.700 0.097 0.000 1.164 101 E HN 0.216 nan 8.360 nan 0.000 0.414 102 V N 3.327 123.314 119.914 0.122 0.000 2.777 102 V HA 0.511 4.630 4.120 -0.001 0.000 0.306 102 V C 0.506 176.661 176.094 0.102 0.000 1.112 102 V CA -0.373 61.989 62.300 0.103 0.000 0.917 102 V CB 1.972 33.859 31.823 0.106 0.000 1.018 102 V HN 0.910 nan 8.190 nan 0.000 0.426 103 G N 3.135 111.981 108.800 0.075 0.000 2.422 103 G HA2 0.071 4.031 3.960 -0.001 0.000 0.301 103 G HA3 0.071 4.031 3.960 -0.001 0.000 0.301 103 G C 1.326 176.271 174.900 0.075 0.000 0.981 103 G CA 1.242 46.383 45.100 0.069 0.000 0.994 103 G HN 2.550 nan 8.290 nan 0.000 0.514 104 G N -1.660 107.181 108.800 0.069 0.000 2.184 104 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.264 104 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.264 104 G C 0.188 175.132 174.900 0.074 0.000 0.975 104 G CA 1.043 46.180 45.100 0.061 0.000 0.642 104 G HN 0.966 nan 8.290 nan 0.000 0.536 105 E N 0.501 120.769 120.200 0.113 0.000 2.202 105 E HA 0.569 4.919 4.350 -0.001 0.000 0.272 105 E C 0.112 176.810 176.600 0.164 0.000 0.951 105 E CA -0.033 56.456 56.400 0.149 0.000 0.813 105 E CB 1.571 31.437 29.700 0.276 0.000 1.151 105 E HN 0.428 nan 8.360 nan 0.000 0.398 106 S N 2.075 117.857 115.700 0.137 0.000 2.537 106 S HA 0.639 5.108 4.470 -0.001 0.000 0.301 106 S C -0.839 173.896 174.600 0.225 0.000 1.092 106 S CA -0.937 57.353 58.200 0.150 0.000 1.048 106 S CB 1.274 64.525 63.200 0.085 0.000 1.053 106 S HN 0.328 nan 8.310 nan 0.000 0.501 107 L N 2.631 124.009 121.223 0.258 0.000 2.376 107 L HA 0.667 5.007 4.340 -0.001 0.000 0.275 107 L C -1.406 175.644 176.870 0.301 0.000 0.987 107 L CA -0.927 54.105 54.840 0.320 0.000 0.828 107 L CB 1.590 43.871 42.059 0.370 0.000 1.249 107 L HN 0.830 nan 8.230 nan 0.000 0.409 108 L N 5.634 127.013 121.223 0.261 0.000 2.265 108 L HA 0.516 4.856 4.340 -0.001 0.000 0.288 108 L C -1.261 175.814 176.870 0.340 0.000 1.058 108 L CA 0.174 55.179 54.840 0.274 0.000 0.809 108 L CB 0.730 42.883 42.059 0.157 0.000 1.179 108 L HN 0.632 nan 8.230 nan 0.000 0.429 109 F N 6.151 126.279 119.950 0.295 0.000 2.436 109 F HA 0.756 5.283 4.527 -0.001 0.000 0.340 109 F C -1.018 174.961 175.800 0.299 0.000 1.113 109 F CA -0.532 57.637 58.000 0.281 0.000 1.022 109 F CB 1.381 40.550 39.000 0.281 0.000 1.128 109 F HN 0.237 nan 8.300 nan 0.000 0.466 110 V N 5.816 125.273 119.914 -0.761 0.000 2.686 110 V HA 0.374 4.494 4.120 -0.001 0.000 0.306 110 V C -0.879 174.802 176.094 -0.688 0.000 1.065 110 V CA -0.854 61.156 62.300 -0.483 0.000 0.894 110 V CB 1.522 33.250 31.823 -0.159 0.000 1.004 110 V HN 0.820 nan 8.190 nan 0.000 0.424 111 Q N 2.341 121.929 119.800 -0.354 0.000 2.274 111 Q HA 0.856 5.195 4.340 -0.001 0.000 0.260 111 Q C -1.703 174.273 176.000 -0.039 0.000 0.974 111 Q CA -0.335 55.380 55.803 -0.147 0.000 0.876 111 Q CB 2.512 31.292 28.738 0.070 0.000 1.297 111 Q HN 0.632 nan 8.270 nan 0.000 0.446 115 R N -0.555 119.898 120.500 -0.078 0.000 2.342 115 R HA 0.268 4.608 4.340 -0.001 0.000 0.204 115 R C 1.168 177.411 176.300 -0.094 0.000 0.882 115 R CA -0.244 55.812 56.100 -0.073 0.000 1.041 115 R CB 0.839 31.108 30.300 -0.051 0.000 1.188 115 R HN 0.519 nan 8.270 nan 0.000 0.598 116 I N 2.369 122.843 120.570 -0.160 0.000 2.471 116 I HA 0.066 4.236 4.170 -0.001 0.000 0.286 116 I C -0.815 175.136 176.117 -0.277 0.000 1.079 116 I CA -0.036 61.051 61.300 -0.356 0.000 1.398 116 I CB 0.110 37.768 38.000 -0.570 0.000 1.403 116 I HN 0.018 nan 8.210 nan 0.000 0.530 120 P HA 0.349 nan 4.420 nan 0.000 0.276 120 P C -0.652 176.622 177.300 -0.042 0.000 1.243 120 P CA -0.167 62.918 63.100 -0.026 0.000 0.768 120 P CB 0.967 32.662 31.700 -0.009 0.000 0.856 121 L N 1.477 122.658 121.223 -0.070 0.000 2.183 121 L HA 0.447 4.787 4.340 -0.001 0.000 0.253 121 L C 0.415 177.256 176.870 -0.049 0.000 1.048 121 L CA -1.249 53.535 54.840 -0.093 0.000 0.890 121 L CB 0.813 42.746 42.059 -0.211 0.000 1.476 121 L HN 0.212 nan 8.230 nan 0.000 0.455 122 D N 0.313 120.693 120.400 -0.034 0.000 2.368 122 D HA 0.024 4.664 4.640 -0.001 0.000 0.240 122 D C -0.569 175.730 176.300 -0.003 0.000 1.169 122 D CA -0.043 53.955 54.000 -0.004 0.000 0.906 122 D CB 0.521 41.332 40.800 0.018 0.000 1.187 122 D HN 0.354 nan 8.370 nan 0.000 0.435 123 D N 1.252 121.665 120.400 0.021 0.000 2.451 123 D HA -0.029 4.611 4.640 -0.001 0.000 0.254 123 D C -1.490 174.839 176.300 0.049 0.000 1.204 123 D CA -1.288 52.747 54.000 0.059 0.000 0.896 123 D CB 0.969 41.810 40.800 0.068 0.000 1.136 123 D HN 0.040 nan 8.370 nan 0.000 0.499 124 P HA -0.137 nan 4.420 nan 0.000 0.219 124 P C 1.478 178.714 177.300 -0.108 0.000 1.150 124 P CA 0.770 63.808 63.100 -0.103 0.000 0.814 124 P CB 0.031 31.594 31.700 -0.228 0.000 0.787 125 F N 1.267 121.174 119.950 -0.071 0.000 2.026 125 F HA -0.128 4.398 4.527 -0.001 0.000 0.296 125 F C 2.838 178.662 175.800 0.040 0.000 1.133 125 F CA 1.695 59.634 58.000 -0.102 0.000 1.188 125 F CB -1.163 37.584 39.000 -0.421 0.000 0.968 125 F HN -0.232 nan 8.300 nan 0.000 0.476 126 R N -0.040 120.583 120.500 0.204 0.000 2.189 126 R HA -0.009 4.331 4.340 -0.001 0.000 0.218 126 R C 2.311 178.671 176.300 0.100 0.000 1.074 126 R CA 0.784 56.976 56.100 0.153 0.000 0.991 126 R CB -0.608 29.747 30.300 0.092 0.000 0.883 126 R HN 0.304 nan 8.270 nan 0.000 0.457 127 A N 1.093 123.955 122.820 0.070 0.000 1.898 127 A HA -0.133 4.186 4.320 -0.001 0.000 0.216 127 A C 1.934 179.530 177.584 0.020 0.000 1.181 127 A CA 1.020 53.079 52.037 0.036 0.000 0.620 127 A CB -0.283 18.731 19.000 0.023 0.000 0.819 127 A HN 0.099 nan 8.150 nan 0.000 0.442 128 L N 0.228 121.469 121.223 0.031 0.000 2.131 128 L HA -0.136 4.204 4.340 -0.001 0.000 0.210 128 L C 1.718 178.600 176.870 0.021 0.000 1.092 128 L CA 1.828 56.675 54.840 0.011 0.000 0.759 128 L CB -1.058 41.017 42.059 0.027 0.000 0.903 128 L HN 0.344 nan 8.230 nan 0.000 0.435 129 D N -0.766 119.684 120.400 0.084 0.000 2.117 129 D HA -0.154 4.485 4.640 -0.001 0.000 0.197 129 D C 2.370 178.672 176.300 0.003 0.000 0.987 129 D CA 0.972 55.006 54.000 0.057 0.000 0.829 129 D CB 0.020 40.892 40.800 0.120 0.000 0.961 129 D HN 0.252 nan 8.370 nan 0.000 0.460 130 R N 0.063 120.565 120.500 0.003 0.000 2.092 130 R HA -0.046 4.294 4.340 -0.001 0.000 0.231 130 R C 2.207 178.463 176.300 -0.073 0.000 1.119 130 R CA 0.392 56.478 56.100 -0.023 0.000 0.970 130 R CB -0.235 30.059 30.300 -0.009 0.000 0.864 130 R HN 0.166 nan 8.270 nan 0.000 0.440 131 L N 0.652 121.811 121.223 -0.106 0.000 2.005 131 L HA -0.120 4.219 4.340 -0.001 0.000 0.207 131 L C 1.793 178.542 176.870 -0.203 0.000 1.072 131 L CA 1.717 56.426 54.840 -0.218 0.000 0.744 131 L CB -0.623 41.281 42.059 -0.259 0.000 0.895 131 L HN 0.187 nan 8.230 nan 0.000 0.433 132 L N 0.333 121.475 121.223 -0.136 0.000 2.261 132 L HA -0.153 4.186 4.340 -0.001 0.000 0.216 132 L C 2.656 179.471 176.870 -0.092 0.000 1.114 132 L CA 1.230 56.005 54.840 -0.110 0.000 0.777 132 L CB -1.065 40.944 42.059 -0.083 0.000 0.910 132 L HN 0.305 nan 8.230 nan 0.000 0.440 133 E N -0.048 120.103 120.200 -0.082 0.000 2.028 133 E HA -0.170 4.180 4.350 -0.001 0.000 0.190 133 E C 1.985 178.544 176.600 -0.068 0.000 0.984 133 E CA 1.291 57.653 56.400 -0.064 0.000 0.800 133 E CB 0.047 29.720 29.700 -0.046 0.000 0.758 133 E HN 0.704 nan 8.360 nan 0.000 0.448 134 E N 0.569 120.718 120.200 -0.084 0.000 2.285 134 E HA -0.022 4.328 4.350 -0.001 0.000 0.194 134 E C 0.099 176.645 176.600 -0.091 0.000 0.997 134 E CA 0.511 56.864 56.400 -0.078 0.000 0.845 134 E CB 0.146 29.801 29.700 -0.075 0.000 0.782 134 E HN -0.020 nan 8.360 nan 0.000 0.491 135 E N 1.353 121.473 120.200 -0.134 0.000 2.187 135 E HA 0.357 4.707 4.350 -0.001 0.000 0.268 135 E C -0.514 176.038 176.600 -0.080 0.000 0.896 135 E CA -0.583 55.746 56.400 -0.119 0.000 0.766 135 E CB 1.890 31.446 29.700 -0.239 0.000 1.142 135 E HN -0.008 nan 8.360 nan 0.000 0.408 136 K N 0.660 121.033 120.400 -0.044 0.000 2.395 136 K HA 0.895 5.215 4.320 -0.001 0.000 0.247 136 K C -0.801 175.785 176.600 -0.024 0.000 0.973 136 K CA -1.009 55.252 56.287 -0.043 0.000 0.828 136 K CB 2.618 35.091 32.500 -0.045 0.000 1.272 136 K HN 0.601 nan 8.250 nan 0.000 0.439 137 A N 0.573 123.368 122.820 -0.042 0.000 2.597 137 A HA 0.274 4.593 4.320 -0.001 0.000 0.292 137 A C -0.136 177.371 177.584 -0.128 0.000 1.057 137 A CA -0.572 51.444 52.037 -0.037 0.000 0.674 137 A CB 0.672 19.692 19.000 0.033 0.000 1.278 137 A HN 0.706 nan 8.150 nan 0.000 0.416 138 D N -0.618 119.667 120.400 -0.191 0.000 2.182 138 D HA -0.056 4.584 4.640 -0.001 0.000 0.201 138 D C -0.404 175.391 176.300 -0.841 0.000 0.986 138 D CA 2.191 55.890 54.000 -0.501 0.000 0.847 138 D CB 0.028 40.505 40.800 -0.538 0.000 0.942 138 D HN 0.470 nan 8.370 nan 0.000 0.467 139 Y N -1.036 119.237 120.300 -0.045 0.000 2.581 139 Y HA 0.438 4.987 4.550 -0.001 0.000 0.345 139 Y C -0.238 175.611 175.900 -0.085 0.000 1.036 139 Y CA -1.041 56.965 58.100 -0.156 0.000 1.042 139 Y CB 2.176 40.530 38.460 -0.177 0.000 1.289 139 Y HN -0.420 nan 8.280 nan 0.000 0.471 140 V N 3.290 123.213 119.914 0.016 0.000 2.668 140 V HA 0.445 4.564 4.120 -0.001 0.000 0.304 140 V C -1.525 174.611 176.094 0.070 0.000 1.071 140 V CA -0.635 61.696 62.300 0.051 0.000 0.894 140 V CB 2.101 33.920 31.823 -0.008 0.000 1.008 140 V HN 0.531 nan 8.190 nan 0.000 0.425 141 L N 6.485 127.820 121.223 0.185 0.000 2.349 141 L HA 0.803 5.143 4.340 -0.001 0.000 0.278 141 L C -0.792 176.116 176.870 0.064 0.000 0.996 141 L CA -0.163 54.822 54.840 0.241 0.000 0.825 141 L CB 1.882 44.240 42.059 0.499 0.000 1.243 141 L HN 0.431 nan 8.230 nan 0.000 0.412 142 V N 4.833 124.750 119.914 0.006 0.000 2.417 142 V HA 0.467 4.586 4.120 -0.001 0.000 0.291 142 V C -0.170 175.864 176.094 -0.099 0.000 1.024 142 V CA -0.651 61.581 62.300 -0.113 0.000 0.861 142 V CB 1.576 33.356 31.823 -0.071 0.000 0.985 142 V HN 0.810 nan 8.190 nan 0.000 0.436 143 E N 3.801 123.902 120.200 -0.164 0.000 2.156 143 E HA 0.520 4.869 4.350 -0.001 0.000 0.279 143 E C -1.494 175.087 176.600 -0.032 0.000 0.965 143 E CA -0.513 55.850 56.400 -0.061 0.000 0.789 143 E CB 1.883 31.680 29.700 0.163 0.000 1.098 143 E HN 0.480 nan 8.360 nan 0.000 0.397 144 V N 5.763 125.666 119.914 -0.020 0.000 2.275 144 V HA 0.091 4.211 4.120 -0.001 0.000 0.272 144 V C -0.006 176.122 176.094 0.057 0.000 1.028 144 V CA -0.632 61.669 62.300 0.001 0.000 0.810 144 V CB 0.660 32.476 31.823 -0.011 0.000 1.043 144 V HN 0.677 nan 8.190 nan 0.000 0.453 145 H N 4.728 123.784 119.070 -0.023 0.000 3.067 145 H HA 0.639 5.195 4.556 -0.001 0.000 0.265 145 H C -0.053 175.228 175.328 -0.079 0.000 1.234 145 H CA 0.379 56.419 56.048 -0.013 0.000 1.452 145 H CB 0.733 30.485 29.762 -0.016 0.000 1.527 145 H HN 0.783 nan 8.280 nan 0.000 0.486 146 A N 4.179 126.918 122.820 -0.135 0.000 2.609 146 A HA 0.240 4.560 4.320 -0.001 0.000 0.291 146 A C 0.465 178.062 177.584 0.021 0.000 1.096 146 A CA -0.721 51.257 52.037 -0.099 0.000 0.684 146 A CB 1.594 20.567 19.000 -0.045 0.000 1.282 146 A HN 0.610 nan 8.150 nan 0.000 0.412 147 E N 0.351 120.608 120.200 0.094 0.000 2.042 147 E HA 0.128 4.477 4.350 -0.001 0.000 0.189 147 E C 1.138 177.838 176.600 0.168 0.000 0.974 147 E CA 1.224 57.735 56.400 0.186 0.000 0.806 147 E CB -0.078 29.795 29.700 0.288 0.000 0.769 147 E HN 0.814 nan 8.360 nan 0.000 0.451 148 A N 1.593 124.506 122.820 0.156 0.000 2.451 148 A HA 0.123 4.443 4.320 -0.001 0.000 0.266 148 A C 1.356 178.993 177.584 0.089 0.000 1.119 148 A CA 0.525 52.639 52.037 0.129 0.000 0.786 148 A CB 0.057 19.051 19.000 -0.011 0.000 1.061 148 A HN 0.278 nan 8.150 nan 0.000 0.503 149 T N 0.153 114.770 114.554 0.105 0.000 2.915 149 T HA -0.166 4.184 4.350 -0.001 0.000 0.269 149 T C 1.882 176.640 174.700 0.096 0.000 1.071 149 T CA 1.601 63.765 62.100 0.106 0.000 1.132 149 T CB -0.561 68.371 68.868 0.106 0.000 0.878 149 T HN 1.021 nan 8.240 nan 0.000 0.479 150 S N 1.600 117.342 115.700 0.070 0.000 2.368 150 S HA -0.138 4.331 4.470 -0.001 0.000 0.224 150 S C 2.102 176.737 174.600 0.058 0.000 1.029 150 S CA 1.160 59.389 58.200 0.049 0.000 0.988 150 S CB -0.626 62.587 63.200 0.023 0.000 0.838 150 S HN 0.690 nan 8.310 nan 0.000 0.462 151 E N 1.616 121.845 120.200 0.049 0.000 2.072 151 E HA -0.070 4.280 4.350 -0.001 0.000 0.191 151 E C 0.677 177.319 176.600 0.070 0.000 0.985 151 E CA 0.660 57.103 56.400 0.072 0.000 0.801 151 E CB -0.009 29.703 29.700 0.019 0.000 0.750 151 E HN 0.556 nan 8.360 nan 0.000 0.452 155 L N 0.679 122.007 121.223 0.175 0.000 2.046 155 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 155 L C 3.037 179.966 176.870 0.098 0.000 1.077 155 L CA 1.575 56.412 54.840 -0.004 0.000 0.747 155 L CB -0.415 41.499 42.059 -0.241 0.000 0.896 155 L HN 0.556 nan 8.230 nan 0.000 0.432 156 A N -0.700 122.143 122.820 0.039 0.000 1.859 156 A HA -0.283 4.037 4.320 -0.001 0.000 0.217 156 A C 2.168 179.713 177.584 -0.066 0.000 1.198 156 A CA 1.805 53.810 52.037 -0.053 0.000 0.629 156 A CB -1.031 17.748 19.000 -0.369 0.000 0.830 156 A HN 0.453 nan 8.150 nan 0.000 0.446 157 H N -2.970 116.092 119.070 -0.015 0.000 2.387 157 H HA -0.177 4.378 4.556 -0.001 0.000 0.299 157 H C 1.986 177.383 175.328 0.114 0.000 1.099 157 H CA 2.130 58.195 56.048 0.027 0.000 1.315 157 H CB -0.320 29.451 29.762 0.016 0.000 1.380 157 H HN 0.692 nan 8.280 nan 0.000 0.513 158 Y N 0.643 121.044 120.300 0.170 0.000 2.421 158 Y HA -0.108 4.442 4.550 -0.001 0.000 0.292 158 Y C 1.793 177.743 175.900 0.082 0.000 1.136 158 Y CA 0.548 58.741 58.100 0.155 0.000 1.255 158 Y CB 0.013 38.656 38.460 0.305 0.000 0.991 158 Y HN 0.014 nan 8.280 nan 0.000 0.552 159 L N 0.170 121.447 121.223 0.090 0.000 2.607 159 L HA 0.095 4.434 4.340 -0.001 0.000 0.228 159 L C 0.025 176.864 176.870 -0.051 0.000 1.123 159 L CA 0.361 55.189 54.840 -0.019 0.000 0.890 159 L CB -0.885 41.185 42.059 0.019 0.000 1.103 159 L HN 0.018 nan 8.230 nan 0.000 0.468 160 D N -0.145 120.225 120.400 -0.049 0.000 2.493 160 D HA 0.304 4.944 4.640 -0.001 0.000 0.240 160 D C 1.483 177.749 176.300 -0.056 0.000 1.142 160 D CA 1.387 55.350 54.000 -0.061 0.000 0.872 160 D CB 0.675 41.435 40.800 -0.066 0.000 1.173 160 D HN 0.320 nan 8.370 nan 0.000 0.467 161 G N 3.860 112.634 108.800 -0.044 0.000 2.245 161 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.264 161 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.264 161 G C 1.331 176.197 174.900 -0.057 0.000 0.985 161 G CA 0.718 45.792 45.100 -0.043 0.000 0.625 161 G HN 0.580 nan 8.290 nan 0.000 0.536 162 R N 0.143 120.602 120.500 -0.068 0.000 2.140 162 R HA 0.550 4.889 4.340 -0.001 0.000 0.200 162 R C 1.450 177.710 176.300 -0.066 0.000 1.069 162 R CA 0.732 56.786 56.100 -0.077 0.000 1.088 162 R CB 0.212 30.451 30.300 -0.101 0.000 1.012 162 R HN 0.544 nan 8.270 nan 0.000 0.500 163 A N 0.528 123.316 122.820 -0.053 0.000 2.310 163 A HA 0.318 4.638 4.320 -0.001 0.000 0.299 163 A C 0.711 178.269 177.584 -0.044 0.000 1.147 163 A CA -0.420 51.592 52.037 -0.041 0.000 0.818 163 A CB 1.173 20.163 19.000 -0.017 0.000 1.096 163 A HN 0.187 nan 8.150 nan 0.000 0.495 164 S N 0.700 116.344 115.700 -0.094 0.000 2.402 164 S HA 0.293 4.762 4.470 -0.001 0.000 0.229 164 S C 0.811 175.411 174.600 -0.001 0.000 1.021 164 S CA 1.161 59.260 58.200 -0.168 0.000 0.974 164 S CB -0.154 62.676 63.200 -0.616 0.000 0.800 164 S HN 1.514 nan 8.310 nan 0.000 0.484 165 A N 0.212 123.079 122.820 0.078 0.000 2.605 165 A HA 0.646 4.965 4.320 -0.001 0.000 0.294 165 A C -1.590 176.068 177.584 0.124 0.000 1.062 165 A CA -0.566 51.575 52.037 0.173 0.000 0.682 165 A CB 1.257 20.461 19.000 0.341 0.000 1.278 165 A HN 0.052 nan 8.150 nan 0.000 0.410 166 V N 2.208 122.189 119.914 0.111 0.000 2.482 166 V HA 0.501 4.620 4.120 -0.001 0.000 0.295 166 V C -0.740 175.335 176.094 -0.032 0.000 1.026 166 V CA -0.198 62.151 62.300 0.081 0.000 0.856 166 V CB 1.283 33.214 31.823 0.180 0.000 1.001 166 V HN 0.725 nan 8.190 nan 0.000 0.424 167 L N 4.211 125.351 121.223 -0.138 0.000 2.341 167 L HA 0.785 5.125 4.340 -0.001 0.000 0.278 167 L C 0.769 177.482 176.870 -0.263 0.000 1.005 167 L CA -0.460 54.203 54.840 -0.295 0.000 0.818 167 L CB 1.975 43.756 42.059 -0.463 0.000 1.259 167 L HN 0.728 nan 8.230 nan 0.000 0.418 168 G N 1.046 109.703 108.800 -0.239 0.000 2.425 168 G HA2 0.681 4.641 3.960 -0.001 0.000 0.302 168 G HA3 0.681 4.641 3.960 -0.001 0.000 0.302 168 G C -0.290 174.559 174.900 -0.085 0.000 1.159 168 G CA -0.031 44.997 45.100 -0.120 0.000 0.865 168 G HN 0.613 nan 8.290 nan 0.000 0.515 169 T N -3.052 111.502 114.554 -0.001 0.000 2.681 169 T HA 0.500 4.850 4.350 -0.001 0.000 0.296 169 T C 0.136 174.804 174.700 -0.054 0.000 1.157 169 T CA 0.123 62.271 62.100 0.079 0.000 1.025 169 T CB 1.735 70.797 68.868 0.323 0.000 1.441 169 T HN 1.470 nan 8.240 nan 0.000 0.504 170 H N -1.952 116.957 119.070 -0.268 0.000 4.370 170 H HA -0.186 4.370 4.556 -0.001 0.000 0.114 170 H C 1.144 176.104 175.328 -0.614 0.000 0.638 170 H CA 2.282 57.933 56.048 -0.662 0.000 1.203 170 H CB -1.707 27.361 29.762 -1.157 0.000 0.562 170 H HN 0.684 nan 8.280 nan 0.000 0.652 171 T N -0.470 113.845 114.554 -0.398 0.000 2.985 171 T HA -0.015 4.334 4.350 -0.001 0.000 0.266 171 T C 0.571 175.134 174.700 -0.229 0.000 1.076 171 T CA 1.161 63.067 62.100 -0.322 0.000 1.135 171 T CB -0.273 68.524 68.868 -0.117 0.000 0.890 171 T HN 0.787 nan 8.240 nan 0.000 0.480 172 H N -1.541 117.465 119.070 -0.107 0.000 3.080 172 H HA -0.111 4.444 4.556 -0.001 0.000 0.254 172 H C -0.841 174.463 175.328 -0.040 0.000 1.179 172 H CA -0.090 55.899 56.048 -0.098 0.000 1.144 172 H CB -1.675 27.994 29.762 -0.155 0.000 1.261 172 H HN 0.168 nan 8.280 nan 0.000 0.333 173 V N 1.307 121.272 119.914 0.086 0.000 2.610 173 V HA 0.249 4.369 4.120 -0.001 0.000 0.298 173 V C -2.049 174.033 176.094 -0.021 0.000 1.067 173 V CA -1.415 60.929 62.300 0.074 0.000 0.894 173 V CB 2.197 34.055 31.823 0.058 0.000 1.015 173 V HN -0.011 nan 8.190 nan 0.000 0.432 174 P HA 0.121 nan 4.420 nan 0.000 0.265 174 P C -0.161 177.100 177.300 -0.065 0.000 1.193 174 P CA 0.368 63.399 63.100 -0.116 0.000 0.765 174 P CB 0.710 32.268 31.700 -0.236 0.000 0.823 175 T N 0.533 115.061 114.554 -0.044 0.000 2.824 175 T HA 0.343 4.693 4.350 -0.001 0.000 0.280 175 T C 0.169 174.860 174.700 -0.015 0.000 0.995 175 T CA -0.916 61.169 62.100 -0.026 0.000 1.009 175 T CB 0.990 69.844 68.868 -0.024 0.000 0.955 175 T HN 0.172 nan 8.240 nan 0.000 0.452 176 L N 3.779 125.002 121.223 -0.000 0.000 2.719 176 L HA 0.377 4.716 4.340 -0.001 0.000 0.236 176 L C -0.001 176.883 176.870 0.025 0.000 1.285 176 L CA -0.054 54.793 54.840 0.011 0.000 1.222 176 L CB -0.677 41.388 42.059 0.011 0.000 1.493 176 L HN 0.888 nan 8.230 nan 0.000 0.415 177 D N 0.070 120.485 120.400 0.025 0.000 2.594 177 D HA 0.176 4.816 4.640 -0.001 0.000 0.256 177 D C 0.455 176.792 176.300 0.063 0.000 1.393 177 D CA -0.130 53.905 54.000 0.059 0.000 0.797 177 D CB -0.006 40.852 40.800 0.096 0.000 1.110 177 D HN 0.250 nan 8.370 nan 0.000 0.495 178 A N 0.920 123.754 122.820 0.023 0.000 2.561 178 A HA 0.468 4.788 4.320 -0.001 0.000 0.251 178 A C 0.728 178.353 177.584 0.068 0.000 1.062 178 A CA 0.868 52.917 52.037 0.019 0.000 0.761 178 A CB -0.330 18.679 19.000 0.016 0.000 0.986 178 A HN 0.489 nan 8.150 nan 0.000 0.510 179 T N 0.113 114.730 114.554 0.106 0.000 2.645 179 T HA 0.764 5.113 4.350 -0.001 0.000 0.300 179 T C -0.619 174.153 174.700 0.121 0.000 1.210 179 T CA -0.956 61.211 62.100 0.113 0.000 1.034 179 T CB 1.131 70.075 68.868 0.126 0.000 1.537 179 T HN 1.058 nan 8.240 nan 0.000 0.492 180 R N 0.673 121.229 120.500 0.093 0.000 2.513 180 R HA 0.698 5.038 4.340 -0.001 0.000 0.301 180 R C -0.702 175.623 176.300 0.041 0.000 0.968 180 R CA -0.983 55.163 56.100 0.077 0.000 0.872 180 R CB 1.016 31.358 30.300 0.071 0.000 1.177 180 R HN 0.607 nan 8.270 nan 0.000 0.444 181 L N 3.523 124.744 121.223 -0.002 0.000 2.474 181 L HA 0.186 4.525 4.340 -0.001 0.000 0.259 181 L C -1.280 175.578 176.870 -0.019 0.000 1.232 181 L CA -1.931 52.868 54.840 -0.068 0.000 0.821 181 L CB 0.251 42.182 42.059 -0.213 0.000 1.108 181 L HN 0.408 nan 8.230 nan 0.000 0.495 182 P HA -0.213 nan 4.420 nan 0.000 0.217 182 P C 0.701 178.007 177.300 0.010 0.000 1.158 182 P CA 1.496 64.607 63.100 0.018 0.000 0.887 182 P CB 0.103 31.826 31.700 0.039 0.000 0.792 183 K N -1.823 118.576 120.400 -0.002 0.000 2.505 183 K HA 0.214 4.534 4.320 -0.001 0.000 0.192 183 K C 1.494 178.094 176.600 0.001 0.000 1.025 183 K CA 0.960 57.244 56.287 -0.004 0.000 1.086 183 K CB -0.398 32.093 32.500 -0.015 0.000 0.840 183 K HN 0.314 nan 8.250 nan 0.000 0.514 184 G N 0.712 109.517 108.800 0.008 0.000 2.259 184 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.217 184 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.217 184 G C 0.302 175.224 174.900 0.036 0.000 1.001 184 G CA 0.034 45.149 45.100 0.026 0.000 0.627 184 G HN 0.259 nan 8.290 nan 0.000 0.501 185 T N 2.916 117.479 114.554 0.016 0.000 2.866 185 T HA 0.386 4.736 4.350 -0.001 0.000 0.293 185 T C 0.924 175.669 174.700 0.076 0.000 1.005 185 T CA 0.332 62.452 62.100 0.033 0.000 1.162 185 T CB 0.692 69.560 68.868 -0.001 0.000 0.968 185 T HN 0.397 nan 8.240 nan 0.000 0.530 186 L N 3.480 124.776 121.223 0.123 0.000 2.395 186 L HA 0.524 4.864 4.340 -0.001 0.000 0.269 186 L C -0.257 176.720 176.870 0.179 0.000 1.133 186 L CA -0.658 54.270 54.840 0.146 0.000 0.812 186 L CB 0.412 42.574 42.059 0.171 0.000 1.125 186 L HN 0.674 nan 8.230 nan 0.000 0.452 187 Y N 2.060 122.370 120.300 0.017 0.000 2.544 187 Y HA 0.442 4.991 4.550 -0.001 0.000 0.342 187 Y C -1.079 174.824 175.900 0.005 0.000 1.062 187 Y CA -0.677 57.422 58.100 -0.002 0.000 1.023 187 Y CB 1.817 40.258 38.460 -0.032 0.000 1.308 187 Y HN 0.558 nan 8.280 nan 0.000 0.457 188 Q N 3.489 122.585 119.800 -1.172 0.000 2.313 188 Q HA 0.217 4.556 4.340 -0.001 0.000 0.255 188 Q C -0.688 174.715 176.000 -0.996 0.000 0.944 188 Q CA -0.169 55.123 55.803 -0.851 0.000 0.881 188 Q CB 2.304 30.835 28.738 -0.345 0.000 1.375 188 Q HN 0.982 nan 8.270 nan 0.000 0.422 189 T N 1.801 115.942 114.554 -0.688 0.000 2.665 189 T HA -0.107 4.243 4.350 -0.001 0.000 0.268 189 T C 0.097 174.699 174.700 -0.164 0.000 1.035 189 T CA 1.523 63.477 62.100 -0.243 0.000 1.151 189 T CB -0.017 68.868 68.868 0.029 0.000 0.862 189 T HN 0.482 nan 8.240 nan 0.000 0.438 190 D N -0.666 119.646 120.400 -0.147 0.000 2.861 190 D HA 0.221 4.860 4.640 -0.001 0.000 0.216 190 D C 0.631 176.890 176.300 -0.069 0.000 1.323 190 D CA -0.279 53.666 54.000 -0.092 0.000 0.917 190 D CB 1.966 42.738 40.800 -0.047 0.000 1.582 190 D HN -0.117 nan 8.370 nan 0.000 0.576 191 V N 2.414 122.297 119.914 -0.052 0.000 2.594 191 V HA 0.122 4.242 4.120 -0.001 0.000 0.253 191 V C 1.496 177.619 176.094 0.048 0.000 1.069 191 V CA 1.658 63.968 62.300 0.017 0.000 1.082 191 V CB -1.259 30.617 31.823 0.088 0.000 0.680 191 V HN 0.893 nan 8.190 nan 0.000 0.469 195 G N 1.064 109.901 108.800 0.060 0.000 2.356 195 G HA2 0.537 4.496 3.960 -0.001 0.000 0.281 195 G HA3 0.537 4.496 3.960 -0.001 0.000 0.281 195 G C -0.961 173.928 174.900 -0.018 0.000 1.246 195 G CA 0.013 45.107 45.100 -0.010 0.000 0.889 195 G HN 0.984 nan 8.290 nan 0.000 0.486 196 T N -0.026 114.479 114.554 -0.081 0.000 2.771 196 T HA 0.484 4.834 4.350 -0.001 0.000 0.291 196 T C 0.222 174.799 174.700 -0.205 0.000 0.954 196 T CA -0.116 61.934 62.100 -0.083 0.000 1.045 196 T CB 0.342 69.202 68.868 -0.013 0.000 0.917 196 T HN 0.353 nan 8.240 nan 0.000 0.484 197 Y N 2.683 122.832 120.300 -0.252 0.000 2.490 197 Y HA 0.175 4.724 4.550 -0.001 0.000 0.281 197 Y C 1.298 177.092 175.900 -0.176 0.000 1.174 197 Y CA 0.088 58.066 58.100 -0.204 0.000 1.295 197 Y CB -0.146 38.203 38.460 -0.185 0.000 1.062 197 Y HN 0.785 nan 8.280 nan 0.000 0.522 198 H N 0.324 119.440 119.070 0.076 0.000 2.966 198 H HA 0.287 4.843 4.556 -0.001 0.000 0.217 198 H C 0.205 175.524 175.328 -0.015 0.000 1.906 198 H CA 0.057 56.123 56.048 0.029 0.000 1.351 198 H CB -0.209 29.565 29.762 0.020 0.000 1.722 198 H HN 0.197 nan 8.280 nan 0.000 0.562 199 S N 0.739 116.464 115.700 0.041 0.000 2.715 199 S HA 0.306 4.775 4.470 -0.001 0.000 0.284 199 S C -1.410 173.139 174.600 -0.086 0.000 1.216 199 S CA -1.123 57.050 58.200 -0.045 0.000 0.970 199 S CB 1.390 64.524 63.200 -0.110 0.000 1.273 199 S HN 0.210 nan 8.310 nan 0.000 0.509 200 I N -0.816 119.641 120.570 -0.190 0.000 2.517 200 I HA 0.691 4.860 4.170 -0.001 0.000 0.280 200 I C 0.108 175.987 176.117 -0.397 0.000 1.061 200 I CA -0.709 60.456 61.300 -0.224 0.000 1.091 200 I CB -0.093 37.809 38.000 -0.164 0.000 1.205 200 I HN 0.922 nan 8.210 nan 0.000 0.459 201 I N 5.554 125.973 120.570 -0.251 0.000 5.684 201 I HA -0.234 3.935 4.170 -0.001 0.000 0.129 201 I C 1.201 177.168 176.117 -0.251 0.000 1.816 201 I CA 1.738 62.926 61.300 -0.186 0.000 2.039 201 I CB -1.107 36.827 38.000 -0.111 0.000 3.376 201 I HN 1.285 nan 8.210 nan 0.000 0.170 202 G N -1.357 107.272 108.800 -0.286 0.000 2.232 202 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.226 202 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.226 202 G C 0.725 175.576 174.900 -0.081 0.000 0.996 202 G CA 0.033 45.020 45.100 -0.188 0.000 0.626 202 G HN 1.488 nan 8.290 nan 0.000 0.509 203 G N -0.147 108.522 108.800 -0.217 0.000 2.504 203 G HA2 0.557 4.516 3.960 -0.001 0.000 0.288 203 G HA3 0.557 4.516 3.960 -0.001 0.000 0.288 203 G C -0.123 174.656 174.900 -0.202 0.000 1.182 203 G CA -0.221 44.716 45.100 -0.271 0.000 0.894 203 G HN 0.400 nan 8.290 nan 0.000 0.521 204 E N -0.587 119.528 120.200 -0.141 0.000 2.414 204 E HA 0.029 4.379 4.350 -0.001 0.000 0.263 204 E C 1.412 178.033 176.600 0.035 0.000 1.000 204 E CA -0.434 55.936 56.400 -0.050 0.000 0.914 204 E CB 1.398 31.069 29.700 -0.048 0.000 0.948 204 E HN 0.160 nan 8.360 nan 0.000 0.444 205 V N 4.056 123.986 119.914 0.026 0.000 2.287 205 V HA -0.292 3.827 4.120 -0.001 0.000 0.248 205 V C 1.948 178.111 176.094 0.114 0.000 1.053 205 V CA 1.772 64.109 62.300 0.063 0.000 1.027 205 V CB -0.456 31.390 31.823 0.038 0.000 0.646 205 V HN 0.644 nan 8.190 nan 0.000 0.447 206 E N 0.127 120.374 120.200 0.078 0.000 2.077 206 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 206 E C 2.282 178.942 176.600 0.100 0.000 0.989 206 E CA 1.880 58.325 56.400 0.075 0.000 0.800 206 E CB -0.956 28.768 29.700 0.040 0.000 0.746 206 E HN 0.617 nan 8.360 nan 0.000 0.452 207 T N 1.133 115.751 114.554 0.106 0.000 2.622 207 T HA -0.143 4.207 4.350 -0.001 0.000 0.266 207 T C 1.802 176.584 174.700 0.137 0.000 1.047 207 T CA 1.386 63.543 62.100 0.095 0.000 1.159 207 T CB -0.534 68.384 68.868 0.084 0.000 0.863 207 T HN 0.111 nan 8.240 nan 0.000 0.422 208 F N 0.231 120.224 119.950 0.071 0.000 2.234 208 F HA 0.041 4.567 4.527 -0.001 0.000 0.299 208 F C 2.061 178.023 175.800 0.269 0.000 1.087 208 F CA 0.215 58.320 58.000 0.175 0.000 1.340 208 F CB -0.187 38.943 39.000 0.217 0.000 1.031 208 F HN 0.062 nan 8.300 nan 0.000 0.500 209 L N -0.043 121.387 121.223 0.346 0.000 2.141 209 L HA -0.059 4.280 4.340 -0.001 0.000 0.209 209 L C 2.374 179.364 176.870 0.201 0.000 1.094 209 L CA 1.629 56.627 54.840 0.263 0.000 0.763 209 L CB -1.106 41.044 42.059 0.151 0.000 0.908 209 L HN 0.057 nan 8.230 nan 0.000 0.437 210 A N -0.966 121.931 122.820 0.129 0.000 1.968 210 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 210 A C 2.439 180.040 177.584 0.029 0.000 1.169 210 A CA 1.119 53.194 52.037 0.064 0.000 0.638 210 A CB -0.497 18.521 19.000 0.030 0.000 0.812 210 A HN 0.330 nan 8.150 nan 0.000 0.446 211 R N -0.662 119.833 120.500 -0.009 0.000 2.073 211 R HA -0.105 4.235 4.340 -0.001 0.000 0.234 211 R C 1.629 177.824 176.300 -0.175 0.000 1.134 211 R CA 1.821 57.825 56.100 -0.160 0.000 0.952 211 R CB -0.804 29.290 30.300 -0.344 0.000 0.850 211 R HN 0.513 nan 8.270 nan 0.000 0.433 212 F N 0.424 120.375 119.950 0.002 0.000 2.325 212 F HA -0.000 4.527 4.527 -0.001 0.000 0.299 212 F C 2.260 178.067 175.800 0.012 0.000 1.090 212 F CA 0.660 58.671 58.000 0.017 0.000 1.392 212 F CB -0.040 38.987 39.000 0.045 0.000 1.053 212 F HN -0.045 nan 8.300 nan 0.000 0.521 213 L N -0.826 120.502 121.223 0.175 0.000 2.209 213 L HA -0.066 4.273 4.340 -0.001 0.000 0.207 213 L C 2.397 179.299 176.870 0.054 0.000 1.094 213 L CA 1.617 56.520 54.840 0.106 0.000 0.790 213 L CB -0.647 41.465 42.059 0.088 0.000 0.932 213 L HN 0.230 nan 8.230 nan 0.000 0.447 214 T N -4.981 109.589 114.554 0.026 0.000 2.990 214 T HA 0.200 4.550 4.350 -0.001 0.000 0.249 214 T C 1.508 176.198 174.700 -0.017 0.000 1.039 214 T CA 0.596 62.698 62.100 0.004 0.000 1.036 214 T CB 0.739 69.605 68.868 -0.004 0.000 0.994 214 T HN 0.345 nan 8.240 nan 0.000 0.489 215 G N 1.703 110.477 108.800 -0.043 0.000 2.148 215 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.254 215 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.254 215 G C 0.055 174.915 174.900 -0.067 0.000 0.981 215 G CA 0.135 45.195 45.100 -0.067 0.000 0.670 215 G HN 0.732 nan 8.290 nan 0.000 0.528 216 R N 0.928 121.391 120.500 -0.062 0.000 2.589 216 R HA 0.532 4.871 4.340 -0.001 0.000 0.293 216 R C -2.150 174.107 176.300 -0.071 0.000 0.963 216 R CA -1.877 54.191 56.100 -0.054 0.000 0.905 216 R CB 1.502 31.782 30.300 -0.033 0.000 1.144 216 R HN 0.108 nan 8.270 nan 0.000 0.459 217 P HA -0.134 nan 4.420 nan 0.000 0.261 217 P C -1.142 176.118 177.300 -0.067 0.000 1.173 217 P CA 0.418 63.476 63.100 -0.070 0.000 0.760 217 P CB 0.724 32.398 31.700 -0.045 0.000 0.783 218 Q N 2.837 122.583 119.800 -0.090 0.000 2.303 218 Q HA 0.374 4.713 4.340 -0.001 0.000 0.267 218 Q C -2.318 173.646 176.000 -0.060 0.000 1.011 218 Q CA -1.776 53.980 55.803 -0.079 0.000 0.740 218 Q CB 1.191 29.863 28.738 -0.111 0.000 1.250 218 Q HN 0.399 nan 8.270 nan 0.000 0.458 219 P HA -0.004 nan 4.420 nan 0.000 0.265 219 P C -0.478 176.854 177.300 0.054 0.000 1.187 219 P CA -0.097 63.021 63.100 0.030 0.000 0.766 219 P CB 0.285 32.000 31.700 0.026 0.000 0.820 220 F N 3.801 123.753 119.950 0.005 0.000 2.529 220 F HA 0.215 4.742 4.527 -0.001 0.000 0.365 220 F C 0.532 176.385 175.800 0.089 0.000 1.102 220 F CA 0.093 58.137 58.000 0.073 0.000 1.271 220 F CB 0.491 39.548 39.000 0.096 0.000 1.120 220 F HN 0.190 nan 8.300 nan 0.000 0.579 221 R N 5.266 125.211 120.500 -0.925 0.000 2.483 221 R HA 0.563 4.902 4.340 -0.001 0.000 0.303 221 R C -0.685 175.084 176.300 -0.885 0.000 0.987 221 R CA -1.016 54.711 56.100 -0.622 0.000 0.881 221 R CB 1.529 31.673 30.300 -0.261 0.000 1.177 221 R HN 0.788 nan 8.270 nan 0.000 0.451 222 A N 2.200 124.700 122.820 -0.533 0.000 2.483 222 A HA 0.521 4.841 4.320 -0.001 0.000 0.238 222 A C 0.170 177.668 177.584 -0.143 0.000 1.070 222 A CA -0.104 51.814 52.037 -0.199 0.000 0.770 222 A CB 0.382 19.448 19.000 0.110 0.000 1.008 222 A HN 0.775 nan 8.150 nan 0.000 0.497 223 A N 1.802 124.569 122.820 -0.089 0.000 2.303 223 A HA 0.628 4.948 4.320 -0.001 0.000 0.317 223 A C -0.134 177.442 177.584 -0.013 0.000 1.149 223 A CA -0.571 51.433 52.037 -0.056 0.000 0.822 223 A CB 0.546 19.512 19.000 -0.056 0.000 1.131 223 A HN 0.802 nan 8.150 nan 0.000 0.493 224 Q N 0.044 119.846 119.800 0.004 0.000 2.306 224 Q HA 0.758 5.097 4.340 -0.001 0.000 0.265 224 Q C 0.066 176.096 176.000 0.050 0.000 1.022 224 Q CA 0.051 55.868 55.803 0.024 0.000 0.853 224 Q CB 1.979 30.729 28.738 0.019 0.000 1.327 224 Q HN 1.389 nan 8.270 nan 0.000 0.449 225 G N 0.807 109.651 108.800 0.073 0.000 2.320 225 G HA2 0.091 4.051 3.960 -0.001 0.000 0.297 225 G HA3 0.091 4.051 3.960 -0.001 0.000 0.297 225 G C -1.389 173.597 174.900 0.143 0.000 1.344 225 G CA -0.965 44.212 45.100 0.129 0.000 0.851 225 G HN 0.247 nan 8.290 nan 0.000 0.567 226 K N 0.403 120.924 120.400 0.203 0.000 2.412 226 K HA 0.524 4.844 4.320 -0.001 0.000 0.281 226 K C 0.650 177.296 176.600 0.078 0.000 1.027 226 K CA 0.393 56.758 56.287 0.131 0.000 0.989 226 K CB 1.390 33.965 32.500 0.126 0.000 0.935 226 K HN 0.839 nan 8.250 nan 0.000 0.475 227 A N 4.262 127.117 122.820 0.058 0.000 2.247 227 A HA 0.616 4.936 4.320 -0.001 0.000 0.313 227 A C -0.176 177.447 177.584 0.064 0.000 1.109 227 A CA -0.547 51.534 52.037 0.074 0.000 0.890 227 A CB 0.855 19.930 19.000 0.125 0.000 1.239 227 A HN 0.691 nan 8.150 nan 0.000 0.506 228 R N -0.921 119.680 120.500 0.169 0.000 2.686 228 R HA 0.383 4.723 4.340 -0.001 0.000 0.283 228 R C -2.017 174.450 176.300 0.279 0.000 0.978 228 R CA -0.399 55.783 56.100 0.138 0.000 0.897 228 R CB 2.031 32.400 30.300 0.115 0.000 1.192 228 R HN 0.632 nan 8.270 nan 0.000 0.457 229 F N 3.743 123.779 119.950 0.142 0.000 2.385 229 F HA 0.325 4.852 4.527 -0.001 0.000 0.360 229 F C -0.464 175.380 175.800 0.074 0.000 1.122 229 F CA -0.298 57.850 58.000 0.247 0.000 1.090 229 F CB 0.509 39.793 39.000 0.474 0.000 1.150 229 F HN 0.346 nan 8.300 nan 0.000 0.472 230 H N 5.249 124.257 119.070 -0.103 0.000 2.505 230 H HA 0.795 5.350 4.556 -0.001 0.000 0.338 230 H C -0.739 174.508 175.328 -0.136 0.000 1.057 230 H CA -0.450 55.601 56.048 0.004 0.000 1.202 230 H CB 1.619 31.426 29.762 0.075 0.000 1.466 230 H HN 0.826 nan 8.280 nan 0.000 0.499 231 A N 2.257 125.187 122.820 0.182 0.000 2.568 231 A HA 0.678 4.998 4.320 -0.001 0.000 0.291 231 A C -0.972 176.739 177.584 0.213 0.000 1.159 231 A CA -0.660 51.450 52.037 0.122 0.000 0.679 231 A CB 1.748 20.744 19.000 -0.005 0.000 1.285 231 A HN 0.505 nan 8.150 nan 0.000 0.428 232 T N 1.595 116.241 114.554 0.153 0.000 2.928 232 T HA 0.460 4.809 4.350 -0.001 0.000 0.296 232 T C -0.977 173.758 174.700 0.058 0.000 1.000 232 T CA -0.371 61.801 62.100 0.121 0.000 0.989 232 T CB 1.219 70.129 68.868 0.069 0.000 1.005 232 T HN 0.590 nan 8.240 nan 0.000 0.442 233 E N 2.595 122.836 120.200 0.068 0.000 2.301 233 E HA 0.538 4.888 4.350 -0.001 0.000 0.275 233 E C -0.709 175.873 176.600 -0.030 0.000 1.030 233 E CA -0.574 55.843 56.400 0.028 0.000 0.852 233 E CB 1.279 31.064 29.700 0.141 0.000 1.060 233 E HN 0.402 nan 8.360 nan 0.000 0.401 234 L N 2.251 123.390 121.223 -0.140 0.000 2.410 234 L HA 0.446 4.785 4.340 -0.001 0.000 0.270 234 L C -0.947 175.627 176.870 -0.494 0.000 0.983 234 L CA -1.088 53.549 54.840 -0.340 0.000 0.822 234 L CB 1.975 43.708 42.059 -0.544 0.000 1.285 234 L HN 0.264 nan 8.230 nan 0.000 0.409 235 V N 3.053 122.734 119.914 -0.387 0.000 2.384 235 V HA 0.491 4.610 4.120 -0.001 0.000 0.287 235 V C -0.824 175.161 176.094 -0.183 0.000 1.020 235 V CA -0.383 61.751 62.300 -0.276 0.000 0.850 235 V CB 1.372 33.147 31.823 -0.079 0.000 0.987 235 V HN 0.344 nan 8.190 nan 0.000 0.436 236 F N 2.803 122.629 119.950 -0.207 0.000 2.493 236 F HA 0.731 5.258 4.527 -0.001 0.000 0.329 236 F C 0.323 175.967 175.800 -0.259 0.000 1.126 236 F CA -1.374 56.395 58.000 -0.386 0.000 0.937 236 F CB 1.694 40.018 39.000 -1.126 0.000 1.146 236 F HN 0.485 nan 8.300 nan 0.000 0.442 237 E N -0.085 120.231 120.200 0.194 0.000 2.390 237 E HA 0.510 4.860 4.350 -0.001 0.000 0.277 237 E C 0.179 176.937 176.600 0.263 0.000 0.939 237 E CA -0.743 55.791 56.400 0.223 0.000 0.769 237 E CB 2.271 32.045 29.700 0.123 0.000 1.251 237 E HN 0.717 nan 8.360 nan 0.000 0.450 238 G N 0.863 109.799 108.800 0.227 0.000 2.233 238 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.270 238 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.270 238 G C 0.937 175.921 174.900 0.139 0.000 1.011 238 G CA 0.931 46.121 45.100 0.149 0.000 0.762 238 G HN 1.373 nan 8.290 nan 0.000 0.511 239 G N -2.105 106.832 108.800 0.228 0.000 2.184 239 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.264 239 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.264 239 G C 0.402 175.394 174.900 0.153 0.000 0.975 239 G CA 0.999 46.110 45.100 0.018 0.000 0.642 239 G HN 0.969 nan 8.290 nan 0.000 0.536 240 R N 0.284 120.940 120.500 0.260 0.000 2.637 240 R HA 0.500 4.840 4.340 -0.001 0.000 0.291 240 R C -2.727 173.710 176.300 0.228 0.000 0.963 240 R CA -2.400 53.809 56.100 0.181 0.000 0.901 240 R CB 1.699 32.070 30.300 0.118 0.000 1.160 240 R HN 0.122 nan 8.270 nan 0.000 0.457 241 P HA 0.062 nan 4.420 nan 0.000 0.275 241 P C 0.517 177.951 177.300 0.223 0.000 1.276 241 P CA -0.034 63.226 63.100 0.266 0.000 0.782 241 P CB 0.875 32.681 31.700 0.177 0.000 0.851 242 V N 3.099 123.150 119.914 0.228 0.000 2.446 242 V HA 0.165 4.284 4.120 -0.001 0.000 0.244 242 V C 1.135 177.289 176.094 0.099 0.000 1.039 242 V CA 2.022 64.401 62.300 0.133 0.000 1.045 242 V CB -0.422 31.461 31.823 0.100 0.000 0.681 242 V HN 0.772 nan 8.190 nan 0.000 0.459 243 A N -0.870 122.003 122.820 0.089 0.000 2.608 243 A HA 0.725 5.044 4.320 -0.001 0.000 0.292 243 A C -1.607 176.003 177.584 0.043 0.000 1.066 243 A CA -0.316 51.758 52.037 0.062 0.000 0.676 243 A CB 1.592 20.618 19.000 0.043 0.000 1.277 243 A HN 0.115 nan 8.150 nan 0.000 0.413 244 I N 0.797 121.397 120.570 0.051 0.000 2.533 244 I HA 0.683 4.853 4.170 -0.001 0.000 0.290 244 I C -1.127 175.021 176.117 0.052 0.000 1.056 244 I CA -0.214 61.112 61.300 0.043 0.000 1.057 244 I CB 1.995 40.025 38.000 0.051 0.000 1.240 244 I HN 0.518 nan 8.210 nan 0.000 0.423 245 S N 7.774 123.512 115.700 0.064 0.000 2.736 245 S HA 0.476 4.946 4.470 -0.001 0.000 0.285 245 S C -2.632 172.047 174.600 0.131 0.000 1.163 245 S CA -0.874 57.383 58.200 0.094 0.000 1.025 245 S CB 1.912 65.180 63.200 0.113 0.000 1.030 245 S HN 0.416 nan 8.310 nan 0.000 0.486 246 P HA 0.253 nan 4.420 nan 0.000 0.269 246 P C -1.273 176.170 177.300 0.239 0.000 1.215 246 P CA -0.114 63.079 63.100 0.155 0.000 0.780 246 P CB 0.312 32.077 31.700 0.108 0.000 0.898 247 Y N 1.578 121.964 120.300 0.145 0.000 2.524 247 Y HA 0.614 5.163 4.550 -0.001 0.000 0.347 247 Y C -1.563 174.446 175.900 0.181 0.000 1.005 247 Y CA -0.716 57.491 58.100 0.178 0.000 1.025 247 Y CB 1.594 40.192 38.460 0.230 0.000 1.275 247 Y HN 0.102 nan 8.280 nan 0.000 0.460 248 V N 4.507 124.132 119.914 -0.482 0.000 2.808 248 V HA 0.357 4.477 4.120 -0.001 0.000 0.308 248 V C -1.801 174.075 176.094 -0.363 0.000 1.099 248 V CA -1.000 61.099 62.300 -0.336 0.000 0.920 248 V CB 2.036 33.690 31.823 -0.283 0.000 1.014 248 V HN 0.803 nan 8.190 nan 0.000 0.425 249 W N 3.317 124.438 121.300 -0.298 0.000 3.042 249 W HA 0.639 5.299 4.660 -0.001 0.000 0.337 249 W C -0.660 175.718 176.519 -0.234 0.000 1.086 249 W CA -0.196 56.949 57.345 -0.333 0.000 1.236 249 W CB 1.607 30.716 29.460 -0.585 0.000 1.381 249 W HN 0.608 nan 8.180 nan 0.000 0.472 250 E N 3.483 123.120 120.200 -0.939 0.000 2.191 250 E HA 0.100 4.450 4.350 -0.001 0.000 0.278 250 E C -0.651 175.087 176.600 -1.438 0.000 0.972 250 E CA -0.801 55.089 56.400 -0.849 0.000 0.804 250 E CB 1.877 31.272 29.700 -0.508 0.000 1.110 250 E HN 0.440 nan 8.360 nan 0.000 0.394 251 E N 4.532 124.136 120.200 -0.994 0.000 2.344 251 E HA 0.111 4.461 4.350 -0.001 0.000 0.270 251 E C -1.917 174.417 176.600 -0.444 0.000 1.021 251 E CA -1.581 54.336 56.400 -0.806 0.000 0.887 251 E CB 0.629 30.198 29.700 -0.219 0.000 0.997 251 E HN 0.258 nan 8.360 nan 0.000 0.429 252 P HA 0.000 nan 4.420 nan 0.000 0.216 252 P CA 0.000 62.999 63.100 -0.169 0.000 0.800 252 P CB 0.000 31.635 31.700 -0.109 0.000 0.726