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 2gpw_1_B DATA FIRST_RESID -3 DATA SEQUENCE RGSHMLDKIV IANRGEIALR ILRACKELGI KTVAVHSSAD RDLKHVLLAD DATA SEQUENCE ETVCIGPAPS VKSYLNIPAI ISAAEITGAV AIHPGYGFLS ENANFAEQVE DATA SEQUENCE RSGFIFIGPK AETIRLMGDK VSAIAAMKKA GVPCVPGSDG PLGDDMDKNR DATA SEQUENCE AIAKRIGYPV IIKASGXXXX XGMRVVRGDA ELAQSISMTR AEAKAXXXXD DATA SEQUENCE MVYMEKYLEN PRHVEIQVLA DGQGNAIYLA ERDCSMQRRH QKVVEEAPAP DATA SEQUENCE GITPELRRYI GERCAKACVD IGYRGAGTFE FLFENGEFYF IEMNTRIQVE DATA SEQUENCE HPVTEMITGV DLIKEQLRIA AGQPLSIKQE EVHVRGHAVE CRINAEDPNT DATA SEQUENCE FLPSPGKITR FHAPGGAGVR WESHIYAGYT VPPYYDSMIG KLICYGENRD DATA SEQUENCE VAIARMKNAL QELIIDGIKT NVDLQIRIMN DENFQHGGTN IHYLEKKLGL DATA SEQUENCE Q 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 -3 R HA 0.000 nan 4.340 nan 0.000 0.208 -3 R C 0.000 176.298 176.300 -0.004 0.000 0.893 -3 R CA 0.000 56.101 56.100 0.001 0.000 0.921 -3 R CB 0.000 30.299 30.300 -0.001 0.000 0.687 -2 G N 0.424 109.226 108.800 0.002 0.000 1.968 -2 G HA2 0.125 4.085 3.960 0.001 0.000 0.183 -2 G HA3 0.125 4.085 3.960 0.001 0.000 0.183 -2 G C -0.406 174.506 174.900 0.020 0.000 1.665 -2 G CA 0.075 45.175 45.100 0.000 0.000 1.015 -2 G HN 0.387 nan 8.290 nan 0.000 0.624 -1 S N 0.705 116.431 115.700 0.044 0.000 2.684 -1 S HA 0.397 4.867 4.470 0.001 0.000 0.268 -1 S C 0.002 174.681 174.600 0.132 0.000 1.075 -1 S CA 0.912 59.151 58.200 0.065 0.000 1.184 -1 S CB 0.253 63.488 63.200 0.058 0.000 1.129 -1 S HN 1.806 nan 8.310 nan 0.000 0.630 0 H N -0.369 118.703 119.070 0.003 0.000 3.041 0 H HA 0.260 4.816 4.556 0.001 0.000 0.293 0 H C 0.299 175.630 175.328 0.004 0.000 1.166 0 H CA -0.166 55.884 56.048 0.003 0.000 1.529 0 H CB 0.050 29.813 29.762 0.003 0.000 2.050 0 H HN 0.011 nan 8.280 nan 0.000 0.505 1 M N 2.972 122.213 119.600 -0.598 0.000 2.106 1 M HA -0.018 4.462 4.480 0.001 0.000 0.259 1 M C 0.038 176.140 176.300 -0.330 0.000 1.068 1 M CA 1.587 56.654 55.300 -0.389 0.000 1.100 1 M CB -0.026 32.376 32.600 -0.330 0.000 1.351 1 M HN 0.589 nan 8.290 nan 0.000 0.404 2 L N 1.522 122.434 121.223 -0.518 0.000 2.400 2 L HA -0.045 4.296 4.340 0.001 0.000 0.262 2 L C 0.754 177.668 176.870 0.072 0.000 1.309 2 L CA -0.539 54.257 54.840 -0.073 0.000 1.186 2 L CB -0.781 41.356 42.059 0.130 0.000 1.375 2 L HN 0.256 nan 8.230 nan 0.000 0.433 3 D N 1.845 122.254 120.400 0.015 0.000 2.154 3 D HA -0.189 4.451 4.640 0.001 0.000 0.190 3 D C 0.944 177.279 176.300 0.059 0.000 1.003 3 D CA 1.673 55.697 54.000 0.040 0.000 0.849 3 D CB 0.366 41.179 40.800 0.022 0.000 0.942 3 D HN 0.411 nan 8.370 nan 0.000 0.446 4 K N -0.830 119.603 120.400 0.054 0.000 2.498 4 K HA 0.478 4.799 4.320 0.001 0.000 0.254 4 K C -1.412 175.211 176.600 0.038 0.000 0.933 4 K CA -0.787 55.526 56.287 0.043 0.000 0.806 4 K CB 1.598 34.117 32.500 0.032 0.000 1.301 4 K HN 0.089 nan 8.250 nan 0.000 0.432 5 I N -0.149 120.438 120.570 0.027 0.000 2.802 5 I HA 0.456 4.627 4.170 0.001 0.000 0.298 5 I C -1.254 174.860 176.117 -0.005 0.000 1.176 5 I CA -1.030 60.278 61.300 0.013 0.000 1.025 5 I CB 2.167 40.191 38.000 0.041 0.000 1.243 5 I HN 0.179 nan 8.210 nan 0.000 0.424 6 V N 5.938 125.833 119.914 -0.032 0.000 2.461 6 V HA 0.355 4.476 4.120 0.001 0.000 0.275 6 V C 0.320 176.421 176.094 0.011 0.000 1.047 6 V CA -0.229 62.054 62.300 -0.027 0.000 0.955 6 V CB 1.030 32.809 31.823 -0.073 0.000 0.988 6 V HN 0.537 nan 8.190 nan 0.000 0.471 7 I N 4.636 125.212 120.570 0.010 0.000 2.281 7 I HA 0.337 4.508 4.170 0.001 0.000 0.293 7 I C 0.867 176.976 176.117 -0.014 0.000 1.085 7 I CA -0.079 61.211 61.300 -0.018 0.000 1.257 7 I CB 1.073 39.039 38.000 -0.057 0.000 1.430 7 I HN 0.695 nan 8.210 nan 0.000 0.489 8 A N 6.537 129.360 122.820 0.005 0.000 3.126 8 A HA 0.396 4.717 4.320 0.001 0.000 0.268 8 A C 0.059 177.578 177.584 -0.108 0.000 1.605 8 A CA -0.042 51.988 52.037 -0.012 0.000 1.305 8 A CB -0.486 18.546 19.000 0.052 0.000 1.160 8 A HN 0.784 nan 8.150 nan 0.000 0.609 9 N N 0.103 118.689 118.700 -0.190 0.000 3.387 9 N HA 0.386 5.126 4.740 0.001 0.000 0.294 9 N C -0.942 174.255 175.510 -0.523 0.000 1.519 9 N CA -0.387 52.410 53.050 -0.421 0.000 0.875 9 N CB 1.299 39.564 38.487 -0.369 0.000 1.657 9 N HN 0.685 nan 8.380 nan 0.000 0.527 10 R N -0.855 119.246 120.500 -0.665 0.000 2.962 10 R HA 0.746 5.086 4.340 0.001 0.000 0.256 10 R C 0.627 176.575 176.300 -0.587 0.000 1.199 10 R CA -0.023 55.709 56.100 -0.613 0.000 1.012 10 R CB -0.011 29.783 30.300 -0.843 0.000 1.289 10 R HN 0.665 nan 8.270 nan 0.000 0.462 11 G N 0.890 109.312 108.800 -0.630 0.000 2.582 11 G HA2 -0.473 3.488 3.960 0.001 0.000 0.288 11 G HA3 -0.473 3.488 3.960 0.001 0.000 0.288 11 G C 0.687 175.192 174.900 -0.659 0.000 1.247 11 G CA 1.115 45.629 45.100 -0.978 0.000 0.972 11 G HN 0.993 nan 8.290 nan 0.000 0.557 12 E N -0.307 119.709 120.200 -0.306 0.000 2.072 12 E HA 0.040 4.391 4.350 0.001 0.000 0.191 12 E C 2.481 178.965 176.600 -0.193 0.000 0.985 12 E CA 2.016 58.357 56.400 -0.098 0.000 0.801 12 E CB -0.191 29.510 29.700 0.002 0.000 0.750 12 E HN 0.787 nan 8.360 nan 0.000 0.452 13 I N 0.886 121.287 120.570 -0.282 0.000 2.394 13 I HA -0.055 4.116 4.170 0.001 0.000 0.251 13 I C 2.194 178.046 176.117 -0.440 0.000 1.136 13 I CA 1.248 62.322 61.300 -0.378 0.000 1.425 13 I CB -0.680 36.835 38.000 -0.808 0.000 1.079 13 I HN 0.242 nan 8.210 nan 0.000 0.425 14 A N 0.121 122.608 122.820 -0.554 0.000 1.877 14 A HA -0.195 4.126 4.320 0.001 0.000 0.216 14 A C 2.236 179.494 177.584 -0.543 0.000 1.186 14 A CA 1.913 53.517 52.037 -0.721 0.000 0.620 14 A CB -1.147 17.042 19.000 -1.352 0.000 0.822 14 A HN 0.482 nan 8.150 nan 0.000 0.443 15 L N -0.227 120.760 121.223 -0.394 0.000 2.083 15 L HA -0.113 4.228 4.340 0.001 0.000 0.209 15 L C 2.381 179.173 176.870 -0.129 0.000 1.083 15 L CA 2.468 57.217 54.840 -0.152 0.000 0.752 15 L CB -0.641 41.375 42.059 -0.071 0.000 0.899 15 L HN 0.423 nan 8.230 nan 0.000 0.433 16 R N 0.149 120.557 120.500 -0.153 0.000 2.080 16 R HA -0.138 4.202 4.340 0.001 0.000 0.236 16 R C 2.152 178.371 176.300 -0.135 0.000 1.137 16 R CA 2.302 58.343 56.100 -0.099 0.000 0.943 16 R CB -0.851 29.420 30.300 -0.048 0.000 0.846 16 R HN 0.511 nan 8.270 nan 0.000 0.431 17 I N 0.367 120.795 120.570 -0.237 0.000 2.226 17 I HA -0.233 3.938 4.170 0.001 0.000 0.245 17 I C 2.333 178.351 176.117 -0.165 0.000 1.100 17 I CA 1.089 62.221 61.300 -0.281 0.000 1.374 17 I CB -0.297 37.410 38.000 -0.488 0.000 1.057 17 I HN 0.244 nan 8.210 nan 0.000 0.413 18 L N 0.852 121.996 121.223 -0.132 0.000 2.012 18 L HA -0.264 4.076 4.340 0.001 0.000 0.210 18 L C 2.783 179.629 176.870 -0.041 0.000 1.073 18 L CA 1.718 56.526 54.840 -0.054 0.000 0.748 18 L CB -0.282 41.780 42.059 0.005 0.000 0.891 18 L HN 0.106 nan 8.230 nan 0.000 0.431 19 R N -0.378 120.096 120.500 -0.043 0.000 2.081 19 R HA -0.136 4.204 4.340 0.001 0.000 0.235 19 R C 2.365 178.644 176.300 -0.035 0.000 1.131 19 R CA 1.284 57.367 56.100 -0.029 0.000 0.960 19 R CB -0.601 29.687 30.300 -0.021 0.000 0.856 19 R HN 0.567 nan 8.270 nan 0.000 0.436 20 A N 0.623 123.414 122.820 -0.049 0.000 1.908 20 A HA -0.206 4.114 4.320 0.001 0.000 0.218 20 A C 2.392 179.941 177.584 -0.059 0.000 1.181 20 A CA 1.583 53.589 52.037 -0.052 0.000 0.627 20 A CB -0.887 18.077 19.000 -0.061 0.000 0.818 20 A HN 0.465 nan 8.150 nan 0.000 0.445 21 C N -0.869 118.399 119.300 -0.053 0.000 2.432 21 C HA -0.083 4.378 4.460 0.001 0.000 0.277 21 C C 2.701 177.672 174.990 -0.031 0.000 1.249 21 C CA 1.281 60.274 59.018 -0.041 0.000 1.725 21 C CB -1.087 26.640 27.740 -0.021 0.000 2.028 21 C HN 0.631 nan 8.230 nan 0.000 0.477 22 K N 0.696 121.082 120.400 -0.023 0.000 2.020 22 K HA -0.211 4.109 4.320 0.001 0.000 0.212 22 K C 1.928 178.517 176.600 -0.018 0.000 1.050 22 K CA 1.781 58.060 56.287 -0.015 0.000 0.929 22 K CB -0.307 32.186 32.500 -0.011 0.000 0.714 22 K HN 0.575 nan 8.250 nan 0.000 0.443 23 E N 0.419 120.604 120.200 -0.025 0.000 2.147 23 E HA -0.212 4.139 4.350 0.001 0.000 0.199 23 E C 1.731 178.310 176.600 -0.034 0.000 1.005 23 E CA 1.119 57.503 56.400 -0.027 0.000 0.810 23 E CB -0.056 29.625 29.700 -0.031 0.000 0.736 23 E HN 0.295 nan 8.360 nan 0.000 0.460 24 L N -1.000 120.193 121.223 -0.051 0.000 2.567 24 L HA 0.166 4.507 4.340 0.001 0.000 0.225 24 L C 1.251 178.109 176.870 -0.020 0.000 1.119 24 L CA 0.309 55.110 54.840 -0.065 0.000 0.871 24 L CB 0.208 42.169 42.059 -0.164 0.000 1.036 24 L HN 0.289 nan 8.230 nan 0.000 0.459 25 G N 1.362 110.159 108.800 -0.007 0.000 2.149 25 G HA2 -0.265 3.695 3.960 0.001 0.000 0.235 25 G HA3 -0.265 3.695 3.960 0.001 0.000 0.235 25 G C 0.062 174.980 174.900 0.030 0.000 1.018 25 G CA -0.263 44.845 45.100 0.014 0.000 0.728 25 G HN 0.282 nan 8.290 nan 0.000 0.508 26 I N 0.462 121.048 120.570 0.025 0.000 2.325 26 I HA 0.307 4.477 4.170 0.001 0.000 0.291 26 I C 0.684 176.819 176.117 0.030 0.000 1.019 26 I CA -0.794 60.534 61.300 0.047 0.000 1.302 26 I CB 1.073 39.104 38.000 0.052 0.000 1.401 26 I HN -0.067 nan 8.210 nan 0.000 0.485 27 K N 4.077 124.496 120.400 0.033 0.000 2.382 27 K HA 0.206 4.527 4.320 0.001 0.000 0.275 27 K C 0.070 176.682 176.600 0.019 0.000 1.009 27 K CA -0.036 56.264 56.287 0.021 0.000 0.970 27 K CB 0.558 33.070 32.500 0.020 0.000 0.934 27 K HN 0.676 nan 8.250 nan 0.000 0.479 28 T N -1.638 112.923 114.554 0.013 0.000 2.855 28 T HA 0.591 4.941 4.350 0.001 0.000 0.281 28 T C -0.541 174.166 174.700 0.012 0.000 1.007 28 T CA -0.987 61.121 62.100 0.014 0.000 1.009 28 T CB 1.193 70.071 68.868 0.017 0.000 0.983 28 T HN 0.108 nan 8.240 nan 0.000 0.455 29 V N 2.049 121.970 119.914 0.013 0.000 2.407 29 V HA 0.690 4.810 4.120 0.001 0.000 0.291 29 V C 0.163 176.273 176.094 0.028 0.000 1.018 29 V CA -0.996 61.308 62.300 0.007 0.000 0.842 29 V CB 1.175 32.990 31.823 -0.014 0.000 0.996 29 V HN 1.262 nan 8.190 nan 0.000 0.426 30 A N 5.506 128.349 122.820 0.039 0.000 2.260 30 A HA 0.728 5.049 4.320 0.001 0.000 0.312 30 A C -0.153 177.488 177.584 0.095 0.000 1.321 30 A CA -0.476 51.615 52.037 0.089 0.000 0.928 30 A CB 0.707 19.687 19.000 -0.033 0.000 1.158 30 A HN 1.124 nan 8.150 nan 0.000 0.542 31 V N 2.225 122.186 119.914 0.079 0.000 2.465 31 V HA 0.773 4.893 4.120 0.001 0.000 0.279 31 V C -0.291 175.823 176.094 0.034 0.000 1.045 31 V CA -0.367 61.916 62.300 -0.028 0.000 0.938 31 V CB 0.205 31.977 31.823 -0.085 0.000 0.986 31 V HN 1.095 nan 8.190 nan 0.000 0.467 32 H N 1.467 120.474 119.070 -0.106 0.000 2.980 32 H HA 0.810 5.367 4.556 0.001 0.000 0.367 32 H C -0.175 174.987 175.328 -0.276 0.000 1.206 32 H CA -0.195 55.790 56.048 -0.105 0.000 1.126 32 H CB 1.253 31.015 29.762 -0.000 0.000 1.838 32 H HN 0.875 nan 8.280 nan 0.000 0.552 33 S N 0.530 116.104 115.700 -0.210 0.000 2.632 33 S HA 0.130 4.601 4.470 0.001 0.000 0.267 33 S C 1.461 176.126 174.600 0.108 0.000 1.276 33 S CA -0.083 57.999 58.200 -0.197 0.000 0.998 33 S CB 1.453 64.614 63.200 -0.066 0.000 0.953 33 S HN 0.862 nan 8.310 nan 0.000 0.547 34 S N 1.611 117.320 115.700 0.015 0.000 2.365 34 S HA -0.175 4.296 4.470 0.001 0.000 0.225 34 S C 2.067 176.733 174.600 0.110 0.000 1.039 34 S CA 1.628 59.868 58.200 0.068 0.000 1.033 34 S CB -1.319 61.871 63.200 -0.016 0.000 0.887 34 S HN 1.099 nan 8.310 nan 0.000 0.447 35 A N 0.480 123.344 122.820 0.073 0.000 2.070 35 A HA -0.021 4.300 4.320 0.001 0.000 0.220 35 A C 1.496 179.224 177.584 0.239 0.000 1.159 35 A CA 1.540 53.654 52.037 0.128 0.000 0.656 35 A CB -0.447 18.567 19.000 0.024 0.000 0.800 35 A HN 0.544 nan 8.150 nan 0.000 0.453 36 D N -0.549 120.009 120.400 0.262 0.000 2.370 36 D HA 0.037 4.678 4.640 0.001 0.000 0.230 36 D C 1.802 178.137 176.300 0.057 0.000 1.143 36 D CA 0.169 54.306 54.000 0.229 0.000 0.834 36 D CB -0.094 40.850 40.800 0.240 0.000 0.944 36 D HN 0.715 nan 8.370 nan 0.000 0.504 37 R N 0.034 120.540 120.500 0.010 0.000 2.200 37 R HA -0.092 4.249 4.340 0.001 0.000 0.234 37 R C 0.223 176.465 176.300 -0.097 0.000 1.127 37 R CA 1.073 57.064 56.100 -0.182 0.000 0.989 37 R CB -0.067 30.207 30.300 -0.043 0.000 0.869 37 R HN -0.131 nan 8.270 nan 0.000 0.459 38 D N 0.633 121.086 120.400 0.089 0.000 2.388 38 D HA 0.187 4.827 4.640 0.001 0.000 0.221 38 D C -0.037 176.426 176.300 0.272 0.000 1.133 38 D CA -0.098 54.028 54.000 0.210 0.000 0.831 38 D CB 0.173 41.177 40.800 0.340 0.000 0.962 38 D HN 0.164 nan 8.370 nan 0.000 0.502 39 L N 0.944 122.241 121.223 0.124 0.000 2.490 39 L HA 0.001 4.342 4.340 0.001 0.000 0.274 39 L C 1.935 178.823 176.870 0.031 0.000 1.201 39 L CA -0.161 54.717 54.840 0.065 0.000 0.869 39 L CB 0.854 42.939 42.059 0.044 0.000 1.123 39 L HN -0.161 nan 8.230 nan 0.000 0.484 40 K N 2.404 122.861 120.400 0.095 0.000 2.034 40 K HA -0.262 4.058 4.320 0.001 0.000 0.214 40 K C 2.184 178.790 176.600 0.010 0.000 1.051 40 K CA 2.131 58.459 56.287 0.068 0.000 0.931 40 K CB -0.166 32.405 32.500 0.118 0.000 0.715 40 K HN 0.777 nan 8.250 nan 0.000 0.446 41 H N -0.628 118.412 119.070 -0.049 0.000 2.491 41 H HA -0.026 4.530 4.556 0.001 0.000 0.290 41 H C 1.709 177.001 175.328 -0.059 0.000 1.050 41 H CA 1.370 57.379 56.048 -0.064 0.000 1.309 41 H CB -0.332 29.375 29.762 -0.092 0.000 1.392 41 H HN 0.111 nan 8.280 nan 0.000 0.554 42 V N 1.535 121.027 119.914 -0.704 0.000 2.453 42 V HA -0.178 3.942 4.120 0.001 0.000 0.247 42 V C 2.957 178.886 176.094 -0.275 0.000 1.048 42 V CA 1.183 63.137 62.300 -0.577 0.000 1.049 42 V CB -0.446 31.076 31.823 -0.501 0.000 0.672 42 V HN 0.284 nan 8.190 nan 0.000 0.457 43 L N -0.814 120.295 121.223 -0.190 0.000 2.217 43 L HA -0.070 4.270 4.340 0.001 0.000 0.211 43 L C 2.071 178.881 176.870 -0.100 0.000 1.107 43 L CA 1.180 55.944 54.840 -0.126 0.000 0.783 43 L CB -0.296 41.690 42.059 -0.121 0.000 0.919 43 L HN 0.303 nan 8.230 nan 0.000 0.442 44 L N -0.727 120.440 121.223 -0.093 0.000 2.513 44 L HA 0.226 4.567 4.340 0.001 0.000 0.222 44 L C 1.376 178.220 176.870 -0.044 0.000 1.096 44 L CA -0.473 54.335 54.840 -0.054 0.000 0.857 44 L CB -0.199 41.845 42.059 -0.026 0.000 1.026 44 L HN 0.094 nan 8.230 nan 0.000 0.469 45 A N 0.274 123.054 122.820 -0.066 0.000 2.466 45 A HA -0.012 4.308 4.320 0.001 0.000 0.238 45 A C 0.731 178.297 177.584 -0.029 0.000 1.074 45 A CA -0.141 51.872 52.037 -0.040 0.000 0.774 45 A CB 0.209 19.173 19.000 -0.060 0.000 1.015 45 A HN 0.159 nan 8.150 nan 0.000 0.498 46 D N 0.409 120.802 120.400 -0.013 0.000 2.149 46 D HA -0.001 4.639 4.640 0.001 0.000 0.201 46 D C 0.233 176.528 176.300 -0.009 0.000 0.972 46 D CA 1.421 55.416 54.000 -0.009 0.000 0.835 46 D CB 0.246 41.046 40.800 -0.001 0.000 0.966 46 D HN 0.758 nan 8.370 nan 0.000 0.476 47 E N -0.711 119.484 120.200 -0.007 0.000 2.356 47 E HA 0.395 4.745 4.350 0.001 0.000 0.275 47 E C -0.685 175.916 176.600 0.001 0.000 0.904 47 E CA -0.583 55.815 56.400 -0.004 0.000 0.757 47 E CB 2.447 32.147 29.700 -0.001 0.000 1.232 47 E HN -0.046 nan 8.360 nan 0.000 0.442 48 T N -1.957 112.605 114.554 0.014 0.000 2.924 48 T HA 0.749 5.099 4.350 0.001 0.000 0.291 48 T C -0.639 174.085 174.700 0.041 0.000 1.045 48 T CA -0.756 61.377 62.100 0.056 0.000 1.015 48 T CB 1.438 70.361 68.868 0.091 0.000 1.103 48 T HN 0.173 nan 8.240 nan 0.000 0.496 49 V N 0.918 120.837 119.914 0.009 0.000 2.653 49 V HA 0.362 4.483 4.120 0.001 0.000 0.298 49 V C -0.145 175.719 176.094 -0.384 0.000 1.097 49 V CA -1.237 60.993 62.300 -0.116 0.000 0.908 49 V CB 1.407 33.169 31.823 -0.102 0.000 1.024 49 V HN 1.322 nan 8.190 nan 0.000 0.435 50 C N 6.920 125.942 119.300 -0.463 0.000 2.464 50 C HA 0.472 4.933 4.460 0.001 0.000 0.370 50 C C 1.694 176.435 174.990 -0.416 0.000 1.267 50 C CA -0.290 58.285 59.018 -0.737 0.000 1.781 50 C CB -1.054 26.450 27.740 -0.394 0.000 2.431 50 C HN 0.883 nan 8.230 nan 0.000 0.556 51 I N 4.495 124.800 120.570 -0.442 0.000 3.861 51 I HA 0.518 4.688 4.170 0.001 0.000 0.329 51 I C 0.811 176.765 176.117 -0.271 0.000 1.321 51 I CA 0.479 61.590 61.300 -0.315 0.000 1.126 51 I CB -0.752 37.048 38.000 -0.333 0.000 1.018 51 I HN 0.837 nan 8.210 nan 0.000 0.407 52 G N 1.667 110.313 108.800 -0.258 0.000 2.361 52 G HA2 0.067 4.027 3.960 0.001 0.000 0.331 52 G HA3 0.067 4.027 3.960 0.001 0.000 0.331 52 G C -3.285 171.514 174.900 -0.167 0.000 1.324 52 G CA -0.779 44.209 45.100 -0.186 0.000 0.984 52 G HN -0.009 nan 8.290 nan 0.000 0.586 53 P HA 0.386 nan 4.420 nan 0.000 0.274 53 P C 1.313 178.532 177.300 -0.136 0.000 1.260 53 P CA 0.800 63.830 63.100 -0.116 0.000 0.793 53 P CB 0.578 32.225 31.700 -0.089 0.000 1.048 54 A N 0.571 123.250 122.820 -0.234 0.000 1.903 54 A HA -0.098 4.223 4.320 0.001 0.000 0.219 54 A C -1.057 176.433 177.584 -0.156 0.000 1.191 54 A CA 1.550 53.346 52.037 -0.402 0.000 0.638 54 A CB -2.671 15.507 19.000 -1.370 0.000 0.823 54 A HN 0.543 nan 8.150 nan 0.000 0.451 55 P HA 0.149 nan 4.420 nan 0.000 0.262 55 P C 0.662 178.057 177.300 0.159 0.000 1.199 55 P CA 0.409 63.545 63.100 0.061 0.000 0.763 55 P CB 0.944 32.670 31.700 0.044 0.000 0.790 56 S N 2.856 118.753 115.700 0.328 0.000 2.368 56 S HA -0.195 4.276 4.470 0.001 0.000 0.226 56 S C 1.882 176.615 174.600 0.223 0.000 1.044 56 S CA 2.061 60.523 58.200 0.437 0.000 1.062 56 S CB -1.208 62.360 63.200 0.614 0.000 0.931 56 S HN 0.550 nan 8.310 nan 0.000 0.440 57 V N 0.468 120.482 119.914 0.167 0.000 2.527 57 V HA -0.190 3.931 4.120 0.001 0.000 0.255 57 V C 1.599 177.716 176.094 0.039 0.000 1.081 57 V CA 1.872 64.229 62.300 0.096 0.000 1.092 57 V CB -0.737 31.131 31.823 0.075 0.000 0.673 57 V HN 0.411 nan 8.190 nan 0.000 0.470 58 K N 0.640 121.052 120.400 0.020 0.000 2.361 58 K HA 0.167 4.488 4.320 0.001 0.000 0.194 58 K C 1.888 178.431 176.600 -0.095 0.000 1.032 58 K CA 0.868 57.136 56.287 -0.031 0.000 1.048 58 K CB 0.377 32.858 32.500 -0.031 0.000 0.842 58 K HN 0.780 nan 8.250 nan 0.000 0.526 59 S N -0.575 115.049 115.700 -0.127 0.000 3.316 59 S HA 0.014 4.485 4.470 0.001 0.000 0.174 59 S C 1.601 175.957 174.600 -0.407 0.000 0.734 59 S CA -0.320 57.683 58.200 -0.327 0.000 0.861 59 S CB -0.724 62.183 63.200 -0.489 0.000 1.009 59 S HN 0.080 nan 8.310 nan 0.000 0.728 60 Y N 2.287 122.465 120.300 -0.203 0.000 2.465 60 Y HA 0.259 4.809 4.550 0.001 0.000 0.289 60 Y C 1.788 177.525 175.900 -0.272 0.000 1.150 60 Y CA 0.652 58.509 58.100 -0.405 0.000 1.293 60 Y CB -0.537 37.346 38.460 -0.961 0.000 0.977 60 Y HN 0.241 nan 8.280 nan 0.000 0.556 61 L N -0.281 120.940 121.223 -0.002 0.000 2.728 61 L HA 0.132 4.472 4.340 0.001 0.000 0.238 61 L C 0.544 177.374 176.870 -0.067 0.000 1.143 61 L CA -0.137 54.706 54.840 0.004 0.000 0.937 61 L CB -0.044 42.084 42.059 0.114 0.000 1.225 61 L HN 0.018 nan 8.230 nan 0.000 0.507 62 N N 1.526 120.161 118.700 -0.109 0.000 2.555 62 N HA 0.164 4.904 4.740 0.001 0.000 0.244 62 N C 1.005 176.456 175.510 -0.099 0.000 1.114 62 N CA 0.093 53.088 53.050 -0.092 0.000 0.963 62 N CB 0.697 39.119 38.487 -0.109 0.000 1.276 62 N HN 0.204 nan 8.380 nan 0.000 0.510 63 I N 4.123 124.659 120.570 -0.057 0.000 2.163 63 I HA -0.178 3.992 4.170 0.001 0.000 0.243 63 I C -0.728 175.436 176.117 0.078 0.000 1.085 63 I CA 1.027 62.342 61.300 0.025 0.000 1.347 63 I CB -0.979 37.100 38.000 0.132 0.000 1.044 63 I HN 0.390 nan 8.210 nan 0.000 0.408 64 P HA -0.162 nan 4.420 nan 0.000 0.216 64 P C 1.465 178.777 177.300 0.019 0.000 1.150 64 P CA 1.755 64.881 63.100 0.044 0.000 0.837 64 P CB -0.001 31.713 31.700 0.024 0.000 0.786 65 A N -0.564 122.244 122.820 -0.021 0.000 1.858 65 A HA -0.177 4.143 4.320 0.001 0.000 0.216 65 A C 2.195 179.748 177.584 -0.052 0.000 1.190 65 A CA 1.484 53.487 52.037 -0.055 0.000 0.617 65 A CB -1.607 17.329 19.000 -0.105 0.000 0.827 65 A HN 0.084 nan 8.150 nan 0.000 0.443 66 I N 0.074 120.614 120.570 -0.049 0.000 2.208 66 I HA -0.245 3.925 4.170 0.001 0.000 0.245 66 I C 2.209 178.338 176.117 0.021 0.000 1.097 66 I CA 0.940 62.226 61.300 -0.025 0.000 1.363 66 I CB -0.317 37.673 38.000 -0.016 0.000 1.051 66 I HN 0.261 nan 8.210 nan 0.000 0.413 67 I N 0.123 120.750 120.570 0.095 0.000 2.179 67 I HA -0.288 3.883 4.170 0.001 0.000 0.242 67 I C 2.779 178.931 176.117 0.059 0.000 1.088 67 I CA 1.490 62.849 61.300 0.100 0.000 1.357 67 I CB -1.341 36.767 38.000 0.180 0.000 1.051 67 I HN 0.213 nan 8.210 nan 0.000 0.409 68 S N 0.536 116.265 115.700 0.048 0.000 2.370 68 S HA -0.166 4.305 4.470 0.001 0.000 0.226 68 S C 2.238 176.839 174.600 0.002 0.000 1.033 68 S CA 1.524 59.746 58.200 0.036 0.000 1.011 68 S CB -0.174 63.034 63.200 0.013 0.000 0.852 68 S HN 0.499 nan 8.310 nan 0.000 0.457 69 A N 1.241 124.038 122.820 -0.038 0.000 1.908 69 A HA 0.081 4.402 4.320 0.001 0.000 0.218 69 A C 2.429 179.962 177.584 -0.085 0.000 1.181 69 A CA 2.007 54.005 52.037 -0.063 0.000 0.627 69 A CB -1.331 17.619 19.000 -0.085 0.000 0.818 69 A HN 0.733 nan 8.150 nan 0.000 0.445 70 A N -0.416 122.301 122.820 -0.171 0.000 1.969 70 A HA -0.131 4.189 4.320 0.001 0.000 0.218 70 A C 1.906 179.413 177.584 -0.128 0.000 1.169 70 A CA 1.576 53.401 52.037 -0.353 0.000 0.635 70 A CB -0.450 17.977 19.000 -0.954 0.000 0.810 70 A HN 0.655 nan 8.150 nan 0.000 0.445 71 E N -0.060 120.193 120.200 0.088 0.000 2.072 71 E HA -0.144 4.206 4.350 0.001 0.000 0.191 71 E C 1.992 178.670 176.600 0.130 0.000 0.985 71 E CA 1.388 57.952 56.400 0.273 0.000 0.801 71 E CB -0.393 29.451 29.700 0.241 0.000 0.750 71 E HN 0.899 nan 8.360 nan 0.000 0.452 72 I N -0.354 120.253 120.570 0.061 0.000 2.546 72 I HA -0.107 4.064 4.170 0.001 0.000 0.255 72 I C 2.246 178.380 176.117 0.029 0.000 1.163 72 I CA 1.550 62.871 61.300 0.036 0.000 1.457 72 I CB -0.452 37.556 38.000 0.013 0.000 1.092 72 I HN -0.027 nan 8.210 nan 0.000 0.434 73 T N -2.035 112.531 114.554 0.020 0.000 3.081 73 T HA 0.366 4.716 4.350 0.001 0.000 0.250 73 T C 1.546 176.268 174.700 0.037 0.000 1.100 73 T CA 0.337 62.446 62.100 0.015 0.000 1.038 73 T CB -0.034 68.831 68.868 -0.006 0.000 0.962 73 T HN 0.755 nan 8.240 nan 0.000 0.516 74 G N 1.527 110.371 108.800 0.074 0.000 2.225 74 G HA2 0.019 3.980 3.960 0.001 0.000 0.264 74 G HA3 0.019 3.980 3.960 0.001 0.000 0.264 74 G C 0.249 175.219 174.900 0.118 0.000 1.060 74 G CA -0.088 45.080 45.100 0.113 0.000 0.833 74 G HN 1.120 nan 8.290 nan 0.000 0.498 75 A N -1.041 121.828 122.820 0.083 0.000 2.346 75 A HA 0.787 5.107 4.320 0.001 0.000 0.252 75 A C 1.687 179.377 177.584 0.177 0.000 1.089 75 A CA 0.693 52.754 52.037 0.038 0.000 0.797 75 A CB 0.985 19.923 19.000 -0.102 0.000 1.047 75 A HN 1.667 nan 8.150 nan 0.000 0.494 76 V N -3.085 116.918 119.914 0.147 0.000 3.612 76 V HA 0.642 4.762 4.120 0.001 0.000 0.268 76 V C 0.558 176.784 176.094 0.220 0.000 1.365 76 V CA 0.960 63.401 62.300 0.236 0.000 1.044 76 V CB -0.732 31.158 31.823 0.112 0.000 0.820 76 V HN 1.658 nan 8.190 nan 0.000 0.444 77 A N 0.079 122.955 122.820 0.094 0.000 2.566 77 A HA 0.889 5.210 4.320 0.001 0.000 0.292 77 A C -1.245 176.327 177.584 -0.021 0.000 1.112 77 A CA -0.706 51.363 52.037 0.053 0.000 0.707 77 A CB 1.788 20.811 19.000 0.037 0.000 1.302 77 A HN 0.323 nan 8.150 nan 0.000 0.409 78 I N 1.570 122.123 120.570 -0.028 0.000 2.478 78 I HA 0.280 4.451 4.170 0.001 0.000 0.287 78 I C -1.062 175.030 176.117 -0.041 0.000 1.042 78 I CA -0.473 60.821 61.300 -0.012 0.000 1.067 78 I CB 1.934 39.954 38.000 0.034 0.000 1.233 78 I HN 0.721 nan 8.210 nan 0.000 0.431 79 H N 8.712 127.732 119.070 -0.083 0.000 2.597 79 H HA 0.336 4.892 4.556 0.001 0.000 0.303 79 H C -2.040 173.242 175.328 -0.077 0.000 1.057 79 H CA -2.211 53.756 56.048 -0.135 0.000 1.261 79 H CB 2.020 31.706 29.762 -0.125 0.000 1.397 79 H HN 0.335 nan 8.280 nan 0.000 0.461 80 P HA 0.062 nan 4.420 nan 0.000 0.241 80 P C 0.864 178.258 177.300 0.157 0.000 1.191 80 P CA 1.029 64.255 63.100 0.212 0.000 0.771 80 P CB 0.763 32.644 31.700 0.301 0.000 0.929 81 G N 1.099 110.043 108.800 0.239 0.000 2.574 81 G HA2 -0.256 3.704 3.960 0.001 0.000 0.286 81 G HA3 -0.256 3.704 3.960 0.001 0.000 0.286 81 G C -0.590 174.357 174.900 0.078 0.000 1.212 81 G CA 0.561 45.645 45.100 -0.027 0.000 0.979 81 G HN 0.469 nan 8.290 nan 0.000 0.557 82 Y N -1.149 119.194 120.300 0.071 0.000 2.570 82 Y HA 0.708 5.258 4.550 0.001 0.000 0.345 82 Y C 0.866 176.809 175.900 0.071 0.000 1.014 82 Y CA -0.561 57.578 58.100 0.065 0.000 1.063 82 Y CB 1.038 39.515 38.460 0.029 0.000 1.272 82 Y HN 2.604 nan 8.280 nan 0.000 0.477 83 G N 1.606 110.593 108.800 0.310 0.000 2.645 83 G HA2 -0.216 3.744 3.960 0.001 0.000 0.239 83 G HA3 -0.216 3.744 3.960 0.001 0.000 0.239 83 G C 0.074 175.063 174.900 0.148 0.000 1.331 83 G CA 0.290 45.461 45.100 0.118 0.000 0.890 83 G HN 1.279 nan 8.290 nan 0.000 0.572 84 F N -1.678 118.309 119.950 0.063 0.000 3.079 84 F HA -0.339 4.189 4.527 0.000 0.000 0.251 84 F C 2.399 178.218 175.800 0.031 0.000 1.475 84 F CA 2.492 60.510 58.000 0.030 0.000 1.807 84 F CB -1.171 37.821 39.000 -0.013 0.000 0.534 84 F HN 0.451 nan 8.300 nan 0.000 0.345 85 L N 0.385 121.755 121.223 0.244 0.000 2.607 85 L HA 0.092 4.432 4.340 0.001 0.000 0.228 85 L C 2.011 179.074 176.870 0.322 0.000 1.123 85 L CA 0.603 55.524 54.840 0.135 0.000 0.890 85 L CB -0.438 41.453 42.059 -0.281 0.000 1.103 85 L HN 0.547 nan 8.230 nan 0.000 0.468 86 S N 0.372 116.258 115.700 0.310 0.000 2.374 86 S HA -0.221 4.250 4.470 0.001 0.000 0.227 86 S C 1.242 176.059 174.600 0.360 0.000 1.037 86 S CA 1.209 59.619 58.200 0.349 0.000 1.024 86 S CB -0.252 63.099 63.200 0.251 0.000 0.861 86 S HN 0.573 nan 8.310 nan 0.000 0.456 87 E N 1.470 121.819 120.200 0.249 0.000 2.651 87 E HA 0.263 4.614 4.350 0.001 0.000 0.213 87 E C -0.583 176.106 176.600 0.149 0.000 1.028 87 E CA -0.327 56.188 56.400 0.192 0.000 1.183 87 E CB 0.117 29.899 29.700 0.138 0.000 1.188 87 E HN 0.361 nan 8.360 nan 0.000 0.444 88 N N 1.160 119.968 118.700 0.180 0.000 2.527 88 N HA 0.153 4.893 4.740 0.001 0.000 0.236 88 N C 0.594 176.152 175.510 0.081 0.000 0.999 88 N CA -0.036 53.096 53.050 0.136 0.000 0.935 88 N CB 1.288 39.877 38.487 0.170 0.000 1.132 88 N HN 0.135 nan 8.380 nan 0.000 0.511 89 A N 4.293 127.127 122.820 0.022 0.000 1.978 89 A HA -0.197 4.124 4.320 0.001 0.000 0.220 89 A C 1.847 179.389 177.584 -0.070 0.000 1.170 89 A CA 1.216 53.221 52.037 -0.054 0.000 0.636 89 A CB -0.232 18.749 19.000 -0.031 0.000 0.810 89 A HN 0.700 nan 8.150 nan 0.000 0.448 90 N N -0.994 117.707 118.700 0.002 0.000 2.120 90 N HA -0.138 4.602 4.740 0.001 0.000 0.188 90 N C 1.504 177.038 175.510 0.040 0.000 1.024 90 N CA 1.501 54.560 53.050 0.015 0.000 0.852 90 N CB -0.605 37.911 38.487 0.050 0.000 1.003 90 N HN 0.663 nan 8.380 nan 0.000 0.424 91 F N 1.674 121.573 119.950 -0.085 0.000 2.075 91 F HA -0.175 4.353 4.527 0.001 0.000 0.297 91 F C 2.287 177.956 175.800 -0.218 0.000 1.113 91 F CA 1.339 59.291 58.000 -0.080 0.000 1.218 91 F CB -0.108 38.890 39.000 -0.005 0.000 0.984 91 F HN 0.033 nan 8.300 nan 0.000 0.472 92 A N 0.441 122.886 122.820 -0.625 0.000 1.873 92 A HA -0.298 4.022 4.320 0.001 0.000 0.218 92 A C 1.986 179.182 177.584 -0.647 0.000 1.193 92 A CA 2.250 53.547 52.037 -1.234 0.000 0.629 92 A CB -1.115 17.096 19.000 -1.315 0.000 0.826 92 A HN 0.605 nan 8.150 nan 0.000 0.447 93 E N -1.303 118.677 120.200 -0.367 0.000 2.118 93 E HA -0.265 4.085 4.350 0.001 0.000 0.195 93 E C 2.269 178.769 176.600 -0.167 0.000 0.992 93 E CA 1.431 57.703 56.400 -0.213 0.000 0.804 93 E CB -0.130 29.493 29.700 -0.128 0.000 0.741 93 E HN 0.694 nan 8.360 nan 0.000 0.458 94 Q N 0.736 120.443 119.800 -0.156 0.000 2.079 94 Q HA -0.120 4.220 4.340 0.001 0.000 0.200 94 Q C 2.114 178.060 176.000 -0.090 0.000 0.974 94 Q CA 1.218 56.974 55.803 -0.077 0.000 0.840 94 Q CB -0.210 28.538 28.738 0.016 0.000 0.898 94 Q HN 0.116 nan 8.270 nan 0.000 0.430 95 V N 0.931 120.697 119.914 -0.247 0.000 2.282 95 V HA -0.301 3.820 4.120 0.001 0.000 0.249 95 V C 2.046 178.154 176.094 0.022 0.000 1.057 95 V CA 2.444 64.663 62.300 -0.134 0.000 1.032 95 V CB -0.556 31.076 31.823 -0.319 0.000 0.645 95 V HN 0.460 nan 8.190 nan 0.000 0.447 96 E N -0.617 119.543 120.200 -0.066 0.000 2.158 96 E HA -0.157 4.193 4.350 0.001 0.000 0.191 96 E C 2.426 178.988 176.600 -0.063 0.000 0.982 96 E CA 0.579 56.955 56.400 -0.042 0.000 0.823 96 E CB -0.161 29.502 29.700 -0.061 0.000 0.766 96 E HN 0.426 nan 8.360 nan 0.000 0.468 97 R N 0.575 121.035 120.500 -0.067 0.000 2.120 97 R HA -0.049 4.292 4.340 0.001 0.000 0.234 97 R C 1.562 177.821 176.300 -0.069 0.000 1.123 97 R CA 1.187 57.250 56.100 -0.061 0.000 0.975 97 R CB 0.045 30.316 30.300 -0.048 0.000 0.866 97 R HN -0.034 nan 8.270 nan 0.000 0.446 98 S N -0.784 114.884 115.700 -0.052 0.000 2.631 98 S HA 0.140 4.610 4.470 0.001 0.000 0.217 98 S C 0.701 175.077 174.600 -0.373 0.000 0.958 98 S CA 0.621 58.763 58.200 -0.097 0.000 0.920 98 S CB 0.898 64.158 63.200 0.100 0.000 0.776 98 S HN 0.695 nan 8.310 nan 0.000 0.517 99 G N 0.894 109.509 108.800 -0.308 0.000 2.137 99 G HA2 -0.230 3.730 3.960 0.001 0.000 0.237 99 G HA3 -0.230 3.730 3.960 0.001 0.000 0.237 99 G C -0.170 174.423 174.900 -0.511 0.000 1.002 99 G CA -0.268 44.589 45.100 -0.406 0.000 0.702 99 G HN 0.397 nan 8.290 nan 0.000 0.515 100 F N -0.636 119.297 119.950 -0.029 0.000 2.594 100 F HA 0.738 5.265 4.527 0.001 0.000 0.335 100 F C 0.840 176.629 175.800 -0.018 0.000 1.058 100 F CA -1.636 56.352 58.000 -0.020 0.000 0.981 100 F CB 1.133 40.125 39.000 -0.014 0.000 1.289 100 F HN -0.056 nan 8.300 nan 0.000 0.490 101 I N 2.023 122.723 120.570 0.217 0.000 2.325 101 I HA 0.141 4.311 4.170 0.001 0.000 0.291 101 I C -0.792 175.385 176.117 0.100 0.000 1.019 101 I CA -0.419 60.947 61.300 0.110 0.000 1.302 101 I CB 0.769 38.802 38.000 0.054 0.000 1.401 101 I HN 0.408 nan 8.210 nan 0.000 0.485 102 F N 7.940 127.848 119.950 -0.070 0.000 2.421 102 F HA 0.400 4.927 4.527 0.001 0.000 0.358 102 F C 0.352 176.077 175.800 -0.125 0.000 1.115 102 F CA -0.473 57.451 58.000 -0.127 0.000 1.160 102 F CB 0.478 39.376 39.000 -0.171 0.000 1.123 102 F HN 0.299 nan 8.300 nan 0.000 0.508 103 I N 7.464 127.628 120.570 -0.678 0.000 2.270 103 I HA 0.351 4.522 4.170 0.001 0.000 0.300 103 I C 0.639 176.215 176.117 -0.902 0.000 1.186 103 I CA 0.331 61.245 61.300 -0.643 0.000 1.431 103 I CB -0.947 36.685 38.000 -0.614 0.000 1.485 103 I HN 0.805 nan 8.210 nan 0.000 0.650 104 G N 6.717 115.143 108.800 -0.624 0.000 2.321 104 G HA2 0.282 4.242 3.960 0.001 0.000 0.296 104 G HA3 0.282 4.242 3.960 0.001 0.000 0.296 104 G C -3.256 171.608 174.900 -0.060 0.000 1.287 104 G CA -0.668 44.204 45.100 -0.380 0.000 0.846 104 G HN 0.136 nan 8.290 nan 0.000 0.508 105 P HA 0.279 nan 4.420 nan 0.000 0.274 105 P C -0.498 176.814 177.300 0.020 0.000 1.256 105 P CA -0.145 62.842 63.100 -0.187 0.000 0.795 105 P CB 0.887 32.334 31.700 -0.420 0.000 1.038 106 K N 0.056 120.419 120.400 -0.062 0.000 2.355 106 K HA 0.199 4.519 4.320 0.001 0.000 0.270 106 K C 1.597 178.158 176.600 -0.066 0.000 1.003 106 K CA -0.045 56.214 56.287 -0.046 0.000 0.957 106 K CB 0.090 32.561 32.500 -0.049 0.000 0.939 106 K HN 0.376 nan 8.250 nan 0.000 0.482 107 A N 2.963 125.709 122.820 -0.124 0.000 1.940 107 A HA -0.246 4.074 4.320 0.001 0.000 0.219 107 A C 1.961 179.508 177.584 -0.063 0.000 1.176 107 A CA 1.986 53.940 52.037 -0.138 0.000 0.631 107 A CB -0.625 18.269 19.000 -0.177 0.000 0.814 107 A HN 0.956 nan 8.150 nan 0.000 0.446 108 E N -0.866 119.307 120.200 -0.045 0.000 2.110 108 E HA -0.162 4.188 4.350 0.001 0.000 0.193 108 E C 1.665 178.269 176.600 0.005 0.000 0.988 108 E CA 1.637 58.026 56.400 -0.018 0.000 0.804 108 E CB -0.849 28.842 29.700 -0.015 0.000 0.745 108 E HN 0.438 nan 8.360 nan 0.000 0.458 109 T N 1.461 116.021 114.554 0.011 0.000 2.904 109 T HA -0.001 4.349 4.350 0.001 0.000 0.267 109 T C 1.945 176.690 174.700 0.075 0.000 1.059 109 T CA 1.010 63.142 62.100 0.054 0.000 1.137 109 T CB -0.153 68.746 68.868 0.052 0.000 0.879 109 T HN 0.164 nan 8.240 nan 0.000 0.467 110 I N 0.873 121.472 120.570 0.048 0.000 2.226 110 I HA -0.169 4.001 4.170 0.001 0.000 0.245 110 I C 2.777 178.925 176.117 0.052 0.000 1.100 110 I CA 1.303 62.642 61.300 0.065 0.000 1.374 110 I CB -0.306 37.719 38.000 0.042 0.000 1.057 110 I HN 0.144 nan 8.210 nan 0.000 0.413 111 R N 0.316 120.833 120.500 0.029 0.000 2.073 111 R HA -0.185 4.156 4.340 0.001 0.000 0.234 111 R C 2.306 178.628 176.300 0.036 0.000 1.134 111 R CA 1.278 57.394 56.100 0.026 0.000 0.952 111 R CB -0.602 29.704 30.300 0.011 0.000 0.850 111 R HN 0.214 nan 8.270 nan 0.000 0.433 112 L N 0.484 121.731 121.223 0.039 0.000 2.012 112 L HA -0.153 4.187 4.340 0.001 0.000 0.210 112 L C 1.815 178.718 176.870 0.056 0.000 1.073 112 L CA 1.883 56.748 54.840 0.043 0.000 0.748 112 L CB -0.152 41.934 42.059 0.046 0.000 0.891 112 L HN 0.153 nan 8.230 nan 0.000 0.431 113 M N -1.098 118.545 119.600 0.071 0.000 2.502 113 M HA 0.212 4.693 4.480 0.001 0.000 0.243 113 M C 1.897 178.244 176.300 0.078 0.000 1.130 113 M CA 0.792 56.141 55.300 0.082 0.000 1.055 113 M CB -1.383 31.263 32.600 0.076 0.000 1.457 113 M HN 0.375 nan 8.290 nan 0.000 0.488 114 G N -0.246 108.592 108.800 0.064 0.000 2.813 114 G HA2 -0.067 3.894 3.960 0.001 0.000 0.209 114 G HA3 -0.067 3.894 3.960 0.001 0.000 0.209 114 G C 0.142 175.070 174.900 0.048 0.000 1.150 114 G CA 0.039 45.171 45.100 0.053 0.000 0.785 114 G HN 0.393 nan 8.290 nan 0.000 0.535 115 D N -0.010 120.421 120.400 0.052 0.000 2.471 115 D HA 0.230 4.871 4.640 0.001 0.000 0.245 115 D C 0.936 177.274 176.300 0.063 0.000 1.116 115 D CA -0.471 53.557 54.000 0.046 0.000 0.853 115 D CB 1.248 42.068 40.800 0.035 0.000 1.123 115 D HN -0.032 nan 8.370 nan 0.000 0.540 116 K N 1.458 121.898 120.400 0.067 0.000 2.052 116 K HA -0.165 4.156 4.320 0.001 0.000 0.215 116 K C 1.951 178.603 176.600 0.086 0.000 1.053 116 K CA 1.559 57.904 56.287 0.097 0.000 0.934 116 K CB 0.030 32.573 32.500 0.072 0.000 0.717 116 K HN 0.293 nan 8.250 nan 0.000 0.450 117 V N 1.548 121.489 119.914 0.045 0.000 2.332 117 V HA -0.282 3.838 4.120 0.001 0.000 0.248 117 V C 2.467 178.576 176.094 0.024 0.000 1.055 117 V CA 2.305 64.619 62.300 0.023 0.000 1.038 117 V CB -0.735 31.090 31.823 0.002 0.000 0.651 117 V HN 0.458 nan 8.190 nan 0.000 0.450 118 S N 0.670 116.387 115.700 0.028 0.000 2.425 118 S HA 0.058 4.529 4.470 0.001 0.000 0.225 118 S C 2.078 176.691 174.600 0.022 0.000 1.024 118 S CA 0.902 59.114 58.200 0.021 0.000 0.951 118 S CB -0.281 62.932 63.200 0.022 0.000 0.796 118 S HN 0.553 nan 8.310 nan 0.000 0.498 119 A N 2.336 125.186 122.820 0.049 0.000 1.873 119 A HA 0.128 4.448 4.320 0.001 0.000 0.215 119 A C 2.186 179.743 177.584 -0.045 0.000 1.186 119 A CA 1.345 53.411 52.037 0.049 0.000 0.616 119 A CB -0.871 18.237 19.000 0.180 0.000 0.823 119 A HN 0.532 nan 8.150 nan 0.000 0.442 120 I N -0.157 120.431 120.570 0.029 0.000 2.208 120 I HA -0.303 3.867 4.170 0.001 0.000 0.245 120 I C 2.968 179.051 176.117 -0.058 0.000 1.097 120 I CA 1.038 62.331 61.300 -0.013 0.000 1.363 120 I CB -0.343 37.708 38.000 0.085 0.000 1.051 120 I HN 0.373 nan 8.210 nan 0.000 0.413 121 A N 0.781 123.585 122.820 -0.027 0.000 1.877 121 A HA -0.193 4.128 4.320 0.001 0.000 0.216 121 A C 2.557 180.114 177.584 -0.045 0.000 1.186 121 A CA 1.975 53.996 52.037 -0.026 0.000 0.620 121 A CB -0.875 18.118 19.000 -0.012 0.000 0.822 121 A HN 0.435 nan 8.150 nan 0.000 0.443 122 A N -1.002 121.786 122.820 -0.054 0.000 1.902 122 A HA -0.117 4.204 4.320 0.001 0.000 0.217 122 A C 2.153 179.678 177.584 -0.098 0.000 1.181 122 A CA 2.004 54.008 52.037 -0.055 0.000 0.623 122 A CB -0.473 18.507 19.000 -0.033 0.000 0.818 122 A HN 0.423 nan 8.150 nan 0.000 0.443 123 M N -0.206 119.278 119.600 -0.192 0.000 2.229 123 M HA -0.087 4.393 4.480 0.001 0.000 0.264 123 M C 1.870 178.080 176.300 -0.150 0.000 1.063 123 M CA 1.453 56.594 55.300 -0.264 0.000 1.114 123 M CB -1.105 31.132 32.600 -0.604 0.000 1.387 123 M HN 0.414 nan 8.290 nan 0.000 0.420 124 K N -0.074 120.266 120.400 -0.099 0.000 2.062 124 K HA -0.114 4.207 4.320 0.001 0.000 0.205 124 K C 2.077 178.653 176.600 -0.041 0.000 1.051 124 K CA 0.847 57.106 56.287 -0.046 0.000 0.941 124 K CB -0.107 32.381 32.500 -0.019 0.000 0.719 124 K HN 0.236 nan 8.250 nan 0.000 0.440 125 K N 0.704 121.079 120.400 -0.042 0.000 2.288 125 K HA -0.039 4.282 4.320 0.001 0.000 0.201 125 K C 1.744 178.319 176.600 -0.042 0.000 1.048 125 K CA 0.856 57.123 56.287 -0.033 0.000 0.956 125 K CB 0.115 32.600 32.500 -0.025 0.000 0.746 125 K HN 0.091 nan 8.250 nan 0.000 0.461 126 A N -0.013 122.771 122.820 -0.060 0.000 2.081 126 A HA 0.175 4.495 4.320 0.001 0.000 0.214 126 A C 1.395 178.924 177.584 -0.092 0.000 1.158 126 A CA 1.072 53.066 52.037 -0.072 0.000 0.724 126 A CB -0.058 18.892 19.000 -0.084 0.000 0.826 126 A HN 0.470 nan 8.150 nan 0.000 0.463 127 G N -1.895 106.854 108.800 -0.085 0.000 2.168 127 G HA2 -0.141 3.820 3.960 0.001 0.000 0.197 127 G HA3 -0.141 3.820 3.960 0.001 0.000 0.197 127 G C 0.056 174.895 174.900 -0.102 0.000 0.997 127 G CA -0.036 45.011 45.100 -0.088 0.000 0.658 127 G HN 0.708 nan 8.290 nan 0.000 0.513 128 V N 3.575 123.427 119.914 -0.102 0.000 2.455 128 V HA 0.380 4.501 4.120 0.001 0.000 0.273 128 V C -1.100 175.027 176.094 0.055 0.000 1.045 128 V CA -1.118 61.147 62.300 -0.058 0.000 0.976 128 V CB 1.183 32.939 31.823 -0.113 0.000 0.993 128 V HN 0.284 nan 8.190 nan 0.000 0.475 129 P HA 0.146 nan 4.420 nan 0.000 0.267 129 P C -0.475 177.023 177.300 0.329 0.000 1.209 129 P CA 0.032 63.247 63.100 0.192 0.000 0.763 129 P CB 0.670 32.464 31.700 0.156 0.000 0.816 130 C N 2.466 121.949 119.300 0.305 0.000 2.803 130 C HA 0.411 4.871 4.460 0.001 0.000 0.389 130 C C 0.527 175.787 174.990 0.449 0.000 1.433 130 C CA -0.675 58.578 59.018 0.392 0.000 1.714 130 C CB 1.579 29.480 27.740 0.268 0.000 2.106 130 C HN 0.341 nan 8.230 nan 0.000 0.480 131 V N 4.051 124.180 119.914 0.358 0.000 2.439 131 V HA 0.165 4.286 4.120 0.001 0.000 0.271 131 V C -1.660 174.531 176.094 0.161 0.000 1.040 131 V CA -0.460 61.972 62.300 0.220 0.000 1.002 131 V CB -0.050 31.842 31.823 0.116 0.000 1.000 131 V HN 0.733 nan 8.190 nan 0.000 0.477 132 P HA 0.375 nan 4.420 nan 0.000 0.268 132 P C 0.043 177.386 177.300 0.072 0.000 1.205 132 P CA 0.350 63.515 63.100 0.107 0.000 0.771 132 P CB 1.323 33.088 31.700 0.108 0.000 0.858 133 G N 0.140 108.984 108.800 0.074 0.000 2.663 133 G HA2 0.349 4.309 3.960 0.001 0.000 0.299 133 G HA3 0.349 4.309 3.960 0.001 0.000 0.299 133 G C 0.635 175.576 174.900 0.069 0.000 1.372 133 G CA -0.050 45.101 45.100 0.085 0.000 0.781 133 G HN 0.371 nan 8.290 nan 0.000 0.491 134 S N -0.717 115.037 115.700 0.091 0.000 2.447 134 S HA 0.025 4.496 4.470 0.001 0.000 0.233 134 S C 0.481 175.108 174.600 0.045 0.000 1.006 134 S CA 1.322 59.562 58.200 0.068 0.000 0.957 134 S CB -0.200 63.057 63.200 0.095 0.000 0.773 134 S HN 0.695 nan 8.310 nan 0.000 0.507 135 D N 1.449 121.868 120.400 0.031 0.000 2.746 135 D HA 0.071 4.711 4.640 0.001 0.000 0.241 135 D C 0.350 176.645 176.300 -0.009 0.000 1.140 135 D CA 1.633 55.632 54.000 -0.002 0.000 0.707 135 D CB -1.674 39.132 40.800 0.011 0.000 1.034 135 D HN 1.073 nan 8.370 nan 0.000 0.423 136 G N -0.803 107.983 108.800 -0.024 0.000 2.335 136 G HA2 0.225 4.186 3.960 0.001 0.000 0.592 136 G HA3 0.225 4.186 3.960 0.001 0.000 0.592 136 G C -3.026 171.899 174.900 0.043 0.000 1.442 136 G CA -0.690 44.404 45.100 -0.010 0.000 0.976 136 G HN 0.105 nan 8.290 nan 0.000 0.652 137 P HA 0.342 nan 4.420 nan 0.000 0.269 137 P C 0.161 177.509 177.300 0.079 0.000 1.217 137 P CA -0.108 63.052 63.100 0.101 0.000 0.783 137 P CB 0.753 32.497 31.700 0.074 0.000 0.898 138 L N 0.740 122.011 121.223 0.080 0.000 2.375 138 L HA 0.521 4.861 4.340 0.001 0.000 0.271 138 L C 1.441 178.332 176.870 0.036 0.000 1.107 138 L CA -0.304 54.567 54.840 0.052 0.000 0.806 138 L CB 0.786 42.870 42.059 0.042 0.000 1.146 138 L HN 0.493 nan 8.230 nan 0.000 0.447 139 G N -0.128 108.689 108.800 0.028 0.000 2.642 139 G HA2 0.201 4.161 3.960 0.001 0.000 0.291 139 G HA3 0.201 4.161 3.960 0.001 0.000 0.291 139 G C 0.002 174.914 174.900 0.019 0.000 1.345 139 G CA -0.339 44.774 45.100 0.022 0.000 1.043 139 G HN 0.656 nan 8.290 nan 0.000 0.528 140 D N -0.671 119.739 120.400 0.016 0.000 2.348 140 D HA -0.008 4.632 4.640 0.001 0.000 0.211 140 D C 0.120 176.428 176.300 0.014 0.000 0.998 140 D CA 0.228 54.236 54.000 0.014 0.000 0.873 140 D CB 0.375 41.182 40.800 0.011 0.000 0.925 140 D HN 0.239 nan 8.370 nan 0.000 0.524 141 D N 1.390 121.799 120.400 0.015 0.000 2.346 141 D HA -0.046 4.594 4.640 0.001 0.000 0.267 141 D C 1.337 177.648 176.300 0.018 0.000 1.320 141 D CA -0.111 53.898 54.000 0.015 0.000 0.951 141 D CB 0.596 41.405 40.800 0.015 0.000 1.079 141 D HN -0.202 nan 8.370 nan 0.000 0.509 142 M N 2.277 121.888 119.600 0.018 0.000 2.358 142 M HA -0.115 4.365 4.480 0.001 0.000 0.264 142 M C 1.081 177.397 176.300 0.026 0.000 1.064 142 M CA 0.873 56.187 55.300 0.023 0.000 1.093 142 M CB -0.346 32.267 32.600 0.021 0.000 1.401 142 M HN 0.371 nan 8.290 nan 0.000 0.440 143 D N 0.174 120.587 120.400 0.022 0.000 2.123 143 D HA -0.102 4.538 4.640 0.001 0.000 0.200 143 D C 1.994 178.307 176.300 0.023 0.000 0.976 143 D CA 1.029 55.043 54.000 0.023 0.000 0.831 143 D CB 0.001 40.812 40.800 0.019 0.000 0.974 143 D HN 0.376 nan 8.370 nan 0.000 0.469 144 K N 0.563 120.975 120.400 0.020 0.000 2.025 144 K HA -0.045 4.275 4.320 0.001 0.000 0.207 144 K C 1.896 178.508 176.600 0.019 0.000 1.049 144 K CA 0.808 57.107 56.287 0.019 0.000 0.933 144 K CB -0.140 32.371 32.500 0.017 0.000 0.714 144 K HN 0.151 nan 8.250 nan 0.000 0.438 145 N N 0.558 119.270 118.700 0.021 0.000 2.166 145 N HA -0.132 4.608 4.740 0.001 0.000 0.186 145 N C 1.748 177.272 175.510 0.024 0.000 1.019 145 N CA 0.721 53.783 53.050 0.020 0.000 0.856 145 N CB 0.011 38.513 38.487 0.024 0.000 0.993 145 N HN 0.140 nan 8.380 nan 0.000 0.426 146 R N 0.559 121.083 120.500 0.040 0.000 2.148 146 R HA 0.044 4.385 4.340 0.001 0.000 0.223 146 R C 2.143 178.467 176.300 0.040 0.000 1.088 146 R CA 0.923 57.061 56.100 0.064 0.000 0.985 146 R CB -0.109 30.234 30.300 0.072 0.000 0.880 146 R HN 0.212 nan 8.270 nan 0.000 0.451 147 A N 1.196 124.030 122.820 0.024 0.000 1.929 147 A HA -0.048 4.272 4.320 0.001 0.000 0.216 147 A C 2.089 179.670 177.584 -0.005 0.000 1.176 147 A CA 0.813 52.859 52.037 0.015 0.000 0.628 147 A CB -0.244 18.766 19.000 0.017 0.000 0.816 147 A HN 0.117 nan 8.150 nan 0.000 0.444 148 I N -0.229 120.335 120.570 -0.011 0.000 2.163 148 I HA -0.247 3.923 4.170 0.001 0.000 0.240 148 I C 3.015 179.083 176.117 -0.081 0.000 1.081 148 I CA 1.031 62.316 61.300 -0.026 0.000 1.353 148 I CB -0.418 37.575 38.000 -0.012 0.000 1.054 148 I HN 0.343 nan 8.210 nan 0.000 0.407 149 A N 0.944 123.687 122.820 -0.128 0.000 1.865 149 A HA -0.302 4.018 4.320 0.001 0.000 0.217 149 A C 2.329 179.673 177.584 -0.400 0.000 1.191 149 A CA 2.330 54.162 52.037 -0.341 0.000 0.623 149 A CB -0.621 18.157 19.000 -0.369 0.000 0.826 149 A HN 0.330 nan 8.150 nan 0.000 0.444 150 K N -0.661 119.638 120.400 -0.167 0.000 2.147 150 K HA -0.129 4.191 4.320 0.001 0.000 0.205 150 K C 2.300 178.875 176.600 -0.042 0.000 1.049 150 K CA 1.309 57.569 56.287 -0.044 0.000 0.936 150 K CB -0.147 32.389 32.500 0.059 0.000 0.722 150 K HN 0.354 nan 8.250 nan 0.000 0.446 151 R N 0.862 121.336 120.500 -0.043 0.000 2.066 151 R HA -0.063 4.278 4.340 0.001 0.000 0.232 151 R C 2.074 178.360 176.300 -0.023 0.000 1.131 151 R CA 1.641 57.731 56.100 -0.017 0.000 0.955 151 R CB -0.388 29.909 30.300 -0.006 0.000 0.851 151 R HN 0.311 nan 8.270 nan 0.000 0.432 152 I N 0.016 120.550 120.570 -0.061 0.000 2.252 152 I HA -0.069 4.101 4.170 0.001 0.000 0.245 152 I C 0.864 176.943 176.117 -0.064 0.000 1.102 152 I CA 1.089 62.356 61.300 -0.055 0.000 1.385 152 I CB -0.394 37.553 38.000 -0.088 0.000 1.064 152 I HN 0.442 nan 8.210 nan 0.000 0.414 153 G N 0.368 109.091 108.800 -0.129 0.000 3.322 153 G HA2 -0.215 3.746 3.960 0.001 0.000 0.686 153 G HA3 -0.215 3.746 3.960 0.001 0.000 0.686 153 G C -0.651 174.200 174.900 -0.082 0.000 1.015 153 G CA -0.926 44.134 45.100 -0.066 0.000 0.826 153 G HN 0.107 nan 8.290 nan 0.000 0.538 154 Y N 2.710 123.027 120.300 0.027 0.000 2.457 154 Y HA 0.425 4.975 4.550 0.001 0.000 0.341 154 Y C -0.384 175.541 175.900 0.042 0.000 1.240 154 Y CA -0.335 57.785 58.100 0.033 0.000 1.437 154 Y CB 0.480 38.954 38.460 0.024 0.000 1.328 154 Y HN 0.563 nan 8.280 nan 0.000 0.588 155 P HA 0.260 nan 4.420 nan 0.000 0.277 155 P C -0.943 176.477 177.300 0.199 0.000 1.240 155 P CA -0.321 62.961 63.100 0.303 0.000 0.798 155 P CB 1.566 33.450 31.700 0.307 0.000 0.979 156 V N 0.265 120.257 119.914 0.129 0.000 3.166 156 V HA 0.699 4.820 4.120 0.001 0.000 0.317 156 V C -0.358 175.727 176.094 -0.015 0.000 1.136 156 V CA -1.131 61.178 62.300 0.016 0.000 1.035 156 V CB 1.976 33.722 31.823 -0.127 0.000 1.110 156 V HN 0.580 nan 8.190 nan 0.000 0.450 157 I N 1.341 121.883 120.570 -0.046 0.000 2.569 157 I HA 0.514 4.684 4.170 0.001 0.000 0.290 157 I C -1.356 174.677 176.117 -0.140 0.000 1.088 157 I CA -0.873 60.346 61.300 -0.135 0.000 1.047 157 I CB 1.760 39.686 38.000 -0.124 0.000 1.237 157 I HN 0.569 nan 8.210 nan 0.000 0.421 158 I N 7.132 127.605 120.570 -0.162 0.000 2.365 158 I HA 0.393 4.563 4.170 0.001 0.000 0.291 158 I C -0.160 175.792 176.117 -0.275 0.000 1.004 158 I CA -0.404 60.781 61.300 -0.192 0.000 1.311 158 I CB 1.102 39.025 38.000 -0.128 0.000 1.401 158 I HN 0.512 nan 8.210 nan 0.000 0.491 159 K N 4.191 124.304 120.400 -0.478 0.000 2.378 159 K HA 0.690 5.011 4.320 0.001 0.000 0.252 159 K C -0.626 175.695 176.600 -0.464 0.000 0.931 159 K CA -0.750 55.208 56.287 -0.549 0.000 0.794 159 K CB 2.680 34.662 32.500 -0.864 0.000 1.181 159 K HN 0.696 nan 8.250 nan 0.000 0.425 160 A N 1.326 124.026 122.820 -0.199 0.000 2.440 160 A HA 0.123 4.443 4.320 0.001 0.000 0.251 160 A C 0.315 177.933 177.584 0.057 0.000 1.089 160 A CA -0.150 51.851 52.037 -0.060 0.000 0.779 160 A CB 0.180 19.164 19.000 -0.026 0.000 1.022 160 A HN 0.676 nan 8.150 nan 0.000 0.492 161 S N 1.527 117.318 115.700 0.150 0.000 3.033 161 S HA 0.415 4.886 4.470 0.001 0.000 0.258 161 S C 0.666 175.345 174.600 0.132 0.000 1.207 161 S CA 0.479 58.825 58.200 0.243 0.000 1.248 161 S CB -0.728 62.588 63.200 0.194 0.000 0.932 161 S HN 1.255 nan 8.310 nan 0.000 0.472 169 M N -0.139 119.415 119.600 -0.076 0.000 2.724 169 M HA 0.892 5.373 4.480 0.001 0.000 0.310 169 M C -0.608 175.622 176.300 -0.118 0.000 1.217 169 M CA -0.900 54.332 55.300 -0.113 0.000 0.894 169 M CB 2.619 35.150 32.600 -0.114 0.000 1.719 169 M HN 0.338 nan 8.290 nan 0.000 0.479 170 R N 1.005 121.418 120.500 -0.146 0.000 2.533 170 R HA 0.626 4.966 4.340 0.001 0.000 0.288 170 R C -2.081 174.102 176.300 -0.194 0.000 1.039 170 R CA -0.587 55.425 56.100 -0.147 0.000 0.909 170 R CB 2.329 32.567 30.300 -0.103 0.000 1.195 170 R HN 0.745 nan 8.270 nan 0.000 0.438 171 V N 4.646 124.410 119.914 -0.250 0.000 2.614 171 V HA 0.274 4.395 4.120 0.001 0.000 0.291 171 V C -0.205 175.804 176.094 -0.143 0.000 1.049 171 V CA -0.272 61.836 62.300 -0.320 0.000 1.038 171 V CB 1.472 33.022 31.823 -0.455 0.000 0.980 171 V HN 0.478 nan 8.190 nan 0.000 0.481 172 V N 6.300 126.178 119.914 -0.060 0.000 2.483 172 V HA 0.437 4.557 4.120 0.001 0.000 0.297 172 V C 0.557 176.746 176.094 0.159 0.000 1.027 172 V CA -0.644 61.689 62.300 0.054 0.000 0.855 172 V CB 1.661 33.564 31.823 0.133 0.000 0.995 172 V HN 0.828 nan 8.190 nan 0.000 0.424 173 R N 2.538 123.062 120.500 0.040 0.000 2.362 173 R HA 0.518 4.859 4.340 0.001 0.000 0.227 173 R C 0.677 176.765 176.300 -0.353 0.000 0.905 173 R CA 0.369 56.467 56.100 -0.003 0.000 1.067 173 R CB 1.059 31.349 30.300 -0.017 0.000 1.078 173 R HN 0.859 nan 8.270 nan 0.000 0.516 174 G N -0.661 107.730 108.800 -0.681 0.000 2.356 174 G HA2 0.007 3.967 3.960 0.001 0.000 0.294 174 G HA3 0.007 3.967 3.960 0.001 0.000 0.294 174 G C -0.908 173.559 174.900 -0.722 0.000 1.423 174 G CA -0.705 43.681 45.100 -1.190 0.000 0.806 174 G HN -0.167 nan 8.290 nan 0.000 0.527 175 D N 0.328 120.429 120.400 -0.498 0.000 2.137 175 D HA -0.154 4.487 4.640 0.001 0.000 0.189 175 D C 2.878 179.143 176.300 -0.058 0.000 0.998 175 D CA 2.469 56.416 54.000 -0.088 0.000 0.839 175 D CB -0.566 40.216 40.800 -0.030 0.000 0.962 175 D HN 0.702 nan 8.370 nan 0.000 0.446 176 A N 0.896 123.665 122.820 -0.085 0.000 1.985 176 A HA -0.294 4.026 4.320 0.001 0.000 0.223 176 A C 1.755 179.315 177.584 -0.040 0.000 1.189 176 A CA 2.491 54.495 52.037 -0.055 0.000 0.658 176 A CB -0.739 18.223 19.000 -0.064 0.000 0.820 176 A HN 0.617 nan 8.150 nan 0.000 0.464 177 E N -1.204 118.966 120.200 -0.050 0.000 2.501 177 E HA 0.248 4.599 4.350 0.001 0.000 0.201 177 E C 1.391 177.992 176.600 0.002 0.000 1.016 177 E CA -0.015 56.368 56.400 -0.028 0.000 0.920 177 E CB -0.107 29.568 29.700 -0.041 0.000 1.023 177 E HN 0.390 nan 8.360 nan 0.000 0.474 178 L N 1.825 123.066 121.223 0.030 0.000 2.027 178 L HA -0.019 4.321 4.340 0.001 0.000 0.206 178 L C 2.434 179.326 176.870 0.036 0.000 1.074 178 L CA 2.163 57.045 54.840 0.070 0.000 0.745 178 L CB -0.614 41.528 42.059 0.138 0.000 0.898 178 L HN 0.208 nan 8.230 nan 0.000 0.433 179 A N -1.245 121.590 122.820 0.026 0.000 1.865 179 A HA -0.245 4.075 4.320 0.001 0.000 0.217 179 A C 2.226 179.812 177.584 0.005 0.000 1.191 179 A CA 1.757 53.803 52.037 0.015 0.000 0.623 179 A CB -0.689 18.318 19.000 0.012 0.000 0.826 179 A HN 0.578 nan 8.150 nan 0.000 0.444 180 Q N -0.111 119.689 119.800 -0.000 0.000 2.050 180 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 180 Q C 2.515 178.508 176.000 -0.011 0.000 0.980 180 Q CA 1.803 57.601 55.803 -0.007 0.000 0.840 180 Q CB -0.518 28.214 28.738 -0.011 0.000 0.898 180 Q HN 0.647 nan 8.270 nan 0.000 0.424 181 S N 0.821 116.514 115.700 -0.010 0.000 2.383 181 S HA -0.112 4.358 4.470 0.001 0.000 0.229 181 S C 2.002 176.588 174.600 -0.023 0.000 1.030 181 S CA 0.846 59.034 58.200 -0.019 0.000 1.002 181 S CB -0.191 63.000 63.200 -0.015 0.000 0.829 181 S HN 0.310 nan 8.310 nan 0.000 0.467 182 I N 1.069 121.631 120.570 -0.013 0.000 2.252 182 I HA -0.158 4.013 4.170 0.001 0.000 0.245 182 I C 2.381 178.488 176.117 -0.016 0.000 1.102 182 I CA 0.851 62.141 61.300 -0.016 0.000 1.385 182 I CB -0.356 37.642 38.000 -0.003 0.000 1.064 182 I HN 0.219 nan 8.210 nan 0.000 0.414 183 S N 0.766 116.459 115.700 -0.011 0.000 2.359 183 S HA -0.199 4.272 4.470 0.001 0.000 0.224 183 S C 2.014 176.605 174.600 -0.015 0.000 1.035 183 S CA 1.551 59.745 58.200 -0.010 0.000 1.018 183 S CB -0.287 62.909 63.200 -0.008 0.000 0.876 183 S HN 0.343 nan 8.310 nan 0.000 0.448 184 M N 0.989 120.577 119.600 -0.019 0.000 2.117 184 M HA -0.104 4.377 4.480 0.001 0.000 0.262 184 M C 2.351 178.634 176.300 -0.029 0.000 1.065 184 M CA 1.402 56.688 55.300 -0.023 0.000 1.114 184 M CB -1.138 31.446 32.600 -0.026 0.000 1.361 184 M HN 0.246 nan 8.290 nan 0.000 0.408 185 T N -0.059 114.473 114.554 -0.036 0.000 2.788 185 T HA -0.097 4.253 4.350 0.001 0.000 0.268 185 T C 1.922 176.600 174.700 -0.037 0.000 1.044 185 T CA 1.085 63.156 62.100 -0.047 0.000 1.139 185 T CB -0.233 68.595 68.868 -0.067 0.000 0.867 185 T HN 0.345 nan 8.240 nan 0.000 0.454 186 R N 0.543 121.027 120.500 -0.027 0.000 2.073 186 R HA 0.092 4.433 4.340 0.001 0.000 0.229 186 R C 2.827 179.120 176.300 -0.013 0.000 1.120 186 R CA 1.103 57.193 56.100 -0.016 0.000 0.967 186 R CB -0.414 29.881 30.300 -0.009 0.000 0.862 186 R HN 0.373 nan 8.270 nan 0.000 0.436 187 A N 1.178 123.990 122.820 -0.014 0.000 1.908 187 A HA -0.203 4.118 4.320 0.001 0.000 0.218 187 A C 1.787 179.364 177.584 -0.013 0.000 1.181 187 A CA 1.504 53.534 52.037 -0.011 0.000 0.627 187 A CB -0.317 18.675 19.000 -0.012 0.000 0.818 187 A HN 0.342 nan 8.150 nan 0.000 0.445 188 E N -0.659 119.530 120.200 -0.018 0.000 2.274 188 E HA 0.064 4.414 4.350 0.001 0.000 0.194 188 E C 2.048 178.638 176.600 -0.016 0.000 0.996 188 E CA 0.614 57.003 56.400 -0.019 0.000 0.840 188 E CB -0.134 29.550 29.700 -0.027 0.000 0.772 188 E HN 0.643 nan 8.360 nan 0.000 0.491 189 A N 1.116 123.927 122.820 -0.015 0.000 1.984 189 A HA -0.081 4.239 4.320 0.001 0.000 0.214 189 A C 1.768 179.351 177.584 -0.002 0.000 1.173 189 A CA 0.678 52.709 52.037 -0.009 0.000 0.673 189 A CB -0.021 18.973 19.000 -0.009 0.000 0.830 189 A HN -0.005 nan 8.150 nan 0.000 0.453 190 K N 0.442 120.840 120.400 -0.003 0.000 2.360 190 K HA 0.089 4.409 4.320 0.001 0.000 0.201 190 K C 1.047 177.648 176.600 0.000 0.000 1.046 190 K CA 0.684 56.972 56.287 0.000 0.000 0.945 190 K CB -0.346 32.153 32.500 -0.001 0.000 0.750 190 K HN 0.501 nan 8.250 nan 0.000 0.464 197 M N 1.132 120.750 119.600 0.030 0.000 2.383 197 M HA 0.695 5.175 4.480 0.001 0.000 0.325 197 M C -0.016 176.319 176.300 0.059 0.000 1.092 197 M CA -1.051 54.279 55.300 0.050 0.000 0.961 197 M CB 1.895 34.532 32.600 0.063 0.000 1.672 197 M HN 0.374 nan 8.290 nan 0.000 0.438 198 V N 1.338 121.290 119.914 0.065 0.000 3.114 198 V HA 0.829 4.949 4.120 0.001 0.000 0.308 198 V C -1.693 174.470 176.094 0.115 0.000 1.168 198 V CA -0.845 61.469 62.300 0.024 0.000 1.015 198 V CB 2.212 33.998 31.823 -0.060 0.000 1.050 198 V HN 0.910 nan 8.190 nan 0.000 0.433 199 Y N 0.761 121.061 120.300 0.001 0.000 2.634 199 Y HA 0.863 5.414 4.550 0.001 0.000 0.340 199 Y C -0.504 175.394 175.900 -0.003 0.000 1.058 199 Y CA -1.514 56.587 58.100 0.002 0.000 1.081 199 Y CB 2.136 40.600 38.460 0.007 0.000 1.295 199 Y HN 0.899 nan 8.280 nan 0.000 0.487 200 M N 1.890 121.566 119.600 0.128 0.000 2.472 200 M HA 0.492 4.972 4.480 0.001 0.000 0.331 200 M C -1.375 174.997 176.300 0.121 0.000 1.170 200 M CA -0.305 55.011 55.300 0.027 0.000 1.009 200 M CB 2.065 34.671 32.600 0.010 0.000 1.672 200 M HN 1.004 nan 8.290 nan 0.000 0.453 201 E N 2.465 122.694 120.200 0.048 0.000 2.390 201 E HA 0.288 4.638 4.350 0.001 0.000 0.277 201 E C -1.723 174.897 176.600 0.034 0.000 0.939 201 E CA -0.808 55.645 56.400 0.089 0.000 0.769 201 E CB 2.228 32.023 29.700 0.158 0.000 1.251 201 E HN 0.672 nan 8.360 nan 0.000 0.450 202 K N 2.118 122.526 120.400 0.012 0.000 2.382 202 K HA 0.039 4.359 4.320 0.001 0.000 0.275 202 K C -1.281 175.343 176.600 0.039 0.000 1.009 202 K CA -0.179 56.094 56.287 -0.023 0.000 0.970 202 K CB 0.432 32.861 32.500 -0.118 0.000 0.934 202 K HN 0.410 nan 8.250 nan 0.000 0.479 203 Y N 5.586 125.834 120.300 -0.087 0.000 2.369 203 Y HA 0.267 4.817 4.550 0.001 0.000 0.337 203 Y C -1.086 174.774 175.900 -0.067 0.000 0.961 203 Y CA -0.910 57.156 58.100 -0.056 0.000 1.186 203 Y CB 0.510 38.957 38.460 -0.021 0.000 1.139 203 Y HN 0.427 nan 8.280 nan 0.000 0.494 204 L N 6.941 127.948 121.223 -0.359 0.000 2.288 204 L HA 0.301 4.641 4.340 0.001 0.000 0.283 204 L C 1.170 177.724 176.870 -0.527 0.000 1.072 204 L CA 0.006 54.630 54.840 -0.360 0.000 0.862 204 L CB 0.956 42.865 42.059 -0.249 0.000 1.245 204 L HN 0.711 nan 8.230 nan 0.000 0.432 205 E N 2.134 121.987 120.200 -0.577 0.000 2.170 205 E HA -0.011 4.339 4.350 0.001 0.000 0.191 205 E C 0.260 176.794 176.600 -0.110 0.000 0.981 205 E CA 0.560 56.651 56.400 -0.515 0.000 0.830 205 E CB 0.511 29.994 29.700 -0.361 0.000 0.775 205 E HN 0.586 nan 8.360 nan 0.000 0.470 206 N N 1.312 119.980 118.700 -0.054 0.000 2.703 206 N HA 0.196 4.936 4.740 0.001 0.000 0.283 206 N C -2.733 172.787 175.510 0.016 0.000 1.851 206 N CA -0.809 52.272 53.050 0.052 0.000 0.826 206 N CB 1.721 40.230 38.487 0.037 0.000 1.239 206 N HN 0.178 nan 8.380 nan 0.000 0.495 207 P HA 0.369 nan 4.420 nan 0.000 0.282 207 P C -0.361 176.967 177.300 0.047 0.000 1.259 207 P CA -0.372 62.734 63.100 0.011 0.000 0.826 207 P CB 1.899 33.606 31.700 0.010 0.000 1.064 208 R N 0.272 120.844 120.500 0.120 0.000 2.668 208 R HA 0.381 4.721 4.340 0.001 0.000 0.279 208 R C 0.285 176.713 176.300 0.214 0.000 0.976 208 R CA -0.710 55.492 56.100 0.170 0.000 0.978 208 R CB 0.862 31.301 30.300 0.232 0.000 1.133 208 R HN 0.607 nan 8.270 nan 0.000 0.484 209 H N 2.506 121.645 119.070 0.115 0.000 2.690 209 H HA 0.283 4.839 4.556 0.001 0.000 0.289 209 H C -1.367 174.054 175.328 0.154 0.000 1.089 209 H CA -0.247 55.879 56.048 0.130 0.000 1.299 209 H CB 0.484 30.290 29.762 0.075 0.000 1.405 209 H HN 0.157 nan 8.280 nan 0.000 0.463 210 V N 6.797 126.794 119.914 0.138 0.000 2.540 210 V HA 0.248 4.368 4.120 0.001 0.000 0.302 210 V C -0.314 175.942 176.094 0.271 0.000 1.035 210 V CA -0.757 61.671 62.300 0.214 0.000 0.873 210 V CB 1.843 33.757 31.823 0.152 0.000 0.992 210 V HN 0.823 nan 8.190 nan 0.000 0.428 211 E N 5.240 125.610 120.200 0.282 0.000 2.312 211 E HA 0.694 5.045 4.350 0.001 0.000 0.267 211 E C -1.552 175.218 176.600 0.283 0.000 0.894 211 E CA -0.993 55.597 56.400 0.316 0.000 0.773 211 E CB 2.662 32.523 29.700 0.269 0.000 1.241 211 E HN 0.339 nan 8.360 nan 0.000 0.432 212 I N 1.960 122.736 120.570 0.344 0.000 2.377 212 I HA 0.195 4.366 4.170 0.001 0.000 0.293 212 I C -0.264 176.019 176.117 0.276 0.000 0.987 212 I CA -0.759 60.700 61.300 0.265 0.000 1.185 212 I CB 1.330 39.466 38.000 0.228 0.000 1.341 212 I HN 0.688 nan 8.210 nan 0.000 0.455 213 Q N 6.048 125.977 119.800 0.215 0.000 2.256 213 Q HA 0.565 4.905 4.340 0.001 0.000 0.254 213 Q C -0.994 175.130 176.000 0.207 0.000 0.916 213 Q CA -0.348 55.568 55.803 0.188 0.000 0.932 213 Q CB 1.415 30.243 28.738 0.150 0.000 1.207 213 Q HN 0.539 nan 8.270 nan 0.000 0.426 214 V N 1.714 121.746 119.914 0.196 0.000 3.040 214 V HA 0.755 4.876 4.120 0.001 0.000 0.312 214 V C -1.127 175.064 176.094 0.162 0.000 1.115 214 V CA -1.032 61.386 62.300 0.197 0.000 0.998 214 V CB 2.075 34.055 31.823 0.262 0.000 1.042 214 V HN 0.761 nan 8.190 nan 0.000 0.433 215 L N 2.393 123.707 121.223 0.151 0.000 2.438 215 L HA 0.912 5.252 4.340 0.001 0.000 0.270 215 L C -0.291 176.671 176.870 0.154 0.000 0.972 215 L CA -0.602 54.325 54.840 0.145 0.000 0.831 215 L CB 2.020 44.130 42.059 0.085 0.000 1.273 215 L HN 1.102 nan 8.230 nan 0.000 0.405 216 A N 1.197 124.136 122.820 0.199 0.000 2.398 216 A HA 0.544 4.864 4.320 0.001 0.000 0.301 216 A C -0.319 177.329 177.584 0.107 0.000 1.041 216 A CA -0.601 51.542 52.037 0.176 0.000 0.711 216 A CB 1.152 20.323 19.000 0.285 0.000 1.240 216 A HN 0.783 nan 8.150 nan 0.000 0.420 217 D N 1.339 121.778 120.400 0.064 0.000 2.328 217 D HA 0.251 4.891 4.640 0.001 0.000 0.226 217 D C 1.152 177.462 176.300 0.017 0.000 1.066 217 D CA 0.713 54.731 54.000 0.030 0.000 0.861 217 D CB -0.133 40.680 40.800 0.023 0.000 0.912 217 D HN 1.514 nan 8.370 nan 0.000 0.521 218 G N 0.431 109.250 108.800 0.031 0.000 2.180 218 G HA2 -0.373 3.588 3.960 0.001 0.000 0.263 218 G HA3 -0.373 3.588 3.960 0.001 0.000 0.263 218 G C 0.561 175.471 174.900 0.017 0.000 0.989 218 G CA 0.513 45.623 45.100 0.017 0.000 0.692 218 G HN 0.505 nan 8.290 nan 0.000 0.526 219 Q N -1.134 118.679 119.800 0.021 0.000 2.141 219 Q HA 0.459 4.799 4.340 0.001 0.000 0.248 219 Q C 1.551 177.563 176.000 0.019 0.000 0.834 219 Q CA 0.270 56.082 55.803 0.015 0.000 1.096 219 Q CB 0.913 29.657 28.738 0.009 0.000 1.189 219 Q HN 1.340 nan 8.270 nan 0.000 0.471 220 G N 1.184 110.001 108.800 0.029 0.000 2.175 220 G HA2 -0.196 3.764 3.960 0.001 0.000 0.244 220 G HA3 -0.196 3.764 3.960 0.001 0.000 0.244 220 G C -0.178 174.741 174.900 0.030 0.000 0.982 220 G CA -0.415 44.702 45.100 0.028 0.000 0.641 220 G HN 0.314 nan 8.290 nan 0.000 0.527 221 N N 0.798 119.519 118.700 0.035 0.000 2.372 221 N HA 0.725 5.465 4.740 0.001 0.000 0.291 221 N C -0.291 175.251 175.510 0.054 0.000 1.024 221 N CA 0.520 53.590 53.050 0.033 0.000 0.873 221 N CB 2.006 40.506 38.487 0.021 0.000 1.206 221 N HN 0.995 nan 8.380 nan 0.000 0.486 222 A N 1.939 124.793 122.820 0.056 0.000 2.488 222 A HA 0.666 4.987 4.320 0.001 0.000 0.295 222 A C -0.686 176.937 177.584 0.066 0.000 1.045 222 A CA -0.771 51.316 52.037 0.084 0.000 0.703 222 A CB 0.962 20.027 19.000 0.109 0.000 1.271 222 A HN 0.667 nan 8.150 nan 0.000 0.400 223 I N -0.544 120.062 120.570 0.059 0.000 2.785 223 I HA 0.873 5.043 4.170 0.001 0.000 0.302 223 I C -0.965 175.187 176.117 0.057 0.000 1.069 223 I CA -1.216 60.081 61.300 -0.006 0.000 1.045 223 I CB 2.141 40.084 38.000 -0.095 0.000 1.236 223 I HN 0.740 nan 8.210 nan 0.000 0.429 224 Y N 2.896 123.201 120.300 0.008 0.000 2.377 224 Y HA 0.765 5.316 4.550 0.001 0.000 0.339 224 Y C -1.182 174.729 175.900 0.018 0.000 1.011 224 Y CA -1.543 56.567 58.100 0.016 0.000 1.093 224 Y CB 1.290 39.736 38.460 -0.024 0.000 1.201 224 Y HN 0.454 nan 8.280 nan 0.000 0.455 225 L N 5.353 126.653 121.223 0.127 0.000 2.426 225 L HA 0.646 4.986 4.340 0.001 0.000 0.255 225 L C 0.654 177.605 176.870 0.136 0.000 1.080 225 L CA -0.401 54.478 54.840 0.065 0.000 0.960 225 L CB -0.009 42.081 42.059 0.053 0.000 1.326 225 L HN 1.175 nan 8.230 nan 0.000 0.441 226 A N 2.265 125.203 122.820 0.198 0.000 5.920 226 A HA -0.199 4.122 4.320 0.001 0.000 0.295 226 A C 0.309 177.974 177.584 0.135 0.000 1.933 226 A CA 1.489 53.628 52.037 0.170 0.000 0.728 226 A CB -0.470 18.592 19.000 0.104 0.000 1.235 226 A HN 0.790 nan 8.150 nan 0.000 0.386 227 E N 0.059 120.313 120.200 0.089 0.000 2.445 227 E HA 0.804 5.154 4.350 0.001 0.000 0.273 227 E C -0.719 175.927 176.600 0.078 0.000 0.961 227 E CA -0.879 55.575 56.400 0.090 0.000 0.807 227 E CB 1.175 30.914 29.700 0.064 0.000 1.362 227 E HN 0.830 nan 8.360 nan 0.000 0.453 228 R N 0.048 120.613 120.500 0.108 0.000 2.744 228 R HA 0.417 4.757 4.340 0.001 0.000 0.279 228 R C -1.101 175.284 176.300 0.142 0.000 0.977 228 R CA -0.833 55.326 56.100 0.098 0.000 0.906 228 R CB 1.715 32.078 30.300 0.105 0.000 1.197 228 R HN 0.555 nan 8.270 nan 0.000 0.463 229 D N 1.688 122.162 120.400 0.123 0.000 2.344 229 D HA 0.255 4.895 4.640 0.001 0.000 0.239 229 D C -0.710 175.679 176.300 0.149 0.000 1.064 229 D CA -0.372 53.724 54.000 0.161 0.000 0.829 229 D CB 1.366 42.245 40.800 0.131 0.000 1.129 229 D HN 0.586 nan 8.370 nan 0.000 0.506 230 C N 3.111 122.503 119.300 0.152 0.000 3.114 230 C HA 0.241 4.702 4.460 0.001 0.000 0.215 230 C C 1.647 176.606 174.990 -0.052 0.000 1.759 230 C CA -0.578 58.432 59.018 -0.014 0.000 1.455 230 C CB -1.059 26.569 27.740 -0.188 0.000 2.528 230 C HN 0.502 nan 8.230 nan 0.000 0.511 231 S N 0.767 116.512 115.700 0.075 0.000 2.489 231 S HA 0.079 4.549 4.470 0.001 0.000 0.228 231 S C 1.029 175.650 174.600 0.035 0.000 0.995 231 S CA 0.773 59.019 58.200 0.076 0.000 0.934 231 S CB -0.095 63.178 63.200 0.122 0.000 0.771 231 S HN 0.617 nan 8.310 nan 0.000 0.522 232 M N 2.953 122.573 119.600 0.034 0.000 2.266 232 M HA 0.307 4.787 4.480 0.001 0.000 0.340 232 M C -0.156 176.119 176.300 -0.041 0.000 1.486 232 M CA 0.797 56.106 55.300 0.014 0.000 1.209 232 M CB -0.337 32.247 32.600 -0.026 0.000 1.714 232 M HN 0.267 nan 8.290 nan 0.000 0.459 233 Q N 1.772 121.538 119.800 -0.056 0.000 2.495 233 Q HA 0.709 5.050 4.340 0.001 0.000 0.287 233 Q C -0.760 175.165 176.000 -0.124 0.000 1.078 233 Q CA -0.986 54.757 55.803 -0.100 0.000 0.793 233 Q CB 3.520 32.179 28.738 -0.133 0.000 1.459 233 Q HN 0.580 nan 8.270 nan 0.000 0.422 234 R N 0.805 121.216 120.500 -0.147 0.000 2.510 234 R HA 0.408 4.748 4.340 0.001 0.000 0.294 234 R C -0.936 175.262 176.300 -0.171 0.000 1.056 234 R CA -0.396 55.585 56.100 -0.198 0.000 0.918 234 R CB 0.805 30.949 30.300 -0.260 0.000 1.187 234 R HN 0.707 nan 8.270 nan 0.000 0.437 235 R N 2.744 123.144 120.500 -0.167 0.000 3.651 235 R HA -0.194 4.146 4.340 0.001 0.000 0.292 235 R C -0.817 175.554 176.300 0.119 0.000 1.161 235 R CA 1.396 57.485 56.100 -0.018 0.000 0.787 235 R CB -2.407 27.872 30.300 -0.034 0.000 1.249 235 R HN 1.098 nan 8.270 nan 0.000 0.476 236 H N -3.465 115.574 119.070 -0.052 0.000 2.862 236 H HA -0.189 4.367 4.556 0.001 0.000 0.290 236 H C -0.408 174.882 175.328 -0.063 0.000 1.211 236 H CA 1.338 57.359 56.048 -0.045 0.000 1.140 236 H CB -1.061 28.687 29.762 -0.023 0.000 1.341 236 H HN 0.419 nan 8.280 nan 0.000 0.392 237 Q N 1.094 120.881 119.800 -0.021 0.000 2.310 237 Q HA 0.383 4.724 4.340 0.001 0.000 0.270 237 Q C -0.654 175.298 176.000 -0.080 0.000 1.025 237 Q CA -0.864 54.912 55.803 -0.045 0.000 0.772 237 Q CB 1.015 29.730 28.738 -0.039 0.000 1.253 237 Q HN 0.314 nan 8.270 nan 0.000 0.450 238 K N 1.934 122.271 120.400 -0.105 0.000 2.489 238 K HA 0.047 4.368 4.320 0.001 0.000 0.278 238 K C 0.077 176.631 176.600 -0.077 0.000 1.000 238 K CA 0.012 56.229 56.287 -0.117 0.000 1.012 238 K CB 0.808 33.215 32.500 -0.155 0.000 0.903 238 K HN 0.413 nan 8.250 nan 0.000 0.485 239 V N 2.408 122.284 119.914 -0.064 0.000 3.013 239 V HA 0.019 4.140 4.120 0.001 0.000 0.238 239 V C 0.140 176.210 176.094 -0.040 0.000 1.161 239 V CA 0.270 62.547 62.300 -0.039 0.000 1.170 239 V CB 1.090 32.895 31.823 -0.030 0.000 0.917 239 V HN 0.471 nan 8.190 nan 0.000 0.478 240 V N 0.920 120.801 119.914 -0.055 0.000 2.656 240 V HA 0.599 4.719 4.120 0.001 0.000 0.307 240 V C -1.060 175.034 176.094 0.001 0.000 1.051 240 V CA -0.536 61.736 62.300 -0.047 0.000 0.893 240 V CB 2.054 33.785 31.823 -0.152 0.000 0.999 240 V HN 0.443 nan 8.190 nan 0.000 0.426 241 E N 2.494 122.714 120.200 0.034 0.000 2.343 241 E HA 0.743 5.093 4.350 0.001 0.000 0.270 241 E C -1.056 175.599 176.600 0.093 0.000 0.895 241 E CA -0.794 55.637 56.400 0.052 0.000 0.767 241 E CB 2.554 32.262 29.700 0.014 0.000 1.248 241 E HN 0.867 nan 8.360 nan 0.000 0.440 242 E N 0.068 120.322 120.200 0.091 0.000 2.433 242 E HA 0.881 5.231 4.350 0.001 0.000 0.278 242 E C -1.529 175.031 176.600 -0.066 0.000 0.976 242 E CA -1.543 54.883 56.400 0.043 0.000 0.793 242 E CB 1.890 31.700 29.700 0.182 0.000 1.311 242 E HN 0.446 nan 8.360 nan 0.000 0.460 243 A N 1.267 123.910 122.820 -0.296 0.000 2.540 243 A HA 0.621 4.942 4.320 0.001 0.000 0.297 243 A C -2.869 174.368 177.584 -0.578 0.000 1.056 243 A CA -1.308 50.563 52.037 -0.277 0.000 0.700 243 A CB 1.614 20.553 19.000 -0.102 0.000 1.280 243 A HN 0.501 nan 8.150 nan 0.000 0.398 244 P HA 0.419 nan 4.420 nan 0.000 0.277 244 P C -0.012 177.280 177.300 -0.013 0.000 1.276 244 P CA -0.097 62.960 63.100 -0.072 0.000 0.788 244 P CB 0.764 32.475 31.700 0.018 0.000 1.114 245 A N 0.831 123.664 122.820 0.021 0.000 2.347 245 A HA 0.423 4.743 4.320 0.001 0.000 0.287 245 A C -2.127 175.475 177.584 0.030 0.000 1.199 245 A CA -1.482 50.573 52.037 0.030 0.000 0.851 245 A CB -1.373 17.616 19.000 -0.018 0.000 1.118 245 A HN 0.344 nan 8.150 nan 0.000 0.525 246 P HA 0.131 nan 4.420 nan 0.000 0.263 246 P C 1.225 178.516 177.300 -0.015 0.000 1.175 246 P CA 2.084 65.191 63.100 0.012 0.000 0.761 246 P CB 0.549 32.231 31.700 -0.030 0.000 0.794 247 G N 2.742 111.529 108.800 -0.021 0.000 2.234 247 G HA2 -0.234 3.726 3.960 0.001 0.000 0.260 247 G HA3 -0.234 3.726 3.960 0.001 0.000 0.260 247 G C 0.238 175.130 174.900 -0.013 0.000 0.987 247 G CA -0.401 44.696 45.100 -0.005 0.000 0.625 247 G HN 0.501 nan 8.290 nan 0.000 0.532 248 I N 3.417 123.955 120.570 -0.053 0.000 2.406 248 I HA 0.234 4.405 4.170 0.001 0.000 0.293 248 I C 1.519 177.634 176.117 -0.003 0.000 1.101 248 I CA 0.456 61.718 61.300 -0.063 0.000 1.334 248 I CB -0.366 37.580 38.000 -0.090 0.000 1.421 248 I HN 0.374 nan 8.210 nan 0.000 0.513 249 T N 4.884 119.448 114.554 0.017 0.000 2.898 249 T HA 0.234 4.585 4.350 0.001 0.000 0.301 249 T C -1.660 173.060 174.700 0.034 0.000 1.049 249 T CA -1.368 60.747 62.100 0.025 0.000 1.095 249 T CB 1.228 70.112 68.868 0.027 0.000 0.976 249 T HN 0.286 nan 8.240 nan 0.000 0.539 250 P HA -0.085 nan 4.420 nan 0.000 0.216 250 P C 1.270 178.600 177.300 0.050 0.000 1.150 250 P CA 1.029 64.159 63.100 0.050 0.000 0.843 250 P CB 0.069 31.798 31.700 0.048 0.000 0.787 251 E N -0.714 119.512 120.200 0.043 0.000 2.058 251 E HA -0.146 4.204 4.350 0.001 0.000 0.194 251 E C 2.036 178.674 176.600 0.064 0.000 0.997 251 E CA 0.997 57.426 56.400 0.048 0.000 0.801 251 E CB -1.141 28.578 29.700 0.032 0.000 0.746 251 E HN 0.196 nan 8.360 nan 0.000 0.450 252 L N 0.173 121.432 121.223 0.061 0.000 2.027 252 L HA -0.159 4.181 4.340 0.001 0.000 0.206 252 L C 2.677 179.574 176.870 0.045 0.000 1.074 252 L CA 1.285 56.187 54.840 0.102 0.000 0.745 252 L CB -0.260 41.890 42.059 0.152 0.000 0.898 252 L HN 0.108 nan 8.230 nan 0.000 0.433 253 R N 0.221 120.722 120.500 0.001 0.000 2.094 253 R HA -0.265 4.075 4.340 0.001 0.000 0.239 253 R C 2.459 178.638 176.300 -0.201 0.000 1.137 253 R CA 2.106 58.157 56.100 -0.082 0.000 0.943 253 R CB -0.262 30.049 30.300 0.018 0.000 0.850 253 R HN 0.202 nan 8.270 nan 0.000 0.433 254 R N -0.777 119.676 120.500 -0.078 0.000 2.081 254 R HA -0.221 4.119 4.340 0.001 0.000 0.235 254 R C 2.226 178.394 176.300 -0.220 0.000 1.131 254 R CA 1.892 57.926 56.100 -0.111 0.000 0.960 254 R CB -0.527 29.797 30.300 0.040 0.000 0.856 254 R HN 0.382 nan 8.270 nan 0.000 0.436 255 Y N 0.507 120.671 120.300 -0.227 0.000 2.097 255 Y HA -0.247 4.303 4.550 0.001 0.000 0.282 255 Y C 1.994 177.668 175.900 -0.378 0.000 1.152 255 Y CA 1.985 59.946 58.100 -0.232 0.000 1.136 255 Y CB -0.282 38.093 38.460 -0.143 0.000 0.975 255 Y HN 0.112 nan 8.280 nan 0.000 0.498 256 I N 0.511 120.841 120.570 -0.400 0.000 2.406 256 I HA -0.015 4.155 4.170 0.001 0.000 0.249 256 I C 2.447 178.116 176.117 -0.746 0.000 1.122 256 I CA 1.565 62.427 61.300 -0.730 0.000 1.431 256 I CB -0.980 36.230 38.000 -1.317 0.000 1.087 256 I HN 0.337 nan 8.210 nan 0.000 0.424 257 G N -0.357 107.925 108.800 -0.863 0.000 2.421 257 G HA2 -0.250 3.711 3.960 0.001 0.000 0.216 257 G HA3 -0.250 3.711 3.960 0.001 0.000 0.216 257 G C 1.581 175.863 174.900 -1.029 0.000 1.171 257 G CA 0.797 45.109 45.100 -1.314 0.000 0.775 257 G HN 0.449 nan 8.290 nan 0.000 0.543 258 E N 0.026 119.747 120.200 -0.798 0.000 2.110 258 E HA -0.100 4.251 4.350 0.001 0.000 0.193 258 E C 2.764 179.167 176.600 -0.329 0.000 0.988 258 E CA 0.611 56.804 56.400 -0.345 0.000 0.804 258 E CB -0.069 29.486 29.700 -0.241 0.000 0.745 258 E HN 0.321 nan 8.360 nan 0.000 0.458 259 R N -0.237 119.988 120.500 -0.458 0.000 2.115 259 R HA -0.073 4.268 4.340 0.001 0.000 0.230 259 R C 2.351 178.410 176.300 -0.401 0.000 1.111 259 R CA 1.103 56.957 56.100 -0.410 0.000 0.976 259 R CB -0.211 29.795 30.300 -0.490 0.000 0.870 259 R HN 0.234 nan 8.270 nan 0.000 0.445 260 C N -0.337 118.667 119.300 -0.494 0.000 2.457 260 C HA 0.077 4.537 4.460 0.001 0.000 0.278 260 C C 2.846 177.611 174.990 -0.375 0.000 1.309 260 C CA 0.537 59.125 59.018 -0.716 0.000 1.735 260 C CB -0.717 26.543 27.740 -0.801 0.000 1.992 260 C HN 0.585 nan 8.230 nan 0.000 0.493 261 A N 0.688 123.411 122.820 -0.162 0.000 1.940 261 A HA -0.250 4.070 4.320 0.001 0.000 0.219 261 A C 2.227 179.800 177.584 -0.018 0.000 1.176 261 A CA 2.091 54.132 52.037 0.007 0.000 0.631 261 A CB -0.569 18.497 19.000 0.109 0.000 0.814 261 A HN 0.697 nan 8.150 nan 0.000 0.446 262 K N -0.324 120.025 120.400 -0.085 0.000 2.025 262 K HA -0.069 4.251 4.320 0.001 0.000 0.207 262 K C 2.174 178.745 176.600 -0.047 0.000 1.049 262 K CA 1.213 57.460 56.287 -0.068 0.000 0.933 262 K CB -0.361 32.073 32.500 -0.110 0.000 0.714 262 K HN 0.340 nan 8.250 nan 0.000 0.438 263 A N 0.994 123.758 122.820 -0.092 0.000 1.940 263 A HA -0.184 4.136 4.320 0.001 0.000 0.219 263 A C 2.443 180.082 177.584 0.090 0.000 1.176 263 A CA 1.712 53.732 52.037 -0.028 0.000 0.631 263 A CB -1.044 17.905 19.000 -0.086 0.000 0.814 263 A HN 0.581 nan 8.150 nan 0.000 0.446 264 C N -1.361 118.016 119.300 0.128 0.000 2.413 264 C HA -0.092 4.368 4.460 0.001 0.000 0.277 264 C C 2.745 177.838 174.990 0.171 0.000 1.228 264 C CA 1.170 60.313 59.018 0.208 0.000 1.731 264 C CB -1.321 26.547 27.740 0.213 0.000 2.042 264 C HN 0.475 nan 8.230 nan 0.000 0.468 265 V N 1.149 121.125 119.914 0.104 0.000 2.295 265 V HA -0.215 3.905 4.120 0.001 0.000 0.246 265 V C 2.125 178.256 176.094 0.062 0.000 1.049 265 V CA 2.357 64.702 62.300 0.075 0.000 1.024 265 V CB -0.821 31.028 31.823 0.044 0.000 0.648 265 V HN 0.448 nan 8.190 nan 0.000 0.447 266 D N 0.389 120.817 120.400 0.046 0.000 2.158 266 D HA -0.163 4.477 4.640 0.001 0.000 0.197 266 D C 1.793 178.122 176.300 0.049 0.000 0.995 266 D CA 1.971 55.990 54.000 0.032 0.000 0.846 266 D CB -0.221 40.586 40.800 0.011 0.000 0.941 266 D HN 0.684 nan 8.370 nan 0.000 0.456 267 I N -4.306 116.314 120.570 0.083 0.000 3.883 267 I HA 0.328 4.499 4.170 0.001 0.000 0.326 267 I C 1.082 177.265 176.117 0.109 0.000 1.283 267 I CA 0.377 61.735 61.300 0.097 0.000 1.161 267 I CB 0.012 38.089 38.000 0.129 0.000 1.012 267 I HN -0.014 nan 8.210 nan 0.000 0.421 268 G N 1.753 110.616 108.800 0.106 0.000 2.246 268 G HA2 -0.362 3.598 3.960 0.001 0.000 0.273 268 G HA3 -0.362 3.598 3.960 0.001 0.000 0.273 268 G C -0.000 174.962 174.900 0.103 0.000 1.055 268 G CA 0.301 45.452 45.100 0.084 0.000 0.851 268 G HN 0.680 nan 8.290 nan 0.000 0.500 269 Y N 0.381 120.711 120.300 0.050 0.000 2.597 269 Y HA 0.404 4.955 4.550 0.001 0.000 0.336 269 Y C 0.967 176.895 175.900 0.046 0.000 1.216 269 Y CA 0.257 58.389 58.100 0.053 0.000 1.463 269 Y CB 0.520 39.026 38.460 0.077 0.000 1.303 269 Y HN 0.362 nan 8.280 nan 0.000 0.576 270 R N 4.445 124.593 120.500 -0.587 0.000 2.483 270 R HA 0.552 4.892 4.340 0.001 0.000 0.303 270 R C -0.309 175.745 176.300 -0.411 0.000 0.987 270 R CA 0.323 56.228 56.100 -0.325 0.000 0.881 270 R CB 0.749 30.928 30.300 -0.201 0.000 1.177 270 R HN 1.025 nan 8.270 nan 0.000 0.451 271 G N 2.198 110.928 108.800 -0.116 0.000 2.378 271 G HA2 0.050 4.010 3.960 0.001 0.000 0.198 271 G HA3 0.050 4.010 3.960 0.001 0.000 0.198 271 G C -1.312 173.702 174.900 0.189 0.000 1.223 271 G CA -0.416 44.668 45.100 -0.026 0.000 1.088 271 G HN 0.810 nan 8.290 nan 0.000 0.530 272 A N -0.292 122.627 122.820 0.164 0.000 2.309 272 A HA 0.964 5.284 4.320 0.001 0.000 0.298 272 A C 0.687 178.455 177.584 0.307 0.000 1.165 272 A CA 1.038 53.197 52.037 0.202 0.000 0.821 272 A CB 1.086 20.145 19.000 0.098 0.000 1.102 272 A HN 2.492 nan 8.150 nan 0.000 0.500 273 G N -0.280 108.632 108.800 0.187 0.000 2.682 273 G HA2 0.646 4.606 3.960 0.001 0.000 0.290 273 G HA3 0.646 4.606 3.960 0.001 0.000 0.290 273 G C -1.148 173.699 174.900 -0.088 0.000 1.425 273 G CA -0.409 44.675 45.100 -0.027 0.000 0.807 273 G HN 0.791 nan 8.290 nan 0.000 0.482 274 T N 0.344 114.778 114.554 -0.200 0.000 2.971 274 T HA 0.487 4.838 4.350 0.001 0.000 0.304 274 T C -1.486 173.080 174.700 -0.223 0.000 1.038 274 T CA -0.204 61.848 62.100 -0.080 0.000 1.007 274 T CB 1.114 69.992 68.868 0.017 0.000 1.055 274 T HN 0.298 nan 8.240 nan 0.000 0.451 275 F N 2.333 122.280 119.950 -0.005 0.000 2.385 275 F HA 0.373 4.901 4.527 0.001 0.000 0.360 275 F C 1.002 176.673 175.800 -0.215 0.000 1.122 275 F CA -0.801 57.138 58.000 -0.103 0.000 1.090 275 F CB 1.021 40.011 39.000 -0.016 0.000 1.150 275 F HN 0.410 nan 8.300 nan 0.000 0.472 276 E N 4.244 124.273 120.200 -0.284 0.000 2.174 276 E HA 0.437 4.788 4.350 0.001 0.000 0.282 276 E C -1.132 175.155 176.600 -0.522 0.000 0.992 276 E CA -0.406 55.815 56.400 -0.299 0.000 0.803 276 E CB 1.356 30.927 29.700 -0.215 0.000 1.090 276 E HN 0.337 nan 8.360 nan 0.000 0.396 277 F N 1.289 121.173 119.950 -0.110 0.000 2.618 277 F HA 0.468 4.995 4.527 0.001 0.000 0.332 277 F C -0.030 175.763 175.800 -0.011 0.000 1.061 277 F CA -1.018 57.012 58.000 0.050 0.000 0.974 277 F CB 1.027 40.238 39.000 0.352 0.000 1.310 277 F HN 0.162 nan 8.300 nan 0.000 0.491 278 L N 1.500 122.942 121.223 0.365 0.000 2.317 278 L HA 0.455 4.796 4.340 0.001 0.000 0.281 278 L C -1.337 175.749 176.870 0.359 0.000 1.024 278 L CA -0.640 54.358 54.840 0.263 0.000 0.810 278 L CB 1.796 43.982 42.059 0.211 0.000 1.240 278 L HN 0.538 nan 8.230 nan 0.000 0.427 279 F N 3.313 123.284 119.950 0.035 0.000 2.477 279 F HA 0.503 5.030 4.527 0.001 0.000 0.335 279 F C -0.363 175.389 175.800 -0.080 0.000 1.130 279 F CA -0.194 57.703 58.000 -0.170 0.000 0.948 279 F CB 1.301 40.091 39.000 -0.349 0.000 1.154 279 F HN 0.471 nan 8.300 nan 0.000 0.439 280 E N 4.949 124.782 120.200 -0.611 0.000 2.335 280 E HA 0.233 4.584 4.350 0.001 0.000 0.280 280 E C -1.000 175.311 176.600 -0.481 0.000 0.918 280 E CA -0.680 55.461 56.400 -0.431 0.000 0.765 280 E CB 1.034 30.663 29.700 -0.118 0.000 1.218 280 E HN 0.718 nan 8.360 nan 0.000 0.425 281 N N 2.668 121.121 118.700 -0.411 0.000 2.725 281 N HA -0.221 4.519 4.740 0.001 0.000 0.251 281 N C 0.527 175.802 175.510 -0.391 0.000 1.031 281 N CA 1.466 54.340 53.050 -0.293 0.000 0.720 281 N CB -1.466 36.932 38.487 -0.147 0.000 0.930 281 N HN 1.006 nan 8.380 nan 0.000 0.543 282 G N -1.147 107.254 108.800 -0.665 0.000 2.187 282 G HA2 -0.334 3.626 3.960 0.001 0.000 0.261 282 G HA3 -0.334 3.626 3.960 0.001 0.000 0.261 282 G C -0.240 174.370 174.900 -0.482 0.000 1.000 282 G CA 0.884 45.675 45.100 -0.516 0.000 0.718 282 G HN 0.518 nan 8.290 nan 0.000 0.519 283 E N -0.862 118.921 120.200 -0.695 0.000 2.199 283 E HA 0.636 4.987 4.350 0.001 0.000 0.269 283 E C -0.488 175.714 176.600 -0.663 0.000 0.899 283 E CA -0.826 55.252 56.400 -0.536 0.000 0.772 283 E CB 1.214 30.639 29.700 -0.458 0.000 1.155 283 E HN 0.117 nan 8.360 nan 0.000 0.408 284 F N 1.539 121.254 119.950 -0.392 0.000 2.399 284 F HA 0.351 4.878 4.527 0.001 0.000 0.334 284 F C -0.204 175.374 175.800 -0.370 0.000 1.097 284 F CA -0.439 57.421 58.000 -0.232 0.000 1.076 284 F CB 0.894 39.680 39.000 -0.357 0.000 1.162 284 F HN 0.302 nan 8.300 nan 0.000 0.495 285 Y N 3.330 123.949 120.300 0.533 0.000 2.322 285 Y HA 0.241 4.791 4.550 0.001 0.000 0.324 285 Y C -0.392 175.854 175.900 0.577 0.000 1.027 285 Y CA -1.253 57.128 58.100 0.469 0.000 1.179 285 Y CB 1.113 39.719 38.460 0.243 0.000 1.136 285 Y HN 0.483 nan 8.280 nan 0.000 0.449 286 F N 4.582 124.864 119.950 0.552 0.000 2.608 286 F HA 0.076 4.603 4.527 0.001 0.000 0.380 286 F C 0.104 175.931 175.800 0.046 0.000 1.083 286 F CA 0.470 58.508 58.000 0.064 0.000 1.266 286 F CB 0.572 39.583 39.000 0.019 0.000 1.076 286 F HN 0.470 nan 8.300 nan 0.000 0.574 287 I N 2.983 123.001 120.570 -0.919 0.000 3.565 287 I HA 0.162 4.332 4.170 0.001 0.000 0.287 287 I C 0.077 175.559 176.117 -1.058 0.000 1.193 287 I CA 0.805 61.710 61.300 -0.660 0.000 1.402 287 I CB -0.663 37.130 38.000 -0.345 0.000 1.284 287 I HN 0.783 nan 8.210 nan 0.000 0.454 288 E N 0.643 119.908 120.200 -1.559 0.000 2.393 288 E HA 0.265 4.615 4.350 0.001 0.000 0.278 288 E C -1.474 174.803 176.600 -0.538 0.000 1.171 288 E CA -0.678 55.138 56.400 -0.973 0.000 0.904 288 E CB 1.616 31.105 29.700 -0.351 0.000 1.309 288 E HN -0.012 nan 8.360 nan 0.000 0.423 289 M N 2.689 122.216 119.600 -0.122 0.000 2.243 289 M HA 0.486 4.967 4.480 0.001 0.000 0.324 289 M C -1.659 174.535 176.300 -0.176 0.000 1.031 289 M CA -0.677 54.486 55.300 -0.230 0.000 0.949 289 M CB 1.499 33.880 32.600 -0.365 0.000 1.615 289 M HN 0.450 nan 8.290 nan 0.000 0.430 290 N N 3.651 122.245 118.700 -0.177 0.000 2.408 290 N HA 0.175 4.915 4.740 0.001 0.000 0.257 290 N C -0.418 175.073 175.510 -0.032 0.000 1.064 290 N CA 0.011 53.022 53.050 -0.064 0.000 0.952 290 N CB 1.383 39.852 38.487 -0.030 0.000 1.093 290 N HN 0.665 nan 8.380 nan 0.000 0.490 291 T N 0.745 115.342 114.554 0.072 0.000 3.855 291 T HA 0.438 4.788 4.350 0.001 0.000 0.306 291 T C 0.427 175.257 174.700 0.217 0.000 1.575 291 T CA -0.630 61.613 62.100 0.239 0.000 1.214 291 T CB -0.427 68.606 68.868 0.275 0.000 1.262 291 T HN 0.716 nan 8.240 nan 0.000 0.883 292 R N -0.699 119.907 120.500 0.176 0.000 2.888 292 R HA 0.553 4.894 4.340 0.001 0.000 0.277 292 R C -1.666 174.704 176.300 0.115 0.000 0.981 292 R CA -1.214 54.968 56.100 0.136 0.000 0.841 292 R CB 0.118 30.509 30.300 0.151 0.000 1.405 292 R HN 0.162 nan 8.270 nan 0.000 0.472 293 I N 1.268 121.904 120.570 0.109 0.000 2.638 293 I HA 0.151 4.322 4.170 0.001 0.000 0.286 293 I C -0.142 176.045 176.117 0.116 0.000 1.088 293 I CA 0.041 61.386 61.300 0.075 0.000 1.397 293 I CB 1.112 39.110 38.000 -0.002 0.000 1.414 293 I HN 0.390 nan 8.210 nan 0.000 0.566 294 Q N 4.215 124.077 119.800 0.103 0.000 2.260 294 Q HA 0.237 4.577 4.340 0.001 0.000 0.238 294 Q C 1.001 177.074 176.000 0.122 0.000 0.948 294 Q CA -0.359 55.492 55.803 0.080 0.000 0.895 294 Q CB 1.823 30.614 28.738 0.088 0.000 1.218 294 Q HN 0.650 nan 8.270 nan 0.000 0.470 295 V N 1.408 121.231 119.914 -0.153 0.000 2.295 295 V HA -0.233 3.887 4.120 0.001 0.000 0.246 295 V C 1.748 177.865 176.094 0.039 0.000 1.049 295 V CA 2.179 64.319 62.300 -0.267 0.000 1.024 295 V CB -0.478 31.039 31.823 -0.511 0.000 0.648 295 V HN 0.783 nan 8.190 nan 0.000 0.447 296 E N 1.332 121.531 120.200 -0.002 0.000 2.416 296 E HA -0.158 4.192 4.350 0.001 0.000 0.189 296 E C 1.649 178.240 176.600 -0.015 0.000 1.091 296 E CA 0.306 56.692 56.400 -0.022 0.000 0.889 296 E CB -0.816 28.872 29.700 -0.020 0.000 1.015 296 E HN 0.896 nan 8.360 nan 0.000 0.479 297 H N 0.600 119.686 119.070 0.028 0.000 2.426 297 H HA -0.008 4.548 4.556 0.001 0.000 0.298 297 H C -1.010 174.344 175.328 0.042 0.000 1.107 297 H CA 0.993 57.069 56.048 0.045 0.000 1.298 297 H CB -1.815 27.984 29.762 0.061 0.000 1.377 297 H HN 0.176 nan 8.280 nan 0.000 0.519 298 P HA -0.184 nan 4.420 nan 0.000 0.215 298 P C 2.370 179.614 177.300 -0.094 0.000 1.157 298 P CA 2.336 65.239 63.100 -0.328 0.000 0.874 298 P CB -0.288 31.220 31.700 -0.321 0.000 0.790 299 V N -3.543 116.339 119.914 -0.055 0.000 2.469 299 V HA -0.254 3.867 4.120 0.001 0.000 0.251 299 V C 1.865 177.974 176.094 0.026 0.000 1.064 299 V CA 2.655 64.958 62.300 0.004 0.000 1.066 299 V CB -2.247 29.573 31.823 -0.004 0.000 0.667 299 V HN 0.087 nan 8.190 nan 0.000 0.461 300 T N -0.037 114.536 114.554 0.032 0.000 2.942 300 T HA -0.053 4.298 4.350 0.001 0.000 0.265 300 T C 1.800 176.535 174.700 0.058 0.000 1.062 300 T CA 1.625 63.758 62.100 0.056 0.000 1.139 300 T CB -0.217 68.700 68.868 0.082 0.000 0.883 300 T HN 0.676 nan 8.240 nan 0.000 0.468 301 E N 0.979 121.208 120.200 0.048 0.000 2.072 301 E HA -0.038 4.312 4.350 0.001 0.000 0.191 301 E C 2.166 178.776 176.600 0.016 0.000 0.985 301 E CA 1.002 57.425 56.400 0.039 0.000 0.801 301 E CB -0.162 29.561 29.700 0.038 0.000 0.750 301 E HN 0.493 nan 8.360 nan 0.000 0.452 302 M N 0.432 120.047 119.600 0.025 0.000 2.296 302 M HA -0.068 4.412 4.480 0.001 0.000 0.265 302 M C 2.415 178.744 176.300 0.048 0.000 1.064 302 M CA 1.131 56.432 55.300 0.001 0.000 1.109 302 M CB -0.347 32.313 32.600 0.100 0.000 1.396 302 M HN 0.216 nan 8.290 nan 0.000 0.430 303 I N -2.691 117.971 120.570 0.152 0.000 3.603 303 I HA 0.050 4.220 4.170 0.001 0.000 0.297 303 I C 1.817 178.005 176.117 0.118 0.000 1.269 303 I CA 0.927 62.355 61.300 0.213 0.000 1.361 303 I CB -0.356 37.741 38.000 0.162 0.000 1.063 303 I HN 0.158 nan 8.210 nan 0.000 0.448 304 T N -3.310 111.283 114.554 0.065 0.000 2.971 304 T HA 0.388 4.738 4.350 0.001 0.000 0.252 304 T C 1.616 176.325 174.700 0.015 0.000 1.022 304 T CA 0.497 62.623 62.100 0.043 0.000 0.980 304 T CB 0.381 69.267 68.868 0.030 0.000 1.044 304 T HN 0.583 nan 8.240 nan 0.000 0.501 305 G N 1.163 109.961 108.800 -0.003 0.000 2.153 305 G HA2 -0.208 3.753 3.960 0.001 0.000 0.252 305 G HA3 -0.208 3.753 3.960 0.001 0.000 0.252 305 G C -0.005 174.888 174.900 -0.013 0.000 0.994 305 G CA 0.168 45.254 45.100 -0.023 0.000 0.698 305 G HN 0.760 nan 8.290 nan 0.000 0.521 306 V N 0.697 120.611 119.914 0.001 0.000 2.472 306 V HA 0.488 4.609 4.120 0.001 0.000 0.290 306 V C 0.010 176.119 176.094 0.024 0.000 1.037 306 V CA -0.736 61.568 62.300 0.006 0.000 0.908 306 V CB 1.915 33.743 31.823 0.009 0.000 0.985 306 V HN 0.302 nan 8.190 nan 0.000 0.454 307 D N 4.017 124.429 120.400 0.020 0.000 2.411 307 D HA 0.259 4.900 4.640 0.001 0.000 0.225 307 D C 0.971 177.297 176.300 0.043 0.000 1.156 307 D CA -0.077 53.943 54.000 0.035 0.000 0.874 307 D CB 1.143 41.951 40.800 0.013 0.000 1.034 307 D HN 0.435 nan 8.370 nan 0.000 0.502 308 L N 3.660 124.931 121.223 0.080 0.000 2.083 308 L HA -0.179 4.162 4.340 0.001 0.000 0.209 308 L C 2.096 178.983 176.870 0.029 0.000 1.083 308 L CA 0.570 55.450 54.840 0.067 0.000 0.752 308 L CB -0.225 41.901 42.059 0.112 0.000 0.899 308 L HN 0.514 nan 8.230 nan 0.000 0.433 309 I N 0.122 120.701 120.570 0.015 0.000 2.179 309 I HA -0.255 3.915 4.170 0.001 0.000 0.242 309 I C 2.502 178.627 176.117 0.014 0.000 1.088 309 I CA 1.567 62.868 61.300 0.001 0.000 1.357 309 I CB -0.989 36.987 38.000 -0.040 0.000 1.051 309 I HN 0.298 nan 8.210 nan 0.000 0.409 310 K N 0.473 120.869 120.400 -0.005 0.000 2.097 310 K HA -0.177 4.144 4.320 0.001 0.000 0.206 310 K C 1.901 178.488 176.600 -0.021 0.000 1.049 310 K CA 0.948 57.216 56.287 -0.031 0.000 0.933 310 K CB -0.059 32.417 32.500 -0.041 0.000 0.717 310 K HN 0.272 nan 8.250 nan 0.000 0.442 311 E N 1.211 121.411 120.200 -0.001 0.000 2.110 311 E HA -0.184 4.167 4.350 0.001 0.000 0.193 311 E C 2.012 178.614 176.600 0.004 0.000 0.988 311 E CA 1.125 57.528 56.400 0.005 0.000 0.804 311 E CB -0.102 29.608 29.700 0.017 0.000 0.745 311 E HN 0.395 nan 8.360 nan 0.000 0.458 312 Q N 0.131 119.932 119.800 0.002 0.000 2.050 312 Q HA -0.092 4.248 4.340 0.001 0.000 0.202 312 Q C 2.477 178.455 176.000 -0.037 0.000 0.980 312 Q CA 1.030 56.816 55.803 -0.030 0.000 0.840 312 Q CB -0.158 28.557 28.738 -0.039 0.000 0.898 312 Q HN 0.278 nan 8.270 nan 0.000 0.424 313 L N 0.121 121.341 121.223 -0.007 0.000 2.046 313 L HA -0.197 4.144 4.340 0.001 0.000 0.208 313 L C 2.511 179.428 176.870 0.078 0.000 1.077 313 L CA 1.245 56.099 54.840 0.025 0.000 0.747 313 L CB -0.447 41.598 42.059 -0.024 0.000 0.896 313 L HN 0.190 nan 8.230 nan 0.000 0.432 314 R N 0.021 120.548 120.500 0.044 0.000 2.092 314 R HA -0.089 4.251 4.340 0.001 0.000 0.231 314 R C 2.259 178.592 176.300 0.055 0.000 1.119 314 R CA 1.183 57.334 56.100 0.083 0.000 0.970 314 R CB -0.294 30.030 30.300 0.040 0.000 0.864 314 R HN 0.369 nan 8.270 nan 0.000 0.440 315 I N 0.519 121.102 120.570 0.021 0.000 2.252 315 I HA -0.200 3.971 4.170 0.001 0.000 0.245 315 I C 2.504 178.616 176.117 -0.009 0.000 1.102 315 I CA 1.016 62.318 61.300 0.003 0.000 1.385 315 I CB -0.320 37.674 38.000 -0.010 0.000 1.064 315 I HN 0.153 nan 8.210 nan 0.000 0.414 316 A N 0.605 123.414 122.820 -0.017 0.000 2.019 316 A HA -0.035 4.286 4.320 0.001 0.000 0.219 316 A C 2.246 179.828 177.584 -0.004 0.000 1.164 316 A CA 1.542 53.561 52.037 -0.030 0.000 0.644 316 A CB -0.541 18.425 19.000 -0.057 0.000 0.805 316 A HN 0.419 nan 8.150 nan 0.000 0.449 317 A N -1.645 121.190 122.820 0.026 0.000 2.302 317 A HA 0.431 4.752 4.320 0.001 0.000 0.219 317 A C 1.676 179.255 177.584 -0.009 0.000 1.243 317 A CA 1.035 53.071 52.037 -0.001 0.000 0.856 317 A CB -1.037 17.980 19.000 0.027 0.000 0.893 317 A HN 1.810 nan 8.150 nan 0.000 0.491 318 G N -1.040 107.758 108.800 -0.003 0.000 2.159 318 G HA2 -0.265 3.695 3.960 0.001 0.000 0.256 318 G HA3 -0.265 3.695 3.960 0.001 0.000 0.256 318 G C 0.055 174.957 174.900 0.002 0.000 0.977 318 G CA 0.329 45.426 45.100 -0.006 0.000 0.652 318 G HN 0.649 nan 8.290 nan 0.000 0.531 319 Q N 0.673 120.481 119.800 0.014 0.000 2.288 319 Q HA 0.416 4.756 4.340 0.001 0.000 0.254 319 Q C -2.264 173.743 176.000 0.012 0.000 0.932 319 Q CA -1.646 54.167 55.803 0.017 0.000 0.902 319 Q CB 1.008 29.765 28.738 0.031 0.000 1.203 319 Q HN 0.239 nan 8.270 nan 0.000 0.415 320 P HA 0.010 nan 4.420 nan 0.000 0.272 320 P C -0.587 176.718 177.300 0.008 0.000 1.230 320 P CA -0.271 62.834 63.100 0.008 0.000 0.788 320 P CB 0.546 32.249 31.700 0.005 0.000 0.949 321 L N 1.312 122.540 121.223 0.009 0.000 2.499 321 L HA -0.023 4.317 4.340 0.001 0.000 0.273 321 L C 1.661 178.528 176.870 -0.004 0.000 1.195 321 L CA 0.408 55.251 54.840 0.005 0.000 0.882 321 L CB 0.261 42.323 42.059 0.006 0.000 1.133 321 L HN 0.549 nan 8.230 nan 0.000 0.483 322 S N 3.294 118.989 115.700 -0.008 0.000 2.406 322 S HA 0.106 4.576 4.470 0.001 0.000 0.224 322 S C 0.727 175.311 174.600 -0.027 0.000 1.030 322 S CA -0.064 58.128 58.200 -0.014 0.000 0.958 322 S CB -0.077 63.116 63.200 -0.012 0.000 0.811 322 S HN 0.454 nan 8.310 nan 0.000 0.489 323 I N 2.366 122.914 120.570 -0.035 0.000 2.529 323 I HA 0.238 4.409 4.170 0.001 0.000 0.284 323 I C 0.262 176.340 176.117 -0.066 0.000 1.082 323 I CA -0.191 61.073 61.300 -0.060 0.000 1.406 323 I CB 0.677 38.636 38.000 -0.069 0.000 1.405 323 I HN 0.064 nan 8.210 nan 0.000 0.548 324 K N 4.055 124.405 120.400 -0.084 0.000 2.156 324 K HA 0.197 4.517 4.320 0.001 0.000 0.254 324 K C 0.425 176.951 176.600 -0.124 0.000 0.950 324 K CA -0.737 55.501 56.287 -0.081 0.000 0.849 324 K CB 1.813 34.276 32.500 -0.061 0.000 1.100 324 K HN 0.384 nan 8.250 nan 0.000 0.434 325 Q N 2.010 121.733 119.800 -0.129 0.000 2.096 325 Q HA -0.242 4.098 4.340 0.001 0.000 0.208 325 Q C 1.481 177.372 176.000 -0.182 0.000 0.993 325 Q CA 2.076 57.757 55.803 -0.204 0.000 0.862 325 Q CB 0.022 28.652 28.738 -0.179 0.000 0.915 325 Q HN 0.629 nan 8.270 nan 0.000 0.416 326 E N -0.150 119.988 120.200 -0.104 0.000 2.515 326 E HA -0.168 4.182 4.350 0.001 0.000 0.201 326 E C 0.484 177.022 176.600 -0.103 0.000 1.071 326 E CA 0.965 57.334 56.400 -0.053 0.000 0.880 326 E CB -0.036 29.660 29.700 -0.007 0.000 0.828 326 E HN 0.630 nan 8.360 nan 0.000 0.540 327 E N 0.274 120.331 120.200 -0.238 0.000 2.489 327 E HA 0.133 4.483 4.350 0.001 0.000 0.204 327 E C -0.142 176.043 176.600 -0.692 0.000 1.006 327 E CA -0.135 55.993 56.400 -0.454 0.000 0.936 327 E CB 1.142 30.693 29.700 -0.248 0.000 1.002 327 E HN -0.011 nan 8.360 nan 0.000 0.488 328 V N 2.316 121.981 119.914 -0.414 0.000 2.479 328 V HA 0.027 4.147 4.120 0.001 0.000 0.281 328 V C -0.364 175.621 176.094 -0.181 0.000 1.031 328 V CA 0.482 62.615 62.300 -0.279 0.000 1.038 328 V CB -0.039 31.651 31.823 -0.223 0.000 0.981 328 V HN 0.223 nan 8.190 nan 0.000 0.478 329 H N 2.659 121.716 119.070 -0.023 0.000 2.800 329 H HA 0.426 4.982 4.556 0.001 0.000 0.322 329 H C -0.644 174.697 175.328 0.021 0.000 0.979 329 H CA -0.981 55.067 56.048 -0.000 0.000 1.277 329 H CB 1.787 31.551 29.762 0.003 0.000 1.484 329 H HN 0.467 nan 8.280 nan 0.000 0.512 330 V N 5.120 125.129 119.914 0.157 0.000 2.455 330 V HA 0.216 4.337 4.120 0.001 0.000 0.273 330 V C 0.293 176.457 176.094 0.118 0.000 1.045 330 V CA 0.055 62.426 62.300 0.119 0.000 0.976 330 V CB 0.260 32.140 31.823 0.096 0.000 0.993 330 V HN 0.741 nan 8.190 nan 0.000 0.475 331 R N 3.623 124.213 120.500 0.151 0.000 2.575 331 R HA 0.663 5.004 4.340 0.001 0.000 0.293 331 R C 0.410 176.860 176.300 0.250 0.000 0.983 331 R CA -0.049 56.153 56.100 0.170 0.000 0.887 331 R CB 2.054 32.458 30.300 0.172 0.000 1.184 331 R HN 1.008 nan 8.270 nan 0.000 0.445 332 G N 1.425 110.301 108.800 0.127 0.000 2.645 332 G HA2 -0.298 3.663 3.960 0.001 0.000 0.239 332 G HA3 -0.298 3.663 3.960 0.001 0.000 0.239 332 G C -1.123 173.728 174.900 -0.082 0.000 1.331 332 G CA -0.129 44.929 45.100 -0.069 0.000 0.890 332 G HN 0.750 nan 8.290 nan 0.000 0.572 333 H N -0.748 118.057 119.070 -0.442 0.000 2.895 333 H HA 0.763 5.320 4.556 0.001 0.000 0.373 333 H C 0.004 175.182 175.328 -0.250 0.000 1.174 333 H CA 0.461 56.367 56.048 -0.237 0.000 1.144 333 H CB 1.795 31.446 29.762 -0.184 0.000 1.793 333 H HN 1.485 nan 8.280 nan 0.000 0.551 334 A N 2.778 125.467 122.820 -0.219 0.000 2.455 334 A HA 0.640 4.960 4.320 0.001 0.000 0.300 334 A C -1.611 175.982 177.584 0.014 0.000 1.040 334 A CA -0.546 51.484 52.037 -0.011 0.000 0.697 334 A CB 1.327 20.377 19.000 0.084 0.000 1.265 334 A HN 0.429 nan 8.150 nan 0.000 0.407 335 V N 1.558 121.540 119.914 0.113 0.000 2.604 335 V HA 0.589 4.710 4.120 0.001 0.000 0.305 335 V C -0.185 175.977 176.094 0.114 0.000 1.043 335 V CA -0.495 61.896 62.300 0.151 0.000 0.888 335 V CB 1.765 33.730 31.823 0.236 0.000 0.995 335 V HN 0.975 nan 8.190 nan 0.000 0.429 336 E N 2.743 122.997 120.200 0.090 0.000 2.210 336 E HA 0.549 4.899 4.350 0.001 0.000 0.266 336 E C -1.686 174.946 176.600 0.054 0.000 0.883 336 E CA -0.437 56.001 56.400 0.063 0.000 0.761 336 E CB 1.821 31.534 29.700 0.023 0.000 1.156 336 E HN 0.737 nan 8.360 nan 0.000 0.412 337 C N 4.487 123.825 119.300 0.065 0.000 2.319 337 C HA 0.476 4.937 4.460 0.001 0.000 0.323 337 C C 0.004 175.031 174.990 0.062 0.000 1.277 337 C CA -0.734 58.316 59.018 0.053 0.000 1.517 337 C CB 0.403 28.185 27.740 0.070 0.000 2.206 337 C HN 0.722 nan 8.230 nan 0.000 0.486 338 R N 2.998 123.520 120.500 0.037 0.000 2.438 338 R HA 0.466 4.806 4.340 0.001 0.000 0.287 338 R C -0.521 175.823 176.300 0.073 0.000 1.077 338 R CA -0.178 55.945 56.100 0.039 0.000 1.034 338 R CB 0.548 30.857 30.300 0.015 0.000 0.993 338 R HN 0.536 nan 8.270 nan 0.000 0.459 339 I N 3.358 123.983 120.570 0.093 0.000 2.330 339 I HA 0.256 4.426 4.170 0.001 0.000 0.289 339 I C -0.435 175.744 176.117 0.103 0.000 1.001 339 I CA -0.802 60.576 61.300 0.131 0.000 1.193 339 I CB 1.080 39.222 38.000 0.237 0.000 1.345 339 I HN 0.535 nan 8.210 nan 0.000 0.461 340 N N 3.680 122.438 118.700 0.097 0.000 2.335 340 N HA 0.639 5.380 4.740 0.001 0.000 0.304 340 N C -0.241 175.318 175.510 0.082 0.000 1.135 340 N CA -0.621 52.483 53.050 0.091 0.000 0.817 340 N CB 1.939 40.483 38.487 0.094 0.000 1.294 340 N HN 0.643 nan 8.380 nan 0.000 0.497 341 A N 1.164 124.031 122.820 0.078 0.000 2.798 341 A HA 0.426 4.746 4.320 0.001 0.000 0.316 341 A C -0.515 177.097 177.584 0.048 0.000 1.506 341 A CA -0.199 51.873 52.037 0.057 0.000 1.162 341 A CB -0.820 18.215 19.000 0.058 0.000 1.138 341 A HN 0.739 nan 8.150 nan 0.000 0.532 342 E N 0.871 121.092 120.200 0.035 0.000 2.375 342 E HA 0.339 4.689 4.350 0.001 0.000 0.280 342 E C -1.531 175.047 176.600 -0.037 0.000 0.972 342 E CA -0.956 55.459 56.400 0.025 0.000 0.782 342 E CB 0.730 30.481 29.700 0.085 0.000 1.229 342 E HN 0.213 nan 8.360 nan 0.000 0.439 343 D N 3.120 123.479 120.400 -0.068 0.000 2.401 343 D HA 0.075 4.715 4.640 0.001 0.000 0.254 343 D C -1.320 174.792 176.300 -0.315 0.000 1.192 343 D CA -2.075 51.844 54.000 -0.135 0.000 0.885 343 D CB 1.099 41.839 40.800 -0.101 0.000 1.147 343 D HN 0.210 nan 8.370 nan 0.000 0.478 344 P HA -0.078 nan 4.420 nan 0.000 0.251 344 P C -0.198 176.693 177.300 -0.682 0.000 1.251 344 P CA 0.533 63.298 63.100 -0.560 0.000 0.763 344 P CB 0.346 31.880 31.700 -0.277 0.000 1.067 345 N N -0.324 118.085 118.700 -0.485 0.000 2.830 345 N HA -0.024 4.716 4.740 0.001 0.000 0.232 345 N C 1.828 177.218 175.510 -0.199 0.000 1.062 345 N CA 1.458 54.331 53.050 -0.295 0.000 1.204 345 N CB -1.006 37.394 38.487 -0.145 0.000 1.589 345 N HN 0.091 nan 8.380 nan 0.000 0.604 346 T N -1.009 113.492 114.554 -0.087 0.000 2.897 346 T HA -0.079 4.272 4.350 0.001 0.000 0.271 346 T C 0.775 175.568 174.700 0.155 0.000 1.084 346 T CA 0.779 62.899 62.100 0.034 0.000 1.123 346 T CB -0.610 68.269 68.868 0.019 0.000 0.865 346 T HN 0.369 nan 8.240 nan 0.000 0.496 347 F N -1.244 118.704 119.950 -0.003 0.000 2.953 347 F HA -0.136 4.392 4.527 0.001 0.000 0.292 347 F C 0.084 175.884 175.800 -0.000 0.000 0.747 347 F CA -0.387 57.612 58.000 -0.001 0.000 1.222 347 F CB -1.810 37.188 39.000 -0.002 0.000 1.457 347 F HN 0.224 nan 8.300 nan 0.000 0.383 348 L N 1.191 122.481 121.223 0.111 0.000 2.395 348 L HA 0.390 4.730 4.340 0.001 0.000 0.269 348 L C -1.579 175.319 176.870 0.047 0.000 1.133 348 L CA -1.540 53.342 54.840 0.070 0.000 0.812 348 L CB -0.124 41.955 42.059 0.034 0.000 1.125 348 L HN -0.318 nan 8.230 nan 0.000 0.452 349 P HA -0.015 nan 4.420 nan 0.000 0.267 349 P C -0.633 176.670 177.300 0.006 0.000 1.201 349 P CA 0.124 63.240 63.100 0.027 0.000 0.775 349 P CB 0.507 32.214 31.700 0.011 0.000 0.854 350 S N 1.807 117.511 115.700 0.006 0.000 2.204 350 S HA 0.322 4.792 4.470 0.001 0.000 0.178 350 S C -2.533 172.059 174.600 -0.013 0.000 1.493 350 S CA -1.533 56.662 58.200 -0.008 0.000 1.266 350 S CB -0.317 62.879 63.200 -0.007 0.000 1.232 350 S HN 0.226 nan 8.310 nan 0.000 0.406 351 P HA 0.607 nan 4.420 nan 0.000 0.274 351 P C 0.350 177.614 177.300 -0.060 0.000 1.231 351 P CA 0.359 63.433 63.100 -0.042 0.000 0.790 351 P CB 1.219 32.879 31.700 -0.066 0.000 0.951 352 G N 0.504 109.254 108.800 -0.083 0.000 2.359 352 G HA2 0.079 4.039 3.960 0.001 0.000 0.293 352 G HA3 0.079 4.039 3.960 0.001 0.000 0.293 352 G C -1.617 173.211 174.900 -0.120 0.000 1.300 352 G CA -0.865 44.182 45.100 -0.088 0.000 0.888 352 G HN 0.611 nan 8.290 nan 0.000 0.541 353 K N 0.284 120.628 120.400 -0.094 0.000 2.339 353 K HA 0.488 4.808 4.320 0.001 0.000 0.286 353 K C 0.190 176.756 176.600 -0.057 0.000 1.050 353 K CA -0.423 55.807 56.287 -0.095 0.000 0.956 353 K CB 0.253 32.720 32.500 -0.055 0.000 0.990 353 K HN 0.334 nan 8.250 nan 0.000 0.475 354 I N 5.483 126.016 120.570 -0.061 0.000 2.322 354 I HA -0.035 4.135 4.170 0.001 0.000 0.292 354 I C 1.660 177.799 176.117 0.037 0.000 1.060 354 I CA -0.256 61.041 61.300 -0.004 0.000 1.309 354 I CB 1.167 39.161 38.000 -0.009 0.000 1.415 354 I HN 0.863 nan 8.210 nan 0.000 0.492 355 T N 3.368 117.950 114.554 0.047 0.000 2.770 355 T HA -0.041 4.309 4.350 0.001 0.000 0.258 355 T C 1.051 175.806 174.700 0.092 0.000 1.039 355 T CA 0.522 62.657 62.100 0.059 0.000 1.143 355 T CB 0.146 69.038 68.868 0.039 0.000 0.866 355 T HN 0.499 nan 8.240 nan 0.000 0.428 356 R N -0.074 120.489 120.500 0.106 0.000 2.534 356 R HA 0.618 4.958 4.340 0.001 0.000 0.301 356 R C -2.108 174.322 176.300 0.217 0.000 0.961 356 R CA -1.072 55.105 56.100 0.129 0.000 0.871 356 R CB 1.471 31.814 30.300 0.072 0.000 1.170 356 R HN 0.417 nan 8.270 nan 0.000 0.446 357 F N 3.594 123.582 119.950 0.064 0.000 2.557 357 F HA 0.382 4.909 4.527 0.001 0.000 0.316 357 F C -1.555 174.294 175.800 0.082 0.000 1.141 357 F CA -0.728 57.308 58.000 0.059 0.000 0.922 357 F CB 1.552 40.596 39.000 0.072 0.000 1.194 357 F HN 0.692 nan 8.300 nan 0.000 0.443 358 H N 4.651 123.197 119.070 -0.872 0.000 2.924 358 H HA 0.697 5.254 4.556 0.001 0.000 0.333 358 H C -1.315 173.390 175.328 -1.038 0.000 0.979 358 H CA -0.321 55.221 56.048 -0.845 0.000 1.326 358 H CB 1.602 31.130 29.762 -0.389 0.000 1.600 358 H HN 0.886 nan 8.280 nan 0.000 0.520 359 A N 6.252 128.163 122.820 -1.514 0.000 2.340 359 A HA 0.475 4.796 4.320 0.001 0.000 0.268 359 A C -2.298 174.779 177.584 -0.844 0.000 1.100 359 A CA -1.411 49.920 52.037 -1.176 0.000 0.803 359 A CB -0.013 18.413 19.000 -0.956 0.000 1.043 359 A HN 0.657 nan 8.150 nan 0.000 0.488 360 P HA 0.442 nan 4.420 nan 0.000 0.274 360 P C 0.086 177.258 177.300 -0.213 0.000 1.237 360 P CA 0.131 63.053 63.100 -0.297 0.000 0.793 360 P CB 1.461 33.048 31.700 -0.189 0.000 0.977 361 G N -1.258 107.472 108.800 -0.117 0.000 2.949 361 G HA2 0.743 4.704 3.960 0.001 0.000 0.285 361 G HA3 0.743 4.704 3.960 0.001 0.000 0.285 361 G C -0.517 174.374 174.900 -0.015 0.000 1.395 361 G CA -0.551 44.512 45.100 -0.062 0.000 0.901 361 G HN 0.825 nan 8.290 nan 0.000 0.519 362 G N -1.945 106.858 108.800 0.004 0.000 2.408 362 G HA2 0.475 4.435 3.960 0.001 0.000 0.682 362 G HA3 0.475 4.435 3.960 0.001 0.000 0.682 362 G C 0.006 174.927 174.900 0.036 0.000 1.303 362 G CA 0.048 45.160 45.100 0.019 0.000 0.966 362 G HN 2.057 nan 8.290 nan 0.000 0.560 363 A N -0.519 122.326 122.820 0.043 0.000 2.462 363 A HA 0.673 4.994 4.320 0.001 0.000 0.243 363 A C 1.969 179.606 177.584 0.087 0.000 1.076 363 A CA 1.871 53.943 52.037 0.058 0.000 0.773 363 A CB -0.039 18.996 19.000 0.059 0.000 1.010 363 A HN 2.910 nan 8.150 nan 0.000 0.493 364 G N 0.694 109.557 108.800 0.105 0.000 2.212 364 G HA2 -0.163 3.798 3.960 0.001 0.000 0.267 364 G HA3 -0.163 3.798 3.960 0.001 0.000 0.267 364 G C 0.123 175.109 174.900 0.143 0.000 1.002 364 G CA 0.486 45.684 45.100 0.164 0.000 0.729 364 G HN 1.428 nan 8.290 nan 0.000 0.517 365 V N 0.423 120.399 119.914 0.104 0.000 2.347 365 V HA 0.597 4.718 4.120 0.001 0.000 0.280 365 V C 0.563 176.728 176.094 0.118 0.000 1.021 365 V CA -0.610 61.754 62.300 0.106 0.000 0.847 365 V CB 1.512 33.380 31.823 0.075 0.000 0.990 365 V HN 0.457 nan 8.190 nan 0.000 0.444 366 R N 5.034 125.621 120.500 0.145 0.000 2.393 366 R HA 0.348 4.689 4.340 0.001 0.000 0.315 366 R C -1.282 175.167 176.300 0.248 0.000 0.952 366 R CA -0.576 55.615 56.100 0.152 0.000 0.842 366 R CB 1.315 31.669 30.300 0.090 0.000 1.163 366 R HN 0.835 nan 8.270 nan 0.000 0.450 367 W N 6.458 127.777 121.300 0.032 0.000 2.361 367 W HA 0.314 4.974 4.660 0.000 0.000 0.314 367 W C -1.216 175.332 176.519 0.049 0.000 1.041 367 W CA -0.616 56.758 57.345 0.049 0.000 1.241 367 W CB 1.617 31.115 29.460 0.064 0.000 1.279 367 W HN 0.518 nan 8.180 nan 0.000 0.436 368 E N 4.923 124.817 120.200 -0.510 0.000 2.256 368 E HA 0.248 4.598 4.350 0.001 0.000 0.243 368 E C -0.933 175.195 176.600 -0.787 0.000 0.925 368 E CA -0.107 56.002 56.400 -0.485 0.000 0.748 368 E CB 1.768 31.323 29.700 -0.242 0.000 1.206 368 E HN 0.324 nan 8.360 nan 0.000 0.428 369 S N 1.375 116.592 115.700 -0.805 0.000 2.565 369 S HA 0.251 4.721 4.470 0.001 0.000 0.269 369 S C 0.068 174.509 174.600 -0.266 0.000 1.153 369 S CA -0.630 57.189 58.200 -0.635 0.000 0.835 369 S CB 0.687 63.251 63.200 -1.061 0.000 1.122 369 S HN 0.595 nan 8.310 nan 0.000 0.462 370 H N 2.518 121.439 119.070 -0.247 0.000 2.622 370 H HA 0.334 4.891 4.556 0.001 0.000 0.269 370 H C 0.963 176.138 175.328 -0.257 0.000 0.977 370 H CA 0.022 55.954 56.048 -0.193 0.000 1.179 370 H CB -0.658 28.978 29.762 -0.211 0.000 1.458 370 H HN 0.650 nan 8.280 nan 0.000 0.531 371 I N 0.050 120.188 120.570 -0.720 0.000 2.779 371 I HA 0.350 4.520 4.170 0.001 0.000 0.285 371 I C -0.669 175.180 176.117 -0.446 0.000 1.134 371 I CA -0.829 60.052 61.300 -0.699 0.000 1.398 371 I CB 0.546 38.176 38.000 -0.616 0.000 1.404 371 I HN 0.037 nan 8.210 nan 0.000 0.587 372 Y N 2.712 122.840 120.300 -0.286 0.000 2.638 372 Y HA 0.744 5.295 4.550 0.001 0.000 0.335 372 Y C -0.461 175.501 175.900 0.104 0.000 1.155 372 Y CA -1.602 56.469 58.100 -0.047 0.000 1.046 372 Y CB 0.479 38.972 38.460 0.055 0.000 1.303 372 Y HN 0.827 nan 8.280 nan 0.000 0.460 373 A N 1.202 124.286 122.820 0.441 0.000 2.545 373 A HA 0.446 4.766 4.320 0.001 0.000 0.253 373 A C 1.378 179.145 177.584 0.304 0.000 1.074 373 A CA 1.107 53.337 52.037 0.322 0.000 0.760 373 A CB -1.346 17.835 19.000 0.300 0.000 1.005 373 A HN 2.236 nan 8.150 nan 0.000 0.506 374 G N 0.899 109.796 108.800 0.162 0.000 2.232 374 G HA2 -0.251 3.710 3.960 0.001 0.000 0.226 374 G HA3 -0.251 3.710 3.960 0.001 0.000 0.226 374 G C 0.187 175.121 174.900 0.056 0.000 0.996 374 G CA 0.314 45.502 45.100 0.146 0.000 0.626 374 G HN 1.552 nan 8.290 nan 0.000 0.509 375 Y N 2.671 122.771 120.300 -0.334 0.000 2.411 375 Y HA 0.550 5.100 4.550 0.001 0.000 0.333 375 Y C 0.335 176.089 175.900 -0.243 0.000 1.186 375 Y CA 0.752 58.521 58.100 -0.551 0.000 1.381 375 Y CB 1.045 38.761 38.460 -1.239 0.000 1.273 375 Y HN 0.042 nan 8.280 nan 0.000 0.546 376 T N 6.777 120.738 114.554 -0.988 0.000 2.756 376 T HA 0.302 4.653 4.350 0.001 0.000 0.290 376 T C -0.820 173.273 174.700 -1.012 0.000 0.985 376 T CA -0.605 61.057 62.100 -0.730 0.000 0.955 376 T CB 0.244 68.908 68.868 -0.340 0.000 0.930 376 T HN 0.483 nan 8.240 nan 0.000 0.451 377 V N 8.053 127.617 119.914 -0.584 0.000 2.403 377 V HA 0.141 4.261 4.120 0.001 0.000 0.265 377 V C -1.850 174.194 176.094 -0.083 0.000 1.034 377 V CA -1.512 60.650 62.300 -0.230 0.000 1.036 377 V CB -0.244 31.559 31.823 -0.035 0.000 1.032 377 V HN 0.678 nan 8.190 nan 0.000 0.478 378 P HA 0.124 nan 4.420 nan 0.000 0.270 378 P C -1.999 175.323 177.300 0.037 0.000 1.227 378 P CA -0.948 62.239 63.100 0.146 0.000 0.788 378 P CB 0.214 32.177 31.700 0.438 0.000 0.926 379 P HA 0.130 nan 4.420 nan 0.000 0.274 379 P C -0.166 176.870 177.300 -0.440 0.000 1.352 379 P CA 0.458 63.361 63.100 -0.328 0.000 0.947 379 P CB 0.249 31.693 31.700 -0.427 0.000 1.437 380 Y N -1.283 118.820 120.300 -0.330 0.000 2.457 380 Y HA 0.239 4.790 4.550 0.000 0.000 0.263 380 Y C 0.863 176.303 175.900 -0.767 0.000 1.164 380 Y CA -0.144 57.598 58.100 -0.596 0.000 1.274 380 Y CB -0.293 37.676 38.460 -0.819 0.000 1.097 380 Y HN -0.103 nan 8.280 nan 0.000 0.523 381 Y N -1.181 119.258 120.300 0.232 0.000 2.833 381 Y HA 0.336 4.887 4.550 0.001 0.000 0.319 381 Y C 0.140 176.106 175.900 0.110 0.000 1.254 381 Y CA -2.223 55.988 58.100 0.185 0.000 1.138 381 Y CB 0.135 38.721 38.460 0.210 0.000 1.352 381 Y HN -0.283 nan 8.280 nan 0.000 0.546 382 D N -0.139 120.425 120.400 0.275 0.000 2.364 382 D HA 0.008 4.648 4.640 0.001 0.000 0.236 382 D C 0.928 177.324 176.300 0.159 0.000 1.221 382 D CA 0.896 54.986 54.000 0.150 0.000 0.891 382 D CB 0.807 41.669 40.800 0.104 0.000 1.190 382 D HN 0.533 nan 8.370 nan 0.000 0.449 383 S N 1.419 117.188 115.700 0.115 0.000 2.535 383 S HA 0.026 4.496 4.470 0.001 0.000 0.214 383 S C 1.044 175.714 174.600 0.117 0.000 0.980 383 S CA -0.484 57.784 58.200 0.113 0.000 0.907 383 S CB -0.257 62.997 63.200 0.090 0.000 0.790 383 S HN 0.570 nan 8.310 nan 0.000 0.510 384 M N 3.171 122.840 119.600 0.114 0.000 2.251 384 M HA 0.281 4.762 4.480 0.001 0.000 0.346 384 M C 0.519 176.907 176.300 0.146 0.000 1.499 384 M CA 0.024 55.388 55.300 0.106 0.000 1.128 384 M CB 0.356 33.007 32.600 0.085 0.000 1.809 384 M HN 0.522 nan 8.290 nan 0.000 0.464 385 I N 1.650 122.289 120.570 0.115 0.000 4.082 385 I HA 0.613 4.784 4.170 0.001 0.000 0.337 385 I C 0.369 176.450 176.117 -0.059 0.000 1.352 385 I CA -0.274 61.083 61.300 0.094 0.000 1.097 385 I CB 0.240 38.257 38.000 0.027 0.000 1.048 385 I HN 0.681 nan 8.210 nan 0.000 0.393 386 G N 1.251 110.018 108.800 -0.054 0.000 2.338 386 G HA2 0.426 4.387 3.960 0.001 0.000 0.295 386 G HA3 0.426 4.387 3.960 0.001 0.000 0.295 386 G C -2.006 172.783 174.900 -0.185 0.000 1.461 386 G CA -0.932 44.004 45.100 -0.274 0.000 0.817 386 G HN 0.102 nan 8.290 nan 0.000 0.556 387 K N -0.218 119.985 120.400 -0.327 0.000 2.482 387 K HA 0.567 4.887 4.320 0.001 0.000 0.251 387 K C -1.600 174.984 176.600 -0.028 0.000 0.936 387 K CA -0.846 55.375 56.287 -0.111 0.000 0.791 387 K CB 2.925 35.369 32.500 -0.094 0.000 1.213 387 K HN 0.384 nan 8.250 nan 0.000 0.428 388 L N 4.260 125.592 121.223 0.181 0.000 2.305 388 L HA 0.533 4.874 4.340 0.001 0.000 0.284 388 L C -1.539 175.436 176.870 0.175 0.000 1.013 388 L CA -0.489 54.542 54.840 0.319 0.000 0.819 388 L CB 0.857 43.146 42.059 0.382 0.000 1.227 388 L HN 0.532 nan 8.230 nan 0.000 0.417 389 I N 4.901 125.563 120.570 0.154 0.000 2.436 389 I HA 0.450 4.621 4.170 0.001 0.000 0.289 389 I C -0.769 175.429 176.117 0.135 0.000 1.010 389 I CA -0.090 61.278 61.300 0.113 0.000 1.098 389 I CB 1.748 39.785 38.000 0.061 0.000 1.266 389 I HN 0.503 nan 8.210 nan 0.000 0.434 390 C N 5.404 124.787 119.300 0.138 0.000 2.369 390 C HA 0.521 4.981 4.460 0.001 0.000 0.322 390 C C -0.413 174.680 174.990 0.173 0.000 1.258 390 C CA -0.773 58.334 59.018 0.149 0.000 1.487 390 C CB 0.593 28.407 27.740 0.124 0.000 2.165 390 C HN 0.677 nan 8.230 nan 0.000 0.483 391 Y N 1.919 122.258 120.300 0.065 0.000 2.496 391 Y HA 0.810 5.360 4.550 0.001 0.000 0.331 391 Y C 0.282 176.221 175.900 0.065 0.000 1.140 391 Y CA 0.181 58.319 58.100 0.063 0.000 1.166 391 Y CB 1.504 39.992 38.460 0.045 0.000 1.249 391 Y HN 0.830 nan 8.280 nan 0.000 0.479 392 G N 2.800 111.158 108.800 -0.737 0.000 2.646 392 G HA2 0.289 4.249 3.960 0.001 0.000 0.291 392 G HA3 0.289 4.249 3.960 0.001 0.000 0.291 392 G C -0.752 173.833 174.900 -0.525 0.000 1.445 392 G CA -0.798 44.077 45.100 -0.375 0.000 0.814 392 G HN 0.544 nan 8.290 nan 0.000 0.495 393 E N -0.396 119.710 120.200 -0.157 0.000 2.171 393 E HA -0.045 4.306 4.350 0.001 0.000 0.197 393 E C 1.000 177.530 176.600 -0.116 0.000 0.997 393 E CA 2.034 58.389 56.400 -0.074 0.000 0.810 393 E CB -0.044 29.649 29.700 -0.010 0.000 0.738 393 E HN 0.650 nan 8.360 nan 0.000 0.467 394 N N -2.603 116.012 118.700 -0.143 0.000 3.039 394 N HA 0.191 4.931 4.740 0.001 0.000 0.257 394 N C 0.071 175.470 175.510 -0.185 0.000 1.497 394 N CA -0.813 52.156 53.050 -0.135 0.000 0.861 394 N CB 0.605 39.022 38.487 -0.117 0.000 1.479 394 N HN -0.168 nan 8.380 nan 0.000 0.547 395 R N -0.695 119.601 120.500 -0.340 0.000 2.091 395 R HA -0.121 4.219 4.340 0.001 0.000 0.238 395 R C 0.170 176.291 176.300 -0.299 0.000 1.136 395 R CA 1.996 57.745 56.100 -0.585 0.000 0.959 395 R CB -0.427 29.319 30.300 -0.924 0.000 0.856 395 R HN 0.611 nan 8.270 nan 0.000 0.437 396 D N -0.354 119.913 120.400 -0.222 0.000 2.117 396 D HA -0.128 4.512 4.640 0.001 0.000 0.197 396 D C 1.903 178.153 176.300 -0.085 0.000 0.987 396 D CA 1.144 55.059 54.000 -0.140 0.000 0.829 396 D CB -0.150 40.581 40.800 -0.115 0.000 0.961 396 D HN 0.088 nan 8.370 nan 0.000 0.460 397 V N 1.338 121.203 119.914 -0.083 0.000 2.307 397 V HA -0.226 3.894 4.120 0.001 0.000 0.245 397 V C 2.519 178.598 176.094 -0.026 0.000 1.045 397 V CA 1.756 64.028 62.300 -0.047 0.000 1.024 397 V CB -0.826 30.966 31.823 -0.052 0.000 0.651 397 V HN 0.181 nan 8.190 nan 0.000 0.449 398 A N 0.044 122.839 122.820 -0.042 0.000 1.873 398 A HA -0.239 4.081 4.320 0.001 0.000 0.218 398 A C 2.191 179.811 177.584 0.060 0.000 1.193 398 A CA 2.286 54.331 52.037 0.014 0.000 0.629 398 A CB -0.643 18.387 19.000 0.050 0.000 0.826 398 A HN 0.501 nan 8.150 nan 0.000 0.447 399 I N -0.420 120.180 120.570 0.049 0.000 2.226 399 I HA -0.291 3.879 4.170 0.001 0.000 0.245 399 I C 2.982 179.145 176.117 0.078 0.000 1.100 399 I CA 1.049 62.408 61.300 0.099 0.000 1.374 399 I CB -0.363 37.677 38.000 0.067 0.000 1.057 399 I HN 0.386 nan 8.210 nan 0.000 0.413 400 A N 0.748 123.591 122.820 0.037 0.000 1.902 400 A HA -0.213 4.108 4.320 0.001 0.000 0.217 400 A C 2.387 179.997 177.584 0.042 0.000 1.181 400 A CA 1.538 53.595 52.037 0.033 0.000 0.623 400 A CB -0.545 18.462 19.000 0.012 0.000 0.818 400 A HN 0.324 nan 8.150 nan 0.000 0.443 401 R N -1.938 118.589 120.500 0.046 0.000 2.090 401 R HA -0.067 4.273 4.340 0.001 0.000 0.228 401 R C 2.153 178.492 176.300 0.065 0.000 1.110 401 R CA 1.489 57.621 56.100 0.053 0.000 0.973 401 R CB -0.326 30.011 30.300 0.062 0.000 0.869 401 R HN 0.548 nan 8.270 nan 0.000 0.440 402 M N 1.348 120.997 119.600 0.082 0.000 2.159 402 M HA -0.140 4.340 4.480 0.001 0.000 0.263 402 M C 1.646 177.991 176.300 0.075 0.000 1.063 402 M CA 1.720 57.075 55.300 0.092 0.000 1.110 402 M CB -0.015 32.658 32.600 0.121 0.000 1.374 402 M HN -0.124 nan 8.290 nan 0.000 0.411 403 K N -0.241 120.201 120.400 0.070 0.000 2.026 403 K HA -0.121 4.200 4.320 0.001 0.000 0.208 403 K C 1.830 178.453 176.600 0.038 0.000 1.048 403 K CA 1.928 58.248 56.287 0.055 0.000 0.929 403 K CB -0.382 32.150 32.500 0.054 0.000 0.713 403 K HN 0.588 nan 8.250 nan 0.000 0.439 404 N N 0.461 119.182 118.700 0.035 0.000 2.084 404 N HA -0.177 4.563 4.740 0.001 0.000 0.190 404 N C 1.906 177.425 175.510 0.015 0.000 1.030 404 N CA 0.979 54.043 53.050 0.023 0.000 0.849 404 N CB -0.133 38.368 38.487 0.023 0.000 1.012 404 N HN 0.163 nan 8.380 nan 0.000 0.423 405 A N 1.547 124.380 122.820 0.021 0.000 1.877 405 A HA -0.091 4.229 4.320 0.001 0.000 0.216 405 A C 2.197 179.775 177.584 -0.010 0.000 1.186 405 A CA 1.017 53.056 52.037 0.003 0.000 0.620 405 A CB -0.797 18.221 19.000 0.029 0.000 0.822 405 A HN 0.171 nan 8.150 nan 0.000 0.443 406 L N -0.726 120.508 121.223 0.018 0.000 2.042 406 L HA -0.288 4.053 4.340 0.001 0.000 0.210 406 L C 2.896 179.767 176.870 0.001 0.000 1.076 406 L CA 1.735 56.586 54.840 0.018 0.000 0.749 406 L CB -0.608 41.473 42.059 0.037 0.000 0.893 406 L HN 0.515 nan 8.230 nan 0.000 0.432 407 Q N -0.441 119.362 119.800 0.004 0.000 2.167 407 Q HA -0.210 4.131 4.340 0.001 0.000 0.202 407 Q C 1.997 177.991 176.000 -0.010 0.000 0.970 407 Q CA 1.254 57.056 55.803 -0.001 0.000 0.855 407 Q CB -0.016 28.724 28.738 0.004 0.000 0.911 407 Q HN 0.572 nan 8.270 nan 0.000 0.438 408 E N 0.345 120.535 120.200 -0.017 0.000 2.158 408 E HA -0.071 4.279 4.350 0.001 0.000 0.191 408 E C 0.139 176.722 176.600 -0.028 0.000 0.982 408 E CA -0.157 56.237 56.400 -0.009 0.000 0.823 408 E CB 0.158 29.846 29.700 -0.019 0.000 0.766 408 E HN 0.078 nan 8.360 nan 0.000 0.468 409 L N 2.133 123.301 121.223 -0.092 0.000 2.534 409 L HA 0.073 4.413 4.340 0.001 0.000 0.271 409 L C -0.604 176.229 176.870 -0.063 0.000 1.178 409 L CA 0.876 55.624 54.840 -0.153 0.000 0.907 409 L CB 0.074 42.043 42.059 -0.150 0.000 1.164 409 L HN -0.057 nan 8.230 nan 0.000 0.482 410 I N 7.064 127.596 120.570 -0.063 0.000 2.418 410 I HA 0.376 4.546 4.170 0.001 0.000 0.287 410 I C -0.565 175.626 176.117 0.123 0.000 1.008 410 I CA -0.352 60.957 61.300 0.016 0.000 1.104 410 I CB 1.402 39.405 38.000 0.006 0.000 1.264 410 I HN 0.491 nan 8.210 nan 0.000 0.438 411 I N 5.458 126.112 120.570 0.140 0.000 2.542 411 I HA 0.281 4.452 4.170 0.001 0.000 0.278 411 I C -1.198 174.984 176.117 0.107 0.000 1.069 411 I CA -0.474 60.942 61.300 0.193 0.000 1.100 411 I CB 1.226 39.337 38.000 0.185 0.000 1.204 411 I HN 0.432 nan 8.210 nan 0.000 0.470 412 D N 3.282 123.741 120.400 0.099 0.000 2.326 412 D HA 0.670 5.311 4.640 0.001 0.000 0.251 412 D C 1.039 177.366 176.300 0.045 0.000 1.023 412 D CA 0.308 54.342 54.000 0.057 0.000 0.966 412 D CB 2.074 42.902 40.800 0.047 0.000 1.156 412 D HN 0.705 nan 8.370 nan 0.000 0.494 413 G N -0.348 108.466 108.800 0.024 0.000 2.279 413 G HA2 -0.191 3.769 3.960 0.001 0.000 0.223 413 G HA3 -0.191 3.769 3.960 0.001 0.000 0.223 413 G C 0.323 175.222 174.900 -0.002 0.000 1.015 413 G CA 0.425 45.531 45.100 0.010 0.000 0.621 413 G HN 0.659 nan 8.290 nan 0.000 0.506 414 I N -2.866 117.706 120.570 0.005 0.000 3.279 414 I HA 0.823 4.993 4.170 0.001 0.000 0.315 414 I C -0.672 175.447 176.117 0.004 0.000 1.187 414 I CA -1.632 59.667 61.300 -0.002 0.000 0.953 414 I CB 1.717 39.714 38.000 -0.005 0.000 1.279 414 I HN -0.071 nan 8.210 nan 0.000 0.465 415 K N 1.342 121.740 120.400 -0.003 0.000 2.110 415 K HA 0.652 4.972 4.320 0.001 0.000 0.263 415 K C -0.483 176.119 176.600 0.004 0.000 0.975 415 K CA -0.541 55.741 56.287 -0.009 0.000 0.895 415 K CB 1.919 34.401 32.500 -0.030 0.000 1.060 415 K HN 0.862 nan 8.250 nan 0.000 0.448 416 T N -2.108 112.449 114.554 0.005 0.000 2.838 416 T HA 0.219 4.570 4.350 0.001 0.000 0.292 416 T C 0.270 174.971 174.700 0.002 0.000 1.113 416 T CA -0.982 61.133 62.100 0.025 0.000 1.008 416 T CB 0.944 69.848 68.868 0.060 0.000 1.259 416 T HN 0.613 nan 8.240 nan 0.000 0.520 417 N N 0.305 119.021 118.700 0.026 0.000 2.268 417 N HA 0.054 4.795 4.740 0.001 0.000 0.204 417 N C 1.390 176.917 175.510 0.028 0.000 1.124 417 N CA -0.178 52.881 53.050 0.014 0.000 0.838 417 N CB -0.516 38.008 38.487 0.062 0.000 0.994 417 N HN 0.379 nan 8.380 nan 0.000 0.489 418 V N 1.186 121.122 119.914 0.038 0.000 2.282 418 V HA -0.286 3.834 4.120 0.001 0.000 0.249 418 V C 1.665 177.772 176.094 0.022 0.000 1.057 418 V CA 2.223 64.549 62.300 0.043 0.000 1.032 418 V CB -0.512 31.339 31.823 0.047 0.000 0.645 418 V HN 0.239 nan 8.190 nan 0.000 0.447 419 D N -0.233 120.169 120.400 0.004 0.000 2.133 419 D HA -0.172 4.469 4.640 0.001 0.000 0.195 419 D C 1.916 178.216 176.300 -0.000 0.000 0.997 419 D CA 1.273 55.270 54.000 -0.003 0.000 0.840 419 D CB -0.432 40.356 40.800 -0.021 0.000 0.947 419 D HN 0.360 nan 8.370 nan 0.000 0.452 420 L N 0.946 122.166 121.223 -0.003 0.000 1.994 420 L HA -0.163 4.178 4.340 0.001 0.000 0.208 420 L C 1.958 178.836 176.870 0.013 0.000 1.071 420 L CA 1.747 56.594 54.840 0.012 0.000 0.745 420 L CB -0.821 41.260 42.059 0.036 0.000 0.892 420 L HN -0.071 nan 8.230 nan 0.000 0.431 421 Q N -0.216 119.593 119.800 0.015 0.000 2.197 421 Q HA -0.198 4.142 4.340 0.001 0.000 0.207 421 Q C 2.351 178.350 176.000 -0.001 0.000 0.984 421 Q CA 2.100 57.902 55.803 -0.001 0.000 0.869 421 Q CB -0.378 28.374 28.738 0.024 0.000 0.906 421 Q HN 0.634 nan 8.270 nan 0.000 0.426 422 I N 0.092 120.672 120.570 0.016 0.000 2.252 422 I HA -0.252 3.919 4.170 0.001 0.000 0.245 422 I C 2.464 178.597 176.117 0.027 0.000 1.102 422 I CA 0.930 62.245 61.300 0.025 0.000 1.385 422 I CB -0.224 37.790 38.000 0.023 0.000 1.064 422 I HN 0.147 nan 8.210 nan 0.000 0.414 423 R N 0.667 121.180 120.500 0.021 0.000 2.096 423 R HA -0.107 4.233 4.340 0.001 0.000 0.235 423 R C 2.291 178.614 176.300 0.039 0.000 1.127 423 R CA 1.324 57.443 56.100 0.032 0.000 0.968 423 R CB -0.280 30.036 30.300 0.026 0.000 0.861 423 R HN 0.378 nan 8.270 nan 0.000 0.440 424 I N 0.401 120.969 120.570 -0.003 0.000 2.252 424 I HA -0.253 3.917 4.170 0.001 0.000 0.245 424 I C 2.196 178.289 176.117 -0.039 0.000 1.102 424 I CA 0.927 62.190 61.300 -0.062 0.000 1.385 424 I CB -0.176 37.698 38.000 -0.209 0.000 1.064 424 I HN 0.125 nan 8.210 nan 0.000 0.414 425 M N 0.148 119.749 119.600 0.003 0.000 2.213 425 M HA -0.154 4.327 4.480 0.001 0.000 0.263 425 M C 1.683 178.116 176.300 0.222 0.000 1.062 425 M CA 1.493 56.898 55.300 0.176 0.000 1.105 425 M CB -1.349 31.328 32.600 0.129 0.000 1.385 425 M HN 0.283 nan 8.290 nan 0.000 0.417 426 N N 0.470 119.254 118.700 0.140 0.000 2.446 426 N HA -0.055 4.685 4.740 0.001 0.000 0.179 426 N C 0.260 175.855 175.510 0.141 0.000 1.054 426 N CA 0.218 53.340 53.050 0.120 0.000 0.905 426 N CB -0.006 38.529 38.487 0.080 0.000 0.973 426 N HN 0.370 nan 8.380 nan 0.000 0.448 427 D N 1.794 122.304 120.400 0.183 0.000 2.472 427 D HA -0.060 4.580 4.640 0.001 0.000 0.248 427 D C 0.800 177.221 176.300 0.202 0.000 1.174 427 D CA 0.366 54.492 54.000 0.210 0.000 0.883 427 D CB 0.970 41.938 40.800 0.280 0.000 1.149 427 D HN 0.181 nan 8.370 nan 0.000 0.488 428 E N 2.900 123.188 120.200 0.145 0.000 2.085 428 E HA -0.223 4.127 4.350 0.001 0.000 0.194 428 E C 1.458 178.111 176.600 0.088 0.000 0.994 428 E CA 1.184 57.645 56.400 0.102 0.000 0.801 428 E CB 0.099 29.846 29.700 0.078 0.000 0.743 428 E HN 0.593 nan 8.360 nan 0.000 0.453 429 N N -0.073 118.673 118.700 0.077 0.000 2.120 429 N HA -0.160 4.580 4.740 0.001 0.000 0.188 429 N C 1.643 177.132 175.510 -0.036 0.000 1.024 429 N CA 0.997 54.011 53.050 -0.060 0.000 0.852 429 N CB -0.202 38.104 38.487 -0.302 0.000 1.003 429 N HN 0.109 nan 8.380 nan 0.000 0.424 430 F N 1.729 121.619 119.950 -0.099 0.000 2.186 430 F HA -0.133 4.394 4.527 0.001 0.000 0.299 430 F C 2.304 178.098 175.800 -0.010 0.000 1.090 430 F CA 1.173 59.140 58.000 -0.054 0.000 1.307 430 F CB 0.015 39.024 39.000 0.014 0.000 1.019 430 F HN 0.045 nan 8.300 nan 0.000 0.489 431 Q N -0.812 118.931 119.800 -0.095 0.000 2.170 431 Q HA -0.262 4.078 4.340 0.001 0.000 0.203 431 Q C 2.204 178.089 176.000 -0.192 0.000 0.976 431 Q CA 1.493 57.181 55.803 -0.192 0.000 0.858 431 Q CB -0.499 28.221 28.738 -0.030 0.000 0.907 431 Q HN 0.569 nan 8.270 nan 0.000 0.433 432 H N -0.134 118.831 119.070 -0.174 0.000 2.428 432 H HA 0.006 4.563 4.556 0.001 0.000 0.296 432 H C 0.522 175.737 175.328 -0.188 0.000 1.062 432 H CA 1.587 57.546 56.048 -0.148 0.000 1.350 432 H CB 0.154 29.856 29.762 -0.100 0.000 1.403 432 H HN 0.272 nan 8.280 nan 0.000 0.533 433 G N -1.563 107.174 108.800 -0.105 0.000 2.705 433 G HA2 0.093 4.054 3.960 0.001 0.000 0.686 433 G HA3 0.093 4.054 3.960 0.001 0.000 0.686 433 G C 0.708 175.634 174.900 0.043 0.000 1.285 433 G CA 0.305 45.316 45.100 -0.148 0.000 0.800 433 G HN 1.118 nan 8.290 nan 0.000 0.611 434 G N -1.003 107.813 108.800 0.026 0.000 2.141 434 G HA2 0.183 4.144 3.960 0.001 0.000 0.231 434 G HA3 0.183 4.144 3.960 0.001 0.000 0.231 434 G C 1.012 175.940 174.900 0.047 0.000 0.984 434 G CA 1.238 46.380 45.100 0.070 0.000 0.660 434 G HN 2.866 nan 8.290 nan 0.000 0.525 435 T N 0.028 114.578 114.554 -0.006 0.000 2.926 435 T HA 0.464 4.815 4.350 0.001 0.000 0.307 435 T C 0.787 175.515 174.700 0.046 0.000 1.059 435 T CA 0.344 62.396 62.100 -0.079 0.000 1.122 435 T CB 1.193 69.865 68.868 -0.327 0.000 0.972 435 T HN 0.923 nan 8.240 nan 0.000 0.545 436 N N 1.910 120.659 118.700 0.081 0.000 2.405 436 N HA 0.215 4.955 4.740 0.001 0.000 0.269 436 N C 1.366 176.913 175.510 0.062 0.000 1.249 436 N CA -0.801 52.300 53.050 0.085 0.000 0.974 436 N CB 0.042 38.584 38.487 0.091 0.000 1.204 436 N HN 0.818 nan 8.380 nan 0.000 0.565 437 I N -4.127 116.404 120.570 -0.065 0.000 2.850 437 I HA -0.104 4.067 4.170 0.001 0.000 0.266 437 I C 0.494 176.457 176.117 -0.256 0.000 1.257 437 I CA 1.159 62.354 61.300 -0.175 0.000 1.465 437 I CB -0.444 37.398 38.000 -0.263 0.000 1.091 437 I HN 0.420 nan 8.210 nan 0.000 0.467 438 H N -0.954 118.149 119.070 0.056 0.000 2.648 438 H HA 0.053 4.610 4.556 0.001 0.000 0.265 438 H C 1.567 176.926 175.328 0.052 0.000 0.961 438 H CA 0.396 56.457 56.048 0.022 0.000 1.185 438 H CB -0.177 29.596 29.762 0.018 0.000 1.449 438 H HN 0.403 nan 8.280 nan 0.000 0.523 439 Y N 1.876 122.225 120.300 0.081 0.000 2.053 439 Y HA -0.285 4.265 4.550 0.001 0.000 0.277 439 Y C 2.450 178.370 175.900 0.033 0.000 1.159 439 Y CA 1.331 59.467 58.100 0.060 0.000 1.125 439 Y CB -0.487 38.012 38.460 0.065 0.000 0.969 439 Y HN 0.085 nan 8.280 nan 0.000 0.492 440 L N 0.835 122.090 121.223 0.053 0.000 1.978 440 L HA -0.284 4.056 4.340 0.001 0.000 0.218 440 L C 2.210 179.002 176.870 -0.129 0.000 1.075 440 L CA 2.405 57.213 54.840 -0.053 0.000 0.767 440 L CB -1.069 40.987 42.059 -0.005 0.000 0.890 440 L HN 0.376 nan 8.230 nan 0.000 0.434 441 E N -0.952 119.189 120.200 -0.097 0.000 2.110 441 E HA -0.240 4.111 4.350 0.001 0.000 0.193 441 E C 2.159 178.695 176.600 -0.106 0.000 0.988 441 E CA 1.334 57.675 56.400 -0.099 0.000 0.804 441 E CB -0.082 29.567 29.700 -0.085 0.000 0.745 441 E HN 0.498 nan 8.360 nan 0.000 0.458 442 K N 0.855 121.181 120.400 -0.124 0.000 2.057 442 K HA -0.180 4.140 4.320 0.001 0.000 0.207 442 K C 2.207 178.686 176.600 -0.201 0.000 1.049 442 K CA 1.110 57.316 56.287 -0.136 0.000 0.931 442 K CB -0.104 32.325 32.500 -0.117 0.000 0.714 442 K HN -0.033 nan 8.250 nan 0.000 0.440 443 K N 1.460 121.646 120.400 -0.357 0.000 2.026 443 K HA -0.106 4.214 4.320 0.001 0.000 0.208 443 K C 1.827 178.337 176.600 -0.150 0.000 1.048 443 K CA 1.125 57.210 56.287 -0.337 0.000 0.929 443 K CB -0.056 32.141 32.500 -0.505 0.000 0.713 443 K HN 0.060 nan 8.250 nan 0.000 0.439 444 L N 0.407 121.565 121.223 -0.108 0.000 2.622 444 L HA 0.027 4.367 4.340 0.001 0.000 0.233 444 L C 1.320 178.181 176.870 -0.016 0.000 1.156 444 L CA 0.629 55.455 54.840 -0.025 0.000 0.866 444 L CB -0.484 41.589 42.059 0.024 0.000 0.980 444 L HN 0.685 nan 8.230 nan 0.000 0.448 445 G N 0.773 109.545 108.800 -0.046 0.000 2.205 445 G HA2 -0.353 3.607 3.960 0.001 0.000 0.269 445 G HA3 -0.353 3.607 3.960 0.001 0.000 0.269 445 G C 0.345 175.234 174.900 -0.019 0.000 0.977 445 G CA 0.381 45.463 45.100 -0.030 0.000 0.652 445 G HN 0.288 nan 8.290 nan 0.000 0.539 446 L N 1.629 122.839 121.223 -0.022 0.000 2.574 446 L HA 0.472 4.813 4.340 0.001 0.000 0.281 446 L C 0.684 177.529 176.870 -0.042 0.000 1.212 446 L CA 0.863 55.687 54.840 -0.027 0.000 1.082 446 L CB -0.524 41.498 42.059 -0.063 0.000 1.362 446 L HN 0.651 nan 8.230 nan 0.000 0.451 447 Q N 0.000 119.785 119.800 -0.026 0.000 2.315 447 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 447 Q CA 0.000 55.789 55.803 -0.023 0.000 1.022 447 Q CB 0.000 28.721 28.738 -0.029 0.000 1.108 447 Q HN 0.000 nan 8.270 nan 0.000 0.481