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 3k1l_1_B DATA FIRST_RESID 6 DATA SEQUENCE DVERLLCQKY PGLAAELQPS GACIIRGVLG SEDTWRRLKL YLPHHPALHG DATA SEQUENCE FQLYVQESLE YKLYTSANLK LQDDWLLEDF LDHLPKILPX XXXXXXXXXX DATA SEQUENCE XREGNIYYDI LALYKSNEYC LQVDEACSMI RFSEFTDFEQ HYLELKIPSL DATA SEQUENCE LLLDHSLPDC VSLGEMLTKS AGNLEEALNL FRKLLEDLRP FYDNFMDIDE DATA SEQUENCE LCHVLQPSPI SSKHKTRLFP LKDRVYLKLT IADPFACIAS MSLKIIGPTE DATA SEQUENCE EVARLRHVLS DGLSNWDSEM NIHKNLLRMF DLCYFPMPDW SDGPKLDEED DATA SEQUENCE NEELRCNICF AYRLDGGEVP LVSCDNAKCV LKCHAVCLEE WFKTLMDGKT DATA SEQUENCE FLEVSFGQCP FCKAKLSTSF AALLND 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.298 176.300 -0.003 0.000 2.045 6 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 6 D CB 0.000 40.781 40.800 -0.031 0.000 0.688 7 V N 0.625 120.536 119.914 -0.006 0.000 3.085 7 V HA 0.086 4.206 4.120 -0.000 0.000 0.245 7 V C 1.979 178.102 176.094 0.048 0.000 1.114 7 V CA 1.232 63.549 62.300 0.028 0.000 1.108 7 V CB 0.295 32.131 31.823 0.021 0.000 0.798 7 V HN 0.229 nan 8.190 nan 0.000 0.471 8 E N 0.729 120.946 120.200 0.029 0.000 2.333 8 E HA -0.212 4.138 4.350 -0.000 0.000 0.198 8 E C 2.189 178.806 176.600 0.028 0.000 1.007 8 E CA 0.736 57.156 56.400 0.033 0.000 0.845 8 E CB -0.115 29.596 29.700 0.018 0.000 0.766 8 E HN 0.557 nan 8.360 nan 0.000 0.507 9 R N 0.799 121.311 120.500 0.019 0.000 2.096 9 R HA -0.169 4.171 4.340 -0.000 0.000 0.229 9 R C 2.610 178.917 176.300 0.011 0.000 1.134 9 R CA 1.739 57.845 56.100 0.009 0.000 0.917 9 R CB -0.996 29.307 30.300 0.005 0.000 0.832 9 R HN 0.283 nan 8.270 nan 0.000 0.430 10 L N 0.987 122.226 121.223 0.028 0.000 2.129 10 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 10 L C 2.425 179.331 176.870 0.060 0.000 1.087 10 L CA 1.173 56.033 54.840 0.032 0.000 0.757 10 L CB -0.239 41.867 42.059 0.078 0.000 0.896 10 L HN 0.317 nan 8.230 nan 0.000 0.434 11 L N -0.604 120.686 121.223 0.111 0.000 2.093 11 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 11 L C 2.738 179.652 176.870 0.072 0.000 1.085 11 L CA 1.836 56.776 54.840 0.166 0.000 0.755 11 L CB -0.658 41.473 42.059 0.121 0.000 0.904 11 L HN 0.604 nan 8.230 nan 0.000 0.435 12 C N -0.745 118.568 119.300 0.021 0.000 2.453 12 C HA -0.169 4.291 4.460 -0.000 0.000 0.277 12 C C 2.741 177.702 174.990 -0.048 0.000 1.262 12 C CA 0.967 59.980 59.018 -0.008 0.000 1.718 12 C CB -0.664 27.071 27.740 -0.009 0.000 2.031 12 C HN 0.605 nan 8.230 nan 0.000 0.480 13 Q N 0.738 120.493 119.800 -0.074 0.000 2.016 13 Q HA -0.062 4.278 4.340 -0.000 0.000 0.200 13 Q C 2.357 178.242 176.000 -0.192 0.000 0.978 13 Q CA 1.863 57.600 55.803 -0.110 0.000 0.833 13 Q CB -0.121 28.556 28.738 -0.101 0.000 0.895 13 Q HN 0.679 nan 8.270 nan 0.000 0.427 14 K N -1.130 119.068 120.400 -0.336 0.000 2.308 14 K HA 0.092 4.412 4.320 -0.000 0.000 0.197 14 K C -0.300 175.803 176.600 -0.827 0.000 1.049 14 K CA 0.409 56.291 56.287 -0.675 0.000 0.991 14 K CB 0.696 32.582 32.500 -1.024 0.000 0.836 14 K HN 0.201 nan 8.250 nan 0.000 0.500 15 Y N 0.112 120.387 120.300 -0.041 0.000 2.592 15 Y HA 0.234 4.784 4.550 -0.000 0.000 0.354 15 Y C -2.289 173.590 175.900 -0.036 0.000 1.063 15 Y CA -2.097 55.977 58.100 -0.044 0.000 1.205 15 Y CB 1.257 39.686 38.460 -0.052 0.000 1.106 15 Y HN -0.040 nan 8.280 nan 0.000 0.649 16 P HA -0.068 nan 4.420 nan 0.000 0.226 16 P C 1.478 178.793 177.300 0.026 0.000 1.153 16 P CA 1.222 64.335 63.100 0.023 0.000 0.777 16 P CB 0.406 32.102 31.700 -0.008 0.000 0.794 17 G N -1.396 107.427 108.800 0.038 0.000 3.141 17 G HA2 0.239 4.199 3.960 -0.000 0.000 0.218 17 G HA3 0.239 4.199 3.960 -0.000 0.000 0.218 17 G C 0.143 175.054 174.900 0.018 0.000 1.170 17 G CA -0.032 45.075 45.100 0.012 0.000 0.769 17 G HN 0.192 nan 8.290 nan 0.000 0.546 18 L N 0.481 121.726 121.223 0.037 0.000 2.330 18 L HA 0.753 5.093 4.340 -0.000 0.000 0.271 18 L C -0.240 176.643 176.870 0.021 0.000 1.013 18 L CA -1.060 53.790 54.840 0.017 0.000 0.816 18 L CB 2.388 44.443 42.059 -0.008 0.000 1.287 18 L HN -0.008 nan 8.230 nan 0.000 0.435 19 A N 2.119 124.946 122.820 0.011 0.000 2.363 19 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 19 A C -0.363 177.227 177.584 0.010 0.000 1.237 19 A CA -0.474 51.570 52.037 0.012 0.000 0.773 19 A CB 1.135 20.139 19.000 0.007 0.000 1.153 19 A HN 0.680 nan 8.150 nan 0.000 0.473 20 A N 2.570 125.402 122.820 0.020 0.000 2.343 20 A HA 0.535 4.855 4.320 -0.000 0.000 0.305 20 A C 0.078 177.672 177.584 0.017 0.000 1.308 20 A CA -0.184 51.872 52.037 0.030 0.000 0.949 20 A CB -0.148 18.890 19.000 0.063 0.000 1.148 20 A HN 0.788 nan 8.150 nan 0.000 0.545 21 E N 3.133 123.334 120.200 0.001 0.000 2.081 21 E HA 0.434 4.784 4.350 -0.000 0.000 0.276 21 E C -0.714 175.879 176.600 -0.011 0.000 0.950 21 E CA -0.596 55.797 56.400 -0.012 0.000 0.776 21 E CB 0.681 30.364 29.700 -0.029 0.000 1.094 21 E HN 0.641 nan 8.360 nan 0.000 0.402 22 L N 3.455 124.675 121.223 -0.005 0.000 2.466 22 L HA 0.161 4.501 4.340 -0.000 0.000 0.257 22 L C -0.342 176.522 176.870 -0.010 0.000 1.189 22 L CA 0.321 55.160 54.840 -0.002 0.000 0.813 22 L CB 0.990 43.040 42.059 -0.014 0.000 1.118 22 L HN 0.578 nan 8.230 nan 0.000 0.471 23 Q N 2.963 122.761 119.800 -0.002 0.000 2.377 23 Q HA 0.365 4.705 4.340 -0.000 0.000 0.271 23 Q C -1.967 174.036 176.000 0.006 0.000 1.077 23 Q CA -1.807 53.995 55.803 -0.002 0.000 0.820 23 Q CB 1.251 29.988 28.738 -0.001 0.000 1.347 23 Q HN 0.443 nan 8.270 nan 0.000 0.444 24 P HA -0.116 nan 4.420 nan 0.000 0.226 24 P C 0.870 178.181 177.300 0.018 0.000 1.146 24 P CA 0.965 64.070 63.100 0.009 0.000 0.773 24 P CB 0.326 32.031 31.700 0.007 0.000 0.772 25 S N -0.177 115.536 115.700 0.022 0.000 2.859 25 S HA 0.300 4.770 4.470 -0.000 0.000 0.245 25 S C 1.489 176.115 174.600 0.043 0.000 1.008 25 S CA 0.261 58.480 58.200 0.032 0.000 1.089 25 S CB -1.940 61.280 63.200 0.033 0.000 0.798 25 S HN 0.341 nan 8.310 nan 0.000 0.477 26 G N 0.334 109.158 108.800 0.041 0.000 2.225 26 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.272 26 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.272 26 G C 0.337 175.280 174.900 0.072 0.000 0.996 26 G CA 0.526 45.658 45.100 0.055 0.000 0.710 26 G HN 1.133 nan 8.290 nan 0.000 0.522 27 A N -1.750 121.104 122.820 0.057 0.000 2.352 27 A HA 0.881 5.201 4.320 -0.000 0.000 0.299 27 A C 0.260 177.890 177.584 0.077 0.000 1.160 27 A CA 0.058 52.133 52.037 0.063 0.000 0.933 27 A CB 1.793 20.814 19.000 0.035 0.000 1.387 27 A HN 1.787 nan 8.150 nan 0.000 0.487 28 C N 0.186 119.536 119.300 0.083 0.000 2.752 28 C HA 0.642 5.102 4.460 -0.000 0.000 0.360 28 C C -1.476 173.508 174.990 -0.010 0.000 1.081 28 C CA -0.573 58.511 59.018 0.108 0.000 1.272 28 C CB -0.621 27.383 27.740 0.441 0.000 1.754 28 C HN 0.627 nan 8.230 nan 0.000 0.483 29 I N 6.699 127.217 120.570 -0.087 0.000 2.362 29 I HA 0.460 4.629 4.170 -0.000 0.000 0.289 29 I C -0.323 175.750 176.117 -0.074 0.000 0.994 29 I CA -0.423 60.765 61.300 -0.188 0.000 1.158 29 I CB 1.429 39.198 38.000 -0.385 0.000 1.315 29 I HN 0.517 nan 8.210 nan 0.000 0.451 30 I N 7.126 127.674 120.570 -0.037 0.000 2.354 30 I HA 0.391 4.561 4.170 -0.000 0.000 0.286 30 I C 0.112 176.232 176.117 0.005 0.000 1.007 30 I CA -0.606 60.685 61.300 -0.014 0.000 1.167 30 I CB 0.862 38.844 38.000 -0.030 0.000 1.320 30 I HN 0.618 nan 8.210 nan 0.000 0.458 31 R N 4.634 125.141 120.500 0.012 0.000 2.856 31 R HA 0.974 5.314 4.340 -0.000 0.000 0.258 31 R C 0.047 176.361 176.300 0.023 0.000 1.066 31 R CA -0.818 55.308 56.100 0.042 0.000 1.045 31 R CB 1.862 32.199 30.300 0.061 0.000 1.178 31 R HN 0.709 nan 8.270 nan 0.000 0.499 32 G N -0.371 108.452 108.800 0.037 0.000 2.270 32 G HA2 0.079 4.038 3.960 -0.000 0.000 0.268 32 G HA3 0.079 4.038 3.960 -0.000 0.000 0.268 32 G C -1.789 173.125 174.900 0.025 0.000 1.312 32 G CA -0.254 44.859 45.100 0.022 0.000 1.050 32 G HN 0.719 nan 8.290 nan 0.000 0.474 33 V N 0.336 120.258 119.914 0.013 0.000 2.487 33 V HA 0.797 4.916 4.120 -0.000 0.000 0.298 33 V C -0.808 175.300 176.094 0.024 0.000 1.028 33 V CA -0.726 61.595 62.300 0.036 0.000 0.860 33 V CB 1.217 33.047 31.823 0.010 0.000 0.991 33 V HN 1.461 nan 8.190 nan 0.000 0.427 34 L N 6.743 127.979 121.223 0.022 0.000 2.317 34 L HA 1.027 5.367 4.340 -0.000 0.000 0.281 34 L C 0.196 177.112 176.870 0.077 0.000 1.024 34 L CA 0.419 55.255 54.840 -0.006 0.000 0.810 34 L CB 1.520 43.502 42.059 -0.127 0.000 1.240 34 L HN 0.814 nan 8.230 nan 0.000 0.427 35 G N 2.081 110.936 108.800 0.092 0.000 2.571 35 G HA2 0.626 4.586 3.960 -0.000 0.000 0.304 35 G HA3 0.626 4.586 3.960 -0.000 0.000 0.304 35 G C -1.309 173.641 174.900 0.083 0.000 1.314 35 G CA -0.007 45.171 45.100 0.129 0.000 0.975 35 G HN 0.882 nan 8.290 nan 0.000 0.485 36 S N -0.627 115.120 115.700 0.078 0.000 2.766 36 S HA 0.430 4.899 4.470 -0.000 0.000 0.307 36 S C 1.238 175.872 174.600 0.056 0.000 1.121 36 S CA 0.307 58.533 58.200 0.043 0.000 0.980 36 S CB 1.883 65.094 63.200 0.017 0.000 1.159 36 S HN 0.879 nan 8.310 nan 0.000 0.546 37 E N 0.340 120.560 120.200 0.034 0.000 2.153 37 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 37 E C 0.232 176.863 176.600 0.050 0.000 0.988 37 E CA 1.744 58.166 56.400 0.037 0.000 0.811 37 E CB -0.453 29.259 29.700 0.020 0.000 0.746 37 E HN 0.780 nan 8.360 nan 0.000 0.466 38 D N -0.621 119.802 120.400 0.039 0.000 2.571 38 D HA 0.209 4.848 4.640 -0.000 0.000 0.239 38 D C -0.349 175.957 176.300 0.010 0.000 1.267 38 D CA -0.357 53.662 54.000 0.031 0.000 0.823 38 D CB 0.959 41.766 40.800 0.012 0.000 1.056 38 D HN 0.056 nan 8.370 nan 0.000 0.494 39 T N -0.303 114.269 114.554 0.031 0.000 2.843 39 T HA 0.461 4.811 4.350 -0.000 0.000 0.337 39 T C -2.187 172.549 174.700 0.061 0.000 1.754 39 T CA -0.962 61.103 62.100 -0.057 0.000 1.052 39 T CB 0.770 69.562 68.868 -0.126 0.000 1.588 39 T HN 0.276 nan 8.240 nan 0.000 0.493 40 W N 2.062 123.352 121.300 -0.016 0.000 3.107 40 W HA 0.836 5.496 4.660 -0.000 0.000 0.331 40 W C -1.516 174.985 176.519 -0.029 0.000 1.204 40 W CA -1.099 56.232 57.345 -0.023 0.000 1.184 40 W CB 0.984 30.436 29.460 -0.014 0.000 1.421 40 W HN 0.723 nan 8.180 nan 0.000 0.544 41 R N 1.385 122.039 120.500 0.257 0.000 2.686 41 R HA 0.437 4.777 4.340 -0.000 0.000 0.283 41 R C -0.714 175.714 176.300 0.213 0.000 0.978 41 R CA -1.217 54.965 56.100 0.137 0.000 0.897 41 R CB 2.693 32.982 30.300 -0.018 0.000 1.192 41 R HN 0.314 nan 8.270 nan 0.000 0.457 42 R N 1.938 122.551 120.500 0.189 0.000 2.389 42 R HA 0.369 4.708 4.340 -0.000 0.000 0.295 42 R C -1.251 175.032 176.300 -0.029 0.000 1.075 42 R CA -0.123 56.047 56.100 0.118 0.000 1.005 42 R CB 0.351 30.742 30.300 0.152 0.000 0.987 42 R HN 0.392 nan 8.270 nan 0.000 0.452 43 L N 3.047 124.275 121.223 0.007 0.000 2.422 43 L HA 0.545 4.885 4.340 -0.000 0.000 0.264 43 L C -1.371 175.553 176.870 0.091 0.000 0.984 43 L CA -0.412 54.427 54.840 -0.001 0.000 0.819 43 L CB 2.008 44.053 42.059 -0.023 0.000 1.330 43 L HN 0.693 nan 8.230 nan 0.000 0.410 44 K N 4.001 124.508 120.400 0.177 0.000 2.637 44 K HA 0.557 4.877 4.320 -0.000 0.000 0.248 44 K C -2.061 174.754 176.600 0.358 0.000 0.971 44 K CA -0.612 55.846 56.287 0.286 0.000 0.858 44 K CB 1.445 34.210 32.500 0.441 0.000 1.170 44 K HN 0.495 nan 8.250 nan 0.000 0.443 45 L N 5.159 126.523 121.223 0.235 0.000 2.298 45 L HA 0.445 4.785 4.340 -0.000 0.000 0.284 45 L C -1.720 175.303 176.870 0.255 0.000 1.013 45 L CA -0.378 54.620 54.840 0.263 0.000 0.824 45 L CB 0.571 42.695 42.059 0.107 0.000 1.221 45 L HN 0.471 nan 8.230 nan 0.000 0.418 46 Y N 5.629 126.049 120.300 0.199 0.000 2.313 46 Y HA 0.510 5.059 4.550 -0.000 0.000 0.332 46 Y C -0.159 175.808 175.900 0.112 0.000 1.071 46 Y CA -0.211 57.974 58.100 0.141 0.000 1.169 46 Y CB 1.248 39.797 38.460 0.149 0.000 1.192 46 Y HN 0.447 nan 8.280 nan 0.000 0.487 47 L N 7.303 128.611 121.223 0.142 0.000 2.433 47 L HA 0.301 4.641 4.340 -0.000 0.000 0.256 47 L C -1.929 174.936 176.870 -0.008 0.000 1.063 47 L CA -1.642 53.234 54.840 0.060 0.000 0.922 47 L CB 1.577 43.600 42.059 -0.061 0.000 1.238 47 L HN 0.456 nan 8.230 nan 0.000 0.466 48 P HA -0.160 nan 4.420 nan 0.000 0.218 48 P C 0.159 177.204 177.300 -0.425 0.000 1.146 48 P CA 1.575 64.479 63.100 -0.327 0.000 0.820 48 P CB 0.075 31.424 31.700 -0.586 0.000 0.778 49 H N -4.302 114.756 119.070 -0.020 0.000 2.676 49 H HA 0.194 4.749 4.556 -0.000 0.000 0.238 49 H C -0.180 175.179 175.328 0.051 0.000 1.276 49 H CA -0.650 55.386 56.048 -0.021 0.000 0.983 49 H CB -0.896 28.777 29.762 -0.148 0.000 2.000 49 H HN 0.189 nan 8.280 nan 0.000 0.584 50 H N 2.493 121.608 119.070 0.075 0.000 3.195 50 H HA -0.055 4.501 4.556 -0.000 0.000 0.302 50 H C -1.348 174.027 175.328 0.077 0.000 0.950 50 H CA -1.177 54.912 56.048 0.069 0.000 1.398 50 H CB 1.024 30.815 29.762 0.049 0.000 1.377 50 H HN 0.400 nan 8.280 nan 0.000 0.572 51 P HA 0.155 nan 4.420 nan 0.000 0.261 51 P C -0.710 176.706 177.300 0.193 0.000 1.268 51 P CA -0.031 63.306 63.100 0.396 0.000 0.833 51 P CB 0.548 32.406 31.700 0.263 0.000 1.231 52 A N 0.274 123.184 122.820 0.149 0.000 2.401 52 A HA 0.282 4.602 4.320 -0.000 0.000 0.259 52 A C 1.116 178.719 177.584 0.032 0.000 1.103 52 A CA -0.281 51.822 52.037 0.110 0.000 0.789 52 A CB 0.035 19.114 19.000 0.131 0.000 1.035 52 A HN 0.053 nan 8.150 nan 0.000 0.491 53 L N 2.645 123.903 121.223 0.058 0.000 2.209 53 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 53 L C 1.476 178.411 176.870 0.108 0.000 1.094 53 L CA 0.116 54.973 54.840 0.029 0.000 0.790 53 L CB -0.688 41.332 42.059 -0.066 0.000 0.932 53 L HN 0.911 nan 8.230 nan 0.000 0.447 54 H N 0.399 119.572 119.070 0.172 0.000 2.998 54 H HA 0.010 4.565 4.556 -0.000 0.000 0.353 54 H C 0.991 176.459 175.328 0.234 0.000 1.099 54 H CA 0.647 56.819 56.048 0.206 0.000 1.393 54 H CB 0.586 30.431 29.762 0.139 0.000 1.343 54 H HN 0.250 nan 8.280 nan 0.000 0.609 55 G N 2.670 111.605 108.800 0.226 0.000 2.162 55 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 55 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 55 G C 0.220 175.111 174.900 -0.016 0.000 0.976 55 G CA 0.276 45.413 45.100 0.063 0.000 0.655 55 G HN 0.963 nan 8.290 nan 0.000 0.533 56 F N 0.627 120.574 119.950 -0.005 0.000 2.545 56 F HA 0.644 5.171 4.527 -0.000 0.000 0.348 56 F C 0.232 176.065 175.800 0.054 0.000 1.163 56 F CA -0.519 57.502 58.000 0.035 0.000 1.331 56 F CB 0.762 39.795 39.000 0.056 0.000 1.138 56 F HN 0.095 nan 8.300 nan 0.000 0.602 57 Q N 4.907 124.784 119.800 0.128 0.000 2.414 57 Q HA 0.334 4.674 4.340 -0.000 0.000 0.256 57 Q C -1.645 174.452 176.000 0.161 0.000 0.974 57 Q CA -0.677 55.094 55.803 -0.053 0.000 0.723 57 Q CB 2.002 30.710 28.738 -0.051 0.000 1.281 57 Q HN 0.862 nan 8.270 nan 0.000 0.470 58 L N 2.931 124.243 121.223 0.147 0.000 2.272 58 L HA 0.425 4.765 4.340 -0.000 0.000 0.289 58 L C -1.517 175.360 176.870 0.012 0.000 1.032 58 L CA -0.310 54.688 54.840 0.263 0.000 0.810 58 L CB 0.499 42.844 42.059 0.477 0.000 1.205 58 L HN 0.353 nan 8.230 nan 0.000 0.422 59 Y N 4.661 125.106 120.300 0.241 0.000 2.369 59 Y HA 0.555 5.105 4.550 -0.000 0.000 0.337 59 Y C -0.257 175.601 175.900 -0.070 0.000 0.961 59 Y CA -0.670 57.528 58.100 0.162 0.000 1.186 59 Y CB 1.537 40.202 38.460 0.341 0.000 1.139 59 Y HN 0.280 nan 8.280 nan 0.000 0.494 60 V N 4.140 124.086 119.914 0.053 0.000 2.417 60 V HA 0.239 4.359 4.120 -0.000 0.000 0.291 60 V C -0.368 175.587 176.094 -0.232 0.000 1.024 60 V CA -1.203 61.046 62.300 -0.085 0.000 0.861 60 V CB 1.604 33.493 31.823 0.109 0.000 0.985 60 V HN 0.712 nan 8.190 nan 0.000 0.436 61 Q N 2.466 122.024 119.800 -0.403 0.000 2.307 61 Q HA 0.220 4.560 4.340 -0.000 0.000 0.261 61 Q C 0.333 176.302 176.000 -0.053 0.000 1.051 61 Q CA -0.083 55.584 55.803 -0.227 0.000 0.911 61 Q CB 1.090 29.762 28.738 -0.109 0.000 1.227 61 Q HN 0.678 nan 8.270 nan 0.000 0.418 62 E N 2.742 122.945 120.200 0.005 0.000 2.170 62 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 62 E C 0.303 176.900 176.600 -0.006 0.000 0.981 62 E CA 1.512 57.915 56.400 0.006 0.000 0.830 62 E CB 0.512 30.229 29.700 0.027 0.000 0.775 62 E HN 0.911 nan 8.360 nan 0.000 0.470 63 S N -2.315 113.399 115.700 0.023 0.000 6.644 63 S HA 0.036 4.506 4.470 -0.000 0.000 0.093 63 S C 1.189 175.824 174.600 0.057 0.000 1.396 63 S CA -0.103 58.110 58.200 0.022 0.000 1.109 63 S CB -0.506 62.700 63.200 0.010 0.000 1.676 63 S HN 0.108 nan 8.310 nan 0.000 0.577 64 L N 2.016 123.273 121.223 0.056 0.000 2.162 64 L HA 0.267 4.607 4.340 -0.000 0.000 0.205 64 L C 0.327 177.257 176.870 0.100 0.000 1.086 64 L CA 1.555 56.433 54.840 0.064 0.000 0.778 64 L CB -0.189 41.893 42.059 0.038 0.000 0.928 64 L HN 0.671 nan 8.230 nan 0.000 0.446 65 E N -1.990 118.280 120.200 0.117 0.000 2.316 65 E HA 0.255 4.605 4.350 -0.000 0.000 0.258 65 E C -1.352 175.431 176.600 0.306 0.000 0.952 65 E CA -0.772 55.731 56.400 0.172 0.000 0.818 65 E CB 0.111 29.872 29.700 0.102 0.000 1.260 65 E HN -0.137 nan 8.360 nan 0.000 0.416 66 Y N 0.430 120.768 120.300 0.064 0.000 2.336 66 Y HA 0.302 4.852 4.550 -0.000 0.000 0.335 66 Y C 0.479 176.452 175.900 0.121 0.000 1.046 66 Y CA -0.661 57.514 58.100 0.126 0.000 1.198 66 Y CB 1.057 39.616 38.460 0.166 0.000 1.182 66 Y HN 0.460 nan 8.280 nan 0.000 0.502 67 K N 3.781 124.264 120.400 0.138 0.000 2.143 67 K HA 0.500 4.819 4.320 -0.000 0.000 0.272 67 K C -1.440 175.072 176.600 -0.146 0.000 1.001 67 K CA -0.819 55.448 56.287 -0.033 0.000 0.915 67 K CB 0.798 33.219 32.500 -0.131 0.000 1.047 67 K HN 0.572 nan 8.250 nan 0.000 0.458 68 L N 4.897 125.928 121.223 -0.319 0.000 2.307 68 L HA 0.387 4.727 4.340 -0.000 0.000 0.284 68 L C -1.862 174.666 176.870 -0.570 0.000 1.023 68 L CA -0.229 54.331 54.840 -0.468 0.000 0.810 68 L CB 0.760 42.589 42.059 -0.383 0.000 1.231 68 L HN 0.567 nan 8.230 nan 0.000 0.423 69 Y N 3.595 123.763 120.300 -0.221 0.000 2.326 69 Y HA 0.583 5.132 4.550 -0.000 0.000 0.331 69 Y C 0.545 176.295 175.900 -0.251 0.000 0.962 69 Y CA -0.442 57.604 58.100 -0.089 0.000 1.167 69 Y CB 2.067 40.593 38.460 0.111 0.000 1.148 69 Y HN 0.705 nan 8.280 nan 0.000 0.463 70 T N -0.263 114.176 114.554 -0.191 0.000 2.870 70 T HA 0.223 4.573 4.350 -0.000 0.000 0.277 70 T C 1.253 175.762 174.700 -0.318 0.000 1.000 70 T CA -0.001 61.790 62.100 -0.515 0.000 0.982 70 T CB 0.876 69.540 68.868 -0.339 0.000 1.249 70 T HN 0.675 nan 8.240 nan 0.000 0.589 71 S N 0.781 116.294 115.700 -0.312 0.000 2.400 71 S HA -0.090 4.380 4.470 -0.000 0.000 0.232 71 S C 2.297 176.911 174.600 0.023 0.000 1.025 71 S CA 1.255 59.464 58.200 0.016 0.000 0.993 71 S CB -1.017 62.206 63.200 0.038 0.000 0.808 71 S HN 0.825 nan 8.310 nan 0.000 0.478 72 A N 2.848 125.650 122.820 -0.029 0.000 1.877 72 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 72 A C 2.253 179.849 177.584 0.021 0.000 1.186 72 A CA 1.493 53.523 52.037 -0.012 0.000 0.620 72 A CB -0.888 18.090 19.000 -0.036 0.000 0.822 72 A HN 0.553 nan 8.150 nan 0.000 0.443 73 N N -1.016 117.703 118.700 0.032 0.000 2.120 73 N HA -0.076 4.663 4.740 -0.000 0.000 0.188 73 N C -0.030 175.601 175.510 0.201 0.000 1.024 73 N CA 1.142 54.255 53.050 0.105 0.000 0.852 73 N CB -0.133 38.427 38.487 0.123 0.000 1.003 73 N HN 0.411 nan 8.380 nan 0.000 0.424 74 L N 0.646 122.006 121.223 0.228 0.000 2.455 74 L HA 0.354 4.694 4.340 -0.000 0.000 0.264 74 L C -1.578 175.398 176.870 0.176 0.000 0.968 74 L CA -0.630 54.353 54.840 0.238 0.000 0.827 74 L CB 1.851 44.118 42.059 0.347 0.000 1.317 74 L HN -0.241 nan 8.230 nan 0.000 0.407 75 K N 6.277 126.726 120.400 0.081 0.000 2.367 75 K HA 0.514 4.834 4.320 -0.000 0.000 0.263 75 K C -0.675 175.862 176.600 -0.104 0.000 1.000 75 K CA -0.406 55.878 56.287 -0.005 0.000 0.891 75 K CB 1.562 34.043 32.500 -0.031 0.000 1.117 75 K HN 0.619 nan 8.250 nan 0.000 0.443 76 L N 1.164 122.273 121.223 -0.189 0.000 2.567 76 L HA 0.266 4.606 4.340 -0.000 0.000 0.238 76 L C 0.895 177.348 176.870 -0.694 0.000 1.168 76 L CA -0.934 53.663 54.840 -0.405 0.000 0.817 76 L CB 0.273 42.113 42.059 -0.366 0.000 1.409 76 L HN 0.316 nan 8.230 nan 0.000 0.502 77 Q N 0.103 119.118 119.800 -1.308 0.000 2.214 77 Q HA 0.125 4.464 4.340 -0.000 0.000 0.251 77 Q C -0.175 175.458 176.000 -0.612 0.000 0.936 77 Q CA -0.437 54.678 55.803 -1.147 0.000 0.894 77 Q CB 1.377 28.965 28.738 -1.917 0.000 1.252 77 Q HN 0.443 nan 8.270 nan 0.000 0.448 78 D N 0.520 120.691 120.400 -0.382 0.000 2.378 78 D HA -0.120 4.520 4.640 -0.000 0.000 0.222 78 D C 0.548 176.778 176.300 -0.117 0.000 0.980 78 D CA 0.933 54.815 54.000 -0.197 0.000 0.907 78 D CB 0.179 40.892 40.800 -0.145 0.000 0.899 78 D HN 0.502 nan 8.370 nan 0.000 0.527 79 D N -2.036 118.286 120.400 -0.130 0.000 2.474 79 D HA -0.059 4.581 4.640 -0.000 0.000 0.213 79 D C 0.165 176.565 176.300 0.166 0.000 1.120 79 D CA -0.482 53.527 54.000 0.014 0.000 0.836 79 D CB -0.614 40.198 40.800 0.021 0.000 1.019 79 D HN -0.027 nan 8.370 nan 0.000 0.507 80 W N 1.606 122.887 121.300 -0.032 0.000 2.193 80 W HA 0.321 4.981 4.660 -0.000 0.000 0.338 80 W C 0.838 177.365 176.519 0.013 0.000 1.310 80 W CA -0.879 56.458 57.345 -0.014 0.000 1.243 80 W CB 0.268 29.691 29.460 -0.061 0.000 1.165 80 W HN -0.118 nan 8.180 nan 0.000 0.566 81 L N 2.975 124.346 121.223 0.246 0.000 2.421 81 L HA 0.218 4.557 4.340 -0.000 0.000 0.267 81 L C 1.552 178.503 176.870 0.134 0.000 1.036 81 L CA -1.159 53.778 54.840 0.161 0.000 0.829 81 L CB 0.116 42.252 42.059 0.129 0.000 1.437 81 L HN 0.232 nan 8.230 nan 0.000 0.488 82 L N 0.673 121.964 121.223 0.114 0.000 1.990 82 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 82 L C 2.290 179.176 176.870 0.026 0.000 1.072 82 L CA 2.017 56.906 54.840 0.081 0.000 0.755 82 L CB -0.828 41.265 42.059 0.058 0.000 0.889 82 L HN 0.757 nan 8.230 nan 0.000 0.432 83 E N -0.689 119.538 120.200 0.046 0.000 2.021 83 E HA -0.294 4.056 4.350 -0.000 0.000 0.200 83 E C 1.914 178.478 176.600 -0.060 0.000 1.015 83 E CA 1.841 58.266 56.400 0.041 0.000 0.824 83 E CB -0.209 29.531 29.700 0.067 0.000 0.762 83 E HN 0.569 nan 8.360 nan 0.000 0.454 84 D N -0.166 120.166 120.400 -0.114 0.000 2.149 84 D HA -0.225 4.415 4.640 -0.000 0.000 0.194 84 D C 1.779 177.717 176.300 -0.605 0.000 1.001 84 D CA 1.310 55.087 54.000 -0.372 0.000 0.849 84 D CB -0.454 40.048 40.800 -0.498 0.000 0.939 84 D HN 0.317 nan 8.370 nan 0.000 0.449 85 F N 0.795 120.412 119.950 -0.556 0.000 2.234 85 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 85 F C 2.199 177.770 175.800 -0.382 0.000 1.087 85 F CA 0.447 58.148 58.000 -0.498 0.000 1.340 85 F CB 0.127 38.987 39.000 -0.233 0.000 1.031 85 F HN -0.108 nan 8.300 nan 0.000 0.500 86 L N 0.457 121.426 121.223 -0.425 0.000 2.068 86 L HA -0.176 4.164 4.340 -0.000 0.000 0.204 86 L C 1.838 178.495 176.870 -0.355 0.000 1.076 86 L CA 1.629 56.127 54.840 -0.569 0.000 0.753 86 L CB -0.830 40.777 42.059 -0.753 0.000 0.910 86 L HN 0.173 nan 8.230 nan 0.000 0.439 87 D N -2.537 117.762 120.400 -0.169 0.000 2.371 87 D HA -0.176 4.464 4.640 -0.000 0.000 0.221 87 D C 1.883 178.033 176.300 -0.249 0.000 0.986 87 D CA 0.870 54.807 54.000 -0.105 0.000 0.899 87 D CB -0.223 40.543 40.800 -0.056 0.000 0.902 87 D HN 0.318 nan 8.370 nan 0.000 0.530 88 H N -0.587 118.308 119.070 -0.292 0.000 2.553 88 H HA 0.158 4.714 4.556 -0.000 0.000 0.276 88 H C 1.780 177.020 175.328 -0.146 0.000 0.979 88 H CA 0.072 55.966 56.048 -0.257 0.000 1.268 88 H CB 0.270 29.675 29.762 -0.594 0.000 1.450 88 H HN 0.106 nan 8.280 nan 0.000 0.527 89 L N 2.155 123.312 121.223 -0.110 0.000 2.013 89 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 89 L C -0.887 175.928 176.870 -0.092 0.000 1.073 89 L CA 1.758 56.518 54.840 -0.133 0.000 0.753 89 L CB -1.285 40.526 42.059 -0.414 0.000 0.890 89 L HN 0.087 nan 8.230 nan 0.000 0.432 90 P HA -0.164 nan 4.420 nan 0.000 0.221 90 P C 1.100 178.382 177.300 -0.030 0.000 1.145 90 P CA 1.583 64.643 63.100 -0.066 0.000 0.795 90 P CB -0.019 31.651 31.700 -0.050 0.000 0.775 91 K N -1.395 119.008 120.400 0.004 0.000 2.361 91 K HA 0.195 4.514 4.320 -0.000 0.000 0.194 91 K C 1.567 178.203 176.600 0.059 0.000 1.032 91 K CA 0.452 56.761 56.287 0.037 0.000 1.048 91 K CB 0.130 32.669 32.500 0.066 0.000 0.842 91 K HN 0.205 nan 8.250 nan 0.000 0.526 92 I N 0.526 121.136 120.570 0.066 0.000 3.265 92 I HA 0.019 4.189 4.170 -0.000 0.000 0.282 92 I C 0.509 176.628 176.117 0.003 0.000 1.207 92 I CA -0.021 61.325 61.300 0.076 0.000 1.449 92 I CB 0.148 38.240 38.000 0.154 0.000 1.121 92 I HN -0.074 nan 8.210 nan 0.000 0.442 93 L N 3.501 124.687 121.223 -0.062 0.000 2.410 93 L HA 0.212 4.552 4.340 -0.000 0.000 0.273 93 L C -1.546 175.295 176.870 -0.049 0.000 1.144 93 L CA -1.598 53.158 54.840 -0.139 0.000 0.863 93 L CB -0.473 41.456 42.059 -0.216 0.000 1.140 93 L HN -0.055 nan 8.230 nan 0.000 0.463 108 E N 1.151 121.347 120.200 -0.008 0.000 2.240 108 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 108 E C 0.426 177.021 176.600 -0.008 0.000 1.385 108 E CA 1.077 57.474 56.400 -0.004 0.000 0.686 108 E CB -1.658 28.043 29.700 0.001 0.000 1.125 108 E HN 0.460 nan 8.360 nan 0.000 0.359 109 G N 0.852 109.643 108.800 -0.015 0.000 2.680 109 G HA2 0.068 4.027 3.960 -0.000 0.000 0.274 109 G HA3 0.068 4.027 3.960 -0.000 0.000 0.274 109 G C 0.240 175.136 174.900 -0.006 0.000 1.292 109 G CA 0.083 45.166 45.100 -0.029 0.000 1.007 109 G HN 0.362 nan 8.290 nan 0.000 0.578 110 N N -1.212 117.491 118.700 0.005 0.000 2.372 110 N HA 0.237 4.976 4.740 -0.000 0.000 0.291 110 N C 0.993 176.552 175.510 0.081 0.000 1.024 110 N CA -0.692 52.395 53.050 0.060 0.000 0.873 110 N CB 1.577 40.130 38.487 0.111 0.000 1.206 110 N HN 0.341 nan 8.380 nan 0.000 0.486 111 I N 3.477 124.019 120.570 -0.047 0.000 2.286 111 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 111 I C 0.839 176.873 176.117 -0.139 0.000 1.104 111 I CA 1.185 62.398 61.300 -0.146 0.000 1.397 111 I CB -0.008 37.802 38.000 -0.316 0.000 1.072 111 I HN 0.641 nan 8.210 nan 0.000 0.417 112 Y N -0.473 119.890 120.300 0.104 0.000 2.165 112 Y HA -0.366 4.184 4.550 -0.000 0.000 0.286 112 Y C 2.474 178.434 175.900 0.099 0.000 1.155 112 Y CA 2.363 60.513 58.100 0.083 0.000 1.164 112 Y CB -1.064 37.434 38.460 0.063 0.000 0.978 112 Y HN 0.275 nan 8.280 nan 0.000 0.513 113 Y N 1.312 121.706 120.300 0.157 0.000 2.165 113 Y HA -0.291 4.259 4.550 -0.000 0.000 0.286 113 Y C 1.865 177.814 175.900 0.082 0.000 1.155 113 Y CA 1.803 59.964 58.100 0.101 0.000 1.164 113 Y CB -0.345 38.163 38.460 0.080 0.000 0.978 113 Y HN 0.083 nan 8.280 nan 0.000 0.513 114 D N 0.343 120.907 120.400 0.274 0.000 2.144 114 D HA -0.177 4.463 4.640 -0.000 0.000 0.199 114 D C 2.204 178.563 176.300 0.099 0.000 0.984 114 D CA 1.679 55.794 54.000 0.192 0.000 0.834 114 D CB -0.280 40.614 40.800 0.157 0.000 0.955 114 D HN 0.483 nan 8.370 nan 0.000 0.465 115 I N 0.454 121.072 120.570 0.081 0.000 2.142 115 I HA -0.247 3.922 4.170 -0.000 0.000 0.240 115 I C 2.374 178.547 176.117 0.094 0.000 1.078 115 I CA 0.772 62.128 61.300 0.094 0.000 1.343 115 I CB -0.321 37.736 38.000 0.095 0.000 1.046 115 I HN -0.019 nan 8.210 nan 0.000 0.405 116 L N 0.766 121.994 121.223 0.009 0.000 2.129 116 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 116 L C 2.779 179.611 176.870 -0.064 0.000 1.087 116 L CA 1.340 56.145 54.840 -0.059 0.000 0.757 116 L CB -0.772 41.176 42.059 -0.184 0.000 0.896 116 L HN 0.303 nan 8.230 nan 0.000 0.434 117 A N -0.433 122.315 122.820 -0.119 0.000 2.015 117 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 117 A C 2.088 179.719 177.584 0.079 0.000 1.163 117 A CA 1.161 53.159 52.037 -0.065 0.000 0.646 117 A CB -0.280 18.703 19.000 -0.027 0.000 0.806 117 A HN 0.437 nan 8.150 nan 0.000 0.448 118 L N -2.726 118.584 121.223 0.146 0.000 2.664 118 L HA 0.111 4.450 4.340 -0.000 0.000 0.233 118 L C 2.080 179.097 176.870 0.244 0.000 1.113 118 L CA 0.119 55.108 54.840 0.249 0.000 0.896 118 L CB -0.272 41.978 42.059 0.319 0.000 1.163 118 L HN 0.499 nan 8.230 nan 0.000 0.497 119 Y N 1.893 122.226 120.300 0.054 0.000 2.128 119 Y HA -0.153 4.397 4.550 -0.000 0.000 0.284 119 Y C 1.026 176.918 175.900 -0.014 0.000 1.154 119 Y CA 1.402 59.509 58.100 0.011 0.000 1.149 119 Y CB 0.219 38.662 38.460 -0.027 0.000 0.976 119 Y HN -0.037 nan 8.280 nan 0.000 0.505 120 K N 0.841 121.314 120.400 0.122 0.000 2.227 120 K HA 0.394 4.714 4.320 -0.000 0.000 0.280 120 K C -0.825 175.702 176.600 -0.122 0.000 1.041 120 K CA -0.198 56.085 56.287 -0.006 0.000 0.905 120 K CB 1.482 34.021 32.500 0.065 0.000 1.068 120 K HN 0.063 nan 8.250 nan 0.000 0.470 121 S N 2.034 117.576 115.700 -0.264 0.000 2.578 121 S HA 0.175 4.645 4.470 -0.000 0.000 0.285 121 S C -0.662 173.710 174.600 -0.380 0.000 1.126 121 S CA -0.844 57.129 58.200 -0.378 0.000 0.878 121 S CB 0.668 63.412 63.200 -0.760 0.000 1.091 121 S HN 0.620 nan 8.310 nan 0.000 0.450 122 N N 2.265 120.819 118.700 -0.243 0.000 2.467 122 N HA 0.134 4.874 4.740 -0.000 0.000 0.184 122 N C 0.825 176.246 175.510 -0.148 0.000 1.106 122 N CA 0.451 53.405 53.050 -0.160 0.000 0.892 122 N CB 0.133 38.574 38.487 -0.078 0.000 0.969 122 N HN 0.717 nan 8.380 nan 0.000 0.454 123 E N -0.556 119.507 120.200 -0.229 0.000 2.472 123 E HA 0.055 4.405 4.350 -0.000 0.000 0.196 123 E C -0.671 175.966 176.600 0.062 0.000 1.033 123 E CA 0.123 56.508 56.400 -0.025 0.000 0.886 123 E CB 0.267 30.041 29.700 0.124 0.000 0.944 123 E HN 0.438 nan 8.360 nan 0.000 0.492 124 Y N -3.567 116.700 120.300 -0.055 0.000 2.583 124 Y HA 0.359 4.909 4.550 -0.000 0.000 0.330 124 Y C -1.150 174.632 175.900 -0.197 0.000 1.185 124 Y CA -1.790 56.190 58.100 -0.199 0.000 1.107 124 Y CB 0.246 38.475 38.460 -0.385 0.000 1.344 124 Y HN -0.273 nan 8.280 nan 0.000 0.463 125 C N 3.320 122.600 119.300 -0.033 0.000 2.388 125 C HA 0.724 5.184 4.460 -0.000 0.000 0.362 125 C C -0.356 174.558 174.990 -0.125 0.000 1.266 125 C CA -0.394 58.553 59.018 -0.118 0.000 2.028 125 C CB 0.355 28.017 27.740 -0.129 0.000 2.440 125 C HN 0.739 nan 8.230 nan 0.000 0.547 126 L N 5.290 126.343 121.223 -0.283 0.000 2.319 126 L HA 0.508 4.848 4.340 -0.000 0.000 0.281 126 L C -0.566 176.068 176.870 -0.394 0.000 1.005 126 L CA 0.254 54.813 54.840 -0.468 0.000 0.828 126 L CB 1.059 42.798 42.059 -0.533 0.000 1.227 126 L HN 0.736 nan 8.230 nan 0.000 0.415 127 Q N 4.042 123.681 119.800 -0.269 0.000 2.282 127 Q HA 0.702 5.042 4.340 -0.000 0.000 0.260 127 Q C -1.160 174.805 176.000 -0.058 0.000 0.964 127 Q CA -0.900 54.834 55.803 -0.115 0.000 0.880 127 Q CB 2.771 31.460 28.738 -0.082 0.000 1.286 127 Q HN 0.537 nan 8.270 nan 0.000 0.445 128 V N 1.739 121.672 119.914 0.032 0.000 2.384 128 V HA 0.185 4.305 4.120 -0.000 0.000 0.287 128 V C -0.377 175.738 176.094 0.036 0.000 1.020 128 V CA -0.827 61.499 62.300 0.044 0.000 0.850 128 V CB 1.575 33.452 31.823 0.089 0.000 0.987 128 V HN 0.742 nan 8.190 nan 0.000 0.436 129 D N 2.900 123.317 120.400 0.029 0.000 2.357 129 D HA 0.143 4.783 4.640 -0.000 0.000 0.242 129 D C 0.298 176.616 176.300 0.030 0.000 1.153 129 D CA -0.149 53.867 54.000 0.026 0.000 0.918 129 D CB 1.053 41.868 40.800 0.026 0.000 1.181 129 D HN 0.766 nan 8.370 nan 0.000 0.435 130 E N 1.748 121.961 120.200 0.022 0.000 2.437 130 E HA 0.234 4.584 4.350 -0.000 0.000 0.263 130 E C 0.299 176.913 176.600 0.023 0.000 1.030 130 E CA 0.560 56.970 56.400 0.017 0.000 0.934 130 E CB 0.262 29.969 29.700 0.010 0.000 0.943 130 E HN 0.594 nan 8.360 nan 0.000 0.444 131 A N 2.913 125.744 122.820 0.017 0.000 3.413 131 A HA -0.303 4.016 4.320 -0.000 0.000 0.268 131 A C 1.235 178.848 177.584 0.050 0.000 1.128 131 A CA 0.861 52.911 52.037 0.021 0.000 1.062 131 A CB -2.723 16.291 19.000 0.023 0.000 1.121 131 A HN 1.758 nan 8.150 nan 0.000 0.895 132 C N -0.422 118.915 119.300 0.062 0.000 3.899 132 C HA -0.130 4.330 4.460 -0.000 0.000 0.297 132 C C 1.701 176.766 174.990 0.125 0.000 1.371 132 C CA 1.414 60.498 59.018 0.109 0.000 2.088 132 C CB -2.756 25.091 27.740 0.179 0.000 1.346 132 C HN 2.004 nan 8.230 nan 0.000 0.658 133 S N 0.210 115.959 115.700 0.081 0.000 2.524 133 S HA 0.305 4.775 4.470 -0.000 0.000 0.216 133 S C 0.323 174.959 174.600 0.059 0.000 0.987 133 S CA 0.876 59.119 58.200 0.072 0.000 0.909 133 S CB 0.293 63.525 63.200 0.053 0.000 0.781 133 S HN 1.155 nan 8.310 nan 0.000 0.521 134 M N 1.286 120.918 119.600 0.054 0.000 2.562 134 M HA 0.516 4.996 4.480 -0.000 0.000 0.281 134 M C -2.350 173.970 176.300 0.033 0.000 1.195 134 M CA -0.873 54.453 55.300 0.043 0.000 0.888 134 M CB 2.054 34.679 32.600 0.041 0.000 1.731 134 M HN 0.270 nan 8.290 nan 0.000 0.493 135 I N 0.440 121.025 120.570 0.025 0.000 2.957 135 I HA 0.779 4.949 4.170 -0.000 0.000 0.310 135 I C -1.034 175.073 176.117 -0.016 0.000 1.063 135 I CA -0.896 60.391 61.300 -0.021 0.000 1.033 135 I CB 2.355 40.317 38.000 -0.064 0.000 1.230 135 I HN 0.891 nan 8.210 nan 0.000 0.447 136 R N 3.191 123.632 120.500 -0.098 0.000 2.510 136 R HA 0.490 4.830 4.340 -0.000 0.000 0.294 136 R C -2.090 174.120 176.300 -0.151 0.000 1.056 136 R CA -0.495 55.590 56.100 -0.024 0.000 0.918 136 R CB 1.338 31.651 30.300 0.023 0.000 1.187 136 R HN 0.632 nan 8.270 nan 0.000 0.437 137 F N 2.166 122.079 119.950 -0.061 0.000 2.375 137 F HA 0.448 4.975 4.527 -0.000 0.000 0.333 137 F C 0.681 176.426 175.800 -0.093 0.000 1.104 137 F CA 0.479 58.366 58.000 -0.190 0.000 1.149 137 F CB 1.787 40.633 39.000 -0.257 0.000 1.190 137 F HN 0.627 nan 8.300 nan 0.000 0.533 138 S N -0.337 115.289 115.700 -0.124 0.000 2.655 138 S HA 0.372 4.842 4.470 -0.000 0.000 0.266 138 S C -0.868 173.707 174.600 -0.043 0.000 1.149 138 S CA -1.202 57.033 58.200 0.058 0.000 0.818 138 S CB 1.639 64.902 63.200 0.104 0.000 1.130 138 S HN 0.552 nan 8.310 nan 0.000 0.476 139 E N -0.314 119.977 120.200 0.152 0.000 2.328 139 E HA -0.179 4.170 4.350 -0.000 0.000 0.233 139 E C -0.971 175.736 176.600 0.179 0.000 1.219 139 E CA 0.654 57.142 56.400 0.146 0.000 0.717 139 E CB -1.970 27.762 29.700 0.053 0.000 1.210 139 E HN 0.540 nan 8.360 nan 0.000 0.381 140 F N 0.496 120.637 119.950 0.319 0.000 2.572 140 F HA -0.019 4.508 4.527 -0.000 0.000 0.370 140 F C 1.862 177.843 175.800 0.302 0.000 1.103 140 F CA 0.564 58.780 58.000 0.358 0.000 1.286 140 F CB 0.396 39.637 39.000 0.402 0.000 1.105 140 F HN -0.281 nan 8.300 nan 0.000 0.583 141 T N 3.983 118.789 114.554 0.421 0.000 2.908 141 T HA 0.001 4.351 4.350 -0.000 0.000 0.301 141 T C 0.260 175.103 174.700 0.238 0.000 1.019 141 T CA 0.447 62.704 62.100 0.261 0.000 1.152 141 T CB 0.039 69.026 68.868 0.198 0.000 0.966 141 T HN 0.686 nan 8.240 nan 0.000 0.540 142 D N 1.046 121.471 120.400 0.041 0.000 2.946 142 D HA -0.172 4.468 4.640 -0.000 0.000 0.202 142 D C -0.057 175.863 176.300 -0.632 0.000 1.068 142 D CA 1.388 55.224 54.000 -0.273 0.000 1.011 142 D CB -1.211 39.379 40.800 -0.350 0.000 1.105 142 D HN 0.635 nan 8.370 nan 0.000 0.425 143 F N -0.610 119.449 119.950 0.182 0.000 2.538 143 F HA 0.263 4.789 4.527 -0.000 0.000 0.390 143 F C 1.057 177.045 175.800 0.314 0.000 1.448 143 F CA -0.547 57.594 58.000 0.234 0.000 1.115 143 F CB 0.547 39.649 39.000 0.171 0.000 1.268 143 F HN -0.306 nan 8.300 nan 0.000 0.515 144 E N 0.012 120.396 120.200 0.307 0.000 2.333 144 E HA -0.197 4.153 4.350 -0.000 0.000 0.200 144 E C 1.784 178.530 176.600 0.244 0.000 1.010 144 E CA 1.023 57.578 56.400 0.259 0.000 0.841 144 E CB -0.063 29.719 29.700 0.137 0.000 0.757 144 E HN 0.324 nan 8.360 nan 0.000 0.508 145 Q N -0.554 119.366 119.800 0.200 0.000 2.398 145 Q HA 0.054 4.394 4.340 -0.000 0.000 0.204 145 Q C 0.107 176.180 176.000 0.123 0.000 0.932 145 Q CA 0.622 56.469 55.803 0.074 0.000 0.916 145 Q CB 0.016 28.699 28.738 -0.092 0.000 1.024 145 Q HN 0.493 nan 8.270 nan 0.000 0.504 146 H N -0.306 118.973 119.070 0.348 0.000 2.508 146 H HA 0.370 4.925 4.556 -0.000 0.000 0.358 146 H C -0.605 175.122 175.328 0.665 0.000 1.212 146 H CA -0.300 55.974 56.048 0.376 0.000 1.356 146 H CB 0.633 30.489 29.762 0.158 0.000 1.525 146 H HN 0.004 nan 8.280 nan 0.000 0.578 147 Y N -0.527 120.098 120.300 0.543 0.000 2.677 147 Y HA 0.521 5.071 4.550 -0.000 0.000 0.334 147 Y C -2.285 173.733 175.900 0.196 0.000 1.196 147 Y CA -1.456 56.916 58.100 0.453 0.000 1.059 147 Y CB 1.034 39.642 38.460 0.247 0.000 1.315 147 Y HN 0.547 nan 8.280 nan 0.000 0.455 148 L N 1.688 123.007 121.223 0.159 0.000 2.464 148 L HA 0.620 4.960 4.340 -0.000 0.000 0.266 148 L C -1.650 175.281 176.870 0.102 0.000 0.965 148 L CA -0.587 54.133 54.840 -0.199 0.000 0.833 148 L CB 2.449 43.975 42.059 -0.888 0.000 1.296 148 L HN 0.838 nan 8.230 nan 0.000 0.405 149 E N 5.753 126.013 120.200 0.101 0.000 2.210 149 E HA 0.649 4.999 4.350 -0.000 0.000 0.266 149 E C -1.427 175.216 176.600 0.072 0.000 0.883 149 E CA -0.681 55.793 56.400 0.123 0.000 0.761 149 E CB 2.414 32.204 29.700 0.151 0.000 1.156 149 E HN 0.514 nan 8.360 nan 0.000 0.412 150 L N 1.847 123.116 121.223 0.076 0.000 2.370 150 L HA 0.502 4.842 4.340 -0.000 0.000 0.266 150 L C 0.016 176.914 176.870 0.047 0.000 1.002 150 L CA -1.093 53.777 54.840 0.050 0.000 0.818 150 L CB 1.849 43.939 42.059 0.052 0.000 1.325 150 L HN 0.252 nan 8.230 nan 0.000 0.418 151 K N 1.780 122.202 120.400 0.035 0.000 2.237 151 K HA 0.467 4.787 4.320 -0.000 0.000 0.270 151 K C -0.853 175.762 176.600 0.025 0.000 1.015 151 K CA -0.501 55.806 56.287 0.033 0.000 0.949 151 K CB 1.053 33.572 32.500 0.031 0.000 0.976 151 K HN 0.291 nan 8.250 nan 0.000 0.472 152 I N 4.627 125.214 120.570 0.029 0.000 2.433 152 I HA 0.192 4.361 4.170 -0.000 0.000 0.292 152 I C -1.588 174.546 176.117 0.029 0.000 1.001 152 I CA -2.396 58.911 61.300 0.011 0.000 1.119 152 I CB 1.400 39.414 38.000 0.024 0.000 1.289 152 I HN 0.531 nan 8.210 nan 0.000 0.438 153 P HA 0.130 nan 4.420 nan 0.000 0.267 153 P C 0.947 178.234 177.300 -0.021 0.000 1.289 153 P CA 0.133 63.201 63.100 -0.053 0.000 0.866 153 P CB 0.556 32.210 31.700 -0.077 0.000 1.309 154 S N 1.939 117.642 115.700 0.005 0.000 2.390 154 S HA -0.214 4.256 4.470 -0.000 0.000 0.234 154 S C 1.402 176.006 174.600 0.006 0.000 1.063 154 S CA 1.416 59.623 58.200 0.013 0.000 1.108 154 S CB -1.220 61.992 63.200 0.021 0.000 0.975 154 S HN 0.219 nan 8.310 nan 0.000 0.442 155 L N -0.573 120.653 121.223 0.004 0.000 4.351 155 L HA -0.141 4.199 4.340 -0.000 0.000 0.410 155 L C -0.324 176.549 176.870 0.004 0.000 1.150 155 L CA -0.273 54.570 54.840 0.005 0.000 0.961 155 L CB -1.517 40.541 42.059 -0.000 0.000 2.130 155 L HN 0.340 nan 8.230 nan 0.000 0.787 156 L N 1.092 122.321 121.223 0.010 0.000 2.367 156 L HA 0.173 4.513 4.340 -0.000 0.000 0.275 156 L C 0.510 177.383 176.870 0.005 0.000 1.129 156 L CA -0.410 54.435 54.840 0.008 0.000 0.839 156 L CB 1.018 43.086 42.059 0.015 0.000 1.133 156 L HN 0.082 nan 8.230 nan 0.000 0.453 157 L N 5.278 126.495 121.223 -0.009 0.000 2.500 157 L HA 0.133 4.473 4.340 -0.000 0.000 0.272 157 L C -0.027 176.853 176.870 0.018 0.000 1.149 157 L CA 0.802 55.630 54.840 -0.020 0.000 0.897 157 L CB 0.047 42.064 42.059 -0.070 0.000 1.178 157 L HN 0.478 nan 8.230 nan 0.000 0.473 158 L N 2.152 123.402 121.223 0.046 0.000 2.657 158 L HA 0.381 4.720 4.340 -0.000 0.000 0.152 158 L C 0.489 177.448 176.870 0.148 0.000 1.773 158 L CA -0.842 54.048 54.840 0.083 0.000 3.024 158 L CB -0.134 41.974 42.059 0.082 0.000 3.023 158 L HN 0.549 nan 8.230 nan 0.000 0.780 159 D N -0.902 119.606 120.400 0.180 0.000 2.363 159 D HA 0.252 4.892 4.640 -0.000 0.000 0.240 159 D C -0.809 175.681 176.300 0.317 0.000 1.236 159 D CA 0.383 54.537 54.000 0.257 0.000 0.927 159 D CB 0.478 41.442 40.800 0.273 0.000 1.150 159 D HN 0.557 nan 8.370 nan 0.000 0.458 160 H N -3.344 115.733 119.070 0.012 0.000 2.951 160 H HA 0.378 4.934 4.556 -0.000 0.000 0.292 160 H C -0.542 174.440 175.328 -0.577 0.000 1.412 160 H CA -0.572 55.266 56.048 -0.349 0.000 1.206 160 H CB -0.051 29.642 29.762 -0.115 0.000 1.862 160 H HN 0.232 nan 8.280 nan 0.000 0.502 161 S N 1.215 116.365 115.700 -0.916 0.000 2.401 161 S HA 0.477 4.947 4.470 -0.000 0.000 0.249 161 S C -0.163 174.346 174.600 -0.153 0.000 1.237 161 S CA -0.328 57.600 58.200 -0.454 0.000 1.000 161 S CB 0.011 63.125 63.200 -0.143 0.000 1.013 161 S HN 0.904 nan 8.310 nan 0.000 0.494 162 L N -1.237 120.077 121.223 0.152 0.000 0.616 162 L HA -0.074 4.266 4.340 -0.000 0.000 0.357 162 L C -2.881 174.028 176.870 0.065 0.000 1.004 162 L CA -0.819 54.130 54.840 0.183 0.000 1.223 162 L CB -1.405 40.779 42.059 0.209 0.000 0.132 162 L HN 0.443 nan 8.230 nan 0.000 0.117 163 P HA -0.031 nan 4.420 nan 0.000 0.263 163 P C 0.364 177.686 177.300 0.037 0.000 1.175 163 P CA 0.142 63.261 63.100 0.031 0.000 0.761 163 P CB 0.438 32.115 31.700 -0.038 0.000 0.794 164 D N 1.476 121.889 120.400 0.021 0.000 2.309 164 D HA -0.116 4.524 4.640 -0.000 0.000 0.212 164 D C 1.359 177.699 176.300 0.067 0.000 0.968 164 D CA 1.031 55.062 54.000 0.051 0.000 0.882 164 D CB -0.238 40.579 40.800 0.028 0.000 0.918 164 D HN 0.456 nan 8.370 nan 0.000 0.503 165 C N -0.607 118.719 119.300 0.044 0.000 2.522 165 C HA 0.195 4.655 4.460 -0.000 0.000 0.271 165 C C 1.129 176.141 174.990 0.038 0.000 1.425 165 C CA -0.770 58.267 59.018 0.031 0.000 1.751 165 C CB -1.134 26.615 27.740 0.014 0.000 1.775 165 C HN -0.175 nan 8.230 nan 0.000 0.557 166 V N 3.320 123.275 119.914 0.068 0.000 2.555 166 V HA 0.221 4.340 4.120 -0.000 0.000 0.286 166 V C 0.949 177.068 176.094 0.042 0.000 1.044 166 V CA 0.719 63.067 62.300 0.080 0.000 1.026 166 V CB 1.079 32.987 31.823 0.141 0.000 0.981 166 V HN 0.630 nan 8.190 nan 0.000 0.480 167 S N 4.568 120.262 115.700 -0.011 0.000 2.994 167 S HA 0.079 4.549 4.470 -0.000 0.000 0.247 167 S C 1.104 175.672 174.600 -0.054 0.000 1.323 167 S CA -0.406 57.775 58.200 -0.032 0.000 1.246 167 S CB -0.260 62.911 63.200 -0.049 0.000 0.994 167 S HN 0.650 nan 8.310 nan 0.000 0.484 168 L N 2.639 123.827 121.223 -0.059 0.000 2.013 168 L HA 0.014 4.354 4.340 -0.000 0.000 0.212 168 L C 2.223 179.030 176.870 -0.105 0.000 1.073 168 L CA 2.289 57.068 54.840 -0.101 0.000 0.753 168 L CB -1.387 40.549 42.059 -0.206 0.000 0.890 168 L HN 0.465 nan 8.230 nan 0.000 0.432 169 G N -1.014 107.722 108.800 -0.107 0.000 2.545 169 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.217 169 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.217 169 G C 1.464 176.336 174.900 -0.048 0.000 1.218 169 G CA 0.934 45.991 45.100 -0.073 0.000 0.787 169 G HN 0.590 nan 8.290 nan 0.000 0.571 170 E N -0.097 120.079 120.200 -0.040 0.000 2.070 170 E HA -0.204 4.146 4.350 -0.000 0.000 0.197 170 E C 2.633 179.209 176.600 -0.040 0.000 1.004 170 E CA 1.437 57.818 56.400 -0.032 0.000 0.805 170 E CB -0.217 29.463 29.700 -0.033 0.000 0.744 170 E HN 0.541 nan 8.360 nan 0.000 0.451 171 M N 0.172 119.738 119.600 -0.057 0.000 2.080 171 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 171 M C 2.473 178.744 176.300 -0.049 0.000 1.068 171 M CA 1.351 56.613 55.300 -0.063 0.000 1.109 171 M CB -0.394 32.157 32.600 -0.083 0.000 1.342 171 M HN 0.200 nan 8.290 nan 0.000 0.405 172 L N -0.021 121.174 121.223 -0.046 0.000 1.970 172 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 172 L C 2.831 179.686 176.870 -0.025 0.000 1.071 172 L CA 2.027 56.844 54.840 -0.037 0.000 0.751 172 L CB -1.321 40.712 42.059 -0.043 0.000 0.889 172 L HN 0.447 nan 8.230 nan 0.000 0.432 173 T N -0.696 113.847 114.554 -0.018 0.000 2.635 173 T HA -0.292 4.058 4.350 -0.000 0.000 0.267 173 T C 1.690 176.389 174.700 -0.001 0.000 1.040 173 T CA 1.892 63.990 62.100 -0.003 0.000 1.156 173 T CB -0.424 68.449 68.868 0.009 0.000 0.863 173 T HN 0.280 nan 8.240 nan 0.000 0.430 174 K N 1.648 122.044 120.400 -0.008 0.000 2.103 174 K HA 0.123 4.442 4.320 -0.000 0.000 0.204 174 K C 1.953 178.544 176.600 -0.015 0.000 1.052 174 K CA 1.510 57.792 56.287 -0.008 0.000 0.945 174 K CB -0.213 32.279 32.500 -0.013 0.000 0.722 174 K HN 0.319 nan 8.250 nan 0.000 0.443 175 S N -0.521 115.165 115.700 -0.023 0.000 2.559 175 S HA 0.420 4.890 4.470 -0.000 0.000 0.226 175 S C -0.091 174.496 174.600 -0.022 0.000 1.000 175 S CA -0.168 58.016 58.200 -0.027 0.000 0.948 175 S CB 1.051 64.227 63.200 -0.040 0.000 0.870 175 S HN 0.426 nan 8.310 nan 0.000 0.497 176 A N 1.051 123.859 122.820 -0.019 0.000 2.323 176 A HA 0.730 5.050 4.320 -0.000 0.000 0.305 176 A C 1.062 178.640 177.584 -0.009 0.000 1.275 176 A CA -0.443 51.583 52.037 -0.017 0.000 0.804 176 A CB 0.738 19.723 19.000 -0.024 0.000 1.152 176 A HN 0.247 nan 8.150 nan 0.000 0.487 177 G N 2.417 111.214 108.800 -0.005 0.000 2.404 177 G HA2 0.093 4.053 3.960 -0.000 0.000 0.213 177 G HA3 0.093 4.053 3.960 -0.000 0.000 0.213 177 G C 0.569 175.471 174.900 0.003 0.000 1.189 177 G CA 0.925 46.025 45.100 0.001 0.000 0.796 177 G HN 0.842 nan 8.290 nan 0.000 0.532 178 N N -1.289 117.415 118.700 0.007 0.000 2.619 178 N HA 0.414 5.153 4.740 -0.000 0.000 0.294 178 N C 0.706 176.225 175.510 0.015 0.000 1.279 178 N CA -0.856 52.202 53.050 0.014 0.000 0.867 178 N CB 1.034 39.536 38.487 0.026 0.000 1.329 178 N HN -0.059 nan 8.380 nan 0.000 0.557 179 L N -0.243 120.998 121.223 0.030 0.000 2.042 179 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 179 L C 2.056 178.945 176.870 0.031 0.000 1.076 179 L CA 1.940 56.807 54.840 0.045 0.000 0.749 179 L CB -0.940 41.170 42.059 0.086 0.000 0.893 179 L HN 0.905 nan 8.230 nan 0.000 0.432 180 E N -0.728 119.502 120.200 0.050 0.000 2.110 180 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 180 E C 2.003 178.601 176.600 -0.003 0.000 0.988 180 E CA 1.409 57.832 56.400 0.039 0.000 0.804 180 E CB -0.117 29.627 29.700 0.072 0.000 0.745 180 E HN 0.661 nan 8.360 nan 0.000 0.458 181 E N -0.092 120.108 120.200 0.000 0.000 2.106 181 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 181 E C 1.984 178.563 176.600 -0.036 0.000 0.984 181 E CA 0.735 57.128 56.400 -0.011 0.000 0.806 181 E CB -0.078 29.620 29.700 -0.005 0.000 0.750 181 E HN 0.369 nan 8.360 nan 0.000 0.458 182 A N 1.397 124.187 122.820 -0.050 0.000 1.858 182 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 182 A C 2.177 179.678 177.584 -0.138 0.000 1.190 182 A CA 1.216 53.205 52.037 -0.079 0.000 0.617 182 A CB -0.716 18.237 19.000 -0.079 0.000 0.827 182 A HN 0.261 nan 8.150 nan 0.000 0.443 183 L N 0.636 121.710 121.223 -0.248 0.000 2.013 183 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 183 L C 1.812 178.591 176.870 -0.152 0.000 1.073 183 L CA 2.547 57.138 54.840 -0.415 0.000 0.753 183 L CB -0.843 40.880 42.059 -0.558 0.000 0.890 183 L HN 0.390 nan 8.230 nan 0.000 0.432 184 N N -0.519 118.133 118.700 -0.080 0.000 2.216 184 N HA -0.137 4.603 4.740 -0.000 0.000 0.183 184 N C 1.839 177.328 175.510 -0.035 0.000 1.017 184 N CA 1.417 54.450 53.050 -0.028 0.000 0.861 184 N CB -0.533 37.951 38.487 -0.005 0.000 0.986 184 N HN 0.344 nan 8.380 nan 0.000 0.428 185 L N 0.599 121.801 121.223 -0.035 0.000 2.043 185 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 185 L C 2.002 178.837 176.870 -0.057 0.000 1.075 185 L CA 1.450 56.264 54.840 -0.043 0.000 0.752 185 L CB -1.011 41.027 42.059 -0.034 0.000 0.891 185 L HN 0.026 nan 8.230 nan 0.000 0.432 186 F N 0.425 120.253 119.950 -0.204 0.000 2.113 186 F HA -0.156 4.371 4.527 -0.000 0.000 0.297 186 F C 2.576 178.169 175.800 -0.345 0.000 1.103 186 F CA 1.683 59.518 58.000 -0.275 0.000 1.248 186 F CB -0.219 38.587 39.000 -0.324 0.000 0.999 186 F HN 0.014 nan 8.300 nan 0.000 0.475 187 R N 0.059 120.446 120.500 -0.189 0.000 2.152 187 R HA -0.168 4.172 4.340 -0.000 0.000 0.232 187 R C 2.113 178.248 176.300 -0.275 0.000 1.117 187 R CA 1.347 57.281 56.100 -0.277 0.000 0.981 187 R CB -0.358 29.922 30.300 -0.033 0.000 0.870 187 R HN 0.135 nan 8.270 nan 0.000 0.451 188 K N 1.637 121.926 120.400 -0.184 0.000 1.991 188 K HA -0.146 4.174 4.320 -0.000 0.000 0.212 188 K C 1.735 178.221 176.600 -0.191 0.000 1.049 188 K CA 1.677 57.880 56.287 -0.139 0.000 0.932 188 K CB -0.569 31.878 32.500 -0.089 0.000 0.717 188 K HN 0.111 nan 8.250 nan 0.000 0.441 189 L N 0.544 121.617 121.223 -0.249 0.000 2.081 189 L HA -0.196 4.143 4.340 -0.000 0.000 0.212 189 L C 2.546 179.169 176.870 -0.413 0.000 1.080 189 L CA 1.254 55.968 54.840 -0.210 0.000 0.754 189 L CB -0.610 41.310 42.059 -0.233 0.000 0.893 189 L HN 0.203 nan 8.230 nan 0.000 0.433 190 L N -0.544 120.249 121.223 -0.717 0.000 2.013 190 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 190 L C 2.886 179.350 176.870 -0.677 0.000 1.073 190 L CA 1.235 55.442 54.840 -1.055 0.000 0.753 190 L CB -0.502 40.628 42.059 -1.549 0.000 0.890 190 L HN 0.314 nan 8.230 nan 0.000 0.432 191 E N 0.031 120.032 120.200 -0.333 0.000 2.051 191 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 191 E C 1.815 178.412 176.600 -0.004 0.000 0.991 191 E CA 1.256 57.645 56.400 -0.020 0.000 0.799 191 E CB -0.346 29.364 29.700 0.015 0.000 0.748 191 E HN 0.447 nan 8.360 nan 0.000 0.449 192 D N 0.134 120.504 120.400 -0.051 0.000 2.228 192 D HA -0.147 4.493 4.640 -0.000 0.000 0.203 192 D C 1.518 177.746 176.300 -0.121 0.000 0.988 192 D CA 0.603 54.598 54.000 -0.007 0.000 0.864 192 D CB 0.005 40.891 40.800 0.144 0.000 0.928 192 D HN 0.071 nan 8.370 nan 0.000 0.469 193 L N 0.390 121.495 121.223 -0.197 0.000 2.592 193 L HA 0.114 4.453 4.340 -0.000 0.000 0.227 193 L C 2.068 179.013 176.870 0.124 0.000 1.127 193 L CA 0.472 55.186 54.840 -0.209 0.000 0.884 193 L CB -0.298 41.602 42.059 -0.264 0.000 1.065 193 L HN 0.051 nan 8.230 nan 0.000 0.457 194 R N -0.338 120.292 120.500 0.216 0.000 2.105 194 R HA -0.092 4.248 4.340 -0.000 0.000 0.239 194 R C -0.786 175.626 176.300 0.186 0.000 1.135 194 R CA 1.142 57.443 56.100 0.335 0.000 0.967 194 R CB -2.199 28.291 30.300 0.315 0.000 0.861 194 R HN 0.236 nan 8.270 nan 0.000 0.442 195 P HA -0.139 nan 4.420 nan 0.000 0.216 195 P C 1.150 178.442 177.300 -0.013 0.000 1.153 195 P CA 0.891 64.015 63.100 0.040 0.000 0.848 195 P CB -0.172 31.542 31.700 0.024 0.000 0.787 196 F N -0.614 119.204 119.950 -0.220 0.000 2.091 196 F HA -0.250 4.277 4.527 -0.000 0.000 0.299 196 F C 2.128 177.730 175.800 -0.331 0.000 1.103 196 F CA 1.656 59.422 58.000 -0.391 0.000 1.228 196 F CB -1.129 37.539 39.000 -0.553 0.000 0.984 196 F HN -0.121 nan 8.300 nan 0.000 0.477 197 Y N 0.280 120.543 120.300 -0.062 0.000 2.220 197 Y HA -0.188 4.362 4.550 -0.000 0.000 0.291 197 Y C 2.463 178.334 175.900 -0.048 0.000 1.129 197 Y CA 0.964 59.034 58.100 -0.050 0.000 1.161 197 Y CB -0.481 38.106 38.460 0.211 0.000 0.997 197 Y HN 0.015 nan 8.280 nan 0.000 0.522 198 D N -0.127 120.347 120.400 0.125 0.000 2.149 198 D HA -0.192 4.448 4.640 -0.000 0.000 0.198 198 D C 1.698 177.997 176.300 -0.002 0.000 0.990 198 D CA 1.013 55.049 54.000 0.059 0.000 0.839 198 D CB -0.397 40.432 40.800 0.049 0.000 0.948 198 D HN 0.301 nan 8.370 nan 0.000 0.460 199 N N -0.149 118.490 118.700 -0.102 0.000 2.166 199 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 199 N C 1.582 177.022 175.510 -0.116 0.000 1.019 199 N CA 0.561 53.521 53.050 -0.151 0.000 0.856 199 N CB -0.250 38.062 38.487 -0.292 0.000 0.993 199 N HN 0.135 nan 8.380 nan 0.000 0.426 200 F N 1.189 121.065 119.950 -0.124 0.000 2.407 200 F HA 0.113 4.640 4.527 -0.000 0.000 0.299 200 F C 2.299 178.052 175.800 -0.078 0.000 1.097 200 F CA 0.243 58.170 58.000 -0.121 0.000 1.422 200 F CB -0.459 38.421 39.000 -0.200 0.000 1.067 200 F HN -0.028 nan 8.300 nan 0.000 0.539 201 M N -0.056 119.614 119.600 0.116 0.000 2.110 201 M HA -0.295 4.185 4.480 -0.000 0.000 0.257 201 M C 1.734 178.022 176.300 -0.019 0.000 1.071 201 M CA 2.065 57.393 55.300 0.046 0.000 1.096 201 M CB -1.132 31.486 32.600 0.030 0.000 1.300 201 M HN 0.059 nan 8.290 nan 0.000 0.411 202 D N 0.116 120.487 120.400 -0.050 0.000 2.117 202 D HA -0.047 4.593 4.640 -0.000 0.000 0.198 202 D C 1.934 178.069 176.300 -0.275 0.000 0.982 202 D CA 0.999 54.888 54.000 -0.185 0.000 0.828 202 D CB -0.166 40.524 40.800 -0.184 0.000 0.967 202 D HN 0.302 nan 8.370 nan 0.000 0.464 203 I N 0.674 121.163 120.570 -0.136 0.000 2.315 203 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 203 I C 1.606 177.592 176.117 -0.218 0.000 1.117 203 I CA 1.045 62.221 61.300 -0.206 0.000 1.404 203 I CB 0.019 37.976 38.000 -0.072 0.000 1.071 203 I HN -0.076 nan 8.210 nan 0.000 0.419 204 D N 0.513 120.852 120.400 -0.102 0.000 2.144 204 D HA -0.168 4.472 4.640 -0.000 0.000 0.200 204 D C 2.080 178.330 176.300 -0.084 0.000 0.978 204 D CA 1.249 55.198 54.000 -0.085 0.000 0.833 204 D CB -0.055 40.721 40.800 -0.039 0.000 0.961 204 D HN 0.432 nan 8.370 nan 0.000 0.470 205 E N -0.573 119.569 120.200 -0.097 0.000 2.250 205 E HA 0.092 4.442 4.350 -0.000 0.000 0.192 205 E C 1.666 178.212 176.600 -0.090 0.000 0.986 205 E CA 0.286 56.639 56.400 -0.079 0.000 0.849 205 E CB 0.389 30.047 29.700 -0.071 0.000 0.797 205 E HN 0.233 nan 8.360 nan 0.000 0.482 206 L N -0.242 120.888 121.223 -0.154 0.000 2.731 206 L HA 0.249 4.589 4.340 -0.000 0.000 0.240 206 L C 0.238 177.104 176.870 -0.007 0.000 1.120 206 L CA -0.298 54.481 54.840 -0.100 0.000 0.913 206 L CB 0.824 42.740 42.059 -0.240 0.000 1.213 206 L HN 0.071 nan 8.230 nan 0.000 0.515 207 C N -1.177 118.041 119.300 -0.136 0.000 2.562 207 C HA 0.410 4.870 4.460 -0.000 0.000 0.332 207 C C 0.367 175.345 174.990 -0.021 0.000 1.201 207 C CA -0.760 58.146 59.018 -0.187 0.000 1.803 207 C CB 1.118 28.339 27.740 -0.865 0.000 2.328 207 C HN 0.239 nan 8.230 nan 0.000 0.500 208 H N 0.841 119.910 119.070 -0.003 0.000 2.914 208 H HA 0.443 4.999 4.556 -0.000 0.000 0.264 208 H C -0.541 174.844 175.328 0.094 0.000 1.433 208 H CA -0.133 55.942 56.048 0.045 0.000 1.342 208 H CB -0.199 29.611 29.762 0.080 0.000 1.582 208 H HN 0.413 nan 8.280 nan 0.000 0.525 209 V N 7.975 127.806 119.914 -0.139 0.000 2.415 209 V HA -0.034 4.086 4.120 -0.000 0.000 0.267 209 V C 1.438 177.389 176.094 -0.238 0.000 1.042 209 V CA 0.139 62.375 62.300 -0.107 0.000 1.000 209 V CB 0.395 32.171 31.823 -0.078 0.000 1.015 209 V HN 0.824 nan 8.190 nan 0.000 0.478 210 L N 3.454 124.557 121.223 -0.199 0.000 2.249 210 L HA 0.185 4.524 4.340 -0.000 0.000 0.207 210 L C 0.836 177.606 176.870 -0.166 0.000 1.090 210 L CA 0.880 55.595 54.840 -0.208 0.000 0.802 210 L CB -0.034 41.925 42.059 -0.166 0.000 0.947 210 L HN 0.623 nan 8.230 nan 0.000 0.453 211 Q N -1.017 118.687 119.800 -0.160 0.000 2.320 211 Q HA 0.353 4.693 4.340 -0.000 0.000 0.272 211 Q C -2.584 173.288 176.000 -0.212 0.000 1.023 211 Q CA -1.842 53.852 55.803 -0.182 0.000 0.855 211 Q CB 2.891 31.524 28.738 -0.174 0.000 1.367 211 Q HN -0.189 nan 8.270 nan 0.000 0.406 212 P HA -0.002 nan 4.420 nan 0.000 0.271 212 P C 0.188 177.345 177.300 -0.238 0.000 1.216 212 P CA 0.165 63.035 63.100 -0.383 0.000 0.776 212 P CB 1.147 32.315 31.700 -0.887 0.000 0.881 213 S N 3.155 118.754 115.700 -0.167 0.000 2.351 213 S HA -0.041 4.429 4.470 -0.000 0.000 0.220 213 S C -1.298 173.262 174.600 -0.066 0.000 1.035 213 S CA 1.160 59.300 58.200 -0.099 0.000 1.031 213 S CB -1.637 61.523 63.200 -0.067 0.000 0.928 213 S HN 0.470 nan 8.310 nan 0.000 0.433 214 P HA 0.457 nan 4.420 nan 0.000 0.298 214 P C -1.053 176.294 177.300 0.079 0.000 1.365 214 P CA -0.321 62.791 63.100 0.020 0.000 0.835 214 P CB 0.785 32.514 31.700 0.047 0.000 0.948 215 I N 2.327 122.933 120.570 0.060 0.000 2.496 215 I HA 0.246 4.416 4.170 -0.000 0.000 0.285 215 I C 0.933 177.180 176.117 0.217 0.000 1.080 215 I CA 0.579 61.974 61.300 0.159 0.000 1.404 215 I CB 0.717 38.728 38.000 0.019 0.000 1.403 215 I HN 0.419 nan 8.210 nan 0.000 0.539 216 S N 2.541 118.424 115.700 0.305 0.000 2.661 216 S HA 0.245 4.714 4.470 -0.000 0.000 0.285 216 S C 0.771 175.361 174.600 -0.017 0.000 1.138 216 S CA -0.131 58.063 58.200 -0.011 0.000 0.855 216 S CB 1.564 64.651 63.200 -0.188 0.000 1.136 216 S HN 0.665 nan 8.310 nan 0.000 0.484 217 S N 0.524 116.212 115.700 -0.020 0.000 2.493 217 S HA -0.091 4.379 4.470 -0.000 0.000 0.243 217 S C 1.144 175.903 174.600 0.265 0.000 0.991 217 S CA 0.948 59.199 58.200 0.085 0.000 0.957 217 S CB -0.581 62.491 63.200 -0.213 0.000 0.756 217 S HN 0.688 nan 8.310 nan 0.000 0.521 218 K N -0.169 120.235 120.400 0.006 0.000 2.276 218 K HA 0.106 4.425 4.320 -0.000 0.000 0.198 218 K C 0.002 176.616 176.600 0.023 0.000 1.052 218 K CA 0.074 56.343 56.287 -0.031 0.000 0.984 218 K CB -0.138 32.244 32.500 -0.197 0.000 0.836 218 K HN 0.536 nan 8.250 nan 0.000 0.490 219 H N 2.392 121.528 119.070 0.109 0.000 2.975 219 H HA 0.046 4.602 4.556 -0.000 0.000 0.303 219 H C 0.551 175.946 175.328 0.111 0.000 1.023 219 H CA 0.580 56.653 56.048 0.042 0.000 1.473 219 H CB 0.566 30.284 29.762 -0.073 0.000 1.498 219 H HN 0.023 nan 8.280 nan 0.000 0.549 220 K N 2.093 122.672 120.400 0.297 0.000 2.500 220 K HA 0.147 4.466 4.320 -0.000 0.000 0.206 220 K C 0.217 177.005 176.600 0.314 0.000 1.034 220 K CA 0.024 56.583 56.287 0.453 0.000 1.179 220 K CB 0.607 33.306 32.500 0.331 0.000 0.884 220 K HN 0.291 nan 8.250 nan 0.000 0.493 221 T N 0.636 115.201 114.554 0.019 0.000 2.865 221 T HA 0.514 4.864 4.350 -0.000 0.000 0.294 221 T C -1.384 173.196 174.700 -0.200 0.000 1.119 221 T CA -0.694 61.395 62.100 -0.018 0.000 1.007 221 T CB 2.027 70.881 68.868 -0.023 0.000 1.225 221 T HN 0.084 nan 8.240 nan 0.000 0.515 222 R N 1.123 121.591 120.500 -0.052 0.000 2.560 222 R HA 0.461 4.801 4.340 -0.000 0.000 0.267 222 R C -2.071 174.243 176.300 0.023 0.000 1.150 222 R CA -0.689 55.398 56.100 -0.021 0.000 0.997 222 R CB 1.376 31.701 30.300 0.041 0.000 1.250 222 R HN 0.369 nan 8.270 nan 0.000 0.433 223 L N 5.624 126.825 121.223 -0.037 0.000 2.305 223 L HA 0.684 5.024 4.340 -0.000 0.000 0.284 223 L C -1.469 175.390 176.870 -0.018 0.000 1.013 223 L CA -0.203 54.555 54.840 -0.137 0.000 0.819 223 L CB 0.856 42.818 42.059 -0.162 0.000 1.227 223 L HN 0.553 nan 8.230 nan 0.000 0.417 224 F N 3.341 123.256 119.950 -0.059 0.000 2.643 224 F HA 0.912 5.438 4.527 -0.000 0.000 0.314 224 F C -2.830 173.011 175.800 0.068 0.000 1.096 224 F CA -2.804 55.176 58.000 -0.033 0.000 0.953 224 F CB 0.646 39.578 39.000 -0.115 0.000 1.345 224 F HN 0.234 nan 8.300 nan 0.000 0.468 225 P HA 0.232 nan 4.420 nan 0.000 0.279 225 P C 0.070 177.495 177.300 0.208 0.000 1.239 225 P CA -0.306 62.912 63.100 0.197 0.000 0.789 225 P CB 1.670 33.501 31.700 0.218 0.000 0.933 226 L N 3.222 124.471 121.223 0.042 0.000 2.286 226 L HA 0.256 4.596 4.340 -0.000 0.000 0.203 226 L C 0.540 177.456 176.870 0.078 0.000 1.068 226 L CA 1.778 56.683 54.840 0.108 0.000 0.811 226 L CB -0.351 41.611 42.059 -0.161 0.000 0.989 226 L HN 0.450 nan 8.230 nan 0.000 0.467 227 K N -2.475 117.910 120.400 -0.025 0.000 2.544 227 K HA 0.295 4.614 4.320 -0.000 0.000 0.282 227 K C -1.253 175.300 176.600 -0.079 0.000 1.020 227 K CA -0.895 55.381 56.287 -0.019 0.000 0.830 227 K CB -0.146 32.338 32.500 -0.028 0.000 1.521 227 K HN -0.297 nan 8.250 nan 0.000 0.376 228 D N 0.644 121.015 120.400 -0.050 0.000 2.493 228 D HA 0.089 4.729 4.640 -0.000 0.000 0.240 228 D C 0.035 176.265 176.300 -0.117 0.000 1.142 228 D CA 1.231 55.192 54.000 -0.065 0.000 0.872 228 D CB 0.288 41.075 40.800 -0.022 0.000 1.173 228 D HN 0.654 nan 8.370 nan 0.000 0.467 229 R N 0.218 120.612 120.500 -0.178 0.000 3.922 229 R HA -0.167 4.173 4.340 -0.000 0.000 0.447 229 R C -0.739 175.385 176.300 -0.294 0.000 1.035 229 R CA 0.656 56.656 56.100 -0.167 0.000 1.289 229 R CB -1.611 28.669 30.300 -0.034 0.000 1.906 229 R HN 0.243 nan 8.270 nan 0.000 0.540 230 V N 1.527 121.176 119.914 -0.442 0.000 2.443 230 V HA 0.409 4.529 4.120 -0.000 0.000 0.293 230 V C -0.432 175.354 176.094 -0.513 0.000 1.021 230 V CA -0.691 61.387 62.300 -0.371 0.000 0.848 230 V CB 1.226 32.938 31.823 -0.186 0.000 0.998 230 V HN 0.068 nan 8.190 nan 0.000 0.424 231 Y N 4.743 124.978 120.300 -0.109 0.000 2.453 231 Y HA 0.769 5.319 4.550 -0.000 0.000 0.326 231 Y C -0.114 175.623 175.900 -0.271 0.000 1.186 231 Y CA -1.117 56.882 58.100 -0.168 0.000 1.200 231 Y CB 1.617 39.992 38.460 -0.141 0.000 1.247 231 Y HN 0.510 nan 8.280 nan 0.000 0.482 232 L N 3.015 124.075 121.223 -0.271 0.000 2.376 232 L HA 0.493 4.833 4.340 -0.000 0.000 0.275 232 L C -1.057 175.467 176.870 -0.575 0.000 0.987 232 L CA -1.304 53.280 54.840 -0.426 0.000 0.828 232 L CB 1.546 43.277 42.059 -0.548 0.000 1.249 232 L HN 0.651 nan 8.230 nan 0.000 0.409 233 K N 5.366 125.565 120.400 -0.334 0.000 2.334 233 K HA 0.448 4.768 4.320 -0.000 0.000 0.265 233 K C -1.249 175.260 176.600 -0.152 0.000 1.039 233 K CA -0.756 55.371 56.287 -0.266 0.000 0.920 233 K CB 0.972 33.364 32.500 -0.181 0.000 1.160 233 K HN 0.718 nan 8.250 nan 0.000 0.451 234 L N 4.071 125.239 121.223 -0.092 0.000 2.331 234 L HA 0.390 4.730 4.340 -0.000 0.000 0.278 234 L C -0.641 176.310 176.870 0.134 0.000 1.106 234 L CA 0.697 55.595 54.840 0.097 0.000 0.824 234 L CB 1.467 43.703 42.059 0.295 0.000 1.142 234 L HN 0.704 nan 8.230 nan 0.000 0.443 235 T N 5.644 120.272 114.554 0.123 0.000 2.952 235 T HA 0.594 4.944 4.350 -0.000 0.000 0.305 235 T C -0.807 173.980 174.700 0.144 0.000 1.064 235 T CA -0.511 61.673 62.100 0.141 0.000 1.008 235 T CB 0.629 69.533 68.868 0.060 0.000 1.078 235 T HN 0.508 nan 8.240 nan 0.000 0.459 236 I N 4.923 125.626 120.570 0.221 0.000 2.464 236 I HA 0.402 4.572 4.170 -0.000 0.000 0.277 236 I C 1.434 177.625 176.117 0.123 0.000 1.040 236 I CA -1.020 60.383 61.300 0.173 0.000 1.153 236 I CB 1.252 39.410 38.000 0.263 0.000 1.274 236 I HN 0.900 nan 8.210 nan 0.000 0.469 237 A N 4.077 126.926 122.820 0.047 0.000 1.883 237 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 237 A C 0.977 178.553 177.584 -0.013 0.000 1.186 237 A CA 1.566 53.612 52.037 0.016 0.000 0.624 237 A CB -0.119 18.879 19.000 -0.003 0.000 0.822 237 A HN 0.660 nan 8.150 nan 0.000 0.444 238 D N -1.899 118.485 120.400 -0.027 0.000 2.453 238 D HA 0.419 5.059 4.640 -0.000 0.000 0.238 238 D C -2.321 173.905 176.300 -0.123 0.000 1.088 238 D CA -2.314 51.663 54.000 -0.039 0.000 0.854 238 D CB 1.531 42.329 40.800 -0.003 0.000 1.076 238 D HN -0.070 nan 8.370 nan 0.000 0.533 239 P HA 0.009 nan 4.420 nan 0.000 0.225 239 P C 0.706 177.631 177.300 -0.624 0.000 1.148 239 P CA 0.719 63.319 63.100 -0.835 0.000 0.779 239 P CB 0.067 30.895 31.700 -1.453 0.000 0.780 240 F N -0.933 118.868 119.950 -0.248 0.000 2.698 240 F HA 0.278 4.804 4.527 -0.000 0.000 0.295 240 F C 1.554 177.291 175.800 -0.106 0.000 1.124 240 F CA 0.104 58.008 58.000 -0.160 0.000 1.426 240 F CB -0.348 38.563 39.000 -0.148 0.000 1.120 240 F HN -0.209 nan 8.300 nan 0.000 0.583 241 A N -1.032 121.821 122.820 0.055 0.000 3.257 241 A HA 0.278 4.597 4.320 -0.000 0.000 0.308 241 A C 1.309 178.877 177.584 -0.026 0.000 1.175 241 A CA -0.325 51.718 52.037 0.010 0.000 1.018 241 A CB -1.221 17.780 19.000 0.001 0.000 1.088 241 A HN 0.431 nan 8.150 nan 0.000 0.567 242 C N -0.389 118.893 119.300 -0.030 0.000 2.349 242 C HA -0.216 4.244 4.460 -0.000 0.000 0.274 242 C C 2.307 177.261 174.990 -0.061 0.000 1.178 242 C CA 1.991 60.990 59.018 -0.032 0.000 1.769 242 C CB -0.718 27.007 27.740 -0.025 0.000 2.047 242 C HN 0.727 nan 8.230 nan 0.000 0.448 243 I N 0.005 120.528 120.570 -0.078 0.000 2.867 243 I HA 0.010 4.180 4.170 -0.000 0.000 0.265 243 I C 2.666 178.671 176.117 -0.187 0.000 1.162 243 I CA 0.976 62.181 61.300 -0.158 0.000 1.471 243 I CB -0.501 37.402 38.000 -0.162 0.000 1.123 243 I HN 0.371 nan 8.210 nan 0.000 0.440 244 A N 0.771 123.519 122.820 -0.121 0.000 1.940 244 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 244 A C 2.203 179.727 177.584 -0.100 0.000 1.176 244 A CA 2.193 54.166 52.037 -0.107 0.000 0.631 244 A CB -0.552 18.408 19.000 -0.067 0.000 0.814 244 A HN 0.508 nan 8.150 nan 0.000 0.446 245 S N -1.720 113.932 115.700 -0.081 0.000 2.572 245 S HA 0.381 4.851 4.470 -0.000 0.000 0.228 245 S C 0.564 175.129 174.600 -0.059 0.000 0.963 245 S CA -0.310 57.854 58.200 -0.059 0.000 0.939 245 S CB -0.400 62.779 63.200 -0.035 0.000 0.804 245 S HN 0.519 nan 8.310 nan 0.000 0.480 246 M N 2.777 122.316 119.600 -0.101 0.000 2.240 246 M HA 0.356 4.836 4.480 -0.000 0.000 0.333 246 M C -0.431 175.816 176.300 -0.088 0.000 1.110 246 M CA 0.311 55.552 55.300 -0.098 0.000 1.173 246 M CB 1.115 33.601 32.600 -0.190 0.000 1.458 246 M HN 0.349 nan 8.290 nan 0.000 0.458 247 S N 5.052 120.730 115.700 -0.037 0.000 2.562 247 S HA 0.595 5.065 4.470 -0.000 0.000 0.274 247 S C -1.630 172.973 174.600 0.005 0.000 1.160 247 S CA -0.904 57.279 58.200 -0.028 0.000 0.933 247 S CB 1.097 64.280 63.200 -0.028 0.000 1.100 247 S HN 0.775 nan 8.310 nan 0.000 0.468 248 L N 3.680 124.909 121.223 0.010 0.000 2.342 248 L HA 0.714 5.054 4.340 -0.000 0.000 0.271 248 L C -0.402 176.461 176.870 -0.011 0.000 1.008 248 L CA -0.718 54.143 54.840 0.035 0.000 0.818 248 L CB 2.117 44.252 42.059 0.127 0.000 1.296 248 L HN 0.630 nan 8.230 nan 0.000 0.427 249 K N 3.474 123.844 120.400 -0.050 0.000 2.535 249 K HA 0.544 4.863 4.320 -0.000 0.000 0.250 249 K C -1.352 175.181 176.600 -0.111 0.000 0.948 249 K CA -0.554 55.671 56.287 -0.104 0.000 0.796 249 K CB 2.742 35.146 32.500 -0.161 0.000 1.216 249 K HN 0.395 nan 8.250 nan 0.000 0.432 250 I N 4.320 124.838 120.570 -0.086 0.000 2.342 250 I HA 0.308 4.478 4.170 -0.000 0.000 0.291 250 I C -0.208 175.825 176.117 -0.140 0.000 1.010 250 I CA -0.395 60.858 61.300 -0.077 0.000 1.308 250 I CB 0.604 38.613 38.000 0.015 0.000 1.400 250 I HN 0.371 nan 8.210 nan 0.000 0.488 251 I N 5.795 126.267 120.570 -0.164 0.000 2.466 251 I HA 0.765 4.935 4.170 -0.000 0.000 0.289 251 I C 0.330 176.299 176.117 -0.246 0.000 1.026 251 I CA -0.262 60.870 61.300 -0.281 0.000 1.078 251 I CB 1.742 39.579 38.000 -0.273 0.000 1.249 251 I HN 0.787 nan 8.210 nan 0.000 0.429 252 G N 6.298 114.868 108.800 -0.383 0.000 2.333 252 G HA2 0.213 4.173 3.960 -0.000 0.000 0.288 252 G HA3 0.213 4.173 3.960 -0.000 0.000 0.288 252 G C -3.366 171.536 174.900 0.003 0.000 1.286 252 G CA -0.773 44.244 45.100 -0.137 0.000 0.865 252 G HN 0.256 nan 8.290 nan 0.000 0.506 253 P HA 0.130 nan 4.420 nan 0.000 0.267 253 P C 1.505 178.895 177.300 0.150 0.000 1.200 253 P CA 0.886 64.088 63.100 0.170 0.000 0.772 253 P CB 0.603 32.379 31.700 0.127 0.000 0.855 254 T N -0.399 114.272 114.554 0.195 0.000 2.665 254 T HA -0.262 4.087 4.350 -0.000 0.000 0.268 254 T C 1.421 176.215 174.700 0.156 0.000 1.035 254 T CA 1.637 63.863 62.100 0.211 0.000 1.151 254 T CB -0.792 68.243 68.868 0.279 0.000 0.862 254 T HN 0.522 nan 8.240 nan 0.000 0.438 255 E N 1.684 121.963 120.200 0.132 0.000 2.107 255 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 255 E C 2.078 178.739 176.600 0.102 0.000 0.982 255 E CA 1.040 57.505 56.400 0.109 0.000 0.809 255 E CB -0.529 29.225 29.700 0.090 0.000 0.756 255 E HN 0.465 nan 8.360 nan 0.000 0.459 256 E N 1.027 121.281 120.200 0.091 0.000 2.051 256 E HA -0.087 4.262 4.350 -0.000 0.000 0.192 256 E C 2.382 179.036 176.600 0.090 0.000 0.991 256 E CA 1.162 57.608 56.400 0.077 0.000 0.799 256 E CB -0.277 29.454 29.700 0.050 0.000 0.748 256 E HN 0.184 nan 8.360 nan 0.000 0.449 257 V N 1.590 121.560 119.914 0.094 0.000 2.255 257 V HA -0.298 3.821 4.120 -0.000 0.000 0.247 257 V C 2.487 178.661 176.094 0.133 0.000 1.051 257 V CA 1.999 64.365 62.300 0.110 0.000 1.018 257 V CB -0.968 30.942 31.823 0.144 0.000 0.641 257 V HN 0.275 nan 8.190 nan 0.000 0.445 258 A N -0.142 122.755 122.820 0.128 0.000 1.865 258 A HA -0.297 4.022 4.320 -0.000 0.000 0.217 258 A C 2.407 180.101 177.584 0.183 0.000 1.191 258 A CA 2.354 54.462 52.037 0.118 0.000 0.623 258 A CB -0.643 18.422 19.000 0.109 0.000 0.826 258 A HN 0.494 nan 8.150 nan 0.000 0.444 259 R N -0.415 120.195 120.500 0.183 0.000 2.088 259 R HA -0.105 4.234 4.340 -0.000 0.000 0.232 259 R C 2.113 178.553 176.300 0.233 0.000 1.136 259 R CA 1.901 58.128 56.100 0.212 0.000 0.926 259 R CB -0.542 29.837 30.300 0.132 0.000 0.837 259 R HN 0.512 nan 8.270 nan 0.000 0.429 260 L N 0.459 121.792 121.223 0.183 0.000 2.187 260 L HA -0.161 4.179 4.340 -0.000 0.000 0.213 260 L C 2.772 179.755 176.870 0.188 0.000 1.100 260 L CA 1.166 56.134 54.840 0.213 0.000 0.765 260 L CB -0.407 41.787 42.059 0.225 0.000 0.904 260 L HN 0.281 nan 8.230 nan 0.000 0.437 261 R N -0.893 119.678 120.500 0.118 0.000 2.139 261 R HA -0.180 4.160 4.340 -0.000 0.000 0.243 261 R C 2.238 178.509 176.300 -0.049 0.000 1.145 261 R CA 1.202 57.316 56.100 0.023 0.000 0.976 261 R CB -0.388 29.893 30.300 -0.031 0.000 0.866 261 R HN 0.545 nan 8.270 nan 0.000 0.449 262 H N -0.398 118.712 119.070 0.067 0.000 2.326 262 H HA -0.062 4.493 4.556 -0.000 0.000 0.301 262 H C 2.313 177.650 175.328 0.015 0.000 1.081 262 H CA 1.521 57.592 56.048 0.038 0.000 1.334 262 H CB -0.175 29.605 29.762 0.031 0.000 1.385 262 H HN 0.001 nan 8.280 nan 0.000 0.504 263 V N 1.658 121.653 119.914 0.135 0.000 2.324 263 V HA -0.254 3.866 4.120 -0.000 0.000 0.250 263 V C 2.723 178.764 176.094 -0.088 0.000 1.060 263 V CA 1.524 63.825 62.300 0.003 0.000 1.042 263 V CB -0.815 31.001 31.823 -0.012 0.000 0.650 263 V HN 0.177 nan 8.190 nan 0.000 0.450 264 L N 0.899 122.101 121.223 -0.034 0.000 1.970 264 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 264 L C 2.625 179.492 176.870 -0.004 0.000 1.071 264 L CA 2.502 57.325 54.840 -0.030 0.000 0.751 264 L CB -1.142 40.964 42.059 0.078 0.000 0.889 264 L HN 0.432 nan 8.230 nan 0.000 0.432 265 S N -0.152 115.556 115.700 0.013 0.000 2.377 265 S HA -0.263 4.206 4.470 -0.000 0.000 0.224 265 S C 1.661 176.278 174.600 0.027 0.000 1.042 265 S CA 1.532 59.744 58.200 0.021 0.000 1.086 265 S CB -0.996 62.218 63.200 0.023 0.000 0.995 265 S HN 0.520 nan 8.310 nan 0.000 0.428 266 D N 1.567 121.981 120.400 0.022 0.000 2.133 266 D HA -0.073 4.567 4.640 -0.000 0.000 0.192 266 D C 2.207 178.511 176.300 0.006 0.000 1.001 266 D CA 1.450 55.458 54.000 0.014 0.000 0.844 266 D CB -1.080 39.722 40.800 0.003 0.000 0.944 266 D HN 0.487 nan 8.370 nan 0.000 0.447 267 G N 0.380 109.162 108.800 -0.030 0.000 2.442 267 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 267 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 267 G C 1.749 176.732 174.900 0.139 0.000 1.141 267 G CA 0.611 45.694 45.100 -0.028 0.000 0.763 267 G HN 0.280 nan 8.290 nan 0.000 0.554 268 L N 0.646 121.968 121.223 0.164 0.000 2.056 268 L HA -0.047 4.292 4.340 -0.000 0.000 0.207 268 L C 3.180 180.160 176.870 0.184 0.000 1.078 268 L CA 1.186 56.163 54.840 0.229 0.000 0.749 268 L CB -0.437 41.674 42.059 0.086 0.000 0.901 268 L HN 0.142 nan 8.230 nan 0.000 0.433 269 S N 0.111 115.873 115.700 0.103 0.000 2.400 269 S HA -0.178 4.292 4.470 -0.000 0.000 0.232 269 S C 1.247 175.902 174.600 0.092 0.000 1.025 269 S CA 1.546 59.793 58.200 0.078 0.000 0.993 269 S CB -0.504 62.723 63.200 0.046 0.000 0.808 269 S HN 0.522 nan 8.310 nan 0.000 0.478 270 N N 0.077 118.831 118.700 0.090 0.000 2.295 270 N HA 0.072 4.811 4.740 -0.000 0.000 0.221 270 N C -0.410 175.147 175.510 0.078 0.000 1.129 270 N CA -0.271 52.813 53.050 0.056 0.000 0.836 270 N CB 0.198 38.684 38.487 -0.003 0.000 1.040 270 N HN 0.402 nan 8.380 nan 0.000 0.494 271 W N 2.481 123.770 121.300 -0.019 0.000 2.397 271 W HA -0.023 4.637 4.660 -0.000 0.000 0.327 271 W C -0.099 176.416 176.519 -0.007 0.000 1.421 271 W CA 0.326 57.664 57.345 -0.012 0.000 1.288 271 W CB 0.283 29.740 29.460 -0.006 0.000 1.312 271 W HN 0.143 nan 8.180 nan 0.000 0.559 272 D N 3.968 124.198 120.400 -0.285 0.000 2.365 272 D HA -0.014 4.626 4.640 -0.000 0.000 0.237 272 D C 1.477 177.767 176.300 -0.017 0.000 1.190 272 D CA 0.143 54.066 54.000 -0.129 0.000 0.867 272 D CB 0.960 41.648 40.800 -0.185 0.000 1.050 272 D HN 0.366 nan 8.370 nan 0.000 0.491 273 S N 2.890 118.687 115.700 0.161 0.000 2.469 273 S HA -0.139 4.331 4.470 -0.000 0.000 0.238 273 S C 0.952 175.628 174.600 0.127 0.000 0.998 273 S CA 0.695 59.029 58.200 0.224 0.000 0.957 273 S CB -0.149 63.150 63.200 0.164 0.000 0.764 273 S HN 0.580 nan 8.310 nan 0.000 0.514 274 E N 0.518 120.754 120.200 0.059 0.000 2.368 274 E HA 0.314 4.664 4.350 -0.000 0.000 0.188 274 E C -0.394 176.215 176.600 0.015 0.000 1.061 274 E CA 0.057 56.479 56.400 0.036 0.000 0.933 274 E CB -0.022 29.690 29.700 0.019 0.000 1.091 274 E HN 0.606 nan 8.360 nan 0.000 0.458 275 M N 1.613 121.217 119.600 0.007 0.000 2.446 275 M HA 0.171 4.651 4.480 -0.000 0.000 0.294 275 M C -0.218 176.104 176.300 0.036 0.000 1.158 275 M CA -1.078 54.208 55.300 -0.023 0.000 0.899 275 M CB 1.996 34.519 32.600 -0.129 0.000 1.687 275 M HN -0.032 nan 8.290 nan 0.000 0.455 276 N N 2.513 121.252 118.700 0.065 0.000 2.255 276 N HA 0.162 4.901 4.740 -0.000 0.000 0.253 276 N C 0.478 176.095 175.510 0.178 0.000 1.313 276 N CA 0.092 53.219 53.050 0.130 0.000 0.912 276 N CB 0.460 39.011 38.487 0.107 0.000 1.145 276 N HN 0.756 nan 8.380 nan 0.000 0.511 277 I N -1.310 119.416 120.570 0.260 0.000 2.286 277 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 277 I C 2.348 178.628 176.117 0.273 0.000 1.104 277 I CA 1.444 62.976 61.300 0.386 0.000 1.397 277 I CB -0.632 37.573 38.000 0.342 0.000 1.072 277 I HN 0.636 nan 8.210 nan 0.000 0.417 278 H N 2.031 121.191 119.070 0.151 0.000 2.265 278 H HA -0.205 4.351 4.556 -0.000 0.000 0.295 278 H C 2.152 177.584 175.328 0.173 0.000 1.084 278 H CA 2.103 58.251 56.048 0.167 0.000 1.261 278 H CB -0.013 29.809 29.762 0.101 0.000 1.360 278 H HN 0.089 nan 8.280 nan 0.000 0.487 279 K N -0.251 120.168 120.400 0.032 0.000 2.147 279 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 279 K C 2.163 178.655 176.600 -0.181 0.000 1.049 279 K CA 1.003 57.237 56.287 -0.089 0.000 0.936 279 K CB 0.002 32.509 32.500 0.011 0.000 0.722 279 K HN 0.352 nan 8.250 nan 0.000 0.446 280 N N 0.961 119.513 118.700 -0.248 0.000 2.244 280 N HA -0.067 4.673 4.740 -0.000 0.000 0.183 280 N C 1.637 176.932 175.510 -0.358 0.000 1.016 280 N CA 0.888 53.604 53.050 -0.558 0.000 0.866 280 N CB 0.091 37.806 38.487 -1.286 0.000 0.980 280 N HN 0.167 nan 8.380 nan 0.000 0.430 281 L N 0.489 121.690 121.223 -0.037 0.000 2.109 281 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 281 L C 2.294 179.306 176.870 0.238 0.000 1.086 281 L CA 0.518 55.534 54.840 0.292 0.000 0.760 281 L CB -0.341 42.093 42.059 0.625 0.000 0.910 281 L HN 0.131 nan 8.230 nan 0.000 0.437 282 L N -0.432 120.773 121.223 -0.029 0.000 2.046 282 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 282 L C 2.834 179.617 176.870 -0.145 0.000 1.077 282 L CA 1.270 55.980 54.840 -0.218 0.000 0.747 282 L CB -0.495 41.388 42.059 -0.292 0.000 0.896 282 L HN 0.261 nan 8.230 nan 0.000 0.432 283 R N 0.246 120.652 120.500 -0.157 0.000 2.094 283 R HA -0.264 4.076 4.340 -0.000 0.000 0.239 283 R C 2.444 178.645 176.300 -0.165 0.000 1.137 283 R CA 2.237 58.237 56.100 -0.167 0.000 0.943 283 R CB -0.323 29.843 30.300 -0.222 0.000 0.850 283 R HN 0.239 nan 8.270 nan 0.000 0.433 284 M N -0.542 118.939 119.600 -0.198 0.000 2.082 284 M HA -0.180 4.300 4.480 -0.000 0.000 0.258 284 M C 0.671 176.706 176.300 -0.442 0.000 1.069 284 M CA 1.902 56.994 55.300 -0.347 0.000 1.102 284 M CB 0.010 32.340 32.600 -0.449 0.000 1.336 284 M HN 0.155 nan 8.290 nan 0.000 0.404 285 F N 0.355 120.284 119.950 -0.035 0.000 2.641 285 F HA 0.215 4.742 4.527 -0.000 0.000 0.302 285 F C 0.334 176.073 175.800 -0.101 0.000 1.098 285 F CA -0.386 57.590 58.000 -0.040 0.000 1.318 285 F CB -0.190 38.808 39.000 -0.004 0.000 1.035 285 F HN 0.190 nan 8.300 nan 0.000 0.551 286 D N 2.171 122.564 120.400 -0.013 0.000 2.812 286 D HA -0.203 4.437 4.640 -0.000 0.000 0.237 286 D C -0.980 175.255 176.300 -0.110 0.000 1.162 286 D CA 0.668 54.629 54.000 -0.064 0.000 0.740 286 D CB -0.878 39.897 40.800 -0.043 0.000 1.000 286 D HN 0.259 nan 8.370 nan 0.000 0.416 287 L N 0.688 121.801 121.223 -0.184 0.000 2.431 287 L HA 0.353 4.693 4.340 -0.000 0.000 0.266 287 L C 1.324 178.011 176.870 -0.306 0.000 0.978 287 L CA -1.143 53.517 54.840 -0.299 0.000 0.822 287 L CB 2.023 43.821 42.059 -0.435 0.000 1.310 287 L HN 0.078 nan 8.230 nan 0.000 0.409 288 C N 1.623 120.717 119.300 -0.343 0.000 2.514 288 C HA 0.131 4.591 4.460 -0.000 0.000 0.271 288 C C -0.050 174.871 174.990 -0.115 0.000 1.399 288 C CA 0.150 59.037 59.018 -0.219 0.000 1.765 288 C CB -1.010 26.634 27.740 -0.161 0.000 1.893 288 C HN 0.682 nan 8.230 nan 0.000 0.531 289 Y N -4.386 115.839 120.300 -0.125 0.000 2.641 289 Y HA 0.603 5.153 4.550 -0.000 0.000 0.333 289 Y C -1.015 174.802 175.900 -0.139 0.000 1.174 289 Y CA -2.788 55.269 58.100 -0.071 0.000 1.057 289 Y CB -0.303 38.176 38.460 0.032 0.000 1.322 289 Y HN -0.090 nan 8.280 nan 0.000 0.457 290 F N 2.615 122.782 119.950 0.363 0.000 2.375 290 F HA 0.599 5.126 4.527 -0.000 0.000 0.333 290 F C -1.919 174.054 175.800 0.289 0.000 1.104 290 F CA -1.893 56.268 58.000 0.268 0.000 1.149 290 F CB 0.963 40.081 39.000 0.197 0.000 1.190 290 F HN 0.262 nan 8.300 nan 0.000 0.533 291 P HA 0.093 nan 4.420 nan 0.000 0.264 291 P C -0.782 176.643 177.300 0.209 0.000 1.193 291 P CA 0.242 63.509 63.100 0.278 0.000 0.763 291 P CB 0.446 32.281 31.700 0.225 0.000 0.810 292 M N 4.107 123.749 119.600 0.070 0.000 2.414 292 M HA 0.398 4.878 4.480 -0.000 0.000 0.287 292 M C -2.871 173.332 176.300 -0.161 0.000 1.181 292 M CA -2.117 53.162 55.300 -0.034 0.000 0.933 292 M CB 2.207 34.817 32.600 0.016 0.000 1.732 292 M HN 0.073 nan 8.290 nan 0.000 0.486 293 P HA 0.302 nan 4.420 nan 0.000 0.268 293 P C -1.736 175.418 177.300 -0.242 0.000 1.205 293 P CA 0.252 63.177 63.100 -0.291 0.000 0.771 293 P CB 0.433 31.904 31.700 -0.380 0.000 0.858 294 D N 0.649 120.917 120.400 -0.220 0.000 2.661 294 D HA 0.176 4.816 4.640 -0.000 0.000 0.228 294 D C 0.018 176.231 176.300 -0.144 0.000 1.210 294 D CA -0.683 53.210 54.000 -0.178 0.000 0.826 294 D CB 0.590 41.328 40.800 -0.103 0.000 1.542 294 D HN 0.214 nan 8.370 nan 0.000 0.447 295 W N 1.223 122.495 121.300 -0.046 0.000 2.364 295 W HA -0.151 4.509 4.660 -0.000 0.000 0.281 295 W C 2.288 178.789 176.519 -0.031 0.000 1.219 295 W CA 1.295 58.620 57.345 -0.034 0.000 1.220 295 W CB -0.048 29.395 29.460 -0.028 0.000 1.127 295 W HN 0.489 nan 8.180 nan 0.000 0.556 296 S N -0.720 115.080 115.700 0.167 0.000 2.595 296 S HA -0.138 4.331 4.470 -0.000 0.000 0.235 296 S C 0.958 175.590 174.600 0.054 0.000 0.974 296 S CA 1.155 59.411 58.200 0.095 0.000 0.942 296 S CB -0.399 62.834 63.200 0.055 0.000 0.766 296 S HN 0.183 nan 8.310 nan 0.000 0.536 297 D N 2.025 122.441 120.400 0.027 0.000 2.378 297 D HA 0.267 4.907 4.640 -0.000 0.000 0.227 297 D C 1.443 177.758 176.300 0.025 0.000 1.012 297 D CA 0.928 54.930 54.000 0.003 0.000 0.905 297 D CB -0.630 40.142 40.800 -0.045 0.000 0.895 297 D HN 0.611 nan 8.370 nan 0.000 0.532 298 G N 1.340 110.180 108.800 0.066 0.000 2.752 298 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.234 298 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.234 298 G C -2.445 172.501 174.900 0.075 0.000 1.367 298 G CA -0.913 44.235 45.100 0.079 0.000 0.879 298 G HN 0.113 nan 8.290 nan 0.000 0.563 299 P HA 0.412 nan 4.420 nan 0.000 0.276 299 P C 0.542 177.855 177.300 0.022 0.000 1.235 299 P CA -0.345 62.788 63.100 0.055 0.000 0.772 299 P CB 1.108 32.840 31.700 0.053 0.000 0.871 300 K N 2.992 123.393 120.400 0.002 0.000 2.001 300 K HA -0.086 4.234 4.320 -0.000 0.000 0.221 300 K C 1.508 178.106 176.600 -0.002 0.000 0.991 300 K CA 1.390 57.671 56.287 -0.009 0.000 1.047 300 K CB -1.129 31.356 32.500 -0.025 0.000 0.867 300 K HN 0.464 nan 8.250 nan 0.000 0.469 301 L N -2.245 118.974 121.223 -0.007 0.000 3.461 301 L HA -0.415 3.925 4.340 -0.000 0.000 0.054 301 L C -0.292 176.575 176.870 -0.005 0.000 4.408 301 L CA 1.693 56.530 54.840 -0.006 0.000 0.544 301 L CB -2.583 39.476 42.059 0.000 0.000 3.531 301 L HN 0.430 nan 8.230 nan 0.000 0.724 302 D N 3.535 123.935 120.400 -0.000 0.000 2.923 302 D HA -0.033 4.607 4.640 -0.000 0.000 0.220 302 D C 1.385 177.683 176.300 -0.002 0.000 1.099 302 D CA 1.567 55.568 54.000 0.000 0.000 0.807 302 D CB 0.662 41.464 40.800 0.004 0.000 1.155 302 D HN 0.803 nan 8.370 nan 0.000 0.524 303 E N 1.958 122.157 120.200 -0.002 0.000 4.216 303 E HA -0.312 4.038 4.350 -0.000 0.000 0.149 303 E C -0.243 176.353 176.600 -0.006 0.000 0.900 303 E CA 1.361 57.759 56.400 -0.003 0.000 2.729 303 E CB -1.519 28.180 29.700 -0.002 0.000 1.510 303 E HN 0.494 nan 8.360 nan 0.000 0.639 304 E N 2.874 123.069 120.200 -0.009 0.000 2.149 304 E HA -0.184 4.165 4.350 -0.000 0.000 0.191 304 E C -0.388 176.204 176.600 -0.014 0.000 1.384 304 E CA 1.322 57.714 56.400 -0.013 0.000 0.698 304 E CB -1.470 28.223 29.700 -0.012 0.000 1.086 304 E HN 0.442 nan 8.360 nan 0.000 0.338 305 D N 1.335 121.727 120.400 -0.013 0.000 2.836 305 D HA -0.126 4.513 4.640 -0.000 0.000 0.220 305 D C 0.058 176.350 176.300 -0.014 0.000 1.094 305 D CA 0.706 54.699 54.000 -0.010 0.000 0.820 305 D CB 0.223 41.019 40.800 -0.007 0.000 1.171 305 D HN 0.489 nan 8.370 nan 0.000 0.507 306 N N 2.204 120.897 118.700 -0.011 0.000 1.935 306 N HA -0.197 4.543 4.740 -0.000 0.000 0.304 306 N C 0.423 175.925 175.510 -0.015 0.000 1.286 306 N CA 0.253 53.296 53.050 -0.012 0.000 0.798 306 N CB 0.366 38.846 38.487 -0.011 0.000 1.028 306 N HN 0.316 nan 8.380 nan 0.000 0.494 307 E N 0.110 120.300 120.200 -0.017 0.000 2.339 307 E HA -0.197 4.153 4.350 -0.000 0.000 0.201 307 E C -0.187 176.403 176.600 -0.017 0.000 1.015 307 E CA 1.138 57.525 56.400 -0.022 0.000 0.841 307 E CB -0.044 29.643 29.700 -0.022 0.000 0.754 307 E HN 0.592 nan 8.360 nan 0.000 0.508 308 E N 0.213 120.411 120.200 -0.003 0.000 2.042 308 E HA 0.129 4.479 4.350 -0.000 0.000 0.260 308 E C 0.062 176.674 176.600 0.020 0.000 0.975 308 E CA -0.044 56.367 56.400 0.018 0.000 0.799 308 E CB 0.394 30.112 29.700 0.030 0.000 1.131 308 E HN 0.242 nan 8.360 nan 0.000 0.423 309 L N 1.423 122.667 121.223 0.035 0.000 2.769 309 L HA 0.294 4.634 4.340 -0.000 0.000 0.240 309 L C 0.379 177.340 176.870 0.152 0.000 1.163 309 L CA -0.166 54.720 54.840 0.075 0.000 0.962 309 L CB 0.101 42.209 42.059 0.082 0.000 1.258 309 L HN -0.111 nan 8.230 nan 0.000 0.513 310 R N -0.249 120.327 120.500 0.127 0.000 2.235 310 R HA 0.267 4.607 4.340 -0.000 0.000 0.338 310 R C 0.748 177.058 176.300 0.018 0.000 1.087 310 R CA -0.152 56.037 56.100 0.147 0.000 0.948 310 R CB 0.420 30.840 30.300 0.201 0.000 1.099 310 R HN 0.179 nan 8.270 nan 0.000 0.483 311 C N 2.252 121.438 119.300 -0.190 0.000 0.879 311 C HA -0.381 4.079 4.460 -0.000 0.000 0.055 311 C C 1.155 176.028 174.990 -0.195 0.000 0.400 311 C CA 1.785 60.629 59.018 -0.291 0.000 0.636 311 C CB -0.581 27.064 27.740 -0.158 0.000 3.190 311 C HN 1.026 nan 8.230 nan 0.000 1.099 312 N N -1.994 116.568 118.700 -0.231 0.000 3.383 312 N HA 0.041 4.781 4.740 -0.000 0.000 0.149 312 N C -0.025 175.215 175.510 -0.450 0.000 1.122 312 N CA 0.769 53.682 53.050 -0.229 0.000 2.933 312 N CB -0.651 37.715 38.487 -0.201 0.000 1.193 312 N HN 0.747 nan 8.380 nan 0.000 0.838 313 I N -0.430 119.801 120.570 -0.565 0.000 3.990 313 I HA 0.079 4.249 4.170 -0.000 0.000 0.275 313 I C 1.887 177.657 176.117 -0.578 0.000 1.157 313 I CA 0.448 61.443 61.300 -0.510 0.000 1.338 313 I CB 0.257 38.130 38.000 -0.211 0.000 1.588 313 I HN 0.203 nan 8.210 nan 0.000 0.441 314 C N -0.277 118.825 119.300 -0.330 0.000 2.495 314 C HA 0.257 4.716 4.460 -0.000 0.000 0.275 314 C C 1.576 176.555 174.990 -0.019 0.000 1.392 314 C CA -0.500 58.439 59.018 -0.131 0.000 1.766 314 C CB -1.370 26.382 27.740 0.019 0.000 1.933 314 C HN 0.601 nan 8.230 nan 0.000 0.519 315 F N 0.047 120.029 119.950 0.053 0.000 3.006 315 F HA -0.225 4.301 4.527 -0.000 0.000 0.289 315 F C 0.978 176.819 175.800 0.068 0.000 0.772 315 F CA 0.186 58.213 58.000 0.045 0.000 1.162 315 F CB -1.694 37.327 39.000 0.036 0.000 1.382 315 F HN 0.569 nan 8.300 nan 0.000 0.406 316 A N -0.824 122.128 122.820 0.221 0.000 2.320 316 A HA 0.617 4.937 4.320 -0.000 0.000 0.334 316 A C 0.033 177.771 177.584 0.257 0.000 1.147 316 A CA -0.295 51.872 52.037 0.217 0.000 0.820 316 A CB 0.859 19.963 19.000 0.174 0.000 1.218 316 A HN 0.250 nan 8.150 nan 0.000 0.482 317 Y N 1.398 121.778 120.300 0.132 0.000 2.222 317 Y HA 0.258 4.807 4.550 -0.000 0.000 0.290 317 Y C 1.123 177.153 175.900 0.216 0.000 1.123 317 Y CA 1.367 59.531 58.100 0.106 0.000 1.120 317 Y CB 0.036 38.529 38.460 0.054 0.000 1.060 317 Y HN 0.584 nan 8.280 nan 0.000 0.508 318 R N 1.817 122.370 120.500 0.088 0.000 2.295 318 R HA 0.396 4.736 4.340 -0.000 0.000 0.324 318 R C -1.185 175.087 176.300 -0.047 0.000 0.968 318 R CA -0.432 55.642 56.100 -0.044 0.000 0.837 318 R CB 0.527 30.860 30.300 0.055 0.000 1.133 318 R HN 0.345 nan 8.270 nan 0.000 0.450 319 L N 2.753 123.861 121.223 -0.192 0.000 2.475 319 L HA 0.094 4.434 4.340 -0.000 0.000 0.253 319 L C 0.988 177.790 176.870 -0.114 0.000 1.198 319 L CA -0.565 54.150 54.840 -0.209 0.000 0.814 319 L CB 0.588 42.419 42.059 -0.380 0.000 1.134 319 L HN 0.669 nan 8.230 nan 0.000 0.478 320 D N 1.093 121.441 120.400 -0.087 0.000 2.315 320 D HA -0.110 4.530 4.640 -0.000 0.000 0.211 320 D C 1.479 177.748 176.300 -0.051 0.000 0.977 320 D CA 1.294 55.264 54.000 -0.050 0.000 0.894 320 D CB -0.004 40.773 40.800 -0.038 0.000 0.910 320 D HN 0.776 nan 8.370 nan 0.000 0.490 321 G N -1.571 107.181 108.800 -0.080 0.000 3.324 321 G HA2 0.368 4.328 3.960 -0.000 0.000 0.251 321 G HA3 0.368 4.328 3.960 -0.000 0.000 0.251 321 G C 1.127 175.975 174.900 -0.087 0.000 1.072 321 G CA 0.269 45.326 45.100 -0.071 0.000 0.787 321 G HN 0.353 nan 8.290 nan 0.000 0.537 322 G N 0.070 108.812 108.800 -0.097 0.000 2.157 322 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.248 322 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.248 322 G C 0.106 174.927 174.900 -0.132 0.000 0.979 322 G CA 0.188 45.230 45.100 -0.096 0.000 0.650 322 G HN 0.513 nan 8.290 nan 0.000 0.529 323 E N -0.499 119.596 120.200 -0.176 0.000 2.392 323 E HA 0.536 4.886 4.350 -0.000 0.000 0.264 323 E C 0.369 176.915 176.600 -0.090 0.000 1.024 323 E CA 0.078 56.372 56.400 -0.176 0.000 0.903 323 E CB 1.626 31.166 29.700 -0.267 0.000 0.963 323 E HN 0.260 nan 8.360 nan 0.000 0.432 324 V N 4.090 124.024 119.914 0.033 0.000 2.962 324 V HA 0.347 4.467 4.120 -0.000 0.000 0.313 324 V C -2.411 173.565 176.094 -0.197 0.000 1.099 324 V CA -2.287 59.948 62.300 -0.108 0.000 0.971 324 V CB 2.391 34.021 31.823 -0.322 0.000 1.028 324 V HN 0.572 nan 8.190 nan 0.000 0.430 325 P HA 0.240 nan 4.420 nan 0.000 0.267 325 P C 0.223 177.384 177.300 -0.232 0.000 1.328 325 P CA 0.518 63.317 63.100 -0.502 0.000 0.990 325 P CB 0.072 31.497 31.700 -0.457 0.000 1.168 326 L N 1.853 122.960 121.223 -0.193 0.000 2.749 326 L HA 0.140 4.480 4.340 -0.000 0.000 0.242 326 L C 0.555 177.369 176.870 -0.093 0.000 1.103 326 L CA -0.007 54.764 54.840 -0.115 0.000 0.906 326 L CB 0.362 42.260 42.059 -0.268 0.000 1.228 326 L HN 0.019 nan 8.230 nan 0.000 0.517 327 V N 0.576 120.273 119.914 -0.363 0.000 2.585 327 V HA 0.167 4.287 4.120 -0.000 0.000 0.296 327 V C 0.334 176.040 176.094 -0.648 0.000 1.035 327 V CA 0.413 62.144 62.300 -0.949 0.000 1.084 327 V CB 1.111 32.557 31.823 -0.628 0.000 0.953 327 V HN 0.224 nan 8.190 nan 0.000 0.483 328 S N 3.014 118.299 115.700 -0.692 0.000 2.584 328 S HA 0.378 4.848 4.470 -0.000 0.000 0.280 328 S C -0.279 174.281 174.600 -0.065 0.000 1.162 328 S CA -0.751 57.305 58.200 -0.240 0.000 0.951 328 S CB 0.836 64.009 63.200 -0.045 0.000 1.108 328 S HN 1.155 nan 8.310 nan 0.000 0.464 329 C N 2.563 121.820 119.300 -0.072 0.000 2.633 329 C HA 0.513 4.973 4.460 -0.000 0.000 0.345 329 C C 1.668 176.699 174.990 0.069 0.000 1.384 329 C CA -0.022 59.011 59.018 0.024 0.000 2.418 329 C CB -0.572 27.161 27.740 -0.012 0.000 2.425 329 C HN 0.871 nan 8.230 nan 0.000 0.705 330 D N 0.366 120.816 120.400 0.083 0.000 2.264 330 D HA -0.036 4.604 4.640 -0.000 0.000 0.208 330 D C 0.688 177.013 176.300 0.042 0.000 0.966 330 D CA 1.189 55.235 54.000 0.076 0.000 0.864 330 D CB -0.466 40.371 40.800 0.062 0.000 0.933 330 D HN 0.695 nan 8.370 nan 0.000 0.499 331 N N 0.707 119.420 118.700 0.022 0.000 2.400 331 N HA 0.068 4.808 4.740 -0.000 0.000 0.267 331 N C 0.859 176.373 175.510 0.006 0.000 1.208 331 N CA 0.036 53.092 53.050 0.010 0.000 0.951 331 N CB 0.785 39.275 38.487 0.004 0.000 1.227 331 N HN -0.052 nan 8.380 nan 0.000 0.488 332 A N 4.851 127.677 122.820 0.011 0.000 1.986 332 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 332 A C 1.731 179.315 177.584 -0.000 0.000 1.171 332 A CA 1.470 53.512 52.037 0.008 0.000 0.640 332 A CB -0.239 18.767 19.000 0.012 0.000 0.811 332 A HN 0.798 nan 8.150 nan 0.000 0.451 333 K N -1.379 119.021 120.400 -0.000 0.000 2.459 333 K HA 0.070 4.390 4.320 -0.000 0.000 0.193 333 K C 0.453 177.048 176.600 -0.009 0.000 1.030 333 K CA 0.325 56.611 56.287 -0.002 0.000 1.026 333 K CB -0.419 32.083 32.500 0.003 0.000 0.809 333 K HN 0.352 nan 8.250 nan 0.000 0.504 334 C N 3.880 123.169 119.300 -0.018 0.000 2.400 334 C HA 0.163 4.623 4.460 -0.000 0.000 0.457 334 C C 0.793 175.738 174.990 -0.074 0.000 1.020 334 C CA -1.198 57.797 59.018 -0.038 0.000 1.258 334 C CB -1.820 25.894 27.740 -0.044 0.000 1.532 334 C HN 0.256 nan 8.230 nan 0.000 0.537 335 V N 4.403 124.283 119.914 -0.057 0.000 2.539 335 V HA 0.409 4.528 4.120 -0.000 0.000 0.300 335 V C -0.260 175.757 176.094 -0.129 0.000 1.019 335 V CA 0.446 62.704 62.300 -0.070 0.000 1.160 335 V CB -0.234 31.565 31.823 -0.040 0.000 0.901 335 V HN 0.747 nan 8.190 nan 0.000 0.481 336 L N 3.657 124.772 121.223 -0.180 0.000 5.392 336 L HA 0.258 4.598 4.340 -0.000 0.000 0.242 336 L C -0.353 176.312 176.870 -0.342 0.000 1.154 336 L CA -0.117 54.533 54.840 -0.317 0.000 0.928 336 L CB 0.695 42.418 42.059 -0.559 0.000 1.635 336 L HN 0.826 nan 8.230 nan 0.000 0.382 337 K N 1.159 121.386 120.400 -0.288 0.000 2.331 337 K HA 0.920 5.240 4.320 -0.000 0.000 0.238 337 K C -1.333 175.071 176.600 -0.327 0.000 1.058 337 K CA -0.840 55.279 56.287 -0.280 0.000 0.871 337 K CB 2.565 34.959 32.500 -0.176 0.000 1.292 337 K HN 0.432 nan 8.250 nan 0.000 0.470 338 C N 0.512 119.615 119.300 -0.328 0.000 3.181 338 C HA 0.256 4.716 4.460 -0.000 0.000 0.362 338 C C -1.064 173.761 174.990 -0.274 0.000 1.125 338 C CA -0.689 58.142 59.018 -0.312 0.000 1.265 338 C CB 0.753 28.311 27.740 -0.303 0.000 1.632 338 C HN 0.870 nan 8.230 nan 0.000 0.525 339 H N 1.701 120.687 119.070 -0.140 0.000 2.764 339 H HA 0.321 4.877 4.556 -0.000 0.000 0.341 339 H C 1.116 176.417 175.328 -0.045 0.000 1.072 339 H CA 0.711 56.694 56.048 -0.108 0.000 1.444 339 H CB 1.183 30.883 29.762 -0.103 0.000 1.458 339 H HN 0.815 nan 8.280 nan 0.000 0.572 340 A N 3.411 126.312 122.820 0.136 0.000 1.902 340 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 340 A C 2.276 179.985 177.584 0.208 0.000 1.181 340 A CA 1.865 54.023 52.037 0.202 0.000 0.623 340 A CB -0.697 18.382 19.000 0.132 0.000 0.818 340 A HN 0.559 nan 8.150 nan 0.000 0.443 341 V N -0.946 119.037 119.914 0.116 0.000 2.407 341 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 341 V C 2.399 178.541 176.094 0.080 0.000 1.055 341 V CA 1.684 64.034 62.300 0.082 0.000 1.049 341 V CB -1.758 30.069 31.823 0.007 0.000 0.662 341 V HN 0.639 nan 8.190 nan 0.000 0.455 342 C N -0.175 119.168 119.300 0.071 0.000 2.421 342 C HA 0.016 4.476 4.460 -0.000 0.000 0.296 342 C C 1.965 176.969 174.990 0.023 0.000 1.470 342 C CA 0.815 59.854 59.018 0.036 0.000 1.779 342 C CB -1.564 26.195 27.740 0.032 0.000 1.715 342 C HN 0.552 nan 8.230 nan 0.000 0.564 343 L N -0.294 120.971 121.223 0.069 0.000 3.229 343 L HA 0.123 4.463 4.340 -0.000 0.000 0.286 343 L C 2.050 179.039 176.870 0.197 0.000 1.239 343 L CA 0.151 55.012 54.840 0.035 0.000 1.035 343 L CB -0.378 41.583 42.059 -0.163 0.000 1.408 343 L HN 0.316 nan 8.230 nan 0.000 0.593 344 E N 1.103 121.437 120.200 0.224 0.000 2.070 344 E HA -0.287 4.063 4.350 -0.000 0.000 0.197 344 E C 1.462 178.215 176.600 0.255 0.000 1.004 344 E CA 1.970 58.534 56.400 0.273 0.000 0.805 344 E CB 0.382 30.177 29.700 0.158 0.000 0.744 344 E HN 0.441 nan 8.360 nan 0.000 0.451 345 E N 0.112 120.417 120.200 0.175 0.000 2.017 345 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 345 E C 1.374 178.073 176.600 0.166 0.000 0.997 345 E CA 1.477 57.960 56.400 0.139 0.000 0.804 345 E CB -0.644 29.112 29.700 0.095 0.000 0.757 345 E HN 0.449 nan 8.360 nan 0.000 0.448 346 W N 0.322 121.597 121.300 -0.041 0.000 2.290 346 W HA -0.287 4.372 4.660 -0.000 0.000 0.311 346 W C 1.717 178.187 176.519 -0.081 0.000 1.238 346 W CA 1.882 59.158 57.345 -0.115 0.000 1.255 346 W CB -0.431 28.876 29.460 -0.255 0.000 1.145 346 W HN 0.081 nan 8.180 nan 0.000 0.506 347 F N -0.071 120.107 119.950 0.380 0.000 2.259 347 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 347 F C 2.302 178.137 175.800 0.058 0.000 1.088 347 F CA 1.527 59.678 58.000 0.253 0.000 1.358 347 F CB -0.268 38.911 39.000 0.299 0.000 1.040 347 F HN -0.211 nan 8.300 nan 0.000 0.505 348 K N -1.096 119.435 120.400 0.219 0.000 2.202 348 K HA -0.041 4.279 4.320 -0.000 0.000 0.201 348 K C 1.983 178.593 176.600 0.017 0.000 1.051 348 K CA 1.194 57.544 56.287 0.105 0.000 0.977 348 K CB -0.366 32.193 32.500 0.098 0.000 0.792 348 K HN -0.010 nan 8.250 nan 0.000 0.469 349 T N 1.104 115.646 114.554 -0.020 0.000 3.051 349 T HA -0.049 4.301 4.350 -0.000 0.000 0.269 349 T C 1.537 176.145 174.700 -0.154 0.000 1.127 349 T CA 0.643 62.699 62.100 -0.074 0.000 1.107 349 T CB 0.000 68.824 68.868 -0.074 0.000 0.898 349 T HN 0.084 nan 8.240 nan 0.000 0.517 350 L N 0.645 121.736 121.223 -0.221 0.000 2.262 350 L HA 0.478 4.818 4.340 -0.000 0.000 0.197 350 L C 1.830 178.619 176.870 -0.135 0.000 1.073 350 L CA 1.177 55.843 54.840 -0.291 0.000 0.800 350 L CB -0.232 41.470 42.059 -0.596 0.000 0.987 350 L HN 0.405 nan 8.230 nan 0.000 0.470 351 M N 0.238 119.806 119.600 -0.053 0.000 2.637 351 M HA 0.258 4.738 4.480 -0.000 0.000 0.286 351 M C -0.550 175.755 176.300 0.007 0.000 1.246 351 M CA -0.597 54.702 55.300 -0.002 0.000 0.978 351 M CB -0.564 32.073 32.600 0.063 0.000 1.417 351 M HN 0.230 nan 8.290 nan 0.000 0.487 352 D N 1.534 121.929 120.400 -0.008 0.000 2.581 352 D HA 0.157 4.797 4.640 -0.000 0.000 0.238 352 D C 0.989 177.289 176.300 0.000 0.000 1.145 352 D CA 1.613 55.613 54.000 -0.000 0.000 0.866 352 D CB 0.341 41.136 40.800 -0.010 0.000 1.151 352 D HN 0.638 nan 8.370 nan 0.000 0.500 353 G N 3.991 112.795 108.800 0.007 0.000 4.026 353 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.309 353 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.309 353 G C -0.040 174.865 174.900 0.009 0.000 1.411 353 G CA 0.648 45.751 45.100 0.005 0.000 1.037 353 G HN 1.025 nan 8.290 nan 0.000 0.687 354 K N 1.401 121.803 120.400 0.002 0.000 2.585 354 K HA 0.126 4.446 4.320 -0.000 0.000 0.271 354 K C 0.362 176.974 176.600 0.021 0.000 0.994 354 K CA 1.064 57.352 56.287 0.002 0.000 1.085 354 K CB -0.266 32.225 32.500 -0.014 0.000 0.802 354 K HN 0.634 nan 8.250 nan 0.000 0.476 355 T N 1.155 115.726 114.554 0.028 0.000 2.828 355 T HA 0.141 4.491 4.350 -0.000 0.000 0.290 355 T C 0.829 175.591 174.700 0.104 0.000 1.019 355 T CA -0.619 61.529 62.100 0.079 0.000 1.031 355 T CB 0.168 69.086 68.868 0.083 0.000 1.001 355 T HN 0.543 nan 8.240 nan 0.000 0.531 356 F N 3.248 123.174 119.950 -0.040 0.000 2.604 356 F HA 0.113 4.640 4.527 -0.000 0.000 0.298 356 F C 1.366 177.129 175.800 -0.062 0.000 1.131 356 F CA 0.606 58.580 58.000 -0.043 0.000 1.457 356 F CB -0.463 38.518 39.000 -0.032 0.000 1.095 356 F HN 0.479 nan 8.300 nan 0.000 0.574 357 L N -0.894 120.064 121.223 -0.441 0.000 2.418 357 L HA 0.204 4.544 4.340 -0.000 0.000 0.218 357 L C 1.658 178.346 176.870 -0.304 0.000 1.125 357 L CA 0.706 55.231 54.840 -0.525 0.000 0.835 357 L CB -0.843 41.058 42.059 -0.264 0.000 0.953 357 L HN 0.127 nan 8.230 nan 0.000 0.454 358 E N 0.788 120.871 120.200 -0.195 0.000 2.190 358 E HA 0.093 4.443 4.350 -0.000 0.000 0.191 358 E C 0.081 176.562 176.600 -0.199 0.000 0.978 358 E CA 0.365 56.674 56.400 -0.152 0.000 0.839 358 E CB 0.483 30.133 29.700 -0.083 0.000 0.787 358 E HN 0.285 nan 8.360 nan 0.000 0.473 359 V N 1.714 121.505 119.914 -0.205 0.000 2.327 359 V HA 0.106 4.226 4.120 -0.000 0.000 0.272 359 V C 0.395 176.323 176.094 -0.276 0.000 1.019 359 V CA -0.177 61.984 62.300 -0.232 0.000 0.814 359 V CB 1.433 33.200 31.823 -0.095 0.000 1.040 359 V HN 0.053 nan 8.190 nan 0.000 0.440 360 S N 3.863 119.255 115.700 -0.513 0.000 2.461 360 S HA 0.259 4.729 4.470 -0.000 0.000 0.228 360 S C 0.271 174.848 174.600 -0.038 0.000 1.005 360 S CA 0.998 58.955 58.200 -0.404 0.000 0.942 360 S CB -0.056 62.872 63.200 -0.455 0.000 0.776 360 S HN 0.813 nan 8.310 nan 0.000 0.514 361 F N -2.906 117.127 119.950 0.139 0.000 2.926 361 F HA 0.736 5.263 4.527 -0.000 0.000 0.321 361 F C -0.168 175.757 175.800 0.208 0.000 1.168 361 F CA -1.222 56.920 58.000 0.236 0.000 0.890 361 F CB 0.662 39.782 39.000 0.201 0.000 1.357 361 F HN -0.096 nan 8.300 nan 0.000 0.468 362 G N -0.399 108.854 108.800 0.755 0.000 2.975 362 G HA2 0.553 4.513 3.960 -0.000 0.000 0.291 362 G HA3 0.553 4.513 3.960 -0.000 0.000 0.291 362 G C -2.236 172.963 174.900 0.500 0.000 1.334 362 G CA -1.053 44.362 45.100 0.525 0.000 0.843 362 G HN 0.690 nan 8.290 nan 0.000 0.548 363 Q N -0.406 119.674 119.800 0.466 0.000 2.303 363 Q HA 0.302 4.642 4.340 -0.000 0.000 0.257 363 Q C -0.227 175.953 176.000 0.299 0.000 0.941 363 Q CA -0.499 55.479 55.803 0.292 0.000 0.931 363 Q CB 1.980 30.831 28.738 0.188 0.000 1.215 363 Q HN 0.510 nan 8.270 nan 0.000 0.437 364 C N 5.916 125.296 119.300 0.134 0.000 2.409 364 C HA 0.005 4.464 4.460 -0.000 0.000 0.399 364 C C -1.124 173.920 174.990 0.091 0.000 1.505 364 C CA -1.112 57.938 59.018 0.053 0.000 1.435 364 C CB -0.360 27.409 27.740 0.049 0.000 2.462 364 C HN 0.710 nan 8.230 nan 0.000 0.619 365 P HA -0.043 nan 4.420 nan 0.000 0.234 365 P C 0.469 177.599 177.300 -0.283 0.000 1.162 365 P CA 1.569 64.597 63.100 -0.119 0.000 0.759 365 P CB -0.075 31.434 31.700 -0.318 0.000 0.813 366 F N -1.765 118.127 119.950 -0.097 0.000 2.532 366 F HA 0.075 4.602 4.527 -0.000 0.000 0.278 366 F C 2.230 178.005 175.800 -0.043 0.000 0.975 366 F CA 0.277 58.235 58.000 -0.070 0.000 1.292 366 F CB -0.550 38.397 39.000 -0.088 0.000 1.112 366 F HN -0.027 nan 8.300 nan 0.000 0.703 367 C N -1.180 118.212 119.300 0.154 0.000 3.183 367 C HA 0.433 4.893 4.460 -0.000 0.000 0.285 367 C C 1.024 176.041 174.990 0.046 0.000 1.313 367 C CA -0.745 58.318 59.018 0.075 0.000 1.711 367 C CB -0.028 27.745 27.740 0.055 0.000 2.135 367 C HN 0.512 nan 8.230 nan 0.000 0.651 368 K N -0.205 120.228 120.400 0.054 0.000 3.553 368 K HA -0.172 4.148 4.320 -0.000 0.000 0.303 368 K C 0.690 177.305 176.600 0.024 0.000 1.327 368 K CA 1.182 57.495 56.287 0.044 0.000 0.983 368 K CB -2.586 29.930 32.500 0.026 0.000 1.275 368 K HN 0.950 nan 8.250 nan 0.000 0.453 369 A N 2.140 124.969 122.820 0.015 0.000 2.455 369 A HA 0.157 4.477 4.320 -0.000 0.000 0.244 369 A C 0.414 177.973 177.584 -0.042 0.000 1.099 369 A CA 0.293 52.319 52.037 -0.018 0.000 0.786 369 A CB 0.095 19.092 19.000 -0.005 0.000 1.051 369 A HN 0.230 nan 8.150 nan 0.000 0.508 370 K N -0.415 119.916 120.400 -0.116 0.000 2.412 370 K HA 0.291 4.611 4.320 -0.000 0.000 0.281 370 K C -0.964 175.660 176.600 0.041 0.000 1.027 370 K CA -0.136 56.025 56.287 -0.210 0.000 0.989 370 K CB 0.320 32.612 32.500 -0.346 0.000 0.935 370 K HN 0.367 nan 8.250 nan 0.000 0.475 371 L N 2.428 123.774 121.223 0.206 0.000 2.345 371 L HA 0.168 4.508 4.340 -0.000 0.000 0.274 371 L C -0.286 176.916 176.870 0.554 0.000 0.999 371 L CA -0.216 54.820 54.840 0.327 0.000 0.849 371 L CB 1.452 43.647 42.059 0.226 0.000 1.220 371 L HN 0.665 nan 8.230 nan 0.000 0.422 372 S N 2.199 118.227 115.700 0.547 0.000 2.563 372 S HA 0.015 4.485 4.470 -0.000 0.000 0.294 372 S C 1.395 176.401 174.600 0.676 0.000 1.279 372 S CA 0.498 59.032 58.200 0.555 0.000 1.069 372 S CB 0.292 63.729 63.200 0.395 0.000 0.828 372 S HN 0.864 nan 8.310 nan 0.000 0.497 373 T N 1.633 116.535 114.554 0.580 0.000 3.194 373 T HA 0.001 4.351 4.350 -0.000 0.000 0.251 373 T C 1.743 176.593 174.700 0.251 0.000 1.132 373 T CA 0.559 62.986 62.100 0.545 0.000 1.028 373 T CB -0.582 68.561 68.868 0.458 0.000 0.976 373 T HN 0.704 nan 8.240 nan 0.000 0.535 374 S N 0.537 116.350 115.700 0.188 0.000 2.442 374 S HA -0.047 4.423 4.470 -0.000 0.000 0.236 374 S C 1.437 175.843 174.600 -0.323 0.000 1.007 374 S CA 0.257 58.374 58.200 -0.139 0.000 0.965 374 S CB -1.086 62.007 63.200 -0.178 0.000 0.773 374 S HN 0.546 nan 8.310 nan 0.000 0.504 375 F N 2.178 122.030 119.950 -0.164 0.000 2.365 375 F HA 0.221 4.748 4.527 -0.000 0.000 0.300 375 F C 2.684 178.109 175.800 -0.626 0.000 1.090 375 F CA 0.461 58.273 58.000 -0.313 0.000 1.408 375 F CB -0.563 38.354 39.000 -0.139 0.000 1.060 375 F HN 0.305 nan 8.300 nan 0.000 0.534 376 A N 0.189 122.582 122.820 -0.712 0.000 2.186 376 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 376 A C 2.339 179.752 177.584 -0.285 0.000 1.159 376 A CA 1.377 53.050 52.037 -0.607 0.000 0.680 376 A CB -0.998 17.781 19.000 -0.367 0.000 0.787 376 A HN 0.311 nan 8.150 nan 0.000 0.467 377 A N -0.324 122.338 122.820 -0.264 0.000 2.067 377 A HA 0.067 4.387 4.320 -0.000 0.000 0.219 377 A C 1.940 179.432 177.584 -0.154 0.000 1.158 377 A CA 1.168 53.081 52.037 -0.207 0.000 0.661 377 A CB -0.426 18.428 19.000 -0.242 0.000 0.801 377 A HN 0.502 nan 8.150 nan 0.000 0.452 378 L N -0.518 120.621 121.223 -0.139 0.000 2.395 378 L HA 0.044 4.384 4.340 -0.000 0.000 0.218 378 L C 1.123 177.951 176.870 -0.070 0.000 1.130 378 L CA -0.090 54.694 54.840 -0.093 0.000 0.826 378 L CB -0.534 41.497 42.059 -0.046 0.000 0.941 378 L HN 0.322 nan 8.230 nan 0.000 0.451 379 L N 0.253 121.433 121.223 -0.071 0.000 2.506 379 L HA 0.032 4.372 4.340 -0.000 0.000 0.199 379 L C 1.694 178.542 176.870 -0.036 0.000 1.178 379 L CA 0.627 55.448 54.840 -0.032 0.000 0.868 379 L CB -0.071 41.983 42.059 -0.008 0.000 1.451 379 L HN 0.425 nan 8.230 nan 0.000 0.526 380 N N -1.144 117.546 118.700 -0.017 0.000 1.978 380 N HA -0.296 4.444 4.740 -0.000 0.000 0.217 380 N C 0.126 175.625 175.510 -0.018 0.000 0.677 380 N CA 1.903 54.944 53.050 -0.016 0.000 4.021 380 N CB -1.223 37.250 38.487 -0.023 0.000 0.740 380 N HN 0.733 nan 8.380 nan 0.000 0.276 381 D N 0.000 120.383 120.400 -0.029 0.000 6.856 381 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 381 D CA 0.000 53.984 54.000 -0.027 0.000 0.868 381 D CB 0.000 40.780 40.800 -0.034 0.000 0.688 381 D HN 0.000 nan 8.370 nan 0.000 0.683