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 1fzi_1_C DATA FIRST_RESID 6 DATA SEQUENCE ERRRGLTDPE MAAVILKALP EAPLDGNNKM GYFVTPRWKR LTEYEALTVY DATA SEQUENCE AQPNADWIAG GLDWGDWTQK FHGGRPSWGN ETTELRTVDW FKHRDPLRRW DATA SEQUENCE HAPYVKDKAE EWRYTDRFLQ GYSADGQIRA MNPTWRDEFI NRYWGAFLFN DATA SEQUENCE EYGLFNAHSQ GAREALSDVT RVSLAFWGFD KIDIAQMIQL ERGFLAKIVP DATA SEQUENCE GFDESTAVPK AEWTNGEVYK SARLAVEGLW QEVFDWNESA FSVHAVYDAL DATA SEQUENCE FGQFVRREFF QRLAPRFGDN LTPFFINQAQ TYFQIAKQGV QDLYYNCLGD DATA SEQUENCE DPEFSDYNRT VMRNWTGKWL EPTIAALRDF MGLFAKLPAG TTDKEEITAS DATA SEQUENCE LYRVVDDWIE DYASRIDFKA DRDQIVKAVL AGLK 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 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.603 176.600 0.005 0.000 1.382 6 E CA 0.000 56.403 56.400 0.005 0.000 0.976 6 E CB 0.000 29.703 29.700 0.005 0.000 0.812 7 R N 1.738 122.241 120.500 0.005 0.000 2.446 7 R HA 0.165 4.506 4.340 0.002 0.000 0.325 7 R C -0.483 175.821 176.300 0.006 0.000 0.997 7 R CA 0.222 56.326 56.100 0.006 0.000 1.010 7 R CB 0.066 30.370 30.300 0.006 0.000 0.946 7 R HN 0.243 nan 8.270 nan 0.000 0.422 8 R N 4.129 124.632 120.500 0.006 0.000 2.312 8 R HA 0.295 4.636 4.340 0.002 0.000 0.311 8 R C -0.261 176.042 176.300 0.006 0.000 1.004 8 R CA -0.535 55.569 56.100 0.006 0.000 0.902 8 R CB 1.504 31.807 30.300 0.005 0.000 1.073 8 R HN 0.489 nan 8.270 nan 0.000 0.457 9 R N 1.105 121.609 120.500 0.007 0.000 2.407 9 R HA 0.192 4.534 4.340 0.002 0.000 0.303 9 R C 1.119 177.423 176.300 0.007 0.000 0.981 9 R CA -0.444 55.660 56.100 0.007 0.000 0.905 9 R CB 1.560 31.865 30.300 0.008 0.000 1.099 9 R HN 0.867 nan 8.270 nan 0.000 0.459 10 G N 2.048 110.852 108.800 0.007 0.000 2.462 10 G HA2 -0.230 3.731 3.960 0.002 0.000 0.220 10 G HA3 -0.230 3.731 3.960 0.002 0.000 0.220 10 G C 1.088 175.992 174.900 0.007 0.000 1.121 10 G CA 0.461 45.565 45.100 0.007 0.000 0.758 10 G HN 0.446 nan 8.290 nan 0.000 0.559 11 L N 1.128 122.356 121.223 0.008 0.000 2.270 11 L HA 0.150 4.491 4.340 0.002 0.000 0.210 11 L C 2.725 179.599 176.870 0.008 0.000 1.104 11 L CA 2.309 57.154 54.840 0.008 0.000 0.804 11 L CB -0.043 42.022 42.059 0.009 0.000 0.937 11 L HN 0.287 nan 8.230 nan 0.000 0.450 12 T N -5.372 109.187 114.554 0.007 0.000 2.969 12 T HA 0.126 4.478 4.350 0.002 0.000 0.250 12 T C 0.598 175.302 174.700 0.006 0.000 1.021 12 T CA -0.059 62.045 62.100 0.007 0.000 1.003 12 T CB -0.425 68.448 68.868 0.007 0.000 1.040 12 T HN 0.224 nan 8.240 nan 0.000 0.492 13 D N 3.130 123.533 120.400 0.006 0.000 2.371 13 D HA 0.246 4.887 4.640 0.002 0.000 0.256 13 D C -1.491 174.812 176.300 0.005 0.000 1.193 13 D CA -1.853 52.151 54.000 0.005 0.000 0.881 13 D CB 1.393 42.196 40.800 0.005 0.000 1.143 13 D HN -0.026 nan 8.370 nan 0.000 0.473 14 P HA -0.218 nan 4.420 nan 0.000 0.215 14 P C 1.020 178.322 177.300 0.004 0.000 1.163 14 P CA 1.025 64.128 63.100 0.004 0.000 0.894 14 P CB 0.140 31.843 31.700 0.004 0.000 0.791 15 E N -0.838 119.364 120.200 0.004 0.000 2.051 15 E HA -0.183 4.168 4.350 0.002 0.000 0.192 15 E C 1.901 178.504 176.600 0.004 0.000 0.991 15 E CA 1.379 57.781 56.400 0.004 0.000 0.799 15 E CB -0.412 29.290 29.700 0.004 0.000 0.748 15 E HN 0.150 nan 8.360 nan 0.000 0.449 16 M N 0.220 119.823 119.600 0.004 0.000 2.132 16 M HA -0.099 4.382 4.480 0.002 0.000 0.263 16 M C 2.454 178.757 176.300 0.005 0.000 1.065 16 M CA 1.515 56.818 55.300 0.005 0.000 1.122 16 M CB -0.131 32.471 32.600 0.005 0.000 1.365 16 M HN 0.164 nan 8.290 nan 0.000 0.411 17 A N 0.449 123.272 122.820 0.005 0.000 1.933 17 A HA -0.035 4.286 4.320 0.002 0.000 0.218 17 A C 2.384 179.971 177.584 0.005 0.000 1.175 17 A CA 1.812 53.852 52.037 0.005 0.000 0.628 17 A CB -0.949 18.055 19.000 0.006 0.000 0.814 17 A HN 0.484 nan 8.150 nan 0.000 0.444 18 A N -0.432 122.390 122.820 0.004 0.000 1.883 18 A HA -0.059 4.262 4.320 0.002 0.000 0.217 18 A C 2.243 179.829 177.584 0.004 0.000 1.186 18 A CA 1.947 53.987 52.037 0.004 0.000 0.624 18 A CB -1.012 17.990 19.000 0.004 0.000 0.822 18 A HN 0.405 nan 8.150 nan 0.000 0.444 19 V N 0.113 120.029 119.914 0.004 0.000 2.295 19 V HA -0.284 3.837 4.120 0.002 0.000 0.246 19 V C 2.439 178.535 176.094 0.004 0.000 1.049 19 V CA 2.116 64.418 62.300 0.004 0.000 1.024 19 V CB -0.707 31.118 31.823 0.004 0.000 0.648 19 V HN 0.577 nan 8.190 nan 0.000 0.447 20 I N -0.757 119.815 120.570 0.004 0.000 2.127 20 I HA -0.252 3.919 4.170 0.002 0.000 0.241 20 I C 2.362 178.482 176.117 0.004 0.000 1.075 20 I CA 1.283 62.585 61.300 0.005 0.000 1.334 20 I CB -0.436 37.567 38.000 0.005 0.000 1.040 20 I HN 0.243 nan 8.210 nan 0.000 0.405 21 L N 0.880 122.106 121.223 0.004 0.000 2.043 21 L HA -0.263 4.078 4.340 0.002 0.000 0.212 21 L C 2.431 179.303 176.870 0.004 0.000 1.075 21 L CA 1.794 56.636 54.840 0.004 0.000 0.752 21 L CB -1.094 40.968 42.059 0.004 0.000 0.891 21 L HN 0.242 nan 8.230 nan 0.000 0.432 22 K N -0.746 119.656 120.400 0.003 0.000 2.148 22 K HA -0.114 4.207 4.320 0.002 0.000 0.204 22 K C 1.853 178.455 176.600 0.003 0.000 1.050 22 K CA 1.216 57.504 56.287 0.003 0.000 0.942 22 K CB 0.034 32.536 32.500 0.003 0.000 0.724 22 K HN 0.290 nan 8.250 nan 0.000 0.446 23 A N 1.068 123.890 122.820 0.003 0.000 2.123 23 A HA 0.144 4.465 4.320 0.002 0.000 0.214 23 A C 0.830 178.416 177.584 0.003 0.000 1.152 23 A CA -0.022 52.017 52.037 0.003 0.000 0.728 23 A CB -0.167 18.835 19.000 0.003 0.000 0.814 23 A HN 0.204 nan 8.150 nan 0.000 0.464 24 L N 1.651 122.876 121.223 0.003 0.000 2.483 24 L HA 0.151 4.492 4.340 0.002 0.000 0.276 24 L C -1.602 175.269 176.870 0.002 0.000 1.213 24 L CA -1.356 53.485 54.840 0.003 0.000 0.843 24 L CB 0.084 42.145 42.059 0.004 0.000 1.107 24 L HN 0.251 nan 8.230 nan 0.000 0.487 25 P HA 0.102 nan 4.420 nan 0.000 0.276 25 P C 0.068 177.369 177.300 0.001 0.000 1.261 25 P CA -0.561 62.539 63.100 0.001 0.000 0.800 25 P CB 0.622 32.322 31.700 0.000 0.000 1.066 26 E N 0.332 120.532 120.200 -0.000 0.000 2.051 26 E HA -0.060 4.292 4.350 0.002 0.000 0.192 26 E C 0.596 177.196 176.600 -0.000 0.000 0.991 26 E CA 1.044 57.444 56.400 -0.000 0.000 0.799 26 E CB -0.622 29.077 29.700 -0.001 0.000 0.748 26 E HN 0.536 nan 8.360 nan 0.000 0.449 27 A N 0.896 123.716 122.820 -0.001 0.000 2.583 27 A HA 0.602 4.923 4.320 0.002 0.000 0.289 27 A C -2.750 174.832 177.584 -0.002 0.000 1.151 27 A CA -1.585 50.451 52.037 -0.002 0.000 0.695 27 A CB 0.866 19.864 19.000 -0.003 0.000 1.290 27 A HN -0.051 nan 8.150 nan 0.000 0.419 28 P HA 0.174 nan 4.420 nan 0.000 0.269 28 P C 0.405 177.701 177.300 -0.007 0.000 1.209 28 P CA -0.297 62.800 63.100 -0.004 0.000 0.776 28 P CB 0.335 32.032 31.700 -0.004 0.000 0.876 29 L N 1.086 122.305 121.223 -0.007 0.000 2.622 29 L HA 0.081 4.423 4.340 0.002 0.000 0.233 29 L C 0.562 177.423 176.870 -0.015 0.000 1.156 29 L CA 1.664 56.499 54.840 -0.009 0.000 0.866 29 L CB -1.460 40.596 42.059 -0.006 0.000 0.980 29 L HN 0.437 nan 8.230 nan 0.000 0.448 30 D N -2.093 118.295 120.400 -0.020 0.000 2.937 30 D HA 0.250 4.891 4.640 0.002 0.000 0.215 30 D C 0.827 177.105 176.300 -0.036 0.000 1.274 30 D CA 0.062 54.042 54.000 -0.033 0.000 0.869 30 D CB 1.930 42.706 40.800 -0.040 0.000 1.675 30 D HN -0.029 nan 8.370 nan 0.000 0.538 31 G N 2.256 111.030 108.800 -0.043 0.000 2.712 31 G HA2 -0.132 3.829 3.960 0.002 0.000 0.212 31 G HA3 -0.132 3.829 3.960 0.002 0.000 0.212 31 G C 0.834 175.702 174.900 -0.054 0.000 1.142 31 G CA -0.110 44.966 45.100 -0.039 0.000 0.789 31 G HN 0.375 nan 8.290 nan 0.000 0.535 32 N N 1.668 120.314 118.700 -0.089 0.000 2.739 32 N HA 0.009 4.750 4.740 0.002 0.000 0.266 32 N C 0.840 176.305 175.510 -0.075 0.000 1.168 32 N CA -0.350 52.622 53.050 -0.131 0.000 1.055 32 N CB -0.748 37.565 38.487 -0.290 0.000 1.393 32 N HN 0.534 nan 8.380 nan 0.000 0.514 33 N N 0.888 119.571 118.700 -0.028 0.000 2.375 33 N HA -0.034 4.707 4.740 0.002 0.000 0.220 33 N C -0.108 175.424 175.510 0.036 0.000 1.170 33 N CA -0.305 52.748 53.050 0.006 0.000 0.833 33 N CB 0.210 38.701 38.487 0.007 0.000 1.069 33 N HN 0.193 nan 8.380 nan 0.000 0.479 34 K N 1.575 122.011 120.400 0.060 0.000 2.404 34 K HA 0.133 4.455 4.320 0.002 0.000 0.257 34 K C -0.306 176.417 176.600 0.205 0.000 1.026 34 K CA -0.779 55.572 56.287 0.108 0.000 0.951 34 K CB 0.762 33.325 32.500 0.105 0.000 1.203 34 K HN 0.082 nan 8.250 nan 0.000 0.446 35 M N 3.805 123.482 119.600 0.128 0.000 2.246 35 M HA 0.116 4.597 4.480 0.002 0.000 0.350 35 M C 0.608 176.927 176.300 0.032 0.000 1.406 35 M CA 1.864 57.236 55.300 0.121 0.000 1.089 35 M CB -0.173 32.457 32.600 0.050 0.000 1.782 35 M HN 1.010 nan 8.290 nan 0.000 0.457 36 G N 5.517 114.297 108.800 -0.032 0.000 2.157 36 G HA2 -0.352 3.609 3.960 0.002 0.000 0.248 36 G HA3 -0.352 3.609 3.960 0.002 0.000 0.248 36 G C 0.147 174.757 174.900 -0.483 0.000 0.979 36 G CA 0.692 45.549 45.100 -0.405 0.000 0.650 36 G HN 1.015 nan 8.290 nan 0.000 0.529 37 Y N 0.149 120.398 120.300 -0.085 0.000 2.298 37 Y HA -0.005 4.546 4.550 0.002 0.000 0.287 37 Y C 2.090 177.980 175.900 -0.017 0.000 1.164 37 Y CA 1.640 59.728 58.100 -0.020 0.000 1.229 37 Y CB -0.925 37.578 38.460 0.071 0.000 0.977 37 Y HN 0.655 nan 8.280 nan 0.000 0.538 38 F N -0.630 118.906 119.950 -0.690 0.000 2.789 38 F HA 0.415 4.943 4.527 0.002 0.000 0.300 38 F C 0.178 175.889 175.800 -0.148 0.000 1.132 38 F CA -1.078 56.679 58.000 -0.405 0.000 1.404 38 F CB -0.917 37.728 39.000 -0.593 0.000 1.114 38 F HN -0.174 nan 8.300 nan 0.000 0.584 39 V N 1.678 121.183 119.914 -0.681 0.000 2.614 39 V HA 0.093 4.214 4.120 0.002 0.000 0.291 39 V C 0.506 176.494 176.094 -0.178 0.000 1.049 39 V CA -0.448 61.624 62.300 -0.380 0.000 1.038 39 V CB 1.050 32.586 31.823 -0.478 0.000 0.980 39 V HN 0.247 nan 8.190 nan 0.000 0.481 40 T N 7.780 122.275 114.554 -0.098 0.000 2.752 40 T HA 0.239 4.590 4.350 0.002 0.000 0.295 40 T C -2.217 172.415 174.700 -0.114 0.000 0.923 40 T CA -0.549 61.508 62.100 -0.071 0.000 1.112 40 T CB 0.634 69.477 68.868 -0.041 0.000 0.884 40 T HN 0.510 nan 8.240 nan 0.000 0.525 41 P HA 0.258 nan 4.420 nan 0.000 0.271 41 P C 0.657 177.845 177.300 -0.187 0.000 1.216 41 P CA -0.538 62.506 63.100 -0.093 0.000 0.776 41 P CB 0.806 32.500 31.700 -0.010 0.000 0.881 42 R N 2.992 123.269 120.500 -0.371 0.000 2.100 42 R HA 0.063 4.404 4.340 0.002 0.000 0.220 42 R C 0.378 176.256 176.300 -0.704 0.000 1.091 42 R CA 1.316 56.984 56.100 -0.720 0.000 0.986 42 R CB -0.146 29.308 30.300 -1.410 0.000 0.888 42 R HN 0.501 nan 8.270 nan 0.000 0.444 43 W N 1.388 122.702 121.300 0.024 0.000 2.639 43 W HA 0.217 4.878 4.660 0.002 0.000 0.465 43 W C 1.466 177.997 176.519 0.020 0.000 1.742 43 W CA -0.598 56.762 57.345 0.025 0.000 1.798 43 W CB -0.326 29.153 29.460 0.031 0.000 1.950 43 W HN -0.067 nan 8.180 nan 0.000 0.713 44 K N 1.541 122.113 120.400 0.286 0.000 2.015 44 K HA -0.172 4.149 4.320 0.002 0.000 0.216 44 K C 0.429 177.104 176.600 0.125 0.000 1.052 44 K CA 1.473 57.854 56.287 0.157 0.000 0.937 44 K CB -0.588 31.989 32.500 0.129 0.000 0.719 44 K HN 0.407 nan 8.250 nan 0.000 0.446 45 R N -0.261 120.327 120.500 0.147 0.000 2.854 45 R HA 0.413 4.754 4.340 0.002 0.000 0.271 45 R C -0.820 175.561 176.300 0.135 0.000 0.994 45 R CA -1.227 54.938 56.100 0.110 0.000 0.945 45 R CB 1.179 31.530 30.300 0.085 0.000 1.194 45 R HN 0.063 nan 8.270 nan 0.000 0.476 46 L N 1.707 122.982 121.223 0.087 0.000 2.525 46 L HA 0.063 4.404 4.340 0.002 0.000 0.278 46 L C 0.066 176.996 176.870 0.100 0.000 1.218 46 L CA 0.974 55.857 54.840 0.073 0.000 0.878 46 L CB 0.612 42.675 42.059 0.007 0.000 1.127 46 L HN 0.827 nan 8.230 nan 0.000 0.492 47 T N 0.204 114.846 114.554 0.147 0.000 2.944 47 T HA 0.307 4.659 4.350 0.002 0.000 0.284 47 T C 0.783 175.524 174.700 0.068 0.000 1.010 47 T CA -0.127 62.064 62.100 0.151 0.000 1.025 47 T CB 1.131 70.163 68.868 0.273 0.000 1.079 47 T HN 0.753 nan 8.240 nan 0.000 0.516 48 E N -0.100 120.133 120.200 0.055 0.000 2.051 48 E HA -0.197 4.154 4.350 0.002 0.000 0.192 48 E C 1.671 178.151 176.600 -0.201 0.000 0.991 48 E CA 1.125 57.479 56.400 -0.077 0.000 0.799 48 E CB -0.369 29.323 29.700 -0.012 0.000 0.748 48 E HN 0.755 nan 8.360 nan 0.000 0.449 49 Y N 1.677 121.898 120.300 -0.132 0.000 2.069 49 Y HA -0.301 4.250 4.550 0.002 0.000 0.278 49 Y C 1.800 177.635 175.900 -0.107 0.000 1.175 49 Y CA 2.464 60.513 58.100 -0.086 0.000 1.134 49 Y CB -0.388 38.184 38.460 0.185 0.000 0.965 49 Y HN 0.107 nan 8.280 nan 0.000 0.498 50 E N 0.117 120.164 120.200 -0.256 0.000 2.047 50 E HA -0.157 4.194 4.350 0.002 0.000 0.191 50 E C 2.455 178.845 176.600 -0.349 0.000 0.987 50 E CA 1.012 57.176 56.400 -0.393 0.000 0.799 50 E CB -0.432 29.176 29.700 -0.153 0.000 0.752 50 E HN 0.584 nan 8.360 nan 0.000 0.449 51 A N 1.299 123.965 122.820 -0.258 0.000 1.883 51 A HA -0.180 4.141 4.320 0.002 0.000 0.217 51 A C 2.161 179.584 177.584 -0.269 0.000 1.186 51 A CA 1.274 53.163 52.037 -0.246 0.000 0.624 51 A CB -0.711 18.182 19.000 -0.177 0.000 0.822 51 A HN 0.159 nan 8.150 nan 0.000 0.444 52 L N -0.941 120.075 121.223 -0.345 0.000 2.478 52 L HA -0.042 4.300 4.340 0.002 0.000 0.223 52 L C 2.088 178.796 176.870 -0.271 0.000 1.140 52 L CA 1.240 55.873 54.840 -0.344 0.000 0.842 52 L CB -0.379 41.334 42.059 -0.576 0.000 0.953 52 L HN 0.385 nan 8.230 nan 0.000 0.452 53 T N -1.833 112.528 114.554 -0.320 0.000 3.114 53 T HA 0.118 4.469 4.350 0.002 0.000 0.240 53 T C 0.749 175.300 174.700 -0.247 0.000 0.983 53 T CA -0.164 61.768 62.100 -0.280 0.000 1.151 53 T CB 0.262 68.891 68.868 -0.398 0.000 0.974 53 T HN -0.135 nan 8.240 nan 0.000 0.442 54 V N 3.443 123.154 119.914 -0.338 0.000 2.493 54 V HA 0.061 4.182 4.120 0.002 0.000 0.292 54 V C 0.205 176.080 176.094 -0.365 0.000 1.016 54 V CA 0.311 62.359 62.300 -0.419 0.000 1.097 54 V CB -1.206 30.260 31.823 -0.594 0.000 0.947 54 V HN 0.658 nan 8.190 nan 0.000 0.479 55 Y N 1.404 121.573 120.300 -0.218 0.000 4.912 55 Y HA -0.283 4.268 4.550 0.002 0.000 0.252 55 Y C 1.674 177.526 175.900 -0.080 0.000 0.965 55 Y CA 0.554 58.473 58.100 -0.301 0.000 1.978 55 Y CB -2.200 36.092 38.460 -0.280 0.000 1.477 55 Y HN 0.660 nan 8.280 nan 0.000 0.606 56 A N 0.010 122.871 122.820 0.069 0.000 1.969 56 A HA -0.144 4.177 4.320 0.002 0.000 0.218 56 A C 1.383 179.020 177.584 0.089 0.000 1.169 56 A CA 1.321 53.389 52.037 0.052 0.000 0.635 56 A CB -0.240 18.757 19.000 -0.005 0.000 0.810 56 A HN 0.533 nan 8.150 nan 0.000 0.445 57 Q N 0.980 120.852 119.800 0.120 0.000 2.286 57 Q HA 0.152 4.493 4.340 0.002 0.000 0.267 57 Q C -2.134 173.997 176.000 0.218 0.000 1.028 57 Q CA -1.656 54.194 55.803 0.078 0.000 0.901 57 Q CB 0.754 29.420 28.738 -0.120 0.000 1.183 57 Q HN 0.249 nan 8.270 nan 0.000 0.392 58 P HA 0.042 nan 4.420 nan 0.000 0.237 58 P C -1.035 176.478 177.300 0.355 0.000 1.723 58 P CA -0.142 63.135 63.100 0.294 0.000 0.882 58 P CB -0.021 31.869 31.700 0.316 0.000 1.810 59 N N 1.090 119.978 118.700 0.313 0.000 2.518 59 N HA 0.267 5.008 4.740 0.002 0.000 0.266 59 N C 0.554 176.004 175.510 -0.100 0.000 1.196 59 N CA 0.036 53.180 53.050 0.156 0.000 0.947 59 N CB 0.678 39.270 38.487 0.174 0.000 1.098 59 N HN 0.199 nan 8.380 nan 0.000 0.450 60 A N 0.698 123.258 122.820 -0.434 0.000 2.257 60 A HA 0.199 4.520 4.320 0.002 0.000 0.289 60 A C 0.914 178.354 177.584 -0.241 0.000 1.095 60 A CA -0.495 51.336 52.037 -0.344 0.000 0.836 60 A CB 0.222 18.993 19.000 -0.382 0.000 1.111 60 A HN 0.754 nan 8.150 nan 0.000 0.497 61 D N -0.015 120.384 120.400 -0.003 0.000 2.315 61 D HA -0.224 4.417 4.640 0.002 0.000 0.211 61 D C 1.284 177.678 176.300 0.157 0.000 0.977 61 D CA 1.627 55.685 54.000 0.096 0.000 0.894 61 D CB -0.427 40.461 40.800 0.147 0.000 0.910 61 D HN 0.802 nan 8.370 nan 0.000 0.490 62 W N 0.488 121.836 121.300 0.080 0.000 3.077 62 W HA 0.297 4.958 4.660 0.002 0.000 0.245 62 W C -0.152 176.454 176.519 0.144 0.000 1.316 62 W CA -0.644 56.756 57.345 0.092 0.000 1.537 62 W CB -0.559 28.934 29.460 0.055 0.000 1.131 62 W HN -0.120 nan 8.180 nan 0.000 0.695 63 I N 1.956 122.473 120.570 -0.088 0.000 2.382 63 I HA 0.356 4.527 4.170 0.002 0.000 0.285 63 I C 0.684 176.922 176.117 0.201 0.000 1.007 63 I CA -1.101 60.216 61.300 0.029 0.000 1.142 63 I CB 1.390 39.284 38.000 -0.176 0.000 1.289 63 I HN -0.158 nan 8.210 nan 0.000 0.453 64 A N 4.916 127.929 122.820 0.323 0.000 2.573 64 A HA 0.254 4.575 4.320 0.002 0.000 0.266 64 A C 1.401 179.174 177.584 0.315 0.000 1.007 64 A CA 1.234 53.434 52.037 0.271 0.000 0.878 64 A CB -0.758 18.320 19.000 0.130 0.000 0.886 64 A HN 1.352 nan 8.150 nan 0.000 0.507 65 G N 1.804 110.778 108.800 0.290 0.000 2.194 65 G HA2 0.033 3.994 3.960 0.002 0.000 0.236 65 G HA3 0.033 3.994 3.960 0.002 0.000 0.236 65 G C 0.994 176.172 174.900 0.462 0.000 0.987 65 G CA 0.334 45.675 45.100 0.402 0.000 0.635 65 G HN 2.147 nan 8.290 nan 0.000 0.520 66 G N -0.394 108.626 108.800 0.367 0.000 2.441 66 G HA2 0.507 4.468 3.960 0.002 0.000 0.243 66 G HA3 0.507 4.468 3.960 0.002 0.000 0.243 66 G C 0.770 175.706 174.900 0.059 0.000 1.281 66 G CA -0.148 45.107 45.100 0.258 0.000 0.854 66 G HN 0.365 nan 8.290 nan 0.000 0.560 67 L N 1.186 122.364 121.223 -0.075 0.000 2.529 67 L HA 0.219 4.560 4.340 0.002 0.000 0.223 67 L C 1.348 178.168 176.870 -0.083 0.000 1.113 67 L CA 0.272 55.013 54.840 -0.165 0.000 0.861 67 L CB -0.461 41.350 42.059 -0.413 0.000 1.012 67 L HN 0.479 nan 8.230 nan 0.000 0.461 68 D N -0.864 119.492 120.400 -0.073 0.000 2.447 68 D HA 0.157 4.798 4.640 0.002 0.000 0.265 68 D C -0.592 175.724 176.300 0.026 0.000 1.250 68 D CA -0.251 53.693 54.000 -0.094 0.000 1.046 68 D CB 1.033 41.717 40.800 -0.194 0.000 1.095 68 D HN 0.043 nan 8.370 nan 0.000 0.555 69 W N -1.209 120.066 121.300 -0.042 0.000 3.083 69 W HA 0.512 5.174 4.660 0.002 0.000 0.333 69 W C -0.167 176.366 176.519 0.022 0.000 1.217 69 W CA -0.799 56.554 57.345 0.012 0.000 1.170 69 W CB 0.117 29.581 29.460 0.007 0.000 1.437 69 W HN 0.776 nan 8.180 nan 0.000 0.557 70 G N 1.472 110.518 108.800 0.410 0.000 2.756 70 G HA2 -0.184 3.777 3.960 0.002 0.000 0.678 70 G HA3 -0.184 3.777 3.960 0.002 0.000 0.678 70 G C -0.941 174.034 174.900 0.124 0.000 1.349 70 G CA -0.188 45.059 45.100 0.245 0.000 0.847 70 G HN 0.805 nan 8.290 nan 0.000 0.548 71 D N -0.795 119.621 120.400 0.027 0.000 2.398 71 D HA 0.447 5.088 4.640 0.002 0.000 0.247 71 D C 0.691 176.966 176.300 -0.041 0.000 1.227 71 D CA -0.333 53.664 54.000 -0.005 0.000 0.980 71 D CB 0.368 41.163 40.800 -0.008 0.000 1.106 71 D HN 0.423 nan 8.370 nan 0.000 0.493 72 W N -0.551 120.890 121.300 0.235 0.000 2.093 72 W HA 0.080 4.741 4.660 0.002 0.000 0.352 72 W C 2.027 178.569 176.519 0.039 0.000 1.294 72 W CA -0.199 57.218 57.345 0.120 0.000 1.290 72 W CB 0.469 30.003 29.460 0.122 0.000 1.149 72 W HN 0.380 nan 8.180 nan 0.000 0.606 73 T N -1.948 112.772 114.554 0.276 0.000 3.014 73 T HA -0.072 4.279 4.350 0.002 0.000 0.263 73 T C 0.395 175.142 174.700 0.079 0.000 1.078 73 T CA 0.596 62.767 62.100 0.119 0.000 1.135 73 T CB 0.112 69.020 68.868 0.067 0.000 0.895 73 T HN 0.473 nan 8.240 nan 0.000 0.480 74 Q N 0.159 120.003 119.800 0.074 0.000 2.271 74 Q HA 0.468 4.809 4.340 0.002 0.000 0.268 74 Q C -1.588 174.399 176.000 -0.020 0.000 1.021 74 Q CA -0.778 55.019 55.803 -0.010 0.000 0.802 74 Q CB 1.784 30.475 28.738 -0.078 0.000 1.282 74 Q HN 0.259 nan 8.270 nan 0.000 0.431 75 K N 1.816 122.217 120.400 0.002 0.000 2.354 75 K HA 0.494 4.815 4.320 0.002 0.000 0.238 75 K C -0.702 175.904 176.600 0.011 0.000 1.068 75 K CA -0.763 55.563 56.287 0.064 0.000 0.925 75 K CB 0.890 33.498 32.500 0.180 0.000 1.286 75 K HN 0.315 nan 8.250 nan 0.000 0.500 76 F N 1.126 121.054 119.950 -0.036 0.000 2.403 76 F HA 0.085 4.613 4.527 0.002 0.000 0.320 76 F C 1.293 177.098 175.800 0.009 0.000 1.176 76 F CA -0.070 57.926 58.000 -0.006 0.000 1.206 76 F CB 0.311 39.321 39.000 0.017 0.000 1.235 76 F HN 0.248 nan 8.300 nan 0.000 0.565 77 H N 1.054 120.233 119.070 0.182 0.000 3.004 77 H HA 0.190 4.747 4.556 0.002 0.000 0.316 77 H C 1.089 176.485 175.328 0.113 0.000 1.014 77 H CA 1.423 57.535 56.048 0.107 0.000 1.454 77 H CB 0.247 30.054 29.762 0.076 0.000 1.472 77 H HN 0.863 nan 8.280 nan 0.000 0.571 78 G N 2.241 111.141 108.800 0.167 0.000 2.307 78 G HA2 -0.254 3.707 3.960 0.002 0.000 0.210 78 G HA3 -0.254 3.707 3.960 0.002 0.000 0.210 78 G C 0.951 175.902 174.900 0.086 0.000 1.005 78 G CA 0.157 45.323 45.100 0.111 0.000 0.634 78 G HN 1.262 nan 8.290 nan 0.000 0.496 79 G N -0.595 108.271 108.800 0.110 0.000 2.184 79 G HA2 -0.156 3.806 3.960 0.002 0.000 0.206 79 G HA3 -0.156 3.806 3.960 0.002 0.000 0.206 79 G C 0.270 175.251 174.900 0.135 0.000 0.995 79 G CA 1.019 46.181 45.100 0.104 0.000 0.651 79 G HN 0.908 nan 8.290 nan 0.000 0.511 80 R N 1.883 122.458 120.500 0.125 0.000 2.537 80 R HA 0.219 4.560 4.340 0.002 0.000 0.281 80 R C -1.851 174.587 176.300 0.230 0.000 0.988 80 R CA -0.374 55.767 56.100 0.068 0.000 1.077 80 R CB 0.373 30.531 30.300 -0.236 0.000 0.932 80 R HN 0.227 nan 8.270 nan 0.000 0.409 81 P HA 0.040 nan 4.420 nan 0.000 0.274 81 P C -0.033 177.383 177.300 0.192 0.000 1.237 81 P CA -0.203 63.156 63.100 0.431 0.000 0.793 81 P CB 0.910 33.053 31.700 0.739 0.000 0.977 82 S N 0.104 115.654 115.700 -0.250 0.000 2.359 82 S HA -0.087 4.384 4.470 0.002 0.000 0.223 82 S C 0.453 174.632 174.600 -0.702 0.000 1.039 82 S CA 1.143 58.895 58.200 -0.748 0.000 1.042 82 S CB -0.322 61.896 63.200 -1.637 0.000 0.915 82 S HN 0.549 nan 8.310 nan 0.000 0.439 83 W N -0.067 121.013 121.300 -0.367 0.000 2.936 83 W HA 0.638 5.299 4.660 0.002 0.000 0.338 83 W C 0.155 176.800 176.519 0.211 0.000 1.121 83 W CA -0.891 56.394 57.345 -0.099 0.000 1.209 83 W CB 1.463 30.821 29.460 -0.171 0.000 1.420 83 W HN 0.226 nan 8.180 nan 0.000 0.516 84 G N 1.135 110.160 108.800 0.374 0.000 2.623 84 G HA2 0.123 4.084 3.960 0.002 0.000 0.290 84 G HA3 0.123 4.084 3.960 0.002 0.000 0.290 84 G C 0.131 175.198 174.900 0.280 0.000 1.437 84 G CA -0.628 44.709 45.100 0.394 0.000 0.798 84 G HN 0.343 nan 8.290 nan 0.000 0.488 85 N N 0.258 119.153 118.700 0.325 0.000 2.289 85 N HA -0.118 4.624 4.740 0.002 0.000 0.184 85 N C 1.941 177.597 175.510 0.244 0.000 1.016 85 N CA 1.453 54.671 53.050 0.280 0.000 0.872 85 N CB 0.077 38.742 38.487 0.297 0.000 0.973 85 N HN 0.881 nan 8.380 nan 0.000 0.433 86 E N 0.952 121.293 120.200 0.235 0.000 2.463 86 E HA -0.107 4.244 4.350 0.002 0.000 0.201 86 E C 0.947 177.654 176.600 0.180 0.000 1.045 86 E CA 1.147 57.657 56.400 0.185 0.000 0.872 86 E CB -0.407 29.387 29.700 0.157 0.000 0.797 86 E HN 0.306 nan 8.360 nan 0.000 0.538 87 T N -2.406 112.282 114.554 0.222 0.000 3.129 87 T HA 0.077 4.428 4.350 0.002 0.000 0.251 87 T C 0.449 175.315 174.700 0.277 0.000 1.117 87 T CA 0.323 62.580 62.100 0.261 0.000 1.034 87 T CB 0.588 69.642 68.868 0.311 0.000 0.968 87 T HN 0.088 nan 8.240 nan 0.000 0.526 88 T N -0.121 114.552 114.554 0.198 0.000 2.942 88 T HA 0.290 4.641 4.350 0.002 0.000 0.327 88 T C -0.033 174.779 174.700 0.187 0.000 1.360 88 T CA -0.596 61.557 62.100 0.089 0.000 1.055 88 T CB 1.863 70.592 68.868 -0.232 0.000 1.261 88 T HN -0.083 nan 8.240 nan 0.000 0.485 89 E N 2.040 122.390 120.200 0.251 0.000 2.208 89 E HA 0.095 4.446 4.350 0.002 0.000 0.193 89 E C 0.757 177.525 176.600 0.281 0.000 0.988 89 E CA 0.455 57.021 56.400 0.276 0.000 0.828 89 E CB -0.020 29.858 29.700 0.297 0.000 0.763 89 E HN 0.574 nan 8.360 nan 0.000 0.478 90 L N 2.119 123.481 121.223 0.233 0.000 2.456 90 L HA 0.091 4.432 4.340 0.002 0.000 0.272 90 L C 0.790 177.782 176.870 0.203 0.000 1.189 90 L CA 0.227 55.184 54.840 0.195 0.000 0.846 90 L CB 0.254 42.403 42.059 0.151 0.000 1.111 90 L HN -0.170 nan 8.230 nan 0.000 0.475 91 R N 1.032 121.513 120.500 -0.030 0.000 2.807 91 R HA 0.694 5.035 4.340 0.002 0.000 0.276 91 R C -0.606 175.259 176.300 -0.724 0.000 0.979 91 R CA -0.590 55.207 56.100 -0.504 0.000 0.928 91 R CB 2.234 31.843 30.300 -1.153 0.000 1.191 91 R HN 0.649 nan 8.270 nan 0.000 0.471 92 T N -0.985 113.102 114.554 -0.779 0.000 2.821 92 T HA 0.194 4.545 4.350 0.002 0.000 0.306 92 T C 0.260 174.869 174.700 -0.153 0.000 1.313 92 T CA -0.476 61.341 62.100 -0.471 0.000 1.012 92 T CB 1.742 70.058 68.868 -0.920 0.000 1.298 92 T HN 0.126 nan 8.240 nan 0.000 0.502 93 V N 1.238 121.175 119.914 0.038 0.000 2.719 93 V HA 0.247 4.369 4.120 0.002 0.000 0.252 93 V C 0.129 176.236 176.094 0.021 0.000 1.065 93 V CA 1.681 64.039 62.300 0.097 0.000 1.086 93 V CB 0.002 31.874 31.823 0.083 0.000 0.700 93 V HN 0.848 nan 8.190 nan 0.000 0.467 94 D N -2.921 117.425 120.400 -0.089 0.000 2.484 94 D HA 0.070 4.711 4.640 0.002 0.000 0.206 94 D C -0.262 175.985 176.300 -0.089 0.000 1.322 94 D CA -0.520 53.488 54.000 0.013 0.000 0.913 94 D CB 0.177 41.047 40.800 0.117 0.000 1.559 94 D HN 0.098 nan 8.370 nan 0.000 0.565 95 W N 2.372 123.659 121.300 -0.022 0.000 2.611 95 W HA 0.071 4.732 4.660 0.002 0.000 0.251 95 W C 1.490 177.810 176.519 -0.332 0.000 1.265 95 W CA -0.009 57.219 57.345 -0.194 0.000 1.295 95 W CB -0.016 29.253 29.460 -0.319 0.000 1.129 95 W HN 0.385 nan 8.180 nan 0.000 0.630 96 F N 0.030 120.050 119.950 0.117 0.000 2.765 96 F HA 0.097 4.625 4.527 0.002 0.000 0.302 96 F C 1.853 177.606 175.800 -0.079 0.000 1.111 96 F CA 0.529 58.503 58.000 -0.045 0.000 1.359 96 F CB -0.317 38.552 39.000 -0.218 0.000 1.097 96 F HN -0.216 nan 8.300 nan 0.000 0.577 97 K N -0.501 119.953 120.400 0.090 0.000 2.148 97 K HA -0.147 4.175 4.320 0.002 0.000 0.204 97 K C 1.039 177.658 176.600 0.032 0.000 1.050 97 K CA 0.484 56.787 56.287 0.028 0.000 0.942 97 K CB -0.332 32.170 32.500 0.003 0.000 0.724 97 K HN 0.297 nan 8.250 nan 0.000 0.446 98 H N 1.596 120.657 119.070 -0.015 0.000 3.038 98 H HA -0.024 4.533 4.556 0.002 0.000 0.338 98 H C -0.490 174.868 175.328 0.050 0.000 1.041 98 H CA 0.608 56.664 56.048 0.014 0.000 1.394 98 H CB 0.511 30.288 29.762 0.025 0.000 1.357 98 H HN -0.050 nan 8.280 nan 0.000 0.600 99 R N 3.440 123.641 120.500 -0.500 0.000 2.564 99 R HA 0.069 4.410 4.340 0.002 0.000 0.284 99 R C -1.174 174.951 176.300 -0.291 0.000 1.031 99 R CA -0.900 55.071 56.100 -0.214 0.000 0.904 99 R CB 1.475 31.756 30.300 -0.032 0.000 1.199 99 R HN 0.732 nan 8.270 nan 0.000 0.443 100 D N 3.716 124.050 120.400 -0.111 0.000 2.339 100 D HA 0.146 4.787 4.640 0.002 0.000 0.256 100 D C -1.545 174.780 176.300 0.043 0.000 1.214 100 D CA -1.971 52.019 54.000 -0.017 0.000 0.877 100 D CB 1.417 42.191 40.800 -0.042 0.000 1.111 100 D HN 0.097 nan 8.370 nan 0.000 0.478 101 P HA -0.100 nan 4.420 nan 0.000 0.219 101 P C 1.087 178.362 177.300 -0.042 0.000 1.146 101 P CA 0.537 63.733 63.100 0.159 0.000 0.808 101 P CB 0.276 32.074 31.700 0.163 0.000 0.779 102 L N -1.526 119.666 121.223 -0.051 0.000 2.599 102 L HA 0.129 4.471 4.340 0.002 0.000 0.230 102 L C 0.611 177.360 176.870 -0.203 0.000 1.141 102 L CA 0.675 55.458 54.840 -0.095 0.000 0.877 102 L CB -1.395 40.657 42.059 -0.011 0.000 1.009 102 L HN 0.081 nan 8.230 nan 0.000 0.447 103 R N 1.083 121.345 120.500 -0.396 0.000 3.333 103 R HA -0.189 4.152 4.340 0.002 0.000 0.256 103 R C 0.225 176.221 176.300 -0.508 0.000 1.010 103 R CA 0.376 55.980 56.100 -0.826 0.000 0.680 103 R CB -1.690 28.363 30.300 -0.411 0.000 1.102 103 R HN 0.497 nan 8.270 nan 0.000 0.440 104 R N 1.156 121.488 120.500 -0.280 0.000 2.229 104 R HA 0.275 4.616 4.340 0.002 0.000 0.328 104 R C 0.201 176.828 176.300 0.545 0.000 1.009 104 R CA -0.739 55.449 56.100 0.146 0.000 0.864 104 R CB 1.016 31.407 30.300 0.151 0.000 1.085 104 R HN 0.293 nan 8.270 nan 0.000 0.453 105 W N 2.994 124.528 121.300 0.390 0.000 2.615 105 W HA 0.247 4.908 4.660 0.002 0.000 0.423 105 W C 1.023 177.818 176.519 0.460 0.000 1.666 105 W CA -1.006 56.593 57.345 0.423 0.000 1.717 105 W CB -0.671 28.983 29.460 0.323 0.000 1.696 105 W HN 0.604 nan 8.180 nan 0.000 0.701 106 H N 0.704 120.082 119.070 0.513 0.000 2.319 106 H HA -0.145 4.412 4.556 0.002 0.000 0.299 106 H C 2.108 177.360 175.328 -0.127 0.000 1.092 106 H CA 2.952 59.159 56.048 0.266 0.000 1.302 106 H CB -0.344 29.576 29.762 0.264 0.000 1.373 106 H HN 0.515 nan 8.280 nan 0.000 0.497 107 A N 1.908 124.484 122.820 -0.406 0.000 1.851 107 A HA -0.132 4.189 4.320 0.002 0.000 0.216 107 A C -0.006 177.256 177.584 -0.536 0.000 1.195 107 A CA 1.998 53.675 52.037 -0.599 0.000 0.622 107 A CB -1.561 16.821 19.000 -1.031 0.000 0.831 107 A HN 0.484 nan 8.150 nan 0.000 0.444 108 P HA -0.181 nan 4.420 nan 0.000 0.218 108 P C 1.477 178.605 177.300 -0.286 0.000 1.149 108 P CA 1.440 64.310 63.100 -0.383 0.000 0.817 108 P CB -0.246 31.256 31.700 -0.330 0.000 0.785 109 Y N 2.466 122.495 120.300 -0.452 0.000 2.114 109 Y HA -0.193 4.358 4.550 0.002 0.000 0.284 109 Y C 2.271 177.871 175.900 -0.499 0.000 1.143 109 Y CA 1.930 59.686 58.100 -0.573 0.000 1.135 109 Y CB -1.106 36.698 38.460 -1.092 0.000 0.980 109 Y HN -0.181 nan 8.280 nan 0.000 0.499 110 V N -0.788 118.808 119.914 -0.530 0.000 2.667 110 V HA -0.155 3.966 4.120 0.002 0.000 0.252 110 V C 2.263 178.177 176.094 -0.300 0.000 1.065 110 V CA 2.008 64.029 62.300 -0.465 0.000 1.083 110 V CB -0.924 30.691 31.823 -0.347 0.000 0.692 110 V HN 0.389 nan 8.190 nan 0.000 0.468 111 K N 0.647 120.894 120.400 -0.255 0.000 2.002 111 K HA -0.246 4.076 4.320 0.002 0.000 0.209 111 K C 1.906 178.412 176.600 -0.158 0.000 1.048 111 K CA 2.327 58.514 56.287 -0.168 0.000 0.930 111 K CB -0.364 32.040 32.500 -0.160 0.000 0.714 111 K HN 0.509 nan 8.250 nan 0.000 0.438 112 D N 0.531 120.806 120.400 -0.208 0.000 2.117 112 D HA -0.164 4.478 4.640 0.002 0.000 0.197 112 D C 1.793 177.998 176.300 -0.159 0.000 0.987 112 D CA 1.178 55.078 54.000 -0.167 0.000 0.829 112 D CB -0.082 40.608 40.800 -0.183 0.000 0.961 112 D HN 0.268 nan 8.370 nan 0.000 0.460 113 K N 0.383 120.606 120.400 -0.295 0.000 2.148 113 K HA -0.040 4.281 4.320 0.002 0.000 0.204 113 K C 1.948 178.521 176.600 -0.047 0.000 1.050 113 K CA 1.037 57.185 56.287 -0.232 0.000 0.942 113 K CB 0.015 32.245 32.500 -0.451 0.000 0.724 113 K HN 0.044 nan 8.250 nan 0.000 0.446 114 A N 1.306 124.100 122.820 -0.042 0.000 1.898 114 A HA -0.178 4.143 4.320 0.002 0.000 0.216 114 A C 1.786 179.451 177.584 0.136 0.000 1.181 114 A CA 1.555 53.644 52.037 0.087 0.000 0.620 114 A CB -0.408 18.618 19.000 0.043 0.000 0.819 114 A HN 0.431 nan 8.150 nan 0.000 0.442 115 E N -0.168 120.071 120.200 0.065 0.000 2.085 115 E HA -0.229 4.122 4.350 0.002 0.000 0.194 115 E C 1.971 178.667 176.600 0.160 0.000 0.994 115 E CA 1.534 57.982 56.400 0.080 0.000 0.801 115 E CB -0.216 29.498 29.700 0.024 0.000 0.743 115 E HN 0.751 nan 8.360 nan 0.000 0.453 116 E N 0.245 120.542 120.200 0.162 0.000 2.110 116 E HA -0.175 4.176 4.350 0.002 0.000 0.193 116 E C 1.684 178.482 176.600 0.331 0.000 0.988 116 E CA 0.824 57.358 56.400 0.223 0.000 0.804 116 E CB -0.207 29.600 29.700 0.179 0.000 0.745 116 E HN 0.445 nan 8.360 nan 0.000 0.458 117 W N 1.664 123.007 121.300 0.072 0.000 2.379 117 W HA -0.154 4.507 4.660 0.002 0.000 0.307 117 W C 1.894 178.459 176.519 0.077 0.000 1.200 117 W CA 0.718 58.103 57.345 0.067 0.000 1.297 117 W CB 0.100 29.578 29.460 0.030 0.000 1.140 117 W HN -0.044 nan 8.180 nan 0.000 0.507 118 R N -0.649 119.903 120.500 0.086 0.000 2.092 118 R HA -0.208 4.133 4.340 0.002 0.000 0.231 118 R C 2.139 178.447 176.300 0.014 0.000 1.119 118 R CA 1.545 57.588 56.100 -0.094 0.000 0.970 118 R CB -1.289 29.002 30.300 -0.015 0.000 0.864 118 R HN 0.267 nan 8.270 nan 0.000 0.440 119 Y N 2.221 122.534 120.300 0.022 0.000 2.242 119 Y HA -0.146 4.406 4.550 0.002 0.000 0.291 119 Y C 2.128 178.102 175.900 0.124 0.000 1.137 119 Y CA 1.286 59.427 58.100 0.068 0.000 1.181 119 Y CB -0.510 38.007 38.460 0.095 0.000 0.989 119 Y HN -0.097 nan 8.280 nan 0.000 0.527 120 T N 0.053 114.604 114.554 -0.005 0.000 2.720 120 T HA -0.228 4.123 4.350 0.002 0.000 0.268 120 T C 1.470 176.054 174.700 -0.194 0.000 1.037 120 T CA 1.880 63.969 62.100 -0.019 0.000 1.144 120 T CB -0.496 68.559 68.868 0.311 0.000 0.864 120 T HN 0.466 nan 8.240 nan 0.000 0.444 121 D N 0.508 120.740 120.400 -0.278 0.000 2.097 121 D HA -0.084 4.557 4.640 0.002 0.000 0.195 121 D C 2.407 178.555 176.300 -0.252 0.000 0.989 121 D CA 1.044 54.834 54.000 -0.351 0.000 0.827 121 D CB 0.051 40.558 40.800 -0.487 0.000 0.966 121 D HN 0.253 nan 8.370 nan 0.000 0.456 122 R N -0.806 119.587 120.500 -0.178 0.000 2.081 122 R HA -0.098 4.243 4.340 0.002 0.000 0.235 122 R C 2.333 178.531 176.300 -0.170 0.000 1.131 122 R CA 1.123 57.160 56.100 -0.105 0.000 0.960 122 R CB -0.607 29.716 30.300 0.040 0.000 0.856 122 R HN 0.312 nan 8.270 nan 0.000 0.436 123 F N 1.867 121.524 119.950 -0.487 0.000 2.095 123 F HA -0.172 4.357 4.527 0.002 0.000 0.298 123 F C 1.875 177.369 175.800 -0.511 0.000 1.104 123 F CA 1.440 59.055 58.000 -0.641 0.000 1.232 123 F CB -0.335 37.866 39.000 -1.331 0.000 0.987 123 F HN -0.116 nan 8.300 nan 0.000 0.475 124 L N 0.131 120.880 121.223 -0.790 0.000 2.083 124 L HA -0.225 4.116 4.340 0.002 0.000 0.209 124 L C 2.640 179.297 176.870 -0.355 0.000 1.083 124 L CA 1.232 55.556 54.840 -0.861 0.000 0.752 124 L CB -0.861 40.738 42.059 -0.767 0.000 0.899 124 L HN 0.282 nan 8.230 nan 0.000 0.433 125 Q N -0.280 119.378 119.800 -0.238 0.000 2.119 125 Q HA -0.126 4.216 4.340 0.002 0.000 0.201 125 Q C 2.283 178.224 176.000 -0.097 0.000 0.972 125 Q CA 1.668 57.411 55.803 -0.100 0.000 0.847 125 Q CB -0.393 28.290 28.738 -0.093 0.000 0.903 125 Q HN 0.595 nan 8.270 nan 0.000 0.433 126 G N -0.093 108.608 108.800 -0.166 0.000 2.394 126 G HA2 -0.281 3.680 3.960 0.002 0.000 0.215 126 G HA3 -0.281 3.680 3.960 0.002 0.000 0.215 126 G C 1.330 176.148 174.900 -0.137 0.000 1.165 126 G CA 0.523 45.545 45.100 -0.130 0.000 0.784 126 G HN 0.358 nan 8.290 nan 0.000 0.535 127 Y N 2.603 122.642 120.300 -0.435 0.000 2.145 127 Y HA -0.231 4.320 4.550 0.002 0.000 0.286 127 Y C 3.233 179.072 175.900 -0.103 0.000 1.145 127 Y CA 2.246 60.133 58.100 -0.355 0.000 1.148 127 Y CB -0.076 37.969 38.460 -0.691 0.000 0.981 127 Y HN 0.334 nan 8.280 nan 0.000 0.507 128 S N 0.197 116.045 115.700 0.247 0.000 2.368 128 S HA -0.204 4.267 4.470 0.002 0.000 0.225 128 S C 2.191 176.781 174.600 -0.017 0.000 1.030 128 S CA 0.931 59.214 58.200 0.139 0.000 0.999 128 S CB -1.106 62.189 63.200 0.158 0.000 0.844 128 S HN 0.500 nan 8.310 nan 0.000 0.459 129 A N 1.618 124.421 122.820 -0.029 0.000 1.969 129 A HA -0.044 4.277 4.320 0.002 0.000 0.218 129 A C 1.909 179.447 177.584 -0.077 0.000 1.169 129 A CA 1.619 53.626 52.037 -0.050 0.000 0.635 129 A CB -0.822 18.152 19.000 -0.043 0.000 0.810 129 A HN 0.494 nan 8.150 nan 0.000 0.445 130 D N -1.281 119.051 120.400 -0.113 0.000 2.355 130 D HA 0.190 4.831 4.640 0.002 0.000 0.218 130 D C 1.336 177.532 176.300 -0.173 0.000 1.004 130 D CA 1.089 55.007 54.000 -0.138 0.000 0.880 130 D CB -0.190 40.515 40.800 -0.159 0.000 0.911 130 D HN 0.509 nan 8.370 nan 0.000 0.528 131 G N 1.023 109.709 108.800 -0.189 0.000 2.198 131 G HA2 -0.397 3.564 3.960 0.002 0.000 0.260 131 G HA3 -0.397 3.564 3.960 0.002 0.000 0.260 131 G C 0.977 175.721 174.900 -0.259 0.000 1.025 131 G CA 0.641 45.634 45.100 -0.180 0.000 0.769 131 G HN 0.429 nan 8.290 nan 0.000 0.507 132 Q N -0.769 118.731 119.800 -0.500 0.000 2.291 132 Q HA -0.064 4.277 4.340 0.002 0.000 0.206 132 Q C 2.778 178.553 176.000 -0.375 0.000 0.976 132 Q CA 1.516 56.962 55.803 -0.594 0.000 0.875 132 Q CB -0.211 27.901 28.738 -1.044 0.000 0.927 132 Q HN 0.963 nan 8.270 nan 0.000 0.450 133 I N -1.590 118.829 120.570 -0.251 0.000 2.454 133 I HA -0.240 3.932 4.170 0.002 0.000 0.254 133 I C 1.928 178.068 176.117 0.038 0.000 1.156 133 I CA 0.958 62.295 61.300 0.062 0.000 1.433 133 I CB -0.428 37.629 38.000 0.095 0.000 1.082 133 I HN -0.000 nan 8.210 nan 0.000 0.432 134 R N 1.624 122.109 120.500 -0.024 0.000 2.153 134 R HA -0.170 4.171 4.340 0.002 0.000 0.252 134 R C 2.057 178.371 176.300 0.024 0.000 1.158 134 R CA 1.773 57.872 56.100 -0.003 0.000 0.975 134 R CB -0.474 29.809 30.300 -0.030 0.000 0.871 134 R HN 0.571 nan 8.270 nan 0.000 0.450 135 A N 0.079 122.912 122.820 0.023 0.000 2.345 135 A HA 0.161 4.482 4.320 0.002 0.000 0.225 135 A C 0.688 178.323 177.584 0.086 0.000 1.243 135 A CA -0.374 51.687 52.037 0.040 0.000 0.875 135 A CB 0.019 19.028 19.000 0.014 0.000 0.929 135 A HN 0.164 nan 8.150 nan 0.000 0.502 136 M N 1.465 121.142 119.600 0.128 0.000 2.185 136 M HA 0.124 4.606 4.480 0.002 0.000 0.357 136 M C -0.057 176.377 176.300 0.223 0.000 1.260 136 M CA -0.324 55.096 55.300 0.201 0.000 1.124 136 M CB 0.349 33.106 32.600 0.263 0.000 1.600 136 M HN 0.379 nan 8.290 nan 0.000 0.467 137 N N 6.073 124.940 118.700 0.279 0.000 2.440 137 N HA 0.031 4.772 4.740 0.002 0.000 0.265 137 N C -2.164 173.540 175.510 0.323 0.000 1.239 137 N CA -0.856 52.381 53.050 0.312 0.000 0.909 137 N CB 1.086 39.850 38.487 0.461 0.000 1.066 137 N HN 0.446 nan 8.380 nan 0.000 0.474 138 P HA -0.087 nan 4.420 nan 0.000 0.216 138 P C 1.065 178.506 177.300 0.235 0.000 1.150 138 P CA 1.449 64.681 63.100 0.220 0.000 0.837 138 P CB 0.244 32.043 31.700 0.165 0.000 0.786 139 T N -1.527 113.175 114.554 0.247 0.000 2.737 139 T HA -0.172 4.179 4.350 0.002 0.000 0.265 139 T C 1.426 176.312 174.700 0.310 0.000 1.038 139 T CA 0.891 63.142 62.100 0.251 0.000 1.144 139 T CB -0.901 68.121 68.868 0.256 0.000 0.866 139 T HN 0.278 nan 8.240 nan 0.000 0.434 140 W N 2.927 124.282 121.300 0.093 0.000 2.358 140 W HA -0.119 4.542 4.660 0.002 0.000 0.303 140 W C 2.349 179.011 176.519 0.239 0.000 1.208 140 W CA 1.193 58.543 57.345 0.009 0.000 1.274 140 W CB -0.418 28.824 29.460 -0.363 0.000 1.138 140 W HN 0.162 nan 8.180 nan 0.000 0.515 141 R N 0.589 121.274 120.500 0.308 0.000 2.082 141 R HA -0.192 4.149 4.340 0.002 0.000 0.234 141 R C 1.771 178.226 176.300 0.258 0.000 1.136 141 R CA 2.405 58.670 56.100 0.276 0.000 0.935 141 R CB -0.750 29.745 30.300 0.325 0.000 0.842 141 R HN -0.008 nan 8.270 nan 0.000 0.430 142 D N -0.545 119.988 120.400 0.220 0.000 2.224 142 D HA -0.124 4.518 4.640 0.002 0.000 0.205 142 D C 1.555 177.844 176.300 -0.018 0.000 0.965 142 D CA 1.061 55.126 54.000 0.108 0.000 0.852 142 D CB 0.121 40.966 40.800 0.076 0.000 0.947 142 D HN 0.507 nan 8.370 nan 0.000 0.494 143 E N -0.928 119.270 120.200 -0.004 0.000 2.121 143 E HA -0.015 4.337 4.350 0.002 0.000 0.194 143 E C 1.658 178.100 176.600 -0.264 0.000 0.940 143 E CA -0.040 56.268 56.400 -0.153 0.000 0.884 143 E CB -0.012 29.615 29.700 -0.122 0.000 0.874 143 E HN -0.002 nan 8.360 nan 0.000 0.471 144 F N 1.311 121.180 119.950 -0.136 0.000 2.113 144 F HA -0.028 4.500 4.527 0.002 0.000 0.297 144 F C 2.271 177.981 175.800 -0.150 0.000 1.103 144 F CA 1.000 58.867 58.000 -0.223 0.000 1.248 144 F CB -0.196 38.213 39.000 -0.985 0.000 0.999 144 F HN 0.089 nan 8.300 nan 0.000 0.475 145 I N -0.308 120.158 120.570 -0.173 0.000 2.162 145 I HA -0.291 3.880 4.170 0.002 0.000 0.238 145 I C 2.526 178.761 176.117 0.197 0.000 1.076 145 I CA 1.372 62.718 61.300 0.078 0.000 1.353 145 I CB -0.607 37.475 38.000 0.137 0.000 1.063 145 I HN 0.230 nan 8.210 nan 0.000 0.408 146 N N 1.182 119.978 118.700 0.161 0.000 2.043 146 N HA -0.263 4.478 4.740 0.002 0.000 0.193 146 N C 2.138 177.633 175.510 -0.025 0.000 1.037 146 N CA 1.857 54.967 53.050 0.100 0.000 0.851 146 N CB 0.052 38.469 38.487 -0.117 0.000 1.027 146 N HN 0.284 nan 8.380 nan 0.000 0.422 147 R N -1.072 119.341 120.500 -0.144 0.000 2.074 147 R HA -0.025 4.316 4.340 0.002 0.000 0.218 147 R C 2.030 178.204 176.300 -0.209 0.000 1.137 147 R CA 0.612 56.541 56.100 -0.284 0.000 0.998 147 R CB -0.291 29.674 30.300 -0.559 0.000 0.895 147 R HN 0.250 nan 8.270 nan 0.000 0.442 148 Y N -0.813 119.565 120.300 0.130 0.000 2.206 148 Y HA -0.167 4.384 4.550 0.002 0.000 0.292 148 Y C 2.253 178.459 175.900 0.511 0.000 1.123 148 Y CA 1.149 59.484 58.100 0.392 0.000 1.142 148 Y CB -0.364 38.297 38.460 0.336 0.000 1.006 148 Y HN 0.268 nan 8.280 nan 0.000 0.518 149 W N 0.967 122.346 121.300 0.132 0.000 2.418 149 W HA -0.085 4.575 4.660 0.002 0.000 0.292 149 W C 2.042 178.521 176.519 -0.065 0.000 1.213 149 W CA 1.192 58.327 57.345 -0.350 0.000 1.283 149 W CB -0.419 28.698 29.460 -0.571 0.000 1.119 149 W HN 0.162 nan 8.180 nan 0.000 0.542 150 G N 1.014 109.821 108.800 0.012 0.000 2.440 150 G HA2 -0.310 3.651 3.960 0.002 0.000 0.218 150 G HA3 -0.310 3.651 3.960 0.002 0.000 0.218 150 G C 1.630 176.480 174.900 -0.083 0.000 1.154 150 G CA 1.618 46.659 45.100 -0.099 0.000 0.767 150 G HN 0.362 nan 8.290 nan 0.000 0.552 151 A N 0.061 122.912 122.820 0.052 0.000 2.019 151 A HA 0.098 4.419 4.320 0.002 0.000 0.219 151 A C 2.106 179.568 177.584 -0.204 0.000 1.164 151 A CA 1.343 53.430 52.037 0.082 0.000 0.644 151 A CB -0.485 18.646 19.000 0.218 0.000 0.805 151 A HN 0.378 nan 8.150 nan 0.000 0.449 152 F N 0.724 120.404 119.950 -0.451 0.000 2.365 152 F HA -0.108 4.420 4.527 0.002 0.000 0.300 152 F C 1.855 177.258 175.800 -0.660 0.000 1.090 152 F CA 1.108 58.771 58.000 -0.562 0.000 1.408 152 F CB -0.109 38.617 39.000 -0.457 0.000 1.060 152 F HN 0.305 nan 8.300 nan 0.000 0.534 153 L N -0.902 119.898 121.223 -0.704 0.000 2.079 153 L HA -0.262 4.079 4.340 0.002 0.000 0.210 153 L C 1.996 178.310 176.870 -0.927 0.000 1.081 153 L CA 1.882 56.238 54.840 -0.807 0.000 0.752 153 L CB -0.842 40.743 42.059 -0.791 0.000 0.896 153 L HN 0.075 nan 8.230 nan 0.000 0.433 154 F N 0.693 120.085 119.950 -0.930 0.000 2.234 154 F HA -0.167 4.362 4.527 0.002 0.000 0.299 154 F C 2.631 177.689 175.800 -1.236 0.000 1.087 154 F CA 1.535 58.851 58.000 -1.141 0.000 1.340 154 F CB -0.815 37.118 39.000 -1.778 0.000 1.031 154 F HN 0.311 nan 8.300 nan 0.000 0.500 155 N N 0.716 118.601 118.700 -1.359 0.000 2.106 155 N HA -0.178 4.563 4.740 0.002 0.000 0.188 155 N C 1.696 176.910 175.510 -0.494 0.000 1.029 155 N CA 1.461 54.024 53.050 -0.811 0.000 0.848 155 N CB -0.001 38.048 38.487 -0.729 0.000 1.007 155 N HN 0.223 nan 8.380 nan 0.000 0.423 156 E N -0.037 119.763 120.200 -0.666 0.000 2.106 156 E HA -0.178 4.173 4.350 0.002 0.000 0.192 156 E C 1.722 178.192 176.600 -0.217 0.000 0.984 156 E CA 0.588 56.759 56.400 -0.381 0.000 0.806 156 E CB -0.590 28.877 29.700 -0.388 0.000 0.750 156 E HN 0.531 nan 8.360 nan 0.000 0.458 157 Y N 1.545 121.614 120.300 -0.385 0.000 2.200 157 Y HA -0.105 4.447 4.550 0.002 0.000 0.290 157 Y C 2.365 178.158 175.900 -0.178 0.000 1.137 157 Y CA 1.821 59.774 58.100 -0.246 0.000 1.163 157 Y CB -0.576 37.665 38.460 -0.366 0.000 0.988 157 Y HN 0.020 nan 8.280 nan 0.000 0.518 158 G N 0.116 108.798 108.800 -0.197 0.000 2.418 158 G HA2 -0.237 3.724 3.960 0.002 0.000 0.217 158 G HA3 -0.237 3.724 3.960 0.002 0.000 0.217 158 G C 1.484 176.169 174.900 -0.358 0.000 1.158 158 G CA 1.046 46.014 45.100 -0.221 0.000 0.771 158 G HN 0.350 nan 8.290 nan 0.000 0.545 159 L N 0.123 121.236 121.223 -0.183 0.000 2.083 159 L HA 0.051 4.392 4.340 0.002 0.000 0.209 159 L C 2.470 179.308 176.870 -0.053 0.000 1.083 159 L CA 1.132 55.905 54.840 -0.111 0.000 0.752 159 L CB -1.160 40.902 42.059 0.005 0.000 0.899 159 L HN 0.364 nan 8.230 nan 0.000 0.433 160 F N 0.606 120.397 119.950 -0.264 0.000 2.102 160 F HA -0.228 4.300 4.527 0.002 0.000 0.298 160 F C 2.187 177.766 175.800 -0.368 0.000 1.105 160 F CA 1.989 59.829 58.000 -0.267 0.000 1.239 160 F CB -0.835 37.925 39.000 -0.400 0.000 0.991 160 F HN 0.174 nan 8.300 nan 0.000 0.474 161 N N 0.305 118.161 118.700 -1.407 0.000 2.289 161 N HA -0.120 4.621 4.740 0.002 0.000 0.184 161 N C 1.942 176.649 175.510 -1.340 0.000 1.016 161 N CA 0.958 52.915 53.050 -1.822 0.000 0.872 161 N CB -0.349 36.568 38.487 -2.617 0.000 0.973 161 N HN 0.459 nan 8.380 nan 0.000 0.433 162 A N 0.148 122.426 122.820 -0.904 0.000 2.076 162 A HA -0.171 4.150 4.320 0.002 0.000 0.220 162 A C 1.273 178.633 177.584 -0.373 0.000 1.160 162 A CA 1.376 53.133 52.037 -0.466 0.000 0.653 162 A CB -0.631 18.153 19.000 -0.360 0.000 0.801 162 A HN 0.394 nan 8.150 nan 0.000 0.455 163 H N -0.097 118.756 119.070 -0.363 0.000 2.551 163 H HA 0.013 4.570 4.556 0.002 0.000 0.266 163 H C 2.445 177.650 175.328 -0.205 0.000 0.977 163 H CA 0.925 56.860 56.048 -0.188 0.000 1.163 163 H CB 0.066 29.766 29.762 -0.103 0.000 1.381 163 H HN 0.684 nan 8.280 nan 0.000 0.581 164 S N 0.142 115.715 115.700 -0.210 0.000 2.359 164 S HA -0.322 4.149 4.470 0.002 0.000 0.224 164 S C 2.079 176.633 174.600 -0.077 0.000 1.035 164 S CA 1.532 59.637 58.200 -0.158 0.000 1.018 164 S CB -0.246 62.845 63.200 -0.182 0.000 0.876 164 S HN 0.572 nan 8.310 nan 0.000 0.448 165 Q N 1.523 121.287 119.800 -0.061 0.000 2.124 165 Q HA -0.036 4.305 4.340 0.002 0.000 0.202 165 Q C 2.271 178.256 176.000 -0.025 0.000 0.977 165 Q CA 1.487 57.272 55.803 -0.030 0.000 0.850 165 Q CB -0.852 27.869 28.738 -0.028 0.000 0.901 165 Q HN 0.709 nan 8.270 nan 0.000 0.429 166 G N 0.197 108.997 108.800 -0.001 0.000 2.432 166 G HA2 -0.225 3.736 3.960 0.002 0.000 0.219 166 G HA3 -0.225 3.736 3.960 0.002 0.000 0.219 166 G C 1.435 176.234 174.900 -0.168 0.000 1.135 166 G CA 0.755 45.842 45.100 -0.021 0.000 0.767 166 G HN 0.481 nan 8.290 nan 0.000 0.550 167 A N 0.668 123.430 122.820 -0.097 0.000 1.972 167 A HA -0.020 4.301 4.320 0.002 0.000 0.219 167 A C 2.323 179.840 177.584 -0.111 0.000 1.169 167 A CA 2.155 54.123 52.037 -0.116 0.000 0.635 167 A CB -0.294 18.666 19.000 -0.067 0.000 0.810 167 A HN 0.342 nan 8.150 nan 0.000 0.446 168 R N -0.126 120.324 120.500 -0.083 0.000 2.100 168 R HA 0.033 4.375 4.340 0.002 0.000 0.220 168 R C 1.367 177.670 176.300 0.006 0.000 1.091 168 R CA 1.570 57.653 56.100 -0.029 0.000 0.986 168 R CB -0.206 30.082 30.300 -0.021 0.000 0.888 168 R HN 0.419 nan 8.270 nan 0.000 0.444 169 E N 0.602 120.698 120.200 -0.172 0.000 2.452 169 E HA 0.226 4.577 4.350 0.002 0.000 0.197 169 E C 0.084 176.063 176.600 -1.035 0.000 1.022 169 E CA 0.498 56.697 56.400 -0.334 0.000 0.890 169 E CB 0.125 29.682 29.700 -0.238 0.000 0.918 169 E HN 0.336 nan 8.360 nan 0.000 0.496 170 A N 1.584 123.658 122.820 -1.244 0.000 2.587 170 A HA -0.043 4.278 4.320 0.002 0.000 0.235 170 A C 0.795 177.517 177.584 -1.436 0.000 1.044 170 A CA 0.081 51.044 52.037 -1.791 0.000 0.754 170 A CB 0.142 18.521 19.000 -1.036 0.000 0.968 170 A HN 0.075 nan 8.150 nan 0.000 0.509 171 L N 2.058 122.450 121.223 -1.386 0.000 2.629 171 L HA 0.189 4.530 4.340 0.002 0.000 0.230 171 L C 1.002 177.310 176.870 -0.937 0.000 1.151 171 L CA 1.314 55.498 54.840 -1.093 0.000 0.924 171 L CB -1.546 39.764 42.059 -1.247 0.000 1.137 171 L HN 0.931 nan 8.230 nan 0.000 0.457 172 S N -3.661 111.534 115.700 -0.841 0.000 2.567 172 S HA 0.288 4.759 4.470 0.002 0.000 0.270 172 S C 0.294 174.590 174.600 -0.508 0.000 1.152 172 S CA -0.371 57.364 58.200 -0.775 0.000 0.835 172 S CB 1.036 63.734 63.200 -0.837 0.000 1.115 172 S HN 0.082 nan 8.310 nan 0.000 0.459 173 D N 1.688 121.906 120.400 -0.302 0.000 2.097 173 D HA -0.139 4.503 4.640 0.002 0.000 0.197 173 D C 2.172 178.354 176.300 -0.197 0.000 0.984 173 D CA 1.634 55.508 54.000 -0.210 0.000 0.826 173 D CB -0.935 39.812 40.800 -0.088 0.000 0.973 173 D HN 0.634 nan 8.370 nan 0.000 0.460 174 V N -0.068 119.768 119.914 -0.130 0.000 2.392 174 V HA -0.265 3.856 4.120 0.002 0.000 0.249 174 V C 2.440 178.563 176.094 0.049 0.000 1.059 174 V CA 2.374 64.645 62.300 -0.047 0.000 1.051 174 V CB -1.872 29.942 31.823 -0.016 0.000 0.658 174 V HN 0.466 nan 8.190 nan 0.000 0.455 175 T N -0.968 113.566 114.554 -0.034 0.000 2.896 175 T HA -0.163 4.188 4.350 0.002 0.000 0.263 175 T C 2.049 176.557 174.700 -0.320 0.000 1.050 175 T CA 1.339 63.361 62.100 -0.129 0.000 1.140 175 T CB -0.470 68.350 68.868 -0.080 0.000 0.877 175 T HN 0.568 nan 8.240 nan 0.000 0.457 176 R N 0.845 121.126 120.500 -0.366 0.000 2.081 176 R HA -0.040 4.302 4.340 0.002 0.000 0.235 176 R C 2.262 178.293 176.300 -0.448 0.000 1.131 176 R CA 1.453 57.309 56.100 -0.407 0.000 0.960 176 R CB -0.710 29.354 30.300 -0.394 0.000 0.856 176 R HN 0.326 nan 8.270 nan 0.000 0.436 177 V N 0.409 120.052 119.914 -0.451 0.000 2.343 177 V HA -0.211 3.910 4.120 0.002 0.000 0.247 177 V C 2.302 177.836 176.094 -0.933 0.000 1.051 177 V CA 2.080 63.962 62.300 -0.698 0.000 1.036 177 V CB -0.313 31.208 31.823 -0.503 0.000 0.654 177 V HN 0.388 nan 8.190 nan 0.000 0.451 178 S N -0.142 115.181 115.700 -0.630 0.000 2.356 178 S HA -0.125 4.346 4.470 0.002 0.000 0.223 178 S C 1.957 175.720 174.600 -1.395 0.000 1.032 178 S CA 1.266 58.997 58.200 -0.781 0.000 1.005 178 S CB -0.403 62.496 63.200 -0.502 0.000 0.867 178 S HN 0.397 nan 8.310 nan 0.000 0.449 179 L N 1.764 122.291 121.223 -1.160 0.000 2.042 179 L HA -0.134 4.208 4.340 0.002 0.000 0.210 179 L C 2.470 179.155 176.870 -0.308 0.000 1.076 179 L CA 2.295 56.700 54.840 -0.726 0.000 0.749 179 L CB -1.602 40.253 42.059 -0.341 0.000 0.893 179 L HN 0.328 nan 8.230 nan 0.000 0.432 180 A N -0.763 121.838 122.820 -0.365 0.000 1.898 180 A HA -0.214 4.107 4.320 0.002 0.000 0.216 180 A C 2.172 179.748 177.584 -0.012 0.000 1.181 180 A CA 1.449 53.375 52.037 -0.185 0.000 0.620 180 A CB -0.909 17.929 19.000 -0.270 0.000 0.819 180 A HN 0.495 nan 8.150 nan 0.000 0.442 181 F N -1.800 117.944 119.950 -0.344 0.000 2.186 181 F HA -0.233 4.295 4.527 0.002 0.000 0.299 181 F C 2.310 178.122 175.800 0.021 0.000 1.090 181 F CA 0.167 57.943 58.000 -0.373 0.000 1.307 181 F CB -0.268 38.340 39.000 -0.654 0.000 1.019 181 F HN 0.343 nan 8.300 nan 0.000 0.489 182 W N 0.746 122.088 121.300 0.070 0.000 2.355 182 W HA -0.052 4.610 4.660 0.002 0.000 0.309 182 W C 2.556 178.991 176.519 -0.140 0.000 1.206 182 W CA 1.066 58.412 57.345 0.000 0.000 1.284 182 W CB -1.770 27.706 29.460 0.027 0.000 1.145 182 W HN -0.038 nan 8.180 nan 0.000 0.502 183 G N -0.826 107.854 108.800 -0.200 0.000 2.408 183 G HA2 -0.271 3.690 3.960 0.002 0.000 0.217 183 G HA3 -0.271 3.690 3.960 0.002 0.000 0.217 183 G C 1.465 176.464 174.900 0.165 0.000 1.150 183 G CA 0.558 45.431 45.100 -0.377 0.000 0.776 183 G HN 0.134 nan 8.290 nan 0.000 0.542 184 F N 1.756 121.746 119.950 0.068 0.000 2.234 184 F HA 0.026 4.554 4.527 0.002 0.000 0.299 184 F C 2.088 177.900 175.800 0.020 0.000 1.087 184 F CA 1.264 59.303 58.000 0.065 0.000 1.340 184 F CB 0.053 39.140 39.000 0.145 0.000 1.031 184 F HN 0.069 nan 8.300 nan 0.000 0.500 185 D N -0.148 120.331 120.400 0.132 0.000 2.178 185 D HA -0.123 4.519 4.640 0.002 0.000 0.202 185 D C 2.230 178.570 176.300 0.067 0.000 0.974 185 D CA 0.809 54.820 54.000 0.018 0.000 0.841 185 D CB -0.091 40.730 40.800 0.035 0.000 0.953 185 D HN 0.096 nan 8.370 nan 0.000 0.478 186 K N 0.553 120.994 120.400 0.069 0.000 2.026 186 K HA -0.085 4.236 4.320 0.002 0.000 0.208 186 K C 2.108 178.631 176.600 -0.129 0.000 1.048 186 K CA 0.301 56.614 56.287 0.045 0.000 0.929 186 K CB -0.629 31.937 32.500 0.110 0.000 0.713 186 K HN 0.199 nan 8.250 nan 0.000 0.439 187 I N 2.157 122.527 120.570 -0.333 0.000 2.394 187 I HA -0.238 3.933 4.170 0.002 0.000 0.251 187 I C 1.820 177.648 176.117 -0.481 0.000 1.136 187 I CA 1.480 62.398 61.300 -0.637 0.000 1.425 187 I CB -0.367 36.833 38.000 -1.334 0.000 1.079 187 I HN 0.106 nan 8.210 nan 0.000 0.425 188 D N 0.355 120.498 120.400 -0.429 0.000 2.097 188 D HA -0.183 4.458 4.640 0.002 0.000 0.195 188 D C 2.130 178.337 176.300 -0.155 0.000 0.989 188 D CA 1.419 55.225 54.000 -0.323 0.000 0.827 188 D CB -0.040 40.629 40.800 -0.217 0.000 0.966 188 D HN 0.268 nan 8.370 nan 0.000 0.456 189 I N 1.265 121.802 120.570 -0.054 0.000 2.226 189 I HA -0.194 3.977 4.170 0.002 0.000 0.245 189 I C 2.581 178.596 176.117 -0.170 0.000 1.100 189 I CA 1.056 62.337 61.300 -0.031 0.000 1.374 189 I CB -1.651 36.382 38.000 0.054 0.000 1.057 189 I HN -0.003 nan 8.210 nan 0.000 0.413 190 A N 0.214 122.882 122.820 -0.253 0.000 1.908 190 A HA -0.257 4.064 4.320 0.002 0.000 0.218 190 A C 2.257 179.624 177.584 -0.362 0.000 1.181 190 A CA 1.703 53.522 52.037 -0.363 0.000 0.627 190 A CB -0.699 18.093 19.000 -0.345 0.000 0.818 190 A HN 0.542 nan 8.150 nan 0.000 0.445 191 Q N -1.384 118.225 119.800 -0.318 0.000 2.167 191 Q HA -0.061 4.280 4.340 0.002 0.000 0.202 191 Q C 2.056 177.902 176.000 -0.257 0.000 0.970 191 Q CA 1.250 56.874 55.803 -0.298 0.000 0.855 191 Q CB -0.200 28.349 28.738 -0.315 0.000 0.911 191 Q HN 0.531 nan 8.270 nan 0.000 0.438 192 M N -0.071 119.400 119.600 -0.214 0.000 2.229 192 M HA -0.078 4.403 4.480 0.002 0.000 0.264 192 M C 2.025 178.109 176.300 -0.361 0.000 1.063 192 M CA 1.262 56.428 55.300 -0.224 0.000 1.114 192 M CB -0.508 32.102 32.600 0.018 0.000 1.387 192 M HN 0.263 nan 8.290 nan 0.000 0.420 193 I N -0.245 120.155 120.570 -0.283 0.000 2.202 193 I HA -0.297 3.874 4.170 0.002 0.000 0.242 193 I C 2.576 178.534 176.117 -0.266 0.000 1.091 193 I CA 1.133 62.249 61.300 -0.305 0.000 1.368 193 I CB -0.403 37.226 38.000 -0.618 0.000 1.058 193 I HN 0.257 nan 8.210 nan 0.000 0.410 194 Q N 1.289 120.920 119.800 -0.283 0.000 2.119 194 Q HA -0.200 4.141 4.340 0.002 0.000 0.201 194 Q C 2.072 177.979 176.000 -0.155 0.000 0.972 194 Q CA 1.600 57.280 55.803 -0.205 0.000 0.847 194 Q CB -0.458 28.143 28.738 -0.228 0.000 0.903 194 Q HN 0.467 nan 8.270 nan 0.000 0.433 195 L N 0.521 121.620 121.223 -0.206 0.000 2.042 195 L HA -0.205 4.136 4.340 0.002 0.000 0.210 195 L C 2.317 179.079 176.870 -0.179 0.000 1.076 195 L CA 2.386 57.128 54.840 -0.163 0.000 0.749 195 L CB -0.493 41.459 42.059 -0.179 0.000 0.893 195 L HN 0.443 nan 8.230 nan 0.000 0.432 196 E N -0.538 119.449 120.200 -0.354 0.000 2.051 196 E HA -0.278 4.073 4.350 0.002 0.000 0.192 196 E C 2.315 178.906 176.600 -0.015 0.000 0.991 196 E CA 1.334 57.611 56.400 -0.204 0.000 0.799 196 E CB -0.097 29.485 29.700 -0.197 0.000 0.748 196 E HN 0.476 nan 8.360 nan 0.000 0.449 197 R N -0.396 120.106 120.500 0.002 0.000 2.096 197 R HA -0.091 4.251 4.340 0.002 0.000 0.235 197 R C 2.489 178.824 176.300 0.058 0.000 1.127 197 R CA 1.067 57.224 56.100 0.095 0.000 0.968 197 R CB -0.398 30.013 30.300 0.186 0.000 0.861 197 R HN 0.275 nan 8.270 nan 0.000 0.440 198 G N 0.398 109.222 108.800 0.041 0.000 2.408 198 G HA2 -0.272 3.689 3.960 0.002 0.000 0.217 198 G HA3 -0.272 3.689 3.960 0.002 0.000 0.217 198 G C 1.173 176.111 174.900 0.063 0.000 1.150 198 G CA 0.157 45.290 45.100 0.055 0.000 0.776 198 G HN 0.240 nan 8.290 nan 0.000 0.542 199 F N 1.268 121.155 119.950 -0.105 0.000 2.113 199 F HA 0.109 4.637 4.527 0.002 0.000 0.297 199 F C 2.435 178.130 175.800 -0.175 0.000 1.103 199 F CA 0.932 58.866 58.000 -0.109 0.000 1.248 199 F CB -0.336 38.606 39.000 -0.096 0.000 0.999 199 F HN 0.025 nan 8.300 nan 0.000 0.475 200 L N 0.046 121.095 121.223 -0.290 0.000 2.079 200 L HA -0.245 4.097 4.340 0.002 0.000 0.210 200 L C 2.748 179.247 176.870 -0.618 0.000 1.081 200 L CA 1.268 55.703 54.840 -0.674 0.000 0.752 200 L CB -1.192 40.140 42.059 -1.210 0.000 0.896 200 L HN 0.265 nan 8.230 nan 0.000 0.433 201 A N -0.278 122.339 122.820 -0.339 0.000 1.972 201 A HA -0.200 4.121 4.320 0.002 0.000 0.219 201 A C 2.324 179.873 177.584 -0.058 0.000 1.169 201 A CA 1.544 53.589 52.037 0.014 0.000 0.635 201 A CB -0.265 18.829 19.000 0.156 0.000 0.810 201 A HN 0.339 nan 8.150 nan 0.000 0.446 202 K N -0.481 119.830 120.400 -0.147 0.000 2.116 202 K HA 0.064 4.385 4.320 0.002 0.000 0.203 202 K C 1.689 178.165 176.600 -0.208 0.000 1.052 202 K CA 1.423 57.622 56.287 -0.146 0.000 0.952 202 K CB -0.174 32.247 32.500 -0.131 0.000 0.729 202 K HN 0.791 nan 8.250 nan 0.000 0.446 203 I N -2.609 117.752 120.570 -0.349 0.000 3.783 203 I HA 0.111 4.282 4.170 0.002 0.000 0.310 203 I C -0.080 175.929 176.117 -0.181 0.000 1.274 203 I CA -0.136 60.979 61.300 -0.308 0.000 1.294 203 I CB 0.760 38.471 38.000 -0.482 0.000 1.051 203 I HN -0.319 nan 8.210 nan 0.000 0.435 204 V N 4.921 124.746 119.914 -0.147 0.000 2.350 204 V HA 0.401 4.522 4.120 0.002 0.000 0.285 204 V C -2.257 173.862 176.094 0.041 0.000 1.014 204 V CA -1.577 60.703 62.300 -0.033 0.000 0.831 204 V CB 1.166 32.985 31.823 -0.006 0.000 1.000 204 V HN 0.125 nan 8.190 nan 0.000 0.433 205 P HA 0.118 nan 4.420 nan 0.000 0.263 205 P C 0.960 178.304 177.300 0.073 0.000 1.195 205 P CA 1.330 64.455 63.100 0.042 0.000 0.762 205 P CB 0.958 32.673 31.700 0.025 0.000 0.799 206 G N 2.874 111.716 108.800 0.070 0.000 2.199 206 G HA2 -0.298 3.663 3.960 0.002 0.000 0.254 206 G HA3 -0.298 3.663 3.960 0.002 0.000 0.254 206 G C -0.083 174.867 174.900 0.085 0.000 0.982 206 G CA -0.165 44.972 45.100 0.061 0.000 0.632 206 G HN 0.563 nan 8.290 nan 0.000 0.529 207 F N 2.340 122.285 119.950 -0.008 0.000 2.504 207 F HA 0.512 5.040 4.527 0.002 0.000 0.369 207 F C 0.226 176.019 175.800 -0.011 0.000 1.082 207 F CA -0.413 57.583 58.000 -0.006 0.000 1.216 207 F CB 0.824 39.822 39.000 -0.004 0.000 1.108 207 F HN 0.030 nan 8.300 nan 0.000 0.554 208 D N 5.414 125.695 120.400 -0.199 0.000 2.329 208 D HA 0.065 4.707 4.640 0.002 0.000 0.232 208 D C 0.643 176.935 176.300 -0.014 0.000 1.088 208 D CA -0.287 53.670 54.000 -0.071 0.000 0.835 208 D CB 1.101 41.819 40.800 -0.138 0.000 1.078 208 D HN 0.780 nan 8.370 nan 0.000 0.495 209 E N 1.583 121.868 120.200 0.142 0.000 2.482 209 E HA -0.032 4.319 4.350 0.002 0.000 0.196 209 E C 0.582 177.213 176.600 0.052 0.000 1.047 209 E CA -0.268 56.227 56.400 0.158 0.000 0.869 209 E CB 0.154 29.934 29.700 0.134 0.000 0.836 209 E HN 0.181 nan 8.360 nan 0.000 0.520 210 S N 1.116 116.822 115.700 0.010 0.000 2.558 210 S HA -0.044 4.427 4.470 0.002 0.000 0.288 210 S C 1.216 175.811 174.600 -0.009 0.000 1.318 210 S CA 0.390 58.586 58.200 -0.007 0.000 1.056 210 S CB 0.970 64.157 63.200 -0.021 0.000 0.853 210 S HN 0.406 nan 8.310 nan 0.000 0.505 211 T N 2.618 117.176 114.554 0.006 0.000 3.148 211 T HA 0.198 4.549 4.350 0.002 0.000 0.253 211 T C 1.841 176.561 174.700 0.034 0.000 1.134 211 T CA 0.503 62.631 62.100 0.046 0.000 1.051 211 T CB -0.409 68.520 68.868 0.101 0.000 0.959 211 T HN 0.737 nan 8.240 nan 0.000 0.525 212 A N 1.694 124.508 122.820 -0.010 0.000 1.903 212 A HA -0.056 4.265 4.320 0.002 0.000 0.219 212 A C 2.512 180.060 177.584 -0.061 0.000 1.191 212 A CA 2.000 54.015 52.037 -0.037 0.000 0.638 212 A CB -1.264 17.711 19.000 -0.042 0.000 0.823 212 A HN 0.424 nan 8.150 nan 0.000 0.451 213 V N 1.095 120.966 119.914 -0.072 0.000 2.237 213 V HA -0.159 3.962 4.120 0.002 0.000 0.245 213 V C 0.012 176.050 176.094 -0.094 0.000 1.046 213 V CA 2.431 64.671 62.300 -0.100 0.000 1.007 213 V CB -1.609 30.132 31.823 -0.137 0.000 0.638 213 V HN 0.486 nan 8.190 nan 0.000 0.445 214 P HA -0.193 nan 4.420 nan 0.000 0.218 214 P C 1.552 178.825 177.300 -0.045 0.000 1.149 214 P CA 1.588 64.686 63.100 -0.004 0.000 0.817 214 P CB 0.031 31.777 31.700 0.078 0.000 0.785 215 K N 0.324 120.637 120.400 -0.144 0.000 2.057 215 K HA -0.076 4.245 4.320 0.002 0.000 0.206 215 K C 2.197 178.622 176.600 -0.291 0.000 1.050 215 K CA 1.376 57.322 56.287 -0.568 0.000 0.935 215 K CB -0.519 31.739 32.500 -0.404 0.000 0.715 215 K HN -0.063 nan 8.250 nan 0.000 0.439 216 A N 0.988 123.718 122.820 -0.151 0.000 1.972 216 A HA -0.187 4.134 4.320 0.002 0.000 0.219 216 A C 1.932 179.482 177.584 -0.056 0.000 1.169 216 A CA 1.845 53.824 52.037 -0.097 0.000 0.635 216 A CB -0.502 18.450 19.000 -0.080 0.000 0.810 216 A HN 0.488 nan 8.150 nan 0.000 0.446 217 E N -0.492 119.686 120.200 -0.035 0.000 2.051 217 E HA -0.198 4.153 4.350 0.002 0.000 0.192 217 E C 1.846 178.550 176.600 0.173 0.000 0.991 217 E CA 1.476 57.905 56.400 0.047 0.000 0.799 217 E CB -0.475 29.233 29.700 0.014 0.000 0.748 217 E HN 0.727 nan 8.360 nan 0.000 0.449 218 W N 1.051 122.296 121.300 -0.091 0.000 2.379 218 W HA -0.166 4.495 4.660 0.002 0.000 0.307 218 W C 1.682 178.149 176.519 -0.087 0.000 1.200 218 W CA 2.545 59.833 57.345 -0.094 0.000 1.297 218 W CB -0.533 28.731 29.460 -0.326 0.000 1.140 218 W HN 0.286 nan 8.180 nan 0.000 0.507 219 T N -1.957 112.538 114.554 -0.099 0.000 3.088 219 T HA 0.002 4.353 4.350 0.002 0.000 0.259 219 T C 0.806 175.425 174.700 -0.135 0.000 1.122 219 T CA 1.295 63.290 62.100 -0.175 0.000 1.095 219 T CB -0.241 68.565 68.868 -0.103 0.000 0.930 219 T HN 0.123 nan 8.240 nan 0.000 0.508 220 N N -0.277 118.372 118.700 -0.086 0.000 2.104 220 N HA 0.303 5.044 4.740 0.002 0.000 0.227 220 N C 0.871 176.363 175.510 -0.029 0.000 1.321 220 N CA 0.108 53.122 53.050 -0.061 0.000 0.877 220 N CB 0.687 39.144 38.487 -0.050 0.000 1.117 220 N HN 0.452 nan 8.380 nan 0.000 0.486 221 G N 0.325 109.129 108.800 0.008 0.000 2.651 221 G HA2 0.120 4.081 3.960 0.002 0.000 0.260 221 G HA3 0.120 4.081 3.960 0.002 0.000 0.260 221 G C 0.387 175.313 174.900 0.043 0.000 1.216 221 G CA -0.038 45.092 45.100 0.051 0.000 0.913 221 G HN 0.060 nan 8.290 nan 0.000 0.535 222 E N -0.853 119.376 120.200 0.048 0.000 2.127 222 E HA 0.015 4.366 4.350 0.002 0.000 0.191 222 E C 2.713 179.332 176.600 0.031 0.000 0.964 222 E CA 0.134 56.549 56.400 0.024 0.000 0.832 222 E CB -0.267 29.439 29.700 0.010 0.000 0.790 222 E HN 0.186 nan 8.360 nan 0.000 0.465 223 V N 0.348 120.275 119.914 0.022 0.000 2.317 223 V HA -0.275 3.846 4.120 0.002 0.000 0.251 223 V C 1.178 177.280 176.094 0.013 0.000 1.065 223 V CA 1.828 64.083 62.300 -0.075 0.000 1.049 223 V CB -0.414 31.276 31.823 -0.222 0.000 0.651 223 V HN 0.377 nan 8.190 nan 0.000 0.450 224 Y N -1.574 118.875 120.300 0.249 0.000 2.555 224 Y HA 0.194 4.745 4.550 0.002 0.000 0.259 224 Y C 2.005 177.849 175.900 -0.093 0.000 1.179 224 Y CA -0.496 57.743 58.100 0.232 0.000 1.230 224 Y CB 0.272 38.971 38.460 0.398 0.000 1.146 224 Y HN 0.021 nan 8.280 nan 0.000 0.526 225 K N 0.276 120.695 120.400 0.032 0.000 1.987 225 K HA -0.146 4.175 4.320 0.002 0.000 0.216 225 K C 2.035 178.559 176.600 -0.125 0.000 1.051 225 K CA 1.557 57.787 56.287 -0.095 0.000 0.942 225 K CB -0.712 31.754 32.500 -0.057 0.000 0.722 225 K HN 0.134 nan 8.250 nan 0.000 0.444 226 S N 0.832 116.499 115.700 -0.055 0.000 2.423 226 S HA -0.081 4.390 4.470 0.002 0.000 0.231 226 S C 1.951 176.489 174.600 -0.103 0.000 1.014 226 S CA 0.975 59.138 58.200 -0.062 0.000 0.965 226 S CB -0.154 63.037 63.200 -0.016 0.000 0.785 226 S HN 0.440 nan 8.310 nan 0.000 0.495 227 A N 2.080 124.826 122.820 -0.123 0.000 1.858 227 A HA -0.134 4.187 4.320 0.002 0.000 0.216 227 A C 2.065 179.572 177.584 -0.128 0.000 1.190 227 A CA 1.667 53.603 52.037 -0.168 0.000 0.617 227 A CB -0.607 18.398 19.000 0.009 0.000 0.827 227 A HN 0.454 nan 8.150 nan 0.000 0.443 228 R N -1.006 119.220 120.500 -0.457 0.000 2.091 228 R HA -0.139 4.202 4.340 0.002 0.000 0.238 228 R C 1.885 178.043 176.300 -0.237 0.000 1.136 228 R CA 1.569 57.278 56.100 -0.652 0.000 0.959 228 R CB -0.387 29.162 30.300 -1.253 0.000 0.856 228 R HN 0.369 nan 8.270 nan 0.000 0.437 229 L N 0.638 121.738 121.223 -0.205 0.000 2.017 229 L HA -0.097 4.245 4.340 0.002 0.000 0.208 229 L C 2.503 179.332 176.870 -0.069 0.000 1.073 229 L CA 2.122 56.894 54.840 -0.113 0.000 0.745 229 L CB -1.005 41.000 42.059 -0.090 0.000 0.894 229 L HN 0.311 nan 8.230 nan 0.000 0.432 230 A N -1.331 121.426 122.820 -0.105 0.000 1.902 230 A HA -0.145 4.176 4.320 0.002 0.000 0.217 230 A C 2.397 179.791 177.584 -0.316 0.000 1.181 230 A CA 1.831 53.779 52.037 -0.148 0.000 0.623 230 A CB -0.916 17.907 19.000 -0.295 0.000 0.818 230 A HN 0.212 nan 8.150 nan 0.000 0.443 231 V N 0.123 119.857 119.914 -0.301 0.000 2.295 231 V HA -0.288 3.833 4.120 0.002 0.000 0.246 231 V C 2.421 178.526 176.094 0.018 0.000 1.049 231 V CA 2.368 64.575 62.300 -0.156 0.000 1.024 231 V CB -0.862 31.066 31.823 0.175 0.000 0.648 231 V HN 0.649 nan 8.190 nan 0.000 0.447 232 E N 0.021 120.251 120.200 0.049 0.000 2.118 232 E HA -0.185 4.166 4.350 0.002 0.000 0.195 232 E C 2.254 178.832 176.600 -0.038 0.000 0.992 232 E CA 1.300 57.705 56.400 0.008 0.000 0.804 232 E CB -0.437 29.238 29.700 -0.043 0.000 0.741 232 E HN 0.671 nan 8.360 nan 0.000 0.458 233 G N 0.856 109.663 108.800 0.012 0.000 2.394 233 G HA2 -0.189 3.772 3.960 0.002 0.000 0.214 233 G HA3 -0.189 3.772 3.960 0.002 0.000 0.214 233 G C 1.558 176.487 174.900 0.049 0.000 1.176 233 G CA 0.196 45.377 45.100 0.135 0.000 0.786 233 G HN 0.072 nan 8.290 nan 0.000 0.533 234 L N -0.885 120.172 121.223 -0.277 0.000 2.042 234 L HA -0.081 4.260 4.340 0.002 0.000 0.210 234 L C 2.633 179.366 176.870 -0.229 0.000 1.076 234 L CA 1.292 55.783 54.840 -0.582 0.000 0.749 234 L CB -0.304 41.286 42.059 -0.783 0.000 0.893 234 L HN 0.449 nan 8.230 nan 0.000 0.432 235 W N 0.580 121.694 121.300 -0.310 0.000 2.452 235 W HA -0.119 4.542 4.660 0.002 0.000 0.313 235 W C 2.345 178.714 176.519 -0.250 0.000 1.176 235 W CA 1.145 58.330 57.345 -0.267 0.000 1.350 235 W CB -0.364 28.970 29.460 -0.210 0.000 1.148 235 W HN 0.072 nan 8.180 nan 0.000 0.498 236 Q N -0.014 119.634 119.800 -0.254 0.000 2.396 236 Q HA 0.033 4.374 4.340 0.002 0.000 0.209 236 Q C 1.576 177.429 176.000 -0.245 0.000 0.906 236 Q CA 0.847 56.404 55.803 -0.409 0.000 0.927 236 Q CB 0.160 28.545 28.738 -0.588 0.000 1.069 236 Q HN 0.536 nan 8.270 nan 0.000 0.523 237 E N 0.232 120.386 120.200 -0.075 0.000 2.474 237 E HA 0.102 4.453 4.350 0.002 0.000 0.195 237 E C -0.218 176.488 176.600 0.177 0.000 1.039 237 E CA -0.035 56.419 56.400 0.090 0.000 0.881 237 E CB 1.096 30.872 29.700 0.127 0.000 0.970 237 E HN -0.068 nan 8.360 nan 0.000 0.486 238 V N 1.389 121.325 119.914 0.037 0.000 2.370 238 V HA 0.149 4.270 4.120 0.002 0.000 0.283 238 V C -0.175 175.901 176.094 -0.029 0.000 1.023 238 V CA -0.213 62.124 62.300 0.062 0.000 0.857 238 V CB 0.873 32.660 31.823 -0.060 0.000 0.985 238 V HN 0.127 nan 8.190 nan 0.000 0.443 239 F N 0.986 120.931 119.950 -0.008 0.000 2.678 239 F HA 0.299 4.827 4.527 0.002 0.000 0.305 239 F C 0.951 176.771 175.800 0.034 0.000 1.090 239 F CA -0.339 57.670 58.000 0.015 0.000 1.272 239 F CB 0.560 39.570 39.000 0.016 0.000 1.060 239 F HN 0.438 nan 8.300 nan 0.000 0.576 240 D N 0.750 121.225 120.400 0.125 0.000 2.359 240 D HA -0.018 4.623 4.640 0.002 0.000 0.230 240 D C 1.252 177.538 176.300 -0.024 0.000 1.118 240 D CA -0.536 53.489 54.000 0.041 0.000 0.844 240 D CB 0.580 41.344 40.800 -0.061 0.000 1.059 240 D HN 0.302 nan 8.370 nan 0.000 0.493 241 W N 4.454 125.745 121.300 -0.015 0.000 2.331 241 W HA -0.170 4.491 4.660 0.002 0.000 0.291 241 W C 0.579 177.108 176.519 0.017 0.000 1.214 241 W CA 0.210 57.536 57.345 -0.031 0.000 1.228 241 W CB -0.800 28.641 29.460 -0.032 0.000 1.135 241 W HN 0.289 nan 8.180 nan 0.000 0.537 242 N N 1.183 119.589 118.700 -0.490 0.000 2.250 242 N HA -0.160 4.581 4.740 0.002 0.000 0.181 242 N C 1.775 177.139 175.510 -0.245 0.000 1.017 242 N CA 1.590 54.495 53.050 -0.241 0.000 0.866 242 N CB -0.538 37.827 38.487 -0.203 0.000 0.985 242 N HN 0.417 nan 8.380 nan 0.000 0.429 243 E N 0.676 120.424 120.200 -0.752 0.000 2.077 243 E HA -0.144 4.207 4.350 0.002 0.000 0.193 243 E C 1.855 178.094 176.600 -0.602 0.000 0.989 243 E CA 0.915 56.473 56.400 -1.405 0.000 0.800 243 E CB 0.037 28.803 29.700 -1.558 0.000 0.746 243 E HN 0.111 nan 8.360 nan 0.000 0.452 244 S N -0.173 115.292 115.700 -0.390 0.000 2.343 244 S HA -0.180 4.291 4.470 0.002 0.000 0.219 244 S C 2.078 176.511 174.600 -0.277 0.000 1.033 244 S CA 1.546 59.547 58.200 -0.331 0.000 1.014 244 S CB -0.390 62.673 63.200 -0.227 0.000 0.915 244 S HN 0.431 nan 8.310 nan 0.000 0.435 245 A N 0.562 123.341 122.820 -0.069 0.000 1.877 245 A HA -0.020 4.301 4.320 0.002 0.000 0.216 245 A C 2.069 179.661 177.584 0.013 0.000 1.186 245 A CA 1.778 53.902 52.037 0.144 0.000 0.620 245 A CB -1.179 18.184 19.000 0.605 0.000 0.822 245 A HN 0.706 nan 8.150 nan 0.000 0.443 246 F N 1.872 121.593 119.950 -0.381 0.000 2.102 246 F HA -0.202 4.327 4.527 0.002 0.000 0.298 246 F C 2.758 178.403 175.800 -0.259 0.000 1.105 246 F CA 2.277 59.939 58.000 -0.564 0.000 1.239 246 F CB -0.315 38.328 39.000 -0.595 0.000 0.991 246 F HN 0.309 nan 8.300 nan 0.000 0.474 247 S N -0.597 115.010 115.700 -0.155 0.000 2.428 247 S HA -0.101 4.370 4.470 0.002 0.000 0.230 247 S C 1.947 176.308 174.600 -0.398 0.000 1.014 247 S CA 1.149 59.174 58.200 -0.291 0.000 0.957 247 S CB -0.981 61.974 63.200 -0.408 0.000 0.784 247 S HN 0.223 nan 8.310 nan 0.000 0.499 248 V N 2.067 121.720 119.914 -0.436 0.000 2.283 248 V HA -0.102 4.019 4.120 0.002 0.000 0.243 248 V C 2.678 178.556 176.094 -0.359 0.000 1.039 248 V CA 1.831 63.880 62.300 -0.418 0.000 1.016 248 V CB -0.732 30.735 31.823 -0.593 0.000 0.650 248 V HN 0.618 nan 8.190 nan 0.000 0.449 249 H N -0.360 118.592 119.070 -0.197 0.000 2.448 249 H HA 0.243 4.800 4.556 0.002 0.000 0.292 249 H C 1.927 177.024 175.328 -0.386 0.000 1.035 249 H CA 1.341 57.251 56.048 -0.229 0.000 1.349 249 H CB 0.092 29.667 29.762 -0.310 0.000 1.425 249 H HN 0.459 nan 8.280 nan 0.000 0.539 250 A N 0.456 123.001 122.820 -0.459 0.000 2.465 250 A HA 0.381 4.702 4.320 0.002 0.000 0.255 250 A C 1.362 178.695 177.584 -0.420 0.000 1.274 250 A CA 0.041 51.657 52.037 -0.701 0.000 0.920 250 A CB 0.383 18.963 19.000 -0.699 0.000 1.033 250 A HN 0.136 nan 8.150 nan 0.000 0.516 251 V N -2.639 117.104 119.914 -0.285 0.000 4.763 251 V HA 0.033 4.154 4.120 0.002 0.000 0.146 251 V C 1.624 177.628 176.094 -0.150 0.000 1.198 251 V CA 0.584 62.812 62.300 -0.119 0.000 1.220 251 V CB -1.195 30.618 31.823 -0.017 0.000 1.571 251 V HN 0.433 nan 8.190 nan 0.000 0.595 252 Y N 1.657 121.851 120.300 -0.177 0.000 2.049 252 Y HA -0.287 4.264 4.550 0.002 0.000 0.277 252 Y C 2.366 178.279 175.900 0.022 0.000 1.143 252 Y CA 2.767 60.813 58.100 -0.089 0.000 1.115 252 Y CB -0.100 38.282 38.460 -0.130 0.000 0.975 252 Y HN 0.483 nan 8.280 nan 0.000 0.487 253 D N -0.284 120.115 120.400 -0.002 0.000 2.219 253 D HA -0.116 4.525 4.640 0.002 0.000 0.205 253 D C 2.030 178.390 176.300 0.100 0.000 0.970 253 D CA 1.105 55.135 54.000 0.050 0.000 0.851 253 D CB -0.247 40.692 40.800 0.232 0.000 0.943 253 D HN 0.447 nan 8.370 nan 0.000 0.488 254 A N -0.522 122.347 122.820 0.082 0.000 2.015 254 A HA -0.005 4.316 4.320 0.002 0.000 0.219 254 A C 2.075 179.671 177.584 0.019 0.000 1.163 254 A CA 0.843 52.971 52.037 0.152 0.000 0.646 254 A CB -0.270 18.678 19.000 -0.086 0.000 0.806 254 A HN 0.324 nan 8.150 nan 0.000 0.448 255 L N -3.318 117.815 121.223 -0.150 0.000 2.416 255 L HA 0.183 4.524 4.340 0.002 0.000 0.188 255 L C 2.274 179.100 176.870 -0.074 0.000 1.145 255 L CA 0.710 55.446 54.840 -0.174 0.000 0.826 255 L CB -0.655 41.166 42.059 -0.397 0.000 1.064 255 L HN 0.384 nan 8.230 nan 0.000 0.490 256 F N 1.072 120.845 119.950 -0.294 0.000 2.113 256 F HA -0.075 4.453 4.527 0.002 0.000 0.297 256 F C 2.142 177.855 175.800 -0.145 0.000 1.103 256 F CA 1.729 59.573 58.000 -0.260 0.000 1.248 256 F CB -0.573 38.125 39.000 -0.503 0.000 0.999 256 F HN 0.009 nan 8.300 nan 0.000 0.475 257 G N -0.298 108.429 108.800 -0.121 0.000 2.421 257 G HA2 -0.235 3.727 3.960 0.002 0.000 0.216 257 G HA3 -0.235 3.727 3.960 0.002 0.000 0.216 257 G C 1.491 176.306 174.900 -0.141 0.000 1.171 257 G CA 0.652 45.758 45.100 0.009 0.000 0.775 257 G HN 0.334 nan 8.290 nan 0.000 0.543 258 Q N -0.503 119.173 119.800 -0.207 0.000 2.124 258 Q HA -0.075 4.266 4.340 0.002 0.000 0.202 258 Q C 2.201 178.099 176.000 -0.171 0.000 0.977 258 Q CA 0.828 56.468 55.803 -0.272 0.000 0.850 258 Q CB -0.403 28.164 28.738 -0.286 0.000 0.901 258 Q HN 0.570 nan 8.270 nan 0.000 0.429 259 F N 0.626 120.431 119.950 -0.241 0.000 2.084 259 F HA -0.186 4.342 4.527 0.002 0.000 0.296 259 F C 2.184 177.861 175.800 -0.205 0.000 1.111 259 F CA 0.993 58.886 58.000 -0.179 0.000 1.224 259 F CB -0.188 38.708 39.000 -0.173 0.000 0.991 259 F HN -0.197 nan 8.300 nan 0.000 0.471 260 V N 0.947 120.596 119.914 -0.442 0.000 2.343 260 V HA -0.276 3.845 4.120 0.002 0.000 0.247 260 V C 2.475 178.467 176.094 -0.169 0.000 1.051 260 V CA 2.243 64.225 62.300 -0.530 0.000 1.036 260 V CB -0.685 30.518 31.823 -1.033 0.000 0.654 260 V HN 0.272 nan 8.190 nan 0.000 0.451 261 R N -0.466 119.901 120.500 -0.222 0.000 2.057 261 R HA -0.054 4.288 4.340 0.002 0.000 0.229 261 R C 2.571 178.842 176.300 -0.047 0.000 1.136 261 R CA 1.472 57.548 56.100 -0.040 0.000 0.952 261 R CB -0.298 30.009 30.300 0.012 0.000 0.848 261 R HN 0.357 nan 8.270 nan 0.000 0.430 262 R N 0.462 120.884 120.500 -0.129 0.000 2.090 262 R HA -0.027 4.314 4.340 0.002 0.000 0.219 262 R C 1.430 177.623 176.300 -0.178 0.000 1.100 262 R CA 0.877 56.898 56.100 -0.131 0.000 0.991 262 R CB 0.371 30.593 30.300 -0.129 0.000 0.893 262 R HN 0.073 nan 8.270 nan 0.000 0.443 263 E N -0.784 119.223 120.200 -0.322 0.000 2.447 263 E HA -0.051 4.300 4.350 0.002 0.000 0.195 263 E C 0.853 177.208 176.600 -0.408 0.000 1.028 263 E CA 0.444 56.575 56.400 -0.449 0.000 0.876 263 E CB 0.264 29.535 29.700 -0.716 0.000 0.885 263 E HN 0.281 nan 8.360 nan 0.000 0.500 264 F N -0.888 118.803 119.950 -0.431 0.000 2.515 264 F HA 0.120 4.648 4.527 0.002 0.000 0.267 264 F C 1.695 177.357 175.800 -0.229 0.000 0.923 264 F CA 0.160 57.985 58.000 -0.291 0.000 1.107 264 F CB -0.274 38.575 39.000 -0.252 0.000 1.175 264 F HN -0.190 nan 8.300 nan 0.000 0.742 265 F N 1.022 121.153 119.950 0.301 0.000 2.113 265 F HA -0.157 4.371 4.527 0.002 0.000 0.297 265 F C 2.552 178.321 175.800 -0.052 0.000 1.103 265 F CA 1.691 59.799 58.000 0.181 0.000 1.248 265 F CB -0.742 38.248 39.000 -0.016 0.000 0.999 265 F HN 0.108 nan 8.300 nan 0.000 0.475 266 Q N 0.552 120.376 119.800 0.040 0.000 2.167 266 Q HA -0.138 4.203 4.340 0.002 0.000 0.202 266 Q C 2.195 178.140 176.000 -0.092 0.000 0.970 266 Q CA 1.350 57.124 55.803 -0.048 0.000 0.855 266 Q CB -0.164 28.532 28.738 -0.069 0.000 0.911 266 Q HN 0.260 nan 8.270 nan 0.000 0.438 267 R N -0.981 119.441 120.500 -0.129 0.000 2.093 267 R HA 0.059 4.401 4.340 0.002 0.000 0.224 267 R C 1.694 177.858 176.300 -0.228 0.000 1.101 267 R CA 1.020 57.019 56.100 -0.168 0.000 0.979 267 R CB 0.093 30.286 30.300 -0.178 0.000 0.877 267 R HN 0.327 nan 8.270 nan 0.000 0.441 268 L N -0.763 120.279 121.223 -0.302 0.000 2.357 268 L HA 0.224 4.565 4.340 0.002 0.000 0.211 268 L C 2.489 179.040 176.870 -0.531 0.000 1.075 268 L CA 0.505 55.099 54.840 -0.410 0.000 0.830 268 L CB -0.310 41.414 42.059 -0.559 0.000 0.996 268 L HN 0.171 nan 8.230 nan 0.000 0.467 269 A N 1.308 123.855 122.820 -0.455 0.000 1.948 269 A HA -0.152 4.169 4.320 0.002 0.000 0.220 269 A C -0.191 177.154 177.584 -0.397 0.000 1.177 269 A CA 1.848 53.555 52.037 -0.550 0.000 0.636 269 A CB -1.719 17.350 19.000 0.116 0.000 0.815 269 A HN 0.262 nan 8.150 nan 0.000 0.449 270 P HA -0.119 nan 4.420 nan 0.000 0.220 270 P C 1.217 178.359 177.300 -0.264 0.000 1.148 270 P CA 0.981 63.968 63.100 -0.187 0.000 0.803 270 P CB -0.092 31.520 31.700 -0.147 0.000 0.782 271 R N -1.858 118.402 120.500 -0.400 0.000 2.316 271 R HA 0.046 4.387 4.340 0.002 0.000 0.202 271 R C 0.565 176.391 176.300 -0.790 0.000 1.029 271 R CA 0.772 56.531 56.100 -0.568 0.000 1.018 271 R CB -0.410 29.480 30.300 -0.683 0.000 0.888 271 R HN 0.289 nan 8.270 nan 0.000 0.471 272 F N -0.417 119.254 119.950 -0.465 0.000 2.791 272 F HA 0.298 4.826 4.527 0.002 0.000 0.308 272 F C 1.159 176.851 175.800 -0.180 0.000 1.138 272 F CA -0.170 57.613 58.000 -0.362 0.000 1.294 272 F CB 1.120 39.747 39.000 -0.623 0.000 0.975 272 F HN 0.056 nan 8.300 nan 0.000 0.512 273 G N 1.235 110.008 108.800 -0.045 0.000 2.249 273 G HA2 -0.314 3.647 3.960 0.002 0.000 0.273 273 G HA3 -0.314 3.647 3.960 0.002 0.000 0.273 273 G C -0.399 174.568 174.900 0.113 0.000 1.036 273 G CA 0.389 45.508 45.100 0.032 0.000 0.824 273 G HN 0.387 nan 8.290 nan 0.000 0.504 274 D N -0.241 120.208 120.400 0.083 0.000 2.460 274 D HA 0.392 5.033 4.640 0.002 0.000 0.232 274 D C 1.009 177.409 176.300 0.167 0.000 1.079 274 D CA -0.861 53.255 54.000 0.194 0.000 0.864 274 D CB 0.114 41.075 40.800 0.268 0.000 1.048 274 D HN 0.021 nan 8.370 nan 0.000 0.523 275 N N 3.090 121.933 118.700 0.239 0.000 2.236 275 N HA -0.010 4.732 4.740 0.002 0.000 0.196 275 N C 1.395 177.052 175.510 0.245 0.000 1.114 275 N CA -0.084 53.098 53.050 0.220 0.000 0.859 275 N CB 0.589 39.239 38.487 0.271 0.000 0.982 275 N HN 0.388 nan 8.380 nan 0.000 0.493 276 L N 1.116 122.484 121.223 0.243 0.000 2.023 276 L HA -0.002 4.339 4.340 0.002 0.000 0.205 276 L C 1.940 178.970 176.870 0.266 0.000 1.073 276 L CA 1.802 56.738 54.840 0.160 0.000 0.745 276 L CB -1.029 41.051 42.059 0.036 0.000 0.900 276 L HN -0.022 nan 8.230 nan 0.000 0.435 277 T N 0.406 115.102 114.554 0.237 0.000 2.708 277 T HA -0.079 4.272 4.350 0.002 0.000 0.266 277 T C -0.512 174.225 174.700 0.062 0.000 1.037 277 T CA 1.773 63.961 62.100 0.146 0.000 1.146 277 T CB -1.185 67.661 68.868 -0.038 0.000 0.865 277 T HN 0.280 nan 8.240 nan 0.000 0.435 278 P HA -0.041 nan 4.420 nan 0.000 0.218 278 P C 1.176 178.404 177.300 -0.120 0.000 1.148 278 P CA 0.636 63.707 63.100 -0.048 0.000 0.822 278 P CB -0.173 31.511 31.700 -0.027 0.000 0.784 279 F N -0.896 118.866 119.950 -0.313 0.000 2.161 279 F HA -0.191 4.337 4.527 0.002 0.000 0.300 279 F C 1.727 177.118 175.800 -0.682 0.000 1.089 279 F CA 1.646 59.245 58.000 -0.668 0.000 1.282 279 F CB -0.567 37.701 39.000 -1.220 0.000 1.010 279 F HN -0.173 nan 8.300 nan 0.000 0.485 280 F N -0.191 119.742 119.950 -0.029 0.000 2.270 280 F HA 0.002 4.530 4.527 0.002 0.000 0.295 280 F C 2.220 177.973 175.800 -0.080 0.000 1.087 280 F CA 0.785 58.767 58.000 -0.030 0.000 1.365 280 F CB -0.553 38.539 39.000 0.154 0.000 1.056 280 F HN -0.141 nan 8.300 nan 0.000 0.506 281 I N 0.210 120.816 120.570 0.061 0.000 2.361 281 I HA -0.288 3.883 4.170 0.002 0.000 0.251 281 I C 1.895 177.954 176.117 -0.097 0.000 1.133 281 I CA 0.835 62.144 61.300 0.015 0.000 1.413 281 I CB -0.487 37.465 38.000 -0.081 0.000 1.073 281 I HN 0.160 nan 8.210 nan 0.000 0.424 282 N N 0.881 119.454 118.700 -0.210 0.000 2.149 282 N HA -0.210 4.531 4.740 0.002 0.000 0.188 282 N C 1.839 177.168 175.510 -0.301 0.000 1.019 282 N CA 1.341 54.235 53.050 -0.260 0.000 0.857 282 N CB -0.243 38.012 38.487 -0.387 0.000 0.997 282 N HN 0.504 nan 8.380 nan 0.000 0.426 283 Q N 0.221 119.779 119.800 -0.404 0.000 2.046 283 Q HA 0.035 4.376 4.340 0.002 0.000 0.200 283 Q C 2.157 177.678 176.000 -0.798 0.000 0.975 283 Q CA 1.448 56.877 55.803 -0.625 0.000 0.836 283 Q CB -0.164 28.237 28.738 -0.563 0.000 0.896 283 Q HN 0.378 nan 8.270 nan 0.000 0.428 284 A N 0.988 123.587 122.820 -0.369 0.000 1.908 284 A HA -0.232 4.089 4.320 0.002 0.000 0.218 284 A C 2.074 179.684 177.584 0.043 0.000 1.181 284 A CA 1.360 53.333 52.037 -0.106 0.000 0.627 284 A CB -0.367 18.711 19.000 0.131 0.000 0.818 284 A HN 0.234 nan 8.150 nan 0.000 0.445 285 Q N -0.603 119.203 119.800 0.010 0.000 2.123 285 Q HA -0.080 4.261 4.340 0.002 0.000 0.199 285 Q C 2.174 178.263 176.000 0.149 0.000 0.966 285 Q CA 1.851 57.711 55.803 0.096 0.000 0.845 285 Q CB -1.128 27.621 28.738 0.019 0.000 0.907 285 Q HN 0.670 nan 8.270 nan 0.000 0.439 286 T N 0.754 115.331 114.554 0.039 0.000 2.746 286 T HA -0.111 4.240 4.350 0.002 0.000 0.267 286 T C 1.767 176.638 174.700 0.285 0.000 1.039 286 T CA 1.087 63.252 62.100 0.109 0.000 1.142 286 T CB -0.383 68.510 68.868 0.040 0.000 0.866 286 T HN 0.397 nan 8.240 nan 0.000 0.444 287 Y N -0.237 120.137 120.300 0.123 0.000 2.200 287 Y HA -0.109 4.442 4.550 0.002 0.000 0.290 287 Y C 2.319 178.313 175.900 0.157 0.000 1.137 287 Y CA 0.521 58.703 58.100 0.137 0.000 1.163 287 Y CB -0.366 38.178 38.460 0.140 0.000 0.988 287 Y HN 0.154 nan 8.280 nan 0.000 0.518 288 F N 1.576 121.673 119.950 0.244 0.000 2.102 288 F HA -0.268 4.260 4.527 0.002 0.000 0.298 288 F C 2.344 178.229 175.800 0.141 0.000 1.105 288 F CA 1.500 59.607 58.000 0.178 0.000 1.239 288 F CB -0.258 38.841 39.000 0.165 0.000 0.991 288 F HN -0.024 nan 8.300 nan 0.000 0.474 289 Q N 0.368 120.331 119.800 0.271 0.000 2.167 289 Q HA -0.105 4.237 4.340 0.002 0.000 0.202 289 Q C 2.493 178.523 176.000 0.051 0.000 0.970 289 Q CA 1.494 57.391 55.803 0.157 0.000 0.855 289 Q CB -0.396 28.467 28.738 0.209 0.000 0.911 289 Q HN 0.541 nan 8.270 nan 0.000 0.438 290 I N 0.465 121.087 120.570 0.087 0.000 2.202 290 I HA -0.232 3.939 4.170 0.002 0.000 0.242 290 I C 2.280 178.420 176.117 0.038 0.000 1.091 290 I CA 0.994 62.346 61.300 0.087 0.000 1.368 290 I CB -0.343 37.739 38.000 0.137 0.000 1.058 290 I HN 0.060 nan 8.210 nan 0.000 0.410 291 A N 0.626 123.408 122.820 -0.065 0.000 1.933 291 A HA -0.274 4.047 4.320 0.002 0.000 0.218 291 A C 2.357 179.673 177.584 -0.447 0.000 1.175 291 A CA 1.915 53.756 52.037 -0.327 0.000 0.628 291 A CB -0.573 18.085 19.000 -0.571 0.000 0.814 291 A HN 0.355 nan 8.150 nan 0.000 0.444 292 K N -0.312 119.856 120.400 -0.386 0.000 2.044 292 K HA -0.269 4.052 4.320 0.002 0.000 0.210 292 K C 2.202 178.758 176.600 -0.074 0.000 1.049 292 K CA 1.971 58.109 56.287 -0.249 0.000 0.927 292 K CB -0.253 32.136 32.500 -0.185 0.000 0.713 292 K HN 0.670 nan 8.250 nan 0.000 0.443 293 Q N -0.791 119.005 119.800 -0.005 0.000 2.096 293 Q HA -0.129 4.212 4.340 0.002 0.000 0.204 293 Q C 2.180 178.282 176.000 0.169 0.000 0.982 293 Q CA 1.498 57.351 55.803 0.084 0.000 0.850 293 Q CB -0.196 28.600 28.738 0.096 0.000 0.901 293 Q HN 0.547 nan 8.270 nan 0.000 0.422 294 G N 0.182 109.120 108.800 0.231 0.000 2.394 294 G HA2 -0.167 3.794 3.960 0.002 0.000 0.215 294 G HA3 -0.167 3.794 3.960 0.002 0.000 0.215 294 G C 1.531 176.705 174.900 0.456 0.000 1.165 294 G CA 0.589 46.001 45.100 0.520 0.000 0.784 294 G HN 0.186 nan 8.290 nan 0.000 0.535 295 V N 0.690 120.621 119.914 0.029 0.000 2.332 295 V HA -0.272 3.849 4.120 0.002 0.000 0.248 295 V C 2.915 179.058 176.094 0.081 0.000 1.055 295 V CA 2.282 64.540 62.300 -0.070 0.000 1.038 295 V CB -0.608 31.010 31.823 -0.342 0.000 0.651 295 V HN 0.428 nan 8.190 nan 0.000 0.450 296 Q N -0.515 119.334 119.800 0.080 0.000 2.079 296 Q HA -0.259 4.082 4.340 0.002 0.000 0.200 296 Q C 2.093 178.174 176.000 0.136 0.000 0.974 296 Q CA 1.992 57.868 55.803 0.121 0.000 0.840 296 Q CB -0.242 28.646 28.738 0.250 0.000 0.898 296 Q HN 0.756 nan 8.270 nan 0.000 0.430 297 D N 0.107 120.626 120.400 0.198 0.000 2.097 297 D HA -0.183 4.458 4.640 0.002 0.000 0.195 297 D C 1.749 178.157 176.300 0.179 0.000 0.989 297 D CA 0.699 54.840 54.000 0.235 0.000 0.827 297 D CB 0.071 41.066 40.800 0.325 0.000 0.966 297 D HN 0.083 nan 8.370 nan 0.000 0.456 298 L N -0.467 120.797 121.223 0.069 0.000 1.988 298 L HA -0.105 4.237 4.340 0.002 0.000 0.207 298 L C 1.799 178.436 176.870 -0.388 0.000 1.071 298 L CA 1.723 56.397 54.840 -0.278 0.000 0.744 298 L CB -1.066 40.588 42.059 -0.675 0.000 0.893 298 L HN 0.212 nan 8.230 nan 0.000 0.433 299 Y N -2.126 118.124 120.300 -0.082 0.000 2.373 299 Y HA -0.167 4.384 4.550 0.002 0.000 0.293 299 Y C 1.842 177.654 175.900 -0.147 0.000 1.129 299 Y CA 1.715 59.715 58.100 -0.168 0.000 1.226 299 Y CB -0.243 38.117 38.460 -0.166 0.000 1.000 299 Y HN 0.251 nan 8.280 nan 0.000 0.549 300 Y N -2.039 118.405 120.300 0.239 0.000 2.447 300 Y HA -0.018 4.533 4.550 0.002 0.000 0.286 300 Y C 2.356 178.316 175.900 0.100 0.000 1.153 300 Y CA 0.228 58.428 58.100 0.166 0.000 1.241 300 Y CB -0.521 38.034 38.460 0.158 0.000 1.284 300 Y HN -0.054 nan 8.280 nan 0.000 0.520 301 N N 0.202 119.040 118.700 0.230 0.000 2.084 301 N HA -0.177 4.564 4.740 0.002 0.000 0.190 301 N C 1.404 176.966 175.510 0.085 0.000 1.030 301 N CA 1.749 54.884 53.050 0.143 0.000 0.849 301 N CB -0.104 38.462 38.487 0.133 0.000 1.012 301 N HN 0.305 nan 8.380 nan 0.000 0.423 302 C N -0.164 119.172 119.300 0.059 0.000 2.564 302 C HA 0.150 4.611 4.460 0.002 0.000 0.281 302 C C 2.546 177.518 174.990 -0.031 0.000 1.314 302 C CA -0.204 58.816 59.018 0.004 0.000 1.706 302 C CB -0.867 26.867 27.740 -0.010 0.000 2.109 302 C HN 0.430 nan 8.230 nan 0.000 0.502 303 L N 1.399 122.598 121.223 -0.041 0.000 2.121 303 L HA 0.185 4.526 4.340 0.002 0.000 0.200 303 L C 2.698 179.596 176.870 0.047 0.000 1.077 303 L CA 2.280 57.095 54.840 -0.041 0.000 0.766 303 L CB -2.073 39.949 42.059 -0.062 0.000 0.931 303 L HN 0.391 nan 8.230 nan 0.000 0.452 304 G N -0.917 107.953 108.800 0.116 0.000 2.448 304 G HA2 -0.197 3.764 3.960 0.002 0.000 0.219 304 G HA3 -0.197 3.764 3.960 0.002 0.000 0.219 304 G C 0.761 175.732 174.900 0.117 0.000 1.127 304 G CA 0.718 45.908 45.100 0.150 0.000 0.766 304 G HN 0.358 nan 8.290 nan 0.000 0.552 305 D N 0.205 120.669 120.400 0.106 0.000 2.424 305 D HA 0.096 4.737 4.640 0.002 0.000 0.220 305 D C 0.187 176.517 176.300 0.050 0.000 1.150 305 D CA -0.368 53.677 54.000 0.075 0.000 0.831 305 D CB 0.189 41.036 40.800 0.078 0.000 0.981 305 D HN 0.237 nan 8.370 nan 0.000 0.500 306 D N 2.098 122.530 120.400 0.054 0.000 2.533 306 D HA -0.054 4.588 4.640 0.002 0.000 0.236 306 D C -1.164 175.150 176.300 0.023 0.000 1.137 306 D CA -1.001 53.026 54.000 0.046 0.000 0.867 306 D CB 1.898 42.759 40.800 0.101 0.000 1.170 306 D HN -0.009 nan 8.370 nan 0.000 0.474 307 P HA -0.122 nan 4.420 nan 0.000 0.221 307 P C 0.649 177.892 177.300 -0.095 0.000 1.145 307 P CA 1.185 64.265 63.100 -0.035 0.000 0.795 307 P CB 0.441 32.124 31.700 -0.029 0.000 0.775 308 E N -1.963 118.141 120.200 -0.160 0.000 2.330 308 E HA 0.124 4.475 4.350 0.002 0.000 0.200 308 E C 0.855 177.083 176.600 -0.619 0.000 0.922 308 E CA 0.246 56.385 56.400 -0.434 0.000 0.935 308 E CB 0.174 29.479 29.700 -0.658 0.000 0.917 308 E HN 0.228 nan 8.360 nan 0.000 0.491 309 F N -0.109 119.841 119.950 -0.001 0.000 2.668 309 F HA 0.214 4.742 4.527 0.002 0.000 0.301 309 F C 1.931 177.774 175.800 0.072 0.000 1.106 309 F CA -0.258 57.772 58.000 0.050 0.000 1.289 309 F CB 0.639 39.670 39.000 0.052 0.000 1.006 309 F HN -0.083 nan 8.300 nan 0.000 0.535 310 S N 1.060 116.837 115.700 0.128 0.000 2.369 310 S HA -0.333 4.138 4.470 0.002 0.000 0.225 310 S C 2.044 176.697 174.600 0.088 0.000 1.043 310 S CA 2.636 60.892 58.200 0.094 0.000 1.074 310 S CB -0.406 62.824 63.200 0.050 0.000 0.962 310 S HN 0.545 nan 8.310 nan 0.000 0.433 311 D N -1.314 119.133 120.400 0.079 0.000 2.123 311 D HA -0.184 4.457 4.640 0.002 0.000 0.196 311 D C 1.883 178.233 176.300 0.084 0.000 0.992 311 D CA 1.579 55.619 54.000 0.066 0.000 0.833 311 D CB -0.385 40.449 40.800 0.056 0.000 0.954 311 D HN 0.636 nan 8.370 nan 0.000 0.455 312 Y N 1.073 121.400 120.300 0.046 0.000 2.114 312 Y HA -0.187 4.365 4.550 0.002 0.000 0.284 312 Y C 1.934 177.819 175.900 -0.025 0.000 1.143 312 Y CA 1.836 59.963 58.100 0.046 0.000 1.135 312 Y CB -0.552 38.003 38.460 0.158 0.000 0.980 312 Y HN -0.021 nan 8.280 nan 0.000 0.499 313 N N 0.486 119.126 118.700 -0.100 0.000 2.166 313 N HA -0.146 4.595 4.740 0.002 0.000 0.186 313 N C 1.883 177.213 175.510 -0.299 0.000 1.019 313 N CA 1.566 54.455 53.050 -0.267 0.000 0.856 313 N CB -0.363 38.099 38.487 -0.042 0.000 0.993 313 N HN 0.471 nan 8.380 nan 0.000 0.426 314 R N 0.008 120.423 120.500 -0.143 0.000 2.092 314 R HA 0.015 4.356 4.340 0.002 0.000 0.231 314 R C 1.993 178.197 176.300 -0.159 0.000 1.119 314 R CA 1.277 57.318 56.100 -0.098 0.000 0.970 314 R CB -0.449 29.847 30.300 -0.006 0.000 0.864 314 R HN 0.192 nan 8.270 nan 0.000 0.440 315 T N 0.828 115.264 114.554 -0.197 0.000 2.708 315 T HA -0.101 4.250 4.350 0.002 0.000 0.266 315 T C 2.007 176.508 174.700 -0.332 0.000 1.037 315 T CA 1.378 63.361 62.100 -0.195 0.000 1.146 315 T CB -0.136 68.635 68.868 -0.163 0.000 0.865 315 T HN -0.001 nan 8.240 nan 0.000 0.435 316 V N 1.365 120.928 119.914 -0.586 0.000 2.358 316 V HA -0.134 3.987 4.120 0.002 0.000 0.246 316 V C 2.468 177.919 176.094 -1.073 0.000 1.047 316 V CA 1.574 63.354 62.300 -0.866 0.000 1.035 316 V CB -0.584 30.578 31.823 -1.102 0.000 0.658 316 V HN 0.477 nan 8.190 nan 0.000 0.452 317 M N -0.865 118.213 119.600 -0.870 0.000 2.229 317 M HA -0.146 4.335 4.480 0.002 0.000 0.264 317 M C 2.435 178.605 176.300 -0.217 0.000 1.063 317 M CA 1.663 56.486 55.300 -0.795 0.000 1.114 317 M CB -0.366 31.786 32.600 -0.746 0.000 1.387 317 M HN 0.200 nan 8.290 nan 0.000 0.420 318 R N 0.014 120.471 120.500 -0.073 0.000 2.092 318 R HA -0.104 4.237 4.340 0.002 0.000 0.231 318 R C 2.118 178.536 176.300 0.197 0.000 1.119 318 R CA 1.129 57.353 56.100 0.205 0.000 0.970 318 R CB -0.443 30.006 30.300 0.248 0.000 0.864 318 R HN 0.395 nan 8.270 nan 0.000 0.440 319 N N 0.453 119.162 118.700 0.014 0.000 2.084 319 N HA -0.195 4.546 4.740 0.002 0.000 0.190 319 N C 1.341 176.991 175.510 0.232 0.000 1.030 319 N CA 1.319 54.406 53.050 0.061 0.000 0.849 319 N CB -0.063 38.374 38.487 -0.083 0.000 1.012 319 N HN 0.236 nan 8.380 nan 0.000 0.423 320 W N 1.289 122.653 121.300 0.107 0.000 2.402 320 W HA 0.049 4.711 4.660 0.002 0.000 0.286 320 W C 2.391 179.113 176.519 0.339 0.000 1.221 320 W CA 0.868 58.357 57.345 0.239 0.000 1.257 320 W CB -1.381 28.230 29.460 0.251 0.000 1.120 320 W HN 0.076 nan 8.180 nan 0.000 0.551 321 T N -0.244 114.599 114.554 0.481 0.000 2.708 321 T HA -0.108 4.243 4.350 0.002 0.000 0.266 321 T C 2.094 176.870 174.700 0.127 0.000 1.037 321 T CA 1.996 64.232 62.100 0.226 0.000 1.146 321 T CB -0.836 67.904 68.868 -0.213 0.000 0.865 321 T HN 0.246 nan 8.240 nan 0.000 0.435 322 G N 1.370 110.300 108.800 0.218 0.000 2.418 322 G HA2 -0.227 3.735 3.960 0.002 0.000 0.217 322 G HA3 -0.227 3.735 3.960 0.002 0.000 0.217 322 G C 1.483 176.470 174.900 0.145 0.000 1.158 322 G CA 1.062 46.331 45.100 0.282 0.000 0.771 322 G HN 0.474 nan 8.290 nan 0.000 0.545 323 K N -0.649 119.811 120.400 0.101 0.000 2.032 323 K HA -0.146 4.175 4.320 0.002 0.000 0.209 323 K C 2.051 178.464 176.600 -0.312 0.000 1.048 323 K CA 1.493 57.691 56.287 -0.147 0.000 0.927 323 K CB -0.282 32.090 32.500 -0.213 0.000 0.712 323 K HN 0.528 nan 8.250 nan 0.000 0.441 324 W N 0.099 121.456 121.300 0.096 0.000 3.114 324 W HA 0.105 4.767 4.660 0.002 0.000 0.279 324 W C 1.548 178.080 176.519 0.023 0.000 1.277 324 W CA -0.661 56.709 57.345 0.043 0.000 1.630 324 W CB 0.142 29.622 29.460 0.033 0.000 1.087 324 W HN 0.121 nan 8.180 nan 0.000 0.637 325 L N 0.952 122.285 121.223 0.183 0.000 2.093 325 L HA -0.123 4.218 4.340 0.002 0.000 0.208 325 L C 2.251 179.162 176.870 0.068 0.000 1.085 325 L CA 2.052 56.938 54.840 0.077 0.000 0.755 325 L CB -0.752 41.356 42.059 0.081 0.000 0.904 325 L HN -0.124 nan 8.230 nan 0.000 0.435 326 E N 0.042 120.281 120.200 0.066 0.000 2.031 326 E HA -0.145 4.207 4.350 0.002 0.000 0.193 326 E C -0.648 175.978 176.600 0.043 0.000 0.994 326 E CA 1.979 58.402 56.400 0.039 0.000 0.800 326 E CB -1.075 28.630 29.700 0.008 0.000 0.752 326 E HN 0.405 nan 8.360 nan 0.000 0.447 327 P HA -0.073 nan 4.420 nan 0.000 0.223 327 P C 0.951 178.329 177.300 0.130 0.000 1.151 327 P CA 1.285 64.436 63.100 0.084 0.000 0.787 327 P CB 0.040 31.812 31.700 0.120 0.000 0.788 328 T N 0.451 115.110 114.554 0.175 0.000 2.737 328 T HA -0.028 4.323 4.350 0.002 0.000 0.265 328 T C 1.961 176.708 174.700 0.079 0.000 1.038 328 T CA 0.906 63.118 62.100 0.186 0.000 1.144 328 T CB -0.667 68.275 68.868 0.124 0.000 0.866 328 T HN 0.062 nan 8.240 nan 0.000 0.434 329 I N 1.368 121.958 120.570 0.034 0.000 2.286 329 I HA -0.187 3.984 4.170 0.002 0.000 0.248 329 I C 2.853 178.991 176.117 0.037 0.000 1.115 329 I CA 1.045 62.352 61.300 0.012 0.000 1.392 329 I CB -0.396 37.605 38.000 0.001 0.000 1.065 329 I HN 0.194 nan 8.210 nan 0.000 0.418 330 A N 0.614 123.458 122.820 0.040 0.000 1.972 330 A HA -0.140 4.181 4.320 0.002 0.000 0.219 330 A C 2.526 180.141 177.584 0.051 0.000 1.169 330 A CA 1.722 53.781 52.037 0.036 0.000 0.635 330 A CB -0.688 18.325 19.000 0.021 0.000 0.810 330 A HN 0.436 nan 8.150 nan 0.000 0.446 331 A N -0.184 122.662 122.820 0.043 0.000 1.877 331 A HA -0.032 4.290 4.320 0.002 0.000 0.216 331 A C 2.169 179.896 177.584 0.238 0.000 1.186 331 A CA 1.477 53.502 52.037 -0.021 0.000 0.620 331 A CB -0.606 18.206 19.000 -0.314 0.000 0.822 331 A HN 0.458 nan 8.150 nan 0.000 0.443 332 L N -1.093 120.303 121.223 0.288 0.000 2.046 332 L HA -0.178 4.164 4.340 0.002 0.000 0.208 332 L C 2.819 179.798 176.870 0.182 0.000 1.077 332 L CA 1.681 56.687 54.840 0.276 0.000 0.747 332 L CB -0.450 41.635 42.059 0.043 0.000 0.896 332 L HN 0.453 nan 8.230 nan 0.000 0.432 333 R N 0.217 120.781 120.500 0.106 0.000 2.083 333 R HA -0.207 4.134 4.340 0.002 0.000 0.237 333 R C 1.838 178.196 176.300 0.096 0.000 1.137 333 R CA 2.182 58.326 56.100 0.073 0.000 0.951 333 R CB -0.204 30.122 30.300 0.043 0.000 0.851 333 R HN 0.323 nan 8.270 nan 0.000 0.434 334 D N -0.277 120.192 120.400 0.116 0.000 2.144 334 D HA -0.158 4.483 4.640 0.002 0.000 0.200 334 D C 1.508 177.871 176.300 0.106 0.000 0.978 334 D CA 0.876 54.932 54.000 0.093 0.000 0.833 334 D CB -0.327 40.526 40.800 0.088 0.000 0.961 334 D HN 0.187 nan 8.370 nan 0.000 0.470 335 F N 1.068 121.053 119.950 0.058 0.000 2.269 335 F HA -0.162 4.366 4.527 0.002 0.000 0.301 335 F C 2.063 177.829 175.800 -0.057 0.000 1.082 335 F CA 0.894 58.884 58.000 -0.017 0.000 1.360 335 F CB -0.103 38.992 39.000 0.158 0.000 1.041 335 F HN -0.155 nan 8.300 nan 0.000 0.512 336 M N 0.036 119.686 119.600 0.083 0.000 2.260 336 M HA -0.141 4.340 4.480 0.002 0.000 0.261 336 M C 2.489 178.829 176.300 0.066 0.000 1.066 336 M CA 1.314 56.732 55.300 0.196 0.000 1.082 336 M CB -2.264 30.446 32.600 0.182 0.000 1.388 336 M HN 0.280 nan 8.290 nan 0.000 0.419 337 G N -0.059 108.692 108.800 -0.080 0.000 2.470 337 G HA2 -0.165 3.796 3.960 0.002 0.000 0.220 337 G HA3 -0.165 3.796 3.960 0.002 0.000 0.220 337 G C 1.510 176.274 174.900 -0.226 0.000 1.121 337 G CA 0.363 45.403 45.100 -0.100 0.000 0.766 337 G HN 0.401 nan 8.290 nan 0.000 0.553 338 L N -0.227 120.672 121.223 -0.541 0.000 2.201 338 L HA 0.218 4.559 4.340 0.002 0.000 0.212 338 L C 2.379 179.010 176.870 -0.398 0.000 1.105 338 L CA 1.115 55.515 54.840 -0.733 0.000 0.775 338 L CB -0.601 40.586 42.059 -1.454 0.000 0.913 338 L HN 0.255 nan 8.230 nan 0.000 0.440 339 F N -0.235 119.666 119.950 -0.081 0.000 2.161 339 F HA -0.213 4.315 4.527 0.002 0.000 0.300 339 F C 2.460 178.290 175.800 0.050 0.000 1.089 339 F CA 1.172 59.214 58.000 0.070 0.000 1.282 339 F CB -0.799 38.247 39.000 0.076 0.000 1.010 339 F HN 0.185 nan 8.300 nan 0.000 0.485 340 A N -0.189 122.730 122.820 0.164 0.000 2.121 340 A HA -0.139 4.182 4.320 0.002 0.000 0.218 340 A C 1.975 179.624 177.584 0.108 0.000 1.154 340 A CA 1.149 53.256 52.037 0.117 0.000 0.679 340 A CB -0.531 18.514 19.000 0.074 0.000 0.795 340 A HN 0.375 nan 8.150 nan 0.000 0.458 341 K N -0.684 119.777 120.400 0.101 0.000 2.400 341 K HA 0.257 4.578 4.320 0.002 0.000 0.194 341 K C -0.065 176.736 176.600 0.334 0.000 1.033 341 K CA -0.147 56.237 56.287 0.162 0.000 1.021 341 K CB 0.004 32.535 32.500 0.051 0.000 0.808 341 K HN 0.397 nan 8.250 nan 0.000 0.505 342 L N 2.388 123.772 121.223 0.268 0.000 2.452 342 L HA 0.134 4.476 4.340 0.002 0.000 0.267 342 L C -2.092 174.882 176.870 0.173 0.000 1.188 342 L CA -2.042 52.897 54.840 0.165 0.000 0.821 342 L CB -0.016 42.102 42.059 0.098 0.000 1.102 342 L HN -0.183 nan 8.230 nan 0.000 0.470 343 P HA 0.031 nan 4.420 nan 0.000 0.267 343 P C -0.716 176.662 177.300 0.130 0.000 1.200 343 P CA -0.223 62.984 63.100 0.179 0.000 0.772 343 P CB 0.573 32.418 31.700 0.242 0.000 0.855 344 A N 2.864 125.743 122.820 0.098 0.000 2.565 344 A HA 0.386 4.707 4.320 0.002 0.000 0.237 344 A C 1.541 179.149 177.584 0.039 0.000 1.053 344 A CA 0.776 52.852 52.037 0.065 0.000 0.755 344 A CB -1.276 17.755 19.000 0.052 0.000 0.980 344 A HN 0.912 nan 8.150 nan 0.000 0.506 345 G N 1.679 110.490 108.800 0.019 0.000 2.159 345 G HA2 -0.275 3.687 3.960 0.002 0.000 0.256 345 G HA3 -0.275 3.687 3.960 0.002 0.000 0.256 345 G C 0.893 175.766 174.900 -0.045 0.000 0.977 345 G CA 1.070 46.160 45.100 -0.015 0.000 0.652 345 G HN 1.050 nan 8.290 nan 0.000 0.531 346 T N -0.818 113.726 114.554 -0.017 0.000 2.737 346 T HA 0.252 4.603 4.350 0.002 0.000 0.265 346 T C 1.265 175.915 174.700 -0.083 0.000 1.038 346 T CA 2.334 64.399 62.100 -0.058 0.000 1.144 346 T CB 0.034 68.943 68.868 0.069 0.000 0.866 346 T HN 0.866 nan 8.240 nan 0.000 0.434 347 T N 0.201 114.735 114.554 -0.033 0.000 2.645 347 T HA 0.517 4.868 4.350 0.002 0.000 0.300 347 T C -2.274 172.396 174.700 -0.050 0.000 1.210 347 T CA -0.638 61.428 62.100 -0.056 0.000 1.034 347 T CB 1.739 70.577 68.868 -0.049 0.000 1.537 347 T HN 0.348 nan 8.240 nan 0.000 0.492 348 D N -0.527 119.823 120.400 -0.083 0.000 2.664 348 D HA 0.371 5.012 4.640 0.002 0.000 0.292 348 D C 0.575 176.804 176.300 -0.119 0.000 1.214 348 D CA -0.782 53.170 54.000 -0.079 0.000 0.932 348 D CB 0.932 41.700 40.800 -0.053 0.000 1.420 348 D HN 0.544 nan 8.370 nan 0.000 0.471 349 K N -0.797 119.548 120.400 -0.092 0.000 2.147 349 K HA -0.161 4.160 4.320 0.002 0.000 0.205 349 K C 1.009 177.571 176.600 -0.063 0.000 1.049 349 K CA 1.425 57.656 56.287 -0.094 0.000 0.936 349 K CB 0.081 32.549 32.500 -0.054 0.000 0.722 349 K HN 0.334 nan 8.250 nan 0.000 0.446 350 E N 0.792 120.966 120.200 -0.043 0.000 2.106 350 E HA -0.132 4.219 4.350 0.002 0.000 0.192 350 E C 1.683 178.273 176.600 -0.016 0.000 0.984 350 E CA 1.215 57.603 56.400 -0.019 0.000 0.806 350 E CB 0.034 29.722 29.700 -0.019 0.000 0.750 350 E HN 0.382 nan 8.360 nan 0.000 0.458 351 E N 0.119 120.292 120.200 -0.044 0.000 2.072 351 E HA -0.088 4.263 4.350 0.002 0.000 0.190 351 E C 2.163 178.744 176.600 -0.032 0.000 0.982 351 E CA 0.705 57.080 56.400 -0.041 0.000 0.803 351 E CB -0.129 29.529 29.700 -0.069 0.000 0.755 351 E HN 0.258 nan 8.360 nan 0.000 0.453 352 I N 1.147 121.655 120.570 -0.104 0.000 2.179 352 I HA -0.266 3.905 4.170 0.002 0.000 0.242 352 I C 2.481 178.614 176.117 0.027 0.000 1.088 352 I CA 1.229 62.454 61.300 -0.125 0.000 1.357 352 I CB -0.453 37.285 38.000 -0.437 0.000 1.051 352 I HN 0.078 nan 8.210 nan 0.000 0.409 353 T N 0.767 115.334 114.554 0.023 0.000 2.746 353 T HA -0.178 4.173 4.350 0.002 0.000 0.267 353 T C 2.068 176.911 174.700 0.237 0.000 1.039 353 T CA 1.506 63.674 62.100 0.114 0.000 1.142 353 T CB -0.365 68.581 68.868 0.130 0.000 0.866 353 T HN 0.489 nan 8.240 nan 0.000 0.444 354 A N 1.915 124.838 122.820 0.172 0.000 1.902 354 A HA -0.130 4.191 4.320 0.002 0.000 0.217 354 A C 2.606 180.309 177.584 0.197 0.000 1.181 354 A CA 2.288 54.432 52.037 0.178 0.000 0.623 354 A CB -0.959 18.090 19.000 0.081 0.000 0.818 354 A HN 0.621 nan 8.150 nan 0.000 0.443 355 S N -0.672 115.130 115.700 0.171 0.000 2.383 355 S HA -0.104 4.367 4.470 0.002 0.000 0.227 355 S C 1.796 176.590 174.600 0.323 0.000 1.026 355 S CA 1.425 59.744 58.200 0.198 0.000 0.981 355 S CB -0.491 62.800 63.200 0.151 0.000 0.818 355 S HN 0.212 nan 8.310 nan 0.000 0.472 356 L N 0.566 121.987 121.223 0.329 0.000 2.046 356 L HA 0.107 4.448 4.340 0.002 0.000 0.208 356 L C 2.364 179.287 176.870 0.089 0.000 1.077 356 L CA 1.525 56.476 54.840 0.185 0.000 0.747 356 L CB -1.669 40.358 42.059 -0.054 0.000 0.896 356 L HN 0.307 nan 8.230 nan 0.000 0.432 357 Y N -0.281 120.101 120.300 0.136 0.000 2.274 357 Y HA -0.188 4.363 4.550 0.002 0.000 0.290 357 Y C 2.734 178.716 175.900 0.137 0.000 1.145 357 Y CA 1.217 59.390 58.100 0.122 0.000 1.203 357 Y CB -0.239 38.275 38.460 0.089 0.000 0.984 357 Y HN 0.144 nan 8.280 nan 0.000 0.533 358 R N -0.803 119.861 120.500 0.273 0.000 2.073 358 R HA -0.152 4.189 4.340 0.002 0.000 0.234 358 R C 2.202 178.628 176.300 0.210 0.000 1.134 358 R CA 1.709 57.931 56.100 0.204 0.000 0.952 358 R CB -0.831 29.557 30.300 0.146 0.000 0.850 358 R HN 0.174 nan 8.270 nan 0.000 0.433 359 V N 0.515 120.560 119.914 0.218 0.000 2.295 359 V HA -0.227 3.894 4.120 0.002 0.000 0.246 359 V C 2.369 178.624 176.094 0.268 0.000 1.049 359 V CA 1.674 64.108 62.300 0.223 0.000 1.024 359 V CB -0.301 31.671 31.823 0.248 0.000 0.648 359 V HN 0.139 nan 8.190 nan 0.000 0.447 360 V N 0.083 120.139 119.914 0.236 0.000 2.307 360 V HA -0.241 3.880 4.120 0.002 0.000 0.245 360 V C 2.282 178.613 176.094 0.395 0.000 1.045 360 V CA 2.198 64.681 62.300 0.305 0.000 1.024 360 V CB -0.715 31.206 31.823 0.164 0.000 0.651 360 V HN 0.548 nan 8.190 nan 0.000 0.449 361 D N 0.003 120.592 120.400 0.316 0.000 2.117 361 D HA -0.158 4.483 4.640 0.002 0.000 0.197 361 D C 1.911 178.357 176.300 0.243 0.000 0.987 361 D CA 1.351 55.512 54.000 0.268 0.000 0.829 361 D CB -0.369 40.568 40.800 0.228 0.000 0.961 361 D HN 0.405 nan 8.370 nan 0.000 0.460 362 D N -0.511 120.047 120.400 0.264 0.000 2.117 362 D HA -0.141 4.500 4.640 0.002 0.000 0.197 362 D C 1.793 178.296 176.300 0.339 0.000 0.987 362 D CA 0.549 54.701 54.000 0.254 0.000 0.829 362 D CB -0.412 40.542 40.800 0.258 0.000 0.961 362 D HN 0.338 nan 8.370 nan 0.000 0.460 363 W N 1.364 122.821 121.300 0.263 0.000 2.381 363 W HA -0.030 4.631 4.660 0.002 0.000 0.301 363 W C 1.971 178.680 176.519 0.316 0.000 1.205 363 W CA 0.935 58.506 57.345 0.376 0.000 1.285 363 W CB -0.386 29.227 29.460 0.254 0.000 1.133 363 W HN -0.123 nan 8.180 nan 0.000 0.521 364 I N 0.369 120.996 120.570 0.095 0.000 2.226 364 I HA -0.278 3.893 4.170 0.002 0.000 0.245 364 I C 2.552 178.591 176.117 -0.129 0.000 1.100 364 I CA 1.951 63.164 61.300 -0.144 0.000 1.374 364 I CB -0.646 37.396 38.000 0.069 0.000 1.057 364 I HN 0.105 nan 8.210 nan 0.000 0.413 365 E N 0.988 121.173 120.200 -0.025 0.000 2.047 365 E HA -0.236 4.115 4.350 0.002 0.000 0.191 365 E C 1.445 177.964 176.600 -0.136 0.000 0.987 365 E CA 1.514 57.884 56.400 -0.051 0.000 0.799 365 E CB 0.142 29.847 29.700 0.007 0.000 0.752 365 E HN 0.405 nan 8.360 nan 0.000 0.449 366 D N -1.447 118.851 120.400 -0.170 0.000 2.249 366 D HA -0.045 4.596 4.640 0.002 0.000 0.205 366 D C 0.816 176.725 176.300 -0.651 0.000 0.962 366 D CA 1.018 54.768 54.000 -0.418 0.000 0.860 366 D CB 0.169 40.636 40.800 -0.556 0.000 0.955 366 D HN 0.346 nan 8.370 nan 0.000 0.505 367 Y N -0.225 119.947 120.300 -0.213 0.000 3.105 367 Y HA 0.379 4.930 4.550 0.002 0.000 0.216 367 Y C 2.241 177.871 175.900 -0.450 0.000 0.943 367 Y CA 0.033 57.978 58.100 -0.259 0.000 1.535 367 Y CB -0.718 37.663 38.460 -0.132 0.000 1.475 367 Y HN -0.154 nan 8.280 nan 0.000 0.435 368 A N 0.904 123.375 122.820 -0.582 0.000 1.903 368 A HA -0.276 4.045 4.320 0.002 0.000 0.219 368 A C 2.269 179.748 177.584 -0.174 0.000 1.191 368 A CA 2.963 54.712 52.037 -0.479 0.000 0.638 368 A CB -1.309 17.171 19.000 -0.867 0.000 0.823 368 A HN 0.538 nan 8.150 nan 0.000 0.451 369 S N -0.736 114.840 115.700 -0.208 0.000 2.447 369 S HA -0.106 4.365 4.470 0.002 0.000 0.233 369 S C 1.758 176.265 174.600 -0.154 0.000 1.006 369 S CA 0.821 58.945 58.200 -0.128 0.000 0.957 369 S CB -0.350 62.784 63.200 -0.111 0.000 0.773 369 S HN 0.542 nan 8.310 nan 0.000 0.507 370 R N 1.712 122.031 120.500 -0.301 0.000 2.237 370 R HA 0.143 4.484 4.340 0.002 0.000 0.219 370 R C 1.809 177.987 176.300 -0.205 0.000 1.080 370 R CA 1.131 56.994 56.100 -0.395 0.000 0.995 370 R CB -0.890 28.778 30.300 -1.052 0.000 0.875 370 R HN 0.826 nan 8.270 nan 0.000 0.462 371 I N -2.722 117.798 120.570 -0.083 0.000 4.050 371 I HA 0.265 4.436 4.170 0.002 0.000 0.327 371 I C -0.940 175.222 176.117 0.075 0.000 1.473 371 I CA -0.317 61.018 61.300 0.058 0.000 1.124 371 I CB 0.424 38.527 38.000 0.172 0.000 1.129 371 I HN -0.236 nan 8.210 nan 0.000 0.428 372 D N 1.573 121.998 120.400 0.041 0.000 2.870 372 D HA -0.268 4.374 4.640 0.002 0.000 0.228 372 D C -0.274 176.075 176.300 0.082 0.000 1.147 372 D CA 0.874 54.898 54.000 0.040 0.000 0.757 372 D CB -1.578 39.234 40.800 0.021 0.000 1.091 372 D HN 0.541 nan 8.370 nan 0.000 0.429 373 F N 1.623 121.569 119.950 -0.007 0.000 2.444 373 F HA 0.219 4.747 4.527 0.002 0.000 0.360 373 F C 0.644 176.459 175.800 0.025 0.000 1.106 373 F CA -0.547 57.473 58.000 0.033 0.000 1.170 373 F CB 0.617 39.662 39.000 0.075 0.000 1.113 373 F HN -0.359 nan 8.300 nan 0.000 0.521 374 K N 6.669 126.749 120.400 -0.533 0.000 2.167 374 K HA 0.328 4.649 4.320 0.002 0.000 0.275 374 K C -0.226 176.175 176.600 -0.332 0.000 1.103 374 K CA -0.044 56.044 56.287 -0.332 0.000 0.963 374 K CB 0.179 32.531 32.500 -0.246 0.000 1.243 374 K HN 0.621 nan 8.250 nan 0.000 0.407 375 A N 2.479 125.319 122.820 0.033 0.000 2.310 375 A HA 0.211 4.533 4.320 0.002 0.000 0.299 375 A C -0.309 177.392 177.584 0.194 0.000 1.147 375 A CA -0.597 51.618 52.037 0.297 0.000 0.818 375 A CB 0.495 19.856 19.000 0.602 0.000 1.096 375 A HN 0.518 nan 8.150 nan 0.000 0.495 376 D N 1.942 122.458 120.400 0.193 0.000 2.454 376 D HA 0.160 4.802 4.640 0.002 0.000 0.225 376 D C 1.494 177.904 176.300 0.183 0.000 1.081 376 D CA -0.483 53.605 54.000 0.148 0.000 0.864 376 D CB 0.699 41.562 40.800 0.105 0.000 1.040 376 D HN 0.635 nan 8.370 nan 0.000 0.517 377 R N 2.822 123.449 120.500 0.211 0.000 2.103 377 R HA -0.157 4.184 4.340 0.002 0.000 0.242 377 R C 0.513 176.918 176.300 0.175 0.000 1.142 377 R CA 1.133 57.372 56.100 0.233 0.000 0.960 377 R CB -0.217 30.281 30.300 0.330 0.000 0.858 377 R HN 0.253 nan 8.270 nan 0.000 0.439 378 D N 0.786 121.321 120.400 0.225 0.000 2.117 378 D HA -0.198 4.443 4.640 0.002 0.000 0.198 378 D C 2.061 178.416 176.300 0.091 0.000 0.982 378 D CA 1.322 55.443 54.000 0.203 0.000 0.828 378 D CB -0.304 40.617 40.800 0.202 0.000 0.967 378 D HN 0.477 nan 8.370 nan 0.000 0.464 379 Q N 0.596 120.450 119.800 0.089 0.000 2.096 379 Q HA -0.155 4.186 4.340 0.002 0.000 0.204 379 Q C 2.349 178.373 176.000 0.040 0.000 0.982 379 Q CA 1.135 56.976 55.803 0.064 0.000 0.850 379 Q CB -0.087 28.696 28.738 0.075 0.000 0.901 379 Q HN 0.270 nan 8.270 nan 0.000 0.422 380 I N -0.111 120.485 120.570 0.044 0.000 2.163 380 I HA -0.257 3.914 4.170 0.002 0.000 0.240 380 I C 2.302 178.376 176.117 -0.071 0.000 1.081 380 I CA 0.834 62.138 61.300 0.006 0.000 1.353 380 I CB -0.273 37.749 38.000 0.036 0.000 1.054 380 I HN 0.096 nan 8.210 nan 0.000 0.407 381 V N 0.949 120.771 119.914 -0.153 0.000 2.295 381 V HA -0.261 3.860 4.120 0.002 0.000 0.246 381 V C 2.539 178.557 176.094 -0.128 0.000 1.049 381 V CA 1.654 63.798 62.300 -0.260 0.000 1.024 381 V CB -0.710 30.724 31.823 -0.649 0.000 0.648 381 V HN 0.343 nan 8.190 nan 0.000 0.447 382 K N 0.723 121.090 120.400 -0.056 0.000 2.063 382 K HA -0.075 4.246 4.320 0.002 0.000 0.208 382 K C 2.266 178.858 176.600 -0.013 0.000 1.048 382 K CA 1.659 57.939 56.287 -0.011 0.000 0.928 382 K CB -1.115 31.399 32.500 0.023 0.000 0.713 382 K HN 0.484 nan 8.250 nan 0.000 0.442 383 A N 0.954 123.767 122.820 -0.013 0.000 1.933 383 A HA -0.116 4.205 4.320 0.002 0.000 0.218 383 A C 2.511 180.086 177.584 -0.016 0.000 1.175 383 A CA 1.661 53.695 52.037 -0.005 0.000 0.628 383 A CB -0.570 18.432 19.000 0.005 0.000 0.814 383 A HN 0.071 nan 8.150 nan 0.000 0.444 384 V N -0.096 119.792 119.914 -0.043 0.000 2.323 384 V HA -0.176 3.945 4.120 0.002 0.000 0.244 384 V C 2.409 178.480 176.094 -0.039 0.000 1.041 384 V CA 1.609 63.877 62.300 -0.053 0.000 1.025 384 V CB -0.710 31.043 31.823 -0.117 0.000 0.656 384 V HN 0.563 nan 8.190 nan 0.000 0.451 385 L N 0.478 121.673 121.223 -0.047 0.000 2.353 385 L HA -0.129 4.212 4.340 0.002 0.000 0.220 385 L C 2.533 179.400 176.870 -0.006 0.000 1.133 385 L CA 1.023 55.845 54.840 -0.029 0.000 0.798 385 L CB -0.682 41.359 42.059 -0.030 0.000 0.922 385 L HN 0.373 nan 8.230 nan 0.000 0.445 386 A N 0.078 122.897 122.820 -0.001 0.000 2.121 386 A HA -0.059 4.262 4.320 0.002 0.000 0.218 386 A C 2.170 179.763 177.584 0.015 0.000 1.154 386 A CA 1.414 53.456 52.037 0.008 0.000 0.679 386 A CB -0.655 18.350 19.000 0.008 0.000 0.795 386 A HN 0.435 nan 8.150 nan 0.000 0.458 387 G N -1.610 107.202 108.800 0.020 0.000 3.042 387 G HA2 0.296 4.258 3.960 0.002 0.000 0.212 387 G HA3 0.296 4.258 3.960 0.002 0.000 0.212 387 G C 1.063 175.990 174.900 0.045 0.000 1.166 387 G CA 0.557 45.676 45.100 0.032 0.000 0.767 387 G HN 0.361 nan 8.290 nan 0.000 0.546 388 L N -0.821 120.426 121.223 0.041 0.000 2.276 388 L HA 0.544 4.886 4.340 0.002 0.000 0.194 388 L C 0.538 177.430 176.870 0.036 0.000 1.099 388 L CA 1.312 56.184 54.840 0.053 0.000 0.800 388 L CB 0.235 42.308 42.059 0.022 0.000 0.994 388 L HN -0.013 nan 8.230 nan 0.000 0.475 389 K N 0.000 120.412 120.400 0.020 0.000 2.780 389 K HA 0.000 4.321 4.320 0.002 0.000 0.191 389 K CA 0.000 56.297 56.287 0.017 0.000 0.838 389 K CB 0.000 32.507 32.500 0.012 0.000 1.064 389 K HN 0.000 nan 8.250 nan 0.000 0.543