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 1mty_1_B 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 1.739 122.242 120.500 0.005 0.000 2.446 7 R HA 0.165 4.506 4.340 0.002 0.000 0.325 7 R C -0.483 175.820 176.300 0.006 0.000 0.997 7 R CA 0.223 56.326 56.100 0.006 0.000 1.010 7 R CB 0.065 30.368 30.300 0.006 0.000 0.946 7 R HN 0.243 nan 8.270 nan 0.000 0.422 8 R N 4.131 124.634 120.500 0.006 0.000 2.312 8 R HA 0.295 4.636 4.340 0.002 0.000 0.311 8 R C -0.260 176.043 176.300 0.006 0.000 1.004 8 R CA -0.534 55.569 56.100 0.006 0.000 0.902 8 R CB 1.502 31.805 30.300 0.005 0.000 1.073 8 R HN 0.489 nan 8.270 nan 0.000 0.457 9 R N 1.108 121.612 120.500 0.007 0.000 2.407 9 R HA 0.192 4.533 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 -0.443 55.661 56.100 0.007 0.000 0.905 9 R CB 1.558 31.863 30.300 0.008 0.000 1.099 9 R HN 0.867 nan 8.270 nan 0.000 0.459 10 G N 2.050 110.854 108.800 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 1.130 122.357 121.223 0.008 0.000 2.270 11 L HA 0.150 4.491 4.340 0.002 0.000 0.210 11 L C 2.725 179.600 176.870 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 0.127 4.478 4.350 0.002 0.000 0.250 12 T C 0.596 175.300 174.700 0.006 0.000 1.021 12 T CA -0.062 62.043 62.100 0.007 0.000 1.003 12 T CB -0.415 68.457 68.868 0.007 0.000 1.040 12 T HN 0.218 nan 8.240 nan 0.000 0.492 13 D N 3.141 123.545 120.400 0.006 0.000 2.371 13 D HA 0.248 4.889 4.640 0.002 0.000 0.256 13 D C -1.494 174.809 176.300 0.005 0.000 1.193 13 D CA -1.871 52.132 54.000 0.005 0.000 0.881 13 D CB 1.400 42.203 40.800 0.005 0.000 1.143 13 D HN -0.025 nan 8.370 nan 0.000 0.473 14 P HA -0.216 nan 4.420 nan 0.000 0.215 14 P C 1.025 178.328 177.300 0.004 0.000 1.163 14 P CA 1.030 64.133 63.100 0.004 0.000 0.894 14 P CB 0.142 31.844 31.700 0.004 0.000 0.791 15 E N -0.837 119.365 120.200 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 1.380 57.782 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 0.219 119.821 119.600 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 1.514 56.816 55.300 0.005 0.000 1.122 16 M CB -0.131 32.472 32.600 0.005 0.000 1.365 16 M HN 0.164 nan 8.290 nan 0.000 0.411 17 A N 0.450 123.273 122.820 0.005 0.000 1.933 17 A HA -0.035 4.286 4.320 0.002 0.000 0.218 17 A C 2.385 179.971 177.584 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 -0.431 122.392 122.820 0.004 0.000 1.883 18 A HA -0.060 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 1.948 53.988 52.037 0.004 0.000 0.624 18 A CB -1.013 17.989 19.000 0.004 0.000 0.822 18 A HN 0.406 nan 8.150 nan 0.000 0.444 19 V N 0.114 120.030 119.914 0.004 0.000 2.295 19 V HA -0.285 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 2.117 64.419 62.300 0.004 0.000 1.024 19 V CB -0.708 31.117 31.823 0.004 0.000 0.648 19 V HN 0.577 nan 8.190 nan 0.000 0.447 20 I N -0.758 119.815 120.570 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 62.586 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 2.430 179.302 176.870 0.004 0.000 1.075 21 L CA 1.793 56.636 54.840 0.004 0.000 0.752 21 L CB -1.094 40.967 42.059 0.004 0.000 0.891 21 L HN 0.242 nan 8.230 nan 0.000 0.432 22 K N -0.747 119.655 120.400 0.003 0.000 2.148 22 K HA -0.113 4.208 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 1.212 57.501 56.287 0.003 0.000 0.942 22 K CB 0.035 32.537 32.500 0.003 0.000 0.724 22 K HN 0.290 nan 8.250 nan 0.000 0.446 23 A N 1.068 123.889 122.820 0.003 0.000 2.123 23 A HA 0.144 4.466 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 -0.023 52.016 52.037 0.003 0.000 0.728 23 A CB -0.166 18.836 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 4.493 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 -1.358 53.484 54.840 0.003 0.000 0.843 24 L CB 0.085 42.146 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 0.068 177.368 177.300 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 4.291 4.350 0.002 0.000 0.192 26 E C 0.597 177.197 176.600 -0.000 0.000 0.991 26 E CA 1.044 57.444 56.400 -0.000 0.000 0.799 26 E CB -0.624 29.075 29.700 -0.001 0.000 0.748 26 E HN 0.536 nan 8.360 nan 0.000 0.449 27 A N 0.898 123.717 122.820 -0.001 0.000 2.583 27 A HA 0.602 4.923 4.320 0.002 0.000 0.289 27 A C -2.750 174.833 177.584 -0.002 0.000 1.151 27 A CA -1.587 50.449 52.037 -0.002 0.000 0.695 27 A CB 0.865 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 0.404 177.700 177.300 -0.007 0.000 1.209 28 P CA -0.297 62.801 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 0.082 4.423 4.340 0.002 0.000 0.233 29 L C 0.561 177.422 176.870 -0.015 0.000 1.156 29 L CA 1.664 56.498 54.840 -0.009 0.000 0.866 29 L CB -1.460 40.595 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 0.827 177.106 176.300 -0.036 0.000 1.274 30 D CA 0.062 54.042 54.000 -0.033 0.000 0.869 30 D CB 1.928 42.704 40.800 -0.040 0.000 1.675 30 D HN -0.029 nan 8.370 nan 0.000 0.538 31 G N 2.257 111.031 108.800 -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 1.666 120.313 118.700 -0.089 0.000 2.739 32 N HA 0.009 4.750 4.740 0.002 0.000 0.266 32 N C 0.842 176.307 175.510 -0.075 0.000 1.168 32 N CA -0.350 52.621 53.050 -0.131 0.000 1.055 32 N CB -0.747 37.566 38.487 -0.290 0.000 1.393 32 N HN 0.533 nan 8.380 nan 0.000 0.514 33 N N 0.890 119.574 118.700 -0.028 0.000 2.362 33 N HA -0.035 4.706 4.740 0.002 0.000 0.211 33 N C -0.107 175.425 175.510 0.036 0.000 1.170 33 N CA -0.304 52.750 53.050 0.006 0.000 0.828 33 N CB 0.210 38.700 38.487 0.007 0.000 1.034 33 N HN 0.193 nan 8.380 nan 0.000 0.475 34 K N 1.575 122.011 120.400 0.060 0.000 2.404 34 K HA 0.133 4.454 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 0.763 33.326 32.500 0.105 0.000 1.203 34 K HN 0.081 nan 8.250 nan 0.000 0.446 35 M N 3.807 123.484 119.600 0.128 0.000 2.246 35 M HA 0.116 4.597 4.480 0.002 0.000 0.350 35 M C 0.607 176.927 176.300 0.032 0.000 1.406 35 M CA 1.863 57.236 55.300 0.121 0.000 1.089 35 M CB -0.172 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 5.517 114.298 108.800 -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 0.693 45.550 45.100 -0.404 0.000 0.650 36 G HN 1.015 nan 8.290 nan 0.000 0.529 37 Y N 0.178 120.427 120.300 -0.085 0.000 2.298 37 Y HA -0.001 4.550 4.550 0.002 0.000 0.287 37 Y C 2.068 177.958 175.900 -0.017 0.000 1.164 37 Y CA 1.669 59.757 58.100 -0.020 0.000 1.229 37 Y CB -0.902 37.600 38.460 0.070 0.000 0.977 37 Y HN 0.671 nan 8.280 nan 0.000 0.538 38 F N -0.545 118.991 119.950 -0.690 0.000 2.789 38 F HA 0.408 4.936 4.527 0.002 0.000 0.300 38 F C 0.174 175.885 175.800 -0.148 0.000 1.132 38 F CA -1.342 56.415 58.000 -0.405 0.000 1.404 38 F CB -1.099 37.545 39.000 -0.593 0.000 1.114 38 F HN -0.167 nan 8.300 nan 0.000 0.584 39 V N 1.657 121.162 119.914 -0.682 0.000 2.614 39 V HA 0.108 4.229 4.120 0.002 0.000 0.291 39 V C 0.525 176.513 176.094 -0.178 0.000 1.049 39 V CA -0.445 61.627 62.300 -0.380 0.000 1.038 39 V CB 0.996 32.532 31.823 -0.478 0.000 0.980 39 V HN 0.257 nan 8.190 nan 0.000 0.481 40 T N 7.783 122.278 114.554 -0.098 0.000 2.752 40 T HA 0.239 4.590 4.350 0.002 0.000 0.295 40 T C -2.216 172.415 174.700 -0.114 0.000 0.923 40 T CA -0.550 61.507 62.100 -0.071 0.000 1.112 40 T CB 0.635 69.478 68.868 -0.041 0.000 0.884 40 T HN 0.510 nan 8.240 nan 0.000 0.525 41 P HA 0.257 nan 4.420 nan 0.000 0.271 41 P C 0.658 177.845 177.300 -0.188 0.000 1.216 41 P CA -0.537 62.507 63.100 -0.093 0.000 0.776 41 P CB 0.805 32.499 31.700 -0.010 0.000 0.881 42 R N 2.987 123.264 120.500 -0.372 0.000 2.100 42 R HA 0.063 4.404 4.340 0.002 0.000 0.220 42 R C 0.377 176.255 176.300 -0.704 0.000 1.091 42 R CA 1.315 56.983 56.100 -0.720 0.000 0.986 42 R CB -0.145 29.309 30.300 -1.410 0.000 0.888 42 R HN 0.501 nan 8.270 nan 0.000 0.444 43 W N 1.387 122.702 121.300 0.024 0.000 2.639 43 W HA 0.218 4.879 4.660 0.002 0.000 0.465 43 W C 1.465 177.996 176.519 0.020 0.000 1.742 43 W CA -0.598 56.762 57.345 0.025 0.000 1.798 43 W CB -0.324 29.154 29.460 0.031 0.000 1.950 43 W HN -0.067 nan 8.180 nan 0.000 0.713 44 K N 1.540 122.112 120.400 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 -0.586 31.991 32.500 0.129 0.000 0.719 44 K HN 0.408 nan 8.250 nan 0.000 0.446 45 R N -0.263 120.326 120.500 0.147 0.000 2.854 45 R HA 0.412 4.753 4.340 0.002 0.000 0.271 45 R C -0.823 175.558 176.300 0.135 0.000 0.994 45 R CA -1.227 54.938 56.100 0.110 0.000 0.945 45 R CB 1.180 31.531 30.300 0.085 0.000 1.194 45 R HN 0.062 nan 8.270 nan 0.000 0.476 46 L N 1.711 122.986 121.223 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 0.975 55.858 54.840 0.073 0.000 0.878 46 L CB 0.610 42.673 42.059 0.007 0.000 1.127 46 L HN 0.827 nan 8.230 nan 0.000 0.492 47 T N 0.205 114.847 114.554 0.147 0.000 2.944 47 T HA 0.307 4.658 4.350 0.002 0.000 0.284 47 T C 0.784 175.524 174.700 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 70.162 68.868 0.273 0.000 1.079 47 T HN 0.753 nan 8.240 nan 0.000 0.516 48 E N -0.102 120.131 120.200 0.055 0.000 2.051 48 E HA -0.198 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 1.126 57.480 56.400 -0.077 0.000 0.799 48 E CB -0.370 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 1.799 177.635 175.900 -0.107 0.000 1.175 49 Y CA 2.464 60.512 58.100 -0.086 0.000 1.134 49 Y CB -0.387 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 0.115 120.162 120.200 -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 1.011 57.175 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 0.583 nan 8.360 nan 0.000 0.449 51 A N 1.300 123.965 122.820 -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 53.164 52.037 -0.246 0.000 0.624 51 A CB -0.712 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 -0.944 120.072 121.223 -0.345 0.000 2.478 52 L HA -0.042 4.300 4.340 0.002 0.000 0.223 52 L C 2.090 178.797 176.870 -0.271 0.000 1.140 52 L CA 1.241 55.875 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 -1.832 112.530 114.554 -0.320 0.000 3.114 53 T HA 0.118 4.469 4.350 0.002 0.000 0.240 53 T C 0.748 175.300 174.700 -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 0.312 62.361 62.300 -0.419 0.000 1.097 54 V CB -1.207 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 1.675 177.527 175.900 -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 0.013 122.874 122.820 0.069 0.000 1.969 56 A HA -0.145 4.176 4.320 0.002 0.000 0.218 56 A C 1.384 179.021 177.584 0.089 0.000 1.169 56 A CA 1.324 53.392 52.037 0.052 0.000 0.635 56 A CB -0.242 18.755 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 -2.133 173.997 176.000 0.218 0.000 1.028 57 Q CA -1.654 54.196 55.803 0.078 0.000 0.901 57 Q CB 0.754 29.419 28.738 -0.120 0.000 1.183 57 Q HN 0.250 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 -0.141 63.136 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 1.089 119.977 118.700 0.313 0.000 2.518 59 N HA 0.267 5.009 4.740 0.002 0.000 0.266 59 N C 0.553 176.003 175.510 -0.100 0.000 1.196 59 N CA 0.036 53.179 53.050 0.156 0.000 0.947 59 N CB 0.679 39.271 38.487 0.174 0.000 1.098 59 N HN 0.199 nan 8.380 nan 0.000 0.450 60 A N 0.695 123.255 122.820 -0.434 0.000 2.257 60 A HA 0.199 4.521 4.320 0.002 0.000 0.289 60 A C 0.909 178.349 177.584 -0.241 0.000 1.095 60 A CA -0.494 51.337 52.037 -0.344 0.000 0.836 60 A CB 0.221 18.992 19.000 -0.382 0.000 1.111 60 A HN 0.754 nan 8.150 nan 0.000 0.497 61 D N -0.027 120.371 120.400 -0.003 0.000 2.315 61 D HA -0.224 4.417 4.640 0.002 0.000 0.211 61 D C 1.283 177.677 176.300 0.157 0.000 0.977 61 D CA 1.628 55.686 54.000 0.096 0.000 0.894 61 D CB -0.425 40.462 40.800 0.147 0.000 0.910 61 D HN 0.801 nan 8.370 nan 0.000 0.490 62 W N 0.484 121.832 121.300 0.080 0.000 3.077 62 W HA 0.296 4.957 4.660 0.002 0.000 0.245 62 W C -0.155 176.451 176.519 0.144 0.000 1.316 62 W CA -0.642 56.758 57.345 0.093 0.000 1.537 62 W CB -0.559 28.934 29.460 0.055 0.000 1.131 62 W HN -0.118 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 0.685 176.923 176.117 0.202 0.000 1.007 63 I CA -1.102 60.215 61.300 0.029 0.000 1.142 63 I CB 1.389 39.284 38.000 -0.176 0.000 1.289 63 I HN -0.159 nan 8.210 nan 0.000 0.453 64 A N 4.917 127.931 122.820 0.323 0.000 2.573 64 A HA 0.253 4.574 4.320 0.002 0.000 0.266 64 A C 1.402 179.175 177.584 0.315 0.000 1.007 64 A CA 1.234 53.434 52.037 0.271 0.000 0.878 64 A CB -0.760 18.319 19.000 0.130 0.000 0.886 64 A HN 1.352 nan 8.150 nan 0.000 0.507 65 G N 1.804 110.777 108.800 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 0.995 176.172 174.900 0.462 0.000 0.987 65 G CA 0.334 45.676 45.100 0.403 0.000 0.635 65 G HN 2.148 nan 8.290 nan 0.000 0.520 66 G N -0.393 108.627 108.800 0.368 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 0.259 0.000 0.854 66 G HN 0.365 nan 8.290 nan 0.000 0.560 67 L N 1.189 122.366 121.223 -0.075 0.000 2.529 67 L HA 0.219 4.560 4.340 0.002 0.000 0.223 67 L C 1.348 178.169 176.870 -0.083 0.000 1.113 67 L CA 0.271 55.012 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 -0.862 119.494 120.400 -0.073 0.000 2.447 68 D HA 0.156 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 -0.250 53.693 54.000 -0.093 0.000 1.046 68 D CB 1.032 41.716 40.800 -0.194 0.000 1.095 68 D HN 0.043 nan 8.370 nan 0.000 0.555 69 W N -1.208 120.067 121.300 -0.042 0.000 3.083 69 W HA 0.512 5.173 4.660 0.002 0.000 0.333 69 W C -0.167 176.365 176.519 0.022 0.000 1.217 69 W CA -0.798 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 1.475 110.521 108.800 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 -0.940 174.034 174.900 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 -0.796 119.621 120.400 0.028 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 -0.332 53.665 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 -0.554 120.888 121.300 0.235 0.000 2.093 72 W HA 0.080 4.742 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 30.002 29.460 0.122 0.000 1.149 72 W HN 0.380 nan 8.180 nan 0.000 0.606 73 T N -1.952 112.768 114.554 0.276 0.000 3.014 73 T HA -0.072 4.279 4.350 0.002 0.000 0.263 73 T C 0.394 175.141 174.700 0.079 0.000 1.078 73 T CA 0.595 62.766 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 55.020 55.803 -0.010 0.000 0.802 74 Q CB 1.785 30.476 28.738 -0.078 0.000 1.282 74 Q HN 0.258 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 55.562 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 4.614 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 1.053 120.233 119.070 0.183 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 0.246 30.053 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 0.156 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 -0.155 3.806 3.960 0.002 0.000 0.206 79 G HA3 -0.155 3.806 3.960 0.002 0.000 0.206 79 G C 0.269 175.250 174.900 0.135 0.000 0.995 79 G CA 1.019 46.181 45.100 0.104 0.000 0.651 79 G HN 0.907 nan 8.290 nan 0.000 0.511 80 R N 1.886 122.461 120.500 0.125 0.000 2.537 80 R HA 0.220 4.561 4.340 0.002 0.000 0.281 80 R C -1.852 174.586 176.300 0.230 0.000 0.988 80 R CA -0.378 55.763 56.100 0.068 0.000 1.077 80 R CB 0.373 30.532 30.300 -0.236 0.000 0.932 80 R HN 0.226 nan 8.270 nan 0.000 0.409 81 P HA 0.040 nan 4.420 nan 0.000 0.274 81 P C -0.032 177.383 177.300 0.192 0.000 1.237 81 P CA -0.202 63.157 63.100 0.431 0.000 0.793 81 P CB 0.910 33.054 31.700 0.739 0.000 0.977 82 S N 0.113 115.663 115.700 -0.250 0.000 2.359 82 S HA -0.087 4.384 4.470 0.002 0.000 0.223 82 S C 0.454 174.633 174.600 -0.703 0.000 1.039 82 S CA 1.144 58.895 58.200 -0.748 0.000 1.042 82 S CB -0.323 61.895 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 0.155 176.801 176.519 0.211 0.000 1.121 83 W CA -0.891 56.395 57.345 -0.099 0.000 1.209 83 W CB 1.463 30.820 29.460 -0.171 0.000 1.420 83 W HN 0.227 nan 8.180 nan 0.000 0.516 84 G N 1.134 110.158 108.800 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 0.130 175.198 174.900 0.280 0.000 1.437 84 G CA -0.627 44.709 45.100 0.395 0.000 0.798 84 G HN 0.343 nan 8.290 nan 0.000 0.488 85 N N 0.257 119.152 118.700 0.325 0.000 2.289 85 N HA -0.117 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 1.452 54.670 53.050 0.280 0.000 0.872 85 N CB 0.077 38.743 38.487 0.297 0.000 0.973 85 N HN 0.881 nan 8.380 nan 0.000 0.433 86 E N 0.950 121.291 120.200 0.235 0.000 2.463 86 E HA -0.106 4.245 4.350 0.002 0.000 0.201 86 E C 0.944 177.652 176.600 0.180 0.000 1.045 86 E CA 1.144 57.655 56.400 0.185 0.000 0.872 86 E CB -0.407 29.388 29.700 0.157 0.000 0.797 86 E HN 0.305 nan 8.360 nan 0.000 0.538 87 T N -2.407 112.280 114.554 0.222 0.000 3.129 87 T HA 0.077 4.428 4.350 0.002 0.000 0.251 87 T C 0.448 175.314 174.700 0.277 0.000 1.117 87 T CA 0.321 62.578 62.100 0.261 0.000 1.034 87 T CB 0.589 69.643 68.868 0.311 0.000 0.968 87 T HN 0.088 nan 8.240 nan 0.000 0.526 88 T N -0.118 114.554 114.554 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 70.591 68.868 -0.232 0.000 1.261 88 T HN -0.083 nan 8.240 nan 0.000 0.485 89 E N 2.042 122.392 120.200 0.251 0.000 2.208 89 E HA 0.095 4.446 4.350 0.002 0.000 0.193 89 E C 0.757 177.526 176.600 0.281 0.000 0.988 89 E CA 0.457 57.023 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 2.117 123.479 121.223 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 0.225 55.182 54.840 0.195 0.000 0.846 90 L CB 0.255 42.404 42.059 0.151 0.000 1.111 90 L HN -0.170 nan 8.230 nan 0.000 0.475 91 R N 1.030 121.512 120.500 -0.031 0.000 2.807 91 R HA 0.694 5.035 4.340 0.002 0.000 0.276 91 R C -0.607 175.257 176.300 -0.725 0.000 0.979 91 R CA -0.590 55.207 56.100 -0.505 0.000 0.928 91 R CB 2.234 31.843 30.300 -1.152 0.000 1.191 91 R HN 0.649 nan 8.270 nan 0.000 0.471 92 T N -0.984 113.103 114.554 -0.779 0.000 2.821 92 T HA 0.193 4.545 4.350 0.002 0.000 0.306 92 T C 0.259 174.868 174.700 -0.153 0.000 1.313 92 T CA -0.476 61.341 62.100 -0.472 0.000 1.012 92 T CB 1.742 70.057 68.868 -0.921 0.000 1.298 92 T HN 0.126 nan 8.240 nan 0.000 0.502 93 V N 1.240 121.177 119.914 0.038 0.000 2.719 93 V HA 0.247 4.369 4.120 0.002 0.000 0.252 93 V C 0.130 176.237 176.094 0.021 0.000 1.065 93 V CA 1.682 64.040 62.300 0.097 0.000 1.086 93 V CB 0.001 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 -2.923 117.424 120.400 -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 -0.521 53.487 54.000 0.013 0.000 0.913 94 D CB 0.179 41.049 40.800 0.117 0.000 1.559 94 D HN 0.098 nan 8.370 nan 0.000 0.565 95 W N 2.360 123.647 121.300 -0.022 0.000 2.611 95 W HA 0.063 4.724 4.660 0.002 0.000 0.251 95 W C 1.464 177.784 176.519 -0.332 0.000 1.265 95 W CA -0.027 57.201 57.345 -0.194 0.000 1.295 95 W CB -0.010 29.258 29.460 -0.320 0.000 1.129 95 W HN 0.380 nan 8.180 nan 0.000 0.630 96 F N 0.046 120.067 119.950 0.117 0.000 2.765 96 F HA 0.098 4.626 4.527 0.002 0.000 0.302 96 F C 1.838 177.591 175.800 -0.079 0.000 1.111 96 F CA 0.518 58.492 58.000 -0.045 0.000 1.359 96 F CB -0.392 38.477 39.000 -0.218 0.000 1.097 96 F HN -0.209 nan 8.300 nan 0.000 0.577 97 K N -0.545 119.909 120.400 0.090 0.000 2.148 97 K HA -0.146 4.175 4.320 0.002 0.000 0.204 97 K C 1.047 177.666 176.600 0.032 0.000 1.050 97 K CA 0.486 56.790 56.287 0.028 0.000 0.942 97 K CB -0.334 32.167 32.500 0.003 0.000 0.724 97 K HN 0.295 nan 8.250 nan 0.000 0.446 98 H N 1.595 120.656 119.070 -0.015 0.000 3.038 98 H HA -0.023 4.534 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 0.606 56.662 56.048 0.014 0.000 1.394 98 H CB 0.511 30.289 29.762 0.026 0.000 1.357 98 H HN -0.050 nan 8.280 nan 0.000 0.600 99 R N 3.438 123.638 120.500 -0.500 0.000 2.564 99 R HA 0.069 4.410 4.340 0.002 0.000 0.284 99 R C -1.171 174.954 176.300 -0.291 0.000 1.031 99 R CA -0.899 55.072 56.100 -0.214 0.000 0.904 99 R CB 1.477 31.758 30.300 -0.032 0.000 1.199 99 R HN 0.732 nan 8.270 nan 0.000 0.443 100 D N 3.730 124.063 120.400 -0.111 0.000 2.339 100 D HA 0.145 4.786 4.640 0.002 0.000 0.256 100 D C -1.547 174.779 176.300 0.043 0.000 1.214 100 D CA -1.971 52.019 54.000 -0.016 0.000 0.877 100 D CB 1.420 42.195 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 1.091 178.366 177.300 -0.042 0.000 1.146 101 P CA 0.535 63.731 63.100 0.159 0.000 0.808 101 P CB 0.277 32.075 31.700 0.163 0.000 0.779 102 L N -1.527 119.665 121.223 -0.051 0.000 2.599 102 L HA 0.129 4.471 4.340 0.002 0.000 0.230 102 L C 0.612 177.360 176.870 -0.203 0.000 1.141 102 L CA 0.675 55.457 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 1.084 121.346 120.500 -0.397 0.000 3.333 103 R HA -0.189 4.152 4.340 0.002 0.000 0.256 103 R C 0.225 176.220 176.300 -0.508 0.000 1.010 103 R CA 0.376 55.980 56.100 -0.827 0.000 0.680 103 R CB -1.688 28.365 30.300 -0.411 0.000 1.102 103 R HN 0.497 nan 8.270 nan 0.000 0.440 104 R N 1.155 121.487 120.500 -0.280 0.000 2.229 104 R HA 0.275 4.616 4.340 0.002 0.000 0.328 104 R C 0.202 176.829 176.300 0.545 0.000 1.009 104 R CA -0.739 55.449 56.100 0.146 0.000 0.864 104 R CB 1.015 31.406 30.300 0.151 0.000 1.085 104 R HN 0.292 nan 8.270 nan 0.000 0.453 105 W N 2.993 124.527 121.300 0.390 0.000 2.615 105 W HA 0.247 4.908 4.660 0.002 0.000 0.423 105 W C 1.025 177.820 176.519 0.460 0.000 1.666 105 W CA -1.005 56.594 57.345 0.423 0.000 1.717 105 W CB -0.673 28.981 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 -0.146 4.411 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 2.955 59.162 56.048 0.266 0.000 1.302 106 H CB -0.345 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 1.906 124.482 122.820 -0.406 0.000 1.851 107 A HA -0.131 4.190 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 1.993 53.671 52.037 -0.598 0.000 0.622 107 A CB -1.559 16.822 19.000 -1.032 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 1.477 178.606 177.300 -0.286 0.000 1.149 108 P CA 1.441 64.311 63.100 -0.383 0.000 0.817 108 P CB -0.246 31.256 31.700 -0.329 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 1.931 59.687 58.100 -0.573 0.000 1.135 109 Y CB -1.106 36.699 38.460 -1.093 0.000 0.980 109 Y HN -0.181 nan 8.280 nan 0.000 0.499 110 V N -0.792 118.804 119.914 -0.530 0.000 2.667 110 V HA -0.155 3.967 4.120 0.002 0.000 0.252 110 V C 2.262 178.177 176.094 -0.300 0.000 1.065 110 V CA 2.006 64.027 62.300 -0.465 0.000 1.083 110 V CB -0.922 30.693 31.823 -0.347 0.000 0.692 110 V HN 0.389 nan 8.190 nan 0.000 0.468 111 K N 0.648 120.895 120.400 -0.255 0.000 2.002 111 K HA -0.245 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 2.325 58.511 56.287 -0.168 0.000 0.930 111 K CB -0.364 32.041 32.500 -0.160 0.000 0.714 111 K HN 0.509 nan 8.250 nan 0.000 0.438 112 D N 0.533 120.808 120.400 -0.208 0.000 2.117 112 D HA -0.163 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 1.177 55.077 54.000 -0.167 0.000 0.829 112 D CB -0.082 40.609 40.800 -0.183 0.000 0.961 112 D HN 0.268 nan 8.370 nan 0.000 0.460 113 K N 0.384 120.607 120.400 -0.295 0.000 2.148 113 K HA -0.040 4.281 4.320 0.002 0.000 0.204 113 K C 1.949 178.521 176.600 -0.047 0.000 1.050 113 K CA 1.037 57.185 56.287 -0.232 0.000 0.942 113 K CB 0.016 32.245 32.500 -0.452 0.000 0.724 113 K HN 0.044 nan 8.250 nan 0.000 0.446 114 A N 1.305 124.099 122.820 -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 1.554 53.643 52.037 0.087 0.000 0.620 114 A CB -0.407 18.618 19.000 0.043 0.000 0.819 114 A HN 0.430 nan 8.150 nan 0.000 0.442 115 E N -0.167 120.072 120.200 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 1.535 57.983 56.400 0.080 0.000 0.801 115 E CB -0.217 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 0.330 0.000 0.988 116 E CA 0.825 57.359 56.400 0.223 0.000 0.804 116 E CB -0.208 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 1.663 123.006 121.300 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 58.104 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 -0.650 119.901 120.500 0.086 0.000 2.092 118 R HA -0.208 4.133 4.340 0.002 0.000 0.231 118 R C 2.138 178.447 176.300 0.014 0.000 1.119 118 R CA 1.543 57.586 56.100 -0.094 0.000 0.970 118 R CB -1.288 29.003 30.300 -0.015 0.000 0.864 118 R HN 0.267 nan 8.270 nan 0.000 0.440 119 Y N 2.220 122.533 120.300 0.022 0.000 2.242 119 Y HA -0.145 4.407 4.550 0.002 0.000 0.291 119 Y C 2.127 178.102 175.900 0.124 0.000 1.137 119 Y CA 1.283 59.424 58.100 0.068 0.000 1.181 119 Y CB -0.509 38.008 38.460 0.095 0.000 0.989 119 Y HN -0.098 nan 8.280 nan 0.000 0.527 120 T N 0.054 114.605 114.554 -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 1.881 63.969 62.100 -0.019 0.000 1.144 120 T CB -0.495 68.559 68.868 0.311 0.000 0.864 120 T HN 0.465 nan 8.240 nan 0.000 0.444 121 D N 0.507 120.740 120.400 -0.278 0.000 2.097 121 D HA -0.084 4.557 4.640 0.002 0.000 0.195 121 D C 2.407 178.556 176.300 -0.252 0.000 0.989 121 D CA 1.044 54.834 54.000 -0.350 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 -0.808 119.585 120.500 -0.178 0.000 2.081 122 R HA -0.098 4.243 4.340 0.002 0.000 0.235 122 R C 2.332 178.530 176.300 -0.170 0.000 1.131 122 R CA 1.120 57.157 56.100 -0.105 0.000 0.960 122 R CB -0.606 29.718 30.300 0.040 0.000 0.856 122 R HN 0.312 nan 8.270 nan 0.000 0.436 123 F N 1.867 121.525 119.950 -0.487 0.000 2.095 123 F HA -0.172 4.356 4.527 0.002 0.000 0.298 123 F C 1.875 177.368 175.800 -0.511 0.000 1.104 123 F CA 1.441 59.057 58.000 -0.641 0.000 1.232 123 F CB -0.334 37.867 39.000 -1.331 0.000 0.987 123 F HN -0.116 nan 8.300 nan 0.000 0.475 124 L N 0.129 120.878 121.223 -0.790 0.000 2.083 124 L HA -0.225 4.116 4.340 0.002 0.000 0.209 124 L C 2.639 179.296 176.870 -0.355 0.000 1.083 124 L CA 1.229 55.553 54.840 -0.861 0.000 0.752 124 L CB -0.860 40.739 42.059 -0.767 0.000 0.899 124 L HN 0.281 nan 8.230 nan 0.000 0.433 125 Q N -0.279 119.378 119.800 -0.238 0.000 2.119 125 Q HA -0.125 4.216 4.340 0.002 0.000 0.201 125 Q C 2.282 178.224 176.000 -0.097 0.000 0.972 125 Q CA 1.667 57.409 55.803 -0.100 0.000 0.847 125 Q CB -0.391 28.291 28.738 -0.093 0.000 0.903 125 Q HN 0.595 nan 8.270 nan 0.000 0.433 126 G N -0.061 108.640 108.800 -0.166 0.000 2.394 126 G HA2 -0.282 3.679 3.960 0.002 0.000 0.215 126 G HA3 -0.282 3.679 3.960 0.002 0.000 0.215 126 G C 1.322 176.140 174.900 -0.137 0.000 1.165 126 G CA 0.541 45.563 45.100 -0.130 0.000 0.784 126 G HN 0.337 nan 8.290 nan 0.000 0.535 127 Y N 2.749 122.788 120.300 -0.435 0.000 2.145 127 Y HA -0.226 4.325 4.550 0.002 0.000 0.286 127 Y C 3.216 179.054 175.900 -0.103 0.000 1.145 127 Y CA 2.117 60.004 58.100 -0.355 0.000 1.148 127 Y CB -0.216 37.829 38.460 -0.691 0.000 0.981 127 Y HN 0.325 nan 8.280 nan 0.000 0.507 128 S N 0.128 115.976 115.700 0.247 0.000 2.368 128 S HA -0.195 4.276 4.470 0.002 0.000 0.225 128 S C 2.226 176.816 174.600 -0.017 0.000 1.030 128 S CA 0.966 59.250 58.200 0.139 0.000 0.999 128 S CB -1.155 62.140 63.200 0.158 0.000 0.844 128 S HN 0.493 nan 8.310 nan 0.000 0.459 129 A N 1.620 124.423 122.820 -0.029 0.000 1.969 129 A HA -0.045 4.276 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 1.620 53.627 52.037 -0.050 0.000 0.635 129 A CB -0.823 18.151 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 1.091 55.008 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 1.023 109.710 108.800 -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 0.643 45.635 45.100 -0.180 0.000 0.769 131 G HN 0.429 nan 8.290 nan 0.000 0.507 132 Q N -0.768 118.732 119.800 -0.500 0.000 2.291 132 Q HA -0.066 4.276 4.340 0.002 0.000 0.206 132 Q C 2.779 178.554 176.000 -0.375 0.000 0.976 132 Q CA 1.519 56.966 55.803 -0.594 0.000 0.875 132 Q CB -0.212 27.900 28.738 -1.043 0.000 0.927 132 Q HN 0.963 nan 8.270 nan 0.000 0.450 133 I N -1.584 118.836 120.570 -0.251 0.000 2.454 133 I HA -0.240 3.931 4.170 0.002 0.000 0.254 133 I C 1.929 178.069 176.117 0.038 0.000 1.156 133 I CA 0.962 62.299 61.300 0.062 0.000 1.433 133 I CB -0.429 37.628 38.000 0.095 0.000 1.082 133 I HN 0.000 nan 8.210 nan 0.000 0.432 134 R N 1.622 122.108 120.500 -0.024 0.000 2.153 134 R HA -0.170 4.171 4.340 0.002 0.000 0.252 134 R C 2.057 178.372 176.300 0.024 0.000 1.158 134 R CA 1.774 57.872 56.100 -0.003 0.000 0.975 134 R CB -0.474 29.809 30.300 -0.029 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 0.165 nan 8.150 nan 0.000 0.502 136 M N 1.466 121.143 119.600 0.128 0.000 2.185 136 M HA 0.124 4.606 4.480 0.002 0.000 0.357 136 M C -0.056 176.378 176.300 0.223 0.000 1.260 136 M CA -0.324 55.097 55.300 0.201 0.000 1.124 136 M CB 0.348 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 6.072 124.939 118.700 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 -0.857 52.380 53.050 0.312 0.000 0.909 137 N CB 1.087 39.851 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 -1.528 113.175 114.554 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 0.311 0.000 1.038 139 T CA 0.891 63.141 62.100 0.251 0.000 1.144 139 T CB -0.900 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 2.927 124.283 121.300 0.093 0.000 2.358 140 W HA -0.120 4.541 4.660 0.002 0.000 0.303 140 W C 2.349 179.012 176.519 0.239 0.000 1.208 140 W CA 1.194 58.544 57.345 0.009 0.000 1.274 140 W CB -0.419 28.823 29.460 -0.364 0.000 1.138 140 W HN 0.162 nan 8.180 nan 0.000 0.515 141 R N 0.590 121.274 120.500 0.308 0.000 2.082 141 R HA -0.192 4.149 4.340 0.002 0.000 0.234 141 R C 1.772 178.227 176.300 0.258 0.000 1.136 141 R CA 2.406 58.671 56.100 0.276 0.000 0.935 141 R CB -0.750 29.744 30.300 0.325 0.000 0.842 141 R HN -0.008 nan 8.270 nan 0.000 0.430 142 D N -0.544 119.988 120.400 0.220 0.000 2.224 142 D HA -0.124 4.517 4.640 0.002 0.000 0.205 142 D C 1.556 177.846 176.300 -0.018 0.000 0.965 142 D CA 1.063 55.128 54.000 0.108 0.000 0.852 142 D CB 0.120 40.965 40.800 0.076 0.000 0.947 142 D HN 0.507 nan 8.370 nan 0.000 0.494 143 E N -0.927 119.271 120.200 -0.004 0.000 2.121 143 E HA -0.015 4.336 4.350 0.002 0.000 0.194 143 E C 1.660 178.102 176.600 -0.264 0.000 0.940 143 E CA -0.040 56.268 56.400 -0.153 0.000 0.884 143 E CB -0.013 29.614 29.700 -0.122 0.000 0.874 143 E HN -0.002 nan 8.360 nan 0.000 0.471 144 F N 1.315 121.183 119.950 -0.136 0.000 2.113 144 F HA -0.030 4.498 4.527 0.002 0.000 0.297 144 F C 2.272 177.982 175.800 -0.150 0.000 1.103 144 F CA 1.003 58.869 58.000 -0.223 0.000 1.248 144 F CB -0.197 38.212 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 2.526 178.762 176.117 0.197 0.000 1.076 145 I CA 1.373 62.720 61.300 0.078 0.000 1.353 145 I CB -0.608 37.474 38.000 0.137 0.000 1.063 145 I HN 0.230 nan 8.210 nan 0.000 0.408 146 N N 1.183 119.980 118.700 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 1.860 54.969 53.050 0.100 0.000 0.851 146 N CB 0.051 38.468 38.487 -0.117 0.000 1.027 146 N HN 0.284 nan 8.380 nan 0.000 0.422 147 R N -1.198 119.216 120.500 -0.144 0.000 2.074 147 R HA -0.038 4.303 4.340 0.002 0.000 0.218 147 R C 1.979 178.154 176.300 -0.209 0.000 1.137 147 R CA 0.653 56.583 56.100 -0.284 0.000 0.998 147 R CB -0.265 29.700 30.300 -0.559 0.000 0.895 147 R HN 0.202 nan 8.270 nan 0.000 0.442 148 Y N -0.571 119.807 120.300 0.130 0.000 2.206 148 Y HA -0.149 4.402 4.550 0.002 0.000 0.292 148 Y C 2.168 178.375 175.900 0.510 0.000 1.123 148 Y CA 1.223 59.557 58.100 0.392 0.000 1.142 148 Y CB -0.685 37.976 38.460 0.336 0.000 1.006 148 Y HN 0.260 nan 8.280 nan 0.000 0.518 149 W N 0.816 122.195 121.300 0.132 0.000 2.418 149 W HA -0.071 4.590 4.660 0.002 0.000 0.292 149 W C 2.089 178.569 176.519 -0.065 0.000 1.213 149 W CA 1.190 58.325 57.345 -0.350 0.000 1.283 149 W CB -0.450 28.668 29.460 -0.571 0.000 1.119 149 W HN 0.174 nan 8.180 nan 0.000 0.542 150 G N 1.015 109.822 108.800 0.012 0.000 2.440 150 G HA2 -0.311 3.651 3.960 0.002 0.000 0.218 150 G HA3 -0.311 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 1.619 46.659 45.100 -0.100 0.000 0.767 150 G HN 0.362 nan 8.290 nan 0.000 0.552 151 A N 0.059 122.910 122.820 0.052 0.000 2.019 151 A HA 0.098 4.419 4.320 0.002 0.000 0.219 151 A C 2.106 179.567 177.584 -0.205 0.000 1.164 151 A CA 1.341 53.428 52.037 0.082 0.000 0.644 151 A CB -0.484 18.646 19.000 0.217 0.000 0.805 151 A HN 0.378 nan 8.150 nan 0.000 0.449 152 F N 0.725 120.404 119.950 -0.451 0.000 2.365 152 F HA -0.107 4.421 4.527 0.002 0.000 0.300 152 F C 1.854 177.258 175.800 -0.660 0.000 1.090 152 F CA 1.106 58.769 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 1.997 178.311 176.870 -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 40.742 42.059 -0.791 0.000 0.896 153 L HN 0.075 nan 8.230 nan 0.000 0.433 154 F N 0.697 120.089 119.950 -0.930 0.000 2.234 154 F HA -0.167 4.361 4.527 0.002 0.000 0.299 154 F C 2.632 177.690 175.800 -1.235 0.000 1.087 154 F CA 1.539 58.854 58.000 -1.141 0.000 1.340 154 F CB -0.818 37.115 39.000 -1.778 0.000 1.031 154 F HN 0.311 nan 8.300 nan 0.000 0.500 155 N N 0.717 118.602 118.700 -1.358 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 1.464 54.027 53.050 -0.811 0.000 0.848 155 N CB -0.002 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 -0.040 119.760 120.200 -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 0.587 56.758 56.400 -0.381 0.000 0.806 156 E CB -0.589 28.878 29.700 -0.388 0.000 0.750 156 E HN 0.531 nan 8.360 nan 0.000 0.458 157 Y N 1.544 121.613 120.300 -0.385 0.000 2.200 157 Y HA -0.104 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 1.819 59.771 58.100 -0.246 0.000 1.163 157 Y CB -0.575 37.666 38.460 -0.366 0.000 0.988 157 Y HN 0.020 nan 8.280 nan 0.000 0.518 158 G N 0.116 108.797 108.800 -0.198 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 0.122 121.235 121.223 -0.183 0.000 2.083 159 L HA 0.051 4.393 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 55.906 54.840 -0.111 0.000 0.752 159 L CB -1.159 40.903 42.059 0.005 0.000 0.899 159 L HN 0.364 nan 8.230 nan 0.000 0.433 160 F N 0.605 120.397 119.950 -0.264 0.000 2.102 160 F HA -0.228 4.300 4.527 0.002 0.000 0.298 160 F C 2.187 177.767 175.800 -0.368 0.000 1.105 160 F CA 1.989 59.829 58.000 -0.267 0.000 1.239 160 F CB -0.836 37.924 39.000 -0.400 0.000 0.991 160 F HN 0.174 nan 8.300 nan 0.000 0.474 161 N N 0.308 118.163 118.700 -1.407 0.000 2.289 161 N HA -0.121 4.620 4.740 0.002 0.000 0.184 161 N C 1.943 176.650 175.510 -1.339 0.000 1.016 161 N CA 0.962 52.919 53.050 -1.822 0.000 0.872 161 N CB -0.350 36.566 38.487 -2.617 0.000 0.973 161 N HN 0.459 nan 8.380 nan 0.000 0.433 162 A N 0.151 122.429 122.820 -0.903 0.000 2.076 162 A HA -0.172 4.150 4.320 0.002 0.000 0.220 162 A C 1.275 178.635 177.584 -0.373 0.000 1.160 162 A CA 1.377 53.135 52.037 -0.466 0.000 0.653 162 A CB -0.633 18.151 19.000 -0.360 0.000 0.801 162 A HN 0.394 nan 8.150 nan 0.000 0.455 163 H N -0.093 118.760 119.070 -0.362 0.000 2.551 163 H HA 0.012 4.569 4.556 0.002 0.000 0.266 163 H C 2.446 177.651 175.328 -0.205 0.000 0.977 163 H CA 0.928 56.864 56.048 -0.188 0.000 1.163 163 H CB 0.064 29.764 29.762 -0.103 0.000 1.381 163 H HN 0.685 nan 8.280 nan 0.000 0.581 164 S N 0.144 115.718 115.700 -0.210 0.000 2.359 164 S HA -0.323 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 1.533 59.638 58.200 -0.158 0.000 1.018 164 S CB -0.247 62.844 63.200 -0.182 0.000 0.876 164 S HN 0.572 nan 8.310 nan 0.000 0.448 165 Q N 1.524 121.287 119.800 -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 57.273 55.803 -0.030 0.000 0.850 165 Q CB -0.853 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 0.198 108.997 108.800 -0.001 0.000 2.432 166 G HA2 -0.226 3.736 3.960 0.002 0.000 0.219 166 G HA3 -0.226 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 45.843 45.100 -0.021 0.000 0.767 166 G HN 0.481 nan 8.290 nan 0.000 0.550 167 A N 0.669 123.431 122.820 -0.097 0.000 1.972 167 A HA -0.021 4.300 4.320 0.002 0.000 0.219 167 A C 2.323 179.841 177.584 -0.111 0.000 1.169 167 A CA 2.157 54.124 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 -0.126 120.325 120.500 -0.083 0.000 2.100 168 R HA 0.033 4.374 4.340 0.002 0.000 0.220 168 R C 1.368 177.671 176.300 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 30.081 30.300 -0.021 0.000 0.888 168 R HN 0.420 nan 8.270 nan 0.000 0.444 169 E N 0.602 120.699 120.200 -0.172 0.000 2.452 169 E HA 0.226 4.577 4.350 0.002 0.000 0.197 169 E C 0.085 176.064 176.600 -1.035 0.000 1.022 169 E CA 0.498 56.697 56.400 -0.335 0.000 0.890 169 E CB 0.123 29.680 29.700 -0.238 0.000 0.918 169 E HN 0.336 nan 8.360 nan 0.000 0.496 170 A N 1.585 123.659 122.820 -1.244 0.000 2.587 170 A HA -0.043 4.279 4.320 0.002 0.000 0.235 170 A C 0.795 177.517 177.584 -1.437 0.000 1.044 170 A CA 0.081 51.044 52.037 -1.791 0.000 0.754 170 A CB 0.142 18.520 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 1.003 177.310 176.870 -0.937 0.000 1.151 171 L CA 1.314 55.498 54.840 -1.093 0.000 0.924 171 L CB -1.547 39.763 42.059 -1.247 0.000 1.137 171 L HN 0.931 nan 8.230 nan 0.000 0.457 172 S N -3.661 111.535 115.700 -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 -0.372 57.364 58.200 -0.775 0.000 0.835 172 S CB 1.036 63.734 63.200 -0.836 0.000 1.115 172 S HN 0.082 nan 8.310 nan 0.000 0.459 173 D N 1.688 121.907 120.400 -0.302 0.000 2.097 173 D HA -0.139 4.502 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 -0.089 0.000 0.973 173 D HN 0.635 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 -0.966 113.568 114.554 -0.034 0.000 2.896 175 T HA -0.164 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 1.340 63.363 62.100 -0.129 0.000 1.140 175 T CB -0.471 68.349 68.868 -0.080 0.000 0.877 175 T HN 0.568 nan 8.240 nan 0.000 0.457 176 R N 0.846 121.126 120.500 -0.366 0.000 2.081 176 R HA -0.040 4.301 4.340 0.002 0.000 0.235 176 R C 2.263 178.294 176.300 -0.448 0.000 1.131 176 R CA 1.458 57.313 56.100 -0.407 0.000 0.960 176 R CB -0.712 29.352 30.300 -0.394 0.000 0.856 176 R HN 0.326 nan 8.270 nan 0.000 0.436 177 V N 0.407 120.051 119.914 -0.451 0.000 2.343 177 V HA -0.211 3.910 4.120 0.002 0.000 0.247 177 V C 2.302 177.837 176.094 -0.933 0.000 1.051 177 V CA 2.081 63.962 62.300 -0.697 0.000 1.036 177 V CB -0.314 31.207 31.823 -0.503 0.000 0.654 177 V HN 0.389 nan 8.190 nan 0.000 0.451 178 S N -0.143 115.179 115.700 -0.630 0.000 2.356 178 S HA -0.125 4.346 4.470 0.002 0.000 0.223 178 S C 1.956 175.719 174.600 -1.395 0.000 1.032 178 S CA 1.264 58.995 58.200 -0.781 0.000 1.005 178 S CB -0.402 62.497 63.200 -0.501 0.000 0.867 178 S HN 0.397 nan 8.310 nan 0.000 0.449 179 L N 1.763 122.291 121.223 -1.160 0.000 2.042 179 L HA -0.133 4.208 4.340 0.002 0.000 0.210 179 L C 2.469 179.154 176.870 -0.308 0.000 1.076 179 L CA 2.294 56.698 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 -0.679 121.921 122.820 -0.366 0.000 1.898 180 A HA -0.215 4.106 4.320 0.002 0.000 0.216 180 A C 1.962 179.539 177.584 -0.012 0.000 1.181 180 A CA 1.358 53.283 52.037 -0.185 0.000 0.620 180 A CB -0.712 18.125 19.000 -0.270 0.000 0.819 180 A HN 0.418 nan 8.150 nan 0.000 0.442 181 F N -1.169 118.574 119.950 -0.345 0.000 2.186 181 F HA -0.120 4.408 4.527 0.002 0.000 0.299 181 F C 2.086 177.899 175.800 0.021 0.000 1.090 181 F CA -0.324 57.453 58.000 -0.372 0.000 1.307 181 F CB -1.233 37.375 39.000 -0.654 0.000 1.019 181 F HN 0.379 nan 8.300 nan 0.000 0.489 182 W N 0.531 121.873 121.300 0.070 0.000 2.355 182 W HA -0.013 4.648 4.660 0.002 0.000 0.309 182 W C 2.683 179.118 176.519 -0.141 0.000 1.206 182 W CA 1.159 58.504 57.345 -0.000 0.000 1.284 182 W CB -1.802 27.674 29.460 0.027 0.000 1.145 182 W HN 0.056 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 0.557 45.431 45.100 -0.376 0.000 0.776 183 G HN 0.134 nan 8.290 nan 0.000 0.542 184 F N 1.755 121.746 119.950 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 0.133 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 0.554 120.995 120.400 0.069 0.000 2.026 186 K HA -0.085 4.236 4.320 0.002 0.000 0.208 186 K C 2.109 178.631 176.600 -0.129 0.000 1.048 186 K CA 0.302 56.616 56.287 0.045 0.000 0.929 186 K CB -0.631 31.935 32.500 0.110 0.000 0.713 186 K HN 0.199 nan 8.250 nan 0.000 0.439 187 I N 2.160 122.530 120.570 -0.333 0.000 2.394 187 I HA -0.238 3.933 4.170 0.002 0.000 0.251 187 I C 1.821 177.649 176.117 -0.482 0.000 1.136 187 I CA 1.481 62.399 61.300 -0.637 0.000 1.425 187 I CB -0.367 36.832 38.000 -1.335 0.000 1.079 187 I HN 0.107 nan 8.210 nan 0.000 0.425 188 D N 0.354 120.497 120.400 -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 1.420 55.226 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 1.264 121.801 120.570 -0.054 0.000 2.226 189 I HA -0.193 3.978 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 1.054 62.335 61.300 -0.031 0.000 1.374 189 I CB -1.650 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 0.215 122.883 122.820 -0.253 0.000 1.908 190 A HA -0.258 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 1.705 53.524 52.037 -0.363 0.000 0.627 190 A CB -0.700 18.093 19.000 -0.346 0.000 0.818 190 A HN 0.542 nan 8.150 nan 0.000 0.445 191 Q N -1.385 118.224 119.800 -0.318 0.000 2.167 191 Q HA -0.061 4.280 4.340 0.002 0.000 0.202 191 Q C 2.057 177.903 176.000 -0.257 0.000 0.970 191 Q CA 1.251 56.875 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 0.532 nan 8.270 nan 0.000 0.438 192 M N -0.069 119.403 119.600 -0.214 0.000 2.229 192 M HA -0.079 4.402 4.480 0.002 0.000 0.264 192 M C 2.026 178.109 176.300 -0.361 0.000 1.063 192 M CA 1.264 56.430 55.300 -0.224 0.000 1.114 192 M CB -0.511 32.100 32.600 0.018 0.000 1.387 192 M HN 0.263 nan 8.290 nan 0.000 0.420 193 I N -0.246 120.155 120.570 -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 1.134 62.251 61.300 -0.305 0.000 1.368 193 I CB -0.404 37.225 38.000 -0.618 0.000 1.058 193 I HN 0.258 nan 8.210 nan 0.000 0.410 194 Q N 1.288 120.918 119.800 -0.283 0.000 2.119 194 Q HA -0.200 4.141 4.340 0.002 0.000 0.201 194 Q C 2.071 177.978 176.000 -0.155 0.000 0.972 194 Q CA 1.598 57.278 55.803 -0.205 0.000 0.847 194 Q CB -0.457 28.144 28.738 -0.228 0.000 0.903 194 Q HN 0.467 nan 8.270 nan 0.000 0.433 195 L N 0.520 121.620 121.223 -0.206 0.000 2.012 195 L HA -0.204 4.137 4.340 0.002 0.000 0.210 195 L C 2.316 179.079 176.870 -0.179 0.000 1.073 195 L CA 2.385 57.127 54.840 -0.163 0.000 0.748 195 L CB -0.493 41.459 42.059 -0.179 0.000 0.891 195 L HN 0.443 nan 8.230 nan 0.000 0.431 196 E N -0.539 119.449 120.200 -0.354 0.000 2.051 196 E HA -0.278 4.074 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 1.333 57.610 56.400 -0.204 0.000 0.799 196 E CB -0.096 29.486 29.700 -0.197 0.000 0.748 196 E HN 0.475 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 -0.090 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 1.066 57.223 56.100 0.095 0.000 0.968 197 R CB -0.397 30.014 30.300 0.186 0.000 0.861 197 R HN 0.275 nan 8.270 nan 0.000 0.440 198 G N 0.398 109.223 108.800 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 0.158 45.291 45.100 0.055 0.000 0.776 198 G HN 0.240 nan 8.290 nan 0.000 0.542 199 F N 1.267 121.154 119.950 -0.105 0.000 2.113 199 F HA 0.109 4.638 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 0.930 58.865 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 0.047 121.096 121.223 -0.290 0.000 2.079 200 L HA -0.245 4.096 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 55.704 54.840 -0.674 0.000 0.752 200 L CB -1.193 40.139 42.059 -1.211 0.000 0.896 200 L HN 0.265 nan 8.230 nan 0.000 0.433 201 A N -0.274 122.343 122.820 -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 1.547 53.593 52.037 0.015 0.000 0.635 201 A CB -0.265 18.828 19.000 0.156 0.000 0.810 201 A HN 0.339 nan 8.150 nan 0.000 0.446 202 K N -0.481 119.831 120.400 -0.147 0.000 2.116 202 K HA 0.063 4.384 4.320 0.002 0.000 0.203 202 K C 1.690 178.166 176.600 -0.208 0.000 1.052 202 K CA 1.424 57.623 56.287 -0.146 0.000 0.952 202 K CB -0.175 32.246 32.500 -0.131 0.000 0.729 202 K HN 0.791 nan 8.250 nan 0.000 0.446 203 I N -2.608 117.753 120.570 -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 -0.135 60.980 61.300 -0.308 0.000 1.294 203 I CB 0.759 38.470 38.000 -0.482 0.000 1.051 203 I HN -0.319 nan 8.210 nan 0.000 0.435 204 V N 4.919 124.745 119.914 -0.147 0.000 2.350 204 V HA 0.401 4.522 4.120 0.002 0.000 0.285 204 V C -2.258 173.861 176.094 0.041 0.000 1.014 204 V CA -1.577 60.703 62.300 -0.033 0.000 0.831 204 V CB 1.164 32.983 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 0.961 178.305 177.300 0.073 0.000 1.195 205 P CA 1.332 64.458 63.100 0.042 0.000 0.762 205 P CB 0.956 32.671 31.700 0.025 0.000 0.799 206 G N 2.737 111.579 108.800 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 -0.108 174.842 174.900 0.085 0.000 0.982 206 G CA -0.183 44.954 45.100 0.062 0.000 0.632 206 G HN 0.553 nan 8.290 nan 0.000 0.529 207 F N 2.534 122.479 119.950 -0.008 0.000 2.504 207 F HA 0.537 5.066 4.527 0.002 0.000 0.369 207 F C 0.198 175.991 175.800 -0.011 0.000 1.082 207 F CA -0.860 57.137 58.000 -0.006 0.000 1.216 207 F CB 0.937 39.935 39.000 -0.004 0.000 1.108 207 F HN 0.028 nan 8.300 nan 0.000 0.554 208 D N 5.206 125.487 120.400 -0.199 0.000 2.329 208 D HA 0.079 4.720 4.640 0.002 0.000 0.232 208 D C 0.682 176.973 176.300 -0.014 0.000 1.088 208 D CA -0.240 53.717 54.000 -0.071 0.000 0.835 208 D CB 1.009 41.726 40.800 -0.138 0.000 1.078 208 D HN 0.782 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 0.583 177.214 176.600 0.052 0.000 1.047 209 E CA -0.267 56.228 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 1.115 116.821 115.700 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 0.391 58.587 58.200 -0.007 0.000 1.056 210 S CB 0.969 64.156 63.200 -0.022 0.000 0.853 210 S HN 0.407 nan 8.310 nan 0.000 0.505 211 T N 2.619 117.176 114.554 0.006 0.000 3.148 211 T HA 0.197 4.549 4.350 0.002 0.000 0.253 211 T C 1.841 176.561 174.700 0.033 0.000 1.134 211 T CA 0.504 62.632 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 1.695 124.509 122.820 -0.010 0.000 1.903 212 A HA -0.056 4.265 4.320 0.002 0.000 0.219 212 A C 2.513 180.060 177.584 -0.061 0.000 1.191 212 A CA 2.001 54.016 52.037 -0.037 0.000 0.638 212 A CB -1.265 17.710 19.000 -0.042 0.000 0.823 212 A HN 0.423 nan 8.150 nan 0.000 0.451 213 V N 1.097 120.967 119.914 -0.072 0.000 2.237 213 V HA -0.160 3.962 4.120 0.002 0.000 0.245 213 V C 0.013 176.051 176.094 -0.094 0.000 1.046 213 V CA 2.434 64.674 62.300 -0.100 0.000 1.007 213 V CB -1.610 30.131 31.823 -0.137 0.000 0.638 213 V HN 0.487 nan 8.190 nan 0.000 0.445 214 P HA -0.193 nan 4.420 nan 0.000 0.218 214 P C 1.553 178.826 177.300 -0.045 0.000 1.149 214 P CA 1.588 64.686 63.100 -0.004 0.000 0.817 214 P CB 0.030 31.777 31.700 0.077 0.000 0.785 215 K N 0.325 120.638 120.400 -0.145 0.000 2.057 215 K HA -0.077 4.244 4.320 0.002 0.000 0.206 215 K C 2.197 178.623 176.600 -0.291 0.000 1.050 215 K CA 1.379 57.325 56.287 -0.568 0.000 0.935 215 K CB -0.520 31.738 32.500 -0.403 0.000 0.715 215 K HN -0.063 nan 8.250 nan 0.000 0.439 216 A N 0.989 123.718 122.820 -0.151 0.000 1.972 216 A HA -0.187 4.134 4.320 0.002 0.000 0.219 216 A C 1.933 179.483 177.584 -0.056 0.000 1.169 216 A CA 1.848 53.827 52.037 -0.097 0.000 0.635 216 A CB -0.503 18.449 19.000 -0.080 0.000 0.810 216 A HN 0.488 nan 8.150 nan 0.000 0.446 217 E N -0.493 119.685 120.200 -0.035 0.000 2.051 217 E HA -0.198 4.153 4.350 0.002 0.000 0.192 217 E C 1.847 178.551 176.600 0.173 0.000 0.991 217 E CA 1.477 57.906 56.400 0.047 0.000 0.799 217 E CB -0.476 29.232 29.700 0.013 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 2.543 59.832 57.345 -0.094 0.000 1.297 218 W CB -0.531 28.733 29.460 -0.326 0.000 1.140 218 W HN 0.286 nan 8.180 nan 0.000 0.507 219 T N -1.959 112.536 114.554 -0.098 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 -0.275 118.373 118.700 -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 0.324 109.129 108.800 0.008 0.000 2.651 221 G HA2 0.121 4.082 3.960 0.002 0.000 0.260 221 G HA3 0.121 4.082 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 -0.039 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 -0.852 119.377 120.200 0.049 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 0.032 0.000 0.964 222 E CA 0.135 56.549 56.400 0.024 0.000 0.832 222 E CB -0.268 29.438 29.700 0.010 0.000 0.790 222 E HN 0.186 nan 8.360 nan 0.000 0.465 223 V N 0.393 120.320 119.914 0.022 0.000 2.317 223 V HA -0.264 3.857 4.120 0.002 0.000 0.251 223 V C 1.114 177.216 176.094 0.013 0.000 1.065 223 V CA 1.767 64.022 62.300 -0.075 0.000 1.049 223 V CB -0.395 31.294 31.823 -0.222 0.000 0.651 223 V HN 0.345 nan 8.190 nan 0.000 0.450 224 Y N -1.227 119.222 120.300 0.249 0.000 2.555 224 Y HA 0.248 4.799 4.550 0.002 0.000 0.259 224 Y C 1.902 177.746 175.900 -0.093 0.000 1.179 224 Y CA -0.657 57.582 58.100 0.232 0.000 1.230 224 Y CB -0.011 38.688 38.460 0.398 0.000 1.146 224 Y HN 0.037 nan 8.280 nan 0.000 0.526 225 K N 0.165 120.584 120.400 0.032 0.000 1.987 225 K HA -0.139 4.182 4.320 0.002 0.000 0.216 225 K C 2.058 178.583 176.600 -0.126 0.000 1.051 225 K CA 1.635 57.864 56.287 -0.095 0.000 0.942 225 K CB -0.746 31.720 32.500 -0.057 0.000 0.722 225 K HN 0.145 nan 8.250 nan 0.000 0.444 226 S N 0.835 116.502 115.700 -0.055 0.000 2.423 226 S HA -0.082 4.390 4.470 0.002 0.000 0.231 226 S C 1.952 176.490 174.600 -0.103 0.000 1.014 226 S CA 0.976 59.139 58.200 -0.062 0.000 0.965 226 S CB -0.154 63.036 63.200 -0.016 0.000 0.785 226 S HN 0.440 nan 8.310 nan 0.000 0.495 227 A N 2.082 124.828 122.820 -0.123 0.000 1.858 227 A HA -0.135 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 1.670 53.606 52.037 -0.168 0.000 0.617 227 A CB -0.608 18.397 19.000 0.009 0.000 0.827 227 A HN 0.454 nan 8.150 nan 0.000 0.443 228 R N -1.007 119.219 120.500 -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 57.277 56.100 -0.652 0.000 0.959 228 R CB -0.386 29.163 30.300 -1.252 0.000 0.856 228 R HN 0.369 nan 8.270 nan 0.000 0.437 229 L N 0.636 121.736 121.223 -0.205 0.000 2.017 229 L HA -0.096 4.245 4.340 0.002 0.000 0.208 229 L C 2.502 179.331 176.870 -0.069 0.000 1.073 229 L CA 2.121 56.893 54.840 -0.113 0.000 0.745 229 L CB -1.004 41.001 42.059 -0.090 0.000 0.894 229 L HN 0.311 nan 8.230 nan 0.000 0.432 230 A N -1.329 121.428 122.820 -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 1.834 53.782 52.037 -0.148 0.000 0.623 230 A CB -0.917 17.906 19.000 -0.295 0.000 0.818 230 A HN 0.212 nan 8.150 nan 0.000 0.443 231 V N 0.123 119.856 119.914 -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 64.574 62.300 -0.155 0.000 1.024 231 V CB -0.863 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 0.022 120.252 120.200 0.049 0.000 2.118 232 E HA -0.186 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 1.302 57.707 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 0.855 109.662 108.800 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 0.195 45.377 45.100 0.136 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 2.634 179.366 176.870 -0.229 0.000 1.076 234 L CA 1.294 55.785 54.840 -0.582 0.000 0.749 234 L CB -0.304 41.285 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 2.346 178.715 176.519 -0.250 0.000 1.176 235 W CA 1.144 58.329 57.345 -0.267 0.000 1.350 235 W CB -0.365 28.969 29.460 -0.210 0.000 1.148 235 W HN 0.072 nan 8.180 nan 0.000 0.498 236 Q N -0.013 119.635 119.800 -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 0.849 56.407 55.803 -0.409 0.000 0.927 236 Q CB 0.158 28.543 28.738 -0.589 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 -0.076 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 1.389 121.326 119.914 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 -0.212 62.125 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 0.982 120.927 119.950 -0.008 0.000 2.678 239 F HA 0.298 4.826 4.527 0.002 0.000 0.305 239 F C 0.956 176.776 175.800 0.034 0.000 1.090 239 F CA -0.335 57.673 58.000 0.015 0.000 1.272 239 F CB 0.564 39.573 39.000 0.016 0.000 1.060 239 F HN 0.438 nan 8.300 nan 0.000 0.576 240 D N 0.764 121.239 120.400 0.125 0.000 2.359 240 D HA -0.019 4.622 4.640 0.002 0.000 0.230 240 D C 1.252 177.537 176.300 -0.024 0.000 1.118 240 D CA -0.528 53.497 54.000 0.042 0.000 0.844 240 D CB 0.585 41.348 40.800 -0.061 0.000 1.059 240 D HN 0.305 nan 8.370 nan 0.000 0.493 241 W N 4.476 125.767 121.300 -0.015 0.000 2.331 241 W HA -0.170 4.491 4.660 0.002 0.000 0.291 241 W C 0.581 177.110 176.519 0.017 0.000 1.214 241 W CA 0.209 57.535 57.345 -0.031 0.000 1.228 241 W CB -0.800 28.641 29.460 -0.031 0.000 1.135 241 W HN 0.289 nan 8.180 nan 0.000 0.537 242 N N 1.182 119.588 118.700 -0.490 0.000 2.250 242 N HA -0.160 4.581 4.740 0.002 0.000 0.181 242 N C 1.776 177.139 175.510 -0.244 0.000 1.017 242 N CA 1.589 54.495 53.050 -0.241 0.000 0.866 242 N CB -0.539 37.826 38.487 -0.204 0.000 0.985 242 N HN 0.416 nan 8.380 nan 0.000 0.429 243 E N 0.677 120.425 120.200 -0.752 0.000 2.077 243 E HA -0.145 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 0.916 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 -0.174 115.292 115.700 -0.390 0.000 2.343 244 S HA -0.179 4.292 4.470 0.002 0.000 0.219 244 S C 2.078 176.512 174.600 -0.277 0.000 1.033 244 S CA 1.543 59.544 58.200 -0.331 0.000 1.014 244 S CB -0.389 62.675 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 4.302 4.320 0.002 0.000 0.216 245 A C 2.068 179.660 177.584 0.013 0.000 1.186 245 A CA 1.776 53.900 52.037 0.144 0.000 0.620 245 A CB -1.178 18.186 19.000 0.606 0.000 0.822 245 A HN 0.706 nan 8.150 nan 0.000 0.443 246 F N 1.873 121.594 119.950 -0.380 0.000 2.102 246 F HA -0.202 4.326 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 2.279 59.941 58.000 -0.564 0.000 1.239 246 F CB -0.316 38.327 39.000 -0.595 0.000 0.991 246 F HN 0.308 nan 8.300 nan 0.000 0.474 247 S N -0.596 115.011 115.700 -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 -0.409 0.000 0.784 247 S HN 0.223 nan 8.310 nan 0.000 0.499 248 V N 2.065 121.717 119.914 -0.436 0.000 2.283 248 V HA -0.102 4.020 4.120 0.002 0.000 0.243 248 V C 2.677 178.556 176.094 -0.360 0.000 1.039 248 V CA 1.829 63.879 62.300 -0.418 0.000 1.016 248 V CB -0.731 30.736 31.823 -0.593 0.000 0.650 248 V HN 0.618 nan 8.190 nan 0.000 0.449 249 H N -0.361 118.591 119.070 -0.197 0.000 2.448 249 H HA 0.244 4.801 4.556 0.002 0.000 0.292 249 H C 1.926 177.023 175.328 -0.385 0.000 1.035 249 H CA 1.339 57.250 56.048 -0.229 0.000 1.349 249 H CB 0.093 29.669 29.762 -0.310 0.000 1.425 249 H HN 0.459 nan 8.280 nan 0.000 0.539 250 A N 0.458 123.002 122.820 -0.460 0.000 2.465 250 A HA 0.381 4.702 4.320 0.002 0.000 0.255 250 A C 1.361 178.693 177.584 -0.420 0.000 1.274 250 A CA 0.040 51.656 52.037 -0.702 0.000 0.920 250 A CB 0.382 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 -2.603 117.140 119.914 -0.285 0.000 4.763 251 V HA 0.041 4.162 4.120 0.002 0.000 0.146 251 V C 1.630 177.634 176.094 -0.150 0.000 1.198 251 V CA 0.576 62.805 62.300 -0.119 0.000 1.220 251 V CB -1.193 30.620 31.823 -0.017 0.000 1.571 251 V HN 0.388 nan 8.190 nan 0.000 0.595 252 Y N 1.882 122.076 120.300 -0.177 0.000 2.049 252 Y HA -0.257 4.294 4.550 0.002 0.000 0.277 252 Y C 2.297 178.210 175.900 0.022 0.000 1.143 252 Y CA 2.723 60.770 58.100 -0.089 0.000 1.115 252 Y CB -0.311 38.072 38.460 -0.130 0.000 0.975 252 Y HN 0.490 nan 8.280 nan 0.000 0.487 253 D N -0.403 119.995 120.400 -0.002 0.000 2.219 253 D HA -0.098 4.543 4.640 0.002 0.000 0.205 253 D C 2.058 178.418 176.300 0.100 0.000 0.970 253 D CA 1.113 55.143 54.000 0.050 0.000 0.851 253 D CB -0.281 40.658 40.800 0.232 0.000 0.943 253 D HN 0.438 nan 8.370 nan 0.000 0.488 254 A N -0.521 122.348 122.820 0.082 0.000 2.015 254 A HA -0.005 4.316 4.320 0.002 0.000 0.219 254 A C 2.075 179.670 177.584 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 -0.087 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 -0.144 0.000 1.103 256 F CA 1.728 59.573 58.000 -0.260 0.000 1.248 256 F CB -0.574 38.125 39.000 -0.502 0.000 0.999 256 F HN 0.009 nan 8.300 nan 0.000 0.475 257 G N -0.299 108.428 108.800 -0.121 0.000 2.421 257 G HA2 -0.234 3.727 3.960 0.002 0.000 0.216 257 G HA3 -0.234 3.727 3.960 0.002 0.000 0.216 257 G C 1.490 176.306 174.900 -0.141 0.000 1.171 257 G CA 0.651 45.756 45.100 0.009 0.000 0.775 257 G HN 0.334 nan 8.290 nan 0.000 0.543 258 Q N -0.502 119.174 119.800 -0.207 0.000 2.170 258 Q HA -0.076 4.266 4.340 0.002 0.000 0.203 258 Q C 2.201 178.098 176.000 -0.171 0.000 0.976 258 Q CA 0.829 56.468 55.803 -0.272 0.000 0.858 258 Q CB -0.403 28.163 28.738 -0.286 0.000 0.907 258 Q HN 0.570 nan 8.270 nan 0.000 0.433 259 F N 0.625 120.430 119.950 -0.241 0.000 2.084 259 F HA -0.186 4.342 4.527 0.002 0.000 0.296 259 F C 2.185 177.862 175.800 -0.205 0.000 1.111 259 F CA 0.994 58.887 58.000 -0.179 0.000 1.224 259 F CB -0.189 38.707 39.000 -0.173 0.000 0.991 259 F HN -0.197 nan 8.300 nan 0.000 0.471 260 V N 0.948 120.597 119.914 -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 -0.170 0.000 1.051 260 V CA 2.244 64.225 62.300 -0.531 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 -0.467 119.900 120.500 -0.222 0.000 2.057 261 R HA -0.054 4.287 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 1.473 57.549 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 1.428 177.621 176.300 -0.178 0.000 1.100 262 R CA 0.878 56.900 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 -0.758 119.249 120.200 -0.322 0.000 2.447 263 E HA -0.051 4.301 4.350 0.002 0.000 0.195 263 E C 0.832 177.187 176.600 -0.409 0.000 1.028 263 E CA 0.433 56.564 56.400 -0.449 0.000 0.876 263 E CB 0.257 29.527 29.700 -0.716 0.000 0.885 263 E HN 0.261 nan 8.360 nan 0.000 0.500 264 F N -0.751 118.940 119.950 -0.431 0.000 2.515 264 F HA 0.119 4.647 4.527 0.002 0.000 0.267 264 F C 1.656 177.318 175.800 -0.229 0.000 0.923 264 F CA 0.161 57.986 58.000 -0.291 0.000 1.107 264 F CB -0.342 38.507 39.000 -0.252 0.000 1.175 264 F HN -0.203 nan 8.300 nan 0.000 0.742 265 F N 1.135 121.266 119.950 0.301 0.000 2.113 265 F HA -0.136 4.392 4.527 0.002 0.000 0.297 265 F C 2.585 178.354 175.800 -0.052 0.000 1.103 265 F CA 1.784 59.892 58.000 0.180 0.000 1.248 265 F CB -0.973 38.017 39.000 -0.016 0.000 0.999 265 F HN 0.110 nan 8.300 nan 0.000 0.475 266 Q N 0.439 120.263 119.800 0.040 0.000 2.167 266 Q HA -0.133 4.208 4.340 0.002 0.000 0.202 266 Q C 2.249 178.194 176.000 -0.092 0.000 0.970 266 Q CA 1.369 57.143 55.803 -0.048 0.000 0.855 266 Q CB -0.163 28.533 28.738 -0.069 0.000 0.911 266 Q HN 0.279 nan 8.270 nan 0.000 0.438 267 R N -0.983 119.439 120.500 -0.129 0.000 2.093 267 R HA 0.060 4.401 4.340 0.002 0.000 0.224 267 R C 1.693 177.857 176.300 -0.227 0.000 1.101 267 R CA 1.018 57.017 56.100 -0.168 0.000 0.979 267 R CB 0.094 30.287 30.300 -0.178 0.000 0.877 267 R HN 0.327 nan 8.270 nan 0.000 0.441 268 L N -0.762 120.280 121.223 -0.302 0.000 2.357 268 L HA 0.224 4.565 4.340 0.002 0.000 0.211 268 L C 2.488 179.040 176.870 -0.531 0.000 1.075 268 L CA 0.504 55.098 54.840 -0.410 0.000 0.830 268 L CB -0.308 41.416 42.059 -0.559 0.000 0.996 268 L HN 0.171 nan 8.230 nan 0.000 0.467 269 A N 1.307 123.854 122.820 -0.455 0.000 1.948 269 A HA -0.152 4.169 4.320 0.002 0.000 0.220 269 A C -0.192 177.154 177.584 -0.398 0.000 1.177 269 A CA 1.847 53.553 52.037 -0.550 0.000 0.636 269 A CB -1.718 17.352 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 1.218 178.359 177.300 -0.263 0.000 1.148 270 P CA 0.982 63.970 63.100 -0.187 0.000 0.803 270 P CB -0.093 31.519 31.700 -0.147 0.000 0.782 271 R N -1.869 118.391 120.500 -0.400 0.000 2.316 271 R HA 0.043 4.384 4.340 0.002 0.000 0.202 271 R C 0.525 176.352 176.300 -0.789 0.000 1.029 271 R CA 0.772 56.531 56.100 -0.568 0.000 1.018 271 R CB -0.400 29.491 30.300 -0.683 0.000 0.888 271 R HN 0.281 nan 8.270 nan 0.000 0.471 272 F N -0.418 119.253 119.950 -0.465 0.000 2.791 272 F HA 0.304 4.832 4.527 0.002 0.000 0.308 272 F C 1.161 176.853 175.800 -0.180 0.000 1.138 272 F CA -0.185 57.598 58.000 -0.362 0.000 1.294 272 F CB 1.040 39.667 39.000 -0.623 0.000 0.975 272 F HN 0.056 nan 8.300 nan 0.000 0.512 273 G N 1.204 109.977 108.800 -0.045 0.000 2.249 273 G HA2 -0.312 3.649 3.960 0.002 0.000 0.273 273 G HA3 -0.312 3.649 3.960 0.002 0.000 0.273 273 G C -0.374 174.594 174.900 0.113 0.000 1.036 273 G CA 0.394 45.514 45.100 0.032 0.000 0.824 273 G HN 0.384 nan 8.290 nan 0.000 0.504 274 D N -0.240 120.210 120.400 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 53.256 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 3.091 121.935 118.700 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 53.097 53.050 0.220 0.000 0.859 275 N CB 0.590 39.239 38.487 0.270 0.000 0.982 275 N HN 0.388 nan 8.380 nan 0.000 0.493 276 L N 1.116 122.485 121.223 0.242 0.000 2.023 276 L HA -0.003 4.338 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 41.052 42.059 0.036 0.000 0.900 276 L HN -0.022 nan 8.230 nan 0.000 0.435 277 T N 0.407 115.103 114.554 0.237 0.000 2.708 277 T HA -0.080 4.271 4.350 0.002 0.000 0.266 277 T C -0.510 174.227 174.700 0.062 0.000 1.037 277 T CA 1.776 63.963 62.100 0.146 0.000 1.146 277 T CB -1.188 67.657 68.868 -0.038 0.000 0.865 277 T HN 0.280 nan 8.240 nan 0.000 0.435 278 P HA -0.042 nan 4.420 nan 0.000 0.218 278 P C 1.178 178.405 177.300 -0.120 0.000 1.148 278 P CA 0.638 63.710 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 -0.875 118.887 119.950 -0.314 0.000 2.161 279 F HA -0.200 4.329 4.527 0.002 0.000 0.300 279 F C 1.695 177.086 175.800 -0.682 0.000 1.089 279 F CA 1.641 59.240 58.000 -0.668 0.000 1.282 279 F CB -0.524 37.744 39.000 -1.220 0.000 1.010 279 F HN -0.183 nan 8.300 nan 0.000 0.485 280 F N -0.080 119.853 119.950 -0.028 0.000 2.270 280 F HA 0.017 4.545 4.527 0.002 0.000 0.295 280 F C 2.222 177.974 175.800 -0.080 0.000 1.087 280 F CA 0.814 58.796 58.000 -0.030 0.000 1.365 280 F CB -0.753 38.339 39.000 0.154 0.000 1.056 280 F HN -0.124 nan 8.300 nan 0.000 0.506 281 I N 0.137 120.743 120.570 0.060 0.000 2.361 281 I HA -0.289 3.882 4.170 0.002 0.000 0.251 281 I C 1.928 177.987 176.117 -0.097 0.000 1.133 281 I CA 0.849 62.158 61.300 0.015 0.000 1.413 281 I CB -0.479 37.473 38.000 -0.081 0.000 1.073 281 I HN 0.144 nan 8.210 nan 0.000 0.424 282 N N 0.881 119.455 118.700 -0.211 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 1.343 54.236 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 0.221 119.778 119.800 -0.404 0.000 2.046 283 Q HA 0.035 4.377 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 56.876 55.803 -0.625 0.000 0.836 283 Q CB -0.164 28.237 28.738 -0.562 0.000 0.896 283 Q HN 0.378 nan 8.270 nan 0.000 0.428 284 A N 0.990 123.588 122.820 -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 1.362 53.336 52.037 -0.106 0.000 0.627 284 A CB -0.368 18.710 19.000 0.131 0.000 0.818 284 A HN 0.234 nan 8.150 nan 0.000 0.445 285 Q N -0.606 119.201 119.800 0.010 0.000 2.123 285 Q HA -0.080 4.262 4.340 0.002 0.000 0.199 285 Q C 2.174 178.263 176.000 0.148 0.000 0.966 285 Q CA 1.850 57.710 55.803 0.096 0.000 0.845 285 Q CB -1.127 27.622 28.738 0.019 0.000 0.907 285 Q HN 0.670 nan 8.270 nan 0.000 0.439 286 T N 0.922 115.499 114.554 0.039 0.000 2.746 286 T HA -0.123 4.228 4.350 0.002 0.000 0.267 286 T C 1.534 176.405 174.700 0.285 0.000 1.039 286 T CA 1.120 63.285 62.100 0.109 0.000 1.142 286 T CB -0.253 68.639 68.868 0.040 0.000 0.866 286 T HN 0.204 nan 8.240 nan 0.000 0.444 287 Y N 0.384 120.758 120.300 0.123 0.000 2.200 287 Y HA 0.047 4.598 4.550 0.002 0.000 0.290 287 Y C 2.125 178.119 175.900 0.157 0.000 1.137 287 Y CA -0.411 57.771 58.100 0.137 0.000 1.163 287 Y CB -1.354 37.190 38.460 0.140 0.000 0.988 287 Y HN 0.236 nan 8.280 nan 0.000 0.518 288 F N 1.267 121.363 119.950 0.244 0.000 2.102 288 F HA -0.239 4.289 4.527 0.002 0.000 0.298 288 F C 2.188 178.073 175.800 0.141 0.000 1.105 288 F CA 1.673 59.780 58.000 0.178 0.000 1.239 288 F CB -0.161 38.938 39.000 0.165 0.000 0.991 288 F HN -0.046 nan 8.300 nan 0.000 0.474 289 Q N 0.370 120.333 119.800 0.271 0.000 2.167 289 Q HA -0.105 4.236 4.340 0.002 0.000 0.202 289 Q C 2.493 178.523 176.000 0.050 0.000 0.970 289 Q CA 1.496 57.393 55.803 0.157 0.000 0.855 289 Q CB -0.398 28.466 28.738 0.209 0.000 0.911 289 Q HN 0.541 nan 8.270 nan 0.000 0.438 290 I N 0.464 121.086 120.570 0.087 0.000 2.202 290 I HA -0.233 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 -0.344 37.738 38.000 0.137 0.000 1.058 290 I HN 0.060 nan 8.210 nan 0.000 0.410 291 A N 0.628 123.409 122.820 -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 -0.446 0.000 1.175 291 A CA 1.918 53.758 52.037 -0.327 0.000 0.628 291 A CB -0.574 18.084 19.000 -0.571 0.000 0.814 291 A HN 0.355 nan 8.150 nan 0.000 0.444 292 K N -0.313 119.855 120.400 -0.386 0.000 2.044 292 K HA -0.270 4.051 4.320 0.002 0.000 0.210 292 K C 2.203 178.759 176.600 -0.073 0.000 1.049 292 K CA 1.974 58.111 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 -0.792 119.004 119.800 -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 1.497 57.351 55.803 0.085 0.000 0.850 293 Q CB -0.196 28.600 28.738 0.096 0.000 0.901 293 Q HN 0.548 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 -0.069 0.000 1.038 295 V CB -0.608 31.011 31.823 -0.342 0.000 0.651 295 V HN 0.428 nan 8.190 nan 0.000 0.450 296 Q N -0.521 119.327 119.800 0.081 0.000 2.079 296 Q HA -0.258 4.083 4.340 0.002 0.000 0.200 296 Q C 2.094 178.176 176.000 0.136 0.000 0.974 296 Q CA 1.983 57.859 55.803 0.121 0.000 0.840 296 Q CB -0.243 28.645 28.738 0.250 0.000 0.898 296 Q HN 0.750 nan 8.270 nan 0.000 0.430 297 D N 0.131 120.650 120.400 0.198 0.000 2.097 297 D HA -0.183 4.459 4.640 0.002 0.000 0.195 297 D C 1.741 178.149 176.300 0.180 0.000 0.989 297 D CA 0.703 54.844 54.000 0.236 0.000 0.827 297 D CB 0.063 41.058 40.800 0.325 0.000 0.966 297 D HN 0.084 nan 8.370 nan 0.000 0.456 298 L N -0.480 120.784 121.223 0.069 0.000 1.988 298 L HA -0.115 4.226 4.340 0.002 0.000 0.207 298 L C 1.766 178.403 176.870 -0.387 0.000 1.071 298 L CA 1.712 56.386 54.840 -0.277 0.000 0.744 298 L CB -1.077 40.577 42.059 -0.675 0.000 0.893 298 L HN 0.163 nan 8.230 nan 0.000 0.433 299 Y N -1.873 118.378 120.300 -0.082 0.000 2.373 299 Y HA -0.143 4.408 4.550 0.002 0.000 0.293 299 Y C 1.891 177.703 175.900 -0.147 0.000 1.129 299 Y CA 1.366 59.366 58.100 -0.168 0.000 1.226 299 Y CB -0.441 37.919 38.460 -0.166 0.000 1.000 299 Y HN 0.232 nan 8.280 nan 0.000 0.549 300 Y N -1.911 118.533 120.300 0.240 0.000 2.447 300 Y HA 0.069 4.620 4.550 0.002 0.000 0.286 300 Y C 2.272 178.233 175.900 0.100 0.000 1.153 300 Y CA 0.062 58.262 58.100 0.166 0.000 1.241 300 Y CB -1.201 37.353 38.460 0.158 0.000 1.284 300 Y HN 0.031 nan 8.280 nan 0.000 0.520 301 N N -0.187 118.651 118.700 0.230 0.000 2.084 301 N HA -0.170 4.572 4.740 0.002 0.000 0.190 301 N C 1.366 176.927 175.510 0.085 0.000 1.030 301 N CA 1.874 55.010 53.050 0.143 0.000 0.849 301 N CB -0.068 38.499 38.487 0.133 0.000 1.012 301 N HN 0.287 nan 8.380 nan 0.000 0.423 302 C N -0.165 119.171 119.300 0.059 0.000 2.564 302 C HA 0.150 4.611 4.460 0.002 0.000 0.281 302 C C 2.546 177.517 174.990 -0.031 0.000 1.314 302 C CA -0.204 58.816 59.018 0.004 0.000 1.706 302 C CB -0.866 26.868 27.740 -0.010 0.000 2.109 302 C HN 0.430 nan 8.230 nan 0.000 0.502 303 L N 1.397 122.595 121.223 -0.041 0.000 2.121 303 L HA 0.186 4.527 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 2.279 57.094 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 -0.914 107.955 108.800 0.116 0.000 2.448 304 G HA2 -0.198 3.763 3.960 0.002 0.000 0.219 304 G HA3 -0.198 3.763 3.960 0.002 0.000 0.219 304 G C 0.760 175.730 174.900 0.117 0.000 1.127 304 G CA 0.720 45.910 45.100 0.150 0.000 0.766 304 G HN 0.358 nan 8.290 nan 0.000 0.552 305 D N 0.202 120.666 120.400 0.106 0.000 2.424 305 D HA 0.096 4.737 4.640 0.002 0.000 0.220 305 D C 0.190 176.520 176.300 0.050 0.000 1.150 305 D CA -0.370 53.675 54.000 0.075 0.000 0.831 305 D CB 0.187 41.035 40.800 0.078 0.000 0.981 305 D HN 0.236 nan 8.370 nan 0.000 0.500 306 D N 2.093 122.526 120.400 0.054 0.000 2.533 306 D HA -0.054 4.587 4.640 0.002 0.000 0.236 306 D C -1.163 175.151 176.300 0.023 0.000 1.137 306 D CA -0.998 53.030 54.000 0.046 0.000 0.867 306 D CB 1.892 42.753 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 1.186 64.265 63.100 -0.035 0.000 0.795 307 P CB 0.441 32.123 31.700 -0.029 0.000 0.775 308 E N -2.024 118.080 120.200 -0.160 0.000 2.330 308 E HA 0.113 4.464 4.350 0.002 0.000 0.200 308 E C 0.777 177.006 176.600 -0.618 0.000 0.922 308 E CA 0.261 56.401 56.400 -0.434 0.000 0.935 308 E CB 0.188 29.494 29.700 -0.658 0.000 0.917 308 E HN 0.204 nan 8.360 nan 0.000 0.491 309 F N -0.111 119.838 119.950 -0.001 0.000 2.668 309 F HA 0.228 4.757 4.527 0.002 0.000 0.301 309 F C 1.890 177.733 175.800 0.072 0.000 1.106 309 F CA -0.187 57.842 58.000 0.050 0.000 1.289 309 F CB 0.502 39.533 39.000 0.052 0.000 1.006 309 F HN -0.097 nan 8.300 nan 0.000 0.535 310 S N 0.984 116.761 115.700 0.128 0.000 2.369 310 S HA -0.333 4.138 4.470 0.002 0.000 0.225 310 S C 2.078 176.731 174.600 0.088 0.000 1.043 310 S CA 2.618 60.874 58.200 0.094 0.000 1.074 310 S CB -0.422 62.808 63.200 0.050 0.000 0.962 310 S HN 0.531 nan 8.310 nan 0.000 0.433 311 D N -1.314 119.134 120.400 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 1.580 55.619 54.000 0.066 0.000 0.833 311 D CB -0.385 40.448 40.800 0.056 0.000 0.954 311 D HN 0.636 nan 8.370 nan 0.000 0.455 312 Y N 1.072 121.400 120.300 0.046 0.000 2.114 312 Y HA -0.187 4.364 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 59.964 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 0.485 119.125 118.700 -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 -0.300 0.000 1.019 313 N CA 1.565 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 0.008 120.422 120.500 -0.143 0.000 2.092 314 R HA 0.015 4.356 4.340 0.002 0.000 0.231 314 R C 1.994 178.198 176.300 -0.159 0.000 1.119 314 R CA 1.278 57.319 56.100 -0.098 0.000 0.970 314 R CB -0.450 29.846 30.300 -0.006 0.000 0.864 314 R HN 0.192 nan 8.270 nan 0.000 0.440 315 T N 0.831 115.267 114.554 -0.196 0.000 2.708 315 T HA -0.101 4.250 4.350 0.002 0.000 0.266 315 T C 2.008 176.508 174.700 -0.332 0.000 1.037 315 T CA 1.380 63.364 62.100 -0.195 0.000 1.146 315 T CB -0.137 68.634 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 2.469 177.919 176.094 -1.072 0.000 1.047 316 V CA 1.576 63.356 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 -0.864 118.213 119.600 -0.871 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 -0.216 0.000 1.063 317 M CA 1.664 56.487 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 0.201 nan 8.290 nan 0.000 0.420 318 R N 0.013 120.469 120.500 -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 1.128 57.351 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 0.454 119.162 118.700 0.014 0.000 2.084 319 N HA -0.195 4.546 4.740 0.002 0.000 0.190 319 N C 1.342 176.992 175.510 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 38.375 38.487 -0.083 0.000 1.012 319 N HN 0.236 nan 8.380 nan 0.000 0.423 320 W N 1.290 122.654 121.300 0.107 0.000 2.402 320 W HA 0.049 4.710 4.660 0.002 0.000 0.286 320 W C 2.392 179.114 176.519 0.339 0.000 1.221 320 W CA 0.870 58.359 57.345 0.239 0.000 1.257 320 W CB -1.383 28.228 29.460 0.251 0.000 1.120 320 W HN 0.076 nan 8.180 nan 0.000 0.551 321 T N -0.242 114.600 114.554 0.481 0.000 2.708 321 T HA -0.108 4.243 4.350 0.002 0.000 0.266 321 T C 2.093 176.869 174.700 0.126 0.000 1.037 321 T CA 1.996 64.232 62.100 0.226 0.000 1.146 321 T CB -0.835 67.906 68.868 -0.213 0.000 0.865 321 T HN 0.246 nan 8.240 nan 0.000 0.435 322 G N 1.366 110.296 108.800 0.218 0.000 2.418 322 G HA2 -0.225 3.736 3.960 0.002 0.000 0.217 322 G HA3 -0.225 3.736 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 1.059 46.328 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 2.063 323 K HA -0.146 4.175 4.320 0.002 0.000 0.208 323 K C 2.049 178.462 176.600 -0.312 0.000 1.048 323 K CA 1.492 57.691 56.287 -0.147 0.000 0.928 323 K CB -0.282 32.090 32.500 -0.213 0.000 0.713 323 K HN 0.528 nan 8.250 nan 0.000 0.442 324 W N 0.097 121.455 121.300 0.096 0.000 3.114 324 W HA 0.106 4.767 4.660 0.002 0.000 0.279 324 W C 1.546 178.079 176.519 0.023 0.000 1.277 324 W CA -0.662 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 2.053 56.939 54.840 0.077 0.000 0.755 325 L CB -0.751 41.357 42.059 0.081 0.000 0.904 325 L HN -0.124 nan 8.230 nan 0.000 0.435 326 E N 0.038 120.278 120.200 0.066 0.000 2.031 326 E HA -0.144 4.207 4.350 0.002 0.000 0.193 326 E C -0.648 175.977 176.600 0.043 0.000 0.994 326 E CA 1.972 58.396 56.400 0.039 0.000 0.800 326 E CB -1.074 28.631 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 0.951 178.330 177.300 0.130 0.000 1.151 327 P CA 1.284 64.434 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 0.456 115.116 114.554 0.175 0.000 2.737 328 T HA -0.029 4.322 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 0.909 63.120 62.100 0.186 0.000 1.144 328 T CB -0.669 68.274 68.868 0.124 0.000 0.866 328 T HN 0.062 nan 8.240 nan 0.000 0.434 329 I N 1.367 121.958 120.570 0.034 0.000 2.286 329 I HA -0.187 3.984 4.170 0.002 0.000 0.248 329 I C 2.852 178.991 176.117 0.037 0.000 1.115 329 I CA 1.046 62.353 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 0.613 123.457 122.820 0.040 0.000 1.972 330 A HA -0.140 4.181 4.320 0.002 0.000 0.219 330 A C 2.527 180.141 177.584 0.051 0.000 1.169 330 A CA 1.721 53.779 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 -0.182 122.663 122.820 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 18.205 19.000 -0.315 0.000 0.822 331 A HN 0.458 nan 8.150 nan 0.000 0.443 332 L N -1.092 120.304 121.223 0.288 0.000 2.046 332 L HA -0.178 4.163 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 1.683 56.689 54.840 0.276 0.000 0.747 332 L CB -0.450 41.634 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 2.181 58.325 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 -0.276 120.193 120.400 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 1.069 121.054 119.950 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 0.896 58.886 58.000 -0.017 0.000 1.360 335 F CB -0.103 38.992 39.000 0.159 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 2.488 178.828 176.300 0.066 0.000 1.066 336 M CA 1.313 56.731 55.300 0.196 0.000 1.082 336 M CB -2.263 30.446 32.600 0.182 0.000 1.388 336 M HN 0.281 nan 8.290 nan 0.000 0.419 337 G N -0.060 108.692 108.800 -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 0.361 45.401 45.100 -0.100 0.000 0.766 337 G HN 0.401 nan 8.290 nan 0.000 0.553 338 L N -0.267 120.631 121.223 -0.541 0.000 2.201 338 L HA 0.205 4.546 4.340 0.002 0.000 0.212 338 L C 2.329 178.960 176.870 -0.397 0.000 1.105 338 L CA 1.086 55.487 54.840 -0.732 0.000 0.775 338 L CB -0.599 40.588 42.059 -1.453 0.000 0.913 338 L HN 0.199 nan 8.230 nan 0.000 0.440 339 F N -0.019 119.882 119.950 -0.081 0.000 2.161 339 F HA -0.173 4.355 4.527 0.002 0.000 0.300 339 F C 2.506 178.336 175.800 0.050 0.000 1.089 339 F CA 1.236 59.278 58.000 0.070 0.000 1.282 339 F CB -1.209 37.836 39.000 0.076 0.000 1.010 339 F HN 0.181 nan 8.300 nan 0.000 0.485 340 A N -0.325 122.593 122.820 0.164 0.000 2.121 340 A HA -0.140 4.182 4.320 0.002 0.000 0.218 340 A C 2.032 179.680 177.584 0.108 0.000 1.154 340 A CA 1.145 53.253 52.037 0.117 0.000 0.679 340 A CB -0.593 18.452 19.000 0.074 0.000 0.795 340 A HN 0.386 nan 8.150 nan 0.000 0.458 341 K N -0.684 119.776 120.400 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 0.006 32.537 32.500 0.051 0.000 0.808 341 K HN 0.397 nan 8.250 nan 0.000 0.505 342 L N 2.387 123.771 121.223 0.268 0.000 2.452 342 L HA 0.135 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 -2.043 52.896 54.840 0.165 0.000 0.821 342 L CB -0.015 42.103 42.059 0.098 0.000 1.102 342 L HN -0.183 nan 8.230 nan 0.000 0.470 343 P HA 0.030 nan 4.420 nan 0.000 0.267 343 P C -0.716 176.661 177.300 0.130 0.000 1.200 343 P CA -0.223 62.984 63.100 0.179 0.000 0.772 343 P CB 0.572 32.417 31.700 0.242 0.000 0.855 344 A N 2.867 125.746 122.820 0.098 0.000 2.565 344 A HA 0.386 4.707 4.320 0.002 0.000 0.237 344 A C 1.542 179.150 177.584 0.039 0.000 1.053 344 A CA 0.776 52.852 52.037 0.065 0.000 0.755 344 A CB -1.277 17.754 19.000 0.052 0.000 0.980 344 A HN 0.912 nan 8.150 nan 0.000 0.506 345 G N 1.680 110.491 108.800 0.019 0.000 2.159 345 G HA2 -0.275 3.686 3.960 0.002 0.000 0.256 345 G HA3 -0.275 3.686 3.960 0.002 0.000 0.256 345 G C 0.894 175.767 174.900 -0.045 0.000 0.977 345 G CA 1.071 46.162 45.100 -0.015 0.000 0.652 345 G HN 1.050 nan 8.290 nan 0.000 0.531 346 T N -0.819 113.725 114.554 -0.017 0.000 2.737 346 T HA 0.251 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 64.398 62.100 -0.059 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 70.578 68.868 -0.049 0.000 1.537 347 T HN 0.349 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 0.574 176.803 176.300 -0.119 0.000 1.214 348 D CA -0.782 53.170 54.000 -0.079 0.000 0.932 348 D CB 0.933 41.701 40.800 -0.053 0.000 1.420 348 D HN 0.544 nan 8.370 nan 0.000 0.471 349 K N -0.797 119.547 120.400 -0.092 0.000 2.147 349 K HA -0.161 4.161 4.320 0.002 0.000 0.205 349 K C 1.008 177.570 176.600 -0.063 0.000 1.049 349 K CA 1.424 57.654 56.287 -0.094 0.000 0.936 349 K CB 0.082 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 0.793 120.967 120.200 -0.043 0.000 2.106 350 E HA -0.132 4.219 4.350 0.002 0.000 0.192 350 E C 1.682 178.272 176.600 -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 0.119 120.293 120.200 -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 1.148 121.655 120.570 -0.104 0.000 2.163 352 I HA -0.266 3.905 4.170 0.002 0.000 0.243 352 I C 2.482 178.615 176.117 0.027 0.000 1.085 352 I CA 1.231 62.455 61.300 -0.125 0.000 1.347 352 I CB -0.455 37.283 38.000 -0.437 0.000 1.044 352 I HN 0.078 nan 8.210 nan 0.000 0.408 353 T N 0.767 115.335 114.554 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 1.507 63.676 62.100 0.114 0.000 1.142 353 T CB -0.366 68.580 68.868 0.130 0.000 0.866 353 T HN 0.490 nan 8.240 nan 0.000 0.444 354 A N 1.913 124.836 122.820 0.172 0.000 1.902 354 A HA -0.130 4.191 4.320 0.002 0.000 0.217 354 A C 2.606 180.308 177.584 0.197 0.000 1.181 354 A CA 2.290 54.433 52.037 0.178 0.000 0.623 354 A CB -0.958 18.091 19.000 0.081 0.000 0.818 354 A HN 0.621 nan 8.150 nan 0.000 0.443 355 S N -0.676 115.127 115.700 0.171 0.000 2.383 355 S HA -0.103 4.368 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 1.421 59.740 58.200 0.198 0.000 0.981 355 S CB -0.490 62.801 63.200 0.151 0.000 0.818 355 S HN 0.211 nan 8.310 nan 0.000 0.472 356 L N 0.568 121.989 121.223 0.330 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 -1.670 40.356 42.059 -0.054 0.000 0.896 356 L HN 0.307 nan 8.230 nan 0.000 0.432 357 Y N -0.278 120.103 120.300 0.136 0.000 2.274 357 Y HA -0.188 4.363 4.550 0.002 0.000 0.290 357 Y C 2.735 178.717 175.900 0.137 0.000 1.145 357 Y CA 1.221 59.394 58.100 0.122 0.000 1.203 357 Y CB -0.239 38.274 38.460 0.089 0.000 0.984 357 Y HN 0.144 nan 8.280 nan 0.000 0.533 358 R N -0.804 119.860 120.500 0.273 0.000 2.073 358 R HA -0.151 4.190 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 1.707 57.930 56.100 0.204 0.000 0.952 358 R CB -0.830 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 0.517 120.562 119.914 0.218 0.000 2.295 359 V HA -0.228 3.893 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 1.675 64.109 62.300 0.224 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 2.199 64.682 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 0.002 120.591 120.400 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 -0.515 120.044 120.400 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 0.548 54.701 54.000 0.254 0.000 0.829 362 D CB -0.411 40.544 40.800 0.258 0.000 0.961 362 D HN 0.338 nan 8.370 nan 0.000 0.460 363 W N 1.363 122.820 121.300 0.263 0.000 2.381 363 W HA -0.029 4.632 4.660 0.002 0.000 0.301 363 W C 1.970 178.678 176.519 0.316 0.000 1.205 363 W CA 0.932 58.503 57.345 0.376 0.000 1.285 363 W CB -0.385 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 0.371 120.999 120.570 0.095 0.000 2.226 364 I HA -0.278 3.893 4.170 0.002 0.000 0.245 364 I C 2.551 178.591 176.117 -0.129 0.000 1.100 364 I CA 1.951 63.164 61.300 -0.144 0.000 1.374 364 I CB -0.645 37.397 38.000 0.069 0.000 1.057 364 I HN 0.105 nan 8.210 nan 0.000 0.413 365 E N 0.987 121.172 120.200 -0.025 0.000 2.047 365 E HA -0.236 4.115 4.350 0.002 0.000 0.191 365 E C 1.444 177.963 176.600 -0.136 0.000 0.987 365 E CA 1.513 57.883 56.400 -0.051 0.000 0.799 365 E CB 0.143 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 -1.436 118.862 120.400 -0.170 0.000 2.249 366 D HA -0.046 4.595 4.640 0.002 0.000 0.205 366 D C 0.805 176.715 176.300 -0.651 0.000 0.962 366 D CA 1.013 54.762 54.000 -0.418 0.000 0.860 366 D CB 0.173 40.639 40.800 -0.556 0.000 0.955 366 D HN 0.340 nan 8.370 nan 0.000 0.505 367 Y N -0.215 119.957 120.300 -0.213 0.000 3.105 367 Y HA 0.386 4.937 4.550 0.002 0.000 0.216 367 Y C 2.229 177.859 175.900 -0.450 0.000 0.943 367 Y CA 0.025 57.970 58.100 -0.259 0.000 1.535 367 Y CB -0.761 37.620 38.460 -0.132 0.000 1.475 367 Y HN -0.152 nan 8.280 nan 0.000 0.435 368 A N 0.891 123.362 122.820 -0.582 0.000 1.903 368 A HA -0.273 4.048 4.320 0.002 0.000 0.219 368 A C 2.273 179.752 177.584 -0.174 0.000 1.191 368 A CA 2.980 54.729 52.037 -0.479 0.000 0.638 368 A CB -1.311 17.169 19.000 -0.867 0.000 0.823 368 A HN 0.536 nan 8.150 nan 0.000 0.451 369 S N -0.737 114.838 115.700 -0.208 0.000 2.447 369 S HA -0.105 4.366 4.470 0.002 0.000 0.233 369 S C 1.757 176.265 174.600 -0.154 0.000 1.006 369 S CA 0.818 58.941 58.200 -0.128 0.000 0.957 369 S CB -0.349 62.785 63.200 -0.111 0.000 0.773 369 S HN 0.541 nan 8.310 nan 0.000 0.507 370 R N 1.712 122.032 120.500 -0.301 0.000 2.237 370 R HA 0.143 4.484 4.340 0.002 0.000 0.219 370 R C 1.807 177.984 176.300 -0.205 0.000 1.080 370 R CA 1.130 56.993 56.100 -0.395 0.000 0.995 370 R CB -0.890 28.779 30.300 -1.052 0.000 0.875 370 R HN 0.826 nan 8.270 nan 0.000 0.462 371 I N -2.721 117.799 120.570 -0.082 0.000 4.050 371 I HA 0.265 4.436 4.170 0.002 0.000 0.327 371 I C -0.941 175.221 176.117 0.075 0.000 1.473 371 I CA -0.318 61.017 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 1.576 122.001 120.400 0.041 0.000 2.870 372 D HA -0.268 4.373 4.640 0.002 0.000 0.228 372 D C -0.273 176.076 176.300 0.082 0.000 1.147 372 D CA 0.876 54.900 54.000 0.040 0.000 0.757 372 D CB -1.576 39.236 40.800 0.021 0.000 1.091 372 D HN 0.541 nan 8.370 nan 0.000 0.429 373 F N 1.621 121.567 119.950 -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 -0.358 nan 8.300 nan 0.000 0.521 374 K N 6.670 126.750 120.400 -0.534 0.000 2.167 374 K HA 0.328 4.649 4.320 0.002 0.000 0.275 374 K C -0.225 176.175 176.600 -0.333 0.000 1.103 374 K CA -0.044 56.044 56.287 -0.332 0.000 0.963 374 K CB 0.180 32.532 32.500 -0.246 0.000 1.243 374 K HN 0.621 nan 8.250 nan 0.000 0.407 375 A N 2.478 125.318 122.820 0.033 0.000 2.310 375 A HA 0.211 4.532 4.320 0.002 0.000 0.299 375 A C -0.308 177.392 177.584 0.194 0.000 1.147 375 A CA -0.596 51.619 52.037 0.297 0.000 0.818 375 A CB 0.494 19.855 19.000 0.602 0.000 1.096 375 A HN 0.518 nan 8.150 nan 0.000 0.495 376 D N 1.937 122.453 120.400 0.193 0.000 2.454 376 D HA 0.161 4.802 4.640 0.002 0.000 0.225 376 D C 1.493 177.903 176.300 0.183 0.000 1.081 376 D CA -0.484 53.605 54.000 0.148 0.000 0.864 376 D CB 0.700 41.563 40.800 0.105 0.000 1.040 376 D HN 0.635 nan 8.370 nan 0.000 0.517 377 R N 2.820 123.447 120.500 0.211 0.000 2.103 377 R HA -0.157 4.184 4.340 0.002 0.000 0.242 377 R C 0.512 176.917 176.300 0.176 0.000 1.142 377 R CA 1.131 57.371 56.100 0.233 0.000 0.960 377 R CB -0.216 30.282 30.300 0.330 0.000 0.858 377 R HN 0.253 nan 8.270 nan 0.000 0.439 378 D N 0.788 121.323 120.400 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 1.320 55.442 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 0.598 120.451 119.800 0.089 0.000 2.096 379 Q HA -0.156 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 1.136 56.977 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 -0.110 120.486 120.570 0.044 0.000 2.163 380 I HA -0.257 3.914 4.170 0.002 0.000 0.240 380 I C 2.302 178.377 176.117 -0.071 0.000 1.081 380 I CA 0.835 62.138 61.300 0.006 0.000 1.353 380 I CB -0.273 37.748 38.000 0.036 0.000 1.054 380 I HN 0.096 nan 8.210 nan 0.000 0.407 381 V N 0.950 120.772 119.914 -0.153 0.000 2.295 381 V HA -0.261 3.860 4.120 0.002 0.000 0.246 381 V C 2.540 178.557 176.094 -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 2.057 382 K HA -0.075 4.246 4.320 0.002 0.000 0.207 382 K C 2.267 178.859 176.600 -0.013 0.000 1.049 382 K CA 1.659 57.939 56.287 -0.012 0.000 0.931 382 K CB -1.115 31.399 32.500 0.023 0.000 0.714 382 K HN 0.484 nan 8.250 nan 0.000 0.440 383 A N 0.957 123.769 122.820 -0.013 0.000 1.933 383 A HA -0.117 4.205 4.320 0.002 0.000 0.218 383 A C 2.512 180.086 177.584 -0.016 0.000 1.175 383 A CA 1.665 53.699 52.037 -0.005 0.000 0.628 383 A CB -0.572 18.431 19.000 0.005 0.000 0.814 383 A HN 0.071 nan 8.150 nan 0.000 0.444 384 V N -0.098 119.790 119.914 -0.043 0.000 2.323 384 V HA -0.176 3.945 4.120 0.002 0.000 0.244 384 V C 2.410 178.481 176.094 -0.039 0.000 1.041 384 V CA 1.609 63.877 62.300 -0.053 0.000 1.025 384 V CB -0.711 31.042 31.823 -0.117 0.000 0.656 384 V HN 0.562 nan 8.190 nan 0.000 0.451 385 L N 0.479 121.674 121.223 -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 1.025 55.847 54.840 -0.030 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 0.077 122.897 122.820 -0.001 0.000 2.121 386 A HA -0.059 4.262 4.320 0.002 0.000 0.218 386 A C 2.169 179.762 177.584 0.015 0.000 1.154 386 A CA 1.413 53.455 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 -1.611 107.201 108.800 0.020 0.000 3.042 387 G HA2 0.297 4.258 3.960 0.002 0.000 0.212 387 G HA3 0.297 4.258 3.960 0.002 0.000 0.212 387 G C 1.061 175.988 174.900 0.045 0.000 1.166 387 G CA 0.556 45.675 45.100 0.032 0.000 0.767 387 G HN 0.361 nan 8.290 nan 0.000 0.546 388 L N -0.823 120.425 121.223 0.041 0.000 2.276 388 L HA 0.545 4.886 4.340 0.002 0.000 0.194 388 L C 0.537 177.429 176.870 0.036 0.000 1.099 388 L CA 1.311 56.183 54.840 0.053 0.000 0.800 388 L CB 0.236 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