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 3dhu_1_C DATA FIRST_RESID 6 DATA SEQUENCE QTQLRNEMIY SVFVRNYSEA GNFAGVTADL QRIKDLGTDI LWLLPINPIG DATA SEQUENCE EVNRKGTLGS PYAIKDYRGI NPEYGTLADF KALTDRAHEL GMKVMLDIVY DATA SEQUENCE NHTSPDSVLA TEHPEWFYHD ADGQLTNKVG DWSDVKDLDY GHHELWQYQI DATA SEQUENCE DTLLYWSQFV DGYRCDVAPL VPLDFWLEAR KQVNAKYPET LWLAESAGSG DATA SEQUENCE FIEELRSQGY TGLSDSELYQ AFDMTYDYDV FGDFKDYWQG RSTVERYVDL DATA SEQUENCE LQRQDATFPG NYVKMRFLEN HDNARMMSLM HSKAEAVNNL TWIFMQRGIP DATA SEQUENCE LIYNGQEFLA EHQPSLFDRD TMVADRHGDV TPLIQKLVTI KQLPLLRAAD DATA SEQUENCE YQLAVVEEGI VKITYRAAGE ALTAWIPLKG QVTAVATKLA AGSYQNLLTD DATA SEQUENCE GPTEVVDGKL TVDGQPVLIK YV 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 6 Q C 0.000 175.958 176.000 -0.071 0.000 1.003 6 Q CA 0.000 55.780 55.803 -0.038 0.000 1.022 6 Q CB 0.000 28.721 28.738 -0.029 0.000 1.108 7 T N -0.493 114.012 114.554 -0.082 0.000 3.051 7 T HA -0.072 4.278 4.350 0.001 0.000 0.269 7 T C 1.735 176.370 174.700 -0.108 0.000 1.127 7 T CA 1.440 63.473 62.100 -0.113 0.000 1.107 7 T CB -0.162 68.643 68.868 -0.104 0.000 0.898 7 T HN 0.614 nan 8.240 nan 0.000 0.517 8 Q N 0.613 120.363 119.800 -0.083 0.000 2.197 8 Q HA -0.007 4.333 4.340 0.001 0.000 0.207 8 Q C 2.171 178.116 176.000 -0.092 0.000 0.984 8 Q CA 1.443 57.198 55.803 -0.079 0.000 0.869 8 Q CB -0.599 28.104 28.738 -0.059 0.000 0.906 8 Q HN 0.554 nan 8.270 nan 0.000 0.426 9 L N 0.057 121.222 121.223 -0.098 0.000 2.265 9 L HA -0.177 4.164 4.340 0.001 0.000 0.215 9 L C 2.062 178.845 176.870 -0.146 0.000 1.117 9 L CA 0.983 55.758 54.840 -0.109 0.000 0.782 9 L CB -0.240 41.759 42.059 -0.101 0.000 0.914 9 L HN 0.136 nan 8.230 nan 0.000 0.441 10 R N -0.061 120.339 120.500 -0.167 0.000 2.316 10 R HA -0.074 4.267 4.340 0.001 0.000 0.202 10 R C 1.112 177.305 176.300 -0.178 0.000 1.029 10 R CA 0.774 56.754 56.100 -0.200 0.000 1.018 10 R CB -0.350 29.814 30.300 -0.227 0.000 0.888 10 R HN 0.491 nan 8.270 nan 0.000 0.471 11 N N 0.124 118.741 118.700 -0.138 0.000 2.270 11 N HA 0.018 4.759 4.740 0.001 0.000 0.198 11 N C -0.417 175.046 175.510 -0.077 0.000 1.117 11 N CA 0.080 53.066 53.050 -0.107 0.000 0.845 11 N CB 0.523 38.957 38.487 -0.088 0.000 0.980 11 N HN 0.214 nan 8.380 nan 0.000 0.486 12 E N 0.043 120.183 120.200 -0.100 0.000 2.334 12 E HA 0.444 4.795 4.350 0.001 0.000 0.256 12 E C -0.797 175.733 176.600 -0.116 0.000 0.958 12 E CA -0.823 55.529 56.400 -0.080 0.000 0.821 12 E CB 1.858 31.512 29.700 -0.077 0.000 1.269 12 E HN -0.085 nan 8.360 nan 0.000 0.413 13 M N 1.603 121.154 119.600 -0.081 0.000 2.484 13 M HA 0.455 4.936 4.480 0.001 0.000 0.289 13 M C -2.098 174.180 176.300 -0.037 0.000 1.206 13 M CA -0.541 54.694 55.300 -0.110 0.000 0.892 13 M CB 1.740 34.327 32.600 -0.021 0.000 1.712 13 M HN 0.570 nan 8.290 nan 0.000 0.462 14 I N 3.513 124.065 120.570 -0.030 0.000 2.433 14 I HA 0.329 4.500 4.170 0.001 0.000 0.292 14 I C -1.582 174.628 176.117 0.154 0.000 1.001 14 I CA -0.851 60.484 61.300 0.060 0.000 1.119 14 I CB 1.844 39.867 38.000 0.039 0.000 1.289 14 I HN 0.609 nan 8.210 nan 0.000 0.438 15 Y N 5.263 125.585 120.300 0.038 0.000 2.331 15 Y HA 0.415 4.966 4.550 0.001 0.000 0.338 15 Y C 0.165 176.072 175.900 0.012 0.000 0.992 15 Y CA -0.379 57.735 58.100 0.023 0.000 1.121 15 Y CB 1.712 40.167 38.460 -0.009 0.000 1.184 15 Y HN 0.553 nan 8.280 nan 0.000 0.469 16 S N 5.413 120.891 115.700 -0.370 0.000 2.457 16 S HA 0.702 5.173 4.470 0.001 0.000 0.289 16 S C -1.445 172.816 174.600 -0.566 0.000 1.163 16 S CA -0.506 57.397 58.200 -0.495 0.000 1.078 16 S CB 0.281 63.127 63.200 -0.591 0.000 0.987 16 S HN 0.489 nan 8.310 nan 0.000 0.482 17 V N 6.154 125.778 119.914 -0.483 0.000 2.448 17 V HA 0.483 4.603 4.120 0.001 0.000 0.295 17 V C -0.766 175.214 176.094 -0.189 0.000 1.025 17 V CA -0.822 61.286 62.300 -0.321 0.000 0.859 17 V CB 1.395 33.029 31.823 -0.315 0.000 0.988 17 V HN 0.885 nan 8.190 nan 0.000 0.431 18 F N 5.497 125.325 119.950 -0.202 0.000 2.309 18 F HA 0.423 4.951 4.527 0.001 0.000 0.366 18 F C 1.025 176.757 175.800 -0.114 0.000 1.104 18 F CA -0.701 57.228 58.000 -0.119 0.000 1.179 18 F CB 0.759 39.755 39.000 -0.006 0.000 1.437 18 F HN 0.299 nan 8.300 nan 0.000 0.528 19 V N 5.884 125.842 119.914 0.073 0.000 2.282 19 V HA -0.329 3.792 4.120 0.001 0.000 0.249 19 V C 2.734 178.668 176.094 -0.265 0.000 1.057 19 V CA 2.427 64.528 62.300 -0.330 0.000 1.032 19 V CB -0.716 30.492 31.823 -1.024 0.000 0.645 19 V HN 0.745 nan 8.190 nan 0.000 0.447 20 R N 0.431 120.874 120.500 -0.094 0.000 2.119 20 R HA -0.226 4.115 4.340 0.001 0.000 0.246 20 R C 1.699 177.857 176.300 -0.237 0.000 1.146 20 R CA 2.292 58.379 56.100 -0.022 0.000 0.962 20 R CB -0.202 30.095 30.300 -0.005 0.000 0.863 20 R HN 0.550 nan 8.270 nan 0.000 0.442 21 N N -0.869 117.567 118.700 -0.440 0.000 2.220 21 N HA -0.061 4.680 4.740 0.001 0.000 0.195 21 N C 0.881 176.306 175.510 -0.142 0.000 1.123 21 N CA 0.162 53.009 53.050 -0.338 0.000 0.874 21 N CB 0.059 38.229 38.487 -0.529 0.000 0.995 21 N HN 0.272 nan 8.380 nan 0.000 0.498 22 Y N 2.013 122.205 120.300 -0.179 0.000 2.242 22 Y HA -0.078 4.473 4.550 0.001 0.000 0.291 22 Y C 0.953 176.815 175.900 -0.065 0.000 1.137 22 Y CA 0.826 58.866 58.100 -0.100 0.000 1.181 22 Y CB 0.225 38.640 38.460 -0.075 0.000 0.989 22 Y HN -0.014 nan 8.280 nan 0.000 0.527 23 S N -1.753 113.929 115.700 -0.030 0.000 2.661 23 S HA 0.303 4.774 4.470 0.001 0.000 0.285 23 S C 0.452 175.017 174.600 -0.058 0.000 1.138 23 S CA -0.509 57.648 58.200 -0.073 0.000 0.855 23 S CB 1.672 64.903 63.200 0.051 0.000 1.136 23 S HN 0.096 nan 8.310 nan 0.000 0.484 24 E N 1.210 121.374 120.200 -0.059 0.000 2.072 24 E HA 0.065 4.416 4.350 0.001 0.000 0.191 24 E C 2.099 178.682 176.600 -0.028 0.000 0.985 24 E CA 1.915 58.286 56.400 -0.048 0.000 0.801 24 E CB -0.838 28.833 29.700 -0.048 0.000 0.750 24 E HN 0.781 nan 8.360 nan 0.000 0.452 25 A N 0.105 122.917 122.820 -0.014 0.000 1.917 25 A HA -0.042 4.278 4.320 0.001 0.000 0.219 25 A C 2.031 179.614 177.584 -0.001 0.000 1.182 25 A CA 1.900 53.936 52.037 -0.001 0.000 0.633 25 A CB -1.260 17.747 19.000 0.012 0.000 0.819 25 A HN 0.661 nan 8.150 nan 0.000 0.448 26 G N -0.633 108.162 108.800 -0.009 0.000 2.221 26 G HA2 -0.258 3.702 3.960 0.001 0.000 0.265 26 G HA3 -0.258 3.702 3.960 0.001 0.000 0.265 26 G C -0.185 174.701 174.900 -0.024 0.000 1.041 26 G CA 0.888 45.978 45.100 -0.017 0.000 0.807 26 G HN 1.332 nan 8.290 nan 0.000 0.502 27 N N -1.932 116.724 118.700 -0.074 0.000 2.831 27 N HA 0.696 5.437 4.740 0.001 0.000 0.276 27 N C 0.632 176.040 175.510 -0.169 0.000 1.416 27 N CA -1.457 51.505 53.050 -0.148 0.000 0.799 27 N CB 0.073 38.541 38.487 -0.032 0.000 1.554 27 N HN -0.154 nan 8.380 nan 0.000 0.541 28 F N 0.148 120.084 119.950 -0.024 0.000 2.095 28 F HA 0.006 4.534 4.527 0.001 0.000 0.298 28 F C 2.534 178.315 175.800 -0.031 0.000 1.104 28 F CA 1.955 59.932 58.000 -0.039 0.000 1.232 28 F CB -1.216 37.817 39.000 0.055 0.000 0.987 28 F HN 0.730 nan 8.300 nan 0.000 0.475 29 A N 0.210 123.140 122.820 0.184 0.000 2.019 29 A HA -0.052 4.269 4.320 0.001 0.000 0.219 29 A C 2.583 180.214 177.584 0.078 0.000 1.164 29 A CA 1.666 53.767 52.037 0.107 0.000 0.644 29 A CB -1.577 17.475 19.000 0.087 0.000 0.805 29 A HN 0.418 nan 8.150 nan 0.000 0.449 30 G N -0.713 108.132 108.800 0.076 0.000 2.422 30 G HA2 -0.052 3.909 3.960 0.001 0.000 0.218 30 G HA3 -0.052 3.909 3.960 0.001 0.000 0.218 30 G C 1.437 176.433 174.900 0.161 0.000 1.140 30 G CA 1.235 46.396 45.100 0.102 0.000 0.775 30 G HN 0.330 nan 8.290 nan 0.000 0.545 31 V N 0.812 120.773 119.914 0.079 0.000 2.302 31 V HA -0.127 3.994 4.120 0.001 0.000 0.243 31 V C 3.094 179.176 176.094 -0.019 0.000 1.036 31 V CA 2.222 64.492 62.300 -0.050 0.000 1.020 31 V CB -1.046 30.662 31.823 -0.192 0.000 0.657 31 V HN 0.348 nan 8.190 nan 0.000 0.453 32 T N 1.105 115.658 114.554 -0.001 0.000 2.699 32 T HA -0.250 4.101 4.350 0.001 0.000 0.268 32 T C 1.972 176.672 174.700 0.000 0.000 1.036 32 T CA 1.848 63.935 62.100 -0.021 0.000 1.147 32 T CB -0.534 68.325 68.868 -0.015 0.000 0.862 32 T HN 0.560 nan 8.240 nan 0.000 0.446 33 A N 0.780 123.619 122.820 0.032 0.000 2.125 33 A HA -0.072 4.249 4.320 0.001 0.000 0.219 33 A C 1.839 179.450 177.584 0.046 0.000 1.156 33 A CA 1.536 53.594 52.037 0.035 0.000 0.671 33 A CB -0.295 18.731 19.000 0.043 0.000 0.794 33 A HN 0.424 nan 8.150 nan 0.000 0.459 34 D N -1.514 118.930 120.400 0.072 0.000 2.479 34 D HA 0.250 4.891 4.640 0.001 0.000 0.218 34 D C 1.312 177.639 176.300 0.045 0.000 1.177 34 D CA -0.150 53.910 54.000 0.101 0.000 0.830 34 D CB -0.097 40.854 40.800 0.252 0.000 1.014 34 D HN 0.320 nan 8.370 nan 0.000 0.503 35 L N 0.096 121.315 121.223 -0.008 0.000 2.131 35 L HA -0.157 4.183 4.340 0.001 0.000 0.210 35 L C 2.241 179.082 176.870 -0.048 0.000 1.092 35 L CA 0.978 55.788 54.840 -0.050 0.000 0.759 35 L CB -0.141 41.876 42.059 -0.071 0.000 0.903 35 L HN 0.128 nan 8.230 nan 0.000 0.435 36 Q N 0.442 120.226 119.800 -0.027 0.000 2.084 36 Q HA -0.227 4.114 4.340 0.001 0.000 0.202 36 Q C 2.255 178.236 176.000 -0.032 0.000 0.978 36 Q CA 1.590 57.377 55.803 -0.027 0.000 0.844 36 Q CB -0.140 28.589 28.738 -0.015 0.000 0.898 36 Q HN 0.251 nan 8.270 nan 0.000 0.426 37 R N -0.357 120.133 120.500 -0.017 0.000 2.081 37 R HA -0.088 4.253 4.340 0.001 0.000 0.235 37 R C 2.179 178.424 176.300 -0.093 0.000 1.131 37 R CA 1.516 57.605 56.100 -0.018 0.000 0.960 37 R CB -0.324 30.000 30.300 0.039 0.000 0.856 37 R HN 0.392 nan 8.270 nan 0.000 0.436 38 I N 1.161 121.648 120.570 -0.138 0.000 2.179 38 I HA -0.302 3.868 4.170 0.001 0.000 0.242 38 I C 2.475 178.466 176.117 -0.210 0.000 1.088 38 I CA 1.228 62.349 61.300 -0.297 0.000 1.357 38 I CB -0.316 37.520 38.000 -0.274 0.000 1.051 38 I HN 0.136 nan 8.210 nan 0.000 0.409 39 K N 1.531 121.858 120.400 -0.122 0.000 1.991 39 K HA -0.223 4.098 4.320 0.001 0.000 0.212 39 K C 1.550 178.107 176.600 -0.071 0.000 1.049 39 K CA 2.020 58.258 56.287 -0.082 0.000 0.932 39 K CB -0.718 31.748 32.500 -0.057 0.000 0.717 39 K HN 0.170 nan 8.250 nan 0.000 0.441 40 D N 0.262 120.624 120.400 -0.063 0.000 2.265 40 D HA -0.145 4.496 4.640 0.001 0.000 0.208 40 D C 1.711 177.977 176.300 -0.057 0.000 0.977 40 D CA 0.772 54.743 54.000 -0.047 0.000 0.871 40 D CB -0.160 40.621 40.800 -0.032 0.000 0.925 40 D HN 0.215 nan 8.370 nan 0.000 0.485 41 L N -0.445 120.721 121.223 -0.095 0.000 2.217 41 L HA 0.118 4.459 4.340 0.001 0.000 0.211 41 L C 1.460 178.298 176.870 -0.054 0.000 1.107 41 L CA 1.669 56.447 54.840 -0.103 0.000 0.783 41 L CB 0.011 41.945 42.059 -0.209 0.000 0.919 41 L HN 0.200 nan 8.230 nan 0.000 0.442 42 G N -1.705 107.068 108.800 -0.046 0.000 2.151 42 G HA2 -0.203 3.758 3.960 0.001 0.000 0.140 42 G HA3 -0.203 3.758 3.960 0.001 0.000 0.140 42 G C 0.323 175.229 174.900 0.010 0.000 1.020 42 G CA 0.063 45.162 45.100 -0.002 0.000 0.688 42 G HN 0.326 nan 8.290 nan 0.000 0.500 43 T N 1.160 115.697 114.554 -0.028 0.000 2.928 43 T HA 0.354 4.705 4.350 0.001 0.000 0.305 43 T C 0.800 175.496 174.700 -0.006 0.000 1.035 43 T CA 0.630 62.725 62.100 -0.008 0.000 1.145 43 T CB 1.416 70.252 68.868 -0.054 0.000 0.963 43 T HN 0.208 nan 8.240 nan 0.000 0.545 44 D N 1.466 121.869 120.400 0.005 0.000 2.525 44 D HA 0.180 4.821 4.640 0.001 0.000 0.248 44 D C 0.468 176.767 176.300 -0.002 0.000 1.000 44 D CA 0.549 54.545 54.000 -0.007 0.000 0.923 44 D CB 0.705 41.494 40.800 -0.019 0.000 1.101 44 D HN 0.422 nan 8.370 nan 0.000 0.493 45 I N 2.199 122.776 120.570 0.013 0.000 2.410 45 I HA 0.168 4.339 4.170 0.001 0.000 0.286 45 I C -0.991 175.170 176.117 0.073 0.000 1.009 45 I CA -0.851 60.461 61.300 0.020 0.000 1.111 45 I CB 2.501 40.500 38.000 -0.002 0.000 1.262 45 I HN -0.155 nan 8.210 nan 0.000 0.443 46 L N 8.001 129.261 121.223 0.061 0.000 2.259 46 L HA 0.396 4.737 4.340 0.001 0.000 0.288 46 L C -1.006 175.942 176.870 0.130 0.000 1.051 46 L CA -0.193 54.700 54.840 0.089 0.000 0.824 46 L CB 0.433 42.501 42.059 0.015 0.000 1.206 46 L HN 0.608 nan 8.230 nan 0.000 0.429 47 W N 7.839 129.119 121.300 -0.032 0.000 2.335 47 W HA 0.565 5.226 4.660 0.001 0.000 0.307 47 W C -1.613 174.876 176.519 -0.050 0.000 1.117 47 W CA -1.530 55.781 57.345 -0.057 0.000 1.228 47 W CB 0.481 29.901 29.460 -0.066 0.000 1.240 47 W HN 0.448 nan 8.180 nan 0.000 0.468 48 L N 7.749 129.012 121.223 0.068 0.000 2.307 48 L HA 0.334 4.675 4.340 0.001 0.000 0.282 48 L C 0.848 177.616 176.870 -0.170 0.000 1.051 48 L CA -1.091 53.668 54.840 -0.134 0.000 0.804 48 L CB 0.677 42.744 42.059 0.013 0.000 1.197 48 L HN 0.278 nan 8.230 nan 0.000 0.431 49 L N 2.740 123.740 121.223 -0.372 0.000 2.483 49 L HA 0.126 4.466 4.340 0.001 0.000 0.277 49 L C -1.913 174.844 176.870 -0.190 0.000 1.248 49 L CA -1.471 53.174 54.840 -0.325 0.000 0.825 49 L CB -0.202 41.497 42.059 -0.600 0.000 1.096 49 L HN 0.304 nan 8.230 nan 0.000 0.512 50 P HA -0.080 nan 4.420 nan 0.000 0.264 50 P C 0.239 177.510 177.300 -0.048 0.000 1.179 50 P CA 0.640 63.589 63.100 -0.251 0.000 0.763 50 P CB 0.283 31.705 31.700 -0.465 0.000 0.806 51 I N -1.397 119.147 120.570 -0.043 0.000 3.936 51 I HA 0.341 4.512 4.170 0.001 0.000 0.330 51 I C -0.232 175.888 176.117 0.006 0.000 1.509 51 I CA -0.367 61.011 61.300 0.130 0.000 1.126 51 I CB -0.171 37.895 38.000 0.109 0.000 1.115 51 I HN 0.077 nan 8.210 nan 0.000 0.424 52 N N 1.757 120.419 118.700 -0.063 0.000 2.443 52 N HA 0.499 5.240 4.740 0.001 0.000 0.293 52 N C -2.760 172.715 175.510 -0.059 0.000 1.159 52 N CA -1.684 51.360 53.050 -0.010 0.000 0.904 52 N CB 0.942 39.460 38.487 0.053 0.000 1.214 52 N HN -0.098 nan 8.380 nan 0.000 0.513 53 P HA 0.035 nan 4.420 nan 0.000 0.265 53 P C -0.732 176.536 177.300 -0.053 0.000 1.193 53 P CA 0.450 63.521 63.100 -0.049 0.000 0.765 53 P CB 0.472 32.169 31.700 -0.006 0.000 0.823 54 I N 2.213 122.744 120.570 -0.066 0.000 2.396 54 I HA 0.299 4.470 4.170 0.001 0.000 0.292 54 I C 1.393 177.497 176.117 -0.022 0.000 0.999 54 I CA -0.347 60.929 61.300 -0.040 0.000 1.310 54 I CB 1.039 39.017 38.000 -0.036 0.000 1.404 54 I HN 0.351 nan 8.210 nan 0.000 0.496 55 G N 3.754 112.549 108.800 -0.008 0.000 2.484 55 G HA2 0.044 4.005 3.960 0.001 0.000 0.235 55 G HA3 0.044 4.005 3.960 0.001 0.000 0.235 55 G C 0.307 175.203 174.900 -0.007 0.000 1.282 55 G CA -0.124 44.970 45.100 -0.009 0.000 0.857 55 G HN 0.841 nan 8.290 nan 0.000 0.571 56 E N -0.047 120.144 120.200 -0.014 0.000 2.244 56 E HA 0.037 4.388 4.350 0.001 0.000 0.196 56 E C 0.803 177.394 176.600 -0.016 0.000 0.939 56 E CA -0.260 56.132 56.400 -0.013 0.000 0.884 56 E CB 0.436 30.126 29.700 -0.016 0.000 0.850 56 E HN 0.260 nan 8.360 nan 0.000 0.481 57 V N 3.686 123.588 119.914 -0.021 0.000 2.529 57 V HA -0.068 4.053 4.120 0.001 0.000 0.292 57 V C 0.159 176.241 176.094 -0.021 0.000 1.028 57 V CA 0.202 62.487 62.300 -0.024 0.000 1.074 57 V CB 0.179 31.982 31.823 -0.034 0.000 0.958 57 V HN 0.445 nan 8.190 nan 0.000 0.481 58 N N 2.232 120.919 118.700 -0.021 0.000 2.741 58 N HA -0.191 4.549 4.740 0.001 0.000 0.250 58 N C 0.492 175.985 175.510 -0.028 0.000 1.115 58 N CA 1.051 54.087 53.050 -0.023 0.000 0.724 58 N CB -0.839 37.638 38.487 -0.017 0.000 1.090 58 N HN 0.835 nan 8.380 nan 0.000 0.558 59 R N 1.473 121.959 120.500 -0.023 0.000 2.570 59 R HA 0.062 4.403 4.340 0.001 0.000 0.277 59 R C -0.031 176.233 176.300 -0.061 0.000 1.039 59 R CA 0.317 56.405 56.100 -0.019 0.000 1.065 59 R CB 0.554 30.853 30.300 -0.002 0.000 0.964 59 R HN 0.027 nan 8.270 nan 0.000 0.428 60 K N 3.133 123.470 120.400 -0.105 0.000 2.201 60 K HA 0.294 4.615 4.320 0.001 0.000 0.278 60 K C 0.236 176.755 176.600 -0.136 0.000 1.027 60 K CA 0.201 56.316 56.287 -0.285 0.000 0.909 60 K CB 1.626 33.662 32.500 -0.773 0.000 1.062 60 K HN 0.956 nan 8.250 nan 0.000 0.465 61 G N 1.456 110.196 108.800 -0.099 0.000 2.692 61 G HA2 -0.363 3.598 3.960 0.001 0.000 0.248 61 G HA3 -0.363 3.598 3.960 0.001 0.000 0.248 61 G C 0.914 175.852 174.900 0.064 0.000 1.340 61 G CA 0.174 45.307 45.100 0.055 0.000 0.896 61 G HN 0.648 nan 8.290 nan 0.000 0.570 62 T N -1.609 112.997 114.554 0.086 0.000 2.770 62 T HA 0.143 4.494 4.350 0.001 0.000 0.263 62 T C 2.432 177.167 174.700 0.058 0.000 1.039 62 T CA 1.807 63.941 62.100 0.058 0.000 1.142 62 T CB -0.076 68.823 68.868 0.051 0.000 0.868 62 T HN 0.551 nan 8.240 nan 0.000 0.435 63 L N 0.472 121.748 121.223 0.088 0.000 2.463 63 L HA 0.422 4.762 4.340 0.001 0.000 0.219 63 L C 1.429 178.354 176.870 0.093 0.000 1.088 63 L CA 0.213 55.094 54.840 0.068 0.000 0.849 63 L CB -0.527 41.568 42.059 0.060 0.000 1.012 63 L HN 0.724 nan 8.230 nan 0.000 0.468 64 G N 0.310 109.209 108.800 0.166 0.000 2.758 64 G HA2 -0.229 3.732 3.960 0.001 0.000 0.686 64 G HA3 -0.229 3.732 3.960 0.001 0.000 0.686 64 G C -0.377 174.694 174.900 0.285 0.000 1.389 64 G CA -0.267 44.955 45.100 0.203 0.000 0.845 64 G HN 0.070 nan 8.290 nan 0.000 0.572 65 S N 0.750 116.660 115.700 0.351 0.000 2.545 65 S HA 0.595 5.066 4.470 0.001 0.000 0.275 65 S C -0.441 174.236 174.600 0.128 0.000 1.299 65 S CA -0.675 57.702 58.200 0.296 0.000 1.048 65 S CB 1.118 64.555 63.200 0.396 0.000 0.938 65 S HN 0.438 nan 8.310 nan 0.000 0.496 66 P HA -0.036 nan 4.420 nan 0.000 0.223 66 P C -0.004 177.105 177.300 -0.318 0.000 1.144 66 P CA 1.092 64.071 63.100 -0.202 0.000 0.783 66 P CB -0.043 31.418 31.700 -0.399 0.000 0.771 67 Y N -0.931 119.371 120.300 0.004 0.000 2.511 67 Y HA 0.293 4.844 4.550 0.001 0.000 0.279 67 Y C 1.351 177.325 175.900 0.124 0.000 1.157 67 Y CA -0.155 57.977 58.100 0.055 0.000 1.300 67 Y CB -0.353 38.116 38.460 0.014 0.000 1.052 67 Y HN -0.171 nan 8.280 nan 0.000 0.529 68 A N 1.287 124.208 122.820 0.168 0.000 2.910 68 A HA 0.446 4.767 4.320 0.001 0.000 0.316 68 A C -0.256 177.368 177.584 0.066 0.000 1.493 68 A CA -0.365 51.749 52.037 0.128 0.000 1.150 68 A CB -1.163 17.891 19.000 0.090 0.000 1.159 68 A HN 0.282 nan 8.150 nan 0.000 0.526 69 I N 1.627 122.231 120.570 0.058 0.000 2.365 69 I HA 0.187 4.358 4.170 0.001 0.000 0.291 69 I C 1.277 177.326 176.117 -0.114 0.000 1.004 69 I CA -0.271 61.000 61.300 -0.047 0.000 1.311 69 I CB 1.823 39.782 38.000 -0.068 0.000 1.401 69 I HN 0.686 nan 8.210 nan 0.000 0.491 70 K N 2.702 123.053 120.400 -0.081 0.000 2.284 70 K HA 0.026 4.346 4.320 0.001 0.000 0.198 70 K C -0.190 176.373 176.600 -0.062 0.000 1.048 70 K CA 0.747 56.995 56.287 -0.065 0.000 0.987 70 K CB 0.432 32.913 32.500 -0.033 0.000 0.800 70 K HN 0.579 nan 8.250 nan 0.000 0.486 71 D N -1.123 119.254 120.400 -0.038 0.000 2.763 71 D HA 0.082 4.723 4.640 0.001 0.000 0.235 71 D C -0.210 176.189 176.300 0.165 0.000 1.334 71 D CA -0.480 53.554 54.000 0.058 0.000 0.950 71 D CB 0.693 41.554 40.800 0.102 0.000 1.433 71 D HN -0.116 nan 8.370 nan 0.000 0.580 72 Y N 2.042 122.527 120.300 0.310 0.000 2.421 72 Y HA 0.067 4.618 4.550 0.001 0.000 0.292 72 Y C 2.002 178.243 175.900 0.568 0.000 1.136 72 Y CA 0.884 59.224 58.100 0.400 0.000 1.255 72 Y CB 0.140 38.892 38.460 0.488 0.000 0.991 72 Y HN 0.297 nan 8.280 nan 0.000 0.552 73 R N -0.485 120.350 120.500 0.558 0.000 2.334 73 R HA 0.228 4.569 4.340 0.001 0.000 0.216 73 R C 0.981 177.465 176.300 0.306 0.000 0.905 73 R CA 0.241 56.548 56.100 0.346 0.000 1.064 73 R CB 0.203 30.491 30.300 -0.020 0.000 1.046 73 R HN 0.166 nan 8.270 nan 0.000 0.508 74 G N 0.197 109.233 108.800 0.392 0.000 2.521 74 G HA2 0.471 4.432 3.960 0.001 0.000 0.323 74 G HA3 0.471 4.432 3.960 0.001 0.000 0.323 74 G C -0.602 174.524 174.900 0.376 0.000 1.211 74 G CA -0.571 44.707 45.100 0.296 0.000 0.979 74 G HN -0.061 nan 8.290 nan 0.000 0.490 75 I N 1.433 122.165 120.570 0.270 0.000 2.354 75 I HA 0.162 4.332 4.170 0.001 0.000 0.292 75 I C -0.144 176.037 176.117 0.108 0.000 0.989 75 I CA -1.075 60.374 61.300 0.249 0.000 1.188 75 I CB 1.327 39.521 38.000 0.323 0.000 1.342 75 I HN 0.388 nan 8.210 nan 0.000 0.457 76 N N 9.821 128.518 118.700 -0.005 0.000 2.374 76 N HA 0.007 4.747 4.740 0.001 0.000 0.269 76 N C -1.534 173.867 175.510 -0.182 0.000 1.310 76 N CA -1.058 51.874 53.050 -0.197 0.000 0.877 76 N CB 0.959 39.115 38.487 -0.552 0.000 1.096 76 N HN 0.326 nan 8.380 nan 0.000 0.484 77 P HA -0.125 nan 4.420 nan 0.000 0.222 77 P C 0.670 177.906 177.300 -0.105 0.000 1.147 77 P CA 1.005 64.067 63.100 -0.063 0.000 0.790 77 P CB 0.314 31.994 31.700 -0.034 0.000 0.780 78 E N -1.226 118.850 120.200 -0.208 0.000 2.233 78 E HA -0.207 4.144 4.350 0.001 0.000 0.199 78 E C 1.095 177.659 176.600 -0.059 0.000 1.004 78 E CA 1.155 57.436 56.400 -0.197 0.000 0.819 78 E CB -0.288 29.171 29.700 -0.403 0.000 0.738 78 E HN 0.386 nan 8.360 nan 0.000 0.478 79 Y N -1.278 118.840 120.300 -0.304 0.000 2.444 79 Y HA 0.295 4.846 4.550 0.001 0.000 0.249 79 Y C 1.238 176.833 175.900 -0.508 0.000 1.134 79 Y CA 0.464 58.183 58.100 -0.636 0.000 1.261 79 Y CB 0.958 38.625 38.460 -1.321 0.000 1.143 79 Y HN 0.070 nan 8.280 nan 0.000 0.523 80 G N 0.169 108.957 108.800 -0.019 0.000 2.358 80 G HA2 -0.041 3.920 3.960 0.001 0.000 0.198 80 G HA3 -0.041 3.920 3.960 0.001 0.000 0.198 80 G C -0.255 174.780 174.900 0.224 0.000 1.220 80 G CA -0.405 44.774 45.100 0.132 0.000 1.187 80 G HN 0.320 nan 8.290 nan 0.000 0.544 81 T N -1.545 113.193 114.554 0.306 0.000 2.927 81 T HA 0.694 5.044 4.350 0.001 0.000 0.286 81 T C 1.554 176.449 174.700 0.325 0.000 1.040 81 T CA 0.127 62.382 62.100 0.258 0.000 1.010 81 T CB 1.781 70.750 68.868 0.168 0.000 1.177 81 T HN 1.129 nan 8.240 nan 0.000 0.546 82 L N 0.615 121.977 121.223 0.232 0.000 2.042 82 L HA -0.064 4.277 4.340 0.001 0.000 0.210 82 L C 2.911 179.844 176.870 0.105 0.000 1.076 82 L CA 2.220 57.169 54.840 0.181 0.000 0.749 82 L CB -1.091 41.044 42.059 0.127 0.000 0.893 82 L HN 0.994 nan 8.230 nan 0.000 0.432 83 A N -0.267 122.611 122.820 0.096 0.000 1.908 83 A HA -0.271 4.049 4.320 0.001 0.000 0.218 83 A C 1.827 179.433 177.584 0.038 0.000 1.181 83 A CA 2.055 54.123 52.037 0.052 0.000 0.627 83 A CB -0.623 18.415 19.000 0.064 0.000 0.818 83 A HN 0.497 nan 8.150 nan 0.000 0.445 84 D N -1.161 119.312 120.400 0.121 0.000 2.117 84 D HA -0.141 4.500 4.640 0.001 0.000 0.197 84 D C 1.610 177.904 176.300 -0.010 0.000 0.987 84 D CA 1.340 55.430 54.000 0.150 0.000 0.829 84 D CB -0.444 40.574 40.800 0.363 0.000 0.961 84 D HN 0.491 nan 8.370 nan 0.000 0.460 85 F N 2.029 121.764 119.950 -0.359 0.000 2.102 85 F HA -0.134 4.394 4.527 0.001 0.000 0.298 85 F C 2.213 177.713 175.800 -0.500 0.000 1.105 85 F CA 1.430 58.893 58.000 -0.895 0.000 1.239 85 F CB -0.155 38.278 39.000 -0.944 0.000 0.991 85 F HN -0.208 nan 8.300 nan 0.000 0.474 86 K N 0.472 120.569 120.400 -0.504 0.000 2.057 86 K HA -0.146 4.175 4.320 0.001 0.000 0.207 86 K C 2.217 178.617 176.600 -0.333 0.000 1.049 86 K CA 1.307 57.317 56.287 -0.461 0.000 0.931 86 K CB -0.499 31.882 32.500 -0.200 0.000 0.714 86 K HN 0.298 nan 8.250 nan 0.000 0.440 87 A N 1.664 124.350 122.820 -0.223 0.000 1.940 87 A HA -0.175 4.146 4.320 0.001 0.000 0.219 87 A C 2.149 179.604 177.584 -0.215 0.000 1.176 87 A CA 1.575 53.519 52.037 -0.154 0.000 0.631 87 A CB -0.675 18.283 19.000 -0.071 0.000 0.814 87 A HN 0.486 nan 8.150 nan 0.000 0.446 88 L N -0.027 121.009 121.223 -0.311 0.000 2.027 88 L HA -0.169 4.172 4.340 0.001 0.000 0.206 88 L C 2.946 179.559 176.870 -0.427 0.000 1.074 88 L CA 2.397 57.042 54.840 -0.326 0.000 0.745 88 L CB -0.573 41.284 42.059 -0.337 0.000 0.898 88 L HN 0.628 nan 8.230 nan 0.000 0.433 89 T N -3.752 110.424 114.554 -0.630 0.000 2.746 89 T HA -0.195 4.156 4.350 0.001 0.000 0.267 89 T C 1.571 175.901 174.700 -0.617 0.000 1.039 89 T CA 1.320 63.003 62.100 -0.694 0.000 1.142 89 T CB -0.575 67.876 68.868 -0.695 0.000 0.866 89 T HN 0.306 nan 8.240 nan 0.000 0.444 90 D N 1.106 121.318 120.400 -0.313 0.000 2.097 90 D HA -0.062 4.579 4.640 0.001 0.000 0.195 90 D C 2.366 178.594 176.300 -0.121 0.000 0.989 90 D CA 1.076 55.006 54.000 -0.117 0.000 0.827 90 D CB -0.375 40.383 40.800 -0.071 0.000 0.966 90 D HN 0.253 nan 8.370 nan 0.000 0.456 91 R N 1.220 121.625 120.500 -0.158 0.000 2.081 91 R HA -0.021 4.320 4.340 0.001 0.000 0.235 91 R C 1.947 178.170 176.300 -0.129 0.000 1.131 91 R CA 1.802 57.832 56.100 -0.117 0.000 0.960 91 R CB -0.935 29.299 30.300 -0.110 0.000 0.856 91 R HN 0.091 nan 8.270 nan 0.000 0.436 92 A N -0.622 122.065 122.820 -0.222 0.000 1.933 92 A HA -0.173 4.148 4.320 0.001 0.000 0.218 92 A C 1.993 179.499 177.584 -0.130 0.000 1.175 92 A CA 1.810 53.719 52.037 -0.213 0.000 0.628 92 A CB -0.790 18.018 19.000 -0.320 0.000 0.814 92 A HN 0.671 nan 8.150 nan 0.000 0.444 93 H N -1.331 117.689 119.070 -0.083 0.000 2.395 93 H HA 0.074 4.630 4.556 0.001 0.000 0.299 93 H C 2.582 177.879 175.328 -0.053 0.000 1.070 93 H CA 1.162 57.169 56.048 -0.067 0.000 1.356 93 H CB 0.087 29.808 29.762 -0.068 0.000 1.401 93 H HN 0.651 nan 8.280 nan 0.000 0.524 94 E N 1.660 121.895 120.200 0.059 0.000 2.085 94 E HA -0.144 4.207 4.350 0.001 0.000 0.194 94 E C 1.877 178.479 176.600 0.004 0.000 0.994 94 E CA 1.348 57.758 56.400 0.018 0.000 0.801 94 E CB -0.916 28.781 29.700 -0.005 0.000 0.743 94 E HN 0.459 nan 8.360 nan 0.000 0.453 95 L N -0.727 120.490 121.223 -0.009 0.000 2.610 95 L HA 0.292 4.633 4.340 0.001 0.000 0.232 95 L C 1.895 178.760 176.870 -0.008 0.000 1.149 95 L CA 0.465 55.295 54.840 -0.017 0.000 0.872 95 L CB 0.056 42.095 42.059 -0.034 0.000 0.992 95 L HN 0.558 nan 8.230 nan 0.000 0.447 96 G N 0.071 108.878 108.800 0.012 0.000 2.160 96 G HA2 -0.291 3.670 3.960 0.001 0.000 0.244 96 G HA3 -0.291 3.670 3.960 0.001 0.000 0.244 96 G C 0.087 174.995 174.900 0.014 0.000 1.022 96 G CA 0.012 45.120 45.100 0.013 0.000 0.741 96 G HN 0.255 nan 8.290 nan 0.000 0.508 97 M N -0.493 119.122 119.600 0.025 0.000 2.537 97 M HA 0.488 4.969 4.480 0.001 0.000 0.324 97 M C 0.528 176.870 176.300 0.070 0.000 1.187 97 M CA -0.566 54.743 55.300 0.015 0.000 0.993 97 M CB 1.594 34.180 32.600 -0.024 0.000 1.666 97 M HN 0.037 nan 8.290 nan 0.000 0.461 98 K N 1.107 121.529 120.400 0.038 0.000 2.110 98 K HA 0.603 4.924 4.320 0.001 0.000 0.263 98 K C -1.268 175.335 176.600 0.005 0.000 0.975 98 K CA -0.679 55.639 56.287 0.051 0.000 0.895 98 K CB 1.802 34.298 32.500 -0.008 0.000 1.060 98 K HN 0.373 nan 8.250 nan 0.000 0.448 99 V N 3.694 123.610 119.914 0.002 0.000 2.435 99 V HA 0.400 4.520 4.120 0.001 0.000 0.290 99 V C -0.265 175.785 176.094 -0.074 0.000 1.030 99 V CA -0.779 61.491 62.300 -0.050 0.000 0.881 99 V CB 1.386 33.136 31.823 -0.122 0.000 0.983 99 V HN 0.780 nan 8.190 nan 0.000 0.445 100 M N 5.868 125.447 119.600 -0.035 0.000 2.321 100 M HA 0.639 5.120 4.480 0.001 0.000 0.315 100 M C -1.799 174.515 176.300 0.022 0.000 1.052 100 M CA -0.463 54.769 55.300 -0.114 0.000 0.936 100 M CB 1.654 34.193 32.600 -0.102 0.000 1.639 100 M HN 0.521 nan 8.290 nan 0.000 0.433 101 L N 2.329 123.512 121.223 -0.067 0.000 2.352 101 L HA 0.511 4.852 4.340 0.001 0.000 0.269 101 L C -0.252 176.674 176.870 0.094 0.000 1.034 101 L CA -0.938 53.939 54.840 0.060 0.000 0.806 101 L CB 1.428 43.480 42.059 -0.012 0.000 1.244 101 L HN 0.646 nan 8.230 nan 0.000 0.447 102 D N 2.066 122.535 120.400 0.116 0.000 2.313 102 D HA 0.281 4.922 4.640 0.001 0.000 0.239 102 D C -0.764 175.527 176.300 -0.015 0.000 1.142 102 D CA -0.296 53.772 54.000 0.113 0.000 0.847 102 D CB 1.186 42.113 40.800 0.212 0.000 1.082 102 D HN 0.078 nan 8.370 nan 0.000 0.480 103 I N 4.226 124.756 120.570 -0.066 0.000 2.354 103 I HA 0.149 4.319 4.170 0.001 0.000 0.292 103 I C 0.243 176.301 176.117 -0.099 0.000 0.989 103 I CA -0.842 60.312 61.300 -0.243 0.000 1.188 103 I CB 1.564 39.283 38.000 -0.468 0.000 1.342 103 I HN 0.103 nan 8.210 nan 0.000 0.457 104 V N 7.796 127.723 119.914 0.022 0.000 2.233 104 V HA 0.176 4.296 4.120 0.001 0.000 0.261 104 V C 0.142 176.436 176.094 0.332 0.000 1.076 104 V CA -0.385 62.023 62.300 0.181 0.000 1.001 104 V CB -0.032 31.950 31.823 0.265 0.000 1.206 104 V HN 0.542 nan 8.190 nan 0.000 0.468 105 Y N 1.173 121.507 120.300 0.057 0.000 2.466 105 Y HA 0.134 4.685 4.550 0.001 0.000 0.272 105 Y C 2.030 177.956 175.900 0.042 0.000 1.169 105 Y CA -0.299 57.803 58.100 0.003 0.000 1.285 105 Y CB -0.457 37.949 38.460 -0.090 0.000 1.078 105 Y HN 0.563 nan 8.280 nan 0.000 0.523 106 N N 0.295 119.063 118.700 0.112 0.000 2.250 106 N HA -0.087 4.653 4.740 0.001 0.000 0.181 106 N C 0.139 175.784 175.510 0.226 0.000 1.017 106 N CA 0.850 53.987 53.050 0.145 0.000 0.866 106 N CB 0.227 38.808 38.487 0.156 0.000 0.985 106 N HN 0.388 nan 8.380 nan 0.000 0.429 107 H N -3.954 115.309 119.070 0.321 0.000 3.042 107 H HA 0.415 4.972 4.556 0.002 0.000 0.346 107 H C -1.183 174.337 175.328 0.319 0.000 1.294 107 H CA -0.778 55.453 56.048 0.306 0.000 1.141 107 H CB 1.005 30.948 29.762 0.302 0.000 1.872 107 H HN 0.066 nan 8.280 nan 0.000 0.541 108 T N -1.270 113.590 114.554 0.510 0.000 2.888 108 T HA 0.441 4.792 4.350 0.001 0.000 0.288 108 T C 0.259 175.104 174.700 0.241 0.000 1.063 108 T CA -0.357 61.928 62.100 0.309 0.000 1.010 108 T CB 1.399 70.405 68.868 0.229 0.000 1.214 108 T HN 0.847 nan 8.240 nan 0.000 0.533 109 S N 0.552 116.316 115.700 0.105 0.000 2.584 109 S HA 0.275 4.746 4.470 0.001 0.000 0.270 109 S C -1.831 172.770 174.600 0.001 0.000 1.346 109 S CA -0.788 57.442 58.200 0.049 0.000 1.018 109 S CB 0.076 63.283 63.200 0.011 0.000 0.899 109 S HN 0.615 nan 8.310 nan 0.000 0.542 110 P HA 0.038 nan 4.420 nan 0.000 0.229 110 P C 0.193 177.413 177.300 -0.133 0.000 1.160 110 P CA 0.856 63.889 63.100 -0.111 0.000 0.777 110 P CB -0.180 31.474 31.700 -0.076 0.000 0.814 111 D N -1.614 118.735 120.400 -0.085 0.000 2.463 111 D HA 0.030 4.671 4.640 0.001 0.000 0.224 111 D C 0.264 176.522 176.300 -0.071 0.000 1.174 111 D CA -0.270 53.682 54.000 -0.080 0.000 0.829 111 D CB -0.691 40.075 40.800 -0.056 0.000 0.993 111 D HN 0.055 nan 8.370 nan 0.000 0.497 112 S N -0.901 114.756 115.700 -0.071 0.000 2.608 112 S HA 0.149 4.620 4.470 0.001 0.000 0.261 112 S C 1.559 176.137 174.600 -0.036 0.000 1.314 112 S CA -0.576 57.598 58.200 -0.044 0.000 0.992 112 S CB 1.456 64.644 63.200 -0.020 0.000 0.935 112 S HN -0.080 nan 8.310 nan 0.000 0.564 113 V N 1.659 121.568 119.914 -0.008 0.000 2.255 113 V HA -0.190 3.930 4.120 0.001 0.000 0.247 113 V C 2.453 178.540 176.094 -0.012 0.000 1.051 113 V CA 2.101 64.405 62.300 0.006 0.000 1.018 113 V CB -1.133 30.735 31.823 0.075 0.000 0.641 113 V HN 0.814 nan 8.190 nan 0.000 0.445 114 L N -0.120 121.126 121.223 0.039 0.000 2.083 114 L HA -0.149 4.191 4.340 0.001 0.000 0.209 114 L C 2.646 179.630 176.870 0.190 0.000 1.083 114 L CA 1.502 56.404 54.840 0.103 0.000 0.752 114 L CB -0.724 41.441 42.059 0.177 0.000 0.899 114 L HN 0.387 nan 8.230 nan 0.000 0.433 115 A N -0.314 122.526 122.820 0.032 0.000 2.014 115 A HA -0.174 4.147 4.320 0.001 0.000 0.218 115 A C 2.406 179.843 177.584 -0.245 0.000 1.163 115 A CA 1.953 53.754 52.037 -0.394 0.000 0.652 115 A CB -0.624 17.997 19.000 -0.631 0.000 0.808 115 A HN 0.515 nan 8.150 nan 0.000 0.449 116 T N -2.932 111.523 114.554 -0.164 0.000 2.976 116 T HA 0.055 4.406 4.350 0.001 0.000 0.257 116 T C 1.582 176.161 174.700 -0.201 0.000 1.051 116 T CA 1.252 63.257 62.100 -0.158 0.000 1.141 116 T CB -0.146 68.651 68.868 -0.118 0.000 0.881 116 T HN 0.515 nan 8.240 nan 0.000 0.461 117 E N 0.042 120.093 120.200 -0.248 0.000 2.190 117 E HA 0.069 4.420 4.350 0.001 0.000 0.191 117 E C 0.138 176.269 176.600 -0.782 0.000 0.978 117 E CA 0.528 56.657 56.400 -0.451 0.000 0.839 117 E CB 0.240 29.681 29.700 -0.432 0.000 0.787 117 E HN 0.692 nan 8.360 nan 0.000 0.473 118 H N -0.428 118.422 119.070 -0.367 0.000 2.511 118 H HA 0.114 4.670 4.556 0.001 0.000 0.228 118 H C -1.953 173.219 175.328 -0.261 0.000 1.424 118 H CA -1.382 54.294 56.048 -0.619 0.000 1.321 118 H CB 0.862 29.779 29.762 -1.408 0.000 1.720 118 H HN 0.078 nan 8.280 nan 0.000 0.512 119 P HA -0.221 nan 4.420 nan 0.000 0.219 119 P C 1.320 178.782 177.300 0.270 0.000 1.146 119 P CA 1.194 64.336 63.100 0.070 0.000 0.808 119 P CB 0.537 32.225 31.700 -0.020 0.000 0.779 120 E N -1.273 118.960 120.200 0.055 0.000 2.478 120 E HA -0.146 4.205 4.350 0.001 0.000 0.198 120 E C 0.939 177.457 176.600 -0.138 0.000 1.046 120 E CA 0.571 56.987 56.400 0.027 0.000 0.870 120 E CB -0.880 28.783 29.700 -0.061 0.000 0.818 120 E HN 0.298 nan 8.360 nan 0.000 0.527 121 W N 0.449 121.610 121.300 -0.231 0.000 3.290 121 W HA 0.338 4.998 4.660 0.001 0.000 0.287 121 W C 0.056 176.269 176.519 -0.509 0.000 1.288 121 W CA -0.882 56.151 57.345 -0.520 0.000 1.725 121 W CB -0.646 28.548 29.460 -0.443 0.000 1.103 121 W HN -0.118 nan 8.180 nan 0.000 0.670 122 F N -0.998 118.892 119.950 -0.101 0.000 2.450 122 F HA 0.339 4.867 4.527 0.001 0.000 0.328 122 F C 0.345 175.962 175.800 -0.305 0.000 1.068 122 F CA -1.423 56.449 58.000 -0.212 0.000 1.007 122 F CB 0.411 39.269 39.000 -0.235 0.000 1.251 122 F HN -0.402 nan 8.300 nan 0.000 0.492 123 Y N 0.260 120.580 120.300 0.033 0.000 2.497 123 Y HA 0.215 4.766 4.550 0.002 0.000 0.334 123 Y C -0.176 175.579 175.900 -0.242 0.000 1.199 123 Y CA 0.326 58.433 58.100 0.011 0.000 1.425 123 Y CB 0.011 38.499 38.460 0.048 0.000 1.291 123 Y HN 0.398 nan 8.280 nan 0.000 0.562 124 H N 0.287 119.543 119.070 0.310 0.000 2.717 124 H HA 0.273 4.830 4.556 0.001 0.000 0.366 124 H C -0.616 174.816 175.328 0.173 0.000 1.132 124 H CA -1.172 54.994 56.048 0.198 0.000 1.180 124 H CB 1.158 31.004 29.762 0.141 0.000 1.678 124 H HN 0.592 nan 8.280 nan 0.000 0.537 125 D N 1.103 121.642 120.400 0.232 0.000 2.469 125 D HA 0.234 4.874 4.640 0.001 0.000 0.278 125 D C 1.341 177.727 176.300 0.142 0.000 1.231 125 D CA -0.326 53.771 54.000 0.162 0.000 1.075 125 D CB 0.146 41.013 40.800 0.111 0.000 1.121 125 D HN 0.502 nan 8.370 nan 0.000 0.571 126 A N -0.206 122.674 122.820 0.101 0.000 1.902 126 A HA -0.180 4.141 4.320 0.001 0.000 0.217 126 A C 1.423 179.046 177.584 0.065 0.000 1.181 126 A CA 2.073 54.157 52.037 0.078 0.000 0.623 126 A CB -1.032 18.003 19.000 0.059 0.000 0.818 126 A HN 0.704 nan 8.150 nan 0.000 0.443 127 D N -1.574 118.864 120.400 0.063 0.000 2.338 127 D HA 0.262 4.903 4.640 0.001 0.000 0.239 127 D C 1.131 177.462 176.300 0.051 0.000 1.095 127 D CA 0.761 54.790 54.000 0.047 0.000 0.888 127 D CB -0.940 39.884 40.800 0.040 0.000 0.899 127 D HN 0.767 nan 8.370 nan 0.000 0.525 128 G N -0.202 108.643 108.800 0.074 0.000 2.166 128 G HA2 -0.308 3.653 3.960 0.001 0.000 0.260 128 G HA3 -0.308 3.653 3.960 0.001 0.000 0.260 128 G C 0.042 175.032 174.900 0.150 0.000 0.986 128 G CA 0.040 45.184 45.100 0.072 0.000 0.683 128 G HN 0.394 nan 8.290 nan 0.000 0.527 129 Q N -0.151 119.735 119.800 0.144 0.000 2.288 129 Q HA 0.511 4.852 4.340 0.001 0.000 0.254 129 Q C 1.342 177.435 176.000 0.156 0.000 0.932 129 Q CA -0.477 55.402 55.803 0.128 0.000 0.902 129 Q CB 1.083 29.862 28.738 0.069 0.000 1.203 129 Q HN 0.493 nan 8.270 nan 0.000 0.415 130 L N 1.151 122.426 121.223 0.086 0.000 2.529 130 L HA 0.029 4.370 4.340 0.001 0.000 0.287 130 L C 0.958 177.846 176.870 0.031 0.000 1.241 130 L CA 0.743 55.565 54.840 -0.031 0.000 0.857 130 L CB -0.043 41.946 42.059 -0.116 0.000 1.113 130 L HN 0.604 nan 8.230 nan 0.000 0.504 131 T N 1.739 116.332 114.554 0.064 0.000 2.778 131 T HA 0.479 4.829 4.350 0.001 0.000 0.293 131 T C -1.643 173.115 174.700 0.097 0.000 1.144 131 T CA -0.869 61.276 62.100 0.076 0.000 1.010 131 T CB 1.554 70.465 68.868 0.073 0.000 1.325 131 T HN 0.860 nan 8.240 nan 0.000 0.515 132 N N 0.220 118.949 118.700 0.048 0.000 2.425 132 N HA 0.324 5.065 4.740 0.001 0.000 0.289 132 N C 0.347 175.811 175.510 -0.078 0.000 1.074 132 N CA -0.590 52.482 53.050 0.037 0.000 0.905 132 N CB 1.791 40.348 38.487 0.117 0.000 1.586 132 N HN 0.679 nan 8.380 nan 0.000 0.490 133 K N 0.747 121.020 120.400 -0.211 0.000 2.442 133 K HA 0.041 4.362 4.320 0.001 0.000 0.198 133 K C 0.723 177.205 176.600 -0.197 0.000 1.044 133 K CA 1.273 57.381 56.287 -0.298 0.000 0.948 133 K CB -0.442 31.607 32.500 -0.752 0.000 0.762 133 K HN 0.480 nan 8.250 nan 0.000 0.472 134 V N 0.724 120.472 119.914 -0.277 0.000 2.284 134 V HA 0.387 4.507 4.120 0.001 0.000 0.274 134 V C 1.801 177.721 176.094 -0.290 0.000 1.023 134 V CA -0.606 61.414 62.300 -0.467 0.000 0.808 134 V CB 0.436 31.483 31.823 -1.295 0.000 1.035 134 V HN 0.393 nan 8.190 nan 0.000 0.445 135 G N 2.180 110.883 108.800 -0.162 0.000 2.507 135 G HA2 -0.281 3.680 3.960 0.001 0.000 0.221 135 G HA3 -0.281 3.680 3.960 0.001 0.000 0.221 135 G C 1.204 176.077 174.900 -0.045 0.000 1.119 135 G CA 1.073 46.130 45.100 -0.073 0.000 0.751 135 G HN 0.665 nan 8.290 nan 0.000 0.574 136 D N -0.209 120.132 120.400 -0.099 0.000 2.190 136 D HA -0.097 4.544 4.640 0.001 0.000 0.200 136 D C 0.558 176.982 176.300 0.207 0.000 0.992 136 D CA 0.541 54.545 54.000 0.006 0.000 0.854 136 D CB -0.117 40.651 40.800 -0.053 0.000 0.936 136 D HN 0.380 nan 8.370 nan 0.000 0.462 137 W N 1.620 122.899 121.300 -0.036 0.000 1.611 137 W HA 0.227 4.888 4.660 0.002 0.000 0.395 137 W C 1.434 177.916 176.519 -0.063 0.000 0.698 137 W CA -0.643 56.664 57.345 -0.063 0.000 1.845 137 W CB -1.122 28.271 29.460 -0.112 0.000 1.818 137 W HN -0.041 nan 8.180 nan 0.000 0.270 138 S N -0.781 115.000 115.700 0.135 0.000 2.515 138 S HA -0.174 4.297 4.470 0.001 0.000 0.231 138 S C 1.078 175.696 174.600 0.030 0.000 0.987 138 S CA 1.212 59.447 58.200 0.058 0.000 0.936 138 S CB -0.085 63.128 63.200 0.021 0.000 0.766 138 S HN 0.322 nan 8.310 nan 0.000 0.528 139 D N 1.666 122.080 120.400 0.024 0.000 2.339 139 D HA 0.128 4.769 4.640 0.001 0.000 0.217 139 D C 0.688 176.998 176.300 0.016 0.000 1.050 139 D CA 0.131 54.135 54.000 0.007 0.000 0.856 139 D CB -0.044 40.756 40.800 0.001 0.000 0.922 139 D HN 0.513 nan 8.370 nan 0.000 0.518 140 V N -4.285 115.643 119.914 0.023 0.000 3.147 140 V HA 0.745 4.866 4.120 0.001 0.000 0.306 140 V C -1.335 174.831 176.094 0.120 0.000 1.209 140 V CA -1.089 61.237 62.300 0.043 0.000 1.023 140 V CB 2.814 34.538 31.823 -0.165 0.000 1.059 140 V HN -0.221 nan 8.190 nan 0.000 0.435 141 K N 0.980 121.517 120.400 0.228 0.000 2.469 141 K HA 0.596 4.917 4.320 0.001 0.000 0.254 141 K C -1.728 175.165 176.600 0.488 0.000 0.939 141 K CA -0.478 55.976 56.287 0.279 0.000 0.812 141 K CB 2.213 34.799 32.500 0.143 0.000 1.301 141 K HN 0.904 nan 8.250 nan 0.000 0.433 142 D N 1.682 122.353 120.400 0.452 0.000 2.264 142 D HA 0.296 4.937 4.640 0.001 0.000 0.250 142 D C 0.116 176.613 176.300 0.328 0.000 1.113 142 D CA -0.292 53.975 54.000 0.445 0.000 0.871 142 D CB 0.776 41.808 40.800 0.388 0.000 1.167 142 D HN 0.194 nan 8.370 nan 0.000 0.447 143 L N 1.806 123.017 121.223 -0.019 0.000 2.397 143 L HA 0.175 4.515 4.340 0.001 0.000 0.271 143 L C 0.545 177.177 176.870 -0.396 0.000 1.148 143 L CA -0.216 54.297 54.840 -0.546 0.000 0.825 143 L CB 0.541 42.187 42.059 -0.689 0.000 1.117 143 L HN 0.300 nan 8.230 nan 0.000 0.456 144 D N 1.221 121.205 120.400 -0.694 0.000 2.427 144 D HA 0.121 4.762 4.640 0.001 0.000 0.226 144 D C 0.239 176.291 176.300 -0.414 0.000 1.076 144 D CA -0.283 53.245 54.000 -0.787 0.000 0.849 144 D CB 0.662 40.855 40.800 -1.012 0.000 1.052 144 D HN 0.294 nan 8.370 nan 0.000 0.515 145 Y N 1.916 122.106 120.300 -0.183 0.000 2.632 145 Y HA 0.110 4.660 4.550 0.001 0.000 0.301 145 Y C 2.400 178.396 175.900 0.160 0.000 1.172 145 Y CA 0.600 58.674 58.100 -0.044 0.000 1.328 145 Y CB 0.320 38.665 38.460 -0.193 0.000 1.016 145 Y HN 0.588 nan 8.280 nan 0.000 0.529 146 G N -0.989 107.873 108.800 0.103 0.000 2.479 146 G HA2 -0.234 3.726 3.960 0.001 0.000 0.220 146 G HA3 -0.234 3.726 3.960 0.001 0.000 0.220 146 G C -0.034 174.758 174.900 -0.180 0.000 1.115 146 G CA 0.423 45.514 45.100 -0.015 0.000 0.757 146 G HN 0.397 nan 8.290 nan 0.000 0.560 147 H N -0.682 118.313 119.070 -0.126 0.000 2.846 147 H HA 0.232 4.789 4.556 0.001 0.000 0.278 147 H C 1.170 176.289 175.328 -0.348 0.000 1.117 147 H CA -0.343 55.575 56.048 -0.218 0.000 1.406 147 H CB 0.627 30.216 29.762 -0.287 0.000 1.445 147 H HN 0.167 nan 8.280 nan 0.000 0.469 148 H N 3.793 122.628 119.070 -0.393 0.000 2.423 148 H HA -0.154 4.403 4.556 0.001 0.000 0.297 148 H C 2.048 177.051 175.328 -0.542 0.000 1.075 148 H CA 1.476 57.075 56.048 -0.748 0.000 1.342 148 H CB 0.494 29.836 29.762 -0.701 0.000 1.395 148 H HN 0.911 nan 8.280 nan 0.000 0.530 149 E N 1.491 121.490 120.200 -0.335 0.000 2.160 149 E HA -0.153 4.198 4.350 0.001 0.000 0.195 149 E C 2.202 178.327 176.600 -0.792 0.000 0.991 149 E CA 1.121 57.328 56.400 -0.322 0.000 0.810 149 E CB -0.822 28.889 29.700 0.019 0.000 0.742 149 E HN 0.402 nan 8.360 nan 0.000 0.466 150 L N -0.735 119.642 121.223 -1.410 0.000 2.127 150 L HA -0.074 4.267 4.340 0.001 0.000 0.211 150 L C 2.188 178.737 176.870 -0.534 0.000 1.089 150 L CA 1.911 55.785 54.840 -1.611 0.000 0.757 150 L CB -0.667 40.543 42.059 -1.415 0.000 0.899 150 L HN 0.513 nan 8.230 nan 0.000 0.434 151 W N -0.108 120.865 121.300 -0.546 0.000 2.335 151 W HA -0.177 4.483 4.660 0.001 0.000 0.311 151 W C 2.843 179.341 176.519 -0.035 0.000 1.213 151 W CA 1.400 58.666 57.345 -0.131 0.000 1.274 151 W CB -1.216 28.119 29.460 -0.210 0.000 1.148 151 W HN 0.256 nan 8.180 nan 0.000 0.498 152 Q N -1.168 118.696 119.800 0.107 0.000 2.230 152 Q HA -0.186 4.155 4.340 0.001 0.000 0.202 152 Q C 2.108 178.174 176.000 0.111 0.000 0.963 152 Q CA 1.426 57.289 55.803 0.101 0.000 0.866 152 Q CB -0.897 27.879 28.738 0.065 0.000 0.931 152 Q HN 0.430 nan 8.270 nan 0.000 0.452 153 Y N 0.151 120.443 120.300 -0.014 0.000 2.145 153 Y HA -0.278 4.273 4.550 0.001 0.000 0.286 153 Y C 1.997 177.922 175.900 0.043 0.000 1.145 153 Y CA 1.948 60.079 58.100 0.051 0.000 1.148 153 Y CB 0.134 38.657 38.460 0.105 0.000 0.981 153 Y HN 0.144 nan 8.280 nan 0.000 0.507 154 Q N 0.193 120.094 119.800 0.169 0.000 2.084 154 Q HA -0.166 4.175 4.340 0.001 0.000 0.202 154 Q C 2.428 178.572 176.000 0.239 0.000 0.978 154 Q CA 1.959 57.767 55.803 0.009 0.000 0.844 154 Q CB -0.369 28.180 28.738 -0.316 0.000 0.898 154 Q HN 0.627 nan 8.270 nan 0.000 0.426 155 I N 0.922 121.628 120.570 0.226 0.000 2.286 155 I HA -0.219 3.951 4.170 0.001 0.000 0.245 155 I C 1.594 177.792 176.117 0.134 0.000 1.104 155 I CA 0.881 62.287 61.300 0.175 0.000 1.397 155 I CB -0.255 37.798 38.000 0.087 0.000 1.072 155 I HN 0.039 nan 8.210 nan 0.000 0.417 156 D N 0.640 121.081 120.400 0.069 0.000 2.149 156 D HA -0.149 4.492 4.640 0.001 0.000 0.198 156 D C 2.187 178.515 176.300 0.047 0.000 0.990 156 D CA 1.465 55.484 54.000 0.031 0.000 0.839 156 D CB -0.320 40.451 40.800 -0.048 0.000 0.948 156 D HN 0.258 nan 8.370 nan 0.000 0.460 157 T N 0.937 115.513 114.554 0.037 0.000 2.746 157 T HA -0.116 4.235 4.350 0.001 0.000 0.267 157 T C 1.825 176.727 174.700 0.337 0.000 1.039 157 T CA 0.508 62.706 62.100 0.164 0.000 1.142 157 T CB -0.061 68.965 68.868 0.262 0.000 0.866 157 T HN 0.022 nan 8.240 nan 0.000 0.444 158 L N 0.581 121.960 121.223 0.260 0.000 2.072 158 L HA 0.155 4.496 4.340 0.001 0.000 0.205 158 L C 2.315 179.315 176.870 0.217 0.000 1.079 158 L CA 1.203 56.142 54.840 0.164 0.000 0.752 158 L CB -1.232 40.813 42.059 -0.023 0.000 0.906 158 L HN 0.261 nan 8.230 nan 0.000 0.436 159 L N -1.956 119.385 121.223 0.196 0.000 2.081 159 L HA -0.306 4.035 4.340 0.001 0.000 0.212 159 L C 2.547 179.490 176.870 0.121 0.000 1.080 159 L CA 1.491 56.448 54.840 0.195 0.000 0.754 159 L CB -0.709 41.461 42.059 0.185 0.000 0.893 159 L HN 0.278 nan 8.230 nan 0.000 0.433 160 Y N -0.557 119.734 120.300 -0.015 0.000 2.109 160 Y HA -0.258 4.293 4.550 0.001 0.000 0.285 160 Y C 2.164 177.967 175.900 -0.161 0.000 1.131 160 Y CA 1.350 59.358 58.100 -0.152 0.000 1.121 160 Y CB -0.639 37.659 38.460 -0.270 0.000 0.987 160 Y HN 0.037 nan 8.280 nan 0.000 0.495 161 W N 0.008 121.346 121.300 0.063 0.000 2.392 161 W HA -0.112 4.549 4.660 0.001 0.000 0.279 161 W C 2.559 179.047 176.519 -0.051 0.000 1.225 161 W CA 1.159 58.581 57.345 0.128 0.000 1.233 161 W CB -0.399 29.275 29.460 0.357 0.000 1.122 161 W HN -0.037 nan 8.180 nan 0.000 0.561 162 S N 0.080 115.767 115.700 -0.021 0.000 2.555 162 S HA -0.153 4.317 4.470 0.001 0.000 0.230 162 S C 1.563 175.650 174.600 -0.855 0.000 0.978 162 S CA 0.803 58.738 58.200 -0.443 0.000 0.934 162 S CB -0.228 62.612 63.200 -0.599 0.000 0.766 162 S HN 0.408 nan 8.310 nan 0.000 0.533 163 Q N -0.498 118.844 119.800 -0.764 0.000 2.226 163 Q HA -0.070 4.270 4.340 0.001 0.000 0.204 163 Q C 0.871 176.455 176.000 -0.694 0.000 0.975 163 Q CA 1.291 56.616 55.803 -0.798 0.000 0.866 163 Q CB -0.117 27.936 28.738 -1.141 0.000 0.915 163 Q HN 0.629 nan 8.270 nan 0.000 0.440 164 F N -1.236 118.660 119.950 -0.091 0.000 2.680 164 F HA 0.145 4.673 4.527 0.001 0.000 0.290 164 F C 0.852 176.665 175.800 0.022 0.000 1.114 164 F CA -0.521 57.471 58.000 -0.013 0.000 1.333 164 F CB 0.228 39.277 39.000 0.082 0.000 1.091 164 F HN -0.158 nan 8.300 nan 0.000 0.606 165 V N -2.724 117.273 119.914 0.138 0.000 3.158 165 V HA 0.542 4.663 4.120 0.001 0.000 0.315 165 V C -0.215 175.771 176.094 -0.180 0.000 1.148 165 V CA -0.673 61.642 62.300 0.024 0.000 1.042 165 V CB 2.140 33.974 31.823 0.018 0.000 1.101 165 V HN 0.067 nan 8.190 nan 0.000 0.448 166 D N 0.348 120.616 120.400 -0.221 0.000 2.469 166 D HA 0.438 5.079 4.640 0.001 0.000 0.213 166 D C 0.547 176.612 176.300 -0.393 0.000 1.135 166 D CA 1.105 54.964 54.000 -0.234 0.000 0.834 166 D CB 1.667 42.410 40.800 -0.096 0.000 1.009 166 D HN 1.073 nan 8.370 nan 0.000 0.507 167 G N 0.060 108.454 108.800 -0.677 0.000 2.356 167 G HA2 0.404 4.365 3.960 0.001 0.000 0.294 167 G HA3 0.404 4.365 3.960 0.001 0.000 0.294 167 G C -2.269 171.920 174.900 -1.185 0.000 1.423 167 G CA -0.786 43.807 45.100 -0.845 0.000 0.806 167 G HN -0.056 nan 8.290 nan 0.000 0.527 168 Y N -0.186 119.773 120.300 -0.569 0.000 2.477 168 Y HA 0.738 5.289 4.550 0.001 0.000 0.347 168 Y C 0.255 175.934 175.900 -0.368 0.000 0.981 168 Y CA -1.096 56.712 58.100 -0.487 0.000 1.033 168 Y CB 2.282 40.346 38.460 -0.659 0.000 1.245 168 Y HN 0.499 nan 8.280 nan 0.000 0.455 169 R N 2.542 122.907 120.500 -0.225 0.000 2.295 169 R HA 0.549 4.890 4.340 0.001 0.000 0.324 169 R C -1.813 174.372 176.300 -0.192 0.000 0.968 169 R CA -0.309 55.566 56.100 -0.375 0.000 0.837 169 R CB 0.545 30.258 30.300 -0.978 0.000 1.133 169 R HN 0.860 nan 8.270 nan 0.000 0.450 170 C N 4.195 123.392 119.300 -0.172 0.000 2.223 170 C HA 0.201 4.662 4.460 0.001 0.000 0.324 170 C C 0.152 175.035 174.990 -0.177 0.000 1.196 170 C CA -0.869 58.059 59.018 -0.150 0.000 1.628 170 C CB -0.032 27.559 27.740 -0.249 0.000 2.229 170 C HN 0.728 nan 8.230 nan 0.000 0.486 171 D N 1.845 122.221 120.400 -0.041 0.000 2.458 171 D HA 0.205 4.845 4.640 0.001 0.000 0.243 171 D C 1.049 177.348 176.300 -0.001 0.000 1.146 171 D CA 0.539 54.527 54.000 -0.020 0.000 0.877 171 D CB 0.777 41.639 40.800 0.104 0.000 1.176 171 D HN 0.846 nan 8.370 nan 0.000 0.461 172 V N 1.237 121.133 119.914 -0.030 0.000 5.176 172 V HA -0.342 3.779 4.120 0.001 0.000 0.252 172 V C 1.430 177.581 176.094 0.095 0.000 0.665 172 V CA 1.069 63.417 62.300 0.080 0.000 0.654 172 V CB -2.863 29.133 31.823 0.288 0.000 0.440 172 V HN 0.694 nan 8.190 nan 0.000 0.806 173 A N 1.518 124.304 122.820 -0.056 0.000 1.940 173 A HA -0.127 4.194 4.320 0.001 0.000 0.221 173 A C 0.672 178.342 177.584 0.143 0.000 1.190 173 A CA 2.390 54.385 52.037 -0.070 0.000 0.647 173 A CB -1.536 17.009 19.000 -0.758 0.000 0.821 173 A HN 0.809 nan 8.150 nan 0.000 0.457 174 P HA 0.024 nan 4.420 nan 0.000 0.242 174 P C 0.772 178.118 177.300 0.076 0.000 1.197 174 P CA 0.438 63.569 63.100 0.051 0.000 0.765 174 P CB 0.014 31.697 31.700 -0.027 0.000 0.936 175 L N -1.094 120.197 121.223 0.113 0.000 2.418 175 L HA 0.060 4.401 4.340 0.001 0.000 0.218 175 L C 1.025 177.935 176.870 0.067 0.000 1.125 175 L CA 0.674 55.565 54.840 0.086 0.000 0.835 175 L CB -0.320 41.830 42.059 0.150 0.000 0.953 175 L HN -0.233 nan 8.230 nan 0.000 0.454 176 V N 0.520 120.476 119.914 0.069 0.000 2.435 176 V HA 0.358 4.479 4.120 0.001 0.000 0.290 176 V C -2.132 173.813 176.094 -0.247 0.000 1.030 176 V CA -1.941 60.181 62.300 -0.296 0.000 0.881 176 V CB 1.399 32.844 31.823 -0.630 0.000 0.983 176 V HN -0.031 nan 8.190 nan 0.000 0.445 177 P HA 0.014 nan 4.420 nan 0.000 0.266 177 P C 0.648 177.892 177.300 -0.094 0.000 1.195 177 P CA -0.136 62.892 63.100 -0.121 0.000 0.768 177 P CB 0.616 32.284 31.700 -0.054 0.000 0.838 178 L N 3.874 125.149 121.223 0.086 0.000 2.079 178 L HA -0.205 4.135 4.340 0.001 0.000 0.210 178 L C 1.580 178.478 176.870 0.046 0.000 1.081 178 L CA 2.217 57.152 54.840 0.158 0.000 0.752 178 L CB -1.344 40.803 42.059 0.147 0.000 0.896 178 L HN 0.376 nan 8.230 nan 0.000 0.433 179 D N -1.352 119.074 120.400 0.043 0.000 2.182 179 D HA -0.313 4.327 4.640 0.001 0.000 0.201 179 D C 2.078 178.254 176.300 -0.207 0.000 0.986 179 D CA 1.630 55.680 54.000 0.084 0.000 0.847 179 D CB -1.092 39.912 40.800 0.340 0.000 0.942 179 D HN 0.445 nan 8.370 nan 0.000 0.467 180 F N 0.211 119.660 119.950 -0.835 0.000 2.084 180 F HA -0.032 4.496 4.527 0.002 0.000 0.296 180 F C 1.974 177.322 175.800 -0.755 0.000 1.111 180 F CA 1.294 58.435 58.000 -1.431 0.000 1.224 180 F CB -0.570 37.330 39.000 -1.832 0.000 0.991 180 F HN -0.091 nan 8.300 nan 0.000 0.471 181 W N 0.639 121.676 121.300 -0.438 0.000 2.342 181 W HA -0.176 4.485 4.660 0.001 0.000 0.297 181 W C 2.306 178.448 176.519 -0.627 0.000 1.213 181 W CA 0.877 57.924 57.345 -0.497 0.000 1.251 181 W CB -0.579 28.769 29.460 -0.187 0.000 1.136 181 W HN 0.057 nan 8.180 nan 0.000 0.526 182 L N -0.152 120.941 121.223 -0.217 0.000 2.046 182 L HA -0.207 4.134 4.340 0.001 0.000 0.208 182 L C 2.503 179.217 176.870 -0.259 0.000 1.077 182 L CA 1.377 56.083 54.840 -0.223 0.000 0.747 182 L CB -0.746 41.258 42.059 -0.091 0.000 0.896 182 L HN -0.063 nan 8.230 nan 0.000 0.432 183 E N 0.525 120.564 120.200 -0.268 0.000 2.047 183 E HA -0.159 4.192 4.350 0.001 0.000 0.191 183 E C 2.114 178.538 176.600 -0.294 0.000 0.987 183 E CA 1.451 57.738 56.400 -0.188 0.000 0.799 183 E CB -0.133 29.554 29.700 -0.022 0.000 0.752 183 E HN 0.327 nan 8.360 nan 0.000 0.449 184 A N 1.256 123.739 122.820 -0.562 0.000 1.873 184 A HA -0.260 4.061 4.320 0.001 0.000 0.218 184 A C 2.362 179.790 177.584 -0.259 0.000 1.193 184 A CA 2.156 53.929 52.037 -0.440 0.000 0.629 184 A CB -0.785 17.851 19.000 -0.608 0.000 0.826 184 A HN 0.302 nan 8.150 nan 0.000 0.447 185 R N -0.128 120.027 120.500 -0.576 0.000 2.105 185 R HA -0.190 4.151 4.340 0.001 0.000 0.239 185 R C 2.302 178.475 176.300 -0.211 0.000 1.135 185 R CA 1.993 57.716 56.100 -0.628 0.000 0.967 185 R CB -0.276 29.392 30.300 -1.054 0.000 0.861 185 R HN 0.606 nan 8.270 nan 0.000 0.442 186 K N 0.257 120.543 120.400 -0.190 0.000 2.026 186 K HA -0.198 4.123 4.320 0.001 0.000 0.208 186 K C 2.066 178.656 176.600 -0.017 0.000 1.048 186 K CA 1.820 58.054 56.287 -0.088 0.000 0.929 186 K CB 0.007 32.460 32.500 -0.078 0.000 0.713 186 K HN 0.318 nan 8.250 nan 0.000 0.439 187 Q N -0.090 119.708 119.800 -0.002 0.000 2.083 187 Q HA -0.082 4.258 4.340 0.001 0.000 0.198 187 Q C 2.197 178.266 176.000 0.115 0.000 0.969 187 Q CA 1.229 57.060 55.803 0.045 0.000 0.838 187 Q CB 0.193 28.957 28.738 0.043 0.000 0.900 187 Q HN 0.162 nan 8.270 nan 0.000 0.436 188 V N 1.584 121.611 119.914 0.188 0.000 2.270 188 V HA -0.229 3.892 4.120 0.001 0.000 0.245 188 V C 1.327 177.616 176.094 0.324 0.000 1.043 188 V CA 1.925 64.426 62.300 0.334 0.000 1.014 188 V CB -0.474 31.654 31.823 0.508 0.000 0.645 188 V HN 0.343 nan 8.190 nan 0.000 0.447 189 N N 0.176 119.031 118.700 0.258 0.000 2.512 189 N HA 0.026 4.767 4.740 0.001 0.000 0.183 189 N C 1.584 177.150 175.510 0.093 0.000 1.073 189 N CA 0.949 54.120 53.050 0.202 0.000 0.911 189 N CB -0.242 38.347 38.487 0.169 0.000 0.964 189 N HN 0.479 nan 8.380 nan 0.000 0.447 190 A N 0.791 123.646 122.820 0.059 0.000 1.930 190 A HA -0.072 4.249 4.320 0.001 0.000 0.217 190 A C 2.304 179.857 177.584 -0.050 0.000 1.175 190 A CA 2.059 54.097 52.037 0.003 0.000 0.627 190 A CB -0.599 18.401 19.000 0.000 0.000 0.815 190 A HN 0.363 nan 8.150 nan 0.000 0.443 191 K N -1.857 118.497 120.400 -0.075 0.000 2.284 191 K HA 0.266 4.587 4.320 0.001 0.000 0.198 191 K C 0.106 176.343 176.600 -0.606 0.000 1.048 191 K CA 0.699 56.788 56.287 -0.331 0.000 0.987 191 K CB -0.245 32.044 32.500 -0.351 0.000 0.800 191 K HN 0.574 nan 8.250 nan 0.000 0.486 192 Y N 0.411 120.730 120.300 0.031 0.000 2.592 192 Y HA 0.241 4.792 4.550 0.001 0.000 0.354 192 Y C -2.010 173.911 175.900 0.035 0.000 1.063 192 Y CA -2.569 55.542 58.100 0.019 0.000 1.205 192 Y CB 2.019 40.492 38.460 0.021 0.000 1.106 192 Y HN 0.033 nan 8.280 nan 0.000 0.649 193 P HA -0.128 nan 4.420 nan 0.000 0.225 193 P C 1.074 178.423 177.300 0.082 0.000 1.148 193 P CA 1.738 64.884 63.100 0.077 0.000 0.779 193 P CB 0.338 32.052 31.700 0.023 0.000 0.780 194 E N -0.195 120.051 120.200 0.077 0.000 2.478 194 E HA 0.055 4.406 4.350 0.001 0.000 0.194 194 E C 0.841 177.463 176.600 0.037 0.000 1.045 194 E CA 0.199 56.623 56.400 0.040 0.000 0.868 194 E CB -1.392 28.312 29.700 0.006 0.000 0.885 194 E HN 0.219 nan 8.360 nan 0.000 0.505 195 T N 1.991 116.589 114.554 0.074 0.000 2.822 195 T HA 0.298 4.648 4.350 0.001 0.000 0.288 195 T C 0.429 175.154 174.700 0.042 0.000 0.991 195 T CA 0.057 62.153 62.100 -0.007 0.000 1.176 195 T CB -0.062 68.841 68.868 0.058 0.000 0.951 195 T HN 0.308 nan 8.240 nan 0.000 0.526 196 L N 3.179 124.326 121.223 -0.126 0.000 2.379 196 L HA 0.576 4.917 4.340 0.001 0.000 0.269 196 L C -0.536 176.201 176.870 -0.222 0.000 1.084 196 L CA -0.759 54.052 54.840 -0.048 0.000 0.802 196 L CB 0.945 42.950 42.059 -0.090 0.000 1.175 196 L HN 0.683 nan 8.230 nan 0.000 0.448 197 W N 3.572 124.842 121.300 -0.049 0.000 2.756 197 W HA 0.527 5.187 4.660 0.001 0.000 0.333 197 W C -1.129 175.474 176.519 0.140 0.000 1.025 197 W CA -0.350 56.996 57.345 0.001 0.000 1.246 197 W CB 1.564 30.878 29.460 -0.244 0.000 1.358 197 W HN 0.094 nan 8.180 nan 0.000 0.444 198 L N 3.615 124.988 121.223 0.249 0.000 2.341 198 L HA 0.937 5.278 4.340 0.001 0.000 0.278 198 L C -0.423 176.356 176.870 -0.151 0.000 1.005 198 L CA -0.654 54.198 54.840 0.021 0.000 0.818 198 L CB 1.369 43.303 42.059 -0.209 0.000 1.259 198 L HN 0.458 nan 8.230 nan 0.000 0.418 199 A N 3.911 126.411 122.820 -0.533 0.000 2.288 199 A HA 0.408 4.729 4.320 0.001 0.000 0.320 199 A C -0.188 177.108 177.584 -0.480 0.000 1.217 199 A CA -0.548 50.883 52.037 -1.009 0.000 0.840 199 A CB 0.412 18.330 19.000 -1.804 0.000 1.179 199 A HN 0.767 nan 8.150 nan 0.000 0.504 200 E N 2.941 122.835 120.200 -0.510 0.000 1.791 200 E HA 0.196 4.546 4.350 0.001 0.000 0.263 200 E C 0.273 176.625 176.600 -0.413 0.000 1.213 200 E CA -0.174 55.810 56.400 -0.694 0.000 0.991 200 E CB 0.107 29.363 29.700 -0.740 0.000 1.068 200 E HN 0.721 nan 8.360 nan 0.000 0.417 201 S N 2.232 117.776 115.700 -0.259 0.000 2.624 201 S HA 0.587 5.057 4.470 0.001 0.000 0.263 201 S C 0.242 174.882 174.600 0.067 0.000 1.287 201 S CA -0.712 57.421 58.200 -0.113 0.000 0.990 201 S CB 1.737 64.886 63.200 -0.085 0.000 0.950 201 S HN 0.473 nan 8.310 nan 0.000 0.561 202 A N 0.447 123.331 122.820 0.108 0.000 2.282 202 A HA 0.839 5.159 4.320 0.001 0.000 0.324 202 A C 0.520 178.234 177.584 0.218 0.000 1.119 202 A CA -0.520 51.629 52.037 0.185 0.000 0.880 202 A CB 0.278 19.416 19.000 0.229 0.000 1.294 202 A HN 1.230 nan 8.150 nan 0.000 0.493 203 G N -0.782 108.145 108.800 0.211 0.000 2.476 203 G HA2 0.415 4.376 3.960 0.001 0.000 0.286 203 G HA3 0.415 4.376 3.960 0.001 0.000 0.286 203 G C 1.085 176.096 174.900 0.186 0.000 1.177 203 G CA 0.482 45.706 45.100 0.208 0.000 0.870 203 G HN 1.407 nan 8.290 nan 0.000 0.528 204 S N 0.628 116.423 115.700 0.158 0.000 2.400 204 S HA -0.102 4.369 4.470 0.001 0.000 0.232 204 S C 2.414 177.081 174.600 0.112 0.000 1.025 204 S CA 1.591 59.863 58.200 0.121 0.000 0.993 204 S CB -0.649 62.613 63.200 0.105 0.000 0.808 204 S HN 0.888 nan 8.310 nan 0.000 0.478 205 G N 0.661 109.537 108.800 0.127 0.000 2.418 205 G HA2 -0.143 3.818 3.960 0.001 0.000 0.217 205 G HA3 -0.143 3.818 3.960 0.001 0.000 0.217 205 G C 1.191 176.200 174.900 0.181 0.000 1.158 205 G CA 0.890 46.064 45.100 0.123 0.000 0.771 205 G HN 0.502 nan 8.290 nan 0.000 0.545 206 F N 1.543 121.501 119.950 0.015 0.000 2.128 206 F HA 0.132 4.660 4.527 0.001 0.000 0.295 206 F C 2.535 178.349 175.800 0.023 0.000 1.100 206 F CA 0.238 58.241 58.000 0.005 0.000 1.260 206 F CB -0.523 38.470 39.000 -0.011 0.000 1.009 206 F HN 0.093 nan 8.300 nan 0.000 0.476 207 I N 0.292 120.840 120.570 -0.036 0.000 2.113 207 I HA -0.342 3.829 4.170 0.001 0.000 0.242 207 I C 2.441 178.521 176.117 -0.061 0.000 1.064 207 I CA 1.668 62.906 61.300 -0.104 0.000 1.320 207 I CB -0.613 37.382 38.000 -0.009 0.000 1.028 207 I HN 0.107 nan 8.210 nan 0.000 0.406 208 E N 0.802 121.004 120.200 0.003 0.000 2.058 208 E HA -0.271 4.080 4.350 0.001 0.000 0.194 208 E C 2.359 178.957 176.600 -0.005 0.000 0.997 208 E CA 1.945 58.349 56.400 0.006 0.000 0.801 208 E CB -0.502 29.215 29.700 0.028 0.000 0.746 208 E HN 0.681 nan 8.360 nan 0.000 0.450 209 E N 1.471 121.685 120.200 0.024 0.000 2.058 209 E HA -0.167 4.184 4.350 0.001 0.000 0.194 209 E C 2.278 178.873 176.600 -0.009 0.000 0.997 209 E CA 1.530 57.952 56.400 0.036 0.000 0.801 209 E CB -0.944 28.838 29.700 0.137 0.000 0.746 209 E HN 0.236 nan 8.360 nan 0.000 0.450 210 L N -0.640 120.542 121.223 -0.068 0.000 2.027 210 L HA -0.115 4.226 4.340 0.001 0.000 0.206 210 L C 3.042 179.882 176.870 -0.050 0.000 1.074 210 L CA 1.673 56.502 54.840 -0.018 0.000 0.745 210 L CB -0.328 41.642 42.059 -0.147 0.000 0.898 210 L HN 0.231 nan 8.230 nan 0.000 0.433 211 R N 0.088 120.552 120.500 -0.061 0.000 2.081 211 R HA -0.141 4.200 4.340 0.001 0.000 0.235 211 R C 2.514 178.758 176.300 -0.093 0.000 1.131 211 R CA 1.678 57.742 56.100 -0.059 0.000 0.960 211 R CB -0.563 29.718 30.300 -0.032 0.000 0.856 211 R HN 0.466 nan 8.270 nan 0.000 0.436 212 S N 0.514 116.163 115.700 -0.086 0.000 2.507 212 S HA -0.074 4.397 4.470 0.001 0.000 0.235 212 S C 1.471 175.980 174.600 -0.151 0.000 0.988 212 S CA 0.699 58.845 58.200 -0.089 0.000 0.944 212 S CB 0.143 63.312 63.200 -0.053 0.000 0.762 212 S HN 0.210 nan 8.310 nan 0.000 0.526 213 Q N 0.328 119.972 119.800 -0.261 0.000 2.282 213 Q HA 0.333 4.674 4.340 0.001 0.000 0.206 213 Q C 1.382 176.999 176.000 -0.639 0.000 0.878 213 Q CA 0.633 56.151 55.803 -0.475 0.000 0.944 213 Q CB 0.283 28.626 28.738 -0.659 0.000 1.100 213 Q HN 0.755 nan 8.270 nan 0.000 0.509 214 G N 0.522 109.080 108.800 -0.404 0.000 2.141 214 G HA2 -0.252 3.709 3.960 0.001 0.000 0.231 214 G HA3 -0.252 3.709 3.960 0.001 0.000 0.231 214 G C -0.401 174.413 174.900 -0.143 0.000 0.984 214 G CA -0.140 44.812 45.100 -0.246 0.000 0.660 214 G HN 0.202 nan 8.290 nan 0.000 0.525 215 Y N 0.790 121.071 120.300 -0.031 0.000 2.432 215 Y HA 0.637 5.188 4.550 0.001 0.000 0.322 215 Y C 1.414 177.304 175.900 -0.017 0.000 1.246 215 Y CA -0.700 57.383 58.100 -0.028 0.000 1.268 215 Y CB 0.356 38.772 38.460 -0.073 0.000 1.276 215 Y HN 0.028 nan 8.280 nan 0.000 0.499 216 T N 1.765 116.434 114.554 0.191 0.000 2.908 216 T HA 0.372 4.723 4.350 0.001 0.000 0.301 216 T C 0.395 175.125 174.700 0.050 0.000 1.019 216 T CA 0.577 62.740 62.100 0.106 0.000 1.152 216 T CB -0.284 68.644 68.868 0.100 0.000 0.966 216 T HN 0.886 nan 8.240 nan 0.000 0.540 217 G N 3.756 112.565 108.800 0.015 0.000 2.975 217 G HA2 0.496 4.457 3.960 0.001 0.000 0.299 217 G HA3 0.496 4.457 3.960 0.001 0.000 0.299 217 G C -0.440 174.455 174.900 -0.007 0.000 1.587 217 G CA -0.721 44.352 45.100 -0.045 0.000 1.052 217 G HN 0.691 nan 8.290 nan 0.000 0.545 218 L N 2.127 123.360 121.223 0.018 0.000 2.426 218 L HA 0.359 4.700 4.340 0.001 0.000 0.271 218 L C 1.407 178.295 176.870 0.030 0.000 1.169 218 L CA -0.568 54.297 54.840 0.041 0.000 0.836 218 L CB 1.183 43.285 42.059 0.072 0.000 1.112 218 L HN 0.610 nan 8.230 nan 0.000 0.465 219 S N 0.429 116.161 115.700 0.054 0.000 2.608 219 S HA 0.067 4.538 4.470 0.001 0.000 0.261 219 S C 0.555 175.205 174.600 0.084 0.000 1.314 219 S CA -0.619 57.629 58.200 0.080 0.000 0.992 219 S CB 1.070 64.329 63.200 0.099 0.000 0.935 219 S HN 0.610 nan 8.310 nan 0.000 0.564 220 D N 1.037 121.527 120.400 0.150 0.000 2.144 220 D HA -0.018 4.622 4.640 0.001 0.000 0.199 220 D C 1.981 178.374 176.300 0.156 0.000 0.984 220 D CA 1.453 55.512 54.000 0.097 0.000 0.834 220 D CB -0.490 40.458 40.800 0.248 0.000 0.955 220 D HN 0.499 nan 8.370 nan 0.000 0.465 221 S N 0.045 115.975 115.700 0.385 0.000 2.406 221 S HA -0.077 4.394 4.470 0.001 0.000 0.228 221 S C 1.727 176.482 174.600 0.257 0.000 1.020 221 S CA 0.582 59.048 58.200 0.442 0.000 0.965 221 S CB 0.009 63.420 63.200 0.351 0.000 0.798 221 S HN 0.320 nan 8.310 nan 0.000 0.488 222 E N 1.110 121.408 120.200 0.162 0.000 2.072 222 E HA -0.075 4.276 4.350 0.001 0.000 0.191 222 E C 1.968 178.633 176.600 0.109 0.000 0.985 222 E CA 0.841 57.315 56.400 0.124 0.000 0.801 222 E CB -0.264 29.497 29.700 0.102 0.000 0.750 222 E HN 0.389 nan 8.360 nan 0.000 0.452 223 L N 0.075 121.317 121.223 0.031 0.000 2.043 223 L HA -0.238 4.103 4.340 0.001 0.000 0.212 223 L C 2.272 179.160 176.870 0.031 0.000 1.075 223 L CA 1.239 56.054 54.840 -0.041 0.000 0.752 223 L CB -0.514 41.331 42.059 -0.357 0.000 0.891 223 L HN 0.205 nan 8.230 nan 0.000 0.432 224 Y N 0.294 120.639 120.300 0.076 0.000 2.465 224 Y HA -0.258 4.292 4.550 0.001 0.000 0.289 224 Y C 2.658 178.593 175.900 0.058 0.000 1.150 224 Y CA 0.949 59.091 58.100 0.071 0.000 1.293 224 Y CB -0.610 37.881 38.460 0.051 0.000 0.977 224 Y HN 0.303 nan 8.280 nan 0.000 0.556 225 Q N -1.187 118.722 119.800 0.181 0.000 2.226 225 Q HA -0.130 4.211 4.340 0.001 0.000 0.204 225 Q C 2.047 178.042 176.000 -0.008 0.000 0.975 225 Q CA 1.364 57.220 55.803 0.088 0.000 0.866 225 Q CB -0.121 28.661 28.738 0.073 0.000 0.915 225 Q HN 0.509 nan 8.270 nan 0.000 0.440 226 A N -1.123 121.669 122.820 -0.047 0.000 2.358 226 A HA 0.281 4.602 4.320 0.001 0.000 0.223 226 A C -0.003 177.211 177.584 -0.617 0.000 1.218 226 A CA -0.310 51.514 52.037 -0.355 0.000 0.942 226 A CB 0.673 19.437 19.000 -0.393 0.000 1.005 226 A HN 0.133 nan 8.150 nan 0.000 0.514 227 F N 0.016 119.857 119.950 -0.181 0.000 2.508 227 F HA 0.374 4.902 4.527 0.001 0.000 0.325 227 F C 0.613 176.435 175.800 0.037 0.000 1.090 227 F CA -0.830 57.097 58.000 -0.122 0.000 0.945 227 F CB 1.672 40.517 39.000 -0.258 0.000 1.156 227 F HN 0.012 nan 8.300 nan 0.000 0.463 228 D N 1.742 122.296 120.400 0.257 0.000 2.194 228 D HA 0.030 4.671 4.640 0.001 0.000 0.204 228 D C 0.240 176.699 176.300 0.265 0.000 0.964 228 D CA 1.539 55.671 54.000 0.220 0.000 0.846 228 D CB 0.302 41.194 40.800 0.154 0.000 0.962 228 D HN 0.352 nan 8.370 nan 0.000 0.490 229 M N -0.410 119.303 119.600 0.189 0.000 2.501 229 M HA 0.257 4.738 4.480 0.001 0.000 0.293 229 M C -0.484 175.722 176.300 -0.157 0.000 1.192 229 M CA -0.566 54.784 55.300 0.083 0.000 0.886 229 M CB 2.972 35.553 32.600 -0.031 0.000 1.710 229 M HN -0.248 nan 8.290 nan 0.000 0.457 230 T N -2.018 112.390 114.554 -0.243 0.000 2.930 230 T HA 0.663 5.014 4.350 0.001 0.000 0.290 230 T C -0.878 173.768 174.700 -0.091 0.000 1.052 230 T CA -0.701 61.210 62.100 -0.315 0.000 1.017 230 T CB 1.081 69.605 68.868 -0.574 0.000 1.137 230 T HN 0.394 nan 8.240 nan 0.000 0.511 231 Y N 0.584 120.743 120.300 -0.235 0.000 2.326 231 Y HA 0.239 4.790 4.550 0.001 0.000 0.333 231 Y C 1.384 177.287 175.900 0.006 0.000 1.240 231 Y CA -0.238 57.770 58.100 -0.153 0.000 1.365 231 Y CB 0.442 38.731 38.460 -0.284 0.000 1.289 231 Y HN 0.707 nan 8.280 nan 0.000 0.548 232 D N 1.553 122.101 120.400 0.246 0.000 2.490 232 D HA -0.079 4.562 4.640 0.001 0.000 0.255 232 D C 0.604 177.084 176.300 0.301 0.000 1.248 232 D CA 0.607 54.711 54.000 0.174 0.000 0.887 232 D CB -0.496 40.236 40.800 -0.114 0.000 0.978 232 D HN 0.471 nan 8.370 nan 0.000 0.491 233 Y N 0.402 120.960 120.300 0.431 0.000 2.583 233 Y HA -0.063 4.488 4.550 0.002 0.000 0.293 233 Y C 1.822 177.913 175.900 0.318 0.000 1.157 233 Y CA 0.293 58.640 58.100 0.413 0.000 1.315 233 Y CB 0.010 38.649 38.460 0.298 0.000 1.021 233 Y HN 0.178 nan 8.280 nan 0.000 0.536 234 D N -0.909 119.744 120.400 0.422 0.000 2.312 234 D HA -0.085 4.556 4.640 0.001 0.000 0.211 234 D C 1.310 177.803 176.300 0.321 0.000 0.964 234 D CA 1.415 55.618 54.000 0.339 0.000 0.877 234 D CB -0.494 40.504 40.800 0.330 0.000 0.924 234 D HN 0.324 nan 8.370 nan 0.000 0.515 235 V N -4.428 115.700 119.914 0.356 0.000 3.392 235 V HA 0.248 4.369 4.120 0.001 0.000 0.285 235 V C 1.791 178.136 176.094 0.419 0.000 1.582 235 V CA -0.499 62.020 62.300 0.365 0.000 1.034 235 V CB -0.734 31.308 31.823 0.364 0.000 0.846 235 V HN -0.064 nan 8.190 nan 0.000 0.431 236 F N 4.056 124.145 119.950 0.230 0.000 2.120 236 F HA 0.043 4.571 4.527 0.001 0.000 0.300 236 F C 2.142 178.110 175.800 0.281 0.000 1.095 236 F CA 2.260 60.375 58.000 0.191 0.000 1.249 236 F CB -0.862 38.260 39.000 0.204 0.000 0.995 236 F HN 0.246 nan 8.300 nan 0.000 0.480 237 G N -0.345 108.566 108.800 0.186 0.000 2.422 237 G HA2 -0.243 3.717 3.960 0.001 0.000 0.218 237 G HA3 -0.243 3.717 3.960 0.001 0.000 0.218 237 G C 1.448 176.355 174.900 0.011 0.000 1.146 237 G CA 0.973 46.083 45.100 0.016 0.000 0.769 237 G HN 0.393 nan 8.290 nan 0.000 0.547 238 D N 0.145 120.617 120.400 0.120 0.000 2.117 238 D HA -0.100 4.540 4.640 0.001 0.000 0.198 238 D C 2.023 178.278 176.300 -0.075 0.000 0.982 238 D CA 0.578 54.647 54.000 0.114 0.000 0.828 238 D CB -0.265 40.700 40.800 0.276 0.000 0.967 238 D HN 0.314 nan 8.370 nan 0.000 0.464 239 F N 2.650 122.459 119.950 -0.234 0.000 2.065 239 F HA -0.215 4.313 4.527 0.001 0.000 0.298 239 F C 2.108 177.783 175.800 -0.208 0.000 1.112 239 F CA 1.572 59.278 58.000 -0.489 0.000 1.212 239 F CB -0.089 38.868 39.000 -0.072 0.000 0.975 239 F HN -0.230 nan 8.300 nan 0.000 0.476 240 K N -0.108 120.072 120.400 -0.367 0.000 2.097 240 K HA -0.175 4.146 4.320 0.001 0.000 0.206 240 K C 1.747 178.193 176.600 -0.256 0.000 1.049 240 K CA 1.558 57.611 56.287 -0.390 0.000 0.933 240 K CB -0.425 31.871 32.500 -0.340 0.000 0.717 240 K HN 0.303 nan 8.250 nan 0.000 0.442 241 D N 0.182 120.479 120.400 -0.172 0.000 2.144 241 D HA -0.184 4.456 4.640 0.001 0.000 0.199 241 D C 1.733 177.965 176.300 -0.113 0.000 0.984 241 D CA 1.027 54.964 54.000 -0.105 0.000 0.834 241 D CB -0.306 40.473 40.800 -0.035 0.000 0.955 241 D HN 0.203 nan 8.370 nan 0.000 0.465 242 Y N 0.364 120.495 120.300 -0.281 0.000 2.145 242 Y HA -0.201 4.350 4.550 0.001 0.000 0.286 242 Y C 2.266 177.999 175.900 -0.279 0.000 1.145 242 Y CA 1.480 59.419 58.100 -0.268 0.000 1.148 242 Y CB -0.672 37.560 38.460 -0.380 0.000 0.981 242 Y HN 0.115 nan 8.280 nan 0.000 0.507 243 W N 1.477 122.283 121.300 -0.823 0.000 2.374 243 W HA -0.211 4.449 4.660 0.001 0.000 0.288 243 W C 1.092 177.311 176.519 -0.499 0.000 1.218 243 W CA 2.030 58.877 57.345 -0.828 0.000 1.245 243 W CB -0.064 28.829 29.460 -0.946 0.000 1.126 243 W HN 0.323 nan 8.180 nan 0.000 0.545 244 Q N -0.611 118.962 119.800 -0.378 0.000 2.320 244 Q HA 0.153 4.494 4.340 0.001 0.000 0.201 244 Q C 1.371 177.202 176.000 -0.282 0.000 0.910 244 Q CA 0.556 56.178 55.803 -0.302 0.000 0.946 244 Q CB -0.007 28.642 28.738 -0.149 0.000 1.062 244 Q HN 0.325 nan 8.270 nan 0.000 0.503 245 G N 1.435 110.036 108.800 -0.332 0.000 2.148 245 G HA2 -0.320 3.640 3.960 0.001 0.000 0.254 245 G HA3 -0.320 3.640 3.960 0.001 0.000 0.254 245 G C 0.797 175.618 174.900 -0.132 0.000 0.981 245 G CA 0.235 45.190 45.100 -0.243 0.000 0.670 245 G HN 0.335 nan 8.290 nan 0.000 0.528 246 R N -0.412 120.024 120.500 -0.105 0.000 2.312 246 R HA 0.353 4.693 4.340 0.001 0.000 0.205 246 R C 0.891 177.184 176.300 -0.012 0.000 0.904 246 R CA 0.835 56.904 56.100 -0.053 0.000 1.052 246 R CB 0.561 30.831 30.300 -0.050 0.000 1.014 246 R HN 0.322 nan 8.270 nan 0.000 0.503 247 S N 0.095 115.802 115.700 0.012 0.000 2.595 247 S HA 0.335 4.806 4.470 0.001 0.000 0.281 247 S C -0.367 174.326 174.600 0.156 0.000 1.117 247 S CA -0.650 57.597 58.200 0.079 0.000 0.873 247 S CB 1.801 65.059 63.200 0.097 0.000 1.108 247 S HN 0.207 nan 8.310 nan 0.000 0.477 248 T N -0.110 114.535 114.554 0.152 0.000 2.927 248 T HA 0.439 4.790 4.350 0.001 0.000 0.281 248 T C 1.255 176.057 174.700 0.169 0.000 0.998 248 T CA -0.333 61.875 62.100 0.180 0.000 1.019 248 T CB 1.093 70.018 68.868 0.095 0.000 1.061 248 T HN 0.531 nan 8.240 nan 0.000 0.518 249 V N 1.054 121.038 119.914 0.116 0.000 2.490 249 V HA -0.103 4.018 4.120 0.001 0.000 0.250 249 V C 2.322 178.372 176.094 -0.073 0.000 1.061 249 V CA 2.176 64.366 62.300 -0.184 0.000 1.064 249 V CB -0.960 30.803 31.823 -0.100 0.000 0.670 249 V HN 0.964 nan 8.190 nan 0.000 0.461 250 E N 0.134 120.334 120.200 0.000 0.000 2.047 250 E HA -0.204 4.147 4.350 0.001 0.000 0.191 250 E C 2.323 178.932 176.600 0.015 0.000 0.987 250 E CA 1.672 58.072 56.400 -0.000 0.000 0.799 250 E CB -0.417 29.291 29.700 0.013 0.000 0.752 250 E HN 0.612 nan 8.360 nan 0.000 0.449 251 R N -0.455 120.075 120.500 0.051 0.000 2.073 251 R HA -0.215 4.126 4.340 0.001 0.000 0.234 251 R C 2.307 178.680 176.300 0.122 0.000 1.134 251 R CA 1.414 57.560 56.100 0.078 0.000 0.952 251 R CB -0.454 29.901 30.300 0.091 0.000 0.850 251 R HN 0.262 nan 8.270 nan 0.000 0.433 252 Y N 0.904 121.186 120.300 -0.031 0.000 2.114 252 Y HA -0.167 4.384 4.550 0.001 0.000 0.284 252 Y C 1.996 177.908 175.900 0.020 0.000 1.143 252 Y CA 1.545 59.636 58.100 -0.014 0.000 1.135 252 Y CB -0.603 37.773 38.460 -0.141 0.000 0.980 252 Y HN -0.107 nan 8.280 nan 0.000 0.499 253 V N 0.782 120.585 119.914 -0.186 0.000 2.490 253 V HA -0.267 3.854 4.120 0.001 0.000 0.250 253 V C 2.084 178.114 176.094 -0.106 0.000 1.061 253 V CA 2.195 64.364 62.300 -0.218 0.000 1.064 253 V CB -0.825 30.905 31.823 -0.156 0.000 0.670 253 V HN 0.453 nan 8.190 nan 0.000 0.461 254 D N -0.032 120.340 120.400 -0.047 0.000 2.117 254 D HA -0.169 4.472 4.640 0.001 0.000 0.197 254 D C 2.043 178.339 176.300 -0.007 0.000 0.987 254 D CA 1.291 55.277 54.000 -0.022 0.000 0.829 254 D CB -0.110 40.689 40.800 -0.001 0.000 0.961 254 D HN 0.397 nan 8.370 nan 0.000 0.460 255 L N -0.099 121.139 121.223 0.025 0.000 2.083 255 L HA -0.138 4.203 4.340 0.001 0.000 0.209 255 L C 2.511 179.402 176.870 0.035 0.000 1.083 255 L CA 0.651 55.524 54.840 0.056 0.000 0.752 255 L CB -0.407 41.735 42.059 0.139 0.000 0.899 255 L HN 0.205 nan 8.230 nan 0.000 0.433 256 L N -0.872 120.341 121.223 -0.017 0.000 2.093 256 L HA -0.218 4.123 4.340 0.001 0.000 0.208 256 L C 2.679 179.557 176.870 0.013 0.000 1.085 256 L CA 1.189 56.025 54.840 -0.007 0.000 0.755 256 L CB -0.508 41.497 42.059 -0.089 0.000 0.904 256 L HN 0.335 nan 8.230 nan 0.000 0.435 257 Q N -0.222 119.563 119.800 -0.024 0.000 2.084 257 Q HA -0.188 4.153 4.340 0.001 0.000 0.202 257 Q C 2.376 178.359 176.000 -0.028 0.000 0.978 257 Q CA 1.349 57.136 55.803 -0.027 0.000 0.844 257 Q CB -0.092 28.616 28.738 -0.050 0.000 0.898 257 Q HN 0.443 nan 8.270 nan 0.000 0.426 258 R N 0.547 121.028 120.500 -0.032 0.000 2.081 258 R HA -0.176 4.164 4.340 0.001 0.000 0.235 258 R C 2.383 178.621 176.300 -0.103 0.000 1.131 258 R CA 1.475 57.540 56.100 -0.058 0.000 0.960 258 R CB -0.251 30.024 30.300 -0.042 0.000 0.856 258 R HN 0.324 nan 8.270 nan 0.000 0.436 259 Q N 0.999 120.764 119.800 -0.059 0.000 2.061 259 Q HA -0.253 4.088 4.340 0.001 0.000 0.204 259 Q C 1.414 177.318 176.000 -0.160 0.000 0.984 259 Q CA 2.169 57.922 55.803 -0.084 0.000 0.846 259 Q CB -0.155 28.647 28.738 0.107 0.000 0.902 259 Q HN 0.197 nan 8.270 nan 0.000 0.421 260 D N -0.685 119.705 120.400 -0.017 0.000 2.221 260 D HA -0.126 4.515 4.640 0.001 0.000 0.204 260 D C 1.177 177.415 176.300 -0.104 0.000 0.982 260 D CA 1.351 55.374 54.000 0.038 0.000 0.857 260 D CB -0.012 40.912 40.800 0.207 0.000 0.934 260 D HN 0.395 nan 8.370 nan 0.000 0.475 261 A N -1.363 121.368 122.820 -0.149 0.000 2.308 261 A HA 0.130 4.451 4.320 0.001 0.000 0.217 261 A C 2.015 179.437 177.584 -0.271 0.000 1.216 261 A CA 0.457 52.400 52.037 -0.156 0.000 0.864 261 A CB -0.049 18.893 19.000 -0.097 0.000 0.902 261 A HN 0.162 nan 8.150 nan 0.000 0.499 262 T N 0.006 114.262 114.554 -0.498 0.000 2.985 262 T HA 0.171 4.522 4.350 0.001 0.000 0.266 262 T C 0.121 174.340 174.700 -0.801 0.000 1.076 262 T CA 0.810 62.462 62.100 -0.746 0.000 1.135 262 T CB -0.267 67.916 68.868 -1.142 0.000 0.890 262 T HN 0.311 nan 8.240 nan 0.000 0.480 263 F N 0.592 120.341 119.950 -0.336 0.000 2.518 263 F HA 0.533 5.061 4.527 0.001 0.000 0.338 263 F C -2.221 173.418 175.800 -0.268 0.000 1.065 263 F CA -3.095 54.679 58.000 -0.378 0.000 1.012 263 F CB -0.369 38.163 39.000 -0.780 0.000 1.297 263 F HN -0.263 nan 8.300 nan 0.000 0.489 264 P HA 0.144 nan 4.420 nan 0.000 0.270 264 P C 0.785 178.137 177.300 0.086 0.000 1.223 264 P CA 0.152 63.264 63.100 0.020 0.000 0.785 264 P CB 0.521 32.220 31.700 -0.001 0.000 0.923 265 G N 1.856 110.696 108.800 0.067 0.000 2.469 265 G HA2 -0.270 3.691 3.960 0.001 0.000 0.220 265 G HA3 -0.270 3.691 3.960 0.001 0.000 0.220 265 G C 0.984 175.932 174.900 0.081 0.000 1.136 265 G CA 0.776 45.929 45.100 0.088 0.000 0.759 265 G HN 0.694 nan 8.290 nan 0.000 0.562 266 N N -0.169 118.549 118.700 0.030 0.000 2.314 266 N HA 0.033 4.774 4.740 0.001 0.000 0.200 266 N C 0.554 176.004 175.510 -0.099 0.000 1.135 266 N CA -0.679 52.349 53.050 -0.036 0.000 0.835 266 N CB -0.714 37.752 38.487 -0.034 0.000 0.989 266 N HN 0.566 nan 8.380 nan 0.000 0.478 267 Y N -0.320 119.835 120.300 -0.242 0.000 2.550 267 Y HA 0.409 4.960 4.550 0.001 0.000 0.343 267 Y C -0.473 175.264 175.900 -0.272 0.000 1.245 267 Y CA -1.082 56.742 58.100 -0.460 0.000 1.462 267 Y CB 0.657 38.721 38.460 -0.660 0.000 1.340 267 Y HN -0.184 nan 8.280 nan 0.000 0.604 268 V N 4.979 124.700 119.914 -0.321 0.000 2.482 268 V HA 0.295 4.416 4.120 0.001 0.000 0.295 268 V C -0.458 175.606 176.094 -0.049 0.000 1.026 268 V CA -1.276 60.840 62.300 -0.307 0.000 0.856 268 V CB 1.375 33.099 31.823 -0.164 0.000 1.001 268 V HN 0.712 nan 8.190 nan 0.000 0.424 269 K N 4.367 124.690 120.400 -0.127 0.000 2.156 269 K HA 0.507 4.828 4.320 0.001 0.000 0.271 269 K C -0.361 176.162 176.600 -0.129 0.000 0.995 269 K CA -0.556 55.727 56.287 -0.006 0.000 0.890 269 K CB 2.047 34.605 32.500 0.097 0.000 1.073 269 K HN 0.690 nan 8.250 nan 0.000 0.454 270 M N 4.828 124.336 119.600 -0.153 0.000 2.143 270 M HA 0.095 4.576 4.480 0.001 0.000 0.348 270 M C -0.288 175.930 176.300 -0.137 0.000 1.375 270 M CA 0.032 55.198 55.300 -0.224 0.000 1.124 270 M CB 0.269 32.628 32.600 -0.402 0.000 1.669 270 M HN 0.179 nan 8.290 nan 0.000 0.469 271 R N 5.985 126.372 120.500 -0.189 0.000 2.428 271 R HA 0.671 5.012 4.340 0.001 0.000 0.294 271 R C -1.156 175.032 176.300 -0.187 0.000 1.000 271 R CA -0.291 55.652 56.100 -0.262 0.000 0.960 271 R CB 0.950 31.048 30.300 -0.337 0.000 1.076 271 R HN 0.754 nan 8.270 nan 0.000 0.475 272 F N -1.501 118.252 119.950 -0.329 0.000 2.703 272 F HA 0.367 4.895 4.527 0.001 0.000 0.308 272 F C -0.441 175.200 175.800 -0.265 0.000 1.126 272 F CA -1.076 56.734 58.000 -0.316 0.000 0.959 272 F CB 0.914 39.661 39.000 -0.421 0.000 1.297 272 F HN 0.265 nan 8.300 nan 0.000 0.441 273 L N 0.453 121.668 121.223 -0.013 0.000 2.642 273 L HA 0.385 4.726 4.340 0.001 0.000 0.233 273 L C -0.028 176.985 176.870 0.238 0.000 1.077 273 L CA 0.292 55.176 54.840 0.073 0.000 0.879 273 L CB 0.353 42.438 42.059 0.044 0.000 1.151 273 L HN 0.833 nan 8.230 nan 0.000 0.495 274 E N -0.165 120.159 120.200 0.208 0.000 2.445 274 E HA 0.575 4.926 4.350 0.001 0.000 0.279 274 E C -1.426 175.156 176.600 -0.031 0.000 1.018 274 E CA -0.972 55.519 56.400 0.151 0.000 0.816 274 E CB 1.766 31.568 29.700 0.170 0.000 1.356 274 E HN 0.094 nan 8.360 nan 0.000 0.462 275 N N -1.662 116.896 118.700 -0.236 0.000 3.339 275 N HA 0.059 4.799 4.740 0.001 0.000 0.275 275 N C 0.450 175.397 175.510 -0.939 0.000 1.514 275 N CA -0.296 52.380 53.050 -0.623 0.000 0.879 275 N CB -0.164 37.994 38.487 -0.547 0.000 1.557 275 N HN 0.707 nan 8.380 nan 0.000 0.524 276 H N -1.762 116.609 119.070 -1.165 0.000 2.489 276 H HA 0.002 4.559 4.556 0.001 0.000 0.295 276 H C -0.494 174.629 175.328 -0.342 0.000 1.082 276 H CA 1.455 56.997 56.048 -0.844 0.000 1.295 276 H CB -0.048 29.363 29.762 -0.584 0.000 1.380 276 H HN 0.534 nan 8.280 nan 0.000 0.548 277 D N 0.310 120.293 120.400 -0.695 0.000 2.349 277 D HA 0.128 4.769 4.640 0.001 0.000 0.214 277 D C -0.062 176.144 176.300 -0.155 0.000 1.063 277 D CA 0.075 53.823 54.000 -0.420 0.000 0.847 277 D CB 0.376 40.879 40.800 -0.495 0.000 0.933 277 D HN 0.374 nan 8.370 nan 0.000 0.513 278 N N -0.229 118.407 118.700 -0.108 0.000 2.321 278 N HA 0.457 5.198 4.740 0.001 0.000 0.290 278 N C -0.635 174.926 175.510 0.084 0.000 1.212 278 N CA -0.567 52.522 53.050 0.065 0.000 0.767 278 N CB 2.294 40.905 38.487 0.207 0.000 1.494 278 N HN -0.154 nan 8.380 nan 0.000 0.479 279 A N 1.085 123.987 122.820 0.138 0.000 2.507 279 A HA 0.135 4.456 4.320 0.001 0.000 0.235 279 A C 0.607 178.280 177.584 0.148 0.000 1.070 279 A CA 0.019 52.130 52.037 0.124 0.000 0.768 279 A CB 0.173 19.250 19.000 0.129 0.000 1.011 279 A HN 0.465 nan 8.150 nan 0.000 0.502 280 R N 1.406 121.983 120.500 0.129 0.000 2.734 280 R HA -0.004 4.337 4.340 0.001 0.000 0.266 280 R C 1.485 177.856 176.300 0.119 0.000 1.044 280 R CA 0.198 56.382 56.100 0.139 0.000 1.128 280 R CB -0.103 30.273 30.300 0.127 0.000 1.010 280 R HN 1.002 nan 8.270 nan 0.000 0.461 281 M N 1.977 121.647 119.600 0.117 0.000 2.103 281 M HA -0.209 4.271 4.480 0.001 0.000 0.255 281 M C 0.895 177.201 176.300 0.009 0.000 1.074 281 M CA 1.965 57.307 55.300 0.070 0.000 1.090 281 M CB 0.093 32.735 32.600 0.070 0.000 1.325 281 M HN 0.343 nan 8.290 nan 0.000 0.403 282 M N 0.054 119.666 119.600 0.020 0.000 2.639 282 M HA 0.036 4.517 4.480 0.001 0.000 0.220 282 M C 1.775 178.017 176.300 -0.097 0.000 1.155 282 M CA 0.770 56.046 55.300 -0.040 0.000 1.003 282 M CB -1.274 31.339 32.600 0.021 0.000 1.725 282 M HN 0.507 nan 8.290 nan 0.000 0.489 283 S N -1.076 114.593 115.700 -0.053 0.000 2.506 283 S HA 0.164 4.635 4.470 0.001 0.000 0.219 283 S C 1.699 176.249 174.600 -0.084 0.000 1.031 283 S CA -0.214 57.970 58.200 -0.027 0.000 0.911 283 S CB 0.030 63.282 63.200 0.088 0.000 0.812 283 S HN 0.454 nan 8.310 nan 0.000 0.497 284 L N 1.185 122.380 121.223 -0.047 0.000 2.072 284 L HA 0.234 4.574 4.340 0.001 0.000 0.205 284 L C 1.332 178.255 176.870 0.089 0.000 1.079 284 L CA 1.027 55.897 54.840 0.050 0.000 0.752 284 L CB -0.414 41.655 42.059 0.016 0.000 0.906 284 L HN 0.578 nan 8.230 nan 0.000 0.436 285 M N -3.281 116.227 119.600 -0.152 0.000 2.667 285 M HA 0.366 4.847 4.480 0.001 0.000 0.286 285 M C -0.318 175.733 176.300 -0.416 0.000 1.270 285 M CA -0.609 54.667 55.300 -0.040 0.000 0.826 285 M CB 2.461 35.161 32.600 0.166 0.000 1.743 285 M HN -0.087 nan 8.290 nan 0.000 0.460 286 H N -0.564 118.611 119.070 0.174 0.000 3.540 286 H HA 0.299 4.856 4.556 0.001 0.000 0.259 286 H C -0.423 174.963 175.328 0.097 0.000 1.197 286 H CA 0.124 56.237 56.048 0.110 0.000 1.136 286 H CB 0.782 30.596 29.762 0.087 0.000 1.605 286 H HN 0.835 nan 8.280 nan 0.000 0.657 287 S N -0.237 115.576 115.700 0.189 0.000 2.599 287 S HA 0.318 4.789 4.470 0.001 0.000 0.294 287 S C 0.864 175.539 174.600 0.124 0.000 1.094 287 S CA -0.909 57.378 58.200 0.146 0.000 0.931 287 S CB 3.578 66.861 63.200 0.139 0.000 1.093 287 S HN 0.103 nan 8.310 nan 0.000 0.488 288 K N 0.609 121.074 120.400 0.108 0.000 2.147 288 K HA -0.040 4.281 4.320 0.001 0.000 0.205 288 K C 2.061 178.719 176.600 0.097 0.000 1.049 288 K CA 1.261 57.607 56.287 0.097 0.000 0.936 288 K CB -0.677 31.876 32.500 0.089 0.000 0.722 288 K HN 0.770 nan 8.250 nan 0.000 0.446 289 A N 1.226 124.108 122.820 0.103 0.000 1.933 289 A HA -0.184 4.136 4.320 0.001 0.000 0.218 289 A C 1.745 179.409 177.584 0.133 0.000 1.175 289 A CA 1.604 53.705 52.037 0.107 0.000 0.628 289 A CB -0.343 18.718 19.000 0.101 0.000 0.814 289 A HN 0.435 nan 8.150 nan 0.000 0.444 290 E N -0.246 120.050 120.200 0.160 0.000 2.107 290 E HA -0.000 4.350 4.350 0.001 0.000 0.191 290 E C 2.269 178.945 176.600 0.126 0.000 0.982 290 E CA 0.784 57.307 56.400 0.205 0.000 0.809 290 E CB -0.266 29.619 29.700 0.307 0.000 0.756 290 E HN 0.608 nan 8.360 nan 0.000 0.459 291 A N 0.974 123.853 122.820 0.098 0.000 1.933 291 A HA -0.152 4.169 4.320 0.001 0.000 0.218 291 A C 2.483 180.116 177.584 0.083 0.000 1.175 291 A CA 1.118 53.198 52.037 0.072 0.000 0.628 291 A CB -0.675 18.368 19.000 0.071 0.000 0.814 291 A HN 0.116 nan 8.150 nan 0.000 0.444 292 V N 1.056 121.023 119.914 0.089 0.000 2.287 292 V HA -0.289 3.832 4.120 0.001 0.000 0.248 292 V C 2.345 178.508 176.094 0.116 0.000 1.053 292 V CA 2.211 64.562 62.300 0.086 0.000 1.027 292 V CB -0.927 30.944 31.823 0.081 0.000 0.646 292 V HN 0.569 nan 8.190 nan 0.000 0.447 293 N N 0.480 119.264 118.700 0.139 0.000 2.120 293 N HA -0.121 4.619 4.740 0.001 0.000 0.188 293 N C 1.675 177.312 175.510 0.211 0.000 1.024 293 N CA 1.394 54.550 53.050 0.177 0.000 0.852 293 N CB -0.459 38.143 38.487 0.191 0.000 1.003 293 N HN 0.543 nan 8.380 nan 0.000 0.424 294 N N 0.701 119.496 118.700 0.160 0.000 2.333 294 N HA 0.051 4.792 4.740 0.001 0.000 0.178 294 N C 1.891 177.527 175.510 0.212 0.000 1.018 294 N CA 0.210 53.367 53.050 0.178 0.000 0.882 294 N CB 0.153 38.639 38.487 -0.002 0.000 0.984 294 N HN 0.210 nan 8.380 nan 0.000 0.434 295 L N 0.945 122.267 121.223 0.166 0.000 2.027 295 L HA -0.115 4.226 4.340 0.001 0.000 0.206 295 L C 2.281 179.306 176.870 0.258 0.000 1.074 295 L CA 1.088 56.048 54.840 0.200 0.000 0.745 295 L CB -0.811 41.320 42.059 0.120 0.000 0.898 295 L HN 0.095 nan 8.230 nan 0.000 0.433 296 T N -0.905 113.765 114.554 0.193 0.000 2.721 296 T HA -0.299 4.052 4.350 0.001 0.000 0.268 296 T C 1.427 176.327 174.700 0.334 0.000 1.038 296 T CA 1.727 63.958 62.100 0.217 0.000 1.145 296 T CB -0.423 68.559 68.868 0.191 0.000 0.858 296 T HN 0.538 nan 8.240 nan 0.000 0.459 297 W N 2.457 123.838 121.300 0.135 0.000 2.355 297 W HA -0.147 4.513 4.660 0.001 0.000 0.309 297 W C 2.074 178.646 176.519 0.088 0.000 1.206 297 W CA 1.330 58.746 57.345 0.118 0.000 1.284 297 W CB -0.248 29.278 29.460 0.111 0.000 1.145 297 W HN 0.372 nan 8.180 nan 0.000 0.502 298 I N -2.465 118.106 120.570 0.001 0.000 2.439 298 I HA -0.194 3.977 4.170 0.001 0.000 0.251 298 I C 2.137 178.166 176.117 -0.147 0.000 1.139 298 I CA 1.382 62.560 61.300 -0.204 0.000 1.438 298 I CB -1.273 36.623 38.000 -0.174 0.000 1.085 298 I HN -0.168 nan 8.210 nan 0.000 0.427 299 F N 0.757 120.658 119.950 -0.083 0.000 2.206 299 F HA -0.025 4.502 4.527 0.001 0.000 0.298 299 F C 2.464 178.231 175.800 -0.055 0.000 1.090 299 F CA 1.217 59.180 58.000 -0.063 0.000 1.323 299 F CB -0.130 38.859 39.000 -0.018 0.000 1.028 299 F HN 0.027 nan 8.300 nan 0.000 0.492 300 M N -0.516 119.190 119.600 0.178 0.000 2.514 300 M HA 0.033 4.513 4.480 0.001 0.000 0.258 300 M C 0.494 176.904 176.300 0.183 0.000 1.119 300 M CA 0.660 56.079 55.300 0.199 0.000 1.111 300 M CB -0.865 31.889 32.600 0.258 0.000 1.390 300 M HN 0.077 nan 8.290 nan 0.000 0.475 301 Q N 0.975 120.728 119.800 -0.079 0.000 2.421 301 Q HA 0.088 4.429 4.340 0.001 0.000 0.255 301 Q C 0.370 176.248 176.000 -0.204 0.000 1.013 301 Q CA -0.007 55.691 55.803 -0.174 0.000 0.895 301 Q CB 0.862 29.296 28.738 -0.507 0.000 1.271 301 Q HN 0.167 nan 8.270 nan 0.000 0.460 302 R N 0.900 121.082 120.500 -0.531 0.000 2.446 302 R HA 0.215 4.556 4.340 0.001 0.000 0.314 302 R C -0.069 175.966 176.300 -0.441 0.000 1.003 302 R CA 0.955 56.674 56.100 -0.634 0.000 1.018 302 R CB -0.437 29.187 30.300 -1.126 0.000 0.945 302 R HN 0.837 nan 8.270 nan 0.000 0.419 303 G N 3.464 112.042 108.800 -0.371 0.000 2.332 303 G HA2 0.031 3.991 3.960 0.001 0.000 0.265 303 G HA3 0.031 3.991 3.960 0.001 0.000 0.265 303 G C -1.654 173.071 174.900 -0.292 0.000 1.329 303 G CA -0.718 44.176 45.100 -0.342 0.000 0.949 303 G HN 0.571 nan 8.290 nan 0.000 0.476 304 I N 2.468 122.873 120.570 -0.276 0.000 2.436 304 I HA 0.560 4.730 4.170 0.001 0.000 0.289 304 I C -2.269 173.648 176.117 -0.333 0.000 1.010 304 I CA -2.883 58.247 61.300 -0.284 0.000 1.098 304 I CB 2.768 40.635 38.000 -0.221 0.000 1.266 304 I HN 0.353 nan 8.210 nan 0.000 0.434 305 P HA 0.187 nan 4.420 nan 0.000 0.278 305 P C -1.247 175.848 177.300 -0.342 0.000 1.238 305 P CA -0.477 62.308 63.100 -0.525 0.000 0.794 305 P CB 1.742 32.761 31.700 -1.136 0.000 0.955 306 L N 3.948 125.053 121.223 -0.197 0.000 2.317 306 L HA 0.488 4.829 4.340 0.001 0.000 0.281 306 L C -0.760 176.113 176.870 0.005 0.000 1.024 306 L CA -0.551 54.243 54.840 -0.076 0.000 0.810 306 L CB 0.675 42.691 42.059 -0.071 0.000 1.240 306 L HN 0.174 nan 8.230 nan 0.000 0.427 307 I N 5.342 125.957 120.570 0.075 0.000 2.362 307 I HA 0.206 4.376 4.170 0.001 0.000 0.289 307 I C -0.836 175.287 176.117 0.009 0.000 0.994 307 I CA -0.533 60.843 61.300 0.127 0.000 1.158 307 I CB 1.145 39.309 38.000 0.273 0.000 1.315 307 I HN 0.585 nan 8.210 nan 0.000 0.451 308 Y N 7.144 127.355 120.300 -0.149 0.000 2.316 308 Y HA 0.212 4.763 4.550 0.001 0.000 0.331 308 Y C 0.905 176.612 175.900 -0.322 0.000 1.083 308 Y CA -1.313 56.621 58.100 -0.276 0.000 1.206 308 Y CB 0.635 39.007 38.460 -0.147 0.000 1.195 308 Y HN 0.692 nan 8.280 nan 0.000 0.497 309 N N 3.436 121.573 118.700 -0.939 0.000 2.223 309 N HA 0.165 4.906 4.740 0.001 0.000 0.271 309 N C 0.835 176.114 175.510 -0.385 0.000 1.315 309 N CA 0.676 53.344 53.050 -0.635 0.000 0.835 309 N CB 0.170 38.468 38.487 -0.315 0.000 1.066 309 N HN 1.023 nan 8.380 nan 0.000 0.486 310 G N 1.669 110.410 108.800 -0.098 0.000 2.259 310 G HA2 -0.356 3.605 3.960 0.001 0.000 0.217 310 G HA3 -0.356 3.605 3.960 0.001 0.000 0.217 310 G C 0.666 175.576 174.900 0.017 0.000 1.001 310 G CA 0.329 45.434 45.100 0.009 0.000 0.627 310 G HN 0.653 nan 8.290 nan 0.000 0.501 311 Q N 0.786 120.577 119.800 -0.016 0.000 2.135 311 Q HA -0.156 4.185 4.340 0.001 0.000 0.204 311 Q C 2.429 178.422 176.000 -0.012 0.000 0.981 311 Q CA 2.088 57.913 55.803 0.038 0.000 0.856 311 Q CB -0.195 28.588 28.738 0.074 0.000 0.902 311 Q HN 0.737 nan 8.270 nan 0.000 0.425 312 E N -0.442 119.667 120.200 -0.153 0.000 2.268 312 E HA -0.165 4.186 4.350 0.001 0.000 0.195 312 E C 0.545 176.926 176.600 -0.365 0.000 0.995 312 E CA 0.815 57.027 56.400 -0.313 0.000 0.836 312 E CB -0.153 29.255 29.700 -0.487 0.000 0.763 312 E HN 0.429 nan 8.360 nan 0.000 0.491 313 F N 0.903 120.897 119.950 0.073 0.000 2.639 313 F HA 0.389 4.917 4.527 0.001 0.000 0.300 313 F C 0.721 176.576 175.800 0.091 0.000 1.109 313 F CA -0.722 57.310 58.000 0.054 0.000 1.335 313 F CB -0.124 38.883 39.000 0.012 0.000 1.014 313 F HN -0.136 nan 8.300 nan 0.000 0.537 314 L N -0.357 120.991 121.223 0.209 0.000 3.717 314 L HA -0.251 4.090 4.340 0.001 0.000 0.411 314 L C 0.748 177.785 176.870 0.278 0.000 1.233 314 L CA 0.052 55.016 54.840 0.207 0.000 0.917 314 L CB -2.122 40.060 42.059 0.207 0.000 1.902 314 L HN 0.252 nan 8.230 nan 0.000 0.894 315 A N 0.240 123.215 122.820 0.259 0.000 2.520 315 A HA 0.216 4.537 4.320 0.001 0.000 0.235 315 A C 1.243 178.958 177.584 0.219 0.000 1.065 315 A CA 0.879 53.087 52.037 0.285 0.000 0.764 315 A CB 0.283 19.397 19.000 0.190 0.000 1.002 315 A HN 0.540 nan 8.150 nan 0.000 0.502 316 E N -0.571 119.764 120.200 0.224 0.000 2.421 316 E HA 0.031 4.382 4.350 0.001 0.000 0.209 316 E C -0.298 176.412 176.600 0.184 0.000 0.871 316 E CA 0.069 56.543 56.400 0.122 0.000 1.064 316 E CB 0.263 29.936 29.700 -0.044 0.000 1.075 316 E HN 0.860 nan 8.360 nan 0.000 0.513 317 H N 1.564 120.709 119.070 0.126 0.000 2.489 317 H HA 0.161 4.718 4.556 0.001 0.000 0.322 317 H C -0.525 174.885 175.328 0.137 0.000 1.091 317 H CA -0.316 55.803 56.048 0.119 0.000 1.291 317 H CB 0.843 30.671 29.762 0.109 0.000 1.436 317 H HN -0.153 nan 8.280 nan 0.000 0.480 318 Q N 6.636 126.213 119.800 -0.371 0.000 2.307 318 Q HA 0.220 4.561 4.340 0.001 0.000 0.261 318 Q C -2.329 173.415 176.000 -0.428 0.000 1.051 318 Q CA -1.986 53.675 55.803 -0.237 0.000 0.911 318 Q CB 0.542 29.210 28.738 -0.117 0.000 1.227 318 Q HN 0.530 nan 8.270 nan 0.000 0.418 319 P HA -0.053 nan 4.420 nan 0.000 0.267 319 P C -0.596 176.761 177.300 0.096 0.000 1.209 319 P CA 0.080 63.217 63.100 0.061 0.000 0.763 319 P CB 0.961 32.785 31.700 0.206 0.000 0.816 320 S N 2.792 118.551 115.700 0.099 0.000 2.571 320 S HA -0.048 4.423 4.470 0.001 0.000 0.298 320 S C 1.348 175.987 174.600 0.066 0.000 1.280 320 S CA -0.091 58.148 58.200 0.065 0.000 1.052 320 S CB -0.181 63.097 63.200 0.129 0.000 0.799 320 S HN 0.324 nan 8.310 nan 0.000 0.501 321 L N 4.210 125.277 121.223 -0.259 0.000 2.492 321 L HA 0.082 4.423 4.340 0.001 0.000 0.223 321 L C 0.828 177.562 176.870 -0.227 0.000 1.132 321 L CA 0.546 55.224 54.840 -0.270 0.000 0.850 321 L CB -0.312 41.392 42.059 -0.591 0.000 0.966 321 L HN 0.655 nan 8.230 nan 0.000 0.454 322 F N -1.635 118.434 119.950 0.198 0.000 2.680 322 F HA 0.230 4.759 4.527 0.002 0.000 0.290 322 F C 0.633 176.493 175.800 0.100 0.000 1.114 322 F CA -0.574 57.506 58.000 0.133 0.000 1.333 322 F CB 0.233 39.294 39.000 0.101 0.000 1.091 322 F HN -0.097 nan 8.300 nan 0.000 0.606 323 D N -0.098 120.446 120.400 0.240 0.000 2.490 323 D HA 0.237 4.878 4.640 0.001 0.000 0.232 323 D C -0.454 175.891 176.300 0.075 0.000 1.053 323 D CA -0.718 53.370 54.000 0.146 0.000 0.914 323 D CB 1.947 42.834 40.800 0.145 0.000 1.431 323 D HN -0.132 nan 8.370 nan 0.000 0.483 324 R N 0.645 121.165 120.500 0.034 0.000 2.570 324 R HA 0.072 4.413 4.340 0.001 0.000 0.277 324 R C -0.664 175.630 176.300 -0.010 0.000 1.039 324 R CA 0.559 56.648 56.100 -0.018 0.000 1.065 324 R CB 0.316 30.604 30.300 -0.020 0.000 0.964 324 R HN 0.268 nan 8.270 nan 0.000 0.428 325 D N 2.515 122.884 120.400 -0.050 0.000 3.407 325 D HA 0.066 4.707 4.640 0.001 0.000 0.291 325 D C -1.090 175.188 176.300 -0.037 0.000 1.309 325 D CA -0.203 53.800 54.000 0.005 0.000 0.747 325 D CB 0.558 41.413 40.800 0.093 0.000 1.343 325 D HN 0.462 nan 8.370 nan 0.000 0.631 326 T N 1.452 115.966 114.554 -0.067 0.000 2.923 326 T HA -0.007 4.344 4.350 0.001 0.000 0.304 326 T C 1.803 176.469 174.700 -0.057 0.000 1.044 326 T CA 0.349 62.398 62.100 -0.086 0.000 1.141 326 T CB 0.544 69.366 68.868 -0.077 0.000 1.023 326 T HN 0.373 nan 8.240 nan 0.000 0.533 327 M N 2.240 121.795 119.600 -0.076 0.000 2.428 327 M HA 0.179 4.660 4.480 0.001 0.000 0.239 327 M C 1.271 177.527 176.300 -0.072 0.000 1.121 327 M CA 0.486 55.761 55.300 -0.042 0.000 1.019 327 M CB -0.127 32.446 32.600 -0.044 0.000 1.485 327 M HN 0.342 nan 8.290 nan 0.000 0.484 328 V N 1.886 121.731 119.914 -0.115 0.000 2.453 328 V HA -0.226 3.895 4.120 0.001 0.000 0.252 328 V C 2.693 178.704 176.094 -0.140 0.000 1.068 328 V CA 2.194 64.404 62.300 -0.150 0.000 1.070 328 V CB -1.135 30.596 31.823 -0.154 0.000 0.664 328 V HN 0.733 nan 8.190 nan 0.000 0.461 329 A N -0.860 121.896 122.820 -0.107 0.000 2.275 329 A HA 0.042 4.363 4.320 0.001 0.000 0.212 329 A C 1.273 178.781 177.584 -0.128 0.000 1.201 329 A CA 0.377 52.343 52.037 -0.118 0.000 0.843 329 A CB -0.230 18.716 19.000 -0.090 0.000 0.873 329 A HN 0.443 nan 8.150 nan 0.000 0.492 330 D N 1.261 121.621 120.400 -0.066 0.000 2.845 330 D HA 0.136 4.776 4.640 0.001 0.000 0.235 330 D C -0.016 176.250 176.300 -0.058 0.000 1.158 330 D CA 0.131 54.136 54.000 0.007 0.000 0.990 330 D CB -0.496 40.389 40.800 0.142 0.000 1.094 330 D HN 0.307 nan 8.370 nan 0.000 0.486 331 R N 0.763 121.049 120.500 -0.357 0.000 2.534 331 R HA 0.393 4.733 4.340 0.001 0.000 0.301 331 R C -0.193 175.766 176.300 -0.568 0.000 0.961 331 R CA -0.716 55.231 56.100 -0.256 0.000 0.871 331 R CB 1.783 31.937 30.300 -0.243 0.000 1.170 331 R HN 0.301 nan 8.270 nan 0.000 0.446 332 H N 1.388 120.514 119.070 0.094 0.000 2.924 332 H HA 0.275 4.832 4.556 0.001 0.000 0.229 332 H C 0.426 175.809 175.328 0.091 0.000 1.345 332 H CA 0.116 56.212 56.048 0.080 0.000 1.044 332 H CB 1.504 31.319 29.762 0.088 0.000 2.221 332 H HN 1.031 nan 8.280 nan 0.000 0.574 333 G N 0.783 109.667 108.800 0.139 0.000 2.318 333 G HA2 -0.063 3.898 3.960 0.001 0.000 0.367 333 G HA3 -0.063 3.898 3.960 0.001 0.000 0.367 333 G C -1.906 173.117 174.900 0.204 0.000 1.260 333 G CA -0.676 44.510 45.100 0.142 0.000 1.055 333 G HN 0.208 nan 8.290 nan 0.000 0.484 334 D N -0.579 119.935 120.400 0.189 0.000 2.738 334 D HA 0.445 5.085 4.640 0.001 0.000 0.218 334 D C 0.646 177.024 176.300 0.130 0.000 1.345 334 D CA 0.378 54.520 54.000 0.238 0.000 0.943 334 D CB 1.400 42.339 40.800 0.231 0.000 1.514 334 D HN 1.267 nan 8.370 nan 0.000 0.585 335 V N 1.454 121.416 119.914 0.081 0.000 3.177 335 V HA 0.244 4.365 4.120 0.001 0.000 0.342 335 V C 1.577 177.664 176.094 -0.011 0.000 1.379 335 V CA 0.043 62.362 62.300 0.031 0.000 1.191 335 V CB 0.060 31.899 31.823 0.026 0.000 1.167 335 V HN 0.429 nan 8.190 nan 0.000 0.471 336 T N 2.344 116.896 114.554 -0.004 0.000 2.665 336 T HA -0.077 4.273 4.350 0.001 0.000 0.268 336 T C -0.153 174.532 174.700 -0.025 0.000 1.035 336 T CA 2.724 64.806 62.100 -0.031 0.000 1.151 336 T CB -0.960 67.917 68.868 0.016 0.000 0.862 336 T HN 0.547 nan 8.240 nan 0.000 0.438 337 P HA 0.004 nan 4.420 nan 0.000 0.217 337 P C 1.634 178.910 177.300 -0.040 0.000 1.150 337 P CA 0.501 63.593 63.100 -0.014 0.000 0.832 337 P CB -0.169 31.534 31.700 0.005 0.000 0.787 338 L N -0.531 120.666 121.223 -0.044 0.000 2.017 338 L HA -0.144 4.197 4.340 0.001 0.000 0.208 338 L C 2.211 178.982 176.870 -0.165 0.000 1.073 338 L CA 1.870 56.664 54.840 -0.078 0.000 0.745 338 L CB -1.196 40.831 42.059 -0.053 0.000 0.894 338 L HN -0.157 nan 8.230 nan 0.000 0.432 339 I N -0.819 119.651 120.570 -0.165 0.000 2.226 339 I HA -0.319 3.852 4.170 0.001 0.000 0.245 339 I C 2.552 178.541 176.117 -0.215 0.000 1.100 339 I CA 1.398 62.546 61.300 -0.253 0.000 1.374 339 I CB -0.381 37.560 38.000 -0.098 0.000 1.057 339 I HN 0.418 nan 8.210 nan 0.000 0.413 340 Q N 0.521 120.252 119.800 -0.116 0.000 2.084 340 Q HA -0.268 4.072 4.340 0.001 0.000 0.202 340 Q C 2.182 178.132 176.000 -0.085 0.000 0.978 340 Q CA 1.598 57.355 55.803 -0.077 0.000 0.844 340 Q CB -0.149 28.561 28.738 -0.047 0.000 0.898 340 Q HN 0.241 nan 8.270 nan 0.000 0.426 341 K N 1.299 121.642 120.400 -0.094 0.000 2.002 341 K HA -0.143 4.178 4.320 0.001 0.000 0.209 341 K C 1.784 178.309 176.600 -0.126 0.000 1.048 341 K CA 1.301 57.537 56.287 -0.084 0.000 0.930 341 K CB -0.441 32.021 32.500 -0.064 0.000 0.714 341 K HN 0.138 nan 8.250 nan 0.000 0.438 342 L N 0.045 121.117 121.223 -0.252 0.000 2.079 342 L HA -0.202 4.139 4.340 0.001 0.000 0.210 342 L C 2.313 179.049 176.870 -0.223 0.000 1.081 342 L CA 1.046 55.654 54.840 -0.388 0.000 0.752 342 L CB -0.478 40.985 42.059 -0.994 0.000 0.896 342 L HN 0.048 nan 8.230 nan 0.000 0.433 343 V N -0.085 119.735 119.914 -0.155 0.000 2.343 343 V HA -0.304 3.817 4.120 0.001 0.000 0.247 343 V C 2.782 178.896 176.094 0.033 0.000 1.051 343 V CA 2.404 64.745 62.300 0.069 0.000 1.036 343 V CB -0.785 31.080 31.823 0.070 0.000 0.654 343 V HN 0.723 nan 8.190 nan 0.000 0.451 344 T N -1.463 113.084 114.554 -0.011 0.000 2.821 344 T HA -0.120 4.231 4.350 0.001 0.000 0.267 344 T C 1.794 176.488 174.700 -0.010 0.000 1.046 344 T CA 1.645 63.739 62.100 -0.010 0.000 1.139 344 T CB -0.461 68.398 68.868 -0.015 0.000 0.871 344 T HN 0.402 nan 8.240 nan 0.000 0.454 345 I N 1.072 121.635 120.570 -0.011 0.000 2.142 345 I HA -0.086 4.085 4.170 0.001 0.000 0.240 345 I C 2.817 178.926 176.117 -0.013 0.000 1.078 345 I CA 1.416 62.712 61.300 -0.007 0.000 1.343 345 I CB -0.428 37.573 38.000 0.003 0.000 1.046 345 I HN 0.196 nan 8.210 nan 0.000 0.405 346 K N 1.265 121.684 120.400 0.032 0.000 2.173 346 K HA -0.240 4.081 4.320 0.001 0.000 0.207 346 K C 2.030 178.608 176.600 -0.037 0.000 1.046 346 K CA 1.668 57.973 56.287 0.031 0.000 0.929 346 K CB -0.278 32.333 32.500 0.185 0.000 0.720 346 K HN 0.375 nan 8.250 nan 0.000 0.453 347 Q N -0.224 119.563 119.800 -0.021 0.000 2.364 347 Q HA 0.006 4.347 4.340 0.001 0.000 0.207 347 Q C -0.077 175.886 176.000 -0.062 0.000 0.970 347 Q CA 0.075 55.854 55.803 -0.040 0.000 0.888 347 Q CB -0.065 28.660 28.738 -0.022 0.000 0.951 347 Q HN 0.282 nan 8.270 nan 0.000 0.469 348 L N 1.735 122.914 121.223 -0.072 0.000 2.514 348 L HA -0.049 4.292 4.340 0.001 0.000 0.280 348 L C -1.488 175.313 176.870 -0.115 0.000 1.223 348 L CA -1.074 53.715 54.840 -0.084 0.000 0.864 348 L CB 0.040 42.047 42.059 -0.086 0.000 1.118 348 L HN -0.067 nan 8.230 nan 0.000 0.494 349 P HA -0.173 nan 4.420 nan 0.000 0.218 349 P C 1.669 178.894 177.300 -0.125 0.000 1.146 349 P CA 1.140 64.183 63.100 -0.095 0.000 0.813 349 P CB 0.200 31.861 31.700 -0.065 0.000 0.778 350 L N -1.376 119.762 121.223 -0.142 0.000 2.187 350 L HA -0.159 4.182 4.340 0.001 0.000 0.213 350 L C 2.121 178.763 176.870 -0.380 0.000 1.100 350 L CA 0.921 55.661 54.840 -0.167 0.000 0.765 350 L CB -0.703 41.278 42.059 -0.130 0.000 0.904 350 L HN 0.013 nan 8.230 nan 0.000 0.437 351 L N -0.392 120.528 121.223 -0.506 0.000 2.265 351 L HA -0.163 4.178 4.340 0.001 0.000 0.215 351 L C 2.308 178.914 176.870 -0.440 0.000 1.117 351 L CA 1.543 55.918 54.840 -0.774 0.000 0.782 351 L CB -0.942 40.820 42.059 -0.496 0.000 0.914 351 L HN 0.349 nan 8.230 nan 0.000 0.441 352 R N -0.213 120.143 120.500 -0.241 0.000 2.310 352 R HA 0.187 4.528 4.340 0.001 0.000 0.202 352 R C 0.903 177.173 176.300 -0.050 0.000 0.933 352 R CA 0.055 56.075 56.100 -0.133 0.000 1.054 352 R CB 0.043 30.279 30.300 -0.107 0.000 0.985 352 R HN 0.182 nan 8.270 nan 0.000 0.489 353 A N 0.982 123.806 122.820 0.006 0.000 2.561 353 A HA 0.224 4.545 4.320 0.001 0.000 0.234 353 A C 1.429 179.084 177.584 0.118 0.000 1.055 353 A CA 0.595 52.688 52.037 0.094 0.000 0.756 353 A CB 0.332 19.438 19.000 0.178 0.000 0.986 353 A HN 0.373 nan 8.150 nan 0.000 0.505 354 A N 1.611 124.474 122.820 0.072 0.000 1.898 354 A HA -0.022 4.299 4.320 0.001 0.000 0.216 354 A C 1.148 178.788 177.584 0.094 0.000 1.181 354 A CA 1.503 53.578 52.037 0.065 0.000 0.620 354 A CB -0.310 18.713 19.000 0.038 0.000 0.819 354 A HN 0.808 nan 8.150 nan 0.000 0.442 355 D N -0.636 119.818 120.400 0.089 0.000 2.383 355 D HA 0.262 4.903 4.640 0.001 0.000 0.245 355 D C -1.310 175.037 176.300 0.079 0.000 1.263 355 D CA 0.022 54.063 54.000 0.068 0.000 0.936 355 D CB -0.253 40.569 40.800 0.036 0.000 1.053 355 D HN 0.299 nan 8.370 nan 0.000 0.507 356 Y N 3.538 123.761 120.300 -0.128 0.000 2.338 356 Y HA 0.387 4.938 4.550 0.001 0.000 0.333 356 Y C -1.356 174.396 175.900 -0.247 0.000 0.968 356 Y CA -0.705 57.200 58.100 -0.325 0.000 1.123 356 Y CB 1.164 39.431 38.460 -0.322 0.000 1.165 356 Y HN 0.143 nan 8.280 nan 0.000 0.452 357 Q N 6.693 126.068 119.800 -0.709 0.000 2.356 357 Q HA 0.514 4.854 4.340 0.001 0.000 0.270 357 Q C -1.479 174.108 176.000 -0.688 0.000 1.058 357 Q CA -0.786 54.678 55.803 -0.566 0.000 0.802 357 Q CB 3.145 31.703 28.738 -0.300 0.000 1.303 357 Q HN 0.851 nan 8.270 nan 0.000 0.444 358 L N 1.125 122.033 121.223 -0.525 0.000 2.329 358 L HA 0.897 5.237 4.340 0.001 0.000 0.279 358 L C -0.419 176.330 176.870 -0.202 0.000 1.014 358 L CA -0.876 53.758 54.840 -0.343 0.000 0.814 358 L CB 1.865 43.767 42.059 -0.262 0.000 1.257 358 L HN 0.646 nan 8.230 nan 0.000 0.424 359 A N 2.867 125.600 122.820 -0.146 0.000 2.449 359 A HA 0.757 5.078 4.320 0.001 0.000 0.302 359 A C -1.012 176.538 177.584 -0.057 0.000 1.048 359 A CA -0.509 51.471 52.037 -0.095 0.000 0.708 359 A CB 1.879 20.824 19.000 -0.091 0.000 1.274 359 A HN 0.339 nan 8.150 nan 0.000 0.410 360 V N 2.727 122.618 119.914 -0.037 0.000 2.432 360 V HA 0.499 4.620 4.120 0.001 0.000 0.275 360 V C 0.739 176.845 176.094 0.019 0.000 1.043 360 V CA 0.196 62.489 62.300 -0.011 0.000 0.925 360 V CB 0.597 32.411 31.823 -0.015 0.000 0.985 360 V HN 1.127 nan 8.190 nan 0.000 0.466 361 V N 2.215 122.162 119.914 0.054 0.000 4.114 361 V HA 0.673 4.793 4.120 0.001 0.000 0.293 361 V C -0.055 176.087 176.094 0.080 0.000 1.371 361 V CA -1.102 61.249 62.300 0.085 0.000 0.929 361 V CB 0.843 32.761 31.823 0.158 0.000 1.281 361 V HN 0.626 nan 8.190 nan 0.000 0.468 362 E N 0.840 121.092 120.200 0.087 0.000 2.652 362 E HA 0.133 4.484 4.350 0.001 0.000 0.255 362 E C 0.204 176.837 176.600 0.054 0.000 0.952 362 E CA 1.358 57.791 56.400 0.055 0.000 0.947 362 E CB -0.411 29.310 29.700 0.036 0.000 0.912 362 E HN 0.738 nan 8.360 nan 0.000 0.489 363 E N 1.525 121.749 120.200 0.039 0.000 2.883 363 E HA -0.319 4.031 4.350 0.001 0.000 0.271 363 E C 0.657 177.288 176.600 0.052 0.000 1.049 363 E CA 0.332 56.754 56.400 0.037 0.000 0.817 363 E CB -1.557 28.160 29.700 0.029 0.000 1.407 363 E HN 0.983 nan 8.360 nan 0.000 0.434 364 G N 0.053 108.888 108.800 0.058 0.000 2.143 364 G HA2 -0.331 3.630 3.960 0.001 0.000 0.248 364 G HA3 -0.331 3.630 3.960 0.001 0.000 0.248 364 G C 0.315 175.265 174.900 0.082 0.000 0.991 364 G CA 0.330 45.471 45.100 0.070 0.000 0.689 364 G HN 0.406 nan 8.290 nan 0.000 0.522 365 I N 0.519 121.144 120.570 0.092 0.000 2.692 365 I HA 0.194 4.365 4.170 0.001 0.000 0.284 365 I C 1.091 177.261 176.117 0.088 0.000 1.159 365 I CA -0.264 61.106 61.300 0.117 0.000 1.423 365 I CB 1.049 39.150 38.000 0.170 0.000 1.380 365 I HN -0.074 nan 8.210 nan 0.000 0.580 366 V N 7.142 127.087 119.914 0.050 0.000 2.498 366 V HA 0.207 4.327 4.120 0.001 0.000 0.279 366 V C 0.202 176.323 176.094 0.045 0.000 1.048 366 V CA -0.509 61.793 62.300 0.004 0.000 0.967 366 V CB 1.220 32.969 31.823 -0.122 0.000 0.988 366 V HN 0.596 nan 8.190 nan 0.000 0.473 367 K N 5.092 125.471 120.400 -0.035 0.000 2.307 367 K HA 0.619 4.939 4.320 0.001 0.000 0.263 367 K C -1.158 175.322 176.600 -0.199 0.000 0.973 367 K CA -0.570 55.591 56.287 -0.210 0.000 0.846 367 K CB 1.139 33.444 32.500 -0.326 0.000 1.100 367 K HN 0.609 nan 8.250 nan 0.000 0.438 368 I N 3.168 123.625 120.570 -0.188 0.000 2.359 368 I HA 0.249 4.420 4.170 0.001 0.000 0.294 368 I C -0.407 175.553 176.117 -0.261 0.000 0.987 368 I CA -0.542 60.636 61.300 -0.202 0.000 1.225 368 I CB 2.124 40.120 38.000 -0.006 0.000 1.366 368 I HN 0.546 nan 8.210 nan 0.000 0.466 369 T N 4.916 119.267 114.554 -0.339 0.000 2.848 369 T HA 0.500 4.851 4.350 0.001 0.000 0.285 369 T C -1.009 173.528 174.700 -0.270 0.000 0.995 369 T CA -0.570 61.395 62.100 -0.225 0.000 0.970 369 T CB 0.876 69.640 68.868 -0.173 0.000 0.976 369 T HN 0.152 nan 8.240 nan 0.000 0.441 370 Y N 1.797 122.086 120.300 -0.017 0.000 2.352 370 Y HA 0.612 5.162 4.550 0.001 0.000 0.339 370 Y C 0.766 176.636 175.900 -0.051 0.000 0.992 370 Y CA -0.996 57.111 58.100 0.011 0.000 1.100 370 Y CB 1.455 39.926 38.460 0.019 0.000 1.192 370 Y HN 0.325 nan 8.280 nan 0.000 0.458 371 R N 2.253 122.813 120.500 0.099 0.000 2.534 371 R HA 0.921 5.261 4.340 0.001 0.000 0.301 371 R C -1.386 174.933 176.300 0.032 0.000 0.961 371 R CA -1.047 55.067 56.100 0.024 0.000 0.871 371 R CB 2.003 32.307 30.300 0.007 0.000 1.170 371 R HN 0.735 nan 8.270 nan 0.000 0.446 372 A N 1.344 124.164 122.820 0.000 0.000 2.573 372 A HA 0.566 4.887 4.320 0.001 0.000 0.299 372 A C -0.601 176.975 177.584 -0.013 0.000 1.060 372 A CA -0.154 51.883 52.037 0.001 0.000 0.736 372 A CB 1.347 20.352 19.000 0.009 0.000 1.280 372 A HN 1.199 nan 8.150 nan 0.000 0.401 373 A N 0.677 123.493 122.820 -0.006 0.000 2.610 373 A HA 0.340 4.661 4.320 0.001 0.000 0.299 373 A C 2.092 179.671 177.584 -0.008 0.000 1.487 373 A CA 2.054 54.087 52.037 -0.007 0.000 0.743 373 A CB -1.804 17.189 19.000 -0.011 0.000 1.070 373 A HN 3.192 nan 8.150 nan 0.000 0.439 374 G N -1.438 107.360 108.800 -0.004 0.000 2.168 374 G HA2 -0.087 3.873 3.960 0.001 0.000 0.257 374 G HA3 -0.087 3.873 3.960 0.001 0.000 0.257 374 G C -0.106 174.786 174.900 -0.013 0.000 0.997 374 G CA 1.623 46.724 45.100 0.002 0.000 0.708 374 G HN 2.418 nan 8.290 nan 0.000 0.520 375 E N -1.415 118.756 120.200 -0.048 0.000 2.416 375 E HA 0.866 5.217 4.350 0.001 0.000 0.273 375 E C -0.373 176.105 176.600 -0.203 0.000 0.935 375 E CA -0.766 55.566 56.400 -0.114 0.000 0.784 375 E CB 1.823 31.470 29.700 -0.087 0.000 1.301 375 E HN 1.296 nan 8.360 nan 0.000 0.454 376 A N 0.867 123.418 122.820 -0.448 0.000 2.594 376 A HA 0.686 5.007 4.320 0.001 0.000 0.291 376 A C -1.972 175.270 177.584 -0.570 0.000 1.105 376 A CA -0.805 50.923 52.037 -0.515 0.000 0.694 376 A CB 1.822 20.483 19.000 -0.565 0.000 1.291 376 A HN 0.504 nan 8.150 nan 0.000 0.410 377 L N 0.760 121.850 121.223 -0.223 0.000 2.372 377 L HA 0.710 5.051 4.340 0.001 0.000 0.274 377 L C -0.635 176.269 176.870 0.057 0.000 0.988 377 L CA 0.308 55.125 54.840 -0.038 0.000 0.833 377 L CB 1.935 44.024 42.059 0.050 0.000 1.236 377 L HN 0.642 nan 8.230 nan 0.000 0.410 378 T N 4.373 118.997 114.554 0.117 0.000 2.794 378 T HA 0.817 5.168 4.350 0.001 0.000 0.280 378 T C -0.392 174.234 174.700 -0.124 0.000 0.987 378 T CA -0.272 61.749 62.100 -0.132 0.000 0.993 378 T CB 1.424 70.048 68.868 -0.407 0.000 0.939 378 T HN 0.776 nan 8.240 nan 0.000 0.449 379 A N 3.392 126.110 122.820 -0.170 0.000 2.311 379 A HA 0.596 4.917 4.320 0.001 0.000 0.306 379 A C -0.748 176.791 177.584 -0.075 0.000 1.189 379 A CA -0.816 51.233 52.037 0.021 0.000 0.791 379 A CB 0.864 19.946 19.000 0.138 0.000 1.172 379 A HN 0.849 nan 8.150 nan 0.000 0.481 380 W N 3.414 124.779 121.300 0.108 0.000 2.331 380 W HA 0.457 5.118 4.660 0.001 0.000 0.306 380 W C -0.765 175.818 176.519 0.107 0.000 1.162 380 W CA -0.398 57.000 57.345 0.089 0.000 1.232 380 W CB 1.158 30.651 29.460 0.055 0.000 1.235 380 W HN 0.429 nan 8.180 nan 0.000 0.479 381 I N 6.272 127.013 120.570 0.285 0.000 2.437 381 I HA 0.161 4.332 4.170 0.001 0.000 0.279 381 I C -2.023 174.199 176.117 0.174 0.000 1.028 381 I CA -2.057 59.383 61.300 0.233 0.000 1.142 381 I CB 1.968 40.126 38.000 0.264 0.000 1.266 381 I HN -0.033 nan 8.210 nan 0.000 0.461 382 P HA 0.237 nan 4.420 nan 0.000 0.251 382 P C 0.724 178.119 177.300 0.159 0.000 1.718 382 P CA -0.279 62.910 63.100 0.147 0.000 1.119 382 P CB 0.616 32.393 31.700 0.128 0.000 1.762 383 L N 1.341 122.667 121.223 0.173 0.000 2.191 383 L HA -0.125 4.216 4.340 0.001 0.000 0.212 383 L C 1.884 178.949 176.870 0.326 0.000 1.103 383 L CA 1.335 56.337 54.840 0.270 0.000 0.769 383 L CB -0.471 41.778 42.059 0.315 0.000 0.908 383 L HN 0.164 nan 8.230 nan 0.000 0.438 384 K N -0.039 120.460 120.400 0.164 0.000 2.374 384 K HA 0.244 4.564 4.320 0.001 0.000 0.196 384 K C 1.111 177.733 176.600 0.036 0.000 1.023 384 K CA 0.721 57.022 56.287 0.022 0.000 1.103 384 K CB 0.647 33.119 32.500 -0.047 0.000 0.848 384 K HN 0.274 nan 8.250 nan 0.000 0.528 385 G N 1.984 110.837 108.800 0.089 0.000 2.132 385 G HA2 -0.266 3.694 3.960 0.001 0.000 0.228 385 G HA3 -0.266 3.694 3.960 0.001 0.000 0.228 385 G C -0.439 174.492 174.900 0.051 0.000 1.000 385 G CA -0.263 44.881 45.100 0.073 0.000 0.693 385 G HN 0.322 nan 8.290 nan 0.000 0.515 386 Q N -0.457 119.377 119.800 0.055 0.000 2.311 386 Q HA 0.488 4.829 4.340 0.001 0.000 0.272 386 Q C 0.297 176.318 176.000 0.033 0.000 1.012 386 Q CA 0.141 55.968 55.803 0.040 0.000 0.891 386 Q CB 1.754 30.522 28.738 0.049 0.000 1.201 386 Q HN 0.251 nan 8.270 nan 0.000 0.391 387 V N 3.320 123.245 119.914 0.018 0.000 2.313 387 V HA 0.590 4.711 4.120 0.001 0.000 0.278 387 V C -0.164 175.927 176.094 -0.005 0.000 1.017 387 V CA -0.298 62.007 62.300 0.007 0.000 0.823 387 V CB 1.314 33.140 31.823 0.006 0.000 1.010 387 V HN 0.847 nan 8.190 nan 0.000 0.443 388 T N 3.492 118.036 114.554 -0.018 0.000 2.786 388 T HA 0.693 5.043 4.350 0.001 0.000 0.316 388 T C -0.842 173.821 174.700 -0.063 0.000 1.503 388 T CA 0.207 62.289 62.100 -0.029 0.000 1.019 388 T CB 1.722 70.580 68.868 -0.016 0.000 1.415 388 T HN 0.873 nan 8.240 nan 0.000 0.496 389 A N 1.695 124.475 122.820 -0.067 0.000 2.354 389 A HA 0.722 5.043 4.320 0.001 0.000 0.269 389 A C 0.191 177.703 177.584 -0.121 0.000 1.109 389 A CA -0.248 51.726 52.037 -0.104 0.000 0.800 389 A CB 0.070 19.021 19.000 -0.080 0.000 1.045 389 A HN 1.450 nan 8.150 nan 0.000 0.489 390 V N -0.588 119.201 119.914 -0.208 0.000 2.769 390 V HA 0.870 4.991 4.120 0.001 0.000 0.312 390 V C 0.317 176.307 176.094 -0.173 0.000 1.061 390 V CA -0.567 61.614 62.300 -0.197 0.000 0.931 390 V CB 1.038 32.644 31.823 -0.362 0.000 1.010 390 V HN 1.552 nan 8.190 nan 0.000 0.433 391 A N 2.436 125.230 122.820 -0.044 0.000 2.388 391 A HA 0.732 5.052 4.320 0.001 0.000 0.257 391 A C 0.314 177.927 177.584 0.049 0.000 1.095 391 A CA 0.411 52.443 52.037 -0.009 0.000 0.791 391 A CB 0.662 19.678 19.000 0.027 0.000 1.029 391 A HN 1.562 nan 8.150 nan 0.000 0.489 392 T N 0.325 114.886 114.554 0.011 0.000 2.868 392 T HA 0.426 4.777 4.350 0.001 0.000 0.306 392 T C 0.187 174.881 174.700 -0.010 0.000 1.224 392 T CA -0.640 61.489 62.100 0.049 0.000 1.012 392 T CB 1.174 70.024 68.868 -0.030 0.000 1.221 392 T HN 0.576 nan 8.240 nan 0.000 0.499 393 K N 2.002 122.387 120.400 -0.024 0.000 2.417 393 K HA 0.316 4.637 4.320 0.001 0.000 0.196 393 K C 0.327 176.885 176.600 -0.070 0.000 1.023 393 K CA -0.094 56.173 56.287 -0.034 0.000 1.122 393 K CB 0.004 32.496 32.500 -0.012 0.000 0.850 393 K HN 0.470 nan 8.250 nan 0.000 0.521 394 L N 1.934 123.070 121.223 -0.144 0.000 2.499 394 L HA 0.038 4.379 4.340 0.001 0.000 0.273 394 L C 0.577 177.441 176.870 -0.011 0.000 1.195 394 L CA -0.478 54.265 54.840 -0.162 0.000 0.882 394 L CB 0.372 42.170 42.059 -0.436 0.000 1.133 394 L HN 0.107 nan 8.230 nan 0.000 0.483 395 A N 3.457 126.325 122.820 0.079 0.000 2.498 395 A HA 0.473 4.794 4.320 0.001 0.000 0.239 395 A C 0.630 178.307 177.584 0.156 0.000 1.068 395 A CA -0.044 52.053 52.037 0.100 0.000 0.766 395 A CB 0.223 19.282 19.000 0.099 0.000 1.003 395 A HN 0.860 nan 8.150 nan 0.000 0.497 396 A N 1.195 124.073 122.820 0.096 0.000 2.547 396 A HA 0.547 4.868 4.320 0.001 0.000 0.233 396 A C 1.027 178.675 177.584 0.106 0.000 1.067 396 A CA 0.915 53.012 52.037 0.100 0.000 0.763 396 A CB -0.321 18.708 19.000 0.048 0.000 1.007 396 A HN 2.794 nan 8.150 nan 0.000 0.506 397 G N -0.862 108.004 108.800 0.109 0.000 2.369 397 G HA2 0.402 4.363 3.960 0.001 0.000 0.293 397 G HA3 0.402 4.363 3.960 0.001 0.000 0.293 397 G C -0.517 174.385 174.900 0.004 0.000 1.301 397 G CA 0.016 45.112 45.100 -0.005 0.000 0.913 397 G HN 1.413 nan 8.290 nan 0.000 0.540 398 S N -0.232 115.391 115.700 -0.129 0.000 2.422 398 S HA 0.741 5.211 4.470 0.001 0.000 0.298 398 S C -0.765 173.718 174.600 -0.195 0.000 1.118 398 S CA -0.453 57.710 58.200 -0.061 0.000 1.083 398 S CB -0.062 63.111 63.200 -0.046 0.000 0.971 398 S HN 0.451 nan 8.310 nan 0.000 0.478 399 Y N 2.041 122.356 120.300 0.026 0.000 2.487 399 Y HA 0.422 4.973 4.550 0.001 0.000 0.337 399 Y C 0.567 176.499 175.900 0.053 0.000 1.076 399 Y CA -0.907 57.223 58.100 0.050 0.000 1.115 399 Y CB 1.068 39.569 38.460 0.068 0.000 1.235 399 Y HN 0.460 nan 8.280 nan 0.000 0.468 400 Q N 2.544 122.475 119.800 0.220 0.000 2.294 400 Q HA 0.084 4.425 4.340 0.001 0.000 0.257 400 Q C -0.750 175.352 176.000 0.170 0.000 0.955 400 Q CA -0.524 55.370 55.803 0.150 0.000 0.936 400 Q CB 0.672 29.477 28.738 0.112 0.000 1.188 400 Q HN 0.591 nan 8.270 nan 0.000 0.420 401 N N 4.448 123.230 118.700 0.136 0.000 2.405 401 N HA -0.026 4.715 4.740 0.001 0.000 0.260 401 N C 0.577 176.152 175.510 0.109 0.000 1.152 401 N CA -0.027 53.102 53.050 0.132 0.000 0.948 401 N CB 0.633 39.184 38.487 0.108 0.000 1.111 401 N HN 0.608 nan 8.380 nan 0.000 0.485 402 L N 3.847 125.140 121.223 0.118 0.000 2.191 402 L HA -0.092 4.248 4.340 0.001 0.000 0.212 402 L C 1.900 178.808 176.870 0.063 0.000 1.103 402 L CA 0.852 55.744 54.840 0.086 0.000 0.769 402 L CB -0.940 41.171 42.059 0.086 0.000 0.908 402 L HN 0.591 nan 8.230 nan 0.000 0.438 403 L N -0.872 120.395 121.223 0.072 0.000 2.109 403 L HA -0.133 4.208 4.340 0.001 0.000 0.207 403 L C 2.246 179.140 176.870 0.039 0.000 1.086 403 L CA 2.167 57.038 54.840 0.051 0.000 0.760 403 L CB -0.514 41.586 42.059 0.069 0.000 0.910 403 L HN 0.506 nan 8.230 nan 0.000 0.437 404 T N -6.952 107.632 114.554 0.050 0.000 2.985 404 T HA 0.138 4.489 4.350 0.001 0.000 0.254 404 T C 0.632 175.355 174.700 0.038 0.000 1.021 404 T CA 0.278 62.402 62.100 0.042 0.000 0.957 404 T CB 0.040 68.936 68.868 0.047 0.000 1.047 404 T HN 0.265 nan 8.240 nan 0.000 0.511 405 D N 1.336 121.763 120.400 0.044 0.000 3.039 405 D HA -0.110 4.531 4.640 0.001 0.000 0.222 405 D C 0.579 176.905 176.300 0.043 0.000 1.179 405 D CA 1.339 55.365 54.000 0.043 0.000 0.880 405 D CB -1.414 39.405 40.800 0.030 0.000 1.115 405 D HN 0.741 nan 8.370 nan 0.000 0.416 406 G N 0.310 109.139 108.800 0.049 0.000 2.434 406 G HA2 0.579 4.540 3.960 0.001 0.000 0.330 406 G HA3 0.579 4.540 3.960 0.001 0.000 0.330 406 G C -2.591 172.343 174.900 0.056 0.000 1.155 406 G CA -1.053 44.074 45.100 0.045 0.000 0.917 406 G HN -0.128 nan 8.290 nan 0.000 0.493 407 P HA 0.183 nan 4.420 nan 0.000 0.271 407 P C -0.480 176.857 177.300 0.062 0.000 1.220 407 P CA 0.182 63.315 63.100 0.055 0.000 0.768 407 P CB 1.035 32.755 31.700 0.034 0.000 0.848 408 T N 3.290 117.901 114.554 0.094 0.000 2.809 408 T HA 0.242 4.592 4.350 0.001 0.000 0.284 408 T C -0.239 174.530 174.700 0.115 0.000 0.992 408 T CA -0.547 61.602 62.100 0.082 0.000 0.957 408 T CB 1.061 69.977 68.868 0.081 0.000 0.942 408 T HN 0.280 nan 8.240 nan 0.000 0.439 409 E N 2.358 122.594 120.200 0.061 0.000 2.227 409 E HA 0.356 4.707 4.350 0.001 0.000 0.282 409 E C -0.534 176.092 176.600 0.043 0.000 1.015 409 E CA -0.472 55.969 56.400 0.069 0.000 0.823 409 E CB 2.022 31.740 29.700 0.030 0.000 1.081 409 E HN 0.292 nan 8.360 nan 0.000 0.396 410 V N 3.770 123.743 119.914 0.099 0.000 2.350 410 V HA 0.245 4.366 4.120 0.001 0.000 0.276 410 V C -0.064 176.048 176.094 0.030 0.000 1.028 410 V CA -0.604 61.717 62.300 0.035 0.000 0.860 410 V CB 1.447 33.303 31.823 0.054 0.000 0.990 410 V HN 0.346 nan 8.190 nan 0.000 0.453 411 V N 3.847 123.756 119.914 -0.009 0.000 2.525 411 V HA 0.458 4.579 4.120 0.001 0.000 0.299 411 V C -0.090 175.994 176.094 -0.016 0.000 1.034 411 V CA -0.692 61.604 62.300 -0.006 0.000 0.863 411 V CB 1.551 33.367 31.823 -0.011 0.000 0.999 411 V HN 0.893 nan 8.190 nan 0.000 0.423 412 D N 4.055 124.450 120.400 -0.007 0.000 2.708 412 D HA -0.179 4.462 4.640 0.001 0.000 0.236 412 D C 1.307 177.596 176.300 -0.018 0.000 1.146 412 D CA 1.968 55.962 54.000 -0.010 0.000 0.662 412 D CB -1.005 39.788 40.800 -0.012 0.000 1.059 412 D HN 1.538 nan 8.370 nan 0.000 0.428 413 G N -0.696 108.092 108.800 -0.020 0.000 2.143 413 G HA2 -0.353 3.608 3.960 0.001 0.000 0.248 413 G HA3 -0.353 3.608 3.960 0.001 0.000 0.248 413 G C 0.268 175.135 174.900 -0.056 0.000 0.991 413 G CA 0.833 45.914 45.100 -0.031 0.000 0.689 413 G HN 0.521 nan 8.290 nan 0.000 0.522 414 K N -0.884 119.472 120.400 -0.074 0.000 2.477 414 K HA 0.802 5.123 4.320 0.001 0.000 0.255 414 K C -0.798 175.712 176.600 -0.150 0.000 0.952 414 K CA -0.894 55.325 56.287 -0.113 0.000 0.826 414 K CB 2.736 35.184 32.500 -0.085 0.000 1.331 414 K HN 0.251 nan 8.250 nan 0.000 0.437 415 L N 0.321 121.402 121.223 -0.236 0.000 2.422 415 L HA 0.505 4.846 4.340 0.001 0.000 0.264 415 L C -1.109 175.598 176.870 -0.273 0.000 0.984 415 L CA -0.372 54.301 54.840 -0.278 0.000 0.819 415 L CB 2.538 44.318 42.059 -0.466 0.000 1.330 415 L HN 0.523 nan 8.230 nan 0.000 0.410 416 T N 3.208 117.648 114.554 -0.189 0.000 2.780 416 T HA 0.375 4.726 4.350 0.001 0.000 0.294 416 T C -0.353 174.255 174.700 -0.154 0.000 0.949 416 T CA -0.168 61.845 62.100 -0.145 0.000 1.074 416 T CB 1.116 69.936 68.868 -0.080 0.000 0.910 416 T HN 0.334 nan 8.240 nan 0.000 0.501 417 V N 4.104 123.935 119.914 -0.138 0.000 2.311 417 V HA 0.220 4.340 4.120 0.001 0.000 0.275 417 V C 0.339 176.419 176.094 -0.022 0.000 1.022 417 V CA -0.630 61.624 62.300 -0.077 0.000 0.830 417 V CB 1.264 33.050 31.823 -0.062 0.000 1.012 417 V HN 0.816 nan 8.190 nan 0.000 0.452 418 D N 4.082 124.481 120.400 -0.002 0.000 3.168 418 D HA 0.369 5.010 4.640 0.001 0.000 0.255 418 D C 1.351 177.671 176.300 0.034 0.000 1.314 418 D CA 0.678 54.685 54.000 0.011 0.000 0.900 418 D CB -0.189 40.616 40.800 0.009 0.000 1.072 418 D HN 0.815 nan 8.370 nan 0.000 0.487 419 G N 0.935 109.762 108.800 0.045 0.000 2.184 419 G HA2 -0.255 3.706 3.960 0.001 0.000 0.264 419 G HA3 -0.255 3.706 3.960 0.001 0.000 0.264 419 G C 0.309 175.260 174.900 0.085 0.000 0.975 419 G CA 0.157 45.295 45.100 0.063 0.000 0.642 419 G HN 0.452 nan 8.290 nan 0.000 0.536 420 Q N -0.515 119.337 119.800 0.086 0.000 2.495 420 Q HA 0.492 4.832 4.340 0.001 0.000 0.287 420 Q C -2.865 173.206 176.000 0.119 0.000 1.078 420 Q CA -1.781 54.082 55.803 0.101 0.000 0.793 420 Q CB 2.382 31.169 28.738 0.083 0.000 1.459 420 Q HN 0.141 nan 8.270 nan 0.000 0.422 421 P HA 0.162 nan 4.420 nan 0.000 0.271 421 P C -0.791 176.617 177.300 0.179 0.000 1.218 421 P CA -0.233 62.975 63.100 0.181 0.000 0.780 421 P CB 0.594 32.406 31.700 0.186 0.000 0.901 422 V N 4.309 124.374 119.914 0.252 0.000 2.378 422 V HA 0.293 4.414 4.120 0.001 0.000 0.288 422 V C -0.258 176.065 176.094 0.382 0.000 1.016 422 V CA -0.432 62.027 62.300 0.264 0.000 0.840 422 V CB 1.157 33.087 31.823 0.179 0.000 0.994 422 V HN 0.319 nan 8.190 nan 0.000 0.431 423 L N 6.649 128.037 121.223 0.275 0.000 2.333 423 L HA 0.642 4.983 4.340 0.001 0.000 0.280 423 L C -0.425 176.600 176.870 0.259 0.000 1.004 423 L CA 0.078 55.070 54.840 0.253 0.000 0.820 423 L CB 1.600 43.763 42.059 0.174 0.000 1.247 423 L HN 0.478 nan 8.230 nan 0.000 0.416 424 I N 3.152 123.905 120.570 0.305 0.000 2.499 424 I HA 0.395 4.566 4.170 0.001 0.000 0.288 424 I C -0.407 175.923 176.117 0.355 0.000 1.048 424 I CA -0.758 60.738 61.300 0.326 0.000 1.062 424 I CB 2.139 40.334 38.000 0.325 0.000 1.238 424 I HN 0.483 nan 8.210 nan 0.000 0.426 425 K N 6.687 127.253 120.400 0.277 0.000 2.159 425 K HA 0.623 4.944 4.320 0.001 0.000 0.266 425 K C -1.692 175.071 176.600 0.272 0.000 0.975 425 K CA -0.382 55.995 56.287 0.151 0.000 0.865 425 K CB 1.351 33.887 32.500 0.060 0.000 1.087 425 K HN 0.549 nan 8.250 nan 0.000 0.446 426 Y N -0.690 119.678 120.300 0.115 0.000 2.689 426 Y HA 0.443 4.994 4.550 0.001 0.000 0.333 426 Y C -0.962 174.995 175.900 0.095 0.000 1.208 426 Y CA -1.397 56.786 58.100 0.137 0.000 1.055 426 Y CB 0.318 38.874 38.460 0.160 0.000 1.304 426 Y HN 0.147 nan 8.280 nan 0.000 0.455 427 V N 0.000 120.063 119.914 0.248 0.000 2.409 427 V HA 0.000 4.121 4.120 0.001 0.000 0.244 427 V CA 0.000 62.383 62.300 0.137 0.000 1.235 427 V CB 0.000 31.897 31.823 0.124 0.000 1.184 427 V HN 0.000 nan 8.190 nan 0.000 0.556