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 3nd0_1_A DATA FIRST_RESID 26 DATA SEQUENCE SLHPRTLVAA IVVGLITGVL GAGFKSAVNN MLQWRSQLAQ ILAPIPPLAW DATA SEQUENCE LVTALISGGM VALSFWLMKR FAPDTSGSGI PQIEGHLEGK LPLVWQRVLP DATA SEQUENCE IKLVGGFLSL GAGMLAGFEG PTIQMGGSIG QMTGGWFKAT QENQRILIAV DATA SEQUENCE GAGAGLATAF NAPLAGVALI GEEMHPRFRS QTLAYHSLLF GCVMATIILR DATA SEQUENCE MIRGQSAIIS LTEFKRVPLD SLWMFIILGI LFGVMGYTFN RGLFKVLDWF DATA SEQUENCE DRLPPLATKW KGFLLGSIIG ILSLFPLPLT DGGDNAVLWA FNSQSHFSTL DATA SEQUENCE ILVFCGRFLL TLICYGSGAI GGIFAPMLGI ASIVSVAMAR HFHLLFPSQI DATA SEQUENCE PEPAVMAIAG MGALVAATVR APLTAILLTI EMTDNYFVIL PLLVTCLVAS DATA SEQUENCE VVAEALGGKP IYTVLLERTL AKQNR 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 26 S HA 0.000 nan 4.470 nan 0.000 0.327 26 S C 0.000 174.575 174.600 -0.041 0.000 1.055 26 S CA 0.000 58.176 58.200 -0.040 0.000 1.107 26 S CB 0.000 63.184 63.200 -0.027 0.000 0.593 27 L N 0.697 121.871 121.223 -0.082 0.000 2.439 27 L HA 0.744 5.085 4.340 0.001 0.000 0.259 27 L C 0.053 176.939 176.870 0.026 0.000 1.129 27 L CA -0.260 54.544 54.840 -0.060 0.000 0.803 27 L CB -0.164 41.784 42.059 -0.184 0.000 1.161 27 L HN 0.348 nan 8.230 nan 0.000 0.462 28 H N 0.215 119.255 119.070 -0.051 0.000 2.609 28 H HA 0.431 4.988 4.556 0.001 0.000 0.344 28 H C -2.480 172.835 175.328 -0.022 0.000 1.040 28 H CA -1.865 54.165 56.048 -0.029 0.000 1.216 28 H CB 2.452 32.201 29.762 -0.022 0.000 1.529 28 H HN 0.432 nan 8.280 nan 0.000 0.519 29 P HA -0.147 nan 4.420 nan 0.000 0.212 29 P C 1.741 178.748 177.300 -0.490 0.000 1.178 29 P CA 1.053 63.932 63.100 -0.368 0.000 0.915 29 P CB 0.246 31.831 31.700 -0.191 0.000 0.788 30 R N -0.747 119.383 120.500 -0.617 0.000 2.140 30 R HA -0.145 4.196 4.340 0.001 0.000 0.250 30 R C 2.135 178.340 176.300 -0.158 0.000 1.150 30 R CA 2.145 58.107 56.100 -0.231 0.000 0.966 30 R CB -1.756 28.583 30.300 0.065 0.000 0.869 30 R HN 0.302 nan 8.270 nan 0.000 0.445 31 T N 1.679 116.053 114.554 -0.301 0.000 2.857 31 T HA -0.007 4.344 4.350 0.001 0.000 0.266 31 T C 2.040 176.616 174.700 -0.207 0.000 1.048 31 T CA 0.717 62.741 62.100 -0.126 0.000 1.139 31 T CB -0.098 68.785 68.868 0.026 0.000 0.874 31 T HN 0.143 nan 8.240 nan 0.000 0.455 32 L N 0.894 121.976 121.223 -0.235 0.000 1.989 32 L HA -0.097 4.243 4.340 0.001 0.000 0.211 32 L C 2.751 179.363 176.870 -0.431 0.000 1.071 32 L CA 1.198 55.869 54.840 -0.282 0.000 0.749 32 L CB -0.895 41.007 42.059 -0.261 0.000 0.890 32 L HN 0.164 nan 8.230 nan 0.000 0.431 33 V N 0.040 119.745 119.914 -0.348 0.000 2.490 33 V HA -0.249 3.871 4.120 0.001 0.000 0.250 33 V C 2.556 178.466 176.094 -0.306 0.000 1.061 33 V CA 1.790 63.919 62.300 -0.285 0.000 1.064 33 V CB -0.203 31.556 31.823 -0.107 0.000 0.670 33 V HN 0.415 nan 8.190 nan 0.000 0.461 34 A N 0.057 122.613 122.820 -0.440 0.000 1.902 34 A HA 0.008 4.328 4.320 0.001 0.000 0.217 34 A C 2.478 179.732 177.584 -0.549 0.000 1.181 34 A CA 2.047 53.545 52.037 -0.898 0.000 0.623 34 A CB -1.030 17.400 19.000 -0.949 0.000 0.818 34 A HN 0.908 nan 8.150 nan 0.000 0.443 35 A N 0.060 122.663 122.820 -0.361 0.000 1.933 35 A HA -0.059 4.261 4.320 0.001 0.000 0.218 35 A C 2.010 179.466 177.584 -0.214 0.000 1.175 35 A CA 1.508 53.403 52.037 -0.235 0.000 0.628 35 A CB -0.497 18.427 19.000 -0.127 0.000 0.814 35 A HN 0.411 nan 8.150 nan 0.000 0.444 36 I N 0.084 120.487 120.570 -0.278 0.000 2.151 36 I HA -0.220 3.951 4.170 0.001 0.000 0.243 36 I C 2.515 178.524 176.117 -0.180 0.000 1.080 36 I CA 1.445 62.612 61.300 -0.221 0.000 1.339 36 I CB -1.333 36.501 38.000 -0.278 0.000 1.039 36 I HN 0.167 nan 8.210 nan 0.000 0.409 37 V N 0.423 120.201 119.914 -0.228 0.000 2.295 37 V HA -0.223 3.897 4.120 0.001 0.000 0.246 37 V C 2.649 178.616 176.094 -0.213 0.000 1.049 37 V CA 1.212 63.387 62.300 -0.208 0.000 1.024 37 V CB -0.653 31.031 31.823 -0.232 0.000 0.648 37 V HN 0.162 nan 8.190 nan 0.000 0.447 38 V N 1.183 120.949 119.914 -0.248 0.000 2.214 38 V HA -0.278 3.843 4.120 0.001 0.000 0.247 38 V C 2.734 178.739 176.094 -0.148 0.000 1.051 38 V CA 2.578 64.755 62.300 -0.205 0.000 1.003 38 V CB -1.659 30.044 31.823 -0.199 0.000 0.635 38 V HN 0.601 nan 8.190 nan 0.000 0.447 39 G N -0.899 107.829 108.800 -0.120 0.000 2.503 39 G HA2 -0.290 3.670 3.960 0.001 0.000 0.221 39 G HA3 -0.290 3.670 3.960 0.001 0.000 0.221 39 G C 1.665 176.515 174.900 -0.083 0.000 1.131 39 G CA 1.285 46.335 45.100 -0.083 0.000 0.756 39 G HN 0.439 nan 8.290 nan 0.000 0.572 40 L N 0.108 121.275 121.223 -0.094 0.000 2.017 40 L HA -0.090 4.250 4.340 0.001 0.000 0.208 40 L C 2.816 179.629 176.870 -0.094 0.000 1.073 40 L CA 0.839 55.627 54.840 -0.087 0.000 0.745 40 L CB -0.176 41.826 42.059 -0.095 0.000 0.894 40 L HN 0.153 nan 8.230 nan 0.000 0.432 41 I N -0.778 119.722 120.570 -0.117 0.000 2.163 41 I HA -0.268 3.902 4.170 0.001 0.000 0.240 41 I C 2.704 178.760 176.117 -0.101 0.000 1.081 41 I CA 2.051 63.280 61.300 -0.119 0.000 1.353 41 I CB -1.745 36.164 38.000 -0.152 0.000 1.054 41 I HN 0.343 nan 8.210 nan 0.000 0.407 42 T N 0.581 115.073 114.554 -0.104 0.000 2.881 42 T HA -0.089 4.261 4.350 0.001 0.000 0.270 42 T C 1.936 176.588 174.700 -0.079 0.000 1.068 42 T CA 1.618 63.661 62.100 -0.094 0.000 1.131 42 T CB -0.584 68.227 68.868 -0.095 0.000 0.871 42 T HN 0.419 nan 8.240 nan 0.000 0.479 43 G N 0.883 109.638 108.800 -0.075 0.000 2.433 43 G HA2 -0.134 3.826 3.960 0.001 0.000 0.216 43 G HA3 -0.134 3.826 3.960 0.001 0.000 0.216 43 G C 1.693 176.557 174.900 -0.060 0.000 1.186 43 G CA 1.105 46.166 45.100 -0.065 0.000 0.779 43 G HN 0.493 nan 8.290 nan 0.000 0.543 44 V N 1.036 120.914 119.914 -0.059 0.000 2.287 44 V HA -0.133 3.988 4.120 0.001 0.000 0.248 44 V C 2.856 178.927 176.094 -0.039 0.000 1.053 44 V CA 1.175 63.445 62.300 -0.050 0.000 1.027 44 V CB -0.530 31.261 31.823 -0.054 0.000 0.646 44 V HN 0.203 nan 8.190 nan 0.000 0.447 45 L N 0.685 121.882 121.223 -0.043 0.000 1.994 45 L HA -0.107 4.233 4.340 0.001 0.000 0.208 45 L C 2.690 179.566 176.870 0.009 0.000 1.071 45 L CA 2.592 57.418 54.840 -0.023 0.000 0.745 45 L CB -2.014 40.013 42.059 -0.054 0.000 0.892 45 L HN 0.459 nan 8.230 nan 0.000 0.431 46 G N -0.732 108.050 108.800 -0.029 0.000 2.469 46 G HA2 -0.274 3.687 3.960 0.001 0.000 0.219 46 G HA3 -0.274 3.687 3.960 0.001 0.000 0.219 46 G C 1.734 176.620 174.900 -0.024 0.000 1.150 46 G CA 1.186 46.273 45.100 -0.022 0.000 0.763 46 G HN 0.524 nan 8.290 nan 0.000 0.561 47 A N 0.915 123.704 122.820 -0.052 0.000 1.845 47 A HA 0.167 4.487 4.320 0.001 0.000 0.215 47 A C 2.789 180.342 177.584 -0.051 0.000 1.195 47 A CA 2.224 54.215 52.037 -0.076 0.000 0.616 47 A CB -1.314 17.648 19.000 -0.064 0.000 0.832 47 A HN 0.612 nan 8.150 nan 0.000 0.443 48 G N -1.221 107.573 108.800 -0.010 0.000 2.469 48 G HA2 -0.285 3.676 3.960 0.001 0.000 0.219 48 G HA3 -0.285 3.676 3.960 0.001 0.000 0.219 48 G C 1.487 176.416 174.900 0.048 0.000 1.150 48 G CA 1.290 46.395 45.100 0.007 0.000 0.763 48 G HN 0.477 nan 8.290 nan 0.000 0.561 49 F N 1.558 121.478 119.950 -0.050 0.000 2.095 49 F HA -0.024 4.503 4.527 0.001 0.000 0.298 49 F C 2.685 178.496 175.800 0.018 0.000 1.104 49 F CA 1.962 59.969 58.000 0.012 0.000 1.232 49 F CB -0.128 38.884 39.000 0.019 0.000 0.987 49 F HN 0.003 nan 8.300 nan 0.000 0.475 50 K N -0.072 120.220 120.400 -0.180 0.000 2.032 50 K HA -0.151 4.169 4.320 0.001 0.000 0.209 50 K C 2.258 178.715 176.600 -0.239 0.000 1.048 50 K CA 1.729 57.702 56.287 -0.523 0.000 0.927 50 K CB -0.532 31.504 32.500 -0.773 0.000 0.712 50 K HN 0.254 nan 8.250 nan 0.000 0.441 51 S N 0.945 116.559 115.700 -0.144 0.000 2.368 51 S HA -0.157 4.313 4.470 0.001 0.000 0.225 51 S C 2.130 176.718 174.600 -0.022 0.000 1.030 51 S CA 1.284 59.445 58.200 -0.064 0.000 0.999 51 S CB -0.228 62.943 63.200 -0.047 0.000 0.844 51 S HN 0.437 nan 8.310 nan 0.000 0.459 52 A N 1.144 123.951 122.820 -0.022 0.000 1.902 52 A HA -0.048 4.273 4.320 0.001 0.000 0.217 52 A C 2.345 180.025 177.584 0.161 0.000 1.181 52 A CA 1.526 53.596 52.037 0.055 0.000 0.623 52 A CB -0.865 18.145 19.000 0.016 0.000 0.818 52 A HN 0.350 nan 8.150 nan 0.000 0.443 53 V N 0.867 120.784 119.914 0.004 0.000 2.358 53 V HA -0.233 3.887 4.120 0.001 0.000 0.246 53 V C 2.300 178.386 176.094 -0.014 0.000 1.047 53 V CA 2.050 64.301 62.300 -0.081 0.000 1.035 53 V CB -0.953 30.787 31.823 -0.138 0.000 0.658 53 V HN 0.540 nan 8.190 nan 0.000 0.452 54 N N 0.785 119.517 118.700 0.053 0.000 2.084 54 N HA -0.138 4.602 4.740 0.001 0.000 0.190 54 N C 1.700 177.247 175.510 0.062 0.000 1.030 54 N CA 1.386 54.475 53.050 0.065 0.000 0.849 54 N CB -0.642 37.887 38.487 0.071 0.000 1.012 54 N HN 0.455 nan 8.380 nan 0.000 0.423 55 N N 0.955 119.696 118.700 0.068 0.000 2.061 55 N HA -0.183 4.557 4.740 0.001 0.000 0.193 55 N C 1.727 177.317 175.510 0.133 0.000 1.030 55 N CA 0.975 54.081 53.050 0.094 0.000 0.856 55 N CB -0.376 38.156 38.487 0.075 0.000 1.023 55 N HN 0.222 nan 8.380 nan 0.000 0.424 56 M N 0.995 120.655 119.600 0.100 0.000 2.117 56 M HA -0.009 4.471 4.480 0.001 0.000 0.262 56 M C 1.910 178.270 176.300 0.101 0.000 1.065 56 M CA 1.145 56.490 55.300 0.076 0.000 1.114 56 M CB -0.507 32.033 32.600 -0.100 0.000 1.361 56 M HN 0.079 nan 8.290 nan 0.000 0.408 57 L N -0.232 121.006 121.223 0.026 0.000 1.989 57 L HA -0.279 4.061 4.340 0.001 0.000 0.211 57 L C 2.652 179.555 176.870 0.056 0.000 1.071 57 L CA 2.149 56.995 54.840 0.011 0.000 0.749 57 L CB -0.931 41.118 42.059 -0.017 0.000 0.890 57 L HN 0.531 nan 8.230 nan 0.000 0.431 58 Q N -1.194 118.656 119.800 0.083 0.000 2.172 58 Q HA -0.256 4.085 4.340 0.001 0.000 0.200 58 Q C 2.103 178.164 176.000 0.102 0.000 0.964 58 Q CA 1.461 57.308 55.803 0.074 0.000 0.855 58 Q CB -0.714 28.068 28.738 0.073 0.000 0.918 58 Q HN 0.561 nan 8.270 nan 0.000 0.444 59 W N 2.162 123.455 121.300 -0.012 0.000 2.358 59 W HA -0.055 4.605 4.660 0.001 0.000 0.303 59 W C 1.953 178.462 176.519 -0.017 0.000 1.208 59 W CA 1.590 58.932 57.345 -0.005 0.000 1.274 59 W CB 0.180 29.644 29.460 0.008 0.000 1.138 59 W HN -0.024 nan 8.180 nan 0.000 0.515 60 R N -0.445 120.163 120.500 0.181 0.000 2.148 60 R HA -0.093 4.247 4.340 0.001 0.000 0.223 60 R C 2.472 178.686 176.300 -0.144 0.000 1.088 60 R CA 1.335 57.427 56.100 -0.013 0.000 0.985 60 R CB -0.753 29.601 30.300 0.090 0.000 0.880 60 R HN 0.131 nan 8.270 nan 0.000 0.451 61 S N 0.870 116.512 115.700 -0.096 0.000 2.395 61 S HA -0.106 4.365 4.470 0.001 0.000 0.225 61 S C 1.820 176.339 174.600 -0.135 0.000 1.027 61 S CA 0.969 59.109 58.200 -0.101 0.000 0.965 61 S CB 0.170 63.338 63.200 -0.053 0.000 0.812 61 S HN 0.312 nan 8.310 nan 0.000 0.482 62 Q N 0.274 119.968 119.800 -0.176 0.000 2.187 62 Q HA 0.112 4.452 4.340 0.001 0.000 0.199 62 Q C 2.151 177.976 176.000 -0.291 0.000 0.957 62 Q CA 0.715 56.399 55.803 -0.198 0.000 0.857 62 Q CB -0.193 28.435 28.738 -0.183 0.000 0.929 62 Q HN 0.437 nan 8.270 nan 0.000 0.453 63 L N 0.438 121.377 121.223 -0.473 0.000 2.141 63 L HA -0.106 4.235 4.340 0.001 0.000 0.209 63 L C 2.067 178.775 176.870 -0.270 0.000 1.094 63 L CA 1.277 55.813 54.840 -0.507 0.000 0.763 63 L CB -0.425 41.138 42.059 -0.827 0.000 0.908 63 L HN 0.204 nan 8.230 nan 0.000 0.437 64 A N -0.949 121.744 122.820 -0.212 0.000 2.014 64 A HA -0.208 4.113 4.320 0.001 0.000 0.218 64 A C 2.052 179.588 177.584 -0.080 0.000 1.163 64 A CA 1.130 53.090 52.037 -0.128 0.000 0.652 64 A CB -0.231 18.691 19.000 -0.130 0.000 0.808 64 A HN 0.569 nan 8.150 nan 0.000 0.449 65 Q N -0.908 118.837 119.800 -0.092 0.000 2.302 65 Q HA 0.200 4.541 4.340 0.001 0.000 0.202 65 Q C 1.815 177.786 176.000 -0.049 0.000 0.936 65 Q CA 0.473 56.244 55.803 -0.053 0.000 0.886 65 Q CB -0.027 28.682 28.738 -0.048 0.000 0.986 65 Q HN 0.690 nan 8.270 nan 0.000 0.487 66 I N 0.431 120.954 120.570 -0.080 0.000 2.315 66 I HA -0.250 3.921 4.170 0.001 0.000 0.248 66 I C 1.502 177.594 176.117 -0.042 0.000 1.117 66 I CA 1.209 62.471 61.300 -0.065 0.000 1.404 66 I CB 0.108 38.052 38.000 -0.093 0.000 1.071 66 I HN 0.240 nan 8.210 nan 0.000 0.419 67 L N -0.206 120.991 121.223 -0.044 0.000 2.567 67 L HA 0.140 4.481 4.340 0.001 0.000 0.225 67 L C 2.575 179.452 176.870 0.012 0.000 1.119 67 L CA 0.130 54.961 54.840 -0.015 0.000 0.871 67 L CB -0.500 41.550 42.059 -0.015 0.000 1.036 67 L HN 0.114 nan 8.230 nan 0.000 0.459 68 A N 1.758 124.584 122.820 0.011 0.000 1.883 68 A HA -0.127 4.194 4.320 0.001 0.000 0.217 68 A C 0.251 177.858 177.584 0.038 0.000 1.186 68 A CA 1.639 53.700 52.037 0.041 0.000 0.624 68 A CB -1.734 17.285 19.000 0.032 0.000 0.822 68 A HN 0.305 nan 8.150 nan 0.000 0.444 69 P HA -0.071 nan 4.420 nan 0.000 0.216 69 P C 0.461 177.768 177.300 0.011 0.000 1.153 69 P CA 1.259 64.368 63.100 0.015 0.000 0.858 69 P CB 0.126 31.831 31.700 0.007 0.000 0.789 70 I N -1.243 119.333 120.570 0.010 0.000 2.590 70 I HA 0.309 4.479 4.170 0.001 0.000 0.283 70 I C -2.813 173.306 176.117 0.004 0.000 1.154 70 I CA -2.314 58.987 61.300 0.002 0.000 1.067 70 I CB 2.808 40.807 38.000 -0.002 0.000 1.243 70 I HN -0.172 nan 8.210 nan 0.000 0.451 71 P HA 0.502 nan 4.420 nan 0.000 0.196 71 P C -2.507 174.779 177.300 -0.023 0.000 0.878 71 P CA 0.273 63.361 63.100 -0.020 0.000 0.912 71 P CB -0.260 31.411 31.700 -0.048 0.000 1.102 72 P HA 0.163 nan 4.420 nan 0.000 0.244 72 P C 1.088 178.416 177.300 0.048 0.000 1.632 72 P CA -0.019 62.995 63.100 -0.144 0.000 0.944 72 P CB -0.154 31.208 31.700 -0.564 0.000 1.569 73 L N 0.679 121.932 121.223 0.050 0.000 2.083 73 L HA -0.043 4.297 4.340 0.001 0.000 0.209 73 L C 2.267 179.198 176.870 0.103 0.000 1.083 73 L CA 1.997 56.875 54.840 0.063 0.000 0.752 73 L CB -1.188 40.891 42.059 0.034 0.000 0.899 73 L HN 0.030 nan 8.230 nan 0.000 0.433 74 A N -1.402 121.493 122.820 0.125 0.000 2.015 74 A HA -0.196 4.124 4.320 0.001 0.000 0.219 74 A C 1.953 179.622 177.584 0.141 0.000 1.163 74 A CA 1.404 53.502 52.037 0.102 0.000 0.646 74 A CB -1.210 17.837 19.000 0.079 0.000 0.806 74 A HN 0.671 nan 8.150 nan 0.000 0.448 75 W N -0.618 120.653 121.300 -0.047 0.000 2.342 75 W HA -0.124 4.537 4.660 0.001 0.000 0.297 75 W C 1.986 178.475 176.519 -0.049 0.000 1.213 75 W CA 1.577 58.887 57.345 -0.057 0.000 1.251 75 W CB -0.594 28.842 29.460 -0.040 0.000 1.136 75 W HN 0.368 nan 8.180 nan 0.000 0.526 76 L N -0.804 120.538 121.223 0.198 0.000 2.095 76 L HA -0.079 4.262 4.340 0.001 0.000 0.204 76 L C 2.177 179.088 176.870 0.069 0.000 1.080 76 L CA 1.480 56.390 54.840 0.118 0.000 0.759 76 L CB -1.082 41.039 42.059 0.104 0.000 0.914 76 L HN -0.209 nan 8.230 nan 0.000 0.439 77 V N -0.316 119.632 119.914 0.058 0.000 2.295 77 V HA -0.297 3.823 4.120 0.001 0.000 0.246 77 V C 2.694 178.796 176.094 0.012 0.000 1.049 77 V CA 2.210 64.534 62.300 0.040 0.000 1.024 77 V CB -1.418 30.422 31.823 0.027 0.000 0.648 77 V HN 0.733 nan 8.190 nan 0.000 0.447 78 T N -1.120 113.415 114.554 -0.032 0.000 2.915 78 T HA -0.088 4.263 4.350 0.001 0.000 0.269 78 T C 1.861 176.498 174.700 -0.104 0.000 1.071 78 T CA 1.399 63.451 62.100 -0.080 0.000 1.132 78 T CB -0.367 68.411 68.868 -0.151 0.000 0.878 78 T HN 0.458 nan 8.240 nan 0.000 0.479 79 A N 1.655 124.416 122.820 -0.097 0.000 1.898 79 A HA 0.215 4.535 4.320 0.001 0.000 0.216 79 A C 2.430 179.928 177.584 -0.143 0.000 1.181 79 A CA 1.180 53.137 52.037 -0.133 0.000 0.620 79 A CB -0.790 18.163 19.000 -0.079 0.000 0.819 79 A HN 0.531 nan 8.150 nan 0.000 0.442 80 L N -0.506 120.706 121.223 -0.019 0.000 2.005 80 L HA -0.146 4.195 4.340 0.001 0.000 0.207 80 L C 2.531 179.430 176.870 0.049 0.000 1.072 80 L CA 1.232 56.117 54.840 0.077 0.000 0.744 80 L CB -0.583 41.571 42.059 0.159 0.000 0.895 80 L HN 0.357 nan 8.230 nan 0.000 0.433 81 I N -0.672 119.925 120.570 0.045 0.000 2.163 81 I HA -0.313 3.857 4.170 0.001 0.000 0.243 81 I C 2.684 178.805 176.117 0.007 0.000 1.085 81 I CA 1.330 62.668 61.300 0.064 0.000 1.347 81 I CB -0.324 37.743 38.000 0.112 0.000 1.044 81 I HN 0.204 nan 8.210 nan 0.000 0.408 82 S N 0.689 116.354 115.700 -0.058 0.000 2.345 82 S HA -0.111 4.359 4.470 0.001 0.000 0.220 82 S C 2.120 176.640 174.600 -0.134 0.000 1.031 82 S CA 1.429 59.567 58.200 -0.103 0.000 0.996 82 S CB -0.770 62.345 63.200 -0.142 0.000 0.882 82 S HN 0.633 nan 8.310 nan 0.000 0.445 83 G N 1.201 109.842 108.800 -0.265 0.000 2.446 83 G HA2 -0.122 3.839 3.960 0.001 0.000 0.217 83 G HA3 -0.122 3.839 3.960 0.001 0.000 0.217 83 G C 1.462 176.296 174.900 -0.110 0.000 1.168 83 G CA 1.109 45.936 45.100 -0.455 0.000 0.771 83 G HN 0.567 nan 8.290 nan 0.000 0.551 84 G N 0.753 109.594 108.800 0.068 0.000 2.459 84 G HA2 -0.235 3.725 3.960 0.001 0.000 0.217 84 G HA3 -0.235 3.725 3.960 0.001 0.000 0.217 84 G C 1.921 176.917 174.900 0.160 0.000 1.183 84 G CA 1.178 46.431 45.100 0.255 0.000 0.776 84 G HN 0.421 nan 8.290 nan 0.000 0.552 85 M N -0.043 119.604 119.600 0.080 0.000 2.073 85 M HA -0.116 4.365 4.480 0.001 0.000 0.258 85 M C 2.704 179.034 176.300 0.050 0.000 1.070 85 M CA 1.308 56.638 55.300 0.050 0.000 1.103 85 M CB -0.563 32.028 32.600 -0.016 0.000 1.321 85 M HN 0.110 nan 8.290 nan 0.000 0.405 86 V N 0.366 120.294 119.914 0.023 0.000 2.407 86 V HA -0.262 3.858 4.120 0.001 0.000 0.248 86 V C 2.611 178.797 176.094 0.154 0.000 1.055 86 V CA 1.916 64.222 62.300 0.010 0.000 1.049 86 V CB -1.404 30.422 31.823 0.006 0.000 0.662 86 V HN 0.533 nan 8.190 nan 0.000 0.455 87 A N -0.276 122.699 122.820 0.258 0.000 1.855 87 A HA -0.167 4.153 4.320 0.001 0.000 0.215 87 A C 2.255 180.040 177.584 0.336 0.000 1.191 87 A CA 1.915 54.178 52.037 0.377 0.000 0.613 87 A CB -0.605 18.648 19.000 0.422 0.000 0.829 87 A HN 0.472 nan 8.150 nan 0.000 0.442 88 L N -0.337 121.033 121.223 0.244 0.000 2.127 88 L HA -0.174 4.167 4.340 0.001 0.000 0.211 88 L C 2.774 179.817 176.870 0.287 0.000 1.089 88 L CA 1.746 56.730 54.840 0.240 0.000 0.757 88 L CB -0.173 41.978 42.059 0.153 0.000 0.899 88 L HN 0.496 nan 8.230 nan 0.000 0.434 89 S N -0.736 115.071 115.700 0.177 0.000 2.355 89 S HA -0.191 4.279 4.470 0.001 0.000 0.222 89 S C 1.849 176.513 174.600 0.107 0.000 1.031 89 S CA 1.147 59.394 58.200 0.078 0.000 0.993 89 S CB -0.401 62.750 63.200 -0.082 0.000 0.859 89 S HN 0.446 nan 8.310 nan 0.000 0.453 90 F N 0.316 120.359 119.950 0.157 0.000 2.269 90 F HA 0.045 4.573 4.527 0.001 0.000 0.301 90 F C 1.856 177.766 175.800 0.184 0.000 1.082 90 F CA 0.571 58.653 58.000 0.136 0.000 1.360 90 F CB -0.701 38.378 39.000 0.131 0.000 1.041 90 F HN 0.434 nan 8.300 nan 0.000 0.512 91 W N 0.290 121.740 121.300 0.250 0.000 2.408 91 W HA -0.083 4.577 4.660 0.001 0.000 0.311 91 W C 1.974 178.614 176.519 0.201 0.000 1.190 91 W CA 1.378 58.834 57.345 0.185 0.000 1.321 91 W CB -0.523 29.027 29.460 0.150 0.000 1.143 91 W HN -0.124 nan 8.180 nan 0.000 0.501 92 L N 0.450 121.864 121.223 0.319 0.000 2.261 92 L HA -0.261 4.079 4.340 0.001 0.000 0.216 92 L C 2.476 179.373 176.870 0.046 0.000 1.114 92 L CA 1.209 56.109 54.840 0.101 0.000 0.777 92 L CB -0.588 41.522 42.059 0.085 0.000 0.910 92 L HN 0.205 nan 8.230 nan 0.000 0.440 93 M N 0.178 119.824 119.600 0.077 0.000 2.074 93 M HA -0.125 4.355 4.480 0.001 0.000 0.259 93 M C 0.767 177.094 176.300 0.046 0.000 1.079 93 M CA 1.682 57.023 55.300 0.070 0.000 1.119 93 M CB 0.247 32.915 32.600 0.113 0.000 1.297 93 M HN 0.044 nan 8.290 nan 0.000 0.416 94 K N 0.392 120.794 120.400 0.004 0.000 2.323 94 K HA 0.417 4.737 4.320 0.001 0.000 0.259 94 K C -1.047 175.418 176.600 -0.226 0.000 0.947 94 K CA -0.831 55.410 56.287 -0.077 0.000 0.819 94 K CB 1.876 34.353 32.500 -0.039 0.000 1.109 94 K HN 0.037 nan 8.250 nan 0.000 0.429 95 R N 3.017 123.306 120.500 -0.352 0.000 2.254 95 R HA 0.366 4.707 4.340 0.001 0.000 0.318 95 R C -0.799 175.291 176.300 -0.351 0.000 1.031 95 R CA -0.141 55.781 56.100 -0.297 0.000 0.905 95 R CB 0.420 30.528 30.300 -0.320 0.000 1.050 95 R HN 0.939 nan 8.270 nan 0.000 0.456 96 F N -0.084 119.750 119.950 -0.193 0.000 1.733 96 F HA 0.112 4.639 4.527 0.001 0.000 0.384 96 F C -0.712 175.028 175.800 -0.099 0.000 1.044 96 F CA 0.247 58.153 58.000 -0.156 0.000 1.119 96 F CB 0.160 39.053 39.000 -0.179 0.000 1.614 96 F HN 0.553 nan 8.300 nan 0.000 0.334 97 A N 0.094 122.990 122.820 0.126 0.000 2.642 97 A HA 0.538 4.859 4.320 0.001 0.000 0.261 97 A C -2.464 175.144 177.584 0.040 0.000 1.335 97 A CA -0.405 51.670 52.037 0.062 0.000 1.073 97 A CB -0.314 18.723 19.000 0.060 0.000 1.369 97 A HN -0.015 nan 8.150 nan 0.000 0.706 98 P HA -0.136 nan 4.420 nan 0.000 0.223 98 P C 1.010 178.326 177.300 0.027 0.000 1.144 98 P CA 1.482 64.597 63.100 0.026 0.000 0.783 98 P CB 0.304 32.011 31.700 0.012 0.000 0.771 99 D N -0.690 119.726 120.400 0.027 0.000 2.265 99 D HA -0.129 4.512 4.640 0.001 0.000 0.208 99 D C 1.447 177.766 176.300 0.032 0.000 0.977 99 D CA 1.484 55.503 54.000 0.032 0.000 0.871 99 D CB -0.518 40.304 40.800 0.036 0.000 0.925 99 D HN 0.168 nan 8.370 nan 0.000 0.485 100 T N -2.962 111.606 114.554 0.024 0.000 3.129 100 T HA 0.083 4.433 4.350 0.001 0.000 0.251 100 T C 0.933 175.637 174.700 0.007 0.000 1.117 100 T CA -0.184 61.925 62.100 0.015 0.000 1.034 100 T CB -0.172 68.699 68.868 0.004 0.000 0.968 100 T HN -0.023 nan 8.240 nan 0.000 0.526 101 S N 0.641 116.346 115.700 0.009 0.000 2.533 101 S HA 0.516 4.986 4.470 0.001 0.000 0.282 101 S C 1.212 175.789 174.600 -0.038 0.000 1.304 101 S CA 0.550 58.739 58.200 -0.019 0.000 1.063 101 S CB -0.550 62.650 63.200 0.000 0.000 0.881 101 S HN 1.203 nan 8.310 nan 0.000 0.493 102 G N 3.556 112.283 108.800 -0.121 0.000 2.496 102 G HA2 -0.257 3.704 3.960 0.001 0.000 0.243 102 G HA3 -0.257 3.704 3.960 0.001 0.000 0.243 102 G C 0.685 175.708 174.900 0.205 0.000 1.176 102 G CA 0.263 45.274 45.100 -0.148 0.000 0.940 102 G HN 1.192 nan 8.290 nan 0.000 0.573 103 S N -0.702 115.259 115.700 0.435 0.000 2.121 103 S HA 0.500 4.970 4.470 0.001 0.000 0.153 103 S C 1.823 176.524 174.600 0.168 0.000 1.392 103 S CA 2.300 60.712 58.200 0.354 0.000 2.333 103 S CB 0.015 63.454 63.200 0.398 0.000 0.305 103 S HN 2.443 nan 8.310 nan 0.000 0.351 104 G N -0.951 107.905 108.800 0.094 0.000 4.195 104 G HA2 0.084 4.045 3.960 0.001 0.000 0.150 104 G HA3 0.084 4.045 3.960 0.001 0.000 0.150 104 G C 0.852 175.727 174.900 -0.041 0.000 1.058 104 G CA 0.339 45.455 45.100 0.026 0.000 0.859 104 G HN 0.452 nan 8.290 nan 0.000 0.547 105 I N 2.291 122.772 120.570 -0.148 0.000 2.163 105 I HA -0.008 4.162 4.170 0.001 0.000 0.243 105 I C -0.191 175.812 176.117 -0.190 0.000 1.085 105 I CA 1.570 62.693 61.300 -0.295 0.000 1.347 105 I CB -0.784 36.724 38.000 -0.820 0.000 1.044 105 I HN 0.107 nan 8.210 nan 0.000 0.408 106 P HA -0.165 nan 4.420 nan 0.000 0.215 106 P C 1.605 178.930 177.300 0.041 0.000 1.153 106 P CA 1.325 64.439 63.100 0.023 0.000 0.853 106 P CB 0.007 31.783 31.700 0.127 0.000 0.788 107 Q N -1.223 118.602 119.800 0.041 0.000 2.119 107 Q HA -0.071 4.270 4.340 0.001 0.000 0.201 107 Q C 1.941 177.979 176.000 0.062 0.000 0.972 107 Q CA 1.250 57.087 55.803 0.057 0.000 0.847 107 Q CB -0.877 27.893 28.738 0.053 0.000 0.903 107 Q HN 0.217 nan 8.270 nan 0.000 0.433 108 I N 0.047 120.632 120.570 0.025 0.000 2.480 108 I HA -0.131 4.039 4.170 0.001 0.000 0.251 108 I C 2.129 178.273 176.117 0.044 0.000 1.124 108 I CA 0.961 62.274 61.300 0.020 0.000 1.444 108 I CB -0.277 37.712 38.000 -0.019 0.000 1.098 108 I HN 0.241 nan 8.210 nan 0.000 0.428 109 E N 0.543 120.756 120.200 0.022 0.000 2.153 109 E HA -0.184 4.167 4.350 0.001 0.000 0.194 109 E C 2.280 178.912 176.600 0.053 0.000 0.988 109 E CA 1.245 57.663 56.400 0.030 0.000 0.811 109 E CB -0.231 29.481 29.700 0.020 0.000 0.746 109 E HN 0.511 nan 8.360 nan 0.000 0.466 110 G N -0.392 108.449 108.800 0.068 0.000 2.454 110 G HA2 -0.313 3.647 3.960 0.001 0.000 0.214 110 G HA3 -0.313 3.647 3.960 0.001 0.000 0.214 110 G C 1.353 176.310 174.900 0.096 0.000 1.217 110 G CA 1.089 46.231 45.100 0.071 0.000 0.799 110 G HN 0.451 nan 8.290 nan 0.000 0.538 111 H N -0.120 118.962 119.070 0.019 0.000 2.319 111 H HA 0.020 4.576 4.556 0.001 0.000 0.297 111 H C 2.347 177.687 175.328 0.019 0.000 1.097 111 H CA 1.152 57.214 56.048 0.024 0.000 1.285 111 H CB -0.144 29.639 29.762 0.035 0.000 1.368 111 H HN 0.140 nan 8.280 nan 0.000 0.495 112 L N 0.770 122.160 121.223 0.279 0.000 2.551 112 L HA -0.122 4.218 4.340 0.001 0.000 0.230 112 L C 1.560 178.461 176.870 0.052 0.000 1.163 112 L CA 1.671 56.614 54.840 0.171 0.000 0.826 112 L CB -0.484 41.620 42.059 0.075 0.000 0.943 112 L HN 0.616 nan 8.230 nan 0.000 0.452 113 E N -1.987 118.234 120.200 0.035 0.000 2.601 113 E HA 0.175 4.526 4.350 0.001 0.000 0.219 113 E C 1.227 177.816 176.600 -0.018 0.000 0.964 113 E CA 0.569 56.964 56.400 -0.009 0.000 1.050 113 E CB 0.715 30.413 29.700 -0.003 0.000 1.068 113 E HN 0.390 nan 8.360 nan 0.000 0.496 114 G N 1.545 110.324 108.800 -0.035 0.000 3.178 114 G HA2 -0.257 3.703 3.960 0.001 0.000 0.200 114 G HA3 -0.257 3.703 3.960 0.001 0.000 0.200 114 G C -0.556 174.302 174.900 -0.069 0.000 1.831 114 G CA -0.220 44.843 45.100 -0.061 0.000 1.470 114 G HN 0.169 nan 8.290 nan 0.000 0.591 115 K N 1.397 121.778 120.400 -0.033 0.000 2.527 115 K HA 0.627 4.947 4.320 0.001 0.000 0.278 115 K C 0.650 177.239 176.600 -0.019 0.000 0.981 115 K CA 0.525 56.799 56.287 -0.022 0.000 1.009 115 K CB 0.407 32.906 32.500 -0.002 0.000 0.895 115 K HN 1.394 nan 8.250 nan 0.000 0.493 116 L N 0.627 121.839 121.223 -0.018 0.000 1.827 116 L HA -0.141 4.199 4.340 0.001 0.000 0.479 116 L C -2.409 174.454 176.870 -0.012 0.000 1.002 116 L CA -0.752 54.091 54.840 0.004 0.000 1.221 116 L CB -0.097 41.985 42.059 0.039 0.000 1.417 116 L HN 0.681 nan 8.230 nan 0.000 0.749 117 P HA 0.514 nan 4.420 nan 0.000 0.283 117 P C -1.451 175.957 177.300 0.180 0.000 1.271 117 P CA -0.693 62.424 63.100 0.029 0.000 0.841 117 P CB 1.865 33.572 31.700 0.012 0.000 1.122 118 L N 2.075 123.498 121.223 0.332 0.000 2.446 118 L HA 0.406 4.747 4.340 0.001 0.000 0.268 118 L C -1.107 175.880 176.870 0.194 0.000 0.975 118 L CA -0.867 54.133 54.840 0.268 0.000 0.848 118 L CB 1.419 43.628 42.059 0.250 0.000 1.225 118 L HN 0.188 nan 8.230 nan 0.000 0.410 119 V N 2.952 122.929 119.914 0.106 0.000 2.334 119 V HA 0.375 4.496 4.120 0.001 0.000 0.281 119 V C 0.732 176.850 176.094 0.039 0.000 1.016 119 V CA -0.427 61.897 62.300 0.039 0.000 0.832 119 V CB 0.696 32.487 31.823 -0.054 0.000 0.999 119 V HN 1.054 nan 8.190 nan 0.000 0.439 120 W N 5.340 126.655 121.300 0.026 0.000 2.363 120 W HA -0.116 4.545 4.660 0.001 0.000 0.296 120 W C 1.843 178.369 176.519 0.012 0.000 1.212 120 W CA 1.738 59.089 57.345 0.009 0.000 1.260 120 W CB -0.507 28.957 29.460 0.007 0.000 1.131 120 W HN 0.662 nan 8.180 nan 0.000 0.530 121 Q N 0.869 120.236 119.800 -0.722 0.000 2.297 121 Q HA -0.119 4.222 4.340 0.001 0.000 0.208 121 Q C 1.863 177.773 176.000 -0.151 0.000 0.981 121 Q CA 1.631 57.142 55.803 -0.487 0.000 0.876 121 Q CB -0.696 27.669 28.738 -0.621 0.000 0.921 121 Q HN 0.542 nan 8.270 nan 0.000 0.446 122 R N -0.065 120.377 120.500 -0.097 0.000 2.121 122 R HA 0.132 4.473 4.340 0.001 0.000 0.206 122 R C 2.476 178.782 176.300 0.009 0.000 1.094 122 R CA 0.613 56.703 56.100 -0.017 0.000 1.055 122 R CB 0.116 30.414 30.300 -0.003 0.000 0.964 122 R HN 0.043 nan 8.270 nan 0.000 0.473 123 V N 2.390 122.319 119.914 0.026 0.000 2.223 123 V HA -0.270 3.850 4.120 0.001 0.000 0.244 123 V C 2.466 178.575 176.094 0.024 0.000 1.045 123 V CA 1.581 63.900 62.300 0.031 0.000 1.000 123 V CB -0.589 31.263 31.823 0.049 0.000 0.635 123 V HN 0.308 nan 8.190 nan 0.000 0.445 124 L N 1.247 122.512 121.223 0.070 0.000 2.011 124 L HA -0.178 4.163 4.340 0.001 0.000 0.225 124 L C 0.434 177.311 176.870 0.012 0.000 1.084 124 L CA 3.161 58.038 54.840 0.060 0.000 0.791 124 L CB -2.292 39.868 42.059 0.168 0.000 0.898 124 L HN 0.337 nan 8.230 nan 0.000 0.440 125 P HA -0.121 nan 4.420 nan 0.000 0.215 125 P C 2.052 179.317 177.300 -0.059 0.000 1.157 125 P CA 1.104 64.188 63.100 -0.026 0.000 0.856 125 P CB 0.031 31.710 31.700 -0.036 0.000 0.786 126 I N 0.422 120.948 120.570 -0.073 0.000 2.286 126 I HA -0.159 4.012 4.170 0.001 0.000 0.245 126 I C 2.544 178.636 176.117 -0.042 0.000 1.104 126 I CA 1.452 62.698 61.300 -0.090 0.000 1.397 126 I CB -1.042 36.906 38.000 -0.087 0.000 1.072 126 I HN -0.146 nan 8.210 nan 0.000 0.417 127 K N 0.759 121.136 120.400 -0.038 0.000 2.063 127 K HA -0.166 4.155 4.320 0.001 0.000 0.208 127 K C 2.034 178.592 176.600 -0.070 0.000 1.048 127 K CA 1.635 57.891 56.287 -0.051 0.000 0.928 127 K CB -0.633 31.826 32.500 -0.069 0.000 0.713 127 K HN 0.315 nan 8.250 nan 0.000 0.442 128 L N -0.367 120.811 121.223 -0.076 0.000 1.950 128 L HA -0.148 4.192 4.340 0.001 0.000 0.210 128 L C 2.032 178.994 176.870 0.152 0.000 1.079 128 L CA 1.377 56.189 54.840 -0.047 0.000 0.754 128 L CB -0.463 41.572 42.059 -0.041 0.000 0.889 128 L HN 0.025 nan 8.230 nan 0.000 0.433 129 V N 0.319 120.283 119.914 0.082 0.000 2.324 129 V HA -0.268 3.852 4.120 0.001 0.000 0.250 129 V C 2.548 178.750 176.094 0.180 0.000 1.060 129 V CA 2.002 64.366 62.300 0.107 0.000 1.042 129 V CB -1.474 30.353 31.823 0.006 0.000 0.650 129 V HN 0.718 nan 8.190 nan 0.000 0.450 130 G N -0.285 108.575 108.800 0.100 0.000 2.394 130 G HA2 -0.086 3.874 3.960 0.001 0.000 0.215 130 G HA3 -0.086 3.874 3.960 0.001 0.000 0.215 130 G C 1.617 176.584 174.900 0.112 0.000 1.165 130 G CA 0.801 45.951 45.100 0.082 0.000 0.784 130 G HN 0.586 nan 8.290 nan 0.000 0.535 131 G N 0.475 109.372 108.800 0.162 0.000 2.422 131 G HA2 -0.172 3.789 3.960 0.001 0.000 0.218 131 G HA3 -0.172 3.789 3.960 0.001 0.000 0.218 131 G C 1.594 176.731 174.900 0.394 0.000 1.146 131 G CA 0.889 46.135 45.100 0.244 0.000 0.769 131 G HN 0.385 nan 8.290 nan 0.000 0.547 132 F N 1.360 121.525 119.950 0.358 0.000 2.102 132 F HA -0.021 4.506 4.527 0.001 0.000 0.298 132 F C 2.378 178.193 175.800 0.024 0.000 1.105 132 F CA 1.286 59.375 58.000 0.149 0.000 1.239 132 F CB -0.208 38.874 39.000 0.137 0.000 0.991 132 F HN 0.060 nan 8.300 nan 0.000 0.474 133 L N -0.588 120.663 121.223 0.045 0.000 2.017 133 L HA -0.229 4.112 4.340 0.001 0.000 0.208 133 L C 2.800 179.562 176.870 -0.181 0.000 1.073 133 L CA 1.535 56.314 54.840 -0.101 0.000 0.745 133 L CB -1.234 40.867 42.059 0.071 0.000 0.894 133 L HN 0.271 nan 8.230 nan 0.000 0.432 134 S N 0.189 115.816 115.700 -0.121 0.000 2.344 134 S HA -0.169 4.301 4.470 0.001 0.000 0.217 134 S C 1.956 176.449 174.600 -0.179 0.000 1.033 134 S CA 1.382 59.490 58.200 -0.154 0.000 1.017 134 S CB -0.207 62.903 63.200 -0.150 0.000 0.941 134 S HN 0.163 nan 8.310 nan 0.000 0.430 135 L N 1.642 122.763 121.223 -0.170 0.000 2.042 135 L HA 0.050 4.390 4.340 0.001 0.000 0.210 135 L C 2.738 179.427 176.870 -0.301 0.000 1.076 135 L CA 1.927 56.629 54.840 -0.229 0.000 0.749 135 L CB -1.443 40.480 42.059 -0.225 0.000 0.893 135 L HN 0.493 nan 8.230 nan 0.000 0.432 136 G N -1.388 107.146 108.800 -0.443 0.000 2.470 136 G HA2 -0.156 3.804 3.960 0.001 0.000 0.220 136 G HA3 -0.156 3.804 3.960 0.001 0.000 0.220 136 G C 1.565 176.275 174.900 -0.318 0.000 1.121 136 G CA 0.719 45.508 45.100 -0.520 0.000 0.766 136 G HN 0.491 nan 8.290 nan 0.000 0.553 137 A N -0.522 122.142 122.820 -0.260 0.000 2.169 137 A HA 0.474 4.794 4.320 0.001 0.000 0.212 137 A C 1.900 179.393 177.584 -0.151 0.000 1.153 137 A CA 1.343 53.278 52.037 -0.171 0.000 0.756 137 A CB -0.242 18.672 19.000 -0.144 0.000 0.813 137 A HN 1.544 nan 8.150 nan 0.000 0.471 138 G N -1.633 107.068 108.800 -0.165 0.000 2.135 138 G HA2 -0.158 3.802 3.960 0.001 0.000 0.183 138 G HA3 -0.158 3.802 3.960 0.001 0.000 0.183 138 G C 0.054 174.873 174.900 -0.135 0.000 1.004 138 G CA 0.048 45.060 45.100 -0.147 0.000 0.677 138 G HN 0.178 nan 8.290 nan 0.000 0.512 139 M N 0.366 119.883 119.600 -0.138 0.000 2.245 139 M HA 0.215 4.695 4.480 0.001 0.000 0.330 139 M C 1.407 177.648 176.300 -0.098 0.000 1.098 139 M CA -0.217 55.017 55.300 -0.110 0.000 1.172 139 M CB 0.166 32.697 32.600 -0.114 0.000 1.467 139 M HN 0.009 nan 8.290 nan 0.000 0.454 140 L N 2.249 123.436 121.223 -0.060 0.000 2.650 140 L HA 0.240 4.581 4.340 0.001 0.000 0.239 140 L C 0.229 177.091 176.870 -0.013 0.000 1.412 140 L CA 0.022 54.839 54.840 -0.039 0.000 1.219 140 L CB -1.973 40.076 42.059 -0.017 0.000 1.534 140 L HN 0.749 nan 8.230 nan 0.000 0.430 141 A N -0.642 122.145 122.820 -0.055 0.000 2.599 141 A HA 0.832 5.153 4.320 0.001 0.000 0.290 141 A C 0.132 177.600 177.584 -0.194 0.000 1.101 141 A CA 0.129 52.143 52.037 -0.038 0.000 0.674 141 A CB 1.889 20.905 19.000 0.027 0.000 1.277 141 A HN 0.285 nan 8.150 nan 0.000 0.419 142 G N -0.885 107.766 108.800 -0.249 0.000 3.231 142 G HA2 0.278 4.238 3.960 0.001 0.000 0.232 142 G HA3 0.278 4.238 3.960 0.001 0.000 0.232 142 G C 0.116 175.054 174.900 0.063 0.000 2.928 142 G CA 0.087 45.182 45.100 -0.007 0.000 0.879 142 G HN 0.619 nan 8.290 nan 0.000 0.424 143 F N 1.959 121.967 119.950 0.096 0.000 2.087 143 F HA -0.171 4.357 4.527 0.001 0.000 0.299 143 F C 2.776 178.591 175.800 0.026 0.000 1.100 143 F CA 1.958 60.007 58.000 0.081 0.000 1.226 143 F CB 0.020 38.985 39.000 -0.059 0.000 0.983 143 F HN 0.491 nan 8.300 nan 0.000 0.479 144 E N 0.525 120.827 120.200 0.170 0.000 2.463 144 E HA -0.092 4.258 4.350 0.001 0.000 0.201 144 E C 2.170 178.841 176.600 0.118 0.000 1.045 144 E CA 1.025 57.481 56.400 0.093 0.000 0.872 144 E CB -1.244 28.545 29.700 0.148 0.000 0.797 144 E HN 0.421 nan 8.360 nan 0.000 0.538 145 G N 2.193 111.089 108.800 0.159 0.000 2.547 145 G HA2 -0.133 3.827 3.960 0.001 0.000 0.214 145 G HA3 -0.133 3.827 3.960 0.001 0.000 0.214 145 G C -0.704 174.226 174.900 0.051 0.000 1.254 145 G CA 0.690 45.872 45.100 0.136 0.000 0.817 145 G HN 0.332 nan 8.290 nan 0.000 0.551 146 P HA -0.097 nan 4.420 nan 0.000 0.215 146 P C 2.348 179.530 177.300 -0.197 0.000 1.153 146 P CA 2.610 65.616 63.100 -0.157 0.000 0.853 146 P CB -0.394 31.078 31.700 -0.381 0.000 0.788 147 T N -3.044 111.428 114.554 -0.138 0.000 2.867 147 T HA -0.083 4.268 4.350 0.001 0.000 0.268 147 T C 1.862 176.508 174.700 -0.090 0.000 1.057 147 T CA 0.995 63.019 62.100 -0.127 0.000 1.136 147 T CB -1.209 67.618 68.868 -0.069 0.000 0.874 147 T HN 0.037 nan 8.240 nan 0.000 0.466 148 I N 0.487 121.023 120.570 -0.057 0.000 2.500 148 I HA -0.065 4.105 4.170 0.001 0.000 0.252 148 I C 3.086 179.172 176.117 -0.052 0.000 1.142 148 I CA 0.997 62.267 61.300 -0.051 0.000 1.451 148 I CB -0.301 37.677 38.000 -0.037 0.000 1.093 148 I HN 0.309 nan 8.210 nan 0.000 0.430 149 Q N 0.321 120.092 119.800 -0.048 0.000 2.096 149 Q HA -0.108 4.233 4.340 0.001 0.000 0.197 149 Q C 2.368 178.336 176.000 -0.053 0.000 0.964 149 Q CA 1.202 56.981 55.803 -0.041 0.000 0.838 149 Q CB 0.106 28.829 28.738 -0.024 0.000 0.906 149 Q HN 0.474 nan 8.270 nan 0.000 0.444 150 M N -0.583 118.966 119.600 -0.085 0.000 2.202 150 M HA -0.132 4.348 4.480 0.001 0.000 0.262 150 M C 2.048 178.298 176.300 -0.083 0.000 1.063 150 M CA 1.448 56.693 55.300 -0.091 0.000 1.097 150 M CB -0.401 32.107 32.600 -0.153 0.000 1.382 150 M HN 0.279 nan 8.290 nan 0.000 0.413 151 G N -0.027 108.721 108.800 -0.086 0.000 2.433 151 G HA2 -0.139 3.822 3.960 0.001 0.000 0.216 151 G HA3 -0.139 3.822 3.960 0.001 0.000 0.216 151 G C 1.500 176.350 174.900 -0.082 0.000 1.186 151 G CA 0.914 45.963 45.100 -0.085 0.000 0.779 151 G HN 0.542 nan 8.290 nan 0.000 0.543 152 G N 0.724 109.482 108.800 -0.070 0.000 2.440 152 G HA2 -0.191 3.769 3.960 0.001 0.000 0.218 152 G HA3 -0.191 3.769 3.960 0.001 0.000 0.218 152 G C 2.150 177.005 174.900 -0.074 0.000 1.154 152 G CA 1.591 46.644 45.100 -0.077 0.000 0.767 152 G HN 0.432 nan 8.290 nan 0.000 0.552 153 S N 0.671 116.350 115.700 -0.036 0.000 2.351 153 S HA -0.092 4.379 4.470 0.001 0.000 0.220 153 S C 2.281 176.837 174.600 -0.072 0.000 1.035 153 S CA 1.199 59.415 58.200 0.027 0.000 1.031 153 S CB -0.316 62.935 63.200 0.086 0.000 0.928 153 S HN 0.387 nan 8.310 nan 0.000 0.433 154 I N 1.641 122.137 120.570 -0.122 0.000 2.264 154 I HA -0.171 3.999 4.170 0.001 0.000 0.248 154 I C 2.689 178.675 176.117 -0.219 0.000 1.111 154 I CA 1.146 62.323 61.300 -0.205 0.000 1.382 154 I CB -0.953 36.946 38.000 -0.168 0.000 1.060 154 I HN 0.385 nan 8.210 nan 0.000 0.418 155 G N -0.024 108.680 108.800 -0.160 0.000 2.440 155 G HA2 -0.318 3.642 3.960 0.001 0.000 0.218 155 G HA3 -0.318 3.642 3.960 0.001 0.000 0.218 155 G C 1.572 176.385 174.900 -0.145 0.000 1.154 155 G CA 0.840 45.851 45.100 -0.149 0.000 0.767 155 G HN 0.441 nan 8.290 nan 0.000 0.552 156 Q N -0.559 119.167 119.800 -0.123 0.000 2.049 156 Q HA -0.007 4.334 4.340 0.001 0.000 0.198 156 Q C 2.453 178.332 176.000 -0.201 0.000 0.971 156 Q CA 1.071 56.833 55.803 -0.070 0.000 0.833 156 Q CB -0.273 28.489 28.738 0.040 0.000 0.896 156 Q HN 0.470 nan 8.270 nan 0.000 0.434 157 M N 0.666 119.982 119.600 -0.473 0.000 2.108 157 M HA -0.192 4.288 4.480 0.001 0.000 0.257 157 M C 1.990 177.939 176.300 -0.585 0.000 1.071 157 M CA 2.427 57.043 55.300 -1.139 0.000 1.093 157 M CB -0.320 31.509 32.600 -1.286 0.000 1.345 157 M HN 0.424 nan 8.290 nan 0.000 0.403 158 T N -3.337 111.019 114.554 -0.329 0.000 3.043 158 T HA 0.115 4.465 4.350 0.001 0.000 0.263 158 T C 1.819 176.521 174.700 0.003 0.000 1.094 158 T CA 0.802 62.816 62.100 -0.143 0.000 1.127 158 T CB -0.856 67.858 68.868 -0.258 0.000 0.905 158 T HN 0.510 nan 8.240 nan 0.000 0.490 159 G N 1.342 110.103 108.800 -0.066 0.000 2.422 159 G HA2 0.062 4.023 3.960 0.001 0.000 0.218 159 G HA3 0.062 4.023 3.960 0.001 0.000 0.218 159 G C 1.622 176.598 174.900 0.126 0.000 1.146 159 G CA 0.635 45.745 45.100 0.016 0.000 0.769 159 G HN 0.629 nan 8.290 nan 0.000 0.547 160 G N -0.115 108.747 108.800 0.103 0.000 2.404 160 G HA2 -0.218 3.743 3.960 0.001 0.000 0.215 160 G HA3 -0.218 3.743 3.960 0.001 0.000 0.215 160 G C 1.593 176.615 174.900 0.202 0.000 1.174 160 G CA 0.852 46.042 45.100 0.150 0.000 0.780 160 G HN 0.368 nan 8.290 nan 0.000 0.537 161 W N 0.865 122.189 121.300 0.040 0.000 2.325 161 W HA -0.065 4.595 4.660 0.001 0.000 0.299 161 W C 1.555 178.126 176.519 0.086 0.000 1.215 161 W CA 0.841 58.224 57.345 0.063 0.000 1.244 161 W CB -0.475 29.026 29.460 0.070 0.000 1.140 161 W HN 0.221 nan 8.180 nan 0.000 0.523 162 F N 0.922 121.038 119.950 0.277 0.000 2.780 162 F HA 0.052 4.579 4.527 0.001 0.000 0.299 162 F C 1.213 177.065 175.800 0.086 0.000 1.146 162 F CA 1.188 59.297 58.000 0.182 0.000 1.428 162 F CB -0.545 38.524 39.000 0.115 0.000 1.115 162 F HN -0.305 nan 8.300 nan 0.000 0.583 163 K N -0.140 120.384 120.400 0.206 0.000 3.096 163 K HA -0.186 4.134 4.320 0.001 0.000 0.266 163 K C -0.015 176.665 176.600 0.133 0.000 1.043 163 K CA 0.657 57.016 56.287 0.119 0.000 0.758 163 K CB -1.836 30.696 32.500 0.053 0.000 1.260 163 K HN 0.223 nan 8.250 nan 0.000 0.481 164 A N 0.522 123.436 122.820 0.158 0.000 2.388 164 A HA 0.479 4.800 4.320 0.001 0.000 0.257 164 A C 1.112 178.746 177.584 0.084 0.000 1.095 164 A CA 0.282 52.395 52.037 0.127 0.000 0.791 164 A CB 0.254 19.318 19.000 0.107 0.000 1.029 164 A HN 0.550 nan 8.150 nan 0.000 0.489 165 T N -0.078 114.512 114.554 0.059 0.000 2.640 165 T HA 0.003 4.353 4.350 0.001 0.000 0.316 165 T C 1.161 175.893 174.700 0.053 0.000 1.036 165 T CA 0.606 62.730 62.100 0.039 0.000 1.009 165 T CB 0.308 69.180 68.868 0.007 0.000 1.017 165 T HN 0.651 nan 8.240 nan 0.000 0.530 166 Q N 0.459 120.288 119.800 0.050 0.000 1.975 166 Q HA -0.165 4.175 4.340 0.001 0.000 0.205 166 Q C 2.260 178.308 176.000 0.080 0.000 0.990 166 Q CA 2.424 58.266 55.803 0.065 0.000 0.845 166 Q CB -0.645 28.125 28.738 0.053 0.000 0.913 166 Q HN 0.866 nan 8.270 nan 0.000 0.420 167 E N 0.479 120.723 120.200 0.072 0.000 2.058 167 E HA -0.160 4.191 4.350 0.001 0.000 0.194 167 E C 1.767 178.417 176.600 0.083 0.000 0.997 167 E CA 1.332 57.791 56.400 0.099 0.000 0.801 167 E CB -0.262 29.488 29.700 0.084 0.000 0.746 167 E HN 0.344 nan 8.360 nan 0.000 0.450 168 N N 0.364 119.091 118.700 0.045 0.000 2.149 168 N HA -0.175 4.565 4.740 0.001 0.000 0.188 168 N C 1.605 177.130 175.510 0.024 0.000 1.019 168 N CA 0.898 53.962 53.050 0.023 0.000 0.857 168 N CB -0.137 38.376 38.487 0.044 0.000 0.997 168 N HN 0.214 nan 8.380 nan 0.000 0.426 169 Q N 0.324 120.157 119.800 0.055 0.000 2.172 169 Q HA 0.035 4.376 4.340 0.001 0.000 0.200 169 Q C 1.783 177.830 176.000 0.078 0.000 0.964 169 Q CA 0.633 56.471 55.803 0.058 0.000 0.855 169 Q CB 0.184 28.974 28.738 0.087 0.000 0.918 169 Q HN 0.390 nan 8.270 nan 0.000 0.444 170 R N 0.190 120.770 120.500 0.132 0.000 2.070 170 R HA -0.125 4.215 4.340 0.001 0.000 0.233 170 R C 2.359 178.782 176.300 0.204 0.000 1.137 170 R CA 1.148 57.374 56.100 0.210 0.000 0.945 170 R CB -0.568 29.917 30.300 0.308 0.000 0.845 170 R HN 0.294 nan 8.270 nan 0.000 0.430 171 I N 1.317 121.939 120.570 0.086 0.000 2.091 171 I HA -0.345 3.826 4.170 0.001 0.000 0.239 171 I C 2.486 178.562 176.117 -0.068 0.000 1.061 171 I CA 1.561 62.771 61.300 -0.150 0.000 1.317 171 I CB -0.433 37.389 38.000 -0.296 0.000 1.031 171 I HN 0.154 nan 8.210 nan 0.000 0.401 172 L N 0.253 121.438 121.223 -0.063 0.000 2.127 172 L HA -0.246 4.094 4.340 0.001 0.000 0.211 172 L C 2.496 179.326 176.870 -0.067 0.000 1.089 172 L CA 1.431 56.219 54.840 -0.087 0.000 0.757 172 L CB -0.484 41.506 42.059 -0.115 0.000 0.899 172 L HN 0.289 nan 8.230 nan 0.000 0.434 173 I N -0.343 120.207 120.570 -0.034 0.000 2.252 173 I HA -0.249 3.922 4.170 0.001 0.000 0.245 173 I C 2.807 178.917 176.117 -0.012 0.000 1.102 173 I CA 1.061 62.331 61.300 -0.050 0.000 1.385 173 I CB -0.446 37.500 38.000 -0.089 0.000 1.064 173 I HN 0.196 nan 8.210 nan 0.000 0.414 174 A N 0.616 123.473 122.820 0.062 0.000 1.877 174 A HA -0.147 4.173 4.320 0.001 0.000 0.216 174 A C 2.440 180.050 177.584 0.043 0.000 1.186 174 A CA 1.600 53.701 52.037 0.108 0.000 0.620 174 A CB -0.990 18.189 19.000 0.298 0.000 0.822 174 A HN 0.217 nan 8.150 nan 0.000 0.443 175 V N 0.089 120.006 119.914 0.004 0.000 2.282 175 V HA -0.270 3.851 4.120 0.001 0.000 0.249 175 V C 2.813 178.882 176.094 -0.041 0.000 1.057 175 V CA 2.188 64.473 62.300 -0.025 0.000 1.032 175 V CB -1.507 30.282 31.823 -0.058 0.000 0.645 175 V HN 0.633 nan 8.190 nan 0.000 0.447 176 G N -0.790 107.976 108.800 -0.058 0.000 2.418 176 G HA2 -0.203 3.758 3.960 0.001 0.000 0.217 176 G HA3 -0.203 3.758 3.960 0.001 0.000 0.217 176 G C 1.754 176.620 174.900 -0.057 0.000 1.158 176 G CA 1.085 46.142 45.100 -0.072 0.000 0.771 176 G HN 0.637 nan 8.290 nan 0.000 0.545 177 A N 0.855 123.651 122.820 -0.040 0.000 1.873 177 A HA 0.190 4.510 4.320 0.001 0.000 0.215 177 A C 2.717 180.280 177.584 -0.034 0.000 1.186 177 A CA 2.059 54.075 52.037 -0.036 0.000 0.616 177 A CB -1.079 17.909 19.000 -0.020 0.000 0.823 177 A HN 0.510 nan 8.150 nan 0.000 0.442 178 G N -0.463 108.326 108.800 -0.019 0.000 2.421 178 G HA2 0.004 3.964 3.960 0.001 0.000 0.216 178 G HA3 0.004 3.964 3.960 0.001 0.000 0.216 178 G C 1.753 176.632 174.900 -0.034 0.000 1.171 178 G CA 1.458 46.544 45.100 -0.022 0.000 0.775 178 G HN 0.813 nan 8.290 nan 0.000 0.543 179 A N 0.888 123.684 122.820 -0.039 0.000 1.978 179 A HA 0.129 4.449 4.320 0.001 0.000 0.220 179 A C 2.683 180.234 177.584 -0.055 0.000 1.170 179 A CA 2.100 54.109 52.037 -0.047 0.000 0.636 179 A CB -1.030 17.937 19.000 -0.055 0.000 0.810 179 A HN 0.540 nan 8.150 nan 0.000 0.448 180 G N -0.126 108.638 108.800 -0.060 0.000 2.446 180 G HA2 -0.188 3.773 3.960 0.001 0.000 0.217 180 G HA3 -0.188 3.773 3.960 0.001 0.000 0.217 180 G C 1.501 176.361 174.900 -0.067 0.000 1.168 180 G CA 1.264 46.323 45.100 -0.068 0.000 0.771 180 G HN 0.502 nan 8.290 nan 0.000 0.551 181 L N 1.270 122.461 121.223 -0.055 0.000 2.027 181 L HA 0.202 4.543 4.340 0.001 0.000 0.206 181 L C 3.090 179.969 176.870 0.015 0.000 1.074 181 L CA 2.134 56.956 54.840 -0.030 0.000 0.745 181 L CB -0.670 41.350 42.059 -0.064 0.000 0.898 181 L HN 0.231 nan 8.230 nan 0.000 0.433 182 A N -1.724 121.093 122.820 -0.005 0.000 1.978 182 A HA -0.206 4.115 4.320 0.001 0.000 0.220 182 A C 2.224 179.798 177.584 -0.017 0.000 1.170 182 A CA 2.257 54.298 52.037 0.007 0.000 0.636 182 A CB -1.096 17.894 19.000 -0.016 0.000 0.810 182 A HN 0.531 nan 8.150 nan 0.000 0.448 183 T N -0.340 114.178 114.554 -0.060 0.000 2.985 183 T HA 0.181 4.532 4.350 0.001 0.000 0.266 183 T C 2.037 176.637 174.700 -0.166 0.000 1.076 183 T CA 1.029 63.072 62.100 -0.094 0.000 1.135 183 T CB -0.148 68.663 68.868 -0.094 0.000 0.890 183 T HN 0.558 nan 8.240 nan 0.000 0.480 184 A N 0.198 122.873 122.820 -0.242 0.000 2.067 184 A HA 0.270 4.591 4.320 0.001 0.000 0.217 184 A C 1.142 178.312 177.584 -0.690 0.000 1.156 184 A CA 0.703 52.433 52.037 -0.511 0.000 0.683 184 A CB -0.294 18.319 19.000 -0.645 0.000 0.808 184 A HN 0.503 nan 8.150 nan 0.000 0.455 185 F N -1.607 118.338 119.950 -0.008 0.000 2.825 185 F HA 0.272 4.800 4.527 0.001 0.000 0.322 185 F C 0.592 176.385 175.800 -0.012 0.000 1.127 185 F CA -0.650 57.354 58.000 0.007 0.000 1.164 185 F CB -0.114 38.895 39.000 0.014 0.000 1.101 185 F HN 0.206 nan 8.300 nan 0.000 0.529 186 N N 2.185 120.934 118.700 0.083 0.000 2.714 186 N HA -0.231 4.510 4.740 0.001 0.000 0.252 186 N C -0.652 174.894 175.510 0.060 0.000 1.014 186 N CA 0.812 53.889 53.050 0.044 0.000 0.735 186 N CB -0.820 37.685 38.487 0.031 0.000 0.924 186 N HN 0.383 nan 8.380 nan 0.000 0.540 187 A N 0.289 123.153 122.820 0.073 0.000 2.815 187 A HA 0.581 4.901 4.320 0.001 0.000 0.318 187 A C -1.643 175.950 177.584 0.015 0.000 1.186 187 A CA -0.990 51.076 52.037 0.049 0.000 0.754 187 A CB 1.281 20.327 19.000 0.076 0.000 1.151 187 A HN 0.187 nan 8.150 nan 0.000 0.452 188 P HA -0.198 nan 4.420 nan 0.000 0.210 188 P C 1.719 178.992 177.300 -0.045 0.000 1.185 188 P CA 1.029 64.109 63.100 -0.032 0.000 0.924 188 P CB 0.063 31.735 31.700 -0.046 0.000 0.786 189 L N -1.224 119.966 121.223 -0.055 0.000 2.089 189 L HA -0.282 4.059 4.340 0.001 0.000 0.213 189 L C 2.466 179.303 176.870 -0.054 0.000 1.079 189 L CA 1.833 56.632 54.840 -0.068 0.000 0.758 189 L CB -1.337 40.683 42.059 -0.065 0.000 0.891 189 L HN -0.007 nan 8.230 nan 0.000 0.433 190 A N 0.556 123.354 122.820 -0.035 0.000 1.865 190 A HA -0.163 4.158 4.320 0.001 0.000 0.217 190 A C 2.447 180.009 177.584 -0.036 0.000 1.191 190 A CA 1.893 53.911 52.037 -0.031 0.000 0.623 190 A CB -1.396 17.586 19.000 -0.029 0.000 0.826 190 A HN 0.442 nan 8.150 nan 0.000 0.444 191 G N -0.821 107.960 108.800 -0.033 0.000 2.475 191 G HA2 -0.120 3.840 3.960 0.001 0.000 0.220 191 G HA3 -0.120 3.840 3.960 0.001 0.000 0.220 191 G C 1.466 176.348 174.900 -0.031 0.000 1.125 191 G CA 1.362 46.441 45.100 -0.035 0.000 0.755 191 G HN 0.347 nan 8.290 nan 0.000 0.565 192 V N 1.291 121.175 119.914 -0.050 0.000 2.283 192 V HA -0.034 4.086 4.120 0.001 0.000 0.243 192 V C 3.297 179.356 176.094 -0.059 0.000 1.039 192 V CA 1.853 64.109 62.300 -0.075 0.000 1.016 192 V CB -0.895 30.842 31.823 -0.142 0.000 0.650 192 V HN 0.446 nan 8.190 nan 0.000 0.449 193 A N -0.027 122.760 122.820 -0.055 0.000 1.978 193 A HA -0.228 4.093 4.320 0.001 0.000 0.220 193 A C 2.147 179.751 177.584 0.034 0.000 1.170 193 A CA 2.177 54.202 52.037 -0.020 0.000 0.636 193 A CB -0.620 18.372 19.000 -0.014 0.000 0.810 193 A HN 0.454 nan 8.150 nan 0.000 0.448 194 L N -0.278 120.964 121.223 0.031 0.000 1.944 194 L HA -0.189 4.151 4.340 0.001 0.000 0.218 194 L C 2.160 179.084 176.870 0.090 0.000 1.075 194 L CA 2.235 57.111 54.840 0.061 0.000 0.767 194 L CB -0.726 41.340 42.059 0.011 0.000 0.890 194 L HN 0.296 nan 8.230 nan 0.000 0.434 195 I N 0.401 121.023 120.570 0.086 0.000 2.248 195 I HA -0.233 3.937 4.170 0.001 0.000 0.248 195 I C 2.405 178.640 176.117 0.197 0.000 1.107 195 I CA 1.669 63.051 61.300 0.137 0.000 1.373 195 I CB -1.456 36.645 38.000 0.169 0.000 1.055 195 I HN 0.439 nan 8.210 nan 0.000 0.418 196 G N -0.759 108.155 108.800 0.190 0.000 2.505 196 G HA2 -0.242 3.718 3.960 0.001 0.000 0.214 196 G HA3 -0.242 3.718 3.960 0.001 0.000 0.214 196 G C 1.524 176.563 174.900 0.232 0.000 1.237 196 G CA 0.842 46.099 45.100 0.262 0.000 0.802 196 G HN 0.429 nan 8.290 nan 0.000 0.549 197 E N -0.111 120.168 120.200 0.132 0.000 1.993 197 E HA -0.045 4.305 4.350 0.001 0.000 0.198 197 E C 0.848 177.520 176.600 0.120 0.000 0.999 197 E CA 0.299 56.752 56.400 0.089 0.000 0.850 197 E CB -0.117 29.628 29.700 0.075 0.000 0.796 197 E HN 0.202 nan 8.360 nan 0.000 0.482 198 E N 0.384 120.672 120.200 0.146 0.000 2.392 198 E HA -0.063 4.287 4.350 0.001 0.000 0.259 198 E C 0.070 176.767 176.600 0.162 0.000 1.108 198 E CA 0.233 56.737 56.400 0.173 0.000 0.916 198 E CB 0.918 30.760 29.700 0.236 0.000 0.989 198 E HN 0.471 nan 8.360 nan 0.000 0.432 199 M N 2.828 122.517 119.600 0.148 0.000 2.360 199 M HA -0.274 4.206 4.480 0.001 0.000 0.202 199 M C -1.022 175.343 176.300 0.108 0.000 0.390 199 M CA 0.434 55.796 55.300 0.103 0.000 0.470 199 M CB -1.158 31.482 32.600 0.066 0.000 1.637 199 M HN 0.552 nan 8.290 nan 0.000 0.885 200 H N 2.309 121.393 119.070 0.024 0.000 3.082 200 H HA 0.476 5.033 4.556 0.001 0.000 0.275 200 H C -2.091 173.186 175.328 -0.086 0.000 1.032 200 H CA -0.650 55.395 56.048 -0.004 0.000 1.477 200 H CB 0.597 30.370 29.762 0.018 0.000 1.520 200 H HN 0.315 nan 8.280 nan 0.000 0.521 201 P HA 0.320 nan 4.420 nan 0.000 0.287 201 P C 0.308 177.103 177.300 -0.841 0.000 1.296 201 P CA -0.679 62.010 63.100 -0.686 0.000 0.811 201 P CB 2.002 33.104 31.700 -0.998 0.000 1.211 202 R N -0.911 119.161 120.500 -0.714 0.000 2.033 202 R HA 0.277 4.618 4.340 0.001 0.000 0.219 202 R C 0.023 176.145 176.300 -0.297 0.000 1.223 202 R CA 0.164 56.014 56.100 -0.416 0.000 0.971 202 R CB -0.612 29.565 30.300 -0.204 0.000 0.855 202 R HN 0.443 nan 8.270 nan 0.000 0.452 203 F N 1.290 121.206 119.950 -0.055 0.000 2.146 203 F HA -0.242 4.285 4.527 0.001 0.000 0.375 203 F C 0.117 175.895 175.800 -0.037 0.000 1.135 203 F CA -0.111 57.867 58.000 -0.037 0.000 1.259 203 F CB -0.418 38.557 39.000 -0.041 0.000 1.902 203 F HN 0.303 nan 8.300 nan 0.000 0.753 204 R N 1.935 122.525 120.500 0.150 0.000 2.473 204 R HA 0.468 4.809 4.340 0.001 0.000 0.303 204 R C -0.048 176.283 176.300 0.051 0.000 1.002 204 R CA -0.385 55.757 56.100 0.071 0.000 0.884 204 R CB 1.545 31.869 30.300 0.040 0.000 1.173 204 R HN 0.346 nan 8.270 nan 0.000 0.464 205 S N 2.713 118.433 115.700 0.034 0.000 2.582 205 S HA 0.043 4.513 4.470 0.001 0.000 0.234 205 S C 0.004 174.622 174.600 0.030 0.000 0.961 205 S CA -0.238 57.982 58.200 0.032 0.000 0.953 205 S CB 0.418 63.628 63.200 0.016 0.000 0.800 205 S HN 0.624 nan 8.310 nan 0.000 0.471 206 Q N 1.458 121.280 119.800 0.036 0.000 3.025 206 Q HA 0.064 4.405 4.340 0.001 0.000 0.251 206 Q C 1.075 177.074 176.000 -0.002 0.000 1.348 206 Q CA 0.015 55.821 55.803 0.006 0.000 0.906 206 Q CB -0.444 28.288 28.738 -0.009 0.000 1.764 206 Q HN 0.148 nan 8.270 nan 0.000 0.535 207 T N 0.584 115.134 114.554 -0.007 0.000 3.113 207 T HA 0.006 4.357 4.350 0.001 0.000 0.263 207 T C 0.911 175.517 174.700 -0.157 0.000 1.143 207 T CA 0.268 62.337 62.100 -0.051 0.000 1.090 207 T CB 0.143 68.954 68.868 -0.095 0.000 0.922 207 T HN 0.328 nan 8.240 nan 0.000 0.521 208 L N 1.700 122.878 121.223 -0.075 0.000 2.922 208 L HA 0.362 4.702 4.340 0.001 0.000 0.244 208 L C 1.889 178.781 176.870 0.037 0.000 1.324 208 L CA 0.153 55.005 54.840 0.019 0.000 1.172 208 L CB -1.440 40.614 42.059 -0.008 0.000 1.545 208 L HN 0.255 nan 8.230 nan 0.000 0.438 209 A N -1.742 121.037 122.820 -0.069 0.000 2.169 209 A HA -0.110 4.210 4.320 0.001 0.000 0.212 209 A C 1.767 179.413 177.584 0.104 0.000 1.153 209 A CA 0.221 52.172 52.037 -0.144 0.000 0.756 209 A CB -0.238 18.363 19.000 -0.665 0.000 0.813 209 A HN 0.337 nan 8.150 nan 0.000 0.471 210 Y N 0.492 120.807 120.300 0.024 0.000 2.081 210 Y HA -0.282 4.268 4.550 0.001 0.000 0.280 210 Y C 2.439 178.334 175.900 -0.009 0.000 1.163 210 Y CA 1.755 59.868 58.100 0.022 0.000 1.135 210 Y CB -1.284 37.193 38.460 0.028 0.000 0.970 210 Y HN 0.560 nan 8.280 nan 0.000 0.498 211 H N -1.130 118.028 119.070 0.147 0.000 2.352 211 H HA -0.138 4.419 4.556 0.001 0.000 0.299 211 H C 2.430 177.836 175.328 0.131 0.000 1.097 211 H CA 1.873 57.964 56.048 0.070 0.000 1.311 211 H CB -0.422 29.394 29.762 0.090 0.000 1.377 211 H HN 0.150 nan 8.280 nan 0.000 0.504 212 S N 0.189 116.030 115.700 0.234 0.000 2.356 212 S HA -0.122 4.348 4.470 0.001 0.000 0.223 212 S C 2.267 176.925 174.600 0.098 0.000 1.032 212 S CA 1.036 59.324 58.200 0.146 0.000 1.005 212 S CB -0.338 62.868 63.200 0.011 0.000 0.867 212 S HN 0.232 nan 8.310 nan 0.000 0.449 213 L N 1.173 122.431 121.223 0.057 0.000 1.955 213 L HA -0.169 4.172 4.340 0.001 0.000 0.213 213 L C 2.392 179.262 176.870 -0.000 0.000 1.072 213 L CA 1.335 56.187 54.840 0.021 0.000 0.755 213 L CB -0.827 41.241 42.059 0.015 0.000 0.888 213 L HN 0.280 nan 8.230 nan 0.000 0.432 214 L N -1.438 119.756 121.223 -0.047 0.000 1.963 214 L HA -0.301 4.040 4.340 0.001 0.000 0.220 214 L C 2.615 179.457 176.870 -0.047 0.000 1.076 214 L CA 1.504 56.278 54.840 -0.111 0.000 0.772 214 L CB -0.812 41.108 42.059 -0.232 0.000 0.892 214 L HN 0.081 nan 8.230 nan 0.000 0.435 215 F N 0.741 120.659 119.950 -0.054 0.000 2.063 215 F HA -0.258 4.270 4.527 0.001 0.000 0.298 215 F C 2.460 178.222 175.800 -0.064 0.000 1.105 215 F CA 1.715 59.685 58.000 -0.050 0.000 1.215 215 F CB -1.335 37.641 39.000 -0.039 0.000 0.972 215 F HN 0.070 nan 8.300 nan 0.000 0.483 216 G N -1.516 107.372 108.800 0.147 0.000 2.418 216 G HA2 -0.260 3.700 3.960 0.001 0.000 0.217 216 G HA3 -0.260 3.700 3.960 0.001 0.000 0.217 216 G C 1.832 176.736 174.900 0.006 0.000 1.158 216 G CA 1.152 46.271 45.100 0.032 0.000 0.771 216 G HN 0.476 nan 8.290 nan 0.000 0.545 217 C N -0.144 119.155 119.300 -0.001 0.000 2.440 217 C HA 0.052 4.512 4.460 0.001 0.000 0.278 217 C C 3.052 178.031 174.990 -0.019 0.000 1.295 217 C CA 0.520 59.525 59.018 -0.022 0.000 1.738 217 C CB -0.857 26.861 27.740 -0.037 0.000 1.987 217 C HN 0.288 nan 8.230 nan 0.000 0.492 218 V N 1.019 120.927 119.914 -0.010 0.000 2.220 218 V HA -0.318 3.803 4.120 0.001 0.000 0.246 218 V C 2.581 178.677 176.094 0.004 0.000 1.049 218 V CA 2.056 64.350 62.300 -0.009 0.000 1.003 218 V CB -0.669 31.152 31.823 -0.003 0.000 0.634 218 V HN 0.426 nan 8.190 nan 0.000 0.444 219 M N -0.163 119.453 119.600 0.027 0.000 2.106 219 M HA -0.220 4.261 4.480 0.001 0.000 0.259 219 M C 2.386 178.674 176.300 -0.020 0.000 1.068 219 M CA 2.385 57.688 55.300 0.006 0.000 1.100 219 M CB -1.697 30.902 32.600 -0.001 0.000 1.351 219 M HN 0.455 nan 8.290 nan 0.000 0.404 220 A N 0.331 123.135 122.820 -0.027 0.000 1.865 220 A HA -0.204 4.117 4.320 0.001 0.000 0.217 220 A C 2.327 179.888 177.584 -0.038 0.000 1.191 220 A CA 3.039 55.052 52.037 -0.041 0.000 0.623 220 A CB -1.302 17.672 19.000 -0.044 0.000 0.826 220 A HN 0.631 nan 8.150 nan 0.000 0.444 221 T N -1.937 112.598 114.554 -0.031 0.000 2.904 221 T HA -0.002 4.348 4.350 0.001 0.000 0.267 221 T C 1.842 176.525 174.700 -0.027 0.000 1.059 221 T CA 1.181 63.264 62.100 -0.029 0.000 1.137 221 T CB -0.580 68.274 68.868 -0.023 0.000 0.879 221 T HN 0.338 nan 8.240 nan 0.000 0.467 222 I N 1.012 121.568 120.570 -0.023 0.000 2.099 222 I HA -0.154 4.016 4.170 0.001 0.000 0.239 222 I C 2.590 178.692 176.117 -0.025 0.000 1.066 222 I CA 1.328 62.616 61.300 -0.020 0.000 1.324 222 I CB -0.453 37.538 38.000 -0.014 0.000 1.037 222 I HN 0.182 nan 8.210 nan 0.000 0.401 223 I N 0.428 120.980 120.570 -0.030 0.000 2.194 223 I HA -0.294 3.876 4.170 0.001 0.000 0.246 223 I C 2.601 178.696 176.117 -0.038 0.000 1.093 223 I CA 1.646 62.925 61.300 -0.035 0.000 1.355 223 I CB -1.132 36.842 38.000 -0.042 0.000 1.046 223 I HN 0.294 nan 8.210 nan 0.000 0.413 224 L N 1.015 122.213 121.223 -0.042 0.000 2.079 224 L HA -0.184 4.156 4.340 0.001 0.000 0.210 224 L C 2.601 179.447 176.870 -0.040 0.000 1.081 224 L CA 1.803 56.614 54.840 -0.049 0.000 0.752 224 L CB -0.518 41.508 42.059 -0.054 0.000 0.896 224 L HN 0.116 nan 8.230 nan 0.000 0.433 225 R N -1.475 119.007 120.500 -0.031 0.000 2.161 225 R HA 0.047 4.387 4.340 0.001 0.000 0.213 225 R C 2.115 178.402 176.300 -0.022 0.000 1.055 225 R CA 1.233 57.319 56.100 -0.024 0.000 0.996 225 R CB -0.236 30.052 30.300 -0.019 0.000 0.901 225 R HN 0.417 nan 8.270 nan 0.000 0.456 226 M N -0.008 119.578 119.600 -0.024 0.000 2.319 226 M HA -0.050 4.430 4.480 0.001 0.000 0.265 226 M C 1.858 178.144 176.300 -0.023 0.000 1.068 226 M CA 1.507 56.795 55.300 -0.021 0.000 1.118 226 M CB 0.095 32.682 32.600 -0.022 0.000 1.395 226 M HN 0.106 nan 8.290 nan 0.000 0.435 227 I N -0.317 120.236 120.570 -0.028 0.000 2.731 227 I HA -0.121 4.050 4.170 0.001 0.000 0.260 227 I C 1.803 177.903 176.117 -0.030 0.000 1.138 227 I CA 0.899 62.181 61.300 -0.030 0.000 1.461 227 I CB 0.016 37.994 38.000 -0.037 0.000 1.128 227 I HN 0.320 nan 8.210 nan 0.000 0.438 228 R N 0.043 120.524 120.500 -0.033 0.000 2.504 228 R HA 0.309 4.649 4.340 0.001 0.000 0.341 228 R C 1.028 177.314 176.300 -0.023 0.000 0.905 228 R CA -0.005 56.077 56.100 -0.030 0.000 1.133 228 R CB -0.478 29.794 30.300 -0.046 0.000 1.704 228 R HN 0.077 nan 8.270 nan 0.000 0.503 229 G N 1.255 110.042 108.800 -0.022 0.000 2.527 229 G HA2 -0.141 3.819 3.960 0.001 0.000 0.279 229 G HA3 -0.141 3.819 3.960 0.001 0.000 0.279 229 G C 0.054 174.949 174.900 -0.008 0.000 1.374 229 G CA -0.102 44.989 45.100 -0.015 0.000 1.053 229 G HN 0.285 nan 8.290 nan 0.000 0.539 230 Q N -1.327 118.470 119.800 -0.005 0.000 2.217 230 Q HA 0.179 4.519 4.340 0.001 0.000 0.217 230 Q C 1.146 177.146 176.000 -0.001 0.000 0.844 230 Q CA 0.084 55.883 55.803 -0.006 0.000 0.957 230 Q CB 0.121 28.854 28.738 -0.007 0.000 1.127 230 Q HN 0.601 nan 8.270 nan 0.000 0.503 231 S N -0.172 115.530 115.700 0.003 0.000 2.585 231 S HA 0.582 5.052 4.470 0.001 0.000 0.273 231 S C 0.435 175.043 174.600 0.014 0.000 1.339 231 S CA -0.333 57.872 58.200 0.008 0.000 1.028 231 S CB 1.388 64.595 63.200 0.011 0.000 0.906 231 S HN 0.327 nan 8.310 nan 0.000 0.528 232 A N 2.212 125.042 122.820 0.017 0.000 2.310 232 A HA 0.416 4.737 4.320 0.001 0.000 0.260 232 A C 1.582 179.188 177.584 0.036 0.000 1.112 232 A CA -0.704 51.349 52.037 0.026 0.000 0.804 232 A CB -0.310 18.702 19.000 0.020 0.000 1.081 232 A HN 0.827 nan 8.150 nan 0.000 0.499 233 I N -0.570 120.035 120.570 0.058 0.000 2.163 233 I HA -0.078 4.092 4.170 0.001 0.000 0.243 233 I C 1.132 177.274 176.117 0.042 0.000 1.085 233 I CA 2.007 63.354 61.300 0.077 0.000 1.347 233 I CB -0.722 37.361 38.000 0.138 0.000 1.044 233 I HN 0.581 nan 8.210 nan 0.000 0.408 234 I N 0.198 120.767 120.570 -0.002 0.000 2.605 234 I HA 0.108 4.278 4.170 0.001 0.000 0.276 234 I C -0.204 175.867 176.117 -0.076 0.000 1.161 234 I CA -0.118 61.148 61.300 -0.058 0.000 1.064 234 I CB 1.008 38.918 38.000 -0.150 0.000 1.238 234 I HN -0.158 nan 8.210 nan 0.000 0.487 235 S N 7.448 123.132 115.700 -0.025 0.000 2.423 235 S HA 0.348 4.819 4.470 0.001 0.000 0.302 235 S C -0.091 174.522 174.600 0.021 0.000 1.143 235 S CA -0.364 57.835 58.200 -0.002 0.000 1.080 235 S CB 0.057 63.265 63.200 0.012 0.000 1.081 235 S HN 0.519 nan 8.310 nan 0.000 0.522 236 L N 6.021 127.271 121.223 0.044 0.000 2.828 236 L HA 0.293 4.633 4.340 0.001 0.000 0.233 236 L C 1.696 178.693 176.870 0.213 0.000 1.250 236 L CA 0.260 55.213 54.840 0.189 0.000 1.125 236 L CB -0.542 41.641 42.059 0.207 0.000 1.432 236 L HN 0.686 nan 8.230 nan 0.000 0.444 237 T N -0.445 114.169 114.554 0.101 0.000 3.023 237 T HA -0.058 4.292 4.350 0.001 0.000 0.266 237 T C 1.463 176.205 174.700 0.069 0.000 1.093 237 T CA 1.092 63.266 62.100 0.123 0.000 1.129 237 T CB 0.268 69.192 68.868 0.093 0.000 0.899 237 T HN 0.542 nan 8.240 nan 0.000 0.491 238 E N 0.127 120.249 120.200 -0.131 0.000 2.474 238 E HA 0.052 4.402 4.350 0.001 0.000 0.195 238 E C -0.644 175.710 176.600 -0.411 0.000 1.039 238 E CA -0.250 55.974 56.400 -0.293 0.000 0.881 238 E CB -0.454 29.034 29.700 -0.353 0.000 0.970 238 E HN 0.465 nan 8.360 nan 0.000 0.486 239 F N 2.828 122.748 119.950 -0.052 0.000 2.404 239 F HA 0.278 4.805 4.527 0.001 0.000 0.359 239 F C 1.371 177.109 175.800 -0.103 0.000 1.134 239 F CA -0.235 57.730 58.000 -0.059 0.000 1.160 239 F CB 1.030 40.028 39.000 -0.004 0.000 1.186 239 F HN -0.007 nan 8.300 nan 0.000 0.526 240 K N 1.419 121.765 120.400 -0.090 0.000 2.586 240 K HA 0.206 4.527 4.320 0.001 0.000 0.198 240 K C 0.277 176.789 176.600 -0.146 0.000 1.170 240 K CA -0.515 55.595 56.287 -0.294 0.000 1.069 240 K CB 0.568 32.374 32.500 -1.156 0.000 0.944 240 K HN 0.377 nan 8.250 nan 0.000 0.572 241 R N 2.029 122.508 120.500 -0.036 0.000 2.391 241 R HA 0.235 4.575 4.340 0.001 0.000 0.310 241 R C -1.112 175.216 176.300 0.047 0.000 1.174 241 R CA -0.189 55.913 56.100 0.003 0.000 1.118 241 R CB 0.891 31.200 30.300 0.016 0.000 1.134 241 R HN -0.002 nan 8.270 nan 0.000 0.524 242 V N 6.465 126.409 119.914 0.049 0.000 2.276 242 V HA 0.247 4.368 4.120 0.001 0.000 0.268 242 V C -1.790 174.341 176.094 0.061 0.000 1.032 242 V CA -1.629 60.708 62.300 0.062 0.000 0.810 242 V CB 0.916 32.762 31.823 0.038 0.000 1.060 242 V HN 0.680 nan 8.190 nan 0.000 0.446 243 P HA 0.187 nan 4.420 nan 0.000 0.268 243 P C 1.056 178.403 177.300 0.077 0.000 1.205 243 P CA -0.132 63.012 63.100 0.072 0.000 0.771 243 P CB 1.673 33.422 31.700 0.083 0.000 0.858 244 L N 1.287 122.550 121.223 0.067 0.000 2.093 244 L HA -0.126 4.214 4.340 0.001 0.000 0.208 244 L C 1.412 178.340 176.870 0.097 0.000 1.085 244 L CA 1.424 56.304 54.840 0.066 0.000 0.755 244 L CB -0.590 41.499 42.059 0.052 0.000 0.904 244 L HN 0.486 nan 8.230 nan 0.000 0.435 245 D N -1.197 119.270 120.400 0.111 0.000 2.856 245 D HA -0.050 4.591 4.640 0.001 0.000 0.242 245 D C 1.081 177.522 176.300 0.234 0.000 1.226 245 D CA 0.579 54.677 54.000 0.164 0.000 0.855 245 D CB 0.174 41.047 40.800 0.122 0.000 1.065 245 D HN 0.276 nan 8.370 nan 0.000 0.462 246 S N -1.288 114.504 115.700 0.154 0.000 2.649 246 S HA 0.096 4.566 4.470 0.001 0.000 0.246 246 S C 1.723 176.240 174.600 -0.137 0.000 1.057 246 S CA -0.430 57.758 58.200 -0.020 0.000 1.051 246 S CB -0.402 62.816 63.200 0.029 0.000 1.018 246 S HN 0.205 nan 8.310 nan 0.000 0.569 247 L N 1.746 123.033 121.223 0.106 0.000 2.131 247 L HA -0.039 4.301 4.340 0.001 0.000 0.210 247 L C 2.898 179.802 176.870 0.058 0.000 1.092 247 L CA 1.731 56.684 54.840 0.189 0.000 0.759 247 L CB -0.842 41.291 42.059 0.123 0.000 0.903 247 L HN 0.649 nan 8.230 nan 0.000 0.435 248 W N 0.158 121.452 121.300 -0.011 0.000 2.331 248 W HA -0.245 4.415 4.660 0.001 0.000 0.291 248 W C 1.916 178.352 176.519 -0.139 0.000 1.214 248 W CA 0.911 58.218 57.345 -0.062 0.000 1.228 248 W CB -1.023 28.381 29.460 -0.092 0.000 1.135 248 W HN 0.202 nan 8.180 nan 0.000 0.537 249 M N 0.100 118.827 119.600 -1.455 0.000 2.117 249 M HA -0.142 4.338 4.480 0.001 0.000 0.262 249 M C 2.113 177.787 176.300 -1.043 0.000 1.065 249 M CA 1.952 56.209 55.300 -1.738 0.000 1.114 249 M CB -0.760 30.519 32.600 -2.203 0.000 1.361 249 M HN -0.140 nan 8.290 nan 0.000 0.408 250 F N 0.079 119.709 119.950 -0.533 0.000 2.293 250 F HA -0.083 4.444 4.527 0.001 0.000 0.300 250 F C 2.090 177.798 175.800 -0.153 0.000 1.086 250 F CA 0.816 58.637 58.000 -0.298 0.000 1.375 250 F CB -0.686 38.182 39.000 -0.221 0.000 1.045 250 F HN 0.067 nan 8.300 nan 0.000 0.516 251 I N -0.134 120.455 120.570 0.031 0.000 2.286 251 I HA -0.299 3.872 4.170 0.001 0.000 0.248 251 I C 2.217 178.366 176.117 0.053 0.000 1.115 251 I CA 1.440 62.778 61.300 0.063 0.000 1.392 251 I CB -0.406 37.650 38.000 0.093 0.000 1.065 251 I HN 0.141 nan 8.210 nan 0.000 0.418 252 I N -0.100 120.473 120.570 0.006 0.000 2.233 252 I HA -0.258 3.913 4.170 0.001 0.000 0.243 252 I C 2.465 178.610 176.117 0.047 0.000 1.093 252 I CA 0.826 62.159 61.300 0.055 0.000 1.380 252 I CB -0.235 37.838 38.000 0.121 0.000 1.067 252 I HN 0.190 nan 8.210 nan 0.000 0.413 253 L N 1.326 122.537 121.223 -0.019 0.000 2.079 253 L HA -0.128 4.212 4.340 0.001 0.000 0.210 253 L C 2.241 179.245 176.870 0.223 0.000 1.081 253 L CA 2.130 57.017 54.840 0.078 0.000 0.752 253 L CB -1.149 40.941 42.059 0.053 0.000 0.896 253 L HN 0.202 nan 8.230 nan 0.000 0.433 254 G N -0.316 108.588 108.800 0.174 0.000 2.434 254 G HA2 -0.200 3.760 3.960 0.001 0.000 0.214 254 G HA3 -0.200 3.760 3.960 0.001 0.000 0.214 254 G C 1.527 176.517 174.900 0.149 0.000 1.202 254 G CA 0.800 46.008 45.100 0.180 0.000 0.788 254 G HN 0.337 nan 8.290 nan 0.000 0.539 255 I N 1.039 121.668 120.570 0.098 0.000 2.185 255 I HA -0.173 3.997 4.170 0.001 0.000 0.246 255 I C 2.641 178.792 176.117 0.057 0.000 1.088 255 I CA 0.974 62.316 61.300 0.071 0.000 1.347 255 I CB -1.098 36.937 38.000 0.059 0.000 1.041 255 I HN 0.153 nan 8.210 nan 0.000 0.415 256 L N 0.259 121.502 121.223 0.033 0.000 1.988 256 L HA -0.224 4.116 4.340 0.001 0.000 0.207 256 L C 2.638 179.463 176.870 -0.075 0.000 1.071 256 L CA 2.122 56.921 54.840 -0.068 0.000 0.744 256 L CB -0.741 41.213 42.059 -0.175 0.000 0.893 256 L HN 0.058 nan 8.230 nan 0.000 0.433 257 F N 0.608 120.575 119.950 0.028 0.000 2.333 257 F HA -0.095 4.433 4.527 0.001 0.000 0.300 257 F C 2.444 178.274 175.800 0.050 0.000 1.083 257 F CA 1.044 59.063 58.000 0.032 0.000 1.395 257 F CB -1.052 37.957 39.000 0.015 0.000 1.056 257 F HN 0.175 nan 8.300 nan 0.000 0.529 258 G N 0.221 109.144 108.800 0.206 0.000 2.484 258 G HA2 -0.252 3.709 3.960 0.001 0.000 0.215 258 G HA3 -0.252 3.709 3.960 0.001 0.000 0.215 258 G C 1.862 176.858 174.900 0.161 0.000 1.219 258 G CA 1.507 46.699 45.100 0.153 0.000 0.791 258 G HN 0.359 nan 8.290 nan 0.000 0.550 259 V N -1.240 118.743 119.914 0.115 0.000 2.626 259 V HA -0.032 4.089 4.120 0.001 0.000 0.252 259 V C 2.519 178.740 176.094 0.211 0.000 1.067 259 V CA 2.091 64.472 62.300 0.134 0.000 1.081 259 V CB -0.336 31.518 31.823 0.052 0.000 0.686 259 V HN 0.348 nan 8.190 nan 0.000 0.468 260 M N 1.092 120.791 119.600 0.165 0.000 2.077 260 M HA -0.009 4.472 4.480 0.001 0.000 0.261 260 M C 2.338 178.823 176.300 0.308 0.000 1.070 260 M CA 2.246 57.667 55.300 0.203 0.000 1.125 260 M CB -0.967 31.719 32.600 0.143 0.000 1.339 260 M HN 0.567 nan 8.290 nan 0.000 0.409 261 G N -1.264 107.697 108.800 0.268 0.000 2.450 261 G HA2 -0.293 3.667 3.960 0.001 0.000 0.220 261 G HA3 -0.293 3.667 3.960 0.001 0.000 0.220 261 G C 1.317 176.364 174.900 0.245 0.000 1.130 261 G CA 0.795 46.032 45.100 0.229 0.000 0.760 261 G HN 0.508 nan 8.290 nan 0.000 0.557 262 Y N 1.958 122.339 120.300 0.135 0.000 2.114 262 Y HA -0.214 4.336 4.550 0.001 0.000 0.284 262 Y C 3.211 179.172 175.900 0.102 0.000 1.143 262 Y CA 2.739 60.901 58.100 0.103 0.000 1.135 262 Y CB -0.416 38.096 38.460 0.086 0.000 0.980 262 Y HN 0.247 nan 8.280 nan 0.000 0.499 263 T N -1.650 113.016 114.554 0.187 0.000 2.951 263 T HA -0.204 4.146 4.350 0.001 0.000 0.268 263 T C 1.749 176.521 174.700 0.121 0.000 1.073 263 T CA 1.094 63.252 62.100 0.098 0.000 1.134 263 T CB -1.015 67.983 68.868 0.217 0.000 0.884 263 T HN 0.430 nan 8.240 nan 0.000 0.479 264 F N 2.850 122.859 119.950 0.098 0.000 2.113 264 F HA 0.015 4.542 4.527 0.001 0.000 0.297 264 F C 2.043 177.644 175.800 -0.331 0.000 1.103 264 F CA 1.376 59.344 58.000 -0.054 0.000 1.248 264 F CB -0.505 38.480 39.000 -0.024 0.000 0.999 264 F HN 0.099 nan 8.300 nan 0.000 0.475 265 N N 0.648 119.168 118.700 -0.300 0.000 2.025 265 N HA -0.162 4.579 4.740 0.001 0.000 0.194 265 N C 1.999 176.846 175.510 -1.105 0.000 1.044 265 N CA 1.290 53.893 53.050 -0.744 0.000 0.851 265 N CB -0.531 37.717 38.487 -0.398 0.000 1.036 265 N HN 0.137 nan 8.380 nan 0.000 0.422 266 R N 0.406 120.528 120.500 -0.630 0.000 2.096 266 R HA -0.071 4.270 4.340 0.001 0.000 0.240 266 R C 2.187 178.292 176.300 -0.324 0.000 1.139 266 R CA 1.403 57.266 56.100 -0.395 0.000 0.952 266 R CB -1.351 28.732 30.300 -0.361 0.000 0.854 266 R HN 0.378 nan 8.270 nan 0.000 0.436 267 G N 1.120 109.721 108.800 -0.331 0.000 2.421 267 G HA2 -0.228 3.732 3.960 0.001 0.000 0.216 267 G HA3 -0.228 3.732 3.960 0.001 0.000 0.216 267 G C 1.589 176.290 174.900 -0.331 0.000 1.171 267 G CA 0.303 45.252 45.100 -0.252 0.000 0.775 267 G HN 0.233 nan 8.290 nan 0.000 0.543 268 L N -0.473 120.384 121.223 -0.611 0.000 2.012 268 L HA -0.102 4.238 4.340 0.001 0.000 0.210 268 L C 2.787 179.568 176.870 -0.148 0.000 1.073 268 L CA 1.659 56.188 54.840 -0.519 0.000 0.748 268 L CB -0.370 41.208 42.059 -0.802 0.000 0.891 268 L HN 0.193 nan 8.230 nan 0.000 0.431 269 F N 0.480 120.374 119.950 -0.094 0.000 2.134 269 F HA -0.214 4.314 4.527 0.001 0.000 0.299 269 F C 2.562 178.379 175.800 0.028 0.000 1.097 269 F CA 1.104 59.095 58.000 -0.016 0.000 1.264 269 F CB -1.038 37.944 39.000 -0.030 0.000 1.001 269 F HN 0.035 nan 8.300 nan 0.000 0.479 270 K N 0.142 120.645 120.400 0.172 0.000 2.057 270 K HA -0.112 4.208 4.320 0.001 0.000 0.207 270 K C 2.074 178.779 176.600 0.176 0.000 1.049 270 K CA 1.533 57.902 56.287 0.137 0.000 0.931 270 K CB -0.591 31.947 32.500 0.063 0.000 0.714 270 K HN 0.107 nan 8.250 nan 0.000 0.440 271 V N 1.828 121.829 119.914 0.146 0.000 2.515 271 V HA -0.203 3.917 4.120 0.001 0.000 0.250 271 V C 2.166 178.540 176.094 0.468 0.000 1.058 271 V CA 1.411 63.865 62.300 0.257 0.000 1.064 271 V CB -0.421 31.502 31.823 0.167 0.000 0.675 271 V HN 0.273 nan 8.190 nan 0.000 0.461 272 L N -0.314 121.106 121.223 0.328 0.000 2.056 272 L HA -0.154 4.186 4.340 0.001 0.000 0.207 272 L C 2.427 179.474 176.870 0.296 0.000 1.078 272 L CA 1.502 56.531 54.840 0.314 0.000 0.749 272 L CB -0.666 41.550 42.059 0.261 0.000 0.901 272 L HN 0.334 nan 8.230 nan 0.000 0.433 273 D N -0.414 120.137 120.400 0.252 0.000 2.084 273 D HA -0.264 4.376 4.640 0.001 0.000 0.194 273 D C 1.756 178.175 176.300 0.198 0.000 0.990 273 D CA 1.261 55.373 54.000 0.187 0.000 0.826 273 D CB -0.492 40.403 40.800 0.157 0.000 0.971 273 D HN 0.485 nan 8.370 nan 0.000 0.453 274 W N 1.260 122.596 121.300 0.060 0.000 2.321 274 W HA -0.257 4.403 4.660 0.000 0.000 0.306 274 W C 1.700 178.177 176.519 -0.069 0.000 1.217 274 W CA 0.919 58.246 57.345 -0.031 0.000 1.257 274 W CB -1.019 28.386 29.460 -0.092 0.000 1.145 274 W HN -0.047 nan 8.180 nan 0.000 0.509 275 F N 1.699 121.635 119.950 -0.023 0.000 2.259 275 F HA -0.157 4.370 4.527 0.001 0.000 0.298 275 F C 2.281 177.971 175.800 -0.183 0.000 1.088 275 F CA 1.887 59.782 58.000 -0.174 0.000 1.358 275 F CB -0.603 38.442 39.000 0.075 0.000 1.040 275 F HN -0.227 nan 8.300 nan 0.000 0.505 276 D N -0.231 120.216 120.400 0.079 0.000 2.264 276 D HA -0.096 4.545 4.640 0.001 0.000 0.208 276 D C 1.561 177.821 176.300 -0.067 0.000 0.966 276 D CA 0.766 54.776 54.000 0.016 0.000 0.864 276 D CB -0.217 40.609 40.800 0.043 0.000 0.933 276 D HN 0.049 nan 8.370 nan 0.000 0.499 277 R N 0.381 120.796 120.500 -0.142 0.000 2.823 277 R HA 0.219 4.559 4.340 0.001 0.000 0.250 277 R C 0.625 176.782 176.300 -0.239 0.000 1.332 277 R CA -0.146 55.850 56.100 -0.174 0.000 1.259 277 R CB -1.079 29.113 30.300 -0.179 0.000 1.225 277 R HN 0.119 nan 8.270 nan 0.000 0.545 278 L N -1.980 119.116 121.223 -0.212 0.000 7.010 278 L HA -0.339 4.001 4.340 0.001 0.000 0.053 278 L C -1.699 175.003 176.870 -0.281 0.000 1.604 278 L CA 0.731 55.455 54.840 -0.194 0.000 1.640 278 L CB -1.550 40.431 42.059 -0.131 0.000 2.749 278 L HN 0.169 nan 8.230 nan 0.000 1.088 279 P HA 0.109 nan 4.420 nan 0.000 0.272 279 P C -2.088 175.150 177.300 -0.103 0.000 1.230 279 P CA -0.968 62.056 63.100 -0.126 0.000 0.788 279 P CB 0.218 31.860 31.700 -0.097 0.000 0.949 280 P HA -0.188 nan 4.420 nan 0.000 0.217 280 P C 1.346 178.594 177.300 -0.087 0.000 1.148 280 P CA 1.018 64.071 63.100 -0.079 0.000 0.834 280 P CB -0.088 31.573 31.700 -0.065 0.000 0.783 281 L N -0.684 120.495 121.223 -0.073 0.000 2.095 281 L HA 0.065 4.405 4.340 0.001 0.000 0.204 281 L C 2.246 179.087 176.870 -0.047 0.000 1.080 281 L CA 1.752 56.547 54.840 -0.075 0.000 0.759 281 L CB -1.546 40.499 42.059 -0.022 0.000 0.914 281 L HN -0.135 nan 8.230 nan 0.000 0.439 282 A N -1.331 121.479 122.820 -0.017 0.000 1.940 282 A HA -0.231 4.089 4.320 0.001 0.000 0.219 282 A C 2.233 179.828 177.584 0.017 0.000 1.176 282 A CA 2.390 54.442 52.037 0.024 0.000 0.631 282 A CB -1.226 17.735 19.000 -0.064 0.000 0.814 282 A HN 0.518 nan 8.150 nan 0.000 0.446 283 T N 0.258 114.777 114.554 -0.057 0.000 2.788 283 T HA -0.110 4.240 4.350 0.001 0.000 0.268 283 T C 1.875 176.522 174.700 -0.087 0.000 1.044 283 T CA 1.432 63.480 62.100 -0.086 0.000 1.139 283 T CB -0.151 68.652 68.868 -0.109 0.000 0.867 283 T HN 0.407 nan 8.240 nan 0.000 0.454 284 K N 0.420 120.736 120.400 -0.139 0.000 2.103 284 K HA -0.091 4.230 4.320 0.001 0.000 0.207 284 K C 1.837 178.303 176.600 -0.225 0.000 1.048 284 K CA 1.254 57.381 56.287 -0.266 0.000 0.930 284 K CB -0.445 31.761 32.500 -0.490 0.000 0.716 284 K HN 0.598 nan 8.250 nan 0.000 0.444 285 W N 1.202 122.532 121.300 0.050 0.000 2.872 285 W HA 0.111 4.772 4.660 0.001 0.000 0.266 285 W C 2.210 178.818 176.519 0.148 0.000 1.276 285 W CA -0.487 56.923 57.345 0.107 0.000 1.471 285 W CB 0.183 29.698 29.460 0.091 0.000 1.071 285 W HN 0.053 nan 8.180 nan 0.000 0.619 286 K N 1.035 121.609 120.400 0.291 0.000 2.077 286 K HA -0.234 4.087 4.320 0.001 0.000 0.213 286 K C 2.124 178.874 176.600 0.250 0.000 1.051 286 K CA 2.179 58.596 56.287 0.217 0.000 0.929 286 K CB -0.802 31.732 32.500 0.056 0.000 0.715 286 K HN 0.209 nan 8.250 nan 0.000 0.451 287 G N 0.486 109.425 108.800 0.231 0.000 2.491 287 G HA2 -0.309 3.651 3.960 0.001 0.000 0.218 287 G HA3 -0.309 3.651 3.960 0.001 0.000 0.218 287 G C 1.371 176.536 174.900 0.441 0.000 1.180 287 G CA 1.002 46.403 45.100 0.501 0.000 0.774 287 G HN 0.444 nan 8.290 nan 0.000 0.562 288 F N 0.914 121.057 119.950 0.322 0.000 2.084 288 F HA 0.097 4.624 4.527 0.001 0.000 0.296 288 F C 2.584 178.488 175.800 0.174 0.000 1.111 288 F CA 1.099 59.253 58.000 0.258 0.000 1.224 288 F CB -0.183 39.019 39.000 0.337 0.000 0.991 288 F HN 0.033 nan 8.300 nan 0.000 0.471 289 L N -0.083 121.334 121.223 0.324 0.000 1.970 289 L HA -0.272 4.069 4.340 0.001 0.000 0.212 289 L C 2.558 179.469 176.870 0.067 0.000 1.071 289 L CA 1.187 56.120 54.840 0.155 0.000 0.751 289 L CB -0.958 41.229 42.059 0.212 0.000 0.889 289 L HN 0.278 nan 8.230 nan 0.000 0.432 290 L N 0.147 121.464 121.223 0.157 0.000 2.079 290 L HA -0.156 4.184 4.340 0.001 0.000 0.210 290 L C 2.258 179.156 176.870 0.047 0.000 1.081 290 L CA 2.218 57.144 54.840 0.144 0.000 0.752 290 L CB -1.200 41.008 42.059 0.249 0.000 0.896 290 L HN 0.342 nan 8.230 nan 0.000 0.433 291 G N -1.278 107.532 108.800 0.015 0.000 2.511 291 G HA2 -0.182 3.778 3.960 0.001 0.000 0.217 291 G HA3 -0.182 3.778 3.960 0.001 0.000 0.217 291 G C 1.652 176.440 174.900 -0.187 0.000 1.133 291 G CA 0.790 45.846 45.100 -0.073 0.000 0.792 291 G HN 0.601 nan 8.290 nan 0.000 0.539 292 S N 0.386 115.922 115.700 -0.274 0.000 2.388 292 S HA 0.101 4.572 4.470 0.001 0.000 0.223 292 S C 2.255 176.729 174.600 -0.210 0.000 1.034 292 S CA 0.276 58.277 58.200 -0.331 0.000 0.963 292 S CB -0.285 62.614 63.200 -0.503 0.000 0.827 292 S HN 0.265 nan 8.310 nan 0.000 0.481 293 I N 1.741 122.227 120.570 -0.141 0.000 2.163 293 I HA -0.162 4.008 4.170 0.001 0.000 0.243 293 I C 2.303 178.330 176.117 -0.149 0.000 1.085 293 I CA 1.147 62.380 61.300 -0.113 0.000 1.347 293 I CB -0.438 37.536 38.000 -0.045 0.000 1.044 293 I HN 0.256 nan 8.210 nan 0.000 0.408 294 I N 1.134 121.629 120.570 -0.126 0.000 2.264 294 I HA -0.236 3.935 4.170 0.001 0.000 0.248 294 I C 2.697 178.696 176.117 -0.196 0.000 1.111 294 I CA 1.856 63.072 61.300 -0.139 0.000 1.382 294 I CB -1.933 36.003 38.000 -0.107 0.000 1.060 294 I HN 0.259 nan 8.210 nan 0.000 0.418 295 G N 0.860 109.535 108.800 -0.209 0.000 2.446 295 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 295 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 295 G C 1.693 176.391 174.900 -0.337 0.000 1.168 295 G CA 0.609 45.566 45.100 -0.237 0.000 0.771 295 G HN 0.263 nan 8.290 nan 0.000 0.551 296 I N 0.871 121.204 120.570 -0.395 0.000 2.179 296 I HA -0.087 4.083 4.170 0.001 0.000 0.242 296 I C 2.675 178.317 176.117 -0.792 0.000 1.088 296 I CA 0.810 61.726 61.300 -0.639 0.000 1.357 296 I CB -0.387 37.266 38.000 -0.579 0.000 1.051 296 I HN 0.093 nan 8.210 nan 0.000 0.409 297 L N -0.535 120.358 121.223 -0.550 0.000 2.353 297 L HA -0.166 4.174 4.340 0.001 0.000 0.220 297 L C 2.315 178.940 176.870 -0.409 0.000 1.133 297 L CA 0.675 55.222 54.840 -0.489 0.000 0.798 297 L CB -0.665 41.272 42.059 -0.204 0.000 0.922 297 L HN 0.164 nan 8.230 nan 0.000 0.445 298 S N 0.043 115.520 115.700 -0.372 0.000 2.423 298 S HA -0.041 4.429 4.470 0.001 0.000 0.231 298 S C 1.941 176.373 174.600 -0.279 0.000 1.014 298 S CA 0.898 58.938 58.200 -0.267 0.000 0.965 298 S CB -0.104 62.963 63.200 -0.222 0.000 0.785 298 S HN 0.352 nan 8.310 nan 0.000 0.495 299 L N 0.059 121.015 121.223 -0.446 0.000 2.072 299 L HA 0.044 4.384 4.340 0.001 0.000 0.205 299 L C 0.301 177.071 176.870 -0.166 0.000 1.079 299 L CA 0.351 54.969 54.840 -0.370 0.000 0.752 299 L CB -0.562 41.153 42.059 -0.573 0.000 0.906 299 L HN 0.212 nan 8.230 nan 0.000 0.436 300 F N 1.580 121.441 119.950 -0.148 0.000 2.602 300 F HA 0.067 4.594 4.527 0.001 0.000 0.367 300 F C -1.493 174.257 175.800 -0.083 0.000 1.126 300 F CA -2.876 55.068 58.000 -0.094 0.000 1.321 300 F CB -0.838 38.103 39.000 -0.098 0.000 1.094 300 F HN -0.069 nan 8.300 nan 0.000 0.594 301 P HA 0.274 nan 4.420 nan 0.000 0.218 301 P C -0.739 176.579 177.300 0.029 0.000 1.793 301 P CA 0.413 63.556 63.100 0.071 0.000 0.941 301 P CB -0.020 31.726 31.700 0.077 0.000 1.919 302 L N 1.569 122.768 121.223 -0.040 0.000 2.434 302 L HA 0.446 4.786 4.340 0.001 0.000 0.260 302 L C -2.176 174.508 176.870 -0.310 0.000 0.983 302 L CA -2.371 52.333 54.840 -0.226 0.000 0.820 302 L CB 3.497 45.429 42.059 -0.212 0.000 1.361 302 L HN -0.177 nan 8.230 nan 0.000 0.410 303 P HA 0.083 nan 4.420 nan 0.000 0.220 303 P C 0.300 177.413 177.300 -0.312 0.000 1.778 303 P CA 0.069 62.930 63.100 -0.398 0.000 0.912 303 P CB -0.348 31.061 31.700 -0.485 0.000 1.861 304 L N -0.681 120.404 121.223 -0.229 0.000 2.741 304 L HA 0.381 4.721 4.340 0.001 0.000 0.237 304 L C 0.008 176.813 176.870 -0.109 0.000 1.178 304 L CA -0.238 54.508 54.840 -0.156 0.000 0.973 304 L CB -0.347 41.639 42.059 -0.121 0.000 1.255 304 L HN -0.036 nan 8.230 nan 0.000 0.498 305 T N -4.668 109.818 114.554 -0.114 0.000 2.669 305 T HA 0.620 4.970 4.350 0.001 0.000 0.283 305 T C -0.894 173.749 174.700 -0.095 0.000 1.019 305 T CA -0.207 61.832 62.100 -0.102 0.000 1.039 305 T CB 1.967 70.764 68.868 -0.118 0.000 1.374 305 T HN 0.207 nan 8.240 nan 0.000 0.523 306 D N -1.284 119.053 120.400 -0.105 0.000 9.601 306 D HA -0.055 4.585 4.640 0.001 0.000 0.351 306 D C 1.294 177.525 176.300 -0.115 0.000 2.917 306 D CA 1.286 55.215 54.000 -0.119 0.000 2.218 306 D CB -1.255 39.489 40.800 -0.094 0.000 1.166 306 D HN 0.977 nan 8.370 nan 0.000 1.105 307 G N -0.331 108.367 108.800 -0.168 0.000 2.586 307 G HA2 0.155 4.115 3.960 0.001 0.000 0.218 307 G HA3 0.155 4.115 3.960 0.001 0.000 0.218 307 G C 1.142 176.030 174.900 -0.020 0.000 1.216 307 G CA 2.439 47.440 45.100 -0.165 0.000 0.786 307 G HN 1.560 nan 8.290 nan 0.000 0.583 308 G N -0.864 107.956 108.800 0.032 0.000 3.246 308 G HA2 -0.120 3.841 3.960 0.001 0.000 0.218 308 G HA3 -0.120 3.841 3.960 0.001 0.000 0.218 308 G C 0.777 175.767 174.900 0.149 0.000 0.978 308 G CA 0.833 45.987 45.100 0.089 0.000 0.825 308 G HN 0.380 nan 8.290 nan 0.000 0.546 309 D N 2.109 122.616 120.400 0.177 0.000 2.106 309 D HA -0.136 4.504 4.640 0.001 0.000 0.191 309 D C 2.486 178.899 176.300 0.188 0.000 0.997 309 D CA 1.764 55.892 54.000 0.212 0.000 0.834 309 D CB -0.080 40.856 40.800 0.227 0.000 0.956 309 D HN 0.500 nan 8.370 nan 0.000 0.448 310 N N 1.689 120.475 118.700 0.145 0.000 2.061 310 N HA -0.233 4.507 4.740 0.001 0.000 0.193 310 N C 1.776 177.401 175.510 0.191 0.000 1.030 310 N CA 1.881 55.016 53.050 0.141 0.000 0.856 310 N CB -0.895 37.632 38.487 0.066 0.000 1.023 310 N HN 0.259 nan 8.380 nan 0.000 0.424 311 A N 0.870 123.775 122.820 0.141 0.000 1.940 311 A HA -0.041 4.279 4.320 0.001 0.000 0.219 311 A C 2.602 180.384 177.584 0.330 0.000 1.176 311 A CA 1.912 54.058 52.037 0.181 0.000 0.631 311 A CB -0.823 18.238 19.000 0.101 0.000 0.814 311 A HN 0.204 nan 8.150 nan 0.000 0.446 312 V N -0.022 120.071 119.914 0.297 0.000 2.323 312 V HA -0.167 3.954 4.120 0.001 0.000 0.244 312 V C 2.195 178.560 176.094 0.452 0.000 1.041 312 V CA 1.563 64.088 62.300 0.375 0.000 1.025 312 V CB -0.740 31.273 31.823 0.317 0.000 0.656 312 V HN 0.560 nan 8.190 nan 0.000 0.451 313 L N -1.392 120.035 121.223 0.340 0.000 2.749 313 L HA -0.107 4.233 4.340 0.001 0.000 0.245 313 L C 1.765 178.845 176.870 0.350 0.000 1.156 313 L CA 0.949 55.970 54.840 0.303 0.000 0.890 313 L CB -0.429 41.760 42.059 0.216 0.000 1.036 313 L HN 0.554 nan 8.230 nan 0.000 0.441 314 W N -0.538 120.862 121.300 0.166 0.000 2.952 314 W HA 0.204 4.865 4.660 0.001 0.000 0.251 314 W C 2.302 178.863 176.519 0.071 0.000 1.144 314 W CA 0.713 58.121 57.345 0.105 0.000 1.551 314 W CB 0.006 29.511 29.460 0.075 0.000 0.978 314 W HN 0.013 nan 8.180 nan 0.000 0.648 315 A N 1.526 124.463 122.820 0.195 0.000 1.848 315 A HA -0.112 4.209 4.320 0.001 0.000 0.217 315 A C 0.763 178.148 177.584 -0.331 0.000 1.220 315 A CA 1.677 53.605 52.037 -0.183 0.000 0.645 315 A CB -1.788 17.040 19.000 -0.286 0.000 0.842 315 A HN 0.347 nan 8.150 nan 0.000 0.451 316 F N -0.630 119.303 119.950 -0.027 0.000 2.384 316 F HA 0.489 5.016 4.527 0.001 0.000 0.338 316 F C 0.854 176.651 175.800 -0.006 0.000 1.103 316 F CA -0.464 57.513 58.000 -0.038 0.000 1.157 316 F CB 0.664 39.657 39.000 -0.011 0.000 1.167 316 F HN 0.222 nan 8.300 nan 0.000 0.529 317 N N -0.695 118.109 118.700 0.173 0.000 2.445 317 N HA -0.028 4.712 4.740 0.001 0.000 0.204 317 N C 0.104 175.598 175.510 -0.027 0.000 1.098 317 N CA 0.124 53.241 53.050 0.112 0.000 0.859 317 N CB -0.064 38.498 38.487 0.126 0.000 1.249 317 N HN 0.533 nan 8.380 nan 0.000 0.462 318 S N 1.573 117.227 115.700 -0.076 0.000 3.205 318 S HA -0.131 4.339 4.470 0.001 0.000 0.381 318 S C 0.093 174.540 174.600 -0.255 0.000 1.122 318 S CA -0.261 57.853 58.200 -0.143 0.000 1.485 318 S CB -0.665 62.445 63.200 -0.150 0.000 1.058 318 S HN 0.207 nan 8.310 nan 0.000 0.570 319 Q N 2.909 122.627 119.800 -0.137 0.000 2.262 319 Q HA 0.202 4.543 4.340 0.001 0.000 0.298 319 Q C 0.233 176.154 176.000 -0.133 0.000 1.083 319 Q CA 0.400 56.129 55.803 -0.124 0.000 0.962 319 Q CB 0.217 28.933 28.738 -0.037 0.000 1.104 319 Q HN 0.953 nan 8.270 nan 0.000 0.376 320 S N 0.969 116.563 115.700 -0.177 0.000 2.564 320 S HA 0.367 4.837 4.470 0.001 0.000 0.274 320 S C -1.000 173.656 174.600 0.093 0.000 1.124 320 S CA -1.207 56.939 58.200 -0.091 0.000 0.869 320 S CB 0.927 63.927 63.200 -0.333 0.000 1.105 320 S HN 0.543 nan 8.310 nan 0.000 0.472 321 H N 1.139 120.207 119.070 -0.003 0.000 3.140 321 H HA 0.095 4.652 4.556 0.001 0.000 0.316 321 H C 0.732 176.105 175.328 0.075 0.000 0.986 321 H CA -0.495 55.585 56.048 0.053 0.000 1.397 321 H CB -0.180 29.622 29.762 0.067 0.000 1.377 321 H HN 0.711 nan 8.280 nan 0.000 0.585 322 F N 2.423 122.408 119.950 0.058 0.000 2.236 322 F HA -0.296 4.231 4.527 0.001 0.000 0.302 322 F C 2.252 178.077 175.800 0.041 0.000 1.073 322 F CA 1.599 59.607 58.000 0.012 0.000 1.336 322 F CB -0.002 38.978 39.000 -0.033 0.000 1.040 322 F HN 0.594 nan 8.300 nan 0.000 0.507 323 S N -1.508 114.314 115.700 0.204 0.000 2.357 323 S HA -0.169 4.302 4.470 0.001 0.000 0.221 323 S C 1.940 176.585 174.600 0.075 0.000 1.031 323 S CA 1.459 59.734 58.200 0.125 0.000 0.982 323 S CB -1.124 62.172 63.200 0.161 0.000 0.853 323 S HN 0.370 nan 8.310 nan 0.000 0.458 324 T N 3.239 117.877 114.554 0.141 0.000 2.833 324 T HA 0.099 4.449 4.350 0.001 0.000 0.269 324 T C 1.695 176.535 174.700 0.234 0.000 1.054 324 T CA 1.307 63.513 62.100 0.176 0.000 1.135 324 T CB -0.555 68.452 68.868 0.230 0.000 0.869 324 T HN 0.296 nan 8.240 nan 0.000 0.466 325 L N 0.608 121.913 121.223 0.138 0.000 1.989 325 L HA -0.096 4.244 4.340 0.001 0.000 0.211 325 L C 2.483 179.373 176.870 0.033 0.000 1.071 325 L CA 1.091 55.992 54.840 0.102 0.000 0.749 325 L CB -0.671 41.267 42.059 -0.201 0.000 0.890 325 L HN 0.237 nan 8.230 nan 0.000 0.431 326 I N -0.341 120.158 120.570 -0.119 0.000 2.264 326 I HA -0.296 3.875 4.170 0.001 0.000 0.248 326 I C 2.528 178.705 176.117 0.101 0.000 1.111 326 I CA 1.319 62.593 61.300 -0.043 0.000 1.382 326 I CB -1.088 36.853 38.000 -0.099 0.000 1.060 326 I HN 0.304 nan 8.210 nan 0.000 0.418 327 L N 0.877 122.143 121.223 0.071 0.000 1.988 327 L HA -0.139 4.201 4.340 0.001 0.000 0.207 327 L C 2.628 179.525 176.870 0.046 0.000 1.071 327 L CA 1.785 56.658 54.840 0.055 0.000 0.744 327 L CB -0.702 41.380 42.059 0.038 0.000 0.893 327 L HN 0.038 nan 8.230 nan 0.000 0.433 328 V N 0.061 119.999 119.914 0.042 0.000 2.490 328 V HA -0.332 3.788 4.120 0.001 0.000 0.250 328 V C 2.405 178.524 176.094 0.042 0.000 1.061 328 V CA 1.949 64.224 62.300 -0.041 0.000 1.064 328 V CB -0.946 30.735 31.823 -0.237 0.000 0.670 328 V HN 0.485 nan 8.190 nan 0.000 0.461 329 F N 0.584 120.530 119.950 -0.006 0.000 2.102 329 F HA -0.247 4.280 4.527 0.001 0.000 0.298 329 F C 2.433 178.265 175.800 0.053 0.000 1.105 329 F CA 2.177 60.188 58.000 0.019 0.000 1.239 329 F CB -0.509 38.474 39.000 -0.030 0.000 0.991 329 F HN 0.156 nan 8.300 nan 0.000 0.474 330 C N 1.041 120.243 119.300 -0.163 0.000 2.453 330 C HA -0.030 4.431 4.460 0.001 0.000 0.277 330 C C 3.119 178.041 174.990 -0.114 0.000 1.262 330 C CA 1.053 59.931 59.018 -0.233 0.000 1.718 330 C CB -1.918 25.792 27.740 -0.050 0.000 2.031 330 C HN 0.747 nan 8.230 nan 0.000 0.480 331 G N 0.552 109.317 108.800 -0.059 0.000 2.514 331 G HA2 -0.247 3.713 3.960 0.001 0.000 0.217 331 G HA3 -0.247 3.713 3.960 0.001 0.000 0.217 331 G C 1.780 176.655 174.900 -0.042 0.000 1.198 331 G CA 0.804 45.881 45.100 -0.038 0.000 0.780 331 G HN 0.594 nan 8.290 nan 0.000 0.565 332 R N -0.876 119.592 120.500 -0.054 0.000 2.075 332 R HA 0.027 4.368 4.340 0.001 0.000 0.232 332 R C 2.392 178.676 176.300 -0.027 0.000 1.126 332 R CA 1.093 57.169 56.100 -0.041 0.000 0.963 332 R CB -0.587 29.695 30.300 -0.029 0.000 0.858 332 R HN 0.425 nan 8.270 nan 0.000 0.435 333 F N 1.596 121.403 119.950 -0.239 0.000 2.161 333 F HA -0.190 4.338 4.527 0.001 0.000 0.300 333 F C 1.848 177.592 175.800 -0.094 0.000 1.089 333 F CA 1.429 59.299 58.000 -0.216 0.000 1.282 333 F CB 0.029 38.695 39.000 -0.557 0.000 1.010 333 F HN -0.083 nan 8.300 nan 0.000 0.485 334 L N -0.713 120.547 121.223 0.062 0.000 2.102 334 L HA -0.142 4.199 4.340 0.001 0.000 0.202 334 L C 2.407 179.255 176.870 -0.037 0.000 1.076 334 L CA 0.795 55.642 54.840 0.012 0.000 0.761 334 L CB -0.765 41.314 42.059 0.034 0.000 0.921 334 L HN 0.135 nan 8.230 nan 0.000 0.444 335 L N -0.027 121.181 121.223 -0.024 0.000 2.127 335 L HA -0.219 4.122 4.340 0.001 0.000 0.211 335 L C 2.823 179.683 176.870 -0.018 0.000 1.089 335 L CA 1.919 56.749 54.840 -0.017 0.000 0.757 335 L CB -0.780 41.265 42.059 -0.023 0.000 0.899 335 L HN 0.498 nan 8.230 nan 0.000 0.434 336 T N -2.632 111.902 114.554 -0.033 0.000 2.821 336 T HA -0.142 4.209 4.350 0.001 0.000 0.267 336 T C 1.850 176.536 174.700 -0.023 0.000 1.046 336 T CA 0.784 62.880 62.100 -0.007 0.000 1.139 336 T CB -0.444 68.435 68.868 0.017 0.000 0.871 336 T HN 0.215 nan 8.240 nan 0.000 0.454 337 L N -0.265 120.885 121.223 -0.123 0.000 2.017 337 L HA 0.002 4.343 4.340 0.001 0.000 0.208 337 L C 2.684 179.543 176.870 -0.018 0.000 1.073 337 L CA 1.050 55.789 54.840 -0.169 0.000 0.745 337 L CB -0.594 41.299 42.059 -0.276 0.000 0.894 337 L HN 0.211 nan 8.230 nan 0.000 0.432 338 I N -0.597 119.988 120.570 0.025 0.000 2.179 338 I HA -0.286 3.885 4.170 0.001 0.000 0.242 338 I C 2.692 178.830 176.117 0.036 0.000 1.088 338 I CA 1.238 62.612 61.300 0.124 0.000 1.357 338 I CB -0.607 37.473 38.000 0.134 0.000 1.051 338 I HN 0.296 nan 8.210 nan 0.000 0.409 339 C N -0.718 118.597 119.300 0.024 0.000 2.418 339 C HA -0.254 4.207 4.460 0.001 0.000 0.280 339 C C 2.785 177.763 174.990 -0.020 0.000 1.223 339 C CA 1.002 60.023 59.018 0.005 0.000 1.736 339 C CB -1.126 26.624 27.740 0.018 0.000 2.056 339 C HN 0.542 nan 8.230 nan 0.000 0.459 340 Y N 1.656 121.911 120.300 -0.075 0.000 2.293 340 Y HA 0.005 4.556 4.550 0.001 0.000 0.291 340 Y C 2.389 178.229 175.900 -0.100 0.000 1.137 340 Y CA 1.604 59.669 58.100 -0.060 0.000 1.202 340 Y CB -0.682 37.763 38.460 -0.026 0.000 0.990 340 Y HN 0.303 nan 8.280 nan 0.000 0.537 341 G N -1.064 107.729 108.800 -0.012 0.000 2.448 341 G HA2 -0.298 3.662 3.960 0.001 0.000 0.219 341 G HA3 -0.298 3.662 3.960 0.001 0.000 0.219 341 G C 1.766 176.309 174.900 -0.595 0.000 1.127 341 G CA 1.106 46.150 45.100 -0.092 0.000 0.766 341 G HN 0.509 nan 8.290 nan 0.000 0.552 342 S N -0.395 114.748 115.700 -0.928 0.000 2.515 342 S HA 0.300 4.771 4.470 0.001 0.000 0.231 342 S C 1.878 176.273 174.600 -0.343 0.000 0.987 342 S CA 1.069 58.517 58.200 -1.254 0.000 0.936 342 S CB -0.268 62.564 63.200 -0.613 0.000 0.766 342 S HN 1.587 nan 8.310 nan 0.000 0.528 343 G N 0.768 109.419 108.800 -0.247 0.000 2.137 343 G HA2 -0.039 3.922 3.960 0.001 0.000 0.237 343 G HA3 -0.039 3.922 3.960 0.001 0.000 0.237 343 G C 0.210 175.136 174.900 0.044 0.000 1.002 343 G CA 0.016 45.038 45.100 -0.130 0.000 0.702 343 G HN 1.228 nan 8.290 nan 0.000 0.515 344 A N -0.310 122.459 122.820 -0.085 0.000 2.366 344 A HA 0.685 5.005 4.320 0.001 0.000 0.249 344 A C 0.948 178.349 177.584 -0.304 0.000 1.084 344 A CA -0.233 51.510 52.037 -0.489 0.000 0.794 344 A CB 0.300 18.952 19.000 -0.580 0.000 1.034 344 A HN 0.888 nan 8.150 nan 0.000 0.491 345 I N 2.368 122.767 120.570 -0.286 0.000 2.691 345 I HA 0.102 4.272 4.170 0.001 0.000 0.288 345 I C 1.170 177.249 176.117 -0.062 0.000 1.143 345 I CA 0.509 61.734 61.300 -0.126 0.000 1.364 345 I CB -0.645 37.306 38.000 -0.082 0.000 1.435 345 I HN 0.774 nan 8.210 nan 0.000 0.551 346 G N 4.182 112.986 108.800 0.007 0.000 3.414 346 G HA2 0.813 4.773 3.960 0.001 0.000 0.196 346 G HA3 0.813 4.773 3.960 0.001 0.000 0.196 346 G C -0.076 174.944 174.900 0.200 0.000 1.486 346 G CA -0.174 44.995 45.100 0.115 0.000 0.811 346 G HN 0.832 nan 8.290 nan 0.000 0.704 347 G N -1.344 107.656 108.800 0.334 0.000 2.542 347 G HA2 0.205 4.166 3.960 0.001 0.000 0.391 347 G HA3 0.205 4.166 3.960 0.001 0.000 0.391 347 G C -0.257 174.794 174.900 0.253 0.000 1.551 347 G CA -0.113 45.161 45.100 0.291 0.000 0.946 347 G HN 0.842 nan 8.290 nan 0.000 0.662 348 I N 1.880 122.594 120.570 0.240 0.000 4.139 348 I HA 0.330 4.501 4.170 0.001 0.000 0.335 348 I C 1.806 177.990 176.117 0.113 0.000 1.327 348 I CA -0.413 60.935 61.300 0.080 0.000 1.112 348 I CB 0.051 37.953 38.000 -0.165 0.000 1.058 348 I HN 0.540 nan 8.210 nan 0.000 0.396 349 F N 1.308 121.351 119.950 0.155 0.000 2.060 349 F HA -0.171 4.356 4.527 0.001 0.000 0.295 349 F C 2.612 178.495 175.800 0.138 0.000 1.120 349 F CA 2.118 60.211 58.000 0.154 0.000 1.205 349 F CB -0.378 38.790 39.000 0.279 0.000 0.986 349 F HN 0.093 nan 8.300 nan 0.000 0.470 350 A N 0.209 123.318 122.820 0.483 0.000 1.883 350 A HA -0.166 4.154 4.320 0.001 0.000 0.217 350 A C -0.291 177.395 177.584 0.170 0.000 1.186 350 A CA 1.957 54.220 52.037 0.375 0.000 0.624 350 A CB -2.120 17.109 19.000 0.381 0.000 0.822 350 A HN 0.253 nan 8.150 nan 0.000 0.444 351 P HA -0.159 nan 4.420 nan 0.000 0.216 351 P C 1.485 178.761 177.300 -0.040 0.000 1.153 351 P CA 1.435 64.552 63.100 0.029 0.000 0.858 351 P CB -0.177 31.537 31.700 0.023 0.000 0.789 352 M N -2.529 116.998 119.600 -0.122 0.000 2.619 352 M HA -0.038 4.443 4.480 0.001 0.000 0.251 352 M C 1.305 177.529 176.300 -0.126 0.000 1.106 352 M CA 0.752 55.902 55.300 -0.250 0.000 1.086 352 M CB -0.341 31.997 32.600 -0.436 0.000 1.465 352 M HN -0.043 nan 8.290 nan 0.000 0.506 353 L N -0.419 120.785 121.223 -0.030 0.000 2.168 353 L HA 0.140 4.481 4.340 0.001 0.000 0.203 353 L C 2.530 179.454 176.870 0.089 0.000 1.078 353 L CA 1.526 56.377 54.840 0.019 0.000 0.780 353 L CB -1.292 40.800 42.059 0.055 0.000 0.939 353 L HN 0.218 nan 8.230 nan 0.000 0.451 354 G N -0.392 108.473 108.800 0.109 0.000 2.421 354 G HA2 -0.225 3.735 3.960 0.001 0.000 0.216 354 G HA3 -0.225 3.735 3.960 0.001 0.000 0.216 354 G C 1.691 176.687 174.900 0.160 0.000 1.171 354 G CA 0.966 46.152 45.100 0.142 0.000 0.775 354 G HN 0.339 nan 8.290 nan 0.000 0.543 355 I N 1.396 122.050 120.570 0.140 0.000 2.163 355 I HA -0.221 3.950 4.170 0.001 0.000 0.243 355 I C 3.326 179.629 176.117 0.311 0.000 1.085 355 I CA 1.101 62.550 61.300 0.247 0.000 1.347 355 I CB -0.291 37.828 38.000 0.198 0.000 1.044 355 I HN 0.262 nan 8.210 nan 0.000 0.408 356 A N 0.942 123.898 122.820 0.227 0.000 1.858 356 A HA -0.240 4.081 4.320 0.001 0.000 0.216 356 A C 2.517 180.244 177.584 0.239 0.000 1.190 356 A CA 2.417 54.630 52.037 0.295 0.000 0.617 356 A CB -1.019 17.982 19.000 0.003 0.000 0.827 356 A HN 0.533 nan 8.150 nan 0.000 0.443 357 S N 0.185 115.973 115.700 0.146 0.000 2.383 357 S HA -0.142 4.329 4.470 0.001 0.000 0.229 357 S C 1.864 176.461 174.600 -0.007 0.000 1.030 357 S CA 1.473 59.724 58.200 0.086 0.000 1.002 357 S CB -0.817 62.500 63.200 0.194 0.000 0.829 357 S HN 0.480 nan 8.310 nan 0.000 0.467 358 I N 1.169 121.799 120.570 0.100 0.000 2.226 358 I HA -0.130 4.041 4.170 0.001 0.000 0.245 358 I C 2.480 178.584 176.117 -0.022 0.000 1.100 358 I CA 1.103 62.460 61.300 0.095 0.000 1.374 358 I CB -0.471 37.676 38.000 0.245 0.000 1.057 358 I HN 0.239 nan 8.210 nan 0.000 0.413 359 V N 0.863 120.771 119.914 -0.010 0.000 2.307 359 V HA -0.243 3.877 4.120 0.001 0.000 0.245 359 V C 2.632 178.690 176.094 -0.060 0.000 1.045 359 V CA 2.202 64.394 62.300 -0.179 0.000 1.024 359 V CB -0.619 31.038 31.823 -0.277 0.000 0.651 359 V HN 0.582 nan 8.190 nan 0.000 0.449 360 S N -0.537 115.240 115.700 0.128 0.000 2.419 360 S HA -0.140 4.330 4.470 0.001 0.000 0.233 360 S C 1.921 176.523 174.600 0.004 0.000 1.016 360 S CA 1.481 59.772 58.200 0.152 0.000 0.974 360 S CB -0.412 62.917 63.200 0.216 0.000 0.786 360 S HN 0.293 nan 8.310 nan 0.000 0.492 361 V N 2.350 122.193 119.914 -0.119 0.000 2.307 361 V HA -0.076 4.044 4.120 0.001 0.000 0.245 361 V C 3.140 179.193 176.094 -0.067 0.000 1.045 361 V CA 1.620 63.804 62.300 -0.193 0.000 1.024 361 V CB -1.412 30.196 31.823 -0.359 0.000 0.651 361 V HN 0.656 nan 8.190 nan 0.000 0.449 362 A N -0.451 122.325 122.820 -0.074 0.000 1.883 362 A HA -0.248 4.072 4.320 0.001 0.000 0.217 362 A C 2.228 179.930 177.584 0.197 0.000 1.186 362 A CA 2.158 54.212 52.037 0.027 0.000 0.624 362 A CB -0.503 18.322 19.000 -0.292 0.000 0.822 362 A HN 0.410 nan 8.150 nan 0.000 0.444 363 M N -0.433 119.229 119.600 0.103 0.000 2.117 363 M HA -0.134 4.347 4.480 0.001 0.000 0.262 363 M C 2.536 179.005 176.300 0.282 0.000 1.065 363 M CA 1.589 57.010 55.300 0.202 0.000 1.114 363 M CB -1.603 31.092 32.600 0.159 0.000 1.361 363 M HN 0.503 nan 8.290 nan 0.000 0.408 364 A N 0.444 123.359 122.820 0.159 0.000 1.883 364 A HA -0.201 4.119 4.320 0.001 0.000 0.217 364 A C 2.333 180.012 177.584 0.159 0.000 1.186 364 A CA 1.766 53.874 52.037 0.119 0.000 0.624 364 A CB -0.654 18.355 19.000 0.016 0.000 0.822 364 A HN 0.478 nan 8.150 nan 0.000 0.444 365 R N -1.892 118.698 120.500 0.150 0.000 2.081 365 R HA -0.173 4.168 4.340 0.001 0.000 0.235 365 R C 2.318 178.714 176.300 0.160 0.000 1.131 365 R CA 1.687 57.882 56.100 0.158 0.000 0.960 365 R CB -0.558 29.843 30.300 0.169 0.000 0.856 365 R HN 0.756 nan 8.270 nan 0.000 0.436 366 H N -0.057 119.034 119.070 0.035 0.000 2.326 366 H HA -0.085 4.472 4.556 0.001 0.000 0.301 366 H C 1.586 176.835 175.328 -0.131 0.000 1.081 366 H CA 1.625 57.601 56.048 -0.121 0.000 1.334 366 H CB -0.192 29.464 29.762 -0.177 0.000 1.385 366 H HN 0.062 nan 8.280 nan 0.000 0.504 367 F N -0.948 118.990 119.950 -0.021 0.000 2.325 367 F HA -0.066 4.461 4.527 0.001 0.000 0.299 367 F C 2.587 178.407 175.800 0.033 0.000 1.090 367 F CA 1.366 59.351 58.000 -0.025 0.000 1.392 367 F CB -0.345 38.615 39.000 -0.067 0.000 1.053 367 F HN 0.343 nan 8.300 nan 0.000 0.521 368 H N -0.080 119.050 119.070 0.100 0.000 2.357 368 H HA -0.116 4.441 4.556 0.001 0.000 0.301 368 H C 2.268 177.571 175.328 -0.041 0.000 1.082 368 H CA 1.401 57.476 56.048 0.044 0.000 1.342 368 H CB -0.394 29.386 29.762 0.030 0.000 1.389 368 H HN 0.135 nan 8.280 nan 0.000 0.511 369 L N 0.265 121.392 121.223 -0.160 0.000 2.042 369 L HA -0.150 4.190 4.340 0.001 0.000 0.210 369 L C 1.872 178.513 176.870 -0.382 0.000 1.076 369 L CA 1.731 56.400 54.840 -0.285 0.000 0.749 369 L CB -0.895 41.017 42.059 -0.245 0.000 0.893 369 L HN 0.433 nan 8.230 nan 0.000 0.432 370 L N -1.558 119.375 121.223 -0.485 0.000 2.102 370 L HA -0.057 4.283 4.340 0.001 0.000 0.202 370 L C 0.357 176.676 176.870 -0.918 0.000 1.076 370 L CA 0.630 54.975 54.840 -0.825 0.000 0.761 370 L CB -0.153 41.228 42.059 -1.130 0.000 0.921 370 L HN 0.091 nan 8.230 nan 0.000 0.444 371 F N -0.400 119.540 119.950 -0.016 0.000 2.660 371 F HA 0.319 4.846 4.527 0.001 0.000 0.352 371 F C -1.783 174.043 175.800 0.043 0.000 1.257 371 F CA -1.774 56.262 58.000 0.059 0.000 1.200 371 F CB 0.286 39.409 39.000 0.204 0.000 1.473 371 F HN -0.176 nan 8.300 nan 0.000 0.561 372 P HA -0.125 nan 4.420 nan 0.000 0.221 372 P C 1.445 178.825 177.300 0.134 0.000 1.150 372 P CA 1.231 64.345 63.100 0.023 0.000 0.800 372 P CB 0.207 31.800 31.700 -0.178 0.000 0.787 373 S N -0.696 115.083 115.700 0.132 0.000 2.481 373 S HA -0.087 4.384 4.470 0.001 0.000 0.231 373 S C 1.848 176.535 174.600 0.145 0.000 0.996 373 S CA 0.662 58.937 58.200 0.125 0.000 0.942 373 S CB -0.822 62.444 63.200 0.111 0.000 0.768 373 S HN 0.255 nan 8.310 nan 0.000 0.520 374 Q N -0.543 119.369 119.800 0.187 0.000 2.317 374 Q HA 0.408 4.748 4.340 0.001 0.000 0.220 374 Q C -0.096 175.983 176.000 0.130 0.000 0.873 374 Q CA 0.070 55.971 55.803 0.162 0.000 0.936 374 Q CB 0.726 29.582 28.738 0.197 0.000 1.105 374 Q HN 0.396 nan 8.270 nan 0.000 0.520 375 I N 1.512 122.184 120.570 0.170 0.000 2.953 375 I HA 0.174 4.345 4.170 0.001 0.000 0.325 375 I C -2.140 174.098 176.117 0.201 0.000 1.421 375 I CA -2.048 59.346 61.300 0.156 0.000 0.845 375 I CB 0.866 38.950 38.000 0.140 0.000 2.186 375 I HN -0.102 nan 8.210 nan 0.000 0.604 376 P HA -0.169 nan 4.420 nan 0.000 0.211 376 P C 0.043 177.389 177.300 0.076 0.000 1.181 376 P CA 1.491 64.680 63.100 0.149 0.000 0.929 376 P CB 0.272 32.035 31.700 0.105 0.000 0.789 377 E N -0.474 119.761 120.200 0.059 0.000 2.152 377 E HA 0.091 4.441 4.350 0.001 0.000 0.285 377 E C -1.702 174.854 176.600 -0.073 0.000 1.043 377 E CA -1.551 54.861 56.400 0.020 0.000 0.839 377 E CB 0.524 30.336 29.700 0.185 0.000 1.069 377 E HN 0.274 nan 8.360 nan 0.000 0.399 378 P HA 0.003 nan 4.420 nan 0.000 0.245 378 P C 0.722 177.923 177.300 -0.166 0.000 1.206 378 P CA 0.299 63.290 63.100 -0.181 0.000 0.781 378 P CB 0.434 31.950 31.700 -0.306 0.000 0.994 379 A N 0.308 122.941 122.820 -0.312 0.000 1.933 379 A HA -0.118 4.202 4.320 0.001 0.000 0.218 379 A C 2.290 179.772 177.584 -0.170 0.000 1.175 379 A CA 1.524 53.315 52.037 -0.410 0.000 0.628 379 A CB -1.690 16.530 19.000 -1.299 0.000 0.814 379 A HN 0.040 nan 8.150 nan 0.000 0.444 380 V N -0.310 119.546 119.914 -0.097 0.000 2.324 380 V HA -0.373 3.747 4.120 0.001 0.000 0.250 380 V C 2.616 178.785 176.094 0.124 0.000 1.060 380 V CA 2.645 64.969 62.300 0.040 0.000 1.042 380 V CB -0.669 31.210 31.823 0.093 0.000 0.650 380 V HN 0.769 nan 8.190 nan 0.000 0.450 381 M N -0.088 119.601 119.600 0.149 0.000 2.229 381 M HA -0.056 4.424 4.480 0.001 0.000 0.264 381 M C 2.006 178.398 176.300 0.154 0.000 1.063 381 M CA 1.983 57.414 55.300 0.219 0.000 1.114 381 M CB -0.306 32.303 32.600 0.015 0.000 1.387 381 M HN 0.272 nan 8.290 nan 0.000 0.420 382 A N 0.765 123.636 122.820 0.086 0.000 1.855 382 A HA -0.101 4.220 4.320 0.001 0.000 0.215 382 A C 2.056 179.768 177.584 0.214 0.000 1.191 382 A CA 1.814 53.898 52.037 0.079 0.000 0.613 382 A CB -1.062 17.913 19.000 -0.041 0.000 0.829 382 A HN 0.604 nan 8.150 nan 0.000 0.442 383 I N -0.066 120.649 120.570 0.241 0.000 2.194 383 I HA -0.341 3.829 4.170 0.001 0.000 0.246 383 I C 2.984 179.138 176.117 0.061 0.000 1.093 383 I CA 1.176 62.570 61.300 0.157 0.000 1.355 383 I CB -0.465 37.573 38.000 0.064 0.000 1.046 383 I HN 0.387 nan 8.210 nan 0.000 0.413 384 A N 0.948 123.796 122.820 0.045 0.000 1.845 384 A HA -0.137 4.183 4.320 0.001 0.000 0.215 384 A C 2.301 179.856 177.584 -0.048 0.000 1.195 384 A CA 1.949 53.967 52.037 -0.030 0.000 0.616 384 A CB -1.432 17.552 19.000 -0.026 0.000 0.832 384 A HN 0.467 nan 8.150 nan 0.000 0.443 385 G N -1.147 107.660 108.800 0.012 0.000 3.061 385 G HA2 0.105 4.065 3.960 0.001 0.000 0.208 385 G HA3 0.105 4.065 3.960 0.001 0.000 0.208 385 G C 1.229 175.919 174.900 -0.350 0.000 1.175 385 G CA 0.647 45.634 45.100 -0.188 0.000 0.812 385 G HN 0.527 nan 8.290 nan 0.000 0.523 386 M N 0.405 119.927 119.600 -0.129 0.000 2.200 386 M HA 0.108 4.589 4.480 0.001 0.000 0.265 386 M C 2.017 178.218 176.300 -0.164 0.000 1.066 386 M CA 1.748 57.011 55.300 -0.061 0.000 1.127 386 M CB 0.183 32.827 32.600 0.075 0.000 1.379 386 M HN 0.135 nan 8.290 nan 0.000 0.420 387 G N -1.266 107.406 108.800 -0.214 0.000 3.393 387 G HA2 0.396 4.356 3.960 0.001 0.000 0.255 387 G HA3 0.396 4.356 3.960 0.001 0.000 0.255 387 G C 1.119 175.839 174.900 -0.300 0.000 1.097 387 G CA 0.415 45.386 45.100 -0.214 0.000 0.780 387 G HN 0.533 nan 8.290 nan 0.000 0.540 388 A N 0.481 122.995 122.820 -0.509 0.000 1.930 388 A HA 0.128 4.449 4.320 0.001 0.000 0.217 388 A C 2.148 179.490 177.584 -0.403 0.000 1.175 388 A CA 0.741 52.441 52.037 -0.563 0.000 0.627 388 A CB -0.301 18.079 19.000 -1.033 0.000 0.815 388 A HN 0.366 nan 8.150 nan 0.000 0.443 389 L N -0.239 120.726 121.223 -0.430 0.000 2.046 389 L HA -0.135 4.205 4.340 0.001 0.000 0.208 389 L C 2.476 179.212 176.870 -0.224 0.000 1.077 389 L CA 1.388 56.138 54.840 -0.150 0.000 0.747 389 L CB -0.287 41.714 42.059 -0.096 0.000 0.896 389 L HN 0.275 nan 8.230 nan 0.000 0.432 390 V N 0.142 119.876 119.914 -0.300 0.000 2.343 390 V HA -0.288 3.833 4.120 0.001 0.000 0.247 390 V C 2.755 178.709 176.094 -0.235 0.000 1.051 390 V CA 1.743 63.822 62.300 -0.369 0.000 1.036 390 V CB -0.767 30.789 31.823 -0.445 0.000 0.654 390 V HN 0.563 nan 8.190 nan 0.000 0.451 391 A N -0.546 122.177 122.820 -0.161 0.000 2.015 391 A HA -0.018 4.302 4.320 0.001 0.000 0.219 391 A C 2.321 179.877 177.584 -0.046 0.000 1.163 391 A CA 1.928 53.915 52.037 -0.083 0.000 0.646 391 A CB -0.489 18.465 19.000 -0.076 0.000 0.806 391 A HN 0.561 nan 8.150 nan 0.000 0.448 392 A N -0.318 122.476 122.820 -0.042 0.000 1.861 392 A HA 0.005 4.325 4.320 0.001 0.000 0.212 392 A C 2.427 180.021 177.584 0.017 0.000 1.199 392 A CA 2.139 54.189 52.037 0.022 0.000 0.613 392 A CB -1.308 17.739 19.000 0.079 0.000 0.846 392 A HN 0.691 nan 8.150 nan 0.000 0.446 393 T N -2.716 111.819 114.554 -0.032 0.000 2.915 393 T HA -0.049 4.302 4.350 0.001 0.000 0.269 393 T C 1.481 176.124 174.700 -0.094 0.000 1.071 393 T CA 1.647 63.721 62.100 -0.042 0.000 1.132 393 T CB -0.288 68.534 68.868 -0.076 0.000 0.878 393 T HN 0.057 nan 8.240 nan 0.000 0.479 394 V N 0.760 120.599 119.914 -0.126 0.000 3.307 394 V HA 0.379 4.500 4.120 0.001 0.000 0.253 394 V C 1.659 177.764 176.094 0.017 0.000 1.149 394 V CA 0.666 62.901 62.300 -0.109 0.000 1.112 394 V CB -0.680 31.065 31.823 -0.130 0.000 0.777 394 V HN 0.671 nan 8.190 nan 0.000 0.464 395 R N 0.019 120.531 120.500 0.020 0.000 3.919 395 R HA -0.193 4.147 4.340 0.001 0.000 0.412 395 R C 0.208 176.540 176.300 0.053 0.000 1.102 395 R CA 0.734 56.862 56.100 0.046 0.000 1.082 395 R CB -1.649 28.691 30.300 0.066 0.000 1.671 395 R HN 0.541 nan 8.270 nan 0.000 0.540 396 A N 0.770 123.623 122.820 0.055 0.000 2.937 396 A HA 0.456 4.776 4.320 0.001 0.000 0.338 396 A C -1.497 176.116 177.584 0.048 0.000 1.273 396 A CA -1.144 50.938 52.037 0.076 0.000 0.937 396 A CB 0.888 19.975 19.000 0.145 0.000 1.133 396 A HN 0.242 nan 8.150 nan 0.000 0.491 397 P HA -0.163 nan 4.420 nan 0.000 0.216 397 P C 1.694 178.994 177.300 0.001 0.000 1.153 397 P CA 0.436 63.535 63.100 -0.002 0.000 0.844 397 P CB 0.190 31.887 31.700 -0.006 0.000 0.787 398 L N 0.405 121.635 121.223 0.012 0.000 2.043 398 L HA -0.142 4.198 4.340 0.001 0.000 0.212 398 L C 2.365 179.244 176.870 0.015 0.000 1.075 398 L CA 3.025 57.870 54.840 0.008 0.000 0.752 398 L CB -1.691 40.376 42.059 0.013 0.000 0.891 398 L HN 0.127 nan 8.230 nan 0.000 0.432 399 T N -1.355 113.224 114.554 0.042 0.000 2.896 399 T HA -0.025 4.325 4.350 0.001 0.000 0.263 399 T C 1.974 176.712 174.700 0.062 0.000 1.050 399 T CA 1.195 63.329 62.100 0.057 0.000 1.140 399 T CB -0.128 68.803 68.868 0.105 0.000 0.877 399 T HN 0.433 nan 8.240 nan 0.000 0.457 400 A N 1.392 124.249 122.820 0.062 0.000 1.908 400 A HA 0.077 4.398 4.320 0.001 0.000 0.218 400 A C 2.325 179.894 177.584 -0.026 0.000 1.181 400 A CA 1.597 53.648 52.037 0.024 0.000 0.627 400 A CB -0.849 18.132 19.000 -0.031 0.000 0.818 400 A HN 0.641 nan 8.150 nan 0.000 0.445 401 I N -0.387 120.162 120.570 -0.033 0.000 2.076 401 I HA -0.310 3.861 4.170 0.001 0.000 0.237 401 I C 2.459 178.553 176.117 -0.038 0.000 1.059 401 I CA 1.568 62.838 61.300 -0.051 0.000 1.317 401 I CB -0.510 37.460 38.000 -0.049 0.000 1.037 401 I HN 0.294 nan 8.210 nan 0.000 0.398 402 L N 0.148 121.359 121.223 -0.020 0.000 2.081 402 L HA -0.272 4.069 4.340 0.001 0.000 0.212 402 L C 2.597 179.452 176.870 -0.026 0.000 1.080 402 L CA 1.256 56.087 54.840 -0.016 0.000 0.754 402 L CB -0.520 41.529 42.059 -0.017 0.000 0.893 402 L HN 0.352 nan 8.230 nan 0.000 0.433 403 L N -0.206 120.996 121.223 -0.035 0.000 1.989 403 L HA -0.277 4.064 4.340 0.001 0.000 0.211 403 L C 2.917 179.742 176.870 -0.075 0.000 1.071 403 L CA 2.396 57.193 54.840 -0.071 0.000 0.749 403 L CB -0.483 41.520 42.059 -0.092 0.000 0.890 403 L HN 0.531 nan 8.230 nan 0.000 0.431 404 T N -2.118 112.396 114.554 -0.067 0.000 2.746 404 T HA -0.210 4.140 4.350 0.001 0.000 0.267 404 T C 1.820 176.496 174.700 -0.040 0.000 1.039 404 T CA 1.484 63.549 62.100 -0.060 0.000 1.142 404 T CB -0.679 68.153 68.868 -0.062 0.000 0.866 404 T HN 0.332 nan 8.240 nan 0.000 0.444 405 I N 1.371 121.923 120.570 -0.030 0.000 2.163 405 I HA -0.160 4.010 4.170 0.001 0.000 0.243 405 I C 2.901 179.019 176.117 0.001 0.000 1.085 405 I CA 1.890 63.188 61.300 -0.004 0.000 1.347 405 I CB -0.491 37.525 38.000 0.025 0.000 1.044 405 I HN 0.405 nan 8.210 nan 0.000 0.408 406 E N 0.762 120.958 120.200 -0.007 0.000 2.204 406 E HA -0.176 4.175 4.350 0.001 0.000 0.194 406 E C 1.861 178.466 176.600 0.008 0.000 0.989 406 E CA 1.177 57.576 56.400 -0.002 0.000 0.824 406 E CB -0.033 29.665 29.700 -0.003 0.000 0.756 406 E HN 0.616 nan 8.360 nan 0.000 0.477 407 M N -1.254 118.345 119.600 -0.001 0.000 2.475 407 M HA 0.221 4.701 4.480 0.001 0.000 0.283 407 M C 0.985 177.277 176.300 -0.014 0.000 1.165 407 M CA 0.337 55.644 55.300 0.011 0.000 0.976 407 M CB 0.475 33.089 32.600 0.022 0.000 1.428 407 M HN -0.117 nan 8.290 nan 0.000 0.495 408 T N -5.619 108.926 114.554 -0.015 0.000 3.080 408 T HA 0.196 4.546 4.350 0.001 0.000 0.280 408 T C 0.199 174.911 174.700 0.020 0.000 0.926 408 T CA 0.247 62.335 62.100 -0.019 0.000 0.883 408 T CB 0.088 68.934 68.868 -0.037 0.000 1.194 408 T HN 0.347 nan 8.240 nan 0.000 0.541 409 D N 1.177 121.590 120.400 0.022 0.000 3.059 409 D HA -0.140 4.501 4.640 0.001 0.000 0.213 409 D C -0.232 176.106 176.300 0.062 0.000 1.144 409 D CA 1.008 55.027 54.000 0.032 0.000 0.975 409 D CB -1.479 39.340 40.800 0.032 0.000 1.125 409 D HN 0.545 nan 8.370 nan 0.000 0.412 410 N N -0.006 118.740 118.700 0.076 0.000 2.485 410 N HA 0.134 4.874 4.740 0.001 0.000 0.243 410 N C 0.032 175.587 175.510 0.076 0.000 0.987 410 N CA -0.269 52.858 53.050 0.130 0.000 0.940 410 N CB 0.505 39.088 38.487 0.161 0.000 1.122 410 N HN 0.127 nan 8.380 nan 0.000 0.509 411 Y N 4.196 124.406 120.300 -0.150 0.000 2.497 411 Y HA 0.215 4.765 4.550 0.001 0.000 0.265 411 Y C 0.851 176.628 175.900 -0.205 0.000 1.111 411 Y CA 0.328 58.297 58.100 -0.218 0.000 1.288 411 Y CB 0.025 38.302 38.460 -0.305 0.000 1.082 411 Y HN 0.428 nan 8.280 nan 0.000 0.536 412 F N -0.610 119.332 119.950 -0.012 0.000 2.307 412 F HA -0.167 4.361 4.527 0.001 0.000 0.301 412 F C 1.788 177.484 175.800 -0.173 0.000 1.076 412 F CA 1.093 59.055 58.000 -0.063 0.000 1.383 412 F CB -0.641 38.369 39.000 0.017 0.000 1.055 412 F HN -0.135 nan 8.300 nan 0.000 0.526 413 V N 0.431 120.324 119.914 -0.035 0.000 3.563 413 V HA -0.039 4.081 4.120 0.001 0.000 0.299 413 V C 1.907 177.836 176.094 -0.275 0.000 1.290 413 V CA 0.189 62.417 62.300 -0.120 0.000 1.201 413 V CB -0.788 30.998 31.823 -0.062 0.000 1.045 413 V HN 0.375 nan 8.190 nan 0.000 0.425 414 I N -0.240 120.086 120.570 -0.407 0.000 2.179 414 I HA -0.222 3.949 4.170 0.001 0.000 0.242 414 I C 2.230 178.146 176.117 -0.335 0.000 1.088 414 I CA 1.736 62.761 61.300 -0.460 0.000 1.357 414 I CB 0.204 37.731 38.000 -0.788 0.000 1.051 414 I HN 0.277 nan 8.210 nan 0.000 0.409 415 L N 0.913 121.957 121.223 -0.298 0.000 1.989 415 L HA -0.162 4.179 4.340 0.001 0.000 0.211 415 L C -0.252 176.406 176.870 -0.354 0.000 1.071 415 L CA 1.723 56.413 54.840 -0.248 0.000 0.749 415 L CB -2.293 39.662 42.059 -0.174 0.000 0.890 415 L HN 0.225 nan 8.230 nan 0.000 0.431 416 P HA -0.220 nan 4.420 nan 0.000 0.214 416 P C 2.000 178.903 177.300 -0.661 0.000 1.163 416 P CA 1.391 63.823 63.100 -1.113 0.000 0.889 416 P CB 0.027 30.692 31.700 -1.725 0.000 0.790 417 L N -1.193 119.756 121.223 -0.457 0.000 1.976 417 L HA -0.274 4.067 4.340 0.001 0.000 0.223 417 L C 2.468 179.214 176.870 -0.207 0.000 1.081 417 L CA 1.845 56.520 54.840 -0.274 0.000 0.784 417 L CB -1.000 40.923 42.059 -0.226 0.000 0.896 417 L HN -0.026 nan 8.230 nan 0.000 0.438 418 L N -1.254 119.852 121.223 -0.195 0.000 1.956 418 L HA -0.314 4.026 4.340 0.001 0.000 0.216 418 L C 2.427 179.235 176.870 -0.104 0.000 1.073 418 L CA 1.771 56.534 54.840 -0.130 0.000 0.762 418 L CB -0.489 41.500 42.059 -0.117 0.000 0.889 418 L HN 0.133 nan 8.230 nan 0.000 0.433 419 V N -1.037 118.806 119.914 -0.120 0.000 2.233 419 V HA -0.386 3.734 4.120 0.001 0.000 0.247 419 V C 2.580 178.659 176.094 -0.024 0.000 1.050 419 V CA 2.543 64.808 62.300 -0.060 0.000 1.010 419 V CB -0.863 30.932 31.823 -0.047 0.000 0.637 419 V HN 0.597 nan 8.190 nan 0.000 0.444 420 T N -1.762 112.772 114.554 -0.033 0.000 2.759 420 T HA -0.256 4.095 4.350 0.001 0.000 0.269 420 T C 1.903 176.603 174.700 0.001 0.000 1.042 420 T CA 2.323 64.448 62.100 0.043 0.000 1.140 420 T CB -0.445 68.484 68.868 0.102 0.000 0.864 420 T HN 0.572 nan 8.240 nan 0.000 0.455 421 C N 0.932 120.198 119.300 -0.057 0.000 2.489 421 C HA 0.143 4.603 4.460 0.001 0.000 0.279 421 C C 2.590 177.562 174.990 -0.029 0.000 1.266 421 C CA 0.856 59.833 59.018 -0.070 0.000 1.707 421 C CB -1.191 26.495 27.740 -0.091 0.000 2.059 421 C HN 0.803 nan 8.230 nan 0.000 0.481 422 L N 0.051 121.260 121.223 -0.022 0.000 2.217 422 L HA 0.060 4.401 4.340 0.001 0.000 0.211 422 L C 2.083 178.962 176.870 0.015 0.000 1.107 422 L CA 1.753 56.591 54.840 -0.004 0.000 0.783 422 L CB -1.245 40.810 42.059 -0.008 0.000 0.919 422 L HN 0.125 nan 8.230 nan 0.000 0.442 423 V N 0.912 120.839 119.914 0.022 0.000 2.343 423 V HA -0.228 3.893 4.120 0.001 0.000 0.247 423 V C 3.021 179.149 176.094 0.056 0.000 1.051 423 V CA 1.735 64.060 62.300 0.041 0.000 1.036 423 V CB -1.117 30.737 31.823 0.052 0.000 0.654 423 V HN 0.659 nan 8.190 nan 0.000 0.451 424 A N -0.961 121.897 122.820 0.064 0.000 1.969 424 A HA -0.197 4.123 4.320 0.001 0.000 0.218 424 A C 2.539 180.165 177.584 0.072 0.000 1.169 424 A CA 2.000 54.093 52.037 0.092 0.000 0.635 424 A CB -0.620 18.445 19.000 0.110 0.000 0.810 424 A HN 0.485 nan 8.150 nan 0.000 0.445 425 S N -0.616 115.109 115.700 0.043 0.000 2.355 425 S HA -0.115 4.355 4.470 0.001 0.000 0.222 425 S C 1.927 176.558 174.600 0.052 0.000 1.031 425 S CA 1.601 59.825 58.200 0.040 0.000 0.993 425 S CB -0.464 62.751 63.200 0.024 0.000 0.859 425 S HN 0.283 nan 8.310 nan 0.000 0.453 426 V N 1.571 121.512 119.914 0.045 0.000 2.237 426 V HA -0.130 3.990 4.120 0.001 0.000 0.245 426 V C 2.532 178.655 176.094 0.048 0.000 1.046 426 V CA 1.904 64.230 62.300 0.043 0.000 1.007 426 V CB -0.838 31.006 31.823 0.035 0.000 0.638 426 V HN 0.430 nan 8.190 nan 0.000 0.445 427 V N 0.344 120.288 119.914 0.050 0.000 2.324 427 V HA -0.324 3.797 4.120 0.001 0.000 0.250 427 V C 2.675 178.797 176.094 0.047 0.000 1.060 427 V CA 2.197 64.522 62.300 0.041 0.000 1.042 427 V CB -1.214 30.638 31.823 0.049 0.000 0.650 427 V HN 0.580 nan 8.190 nan 0.000 0.450 428 A N -0.482 122.391 122.820 0.089 0.000 1.858 428 A HA -0.202 4.119 4.320 0.001 0.000 0.216 428 A C 1.931 179.609 177.584 0.156 0.000 1.190 428 A CA 1.553 53.679 52.037 0.148 0.000 0.617 428 A CB -0.417 18.678 19.000 0.159 0.000 0.827 428 A HN 0.611 nan 8.150 nan 0.000 0.443 429 E N -0.610 119.658 120.200 0.113 0.000 2.320 429 E HA 0.352 4.703 4.350 0.001 0.000 0.189 429 E C 0.887 177.531 176.600 0.074 0.000 1.100 429 E CA 0.189 56.653 56.400 0.106 0.000 1.009 429 E CB 0.014 29.767 29.700 0.088 0.000 1.145 429 E HN 0.586 nan 8.360 nan 0.000 0.454 430 A N -0.109 122.743 122.820 0.052 0.000 2.211 430 A HA 0.173 4.493 4.320 0.001 0.000 0.208 430 A C 1.565 179.142 177.584 -0.013 0.000 1.250 430 A CA -0.172 51.878 52.037 0.022 0.000 0.935 430 A CB 0.299 19.305 19.000 0.011 0.000 0.982 430 A HN 0.199 nan 8.150 nan 0.000 0.490 431 L N -0.254 120.937 121.223 -0.055 0.000 2.592 431 L HA 0.292 4.632 4.340 0.001 0.000 0.227 431 L C 1.155 178.033 176.870 0.014 0.000 1.127 431 L CA 0.564 55.282 54.840 -0.203 0.000 0.884 431 L CB -0.082 41.564 42.059 -0.689 0.000 1.065 431 L HN 0.500 nan 8.230 nan 0.000 0.457 432 G N 0.613 109.499 108.800 0.143 0.000 2.623 432 G HA2 -0.173 3.788 3.960 0.001 0.000 0.281 432 G HA3 -0.173 3.788 3.960 0.001 0.000 0.281 432 G C 0.592 175.711 174.900 0.364 0.000 1.087 432 G CA 0.062 45.294 45.100 0.219 0.000 1.244 432 G HN 0.438 nan 8.290 nan 0.000 0.544 433 G N -0.089 108.902 108.800 0.319 0.000 2.651 433 G HA2 0.446 4.406 3.960 0.001 0.000 0.207 433 G HA3 0.446 4.406 3.960 0.001 0.000 0.207 433 G C 0.599 175.617 174.900 0.198 0.000 1.131 433 G CA 0.665 45.932 45.100 0.278 0.000 0.816 433 G HN 1.236 nan 8.290 nan 0.000 0.534 434 K N -0.184 120.316 120.400 0.166 0.000 7.265 434 K HA -0.112 4.208 4.320 0.001 0.000 0.656 434 K C -2.860 173.828 176.600 0.147 0.000 2.578 434 K CA -0.171 56.200 56.287 0.139 0.000 1.945 434 K CB -0.727 31.847 32.500 0.124 0.000 2.193 434 K HN 0.128 nan 8.250 nan 0.000 0.248 435 P HA -0.048 nan 4.420 nan 0.000 0.258 435 P C 0.870 178.248 177.300 0.129 0.000 1.172 435 P CA 0.278 63.442 63.100 0.106 0.000 0.762 435 P CB 0.354 32.125 31.700 0.119 0.000 0.764 436 I N 3.266 123.872 120.570 0.059 0.000 2.423 436 I HA -0.299 3.871 4.170 0.001 0.000 0.254 436 I C 0.940 177.128 176.117 0.118 0.000 1.151 436 I CA 1.661 63.017 61.300 0.092 0.000 1.421 436 I CB 0.030 37.945 38.000 -0.141 0.000 1.079 436 I HN 0.312 nan 8.210 nan 0.000 0.431 437 Y N 0.789 121.177 120.300 0.146 0.000 2.269 437 Y HA -0.145 4.405 4.550 0.001 0.000 0.294 437 Y C 3.014 178.981 175.900 0.111 0.000 1.120 437 Y CA 1.506 59.686 58.100 0.133 0.000 1.159 437 Y CB -1.300 37.239 38.460 0.131 0.000 1.024 437 Y HN 0.300 nan 8.280 nan 0.000 0.532 438 T N -2.809 111.896 114.554 0.252 0.000 2.867 438 T HA -0.107 4.244 4.350 0.001 0.000 0.268 438 T C 1.959 176.717 174.700 0.097 0.000 1.057 438 T CA 1.402 63.594 62.100 0.153 0.000 1.136 438 T CB -0.979 67.960 68.868 0.119 0.000 0.874 438 T HN 0.073 nan 8.240 nan 0.000 0.466 439 V N 0.895 120.857 119.914 0.081 0.000 2.379 439 V HA 0.035 4.155 4.120 0.001 0.000 0.245 439 V C 2.611 178.691 176.094 -0.023 0.000 1.044 439 V CA 0.944 63.214 62.300 -0.050 0.000 1.036 439 V CB -0.674 31.022 31.823 -0.211 0.000 0.664 439 V HN 0.331 nan 8.190 nan 0.000 0.453 440 L N -0.311 120.988 121.223 0.127 0.000 2.191 440 L HA -0.101 4.240 4.340 0.001 0.000 0.212 440 L C 2.106 179.063 176.870 0.146 0.000 1.103 440 L CA 1.624 56.579 54.840 0.191 0.000 0.769 440 L CB -0.741 41.522 42.059 0.341 0.000 0.908 440 L HN 0.241 nan 8.230 nan 0.000 0.438 441 L N -1.055 120.246 121.223 0.131 0.000 2.131 441 L HA -0.128 4.212 4.340 0.001 0.000 0.206 441 L C 2.195 179.098 176.870 0.054 0.000 1.087 441 L CA 1.359 56.256 54.840 0.096 0.000 0.767 441 L CB -0.407 41.711 42.059 0.098 0.000 0.917 441 L HN 0.365 nan 8.230 nan 0.000 0.441 442 E N -0.112 120.107 120.200 0.032 0.000 2.118 442 E HA -0.248 4.102 4.350 0.001 0.000 0.195 442 E C 2.174 178.771 176.600 -0.004 0.000 0.992 442 E CA 1.334 57.735 56.400 0.003 0.000 0.804 442 E CB 0.010 29.694 29.700 -0.026 0.000 0.741 442 E HN 0.513 nan 8.360 nan 0.000 0.458 443 R N 0.089 120.585 120.500 -0.005 0.000 2.073 443 R HA -0.078 4.263 4.340 0.001 0.000 0.229 443 R C 2.721 179.035 176.300 0.024 0.000 1.120 443 R CA 1.753 57.853 56.100 0.000 0.000 0.967 443 R CB -0.515 29.787 30.300 0.004 0.000 0.862 443 R HN 0.281 nan 8.270 nan 0.000 0.436 444 T N -0.254 114.326 114.554 0.043 0.000 2.867 444 T HA -0.038 4.312 4.350 0.001 0.000 0.268 444 T C 1.987 176.705 174.700 0.030 0.000 1.057 444 T CA 0.813 62.939 62.100 0.044 0.000 1.136 444 T CB -0.237 68.669 68.868 0.062 0.000 0.874 444 T HN 0.096 nan 8.240 nan 0.000 0.466 445 L N 0.885 122.124 121.223 0.026 0.000 2.093 445 L HA 0.100 4.441 4.340 0.001 0.000 0.208 445 L C 3.254 180.129 176.870 0.008 0.000 1.085 445 L CA 1.101 55.950 54.840 0.016 0.000 0.755 445 L CB -0.799 41.269 42.059 0.015 0.000 0.904 445 L HN 0.375 nan 8.230 nan 0.000 0.435 446 A N -0.236 122.588 122.820 0.006 0.000 2.178 446 A HA -0.162 4.158 4.320 0.001 0.000 0.218 446 A C 1.535 179.120 177.584 0.002 0.000 1.157 446 A CA 1.142 53.180 52.037 0.001 0.000 0.689 446 A CB -0.330 18.668 19.000 -0.003 0.000 0.787 446 A HN 0.180 nan 8.150 nan 0.000 0.465 447 K N 0.608 121.012 120.400 0.006 0.000 2.994 447 K HA 0.158 4.479 4.320 0.001 0.000 0.231 447 K C -0.037 176.564 176.600 0.001 0.000 1.174 447 K CA -0.039 56.251 56.287 0.004 0.000 1.221 447 K CB 0.225 32.730 32.500 0.009 0.000 1.166 447 K HN 0.614 nan 8.250 nan 0.000 0.453 448 Q N 0.940 120.740 119.800 -0.001 0.000 3.141 448 Q HA 0.086 4.427 4.340 0.001 0.000 0.304 448 Q C 0.025 176.021 176.000 -0.008 0.000 1.305 448 Q CA 0.035 55.836 55.803 -0.004 0.000 0.929 448 Q CB -0.600 28.136 28.738 -0.004 0.000 1.701 448 Q HN 0.329 nan 8.270 nan 0.000 0.483 449 N N -0.714 117.981 118.700 -0.009 0.000 2.201 449 N HA -0.080 4.660 4.740 0.001 0.000 0.281 449 N C -0.414 175.086 175.510 -0.015 0.000 1.407 449 N CA -0.292 52.750 53.050 -0.014 0.000 1.712 449 N CB -0.248 38.231 38.487 -0.014 0.000 1.569 449 N HN 0.257 nan 8.380 nan 0.000 0.881 450 R N 0.000 120.493 120.500 -0.011 0.000 2.786 450 R HA 0.000 4.340 4.340 0.001 0.000 0.208 450 R CA 0.000 56.093 56.100 -0.011 0.000 0.921 450 R CB 0.000 30.294 30.300 -0.010 0.000 0.687 450 R HN 0.000 nan 8.270 nan 0.000 0.535