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 2b9b_1_A DATA FIRST_RESID 21 DATA SEQUENCE DPAALMQIGV IPTNVRQLMY YTEASSAFIV VKLMPTIDSP ISGcNITSIS DATA SEQUENCE SYNATVTKLL QPIGENLETI RNQLIPTXXR RRFAGVVIGL AALGVATAAQ DATA SEQUENCE VTAAVALVKA NENAAAILNL KNAIQKTNAA VADVVQATQS LGTAVQAVQD DATA SEQUENCE HINSVVSPAI TAANcKAQDA IIGSILNLYL TELTTIFHNQ ITNPALSPIT DATA SEQUENCE IQALRILLGS TLPTVVEKSF NTQISAAELL SSGLLTGQIV GLDLTYMQMV DATA SEQUENCE IKIELPTLTV QPATQIIDLA TISAFINNQE VMAQLPTRVM VTGSLIQAYP DATA SEQUENCE ASQcTITPNT VYcRYNDAQV LSDDTMAcLQ GNLTRcTFSP VVGSFLTRFV DATA SEQUENCE LFDGIVYANc RSMLcKcMQP AAVILQPSSS PVTVIDMYKc VSLQLDNLRF DATA SEQUENCE TITQLANVXX XXTIKLESSQ ILSIDPLDIS QNLAAVNKSL SDALQHLAQS DATA SEQUENCE DTYLSAIEDK IEEILSKIYH IENEIARIKK LIGE 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 21 D HA 0.000 nan 4.640 nan 0.000 0.175 21 D C 0.000 176.300 176.300 -0.001 0.000 2.045 21 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 21 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 22 P HA 0.238 nan 4.420 nan 0.000 0.258 22 P C -0.026 177.272 177.300 -0.003 0.000 1.214 22 P CA 0.423 63.524 63.100 0.003 0.000 0.872 22 P CB 0.625 32.328 31.700 0.006 0.000 0.890 23 A N 3.886 126.704 122.820 -0.004 0.000 2.259 23 A HA 0.006 4.326 4.320 -0.000 0.000 0.212 23 A C 1.858 179.420 177.584 -0.037 0.000 1.178 23 A CA 1.123 53.146 52.037 -0.024 0.000 0.734 23 A CB -0.697 18.296 19.000 -0.013 0.000 0.774 23 A HN 0.498 nan 8.150 nan 0.000 0.481 24 A N -0.803 122.012 122.820 -0.010 0.000 2.252 24 A HA 0.222 4.542 4.320 -0.000 0.000 0.207 24 A C 1.532 179.122 177.584 0.009 0.000 1.194 24 A CA 0.771 52.810 52.037 0.004 0.000 0.809 24 A CB -0.461 18.548 19.000 0.016 0.000 0.814 24 A HN 0.658 nan 8.150 nan 0.000 0.482 25 L N -0.243 120.976 121.223 -0.006 0.000 2.650 25 L HA 0.153 4.493 4.340 -0.000 0.000 0.235 25 L C 1.661 178.530 176.870 -0.003 0.000 1.149 25 L CA 1.026 55.867 54.840 0.001 0.000 0.887 25 L CB -0.686 41.365 42.059 -0.014 0.000 1.021 25 L HN 0.592 nan 8.230 nan 0.000 0.441 26 M N -3.760 115.828 119.600 -0.020 0.000 2.453 26 M HA 0.194 4.674 4.480 -0.000 0.000 0.239 26 M C 1.068 177.420 176.300 0.087 0.000 1.151 26 M CA 0.375 55.660 55.300 -0.026 0.000 0.989 26 M CB -0.151 32.327 32.600 -0.203 0.000 1.548 26 M HN 0.218 nan 8.290 nan 0.000 0.479 27 Q N 0.770 120.621 119.800 0.086 0.000 2.212 27 Q HA 0.072 4.412 4.340 -0.000 0.000 0.199 27 Q C 1.894 177.962 176.000 0.114 0.000 0.950 27 Q CA 0.766 56.629 55.803 0.100 0.000 0.863 27 Q CB 0.365 29.145 28.738 0.070 0.000 0.944 27 Q HN 0.510 nan 8.270 nan 0.000 0.465 28 I N -0.895 119.752 120.570 0.129 0.000 2.353 28 I HA -0.059 4.111 4.170 -0.000 0.000 0.248 28 I C 1.557 177.791 176.117 0.194 0.000 1.119 28 I CA 1.740 63.165 61.300 0.208 0.000 1.417 28 I CB -0.477 37.667 38.000 0.239 0.000 1.078 28 I HN 0.417 nan 8.210 nan 0.000 0.421 29 G N 0.265 109.139 108.800 0.122 0.000 2.273 29 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.162 29 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.162 29 G C 0.344 175.264 174.900 0.033 0.000 1.006 29 G CA 0.077 45.236 45.100 0.100 0.000 0.704 29 G HN 0.280 nan 8.290 nan 0.000 0.487 30 V N 1.876 121.791 119.914 0.003 0.000 2.385 30 V HA 0.803 4.923 4.120 -0.000 0.000 0.269 30 V C 0.393 176.437 176.094 -0.083 0.000 1.043 30 V CA -0.775 61.502 62.300 -0.038 0.000 0.906 30 V CB 0.659 32.455 31.823 -0.045 0.000 0.995 30 V HN 0.842 nan 8.190 nan 0.000 0.467 31 I N 4.210 124.721 120.570 -0.098 0.000 2.493 31 I HA 0.778 4.948 4.170 -0.000 0.000 0.298 31 I C -2.772 173.315 176.117 -0.050 0.000 0.998 31 I CA -2.818 58.388 61.300 -0.155 0.000 1.137 31 I CB 2.068 39.947 38.000 -0.202 0.000 1.310 31 I HN 0.342 nan 8.210 nan 0.000 0.445 32 P HA 0.239 nan 4.420 nan 0.000 0.280 32 P C 0.224 177.600 177.300 0.126 0.000 1.244 32 P CA -0.254 62.885 63.100 0.065 0.000 0.784 32 P CB 1.195 32.950 31.700 0.092 0.000 0.913 33 T N -1.845 112.743 114.554 0.056 0.000 3.004 33 T HA 0.283 4.633 4.350 -0.000 0.000 0.266 33 T C 0.348 175.046 174.700 -0.003 0.000 0.986 33 T CA -0.042 62.077 62.100 0.031 0.000 0.902 33 T CB -0.145 68.727 68.868 0.005 0.000 1.118 33 T HN 0.233 nan 8.240 nan 0.000 0.522 34 N N 0.753 119.454 118.700 0.002 0.000 2.636 34 N HA 0.429 5.169 4.740 -0.000 0.000 0.261 34 N C -1.993 173.512 175.510 -0.008 0.000 1.195 34 N CA -0.433 52.610 53.050 -0.013 0.000 0.902 34 N CB 2.928 41.408 38.487 -0.013 0.000 1.627 34 N HN 0.202 nan 8.380 nan 0.000 0.491 35 V N -0.509 119.395 119.914 -0.016 0.000 2.445 35 V HA 0.629 4.749 4.120 -0.000 0.000 0.283 35 V C -0.242 175.839 176.094 -0.022 0.000 1.014 35 V CA -0.777 61.513 62.300 -0.016 0.000 0.852 35 V CB 1.144 32.960 31.823 -0.012 0.000 1.021 35 V HN 0.511 nan 8.190 nan 0.000 0.435 36 R N 2.704 123.189 120.500 -0.024 0.000 2.828 36 R HA 0.670 5.010 4.340 -0.000 0.000 0.264 36 R C -0.607 175.672 176.300 -0.034 0.000 1.022 36 R CA -0.799 55.286 56.100 -0.025 0.000 1.021 36 R CB 2.161 32.450 30.300 -0.017 0.000 1.163 36 R HN 0.762 nan 8.270 nan 0.000 0.494 37 Q N 0.645 120.428 119.800 -0.028 0.000 2.212 37 Q HA 0.344 4.684 4.340 -0.000 0.000 0.238 37 Q C -1.015 174.966 176.000 -0.032 0.000 0.955 37 Q CA -0.879 54.906 55.803 -0.030 0.000 0.906 37 Q CB 1.444 30.171 28.738 -0.019 0.000 1.215 37 Q HN 0.178 nan 8.270 nan 0.000 0.478 38 L N 1.825 123.028 121.223 -0.033 0.000 2.287 38 L HA 0.435 4.775 4.340 -0.000 0.000 0.287 38 L C -1.222 175.675 176.870 0.045 0.000 1.022 38 L CA 0.237 55.063 54.840 -0.024 0.000 0.814 38 L CB 1.016 43.019 42.059 -0.093 0.000 1.217 38 L HN 0.598 nan 8.230 nan 0.000 0.420 39 M N 5.698 125.329 119.600 0.051 0.000 2.364 39 M HA 0.426 4.906 4.480 -0.000 0.000 0.334 39 M C -1.177 175.192 176.300 0.115 0.000 1.107 39 M CA -0.687 54.624 55.300 0.018 0.000 0.988 39 M CB 1.698 34.283 32.600 -0.025 0.000 1.673 39 M HN 0.592 nan 8.290 nan 0.000 0.441 40 Y N -0.556 119.817 120.300 0.122 0.000 2.602 40 Y HA 0.614 5.164 4.550 -0.000 0.000 0.330 40 Y C -1.460 174.649 175.900 0.348 0.000 1.114 40 Y CA -1.486 56.695 58.100 0.135 0.000 1.182 40 Y CB 0.599 39.092 38.460 0.053 0.000 1.305 40 Y HN 0.467 nan 8.280 nan 0.000 0.502 41 Y N 1.412 121.802 120.300 0.149 0.000 2.383 41 Y HA 0.197 4.747 4.550 -0.000 0.000 0.344 41 Y C 0.759 176.742 175.900 0.139 0.000 0.986 41 Y CA -0.706 57.430 58.100 0.059 0.000 1.175 41 Y CB 1.684 40.171 38.460 0.045 0.000 1.152 41 Y HN 0.816 nan 8.280 nan 0.000 0.511 42 T N 2.375 117.047 114.554 0.196 0.000 2.818 42 T HA 0.025 4.375 4.350 -0.000 0.000 0.246 42 T C 0.183 174.953 174.700 0.116 0.000 1.036 42 T CA 0.754 62.961 62.100 0.179 0.000 1.160 42 T CB 0.145 69.073 68.868 0.101 0.000 0.869 42 T HN 0.597 nan 8.240 nan 0.000 0.419 43 E N -0.797 119.435 120.200 0.053 0.000 2.456 43 E HA 0.718 5.068 4.350 -0.000 0.000 0.276 43 E C -1.534 175.059 176.600 -0.011 0.000 0.981 43 E CA -1.033 55.388 56.400 0.035 0.000 0.814 43 E CB 2.254 31.971 29.700 0.028 0.000 1.382 43 E HN 0.282 nan 8.360 nan 0.000 0.459 44 A N 0.761 123.578 122.820 -0.005 0.000 2.393 44 A HA 0.607 4.927 4.320 -0.000 0.000 0.306 44 A C -0.818 176.762 177.584 -0.007 0.000 1.050 44 A CA -0.752 51.262 52.037 -0.039 0.000 0.724 44 A CB 1.438 20.419 19.000 -0.032 0.000 1.248 44 A HN 0.506 nan 8.150 nan 0.000 0.424 45 S N 1.449 117.139 115.700 -0.016 0.000 2.525 45 S HA 0.732 5.202 4.470 -0.000 0.000 0.278 45 S C 0.261 174.960 174.600 0.165 0.000 1.234 45 S CA 0.191 58.435 58.200 0.073 0.000 1.058 45 S CB 1.080 64.335 63.200 0.090 0.000 0.983 45 S HN 1.793 nan 8.310 nan 0.000 0.495 46 S N 1.617 117.423 115.700 0.177 0.000 2.751 46 S HA 0.973 5.443 4.470 -0.000 0.000 0.310 46 S C -0.544 174.100 174.600 0.073 0.000 1.128 46 S CA -0.607 57.679 58.200 0.143 0.000 0.931 46 S CB 1.331 64.510 63.200 -0.035 0.000 1.177 46 S HN 2.017 nan 8.310 nan 0.000 0.530 47 A N 0.189 122.941 122.820 -0.113 0.000 2.582 47 A HA 0.654 4.974 4.320 -0.000 0.000 0.297 47 A C -1.806 175.638 177.584 -0.233 0.000 1.059 47 A CA -0.718 51.216 52.037 -0.172 0.000 0.705 47 A CB 0.483 19.210 19.000 -0.455 0.000 1.279 47 A HN 0.638 nan 8.150 nan 0.000 0.404 48 F N 2.206 122.121 119.950 -0.059 0.000 2.443 48 F HA 0.701 5.228 4.527 -0.000 0.000 0.335 48 F C 0.276 176.054 175.800 -0.037 0.000 1.104 48 F CA -0.575 57.408 58.000 -0.029 0.000 1.013 48 F CB 1.613 40.602 39.000 -0.019 0.000 1.136 48 F HN 0.320 nan 8.300 nan 0.000 0.470 49 I N 3.340 123.995 120.570 0.142 0.000 2.785 49 I HA 0.464 4.634 4.170 -0.000 0.000 0.302 49 I C -0.781 175.401 176.117 0.108 0.000 1.069 49 I CA -1.038 60.314 61.300 0.088 0.000 1.045 49 I CB 1.960 39.988 38.000 0.048 0.000 1.236 49 I HN 0.127 nan 8.210 nan 0.000 0.429 50 V N 5.214 125.178 119.914 0.082 0.000 2.378 50 V HA 0.356 4.476 4.120 -0.000 0.000 0.288 50 V C -0.029 176.115 176.094 0.083 0.000 1.016 50 V CA -0.800 61.548 62.300 0.079 0.000 0.840 50 V CB 1.818 33.675 31.823 0.057 0.000 0.994 50 V HN 0.410 nan 8.190 nan 0.000 0.431 51 V N 4.844 124.819 119.914 0.102 0.000 2.389 51 V HA 0.267 4.387 4.120 -0.000 0.000 0.264 51 V C 0.488 176.660 176.094 0.131 0.000 1.049 51 V CA -0.518 61.857 62.300 0.126 0.000 0.932 51 V CB 1.028 32.950 31.823 0.165 0.000 1.011 51 V HN 0.822 nan 8.190 nan 0.000 0.475 52 K N 4.671 125.141 120.400 0.118 0.000 2.219 52 K HA 0.355 4.675 4.320 -0.000 0.000 0.280 52 K C 0.813 177.508 176.600 0.158 0.000 1.104 52 K CA -0.332 56.027 56.287 0.119 0.000 0.925 52 K CB 0.453 33.003 32.500 0.083 0.000 1.261 52 K HN 0.657 nan 8.250 nan 0.000 0.445 53 L N 2.842 124.195 121.223 0.216 0.000 2.141 53 L HA -0.034 4.306 4.340 -0.000 0.000 0.209 53 L C 1.086 178.186 176.870 0.384 0.000 1.094 53 L CA 0.642 55.691 54.840 0.348 0.000 0.763 53 L CB -0.156 42.092 42.059 0.314 0.000 0.908 53 L HN 0.605 nan 8.230 nan 0.000 0.437 54 M N 1.869 121.629 119.600 0.267 0.000 2.113 54 M HA 0.369 4.849 4.480 -0.000 0.000 0.352 54 M C -2.440 173.907 176.300 0.079 0.000 1.170 54 M CA -2.780 52.653 55.300 0.221 0.000 1.053 54 M CB 0.884 33.598 32.600 0.189 0.000 1.601 54 M HN -0.293 nan 8.290 nan 0.000 0.459 55 P HA 0.194 nan 4.420 nan 0.000 0.276 55 P C -0.989 176.298 177.300 -0.022 0.000 1.252 55 P CA -0.313 62.761 63.100 -0.042 0.000 0.802 55 P CB 0.419 32.050 31.700 -0.115 0.000 1.035 56 T N 2.103 116.646 114.554 -0.018 0.000 2.780 56 T HA 0.444 4.794 4.350 -0.000 0.000 0.294 56 T C 0.331 175.017 174.700 -0.022 0.000 0.949 56 T CA -0.009 62.086 62.100 -0.009 0.000 1.074 56 T CB -0.232 68.637 68.868 0.001 0.000 0.910 56 T HN 0.235 nan 8.240 nan 0.000 0.501 57 I N 3.621 124.180 120.570 -0.019 0.000 2.563 57 I HA 0.200 4.370 4.170 -0.000 0.000 0.276 57 I C -0.240 175.869 176.117 -0.015 0.000 1.074 57 I CA -0.722 60.564 61.300 -0.024 0.000 1.124 57 I CB 1.237 39.218 38.000 -0.032 0.000 1.225 57 I HN 0.632 nan 8.210 nan 0.000 0.482 58 D N 1.745 122.139 120.400 -0.011 0.000 2.342 58 D HA 0.001 4.641 4.640 -0.000 0.000 0.221 58 D C 0.709 177.004 176.300 -0.007 0.000 1.101 58 D CA -0.156 53.840 54.000 -0.006 0.000 0.837 58 D CB 0.178 40.977 40.800 -0.002 0.000 0.938 58 D HN 0.332 nan 8.370 nan 0.000 0.508 59 S N 0.808 116.502 115.700 -0.010 0.000 2.545 59 S HA 0.388 4.858 4.470 -0.000 0.000 0.275 59 S C -2.127 172.468 174.600 -0.008 0.000 1.299 59 S CA -1.357 56.837 58.200 -0.009 0.000 1.048 59 S CB 0.850 64.044 63.200 -0.011 0.000 0.938 59 S HN -0.005 nan 8.310 nan 0.000 0.496 60 P HA 0.225 nan 4.420 nan 0.000 0.266 60 P C -0.858 176.438 177.300 -0.007 0.000 1.195 60 P CA 0.007 63.103 63.100 -0.006 0.000 0.768 60 P CB 0.218 31.915 31.700 -0.004 0.000 0.838 61 I N 1.826 122.392 120.570 -0.006 0.000 2.466 61 I HA 0.319 4.489 4.170 -0.000 0.000 0.289 61 I C 0.023 176.136 176.117 -0.005 0.000 1.026 61 I CA -0.445 60.851 61.300 -0.007 0.000 1.078 61 I CB 2.098 40.094 38.000 -0.008 0.000 1.249 61 I HN 0.361 nan 8.210 nan 0.000 0.429 62 S N 2.798 118.495 115.700 -0.005 0.000 2.540 62 S HA 0.693 5.163 4.470 -0.000 0.000 0.275 62 S C 0.350 174.948 174.600 -0.004 0.000 1.123 62 S CA -0.156 58.042 58.200 -0.004 0.000 0.907 62 S CB 1.850 65.048 63.200 -0.003 0.000 1.081 62 S HN 1.280 nan 8.310 nan 0.000 0.476 63 G N 0.180 108.978 108.800 -0.003 0.000 2.258 63 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.274 63 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.274 63 G C 0.278 175.177 174.900 -0.003 0.000 1.021 63 G CA 0.286 45.385 45.100 -0.003 0.000 0.798 63 G HN 1.856 nan 8.290 nan 0.000 0.507 64 c N -0.370 118.228 118.600 -0.003 0.000 3.090 64 c HA 0.762 5.332 4.570 -0.000 0.000 0.347 64 c C -0.773 173.315 174.090 -0.004 0.000 1.147 64 c CA -0.946 55.381 56.329 -0.004 0.000 1.305 64 c CB 1.862 44.369 42.510 -0.005 0.000 1.692 64 c HN 0.567 nan 8.230 nan 0.000 0.506 65 N N 3.682 122.380 118.700 -0.003 0.000 2.314 65 N HA 0.555 5.295 4.740 -0.000 0.000 0.294 65 N C -1.184 174.325 175.510 -0.002 0.000 1.029 65 N CA -0.455 52.594 53.050 -0.002 0.000 0.845 65 N CB 1.332 39.819 38.487 -0.000 0.000 1.321 65 N HN 0.759 nan 8.380 nan 0.000 0.481 66 I N 3.408 123.977 120.570 -0.002 0.000 2.316 66 I HA 0.039 4.209 4.170 -0.000 0.000 0.286 66 I C 1.805 177.925 176.117 0.006 0.000 1.107 66 I CA -0.241 61.057 61.300 -0.002 0.000 1.219 66 I CB 0.601 38.596 38.000 -0.009 0.000 1.455 66 I HN 0.656 nan 8.210 nan 0.000 0.498 67 T N 0.316 114.875 114.554 0.008 0.000 2.737 67 T HA -0.229 4.121 4.350 -0.000 0.000 0.269 67 T C 2.009 176.726 174.700 0.029 0.000 1.040 67 T CA 1.841 63.951 62.100 0.016 0.000 1.142 67 T CB -0.338 68.538 68.868 0.014 0.000 0.861 67 T HN 0.606 nan 8.240 nan 0.000 0.456 68 S N 2.440 118.155 115.700 0.026 0.000 2.374 68 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 68 S C 2.084 176.730 174.600 0.076 0.000 1.037 68 S CA 1.225 59.451 58.200 0.044 0.000 1.024 68 S CB -0.857 62.355 63.200 0.020 0.000 0.861 68 S HN 0.486 nan 8.310 nan 0.000 0.456 69 I N 2.568 123.168 120.570 0.050 0.000 2.118 69 I HA -0.168 4.002 4.170 -0.000 0.000 0.241 69 I C 2.745 178.928 176.117 0.110 0.000 1.070 69 I CA 1.574 62.918 61.300 0.074 0.000 1.327 69 I CB -1.840 36.180 38.000 0.033 0.000 1.034 69 I HN 0.352 nan 8.210 nan 0.000 0.405 70 S N 0.944 116.683 115.700 0.065 0.000 2.353 70 S HA -0.165 4.305 4.470 -0.000 0.000 0.222 70 S C 2.218 176.853 174.600 0.058 0.000 1.035 70 S CA 1.820 60.049 58.200 0.049 0.000 1.025 70 S CB -0.376 62.840 63.200 0.026 0.000 0.902 70 S HN 0.421 nan 8.310 nan 0.000 0.440 71 S N 0.564 116.305 115.700 0.068 0.000 2.359 71 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 71 S C 1.654 176.301 174.600 0.079 0.000 1.035 71 S CA 1.436 59.673 58.200 0.062 0.000 1.018 71 S CB -0.555 62.684 63.200 0.066 0.000 0.876 71 S HN 0.611 nan 8.310 nan 0.000 0.448 72 Y N 3.379 123.691 120.300 0.020 0.000 2.128 72 Y HA -0.207 4.343 4.550 -0.000 0.000 0.284 72 Y C 2.410 178.329 175.900 0.031 0.000 1.154 72 Y CA 1.834 59.955 58.100 0.035 0.000 1.149 72 Y CB -0.595 37.894 38.460 0.048 0.000 0.976 72 Y HN 0.233 nan 8.280 nan 0.000 0.505 73 N N 0.771 119.487 118.700 0.027 0.000 2.104 73 N HA -0.199 4.541 4.740 -0.000 0.000 0.190 73 N C 1.838 177.290 175.510 -0.098 0.000 1.024 73 N CA 1.707 54.729 53.050 -0.046 0.000 0.853 73 N CB -0.465 38.044 38.487 0.038 0.000 1.008 73 N HN 0.539 nan 8.380 nan 0.000 0.424 74 A N -0.112 122.673 122.820 -0.059 0.000 1.872 74 A HA -0.051 4.269 4.320 -0.000 0.000 0.214 74 A C 2.397 179.932 177.584 -0.081 0.000 1.187 74 A CA 2.008 54.012 52.037 -0.056 0.000 0.614 74 A CB -1.139 17.845 19.000 -0.026 0.000 0.826 74 A HN 0.428 nan 8.150 nan 0.000 0.442 75 T N -0.204 114.294 114.554 -0.093 0.000 2.777 75 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 75 T C 1.898 176.510 174.700 -0.147 0.000 1.040 75 T CA 1.602 63.645 62.100 -0.095 0.000 1.141 75 T CB -0.415 68.412 68.868 -0.067 0.000 0.868 75 T HN 0.137 nan 8.240 nan 0.000 0.444 76 V N 1.637 121.388 119.914 -0.271 0.000 2.343 76 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 76 V C 2.796 178.778 176.094 -0.187 0.000 1.051 76 V CA 1.961 64.091 62.300 -0.284 0.000 1.036 76 V CB -1.247 30.279 31.823 -0.495 0.000 0.654 76 V HN 0.513 nan 8.190 nan 0.000 0.451 77 T N -0.316 114.142 114.554 -0.160 0.000 2.720 77 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 77 T C 2.013 176.653 174.700 -0.100 0.000 1.037 77 T CA 1.989 64.020 62.100 -0.114 0.000 1.144 77 T CB -0.240 68.578 68.868 -0.083 0.000 0.864 77 T HN 0.317 nan 8.240 nan 0.000 0.444 78 K N 0.985 121.334 120.400 -0.085 0.000 2.057 78 K HA 0.040 4.360 4.320 -0.000 0.000 0.206 78 K C 2.008 178.567 176.600 -0.069 0.000 1.050 78 K CA 0.834 57.082 56.287 -0.065 0.000 0.935 78 K CB -0.809 31.663 32.500 -0.047 0.000 0.715 78 K HN 0.190 nan 8.250 nan 0.000 0.439 79 L N 0.463 121.640 121.223 -0.077 0.000 2.079 79 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 79 L C 1.671 178.461 176.870 -0.135 0.000 1.081 79 L CA 1.668 56.471 54.840 -0.062 0.000 0.752 79 L CB -0.176 41.861 42.059 -0.037 0.000 0.896 79 L HN 0.241 nan 8.230 nan 0.000 0.433 80 L N -1.476 119.629 121.223 -0.196 0.000 2.567 80 L HA -0.012 4.328 4.340 -0.000 0.000 0.225 80 L C 2.259 179.022 176.870 -0.177 0.000 1.119 80 L CA 0.192 54.867 54.840 -0.275 0.000 0.871 80 L CB -0.299 41.581 42.059 -0.297 0.000 1.036 80 L HN 0.409 nan 8.230 nan 0.000 0.459 81 Q N 0.979 120.707 119.800 -0.120 0.000 2.133 81 Q HA -0.220 4.120 4.340 -0.000 0.000 0.208 81 Q C -0.562 175.390 176.000 -0.080 0.000 0.991 81 Q CA 2.112 57.864 55.803 -0.085 0.000 0.867 81 Q CB -0.495 28.205 28.738 -0.064 0.000 0.911 81 Q HN 0.342 nan 8.270 nan 0.000 0.417 82 P HA -0.165 nan 4.420 nan 0.000 0.215 82 P C 1.074 178.329 177.300 -0.075 0.000 1.157 82 P CA 1.000 64.057 63.100 -0.073 0.000 0.863 82 P CB -0.069 31.587 31.700 -0.074 0.000 0.787 83 I N -0.413 120.095 120.570 -0.103 0.000 2.163 83 I HA -0.173 3.997 4.170 -0.000 0.000 0.243 83 I C 2.400 178.469 176.117 -0.080 0.000 1.085 83 I CA 2.273 63.514 61.300 -0.098 0.000 1.347 83 I CB -2.051 35.845 38.000 -0.173 0.000 1.044 83 I HN 0.033 nan 8.210 nan 0.000 0.408 84 G N 0.332 109.078 108.800 -0.090 0.000 2.459 84 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 84 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 84 G C 1.608 176.481 174.900 -0.046 0.000 1.183 84 G CA 0.619 45.680 45.100 -0.065 0.000 0.776 84 G HN 0.419 nan 8.290 nan 0.000 0.552 85 E N -0.043 120.129 120.200 -0.046 0.000 2.110 85 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 85 E C 2.328 178.909 176.600 -0.031 0.000 0.988 85 E CA 0.711 57.090 56.400 -0.035 0.000 0.804 85 E CB -0.184 29.495 29.700 -0.035 0.000 0.745 85 E HN 0.540 nan 8.360 nan 0.000 0.458 86 N N 0.351 119.030 118.700 -0.035 0.000 2.084 86 N HA -0.173 4.567 4.740 -0.000 0.000 0.190 86 N C 1.895 177.389 175.510 -0.025 0.000 1.030 86 N CA 0.522 53.555 53.050 -0.028 0.000 0.849 86 N CB 0.072 38.542 38.487 -0.029 0.000 1.012 86 N HN 0.034 nan 8.380 nan 0.000 0.423 87 L N 2.162 123.368 121.223 -0.028 0.000 2.042 87 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 87 L C 2.352 179.208 176.870 -0.022 0.000 1.076 87 L CA 1.619 56.444 54.840 -0.025 0.000 0.749 87 L CB -0.948 41.095 42.059 -0.027 0.000 0.893 87 L HN 0.249 nan 8.230 nan 0.000 0.432 88 E N -1.458 118.729 120.200 -0.022 0.000 2.028 88 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 88 E C 1.960 178.551 176.600 -0.015 0.000 0.988 88 E CA 1.713 58.103 56.400 -0.017 0.000 0.799 88 E CB 0.016 29.706 29.700 -0.016 0.000 0.755 88 E HN 0.451 nan 8.360 nan 0.000 0.447 89 T N 1.420 115.964 114.554 -0.016 0.000 2.653 89 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 89 T C 1.874 176.567 174.700 -0.012 0.000 1.035 89 T CA 1.644 63.736 62.100 -0.013 0.000 1.154 89 T CB -0.203 68.657 68.868 -0.014 0.000 0.862 89 T HN 0.157 nan 8.240 nan 0.000 0.441 90 I N -0.356 120.204 120.570 -0.015 0.000 2.244 90 I HA -0.021 4.149 4.170 -0.000 0.000 0.231 90 I C 2.644 178.748 176.117 -0.021 0.000 1.065 90 I CA 0.819 62.109 61.300 -0.017 0.000 1.358 90 I CB -0.423 37.563 38.000 -0.022 0.000 1.130 90 I HN 0.071 nan 8.210 nan 0.000 0.411 91 R N 1.394 121.877 120.500 -0.028 0.000 2.343 91 R HA -0.220 4.120 4.340 -0.000 0.000 0.182 91 R C 1.715 178.003 176.300 -0.020 0.000 0.893 91 R CA 1.881 57.960 56.100 -0.035 0.000 1.022 91 R CB -0.710 29.569 30.300 -0.036 0.000 0.658 91 R HN 0.306 nan 8.270 nan 0.000 0.521 92 N N 0.190 118.880 118.700 -0.016 0.000 2.955 92 N HA -0.202 4.538 4.740 -0.000 0.000 0.205 92 N C 0.555 176.063 175.510 -0.003 0.000 1.697 92 N CA 0.586 53.631 53.050 -0.008 0.000 1.005 92 N CB 0.188 38.670 38.487 -0.009 0.000 1.297 92 N HN 0.374 nan 8.380 nan 0.000 0.469 93 Q N -1.600 118.199 119.800 -0.002 0.000 2.237 93 Q HA 0.156 4.496 4.340 -0.000 0.000 0.164 93 Q C 1.280 177.284 176.000 0.007 0.000 0.658 93 Q CA -0.257 55.548 55.803 0.002 0.000 0.895 93 Q CB 0.254 28.991 28.738 -0.002 0.000 1.175 93 Q HN 0.236 nan 8.270 nan 0.000 0.355 94 L N 0.538 121.764 121.223 0.006 0.000 2.470 94 L HA 0.243 4.583 4.340 -0.000 0.000 0.219 94 L C 1.679 178.563 176.870 0.023 0.000 1.071 94 L CA 0.336 55.184 54.840 0.013 0.000 0.850 94 L CB 0.363 42.427 42.059 0.009 0.000 1.040 94 L HN 0.178 nan 8.230 nan 0.000 0.475 95 I N -0.251 120.329 120.570 0.017 0.000 4.169 95 I HA 0.080 4.250 4.170 -0.000 0.000 0.230 95 I C -1.422 174.733 176.117 0.064 0.000 1.009 95 I CA -0.548 60.774 61.300 0.036 0.000 1.554 95 I CB -0.928 37.064 38.000 -0.014 0.000 1.437 95 I HN -0.073 nan 8.210 nan 0.000 0.458 96 P HA 0.105 nan 4.420 nan 0.000 0.275 96 P C -0.939 176.389 177.300 0.047 0.000 1.276 96 P CA 0.469 63.614 63.100 0.074 0.000 0.782 96 P CB 0.554 32.281 31.700 0.045 0.000 0.851 101 R N -0.851 119.667 120.500 0.031 0.000 3.317 101 R HA 0.716 5.056 4.340 -0.000 0.000 0.259 101 R C -0.861 175.468 176.300 0.049 0.000 1.143 101 R CA -0.942 55.178 56.100 0.032 0.000 0.969 101 R CB 0.458 30.776 30.300 0.029 0.000 1.465 101 R HN -0.015 nan 8.270 nan 0.000 0.430 102 R N 1.086 121.617 120.500 0.051 0.000 2.409 102 R HA 0.406 4.746 4.340 -0.000 0.000 0.313 102 R C -1.081 175.280 176.300 0.102 0.000 0.953 102 R CA -0.817 55.327 56.100 0.074 0.000 0.849 102 R CB 0.227 30.552 30.300 0.041 0.000 1.171 102 R HN 0.497 nan 8.270 nan 0.000 0.458 103 F N 2.821 122.772 119.950 0.001 0.000 2.593 103 F HA 0.301 4.828 4.527 -0.000 0.000 0.393 103 F C 1.067 176.870 175.800 0.005 0.000 1.037 103 F CA 0.754 58.757 58.000 0.005 0.000 1.195 103 F CB 0.792 39.797 39.000 0.008 0.000 1.034 103 F HN 0.680 nan 8.300 nan 0.000 0.552 104 A N 4.062 126.507 122.820 -0.626 0.000 2.431 104 A HA 0.515 4.835 4.320 -0.000 0.000 0.239 104 A C 1.433 178.606 177.584 -0.685 0.000 1.230 104 A CA 0.466 52.205 52.037 -0.498 0.000 0.928 104 A CB -0.445 18.403 19.000 -0.253 0.000 1.006 104 A HN 1.695 nan 8.150 nan 0.000 0.520 105 G N -1.129 106.838 108.800 -1.388 0.000 2.227 105 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.168 105 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.168 105 G C 0.260 174.935 174.900 -0.374 0.000 1.006 105 G CA 0.143 44.769 45.100 -0.789 0.000 0.684 105 G HN 1.648 nan 8.290 nan 0.000 0.489 106 V N -0.095 119.613 119.914 -0.343 0.000 2.350 106 V HA 0.813 4.933 4.120 -0.000 0.000 0.276 106 V C 0.484 176.667 176.094 0.148 0.000 1.028 106 V CA -1.160 61.111 62.300 -0.048 0.000 0.860 106 V CB 1.559 33.352 31.823 -0.051 0.000 0.990 106 V HN 0.487 nan 8.190 nan 0.000 0.453 107 V N 7.371 127.401 119.914 0.192 0.000 2.470 107 V HA 0.387 4.507 4.120 -0.000 0.000 0.276 107 V C 0.344 176.512 176.094 0.122 0.000 1.040 107 V CA 0.384 62.811 62.300 0.211 0.000 1.008 107 V CB 0.403 32.315 31.823 0.149 0.000 0.990 107 V HN 0.843 nan 8.190 nan 0.000 0.477 108 I N 2.660 123.302 120.570 0.120 0.000 3.002 108 I HA 0.658 4.828 4.170 -0.000 0.000 0.310 108 I C 1.091 177.240 176.117 0.053 0.000 1.087 108 I CA -0.409 60.935 61.300 0.074 0.000 1.017 108 I CB 1.983 40.027 38.000 0.072 0.000 1.226 108 I HN 0.749 nan 8.210 nan 0.000 0.443 109 G N 3.761 112.583 108.800 0.037 0.000 2.305 109 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.287 109 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.287 109 G C 0.652 175.564 174.900 0.020 0.000 1.036 109 G CA 0.304 45.419 45.100 0.025 0.000 0.887 109 G HN 0.569 nan 8.290 nan 0.000 0.505 110 L N -0.842 120.393 121.223 0.021 0.000 2.549 110 L HA -0.024 4.316 4.340 -0.000 0.000 0.230 110 L C 2.988 179.864 176.870 0.009 0.000 1.162 110 L CA 1.087 55.936 54.840 0.015 0.000 0.834 110 L CB -0.399 41.670 42.059 0.017 0.000 0.947 110 L HN 0.510 nan 8.230 nan 0.000 0.452 111 A N 0.168 122.994 122.820 0.010 0.000 2.125 111 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 111 A C 2.532 180.119 177.584 0.003 0.000 1.156 111 A CA 1.291 53.332 52.037 0.006 0.000 0.671 111 A CB -0.363 18.640 19.000 0.007 0.000 0.794 111 A HN 0.405 nan 8.150 nan 0.000 0.459 112 A N 0.033 122.855 122.820 0.004 0.000 2.024 112 A HA -0.047 4.273 4.320 -0.000 0.000 0.220 112 A C 1.892 179.474 177.584 -0.003 0.000 1.164 112 A CA 1.406 53.443 52.037 0.000 0.000 0.643 112 A CB -0.518 18.482 19.000 -0.000 0.000 0.806 112 A HN 0.533 nan 8.150 nan 0.000 0.451 113 L N -1.632 119.590 121.223 -0.002 0.000 2.554 113 L HA 0.213 4.553 4.340 -0.000 0.000 0.226 113 L C 1.847 178.715 176.870 -0.003 0.000 1.137 113 L CA 0.282 55.119 54.840 -0.004 0.000 0.863 113 L CB -1.119 40.938 42.059 -0.003 0.000 0.985 113 L HN 0.596 nan 8.230 nan 0.000 0.451 114 G N 0.582 109.381 108.800 -0.002 0.000 2.557 114 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.292 114 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.292 114 G C 0.019 174.918 174.900 -0.001 0.000 1.162 114 G CA -0.043 45.056 45.100 -0.002 0.000 0.964 114 G HN 0.016 nan 8.290 nan 0.000 0.541 115 V N 1.676 121.588 119.914 -0.002 0.000 2.370 115 V HA 0.758 4.878 4.120 -0.000 0.000 0.283 115 V C 0.667 176.760 176.094 -0.002 0.000 1.023 115 V CA 0.263 62.562 62.300 -0.002 0.000 0.857 115 V CB 0.711 32.532 31.823 -0.002 0.000 0.985 115 V HN 1.865 nan 8.190 nan 0.000 0.443 116 A N 3.406 126.226 122.820 -0.001 0.000 2.454 116 A HA 0.906 5.226 4.320 -0.000 0.000 0.302 116 A C 0.129 177.713 177.584 -0.001 0.000 1.079 116 A CA -0.424 51.613 52.037 -0.001 0.000 0.731 116 A CB 1.769 20.769 19.000 -0.000 0.000 1.299 116 A HN 0.849 nan 8.150 nan 0.000 0.413 117 T N -0.989 113.564 114.554 -0.001 0.000 2.788 117 T HA 0.527 4.877 4.350 -0.000 0.000 0.280 117 T C 1.446 176.145 174.700 -0.000 0.000 0.984 117 T CA 0.125 62.224 62.100 -0.002 0.000 0.972 117 T CB 1.013 69.878 68.868 -0.004 0.000 1.039 117 T HN 1.476 nan 8.240 nan 0.000 0.530 118 A N 0.787 123.606 122.820 -0.001 0.000 1.908 118 A HA 0.119 4.439 4.320 -0.000 0.000 0.218 118 A C 2.652 180.238 177.584 0.003 0.000 1.181 118 A CA 2.004 54.042 52.037 0.001 0.000 0.627 118 A CB -1.620 17.379 19.000 -0.001 0.000 0.818 118 A HN 1.218 nan 8.150 nan 0.000 0.445 119 A N -0.666 122.155 122.820 0.001 0.000 1.877 119 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 119 A C 2.135 179.722 177.584 0.005 0.000 1.186 119 A CA 1.739 53.778 52.037 0.003 0.000 0.620 119 A CB -0.662 18.338 19.000 0.001 0.000 0.822 119 A HN 0.665 nan 8.150 nan 0.000 0.443 120 Q N -0.542 119.260 119.800 0.003 0.000 2.084 120 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 120 Q C 2.157 178.158 176.000 0.003 0.000 0.978 120 Q CA 1.636 57.441 55.803 0.003 0.000 0.844 120 Q CB -0.408 28.331 28.738 0.001 0.000 0.898 120 Q HN 0.495 nan 8.270 nan 0.000 0.426 121 V N 0.610 120.527 119.914 0.004 0.000 2.295 121 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 121 V C 2.213 178.312 176.094 0.009 0.000 1.049 121 V CA 2.166 64.470 62.300 0.006 0.000 1.024 121 V CB -0.850 30.979 31.823 0.009 0.000 0.648 121 V HN 0.436 nan 8.190 nan 0.000 0.447 122 T N 0.563 115.123 114.554 0.011 0.000 2.652 122 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 122 T C 2.049 176.757 174.700 0.012 0.000 1.039 122 T CA 1.916 64.026 62.100 0.016 0.000 1.153 122 T CB -0.532 68.347 68.868 0.018 0.000 0.863 122 T HN 0.583 nan 8.240 nan 0.000 0.428 123 A N 1.194 124.019 122.820 0.009 0.000 1.978 123 A HA 0.103 4.423 4.320 -0.000 0.000 0.220 123 A C 2.577 180.157 177.584 -0.006 0.000 1.170 123 A CA 1.914 53.953 52.037 0.005 0.000 0.636 123 A CB -0.962 18.041 19.000 0.006 0.000 0.810 123 A HN 0.533 nan 8.150 nan 0.000 0.448 124 A N -0.680 122.135 122.820 -0.010 0.000 1.898 124 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 124 A C 2.205 179.762 177.584 -0.045 0.000 1.181 124 A CA 1.592 53.614 52.037 -0.024 0.000 0.620 124 A CB -0.788 18.201 19.000 -0.017 0.000 0.819 124 A HN 0.356 nan 8.150 nan 0.000 0.442 125 V N -0.024 119.875 119.914 -0.026 0.000 2.295 125 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 125 V C 3.058 179.120 176.094 -0.054 0.000 1.049 125 V CA 1.890 64.170 62.300 -0.033 0.000 1.024 125 V CB -1.221 30.616 31.823 0.022 0.000 0.648 125 V HN 0.598 nan 8.190 nan 0.000 0.447 126 A N -0.538 122.271 122.820 -0.018 0.000 1.978 126 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 126 A C 2.280 179.849 177.584 -0.025 0.000 1.170 126 A CA 1.828 53.862 52.037 -0.005 0.000 0.636 126 A CB -0.520 18.485 19.000 0.009 0.000 0.810 126 A HN 0.470 nan 8.150 nan 0.000 0.448 127 L N 0.408 121.604 121.223 -0.046 0.000 1.994 127 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 127 L C 2.687 179.488 176.870 -0.115 0.000 1.071 127 L CA 2.462 57.272 54.840 -0.050 0.000 0.745 127 L CB -0.463 41.567 42.059 -0.049 0.000 0.892 127 L HN 0.457 nan 8.230 nan 0.000 0.431 128 V N -3.072 116.699 119.914 -0.238 0.000 2.515 128 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 128 V C 2.346 178.118 176.094 -0.537 0.000 1.058 128 V CA 1.375 63.395 62.300 -0.466 0.000 1.064 128 V CB -0.848 30.510 31.823 -0.775 0.000 0.675 128 V HN 0.363 nan 8.190 nan 0.000 0.461 129 K N 0.998 121.186 120.400 -0.354 0.000 2.280 129 K HA 0.092 4.412 4.320 -0.000 0.000 0.202 129 K C 2.083 178.698 176.600 0.025 0.000 1.047 129 K CA 1.357 57.593 56.287 -0.086 0.000 0.942 129 K CB -0.276 32.253 32.500 0.048 0.000 0.739 129 K HN 0.628 nan 8.250 nan 0.000 0.457 130 A N 1.138 123.975 122.820 0.027 0.000 2.238 130 A HA -0.045 4.275 4.320 -0.000 0.000 0.210 130 A C 1.664 179.275 177.584 0.045 0.000 1.179 130 A CA 0.112 52.233 52.037 0.140 0.000 0.827 130 A CB -0.337 18.828 19.000 0.274 0.000 0.856 130 A HN 0.276 nan 8.150 nan 0.000 0.488 131 N N 0.823 119.508 118.700 -0.024 0.000 2.091 131 N HA -0.266 4.474 4.740 -0.000 0.000 0.193 131 N C 1.568 177.055 175.510 -0.038 0.000 1.021 131 N CA 2.049 55.076 53.050 -0.039 0.000 0.862 131 N CB -0.160 38.283 38.487 -0.072 0.000 1.018 131 N HN 0.694 nan 8.380 nan 0.000 0.429 132 E N -0.021 120.165 120.200 -0.023 0.000 2.106 132 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 132 E C 1.690 178.222 176.600 -0.114 0.000 0.984 132 E CA 0.971 57.347 56.400 -0.039 0.000 0.806 132 E CB 0.027 29.727 29.700 -0.000 0.000 0.750 132 E HN 0.563 nan 8.360 nan 0.000 0.458 133 N N 0.039 118.620 118.700 -0.198 0.000 2.171 133 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 133 N C 1.933 177.199 175.510 -0.407 0.000 1.021 133 N CA 0.711 53.511 53.050 -0.417 0.000 0.854 133 N CB -0.083 37.895 38.487 -0.848 0.000 0.994 133 N HN 0.076 nan 8.380 nan 0.000 0.426 134 A N 1.673 124.333 122.820 -0.268 0.000 1.902 134 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 134 A C 2.412 179.935 177.584 -0.102 0.000 1.181 134 A CA 1.642 53.603 52.037 -0.127 0.000 0.623 134 A CB -0.672 18.325 19.000 -0.005 0.000 0.818 134 A HN 0.338 nan 8.150 nan 0.000 0.443 135 A N -0.268 122.496 122.820 -0.093 0.000 1.969 135 A HA 0.218 4.538 4.320 -0.000 0.000 0.218 135 A C 2.457 179.988 177.584 -0.087 0.000 1.169 135 A CA 1.862 53.855 52.037 -0.073 0.000 0.635 135 A CB -0.863 18.105 19.000 -0.054 0.000 0.810 135 A HN 0.984 nan 8.150 nan 0.000 0.445 136 A N 0.085 122.838 122.820 -0.112 0.000 1.873 136 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 136 A C 2.117 179.637 177.584 -0.108 0.000 1.186 136 A CA 1.490 53.462 52.037 -0.108 0.000 0.616 136 A CB -0.551 18.371 19.000 -0.130 0.000 0.823 136 A HN 0.485 nan 8.150 nan 0.000 0.442 137 I N -0.391 120.103 120.570 -0.127 0.000 2.202 137 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 137 I C 2.169 178.235 176.117 -0.085 0.000 1.091 137 I CA 1.079 62.319 61.300 -0.099 0.000 1.368 137 I CB -0.320 37.624 38.000 -0.093 0.000 1.058 137 I HN 0.258 nan 8.210 nan 0.000 0.410 138 L N 0.786 121.958 121.223 -0.085 0.000 2.362 138 L HA -0.174 4.166 4.340 -0.000 0.000 0.219 138 L C 2.095 178.887 176.870 -0.130 0.000 1.134 138 L CA 0.822 55.602 54.840 -0.100 0.000 0.807 138 L CB -0.734 41.278 42.059 -0.078 0.000 0.927 138 L HN 0.360 nan 8.230 nan 0.000 0.447 139 N N 0.711 119.347 118.700 -0.106 0.000 2.381 139 N HA -0.148 4.592 4.740 -0.000 0.000 0.182 139 N C 1.307 176.749 175.510 -0.113 0.000 1.025 139 N CA 1.099 54.088 53.050 -0.101 0.000 0.888 139 N CB 0.042 38.482 38.487 -0.077 0.000 0.965 139 N HN 0.329 nan 8.380 nan 0.000 0.438 140 L N 0.214 121.370 121.223 -0.112 0.000 2.769 140 L HA 0.190 4.530 4.340 -0.000 0.000 0.240 140 L C 1.749 178.540 176.870 -0.132 0.000 1.163 140 L CA -0.247 54.532 54.840 -0.101 0.000 0.962 140 L CB -0.040 41.979 42.059 -0.068 0.000 1.258 140 L HN 0.204 nan 8.230 nan 0.000 0.513 141 K N -0.177 120.090 120.400 -0.222 0.000 2.089 141 K HA -0.271 4.049 4.320 -0.000 0.000 0.210 141 K C 1.642 178.069 176.600 -0.288 0.000 1.048 141 K CA 1.819 57.916 56.287 -0.317 0.000 0.926 141 K CB -0.345 31.789 32.500 -0.610 0.000 0.714 141 K HN 0.246 nan 8.250 nan 0.000 0.448 142 N N 1.214 119.730 118.700 -0.306 0.000 2.084 142 N HA -0.113 4.627 4.740 -0.000 0.000 0.190 142 N C 1.937 177.472 175.510 0.041 0.000 1.030 142 N CA 1.695 54.732 53.050 -0.022 0.000 0.849 142 N CB -0.209 38.282 38.487 0.005 0.000 1.012 142 N HN 0.398 nan 8.380 nan 0.000 0.423 143 A N 1.280 124.096 122.820 -0.007 0.000 1.902 143 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 143 A C 2.377 179.972 177.584 0.017 0.000 1.181 143 A CA 0.828 52.870 52.037 0.008 0.000 0.623 143 A CB -0.633 18.362 19.000 -0.009 0.000 0.818 143 A HN 0.334 nan 8.150 nan 0.000 0.443 144 I N -0.839 119.734 120.570 0.006 0.000 2.264 144 I HA -0.284 3.885 4.170 -0.000 0.000 0.248 144 I C 2.730 178.879 176.117 0.055 0.000 1.111 144 I CA 1.706 63.018 61.300 0.021 0.000 1.382 144 I CB -0.227 37.779 38.000 0.010 0.000 1.060 144 I HN 0.341 nan 8.210 nan 0.000 0.418 145 Q N 1.070 120.928 119.800 0.097 0.000 2.123 145 Q HA -0.123 4.217 4.340 -0.000 0.000 0.199 145 Q C 2.011 178.061 176.000 0.084 0.000 0.966 145 Q CA 1.450 57.331 55.803 0.130 0.000 0.845 145 Q CB 0.042 28.933 28.738 0.255 0.000 0.907 145 Q HN 0.233 nan 8.270 nan 0.000 0.439 146 K N -0.281 120.163 120.400 0.073 0.000 2.288 146 K HA 0.056 4.376 4.320 -0.000 0.000 0.201 146 K C 0.170 176.788 176.600 0.030 0.000 1.048 146 K CA 0.450 56.765 56.287 0.048 0.000 0.956 146 K CB -0.259 32.268 32.500 0.045 0.000 0.746 146 K HN 0.102 nan 8.250 nan 0.000 0.461 147 T N 2.919 117.489 114.554 0.027 0.000 2.752 147 T HA 0.050 4.400 4.350 -0.000 0.000 0.295 147 T C 0.198 174.906 174.700 0.013 0.000 0.923 147 T CA -0.362 61.748 62.100 0.017 0.000 1.112 147 T CB 0.387 69.263 68.868 0.014 0.000 0.884 147 T HN 0.017 nan 8.240 nan 0.000 0.525 148 N N 2.793 121.497 118.700 0.007 0.000 2.401 148 N HA 0.466 5.206 4.740 -0.000 0.000 0.255 148 N C -0.898 174.612 175.510 -0.001 0.000 1.110 148 N CA -0.163 52.888 53.050 0.001 0.000 0.949 148 N CB 0.469 38.954 38.487 -0.002 0.000 1.110 148 N HN 0.827 nan 8.380 nan 0.000 0.490 149 A N 2.196 125.015 122.820 -0.002 0.000 2.583 149 A HA 0.599 4.919 4.320 -0.000 0.000 0.298 149 A C 0.151 177.732 177.584 -0.006 0.000 1.055 149 A CA -0.114 51.921 52.037 -0.003 0.000 0.714 149 A CB 0.243 19.243 19.000 0.000 0.000 1.277 149 A HN 0.541 nan 8.150 nan 0.000 0.406 150 A N 0.870 123.685 122.820 -0.008 0.000 1.874 150 A HA 0.464 4.784 4.320 -0.000 0.000 0.214 150 A C 0.759 178.340 177.584 -0.004 0.000 1.189 150 A CA 1.931 53.961 52.037 -0.012 0.000 0.615 150 A CB -0.207 18.785 19.000 -0.013 0.000 0.830 150 A HN 1.497 nan 8.150 nan 0.000 0.443 151 V N -1.112 118.801 119.914 -0.002 0.000 2.735 151 V HA 0.739 4.859 4.120 -0.000 0.000 0.310 151 V C -0.389 175.704 176.094 -0.000 0.000 1.061 151 V CA -0.072 62.228 62.300 0.000 0.000 0.913 151 V CB 1.351 33.173 31.823 -0.002 0.000 1.005 151 V HN 0.772 nan 8.190 nan 0.000 0.428 152 A N 2.305 125.125 122.820 0.001 0.000 2.566 152 A HA 0.645 4.965 4.320 -0.000 0.000 0.297 152 A C -1.458 176.125 177.584 -0.002 0.000 1.059 152 A CA -0.581 51.456 52.037 -0.001 0.000 0.691 152 A CB 1.607 20.609 19.000 0.002 0.000 1.282 152 A HN 0.757 nan 8.150 nan 0.000 0.401 153 D N 1.529 121.926 120.400 -0.006 0.000 2.343 153 D HA 0.364 5.004 4.640 -0.000 0.000 0.255 153 D C -0.156 176.139 176.300 -0.008 0.000 1.187 153 D CA 0.415 54.410 54.000 -0.008 0.000 0.875 153 D CB 1.021 41.814 40.800 -0.011 0.000 1.136 153 D HN 0.239 nan 8.370 nan 0.000 0.469 154 V N 5.504 125.413 119.914 -0.008 0.000 2.415 154 V HA 0.170 4.290 4.120 -0.000 0.000 0.267 154 V C 0.346 176.428 176.094 -0.020 0.000 1.042 154 V CA -0.376 61.916 62.300 -0.013 0.000 1.000 154 V CB 0.526 32.340 31.823 -0.014 0.000 1.015 154 V HN 0.437 nan 8.190 nan 0.000 0.478 155 V N 3.175 123.077 119.914 -0.020 0.000 2.628 155 V HA 0.722 4.842 4.120 -0.000 0.000 0.306 155 V C -0.590 175.489 176.094 -0.025 0.000 1.045 155 V CA -0.692 61.596 62.300 -0.021 0.000 0.905 155 V CB 1.750 33.563 31.823 -0.016 0.000 0.997 155 V HN 0.813 nan 8.190 nan 0.000 0.436 156 Q N 2.558 122.342 119.800 -0.027 0.000 2.356 156 Q HA 0.688 5.028 4.340 -0.000 0.000 0.270 156 Q C 0.123 176.109 176.000 -0.022 0.000 1.058 156 Q CA -0.591 55.195 55.803 -0.028 0.000 0.802 156 Q CB 2.079 30.796 28.738 -0.035 0.000 1.303 156 Q HN 1.715 nan 8.270 nan 0.000 0.444 157 A N 2.794 125.603 122.820 -0.019 0.000 1.773 157 A HA -0.194 4.126 4.320 -0.000 0.000 0.341 157 A C 0.873 178.449 177.584 -0.014 0.000 0.848 157 A CA 1.597 53.625 52.037 -0.015 0.000 1.539 157 A CB -1.751 17.240 19.000 -0.014 0.000 0.635 157 A HN 1.529 nan 8.150 nan 0.000 0.205 158 T N -1.902 112.645 114.554 -0.012 0.000 6.500 158 T HA -0.305 4.045 4.350 -0.000 0.000 0.302 158 T C -0.089 174.604 174.700 -0.011 0.000 1.706 158 T CA 2.095 64.189 62.100 -0.010 0.000 2.745 158 T CB -2.210 66.653 68.868 -0.008 0.000 2.168 158 T HN 1.759 nan 8.240 nan 0.000 1.110 159 Q N -0.020 119.772 119.800 -0.015 0.000 2.331 159 Q HA 0.593 4.933 4.340 -0.000 0.000 0.272 159 Q C -0.939 175.049 176.000 -0.019 0.000 1.062 159 Q CA -0.514 55.280 55.803 -0.016 0.000 0.806 159 Q CB 2.353 31.080 28.738 -0.018 0.000 1.312 159 Q HN 0.384 nan 8.270 nan 0.000 0.431 160 S N 4.012 119.702 115.700 -0.016 0.000 2.465 160 S HA 0.290 4.760 4.470 -0.000 0.000 0.279 160 S C 0.862 175.449 174.600 -0.021 0.000 1.201 160 S CA -0.401 57.789 58.200 -0.017 0.000 1.053 160 S CB 0.347 63.539 63.200 -0.013 0.000 0.953 160 S HN 0.732 nan 8.310 nan 0.000 0.488 161 L N 4.662 125.867 121.223 -0.031 0.000 2.375 161 L HA 0.365 4.705 4.340 -0.000 0.000 0.215 161 L C 1.471 178.332 176.870 -0.016 0.000 1.108 161 L CA 0.494 55.302 54.840 -0.052 0.000 0.830 161 L CB -0.556 41.454 42.059 -0.081 0.000 0.959 161 L HN 0.892 nan 8.230 nan 0.000 0.457 162 G N -0.968 107.836 108.800 0.006 0.000 2.404 162 G HA2 0.128 4.088 3.960 -0.000 0.000 0.253 162 G HA3 0.128 4.088 3.960 -0.000 0.000 0.253 162 G C -1.260 173.648 174.900 0.013 0.000 1.253 162 G CA -0.534 44.589 45.100 0.038 0.000 0.917 162 G HN -0.183 nan 8.290 nan 0.000 0.480 163 T N 0.481 115.046 114.554 0.019 0.000 2.863 163 T HA 0.744 5.094 4.350 -0.000 0.000 0.285 163 T C -0.136 174.577 174.700 0.022 0.000 1.009 163 T CA 0.404 62.508 62.100 0.006 0.000 0.989 163 T CB 1.672 70.532 68.868 -0.013 0.000 1.004 163 T HN 1.556 nan 8.240 nan 0.000 0.455 164 A N 2.314 125.145 122.820 0.018 0.000 2.271 164 A HA 0.778 5.098 4.320 -0.000 0.000 0.317 164 A C -0.307 177.293 177.584 0.026 0.000 1.245 164 A CA -0.710 51.343 52.037 0.027 0.000 0.857 164 A CB 0.786 19.799 19.000 0.023 0.000 1.175 164 A HN 0.737 nan 8.150 nan 0.000 0.512 165 V N 2.610 122.546 119.914 0.037 0.000 2.815 165 V HA 0.840 4.960 4.120 -0.000 0.000 0.314 165 V C -1.089 175.026 176.094 0.036 0.000 1.064 165 V CA -0.526 61.794 62.300 0.032 0.000 0.952 165 V CB 2.014 33.859 31.823 0.037 0.000 1.020 165 V HN 1.023 nan 8.190 nan 0.000 0.439 166 Q N 4.791 124.596 119.800 0.008 0.000 2.589 166 Q HA 0.581 4.921 4.340 -0.000 0.000 0.245 166 Q C 0.109 176.059 176.000 -0.083 0.000 0.931 166 Q CA 0.260 56.049 55.803 -0.023 0.000 0.730 166 Q CB 1.063 29.790 28.738 -0.018 0.000 1.315 166 Q HN 1.080 nan 8.270 nan 0.000 0.469 167 A N 2.860 125.598 122.820 -0.137 0.000 2.131 167 A HA -0.054 4.266 4.320 -0.000 0.000 0.220 167 A C 1.161 178.601 177.584 -0.240 0.000 1.158 167 A CA 1.859 53.784 52.037 -0.186 0.000 0.665 167 A CB 0.157 19.038 19.000 -0.198 0.000 0.795 167 A HN 0.533 nan 8.150 nan 0.000 0.460 168 V N -1.575 118.158 119.914 -0.303 0.000 3.605 168 V HA -0.014 4.106 4.120 -0.000 0.000 0.284 168 V C 2.096 178.119 176.094 -0.118 0.000 1.386 168 V CA 0.990 63.155 62.300 -0.225 0.000 1.053 168 V CB 0.526 32.132 31.823 -0.363 0.000 0.857 168 V HN 0.607 nan 8.190 nan 0.000 0.436 169 Q N 0.926 120.664 119.800 -0.103 0.000 2.096 169 Q HA -0.254 4.086 4.340 -0.000 0.000 0.208 169 Q C 1.733 177.717 176.000 -0.027 0.000 0.993 169 Q CA 2.601 58.367 55.803 -0.062 0.000 0.862 169 Q CB -0.192 28.519 28.738 -0.045 0.000 0.915 169 Q HN 0.600 nan 8.270 nan 0.000 0.416 170 D N -1.261 119.134 120.400 -0.008 0.000 2.084 170 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 170 D C 1.792 178.132 176.300 0.066 0.000 0.990 170 D CA 1.466 55.475 54.000 0.015 0.000 0.826 170 D CB -0.503 40.300 40.800 0.006 0.000 0.971 170 D HN 0.393 nan 8.370 nan 0.000 0.453 171 H N 1.005 120.041 119.070 -0.055 0.000 2.352 171 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 171 H C 2.105 177.402 175.328 -0.051 0.000 1.097 171 H CA 0.877 56.895 56.048 -0.050 0.000 1.311 171 H CB -0.381 29.347 29.762 -0.056 0.000 1.377 171 H HN 0.062 nan 8.280 nan 0.000 0.504 172 I N 0.752 121.298 120.570 -0.041 0.000 2.179 172 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 172 I C 1.843 177.929 176.117 -0.051 0.000 1.088 172 I CA 1.077 62.309 61.300 -0.114 0.000 1.357 172 I CB -0.915 37.015 38.000 -0.118 0.000 1.051 172 I HN 0.305 nan 8.210 nan 0.000 0.409 173 N N 0.972 119.661 118.700 -0.019 0.000 2.205 173 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 173 N C 1.905 177.418 175.510 0.005 0.000 1.015 173 N CA 1.281 54.325 53.050 -0.009 0.000 0.862 173 N CB -0.326 38.158 38.487 -0.004 0.000 0.986 173 N HN 0.280 nan 8.380 nan 0.000 0.429 174 S N -0.219 115.500 115.700 0.032 0.000 2.423 174 S HA 0.008 4.478 4.470 -0.000 0.000 0.231 174 S C 1.953 176.573 174.600 0.035 0.000 1.014 174 S CA 0.538 58.766 58.200 0.046 0.000 0.965 174 S CB 0.209 63.466 63.200 0.096 0.000 0.785 174 S HN 0.138 nan 8.310 nan 0.000 0.495 175 V N 0.649 120.571 119.914 0.012 0.000 3.621 175 V HA 0.180 4.300 4.120 -0.000 0.000 0.263 175 V C 0.608 176.685 176.094 -0.029 0.000 1.272 175 V CA 0.110 62.402 62.300 -0.013 0.000 1.080 175 V CB 0.068 31.857 31.823 -0.056 0.000 0.816 175 V HN 0.193 nan 8.190 nan 0.000 0.451 176 V N 1.467 121.361 119.914 -0.034 0.000 2.655 176 V HA 0.176 4.296 4.120 -0.000 0.000 0.300 176 V C 0.711 176.793 176.094 -0.020 0.000 1.044 176 V CA 0.410 62.690 62.300 -0.033 0.000 1.095 176 V CB 1.323 33.125 31.823 -0.035 0.000 0.952 176 V HN 0.413 nan 8.190 nan 0.000 0.485 177 S N 5.031 120.720 115.700 -0.018 0.000 2.565 177 S HA 0.291 4.761 4.470 -0.000 0.000 0.274 177 S C -1.319 173.274 174.600 -0.011 0.000 1.309 177 S CA -1.178 57.014 58.200 -0.012 0.000 1.043 177 S CB 1.164 64.357 63.200 -0.011 0.000 0.939 177 S HN 0.626 nan 8.310 nan 0.000 0.504 178 P HA 0.048 nan 4.420 nan 0.000 0.220 178 P C -0.378 176.918 177.300 -0.007 0.000 1.144 178 P CA 1.047 64.143 63.100 -0.007 0.000 0.800 178 P CB 0.141 31.838 31.700 -0.005 0.000 0.772 179 A N -1.001 121.814 122.820 -0.008 0.000 2.520 179 A HA 0.603 4.923 4.320 -0.000 0.000 0.298 179 A C -1.168 176.411 177.584 -0.008 0.000 1.051 179 A CA -0.505 51.528 52.037 -0.007 0.000 0.690 179 A CB 0.952 19.949 19.000 -0.005 0.000 1.281 179 A HN -0.112 nan 8.150 nan 0.000 0.402 180 I N 3.169 123.734 120.570 -0.009 0.000 2.371 180 I HA 0.331 4.501 4.170 -0.000 0.000 0.282 180 I C 0.778 176.890 176.117 -0.007 0.000 1.031 180 I CA -0.207 61.088 61.300 -0.009 0.000 1.180 180 I CB 1.540 39.533 38.000 -0.011 0.000 1.336 180 I HN 0.842 nan 8.210 nan 0.000 0.467 181 T N 1.845 116.396 114.554 -0.006 0.000 2.893 181 T HA 0.516 4.866 4.350 -0.000 0.000 0.279 181 T C 1.266 175.964 174.700 -0.004 0.000 0.991 181 T CA -0.180 61.917 62.100 -0.005 0.000 0.950 181 T CB 1.714 70.580 68.868 -0.004 0.000 1.223 181 T HN 0.450 nan 8.240 nan 0.000 0.585 182 A N -0.329 122.489 122.820 -0.004 0.000 2.172 182 A HA 0.342 4.662 4.320 -0.000 0.000 0.216 182 A C 2.284 179.866 177.584 -0.003 0.000 1.154 182 A CA 1.463 53.498 52.037 -0.003 0.000 0.701 182 A CB -1.403 17.596 19.000 -0.002 0.000 0.789 182 A HN 1.097 nan 8.150 nan 0.000 0.465 183 A N 0.110 122.929 122.820 -0.003 0.000 1.862 183 A HA -0.025 4.295 4.320 -0.000 0.000 0.211 183 A C 1.909 179.491 177.584 -0.004 0.000 1.220 183 A CA 0.975 53.010 52.037 -0.003 0.000 0.616 183 A CB -0.504 18.494 19.000 -0.003 0.000 0.878 183 A HN 0.450 nan 8.150 nan 0.000 0.453 184 N N 0.235 118.932 118.700 -0.005 0.000 2.091 184 N HA -0.244 4.496 4.740 -0.000 0.000 0.193 184 N C 1.768 177.274 175.510 -0.007 0.000 1.021 184 N CA 1.484 54.530 53.050 -0.006 0.000 0.862 184 N CB -0.970 37.512 38.487 -0.008 0.000 1.018 184 N HN 0.553 nan 8.380 nan 0.000 0.429 185 c N 1.453 120.049 118.600 -0.007 0.000 2.218 185 c HA -0.308 4.262 4.570 -0.000 0.000 0.257 185 c C 2.743 176.829 174.090 -0.007 0.000 1.090 185 c CA 1.859 58.184 56.329 -0.007 0.000 1.804 185 c CB -1.237 41.270 42.510 -0.005 0.000 1.804 185 c HN 0.559 nan 8.230 nan 0.000 0.396 186 K N 0.094 120.491 120.400 -0.005 0.000 2.032 186 K HA -0.279 4.041 4.320 -0.000 0.000 0.218 186 K C 2.106 178.702 176.600 -0.006 0.000 1.054 186 K CA 2.446 58.731 56.287 -0.004 0.000 0.941 186 K CB -0.571 31.928 32.500 -0.002 0.000 0.720 186 K HN 0.607 nan 8.250 nan 0.000 0.449 187 A N 0.939 123.756 122.820 -0.006 0.000 1.883 187 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 187 A C 2.154 179.729 177.584 -0.014 0.000 1.186 187 A CA 1.665 53.697 52.037 -0.008 0.000 0.624 187 A CB -0.604 18.392 19.000 -0.007 0.000 0.822 187 A HN 0.473 nan 8.150 nan 0.000 0.444 188 Q N -0.494 119.296 119.800 -0.016 0.000 2.050 188 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 188 Q C 1.738 177.721 176.000 -0.028 0.000 0.980 188 Q CA 1.762 57.550 55.803 -0.024 0.000 0.840 188 Q CB -0.626 28.099 28.738 -0.022 0.000 0.898 188 Q HN 0.701 nan 8.270 nan 0.000 0.424 189 D N 0.074 120.463 120.400 -0.020 0.000 2.265 189 D HA -0.093 4.547 4.640 -0.000 0.000 0.208 189 D C 1.491 177.781 176.300 -0.017 0.000 0.977 189 D CA 1.058 55.048 54.000 -0.017 0.000 0.871 189 D CB 0.151 40.946 40.800 -0.008 0.000 0.925 189 D HN 0.238 nan 8.370 nan 0.000 0.485 190 A N 0.324 123.133 122.820 -0.017 0.000 1.861 190 A HA -0.021 4.299 4.320 -0.000 0.000 0.212 190 A C 2.147 179.715 177.584 -0.027 0.000 1.199 190 A CA 0.910 52.938 52.037 -0.015 0.000 0.613 190 A CB -0.365 18.630 19.000 -0.008 0.000 0.846 190 A HN 0.264 nan 8.150 nan 0.000 0.446 191 I N 0.186 120.732 120.570 -0.039 0.000 2.252 191 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 191 I C 2.323 178.376 176.117 -0.108 0.000 1.102 191 I CA 1.211 62.472 61.300 -0.065 0.000 1.385 191 I CB -1.539 36.420 38.000 -0.068 0.000 1.064 191 I HN 0.251 nan 8.210 nan 0.000 0.414 192 I N 1.759 122.270 120.570 -0.098 0.000 2.252 192 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 192 I C 2.850 178.908 176.117 -0.099 0.000 1.102 192 I CA 1.460 62.687 61.300 -0.121 0.000 1.385 192 I CB -0.913 37.031 38.000 -0.093 0.000 1.064 192 I HN 0.234 nan 8.210 nan 0.000 0.414 193 G N 1.024 109.790 108.800 -0.055 0.000 2.491 193 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.218 193 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.218 193 G C 1.815 176.706 174.900 -0.015 0.000 1.180 193 G CA 1.329 46.416 45.100 -0.023 0.000 0.774 193 G HN 0.513 nan 8.290 nan 0.000 0.562 194 S N 0.466 116.153 115.700 -0.021 0.000 2.383 194 S HA 0.023 4.493 4.470 -0.000 0.000 0.227 194 S C 2.338 176.934 174.600 -0.007 0.000 1.026 194 S CA 1.017 59.217 58.200 -0.001 0.000 0.981 194 S CB -0.316 62.887 63.200 0.006 0.000 0.818 194 S HN 0.356 nan 8.310 nan 0.000 0.472 195 I N 1.419 121.944 120.570 -0.075 0.000 2.179 195 I HA -0.138 4.032 4.170 -0.000 0.000 0.242 195 I C 2.472 178.554 176.117 -0.058 0.000 1.088 195 I CA 1.228 62.464 61.300 -0.106 0.000 1.357 195 I CB -0.372 37.446 38.000 -0.303 0.000 1.051 195 I HN 0.273 nan 8.210 nan 0.000 0.409 196 L N 0.289 121.445 121.223 -0.112 0.000 2.027 196 L HA -0.199 4.141 4.340 -0.000 0.000 0.206 196 L C 2.269 179.202 176.870 0.105 0.000 1.074 196 L CA 1.223 55.963 54.840 -0.166 0.000 0.745 196 L CB -0.736 41.132 42.059 -0.320 0.000 0.898 196 L HN 0.307 nan 8.230 nan 0.000 0.433 197 N N 0.122 118.888 118.700 0.111 0.000 2.244 197 N HA -0.153 4.587 4.740 -0.000 0.000 0.183 197 N C 1.895 177.490 175.510 0.141 0.000 1.016 197 N CA 0.994 54.134 53.050 0.150 0.000 0.866 197 N CB -0.189 38.356 38.487 0.097 0.000 0.980 197 N HN 0.290 nan 8.380 nan 0.000 0.430 198 L N -0.374 120.924 121.223 0.125 0.000 2.027 198 L HA -0.205 4.135 4.340 -0.000 0.000 0.206 198 L C 2.277 179.256 176.870 0.181 0.000 1.074 198 L CA 1.281 56.196 54.840 0.126 0.000 0.745 198 L CB -0.320 41.809 42.059 0.116 0.000 0.898 198 L HN 0.106 nan 8.230 nan 0.000 0.433 199 Y N 0.207 120.555 120.300 0.081 0.000 2.128 199 Y HA -0.320 4.230 4.550 -0.000 0.000 0.284 199 Y C 2.278 178.280 175.900 0.169 0.000 1.154 199 Y CA 1.877 60.044 58.100 0.111 0.000 1.149 199 Y CB -0.468 38.052 38.460 0.101 0.000 0.976 199 Y HN 0.198 nan 8.280 nan 0.000 0.505 200 L N -0.138 121.230 121.223 0.240 0.000 1.990 200 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 200 L C 2.223 179.102 176.870 0.015 0.000 1.072 200 L CA 2.831 57.750 54.840 0.131 0.000 0.755 200 L CB -1.490 40.708 42.059 0.231 0.000 0.889 200 L HN 0.274 nan 8.230 nan 0.000 0.432 201 T N -0.319 114.264 114.554 0.048 0.000 2.665 201 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 201 T C 1.731 176.420 174.700 -0.018 0.000 1.035 201 T CA 1.997 64.109 62.100 0.020 0.000 1.151 201 T CB -0.315 68.575 68.868 0.036 0.000 0.862 201 T HN 0.516 nan 8.240 nan 0.000 0.438 202 E N 0.125 120.307 120.200 -0.031 0.000 2.150 202 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 202 E C 2.075 178.589 176.600 -0.142 0.000 0.985 202 E CA 0.537 56.897 56.400 -0.066 0.000 0.814 202 E CB -0.119 29.563 29.700 -0.029 0.000 0.752 202 E HN 0.207 nan 8.360 nan 0.000 0.466 203 L N 0.681 121.783 121.223 -0.201 0.000 2.083 203 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 203 L C 2.348 179.161 176.870 -0.095 0.000 1.083 203 L CA 1.743 56.462 54.840 -0.201 0.000 0.752 203 L CB -1.066 40.897 42.059 -0.160 0.000 0.899 203 L HN 0.089 nan 8.230 nan 0.000 0.433 204 T N -1.346 113.185 114.554 -0.038 0.000 2.803 204 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 204 T C 1.765 176.453 174.700 -0.020 0.000 1.052 204 T CA 1.767 63.871 62.100 0.007 0.000 1.136 204 T CB -0.161 68.709 68.868 0.003 0.000 0.864 204 T HN 0.334 nan 8.240 nan 0.000 0.467 205 T N 0.912 115.425 114.554 -0.069 0.000 2.962 205 T HA 0.170 4.520 4.350 -0.000 0.000 0.270 205 T C 1.667 176.296 174.700 -0.118 0.000 1.088 205 T CA 0.640 62.691 62.100 -0.081 0.000 1.127 205 T CB -0.081 68.738 68.868 -0.082 0.000 0.883 205 T HN 0.368 nan 8.240 nan 0.000 0.493 206 I N -1.340 119.098 120.570 -0.221 0.000 3.883 206 I HA 0.226 4.396 4.170 -0.000 0.000 0.305 206 I C -0.144 175.766 176.117 -0.346 0.000 1.247 206 I CA 0.270 61.348 61.300 -0.370 0.000 1.350 206 I CB 0.617 38.214 38.000 -0.672 0.000 1.194 206 I HN 0.100 nan 8.210 nan 0.000 0.441 207 F N 1.059 121.015 119.950 0.009 0.000 2.441 207 F HA 0.209 4.736 4.527 -0.000 0.000 0.337 207 F C 0.203 176.036 175.800 0.054 0.000 1.182 207 F CA -0.678 57.329 58.000 0.012 0.000 1.279 207 F CB -0.123 38.865 39.000 -0.019 0.000 1.614 207 F HN 0.041 nan 8.300 nan 0.000 0.574 208 H N 1.455 120.596 119.070 0.120 0.000 2.488 208 H HA 0.236 4.792 4.556 -0.000 0.000 0.322 208 H C -0.269 175.096 175.328 0.062 0.000 1.078 208 H CA -1.160 54.929 56.048 0.068 0.000 1.260 208 H CB 0.848 30.627 29.762 0.028 0.000 1.425 208 H HN 0.266 nan 8.280 nan 0.000 0.471 209 N N 4.080 122.451 118.700 -0.550 0.000 2.466 209 N HA 0.019 4.759 4.740 -0.000 0.000 0.263 209 N C 0.367 175.525 175.510 -0.587 0.000 1.178 209 N CA 0.428 53.224 53.050 -0.423 0.000 0.983 209 N CB 0.337 38.687 38.487 -0.229 0.000 1.331 209 N HN 0.833 nan 8.380 nan 0.000 0.500 210 Q N 3.088 122.671 119.800 -0.361 0.000 2.459 210 Q HA 0.274 4.614 4.340 -0.000 0.000 0.260 210 Q C 0.092 176.049 176.000 -0.072 0.000 0.828 210 Q CA -0.036 55.658 55.803 -0.182 0.000 0.987 210 Q CB 0.352 29.070 28.738 -0.033 0.000 1.216 210 Q HN 0.605 nan 8.270 nan 0.000 0.558 211 I N 0.526 121.063 120.570 -0.056 0.000 3.211 211 I HA 0.100 4.270 4.170 -0.000 0.000 0.297 211 I C 1.182 177.280 176.117 -0.033 0.000 1.095 211 I CA -0.052 61.231 61.300 -0.028 0.000 1.239 211 I CB 0.900 38.892 38.000 -0.013 0.000 1.455 211 I HN -0.001 nan 8.210 nan 0.000 0.630 212 T N -1.030 113.511 114.554 -0.021 0.000 3.009 212 T HA 0.081 4.431 4.350 -0.000 0.000 0.258 212 T C 0.723 175.411 174.700 -0.019 0.000 1.063 212 T CA 0.570 62.657 62.100 -0.020 0.000 1.139 212 T CB -0.161 68.698 68.868 -0.014 0.000 0.890 212 T HN 0.479 nan 8.240 nan 0.000 0.471 213 N N 1.917 120.608 118.700 -0.014 0.000 2.813 213 N HA 0.209 4.949 4.740 -0.000 0.000 0.282 213 N C -2.180 173.326 175.510 -0.007 0.000 1.748 213 N CA -1.313 51.730 53.050 -0.012 0.000 0.860 213 N CB 1.761 40.243 38.487 -0.008 0.000 1.204 213 N HN 0.245 nan 8.380 nan 0.000 0.490 214 P HA -0.129 nan 4.420 nan 0.000 0.219 214 P C 1.145 178.455 177.300 0.016 0.000 1.146 214 P CA 0.862 63.965 63.100 0.005 0.000 0.808 214 P CB 0.445 32.142 31.700 -0.005 0.000 0.779 215 A N -0.219 122.602 122.820 0.000 0.000 2.125 215 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 215 A C 2.137 179.728 177.584 0.011 0.000 1.156 215 A CA 0.972 53.010 52.037 0.002 0.000 0.671 215 A CB -1.263 17.730 19.000 -0.013 0.000 0.794 215 A HN 0.215 nan 8.150 nan 0.000 0.459 216 L N -0.442 120.787 121.223 0.010 0.000 2.640 216 L HA 0.143 4.483 4.340 -0.000 0.000 0.230 216 L C 0.251 177.132 176.870 0.018 0.000 1.123 216 L CA -0.313 54.533 54.840 0.011 0.000 0.900 216 L CB 0.174 42.235 42.059 0.003 0.000 1.146 216 L HN 0.098 nan 8.230 nan 0.000 0.484 217 S N 0.921 116.638 115.700 0.028 0.000 2.565 217 S HA 0.298 4.768 4.470 -0.000 0.000 0.276 217 S C -2.078 172.544 174.600 0.036 0.000 1.326 217 S CA -0.861 57.358 58.200 0.031 0.000 1.045 217 S CB 0.842 64.066 63.200 0.040 0.000 0.918 217 S HN -0.012 nan 8.310 nan 0.000 0.505 218 P HA 0.225 nan 4.420 nan 0.000 0.271 218 P C -0.831 176.486 177.300 0.029 0.000 1.218 218 P CA -0.383 62.733 63.100 0.026 0.000 0.780 218 P CB 0.322 32.034 31.700 0.020 0.000 0.901 219 I N 2.331 122.919 120.570 0.030 0.000 2.304 219 I HA 0.167 4.337 4.170 -0.000 0.000 0.291 219 I C 0.661 176.787 176.117 0.014 0.000 1.018 219 I CA -0.019 61.297 61.300 0.026 0.000 1.260 219 I CB 0.357 38.383 38.000 0.043 0.000 1.390 219 I HN 0.252 nan 8.210 nan 0.000 0.475 220 T N 6.390 120.945 114.554 0.001 0.000 2.882 220 T HA 0.389 4.739 4.350 -0.000 0.000 0.287 220 T C 2.036 176.736 174.700 -0.001 0.000 1.014 220 T CA -0.515 61.584 62.100 -0.001 0.000 1.049 220 T CB 1.575 70.438 68.868 -0.009 0.000 1.001 220 T HN 0.352 nan 8.240 nan 0.000 0.525 221 I N 0.718 121.290 120.570 0.003 0.000 2.423 221 I HA -0.245 3.925 4.170 -0.000 0.000 0.254 221 I C 2.375 178.493 176.117 0.001 0.000 1.151 221 I CA 1.368 62.672 61.300 0.006 0.000 1.421 221 I CB -0.426 37.577 38.000 0.005 0.000 1.079 221 I HN 0.621 nan 8.210 nan 0.000 0.431 222 Q N 0.840 120.634 119.800 -0.009 0.000 2.123 222 Q HA -0.033 4.307 4.340 -0.000 0.000 0.199 222 Q C 2.454 178.435 176.000 -0.031 0.000 0.966 222 Q CA 1.699 57.491 55.803 -0.017 0.000 0.845 222 Q CB -0.362 28.362 28.738 -0.023 0.000 0.907 222 Q HN 0.544 nan 8.270 nan 0.000 0.439 223 A N 0.029 122.823 122.820 -0.044 0.000 1.897 223 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 223 A C 1.880 179.439 177.584 -0.041 0.000 1.181 223 A CA 0.917 52.905 52.037 -0.082 0.000 0.620 223 A CB -0.527 18.414 19.000 -0.098 0.000 0.821 223 A HN 0.305 nan 8.150 nan 0.000 0.443 224 L N -0.002 121.219 121.223 -0.003 0.000 2.079 224 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 224 L C 2.567 179.461 176.870 0.039 0.000 1.081 224 L CA 1.725 56.583 54.840 0.029 0.000 0.752 224 L CB -0.740 41.341 42.059 0.037 0.000 0.896 224 L HN 0.360 nan 8.230 nan 0.000 0.433 225 R N -0.936 119.580 120.500 0.026 0.000 2.073 225 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 225 R C 2.301 178.633 176.300 0.053 0.000 1.134 225 R CA 1.653 57.773 56.100 0.035 0.000 0.952 225 R CB -0.481 29.831 30.300 0.020 0.000 0.850 225 R HN 0.298 nan 8.270 nan 0.000 0.433 226 I N 0.414 121.001 120.570 0.028 0.000 2.179 226 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 226 I C 2.162 178.351 176.117 0.121 0.000 1.088 226 I CA 0.962 62.285 61.300 0.039 0.000 1.357 226 I CB -0.171 37.795 38.000 -0.057 0.000 1.051 226 I HN 0.119 nan 8.210 nan 0.000 0.409 227 L N 0.159 121.433 121.223 0.086 0.000 2.017 227 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 227 L C 2.054 179.075 176.870 0.251 0.000 1.073 227 L CA 1.909 56.857 54.840 0.181 0.000 0.745 227 L CB -0.581 41.554 42.059 0.127 0.000 0.894 227 L HN 0.181 nan 8.230 nan 0.000 0.432 228 L N -1.661 119.655 121.223 0.153 0.000 2.591 228 L HA 0.227 4.567 4.340 -0.000 0.000 0.228 228 L C 1.589 178.511 176.870 0.088 0.000 1.133 228 L CA 0.338 55.246 54.840 0.114 0.000 0.880 228 L CB -1.137 40.969 42.059 0.078 0.000 1.033 228 L HN 0.445 nan 8.230 nan 0.000 0.450 229 G N 1.722 110.591 108.800 0.114 0.000 2.632 229 G HA2 -0.460 3.500 3.960 -0.000 0.000 0.322 229 G HA3 -0.460 3.500 3.960 -0.000 0.000 0.322 229 G C 1.018 175.942 174.900 0.040 0.000 1.326 229 G CA 0.966 46.113 45.100 0.078 0.000 0.986 229 G HN 0.463 nan 8.290 nan 0.000 0.541 230 S N -1.293 114.417 115.700 0.017 0.000 2.547 230 S HA 0.034 4.504 4.470 -0.000 0.000 0.235 230 S C 1.943 176.548 174.600 0.008 0.000 0.980 230 S CA 2.121 60.325 58.200 0.007 0.000 0.941 230 S CB -0.223 62.973 63.200 -0.008 0.000 0.763 230 S HN 0.849 nan 8.310 nan 0.000 0.532 231 T N 2.155 116.717 114.554 0.013 0.000 3.043 231 T HA 0.176 4.526 4.350 -0.000 0.000 0.263 231 T C 1.488 176.201 174.700 0.022 0.000 1.094 231 T CA 0.554 62.662 62.100 0.014 0.000 1.127 231 T CB -0.398 68.480 68.868 0.015 0.000 0.905 231 T HN 0.288 nan 8.240 nan 0.000 0.490 232 L N 2.377 123.619 121.223 0.031 0.000 2.010 232 L HA -0.111 4.229 4.340 -0.000 0.000 0.219 232 L C -0.942 175.949 176.870 0.034 0.000 1.077 232 L CA 2.377 57.240 54.840 0.037 0.000 0.773 232 L CB -1.409 40.673 42.059 0.039 0.000 0.892 232 L HN 0.132 nan 8.230 nan 0.000 0.436 233 P HA -0.140 nan 4.420 nan 0.000 0.214 233 P C 1.695 179.009 177.300 0.024 0.000 1.163 233 P CA 2.252 65.367 63.100 0.025 0.000 0.889 233 P CB -0.220 31.489 31.700 0.016 0.000 0.790 234 T N -0.679 113.884 114.554 0.015 0.000 2.720 234 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 234 T C 1.834 176.537 174.700 0.004 0.000 1.037 234 T CA 1.350 63.455 62.100 0.008 0.000 1.144 234 T CB -1.066 67.804 68.868 0.003 0.000 0.864 234 T HN -0.115 nan 8.240 nan 0.000 0.444 235 V N 0.901 120.819 119.914 0.007 0.000 2.427 235 V HA -0.116 4.004 4.120 -0.000 0.000 0.248 235 V C 2.628 178.716 176.094 -0.011 0.000 1.051 235 V CA 1.077 63.371 62.300 -0.009 0.000 1.048 235 V CB -0.560 31.264 31.823 0.002 0.000 0.666 235 V HN 0.302 nan 8.190 nan 0.000 0.456 236 V N -0.159 119.781 119.914 0.043 0.000 2.332 236 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 236 V C 2.512 178.677 176.094 0.120 0.000 1.055 236 V CA 2.106 64.477 62.300 0.118 0.000 1.038 236 V CB -0.492 31.400 31.823 0.115 0.000 0.651 236 V HN 0.616 nan 8.190 nan 0.000 0.450 237 E N -0.424 119.812 120.200 0.060 0.000 2.046 237 E HA -0.181 4.169 4.350 -0.000 0.000 0.190 237 E C 2.319 178.925 176.600 0.010 0.000 0.982 237 E CA 0.687 57.117 56.400 0.050 0.000 0.800 237 E CB -0.254 29.464 29.700 0.030 0.000 0.756 237 E HN 0.328 nan 8.360 nan 0.000 0.449 238 K N 1.224 121.610 120.400 -0.023 0.000 2.211 238 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 238 K C 1.912 178.441 176.600 -0.117 0.000 1.047 238 K CA 1.503 57.760 56.287 -0.051 0.000 0.935 238 K CB 0.009 32.483 32.500 -0.044 0.000 0.728 238 K HN 0.091 nan 8.250 nan 0.000 0.452 239 S N -1.214 114.349 115.700 -0.228 0.000 2.503 239 S HA 0.185 4.655 4.470 -0.000 0.000 0.215 239 S C 0.509 174.690 174.600 -0.699 0.000 1.003 239 S CA -0.499 57.410 58.200 -0.484 0.000 0.910 239 S CB 0.031 62.822 63.200 -0.681 0.000 0.790 239 S HN 0.081 nan 8.310 nan 0.000 0.514 240 F N 3.017 122.964 119.950 -0.005 0.000 2.520 240 F HA 0.471 4.998 4.527 -0.000 0.000 0.322 240 F C 0.845 176.639 175.800 -0.010 0.000 1.103 240 F CA -1.183 56.810 58.000 -0.012 0.000 0.926 240 F CB 1.522 40.509 39.000 -0.022 0.000 1.154 240 F HN 0.009 nan 8.300 nan 0.000 0.453 241 N N -0.261 118.548 118.700 0.181 0.000 2.203 241 N HA -0.003 4.737 4.740 -0.000 0.000 0.207 241 N C 0.280 175.835 175.510 0.075 0.000 1.130 241 N CA -0.001 53.105 53.050 0.094 0.000 0.861 241 N CB -0.355 38.168 38.487 0.061 0.000 1.005 241 N HN 0.657 nan 8.380 nan 0.000 0.507 242 T N -1.385 113.220 114.554 0.086 0.000 2.734 242 T HA 0.014 4.364 4.350 -0.000 0.000 0.314 242 T C 1.090 175.798 174.700 0.014 0.000 1.057 242 T CA -0.014 62.102 62.100 0.026 0.000 1.047 242 T CB 0.896 69.751 68.868 -0.022 0.000 0.991 242 T HN 0.122 nan 8.240 nan 0.000 0.540 243 Q N -0.067 119.730 119.800 -0.006 0.000 2.378 243 Q HA 0.184 4.524 4.340 -0.000 0.000 0.205 243 Q C 0.406 176.397 176.000 -0.015 0.000 0.954 243 Q CA 0.313 56.111 55.803 -0.008 0.000 0.901 243 Q CB -0.285 28.445 28.738 -0.014 0.000 0.981 243 Q HN 0.664 nan 8.270 nan 0.000 0.483 244 I N 2.370 122.922 120.570 -0.029 0.000 2.683 244 I HA -0.076 4.094 4.170 -0.000 0.000 0.286 244 I C 0.796 176.902 176.117 -0.019 0.000 1.175 244 I CA -0.244 61.032 61.300 -0.039 0.000 1.429 244 I CB 0.458 38.413 38.000 -0.075 0.000 1.371 244 I HN 0.104 nan 8.210 nan 0.000 0.569 245 S N 4.990 120.680 115.700 -0.016 0.000 2.593 245 S HA 0.322 4.792 4.470 -0.000 0.000 0.269 245 S C 1.097 175.699 174.600 0.002 0.000 1.334 245 S CA -0.275 57.923 58.200 -0.003 0.000 1.015 245 S CB 1.643 64.840 63.200 -0.005 0.000 0.912 245 S HN 0.732 nan 8.310 nan 0.000 0.541 246 A N 1.479 124.308 122.820 0.015 0.000 2.121 246 A HA 0.277 4.597 4.320 -0.000 0.000 0.218 246 A C 2.214 179.805 177.584 0.012 0.000 1.154 246 A CA 1.229 53.281 52.037 0.025 0.000 0.679 246 A CB -1.357 17.662 19.000 0.032 0.000 0.795 246 A HN 1.264 nan 8.150 nan 0.000 0.458 247 A N 0.059 122.881 122.820 0.004 0.000 1.929 247 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 247 A C 1.907 179.486 177.584 -0.007 0.000 1.176 247 A CA 1.391 53.428 52.037 -0.001 0.000 0.628 247 A CB -0.320 18.678 19.000 -0.003 0.000 0.816 247 A HN 0.613 nan 8.150 nan 0.000 0.444 248 E N 0.088 120.279 120.200 -0.014 0.000 2.046 248 E HA -0.078 4.272 4.350 -0.000 0.000 0.190 248 E C 1.943 178.524 176.600 -0.032 0.000 0.982 248 E CA 0.990 57.375 56.400 -0.025 0.000 0.800 248 E CB -0.326 29.353 29.700 -0.035 0.000 0.756 248 E HN 0.584 nan 8.360 nan 0.000 0.449 249 L N 0.885 122.087 121.223 -0.035 0.000 2.079 249 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 249 L C 2.482 179.342 176.870 -0.018 0.000 1.081 249 L CA 1.030 55.843 54.840 -0.044 0.000 0.752 249 L CB -0.464 41.576 42.059 -0.032 0.000 0.896 249 L HN 0.165 nan 8.230 nan 0.000 0.433 250 L N -0.692 120.530 121.223 -0.001 0.000 2.095 250 L HA -0.114 4.226 4.340 -0.000 0.000 0.204 250 L C 2.777 179.647 176.870 -0.001 0.000 1.080 250 L CA 1.403 56.247 54.840 0.006 0.000 0.759 250 L CB -0.465 41.601 42.059 0.012 0.000 0.914 250 L HN 0.352 nan 8.230 nan 0.000 0.439 251 S N -1.300 114.396 115.700 -0.006 0.000 2.470 251 S HA 0.000 4.470 4.470 -0.000 0.000 0.225 251 S C 1.225 175.819 174.600 -0.009 0.000 1.006 251 S CA 0.157 58.353 58.200 -0.007 0.000 0.934 251 S CB -0.269 62.926 63.200 -0.007 0.000 0.778 251 S HN 0.458 nan 8.310 nan 0.000 0.517 252 S N 0.509 116.200 115.700 -0.015 0.000 2.623 252 S HA 0.711 5.181 4.470 -0.000 0.000 0.278 252 S C 0.878 175.470 174.600 -0.014 0.000 1.148 252 S CA -0.186 58.005 58.200 -0.016 0.000 1.028 252 S CB 0.670 63.855 63.200 -0.026 0.000 1.145 252 S HN 0.427 nan 8.310 nan 0.000 0.523 253 G N -0.734 108.060 108.800 -0.009 0.000 3.863 253 G HA2 0.396 4.356 3.960 -0.000 0.000 0.290 253 G HA3 0.396 4.356 3.960 -0.000 0.000 0.290 253 G C 0.474 175.369 174.900 -0.009 0.000 1.018 253 G CA -0.305 44.794 45.100 -0.003 0.000 0.824 253 G HN 0.410 nan 8.290 nan 0.000 0.507 254 L N 0.546 121.743 121.223 -0.044 0.000 2.056 254 L HA 0.171 4.511 4.340 -0.000 0.000 0.207 254 L C 1.660 178.466 176.870 -0.107 0.000 1.078 254 L CA 0.920 55.704 54.840 -0.093 0.000 0.749 254 L CB -0.611 41.351 42.059 -0.161 0.000 0.901 254 L HN 0.194 nan 8.230 nan 0.000 0.433 255 L N -0.143 121.025 121.223 -0.091 0.000 2.455 255 L HA 0.183 4.523 4.340 -0.000 0.000 0.272 255 L C 0.277 177.135 176.870 -0.020 0.000 1.174 255 L CA 0.372 55.171 54.840 -0.068 0.000 0.869 255 L CB 0.295 42.342 42.059 -0.020 0.000 1.130 255 L HN 0.107 nan 8.230 nan 0.000 0.474 256 T N 2.335 116.882 114.554 -0.010 0.000 3.041 256 T HA 0.668 5.018 4.350 -0.000 0.000 0.321 256 T C -0.461 174.247 174.700 0.014 0.000 1.184 256 T CA -0.275 61.831 62.100 0.009 0.000 1.050 256 T CB 1.591 70.469 68.868 0.016 0.000 1.159 256 T HN 0.785 nan 8.240 nan 0.000 0.469 257 G N 1.934 110.745 108.800 0.018 0.000 2.733 257 G HA2 0.757 4.717 3.960 -0.000 0.000 0.288 257 G HA3 0.757 4.717 3.960 -0.000 0.000 0.288 257 G C -1.603 173.304 174.900 0.012 0.000 1.373 257 G CA -0.829 44.277 45.100 0.009 0.000 0.895 257 G HN 0.886 nan 8.290 nan 0.000 0.479 258 Q N -0.803 118.997 119.800 -0.000 0.000 2.340 258 Q HA 0.578 4.918 4.340 -0.000 0.000 0.276 258 Q C -1.269 174.745 176.000 0.024 0.000 1.048 258 Q CA -0.892 54.921 55.803 0.016 0.000 0.832 258 Q CB 1.978 30.720 28.738 0.008 0.000 1.373 258 Q HN 0.475 nan 8.270 nan 0.000 0.409 259 I N 3.195 123.793 120.570 0.047 0.000 2.587 259 I HA -0.002 4.168 4.170 -0.000 0.000 0.284 259 I C 0.893 177.037 176.117 0.044 0.000 1.134 259 I CA -0.057 61.275 61.300 0.053 0.000 1.410 259 I CB 0.943 38.974 38.000 0.052 0.000 1.392 259 I HN 0.734 nan 8.210 nan 0.000 0.545 260 V N 2.577 122.531 119.914 0.068 0.000 3.556 260 V HA 0.609 4.729 4.120 -0.000 0.000 0.287 260 V C 0.523 176.658 176.094 0.068 0.000 1.422 260 V CA 0.278 62.628 62.300 0.082 0.000 1.038 260 V CB 0.183 32.108 31.823 0.170 0.000 0.850 260 V HN 0.814 nan 8.190 nan 0.000 0.437 261 G N 0.325 109.159 108.800 0.056 0.000 2.702 261 G HA2 0.615 4.575 3.960 -0.000 0.000 0.296 261 G HA3 0.615 4.575 3.960 -0.000 0.000 0.296 261 G C -2.328 172.584 174.900 0.021 0.000 1.463 261 G CA -0.392 44.726 45.100 0.031 0.000 0.890 261 G HN 0.472 nan 8.290 nan 0.000 0.534 262 L N 0.804 122.029 121.223 0.003 0.000 2.466 262 L HA 0.852 5.192 4.340 -0.000 0.000 0.258 262 L C -1.846 175.026 176.870 0.004 0.000 0.973 262 L CA -0.673 54.165 54.840 -0.002 0.000 0.826 262 L CB 2.615 44.656 42.059 -0.030 0.000 1.372 262 L HN 0.544 nan 8.230 nan 0.000 0.409 263 D N 3.984 124.397 120.400 0.022 0.000 2.476 263 D HA 0.267 4.907 4.640 -0.000 0.000 0.251 263 D C 0.498 176.838 176.300 0.066 0.000 1.291 263 D CA -0.256 53.775 54.000 0.051 0.000 0.939 263 D CB 1.461 42.304 40.800 0.072 0.000 1.221 263 D HN 0.684 nan 8.370 nan 0.000 0.567 264 L N 2.075 123.319 121.223 0.036 0.000 2.291 264 L HA -0.065 4.275 4.340 -0.000 0.000 0.214 264 L C 2.147 179.031 176.870 0.023 0.000 1.120 264 L CA 0.877 55.724 54.840 0.011 0.000 0.799 264 L CB -0.070 41.978 42.059 -0.018 0.000 0.925 264 L HN 0.360 nan 8.230 nan 0.000 0.446 265 T N -1.675 112.917 114.554 0.063 0.000 2.851 265 T HA -0.117 4.233 4.350 -0.000 0.000 0.262 265 T C 1.368 176.031 174.700 -0.061 0.000 1.043 265 T CA 1.167 63.271 62.100 0.006 0.000 1.140 265 T CB -0.170 68.719 68.868 0.036 0.000 0.872 265 T HN 0.208 nan 8.240 nan 0.000 0.446 266 Y N 0.635 120.939 120.300 0.007 0.000 2.466 266 Y HA 0.404 4.954 4.550 -0.000 0.000 0.272 266 Y C 0.920 176.838 175.900 0.029 0.000 1.169 266 Y CA -0.425 57.687 58.100 0.019 0.000 1.285 266 Y CB -0.578 37.891 38.460 0.016 0.000 1.078 266 Y HN 0.066 nan 8.280 nan 0.000 0.523 267 M N 0.844 120.525 119.600 0.134 0.000 2.249 267 M HA -0.332 4.148 4.480 -0.000 0.000 0.198 267 M C -0.864 175.506 176.300 0.117 0.000 0.394 267 M CA 0.929 56.284 55.300 0.091 0.000 0.427 267 M CB -1.651 30.999 32.600 0.084 0.000 1.307 267 M HN 0.299 nan 8.290 nan 0.000 0.924 268 Q N 0.613 120.482 119.800 0.114 0.000 2.331 268 Q HA 0.758 5.098 4.340 -0.000 0.000 0.267 268 Q C -0.607 175.432 176.000 0.065 0.000 1.006 268 Q CA -0.412 55.449 55.803 0.098 0.000 0.818 268 Q CB 2.615 31.409 28.738 0.093 0.000 1.276 268 Q HN 0.490 nan 8.270 nan 0.000 0.450 269 M N 3.046 122.690 119.600 0.073 0.000 2.227 269 M HA 0.417 4.897 4.480 -0.000 0.000 0.335 269 M C -1.503 174.845 176.300 0.080 0.000 1.053 269 M CA -0.809 54.528 55.300 0.061 0.000 0.973 269 M CB 1.205 33.843 32.600 0.064 0.000 1.623 269 M HN 0.339 nan 8.290 nan 0.000 0.434 270 V N 7.086 127.046 119.914 0.077 0.000 2.348 270 V HA 0.381 4.501 4.120 -0.000 0.000 0.270 270 V C -0.035 176.135 176.094 0.127 0.000 1.037 270 V CA -0.307 62.061 62.300 0.114 0.000 0.872 270 V CB 0.407 32.303 31.823 0.121 0.000 1.002 270 V HN 0.763 nan 8.190 nan 0.000 0.464 271 I N 4.605 125.244 120.570 0.115 0.000 2.460 271 I HA 0.462 4.632 4.170 -0.000 0.000 0.298 271 I C 0.133 176.241 176.117 -0.014 0.000 0.989 271 I CA -0.618 60.721 61.300 0.066 0.000 1.173 271 I CB 1.811 39.851 38.000 0.066 0.000 1.338 271 I HN 0.496 nan 8.210 nan 0.000 0.456 272 K N 6.959 127.279 120.400 -0.134 0.000 2.316 272 K HA 0.444 4.764 4.320 -0.000 0.000 0.267 272 K C -0.901 175.570 176.600 -0.214 0.000 1.025 272 K CA -0.593 55.437 56.287 -0.428 0.000 0.896 272 K CB 0.722 32.857 32.500 -0.608 0.000 1.124 272 K HN 0.407 nan 8.250 nan 0.000 0.451 273 I N 3.053 123.537 120.570 -0.144 0.000 2.532 273 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 273 I C 0.128 176.311 176.117 0.110 0.000 1.014 273 I CA -0.255 61.066 61.300 0.034 0.000 1.340 273 I CB 1.378 39.468 38.000 0.150 0.000 1.422 273 I HN 0.739 nan 8.210 nan 0.000 0.528 274 E N 3.488 123.743 120.200 0.092 0.000 2.272 274 E HA 0.467 4.817 4.350 -0.000 0.000 0.269 274 E C -1.566 174.937 176.600 -0.161 0.000 0.877 274 E CA -0.816 55.596 56.400 0.021 0.000 0.755 274 E CB 2.970 32.656 29.700 -0.024 0.000 1.192 274 E HN 0.248 nan 8.360 nan 0.000 0.422 275 L N 4.664 125.690 121.223 -0.329 0.000 2.319 275 L HA 0.530 4.870 4.340 -0.000 0.000 0.281 275 L C -2.792 173.868 176.870 -0.351 0.000 1.005 275 L CA -2.176 52.349 54.840 -0.525 0.000 0.828 275 L CB 1.170 42.626 42.059 -1.006 0.000 1.227 275 L HN 0.287 nan 8.230 nan 0.000 0.415 276 P HA 0.269 nan 4.420 nan 0.000 0.271 276 P C -1.032 176.049 177.300 -0.365 0.000 1.218 276 P CA -0.142 62.684 63.100 -0.457 0.000 0.780 276 P CB 0.529 31.667 31.700 -0.937 0.000 0.901 277 T N 3.359 117.749 114.554 -0.274 0.000 2.929 277 T HA 0.355 4.705 4.350 -0.000 0.000 0.331 277 T C 0.104 174.682 174.700 -0.203 0.000 1.120 277 T CA -0.426 61.560 62.100 -0.191 0.000 0.973 277 T CB -0.482 68.322 68.868 -0.107 0.000 1.036 277 T HN 0.152 nan 8.240 nan 0.000 0.502 278 L N 3.238 124.321 121.223 -0.233 0.000 2.367 278 L HA 0.448 4.788 4.340 -0.000 0.000 0.275 278 L C 0.714 177.433 176.870 -0.252 0.000 1.129 278 L CA -0.368 54.338 54.840 -0.223 0.000 0.839 278 L CB 0.291 42.244 42.059 -0.177 0.000 1.133 278 L HN 0.470 nan 8.230 nan 0.000 0.453 279 T N 1.556 115.839 114.554 -0.451 0.000 2.930 279 T HA 0.507 4.857 4.350 -0.000 0.000 0.290 279 T C -0.280 174.088 174.700 -0.554 0.000 1.052 279 T CA -0.531 61.269 62.100 -0.500 0.000 1.017 279 T CB 2.529 71.034 68.868 -0.604 0.000 1.137 279 T HN 0.194 nan 8.240 nan 0.000 0.511 280 V N 2.133 121.907 119.914 -0.233 0.000 2.439 280 V HA 0.357 4.477 4.120 -0.000 0.000 0.282 280 V C 0.258 176.478 176.094 0.210 0.000 1.039 280 V CA -0.673 61.599 62.300 -0.045 0.000 0.913 280 V CB 1.409 33.225 31.823 -0.010 0.000 0.983 280 V HN 0.820 nan 8.190 nan 0.000 0.460 281 Q N 6.525 126.515 119.800 0.318 0.000 2.295 281 Q HA 0.308 4.648 4.340 -0.000 0.000 0.259 281 Q C -2.444 173.631 176.000 0.125 0.000 0.976 281 Q CA -1.432 54.566 55.803 0.324 0.000 0.923 281 Q CB 1.304 30.181 28.738 0.231 0.000 1.185 281 Q HN 0.482 nan 8.270 nan 0.000 0.410 282 P HA 0.061 nan 4.420 nan 0.000 0.272 282 P C -0.917 176.390 177.300 0.012 0.000 1.230 282 P CA 0.384 63.508 63.100 0.040 0.000 0.788 282 P CB 0.657 32.377 31.700 0.034 0.000 0.949 283 A N 0.151 122.973 122.820 0.003 0.000 2.640 283 A HA -0.138 4.182 4.320 -0.000 0.000 0.300 283 A C 0.160 177.732 177.584 -0.020 0.000 1.499 283 A CA 1.340 53.372 52.037 -0.008 0.000 0.759 283 A CB -2.550 16.445 19.000 -0.009 0.000 1.048 283 A HN 0.476 nan 8.150 nan 0.000 0.450 284 T N -0.157 114.382 114.554 -0.025 0.000 3.032 284 T HA 0.592 4.942 4.350 -0.000 0.000 0.312 284 T C -0.570 174.093 174.700 -0.061 0.000 1.078 284 T CA -0.473 61.596 62.100 -0.051 0.000 1.028 284 T CB 1.660 70.491 68.868 -0.063 0.000 1.091 284 T HN 0.564 nan 8.240 nan 0.000 0.457 285 Q N 1.729 121.482 119.800 -0.078 0.000 2.451 285 Q HA 0.691 5.031 4.340 -0.000 0.000 0.281 285 Q C -1.047 174.886 176.000 -0.113 0.000 1.099 285 Q CA -0.994 54.763 55.803 -0.075 0.000 0.806 285 Q CB 2.938 31.649 28.738 -0.046 0.000 1.419 285 Q HN 0.550 nan 8.270 nan 0.000 0.427 286 I N 2.588 123.098 120.570 -0.101 0.000 2.448 286 I HA 0.371 4.541 4.170 -0.000 0.000 0.281 286 I C -0.858 175.233 176.117 -0.043 0.000 1.027 286 I CA -0.411 60.824 61.300 -0.107 0.000 1.111 286 I CB 1.052 38.966 38.000 -0.144 0.000 1.236 286 I HN 0.404 nan 8.210 nan 0.000 0.452 287 I N 4.880 125.433 120.570 -0.027 0.000 2.428 287 I HA 0.302 4.472 4.170 -0.000 0.000 0.296 287 I C -0.581 175.538 176.117 0.003 0.000 0.985 287 I CA -0.523 60.771 61.300 -0.009 0.000 1.260 287 I CB 1.209 39.205 38.000 -0.007 0.000 1.389 287 I HN 0.398 nan 8.210 nan 0.000 0.484 288 D N 6.335 126.738 120.400 0.005 0.000 2.217 288 D HA 0.590 5.230 4.640 -0.000 0.000 0.243 288 D C -0.733 175.567 176.300 0.001 0.000 1.054 288 D CA -0.136 53.867 54.000 0.005 0.000 0.838 288 D CB 1.638 42.440 40.800 0.003 0.000 1.162 288 D HN 0.248 nan 8.370 nan 0.000 0.472 289 L N 1.601 122.820 121.223 -0.005 0.000 2.333 289 L HA 0.793 5.133 4.340 -0.000 0.000 0.280 289 L C -0.042 176.815 176.870 -0.021 0.000 1.004 289 L CA -0.945 53.886 54.840 -0.015 0.000 0.820 289 L CB 1.714 43.760 42.059 -0.022 0.000 1.247 289 L HN 0.373 nan 8.230 nan 0.000 0.416 290 A N 1.793 124.598 122.820 -0.026 0.000 2.313 290 A HA 0.965 5.285 4.320 -0.000 0.000 0.323 290 A C -0.340 177.223 177.584 -0.035 0.000 1.133 290 A CA -0.489 51.529 52.037 -0.032 0.000 0.847 290 A CB 1.802 20.781 19.000 -0.036 0.000 1.308 290 A HN 0.664 nan 8.150 nan 0.000 0.475 291 T N -0.850 113.685 114.554 -0.032 0.000 2.971 291 T HA 0.609 4.959 4.350 -0.000 0.000 0.304 291 T C -0.326 174.370 174.700 -0.007 0.000 1.038 291 T CA -0.369 61.720 62.100 -0.018 0.000 1.007 291 T CB 0.403 69.260 68.868 -0.017 0.000 1.055 291 T HN 1.072 nan 8.240 nan 0.000 0.451 292 I N 0.268 120.847 120.570 0.015 0.000 2.783 292 I HA 0.740 4.910 4.170 -0.000 0.000 0.312 292 I C 0.428 176.588 176.117 0.071 0.000 0.988 292 I CA -1.120 60.198 61.300 0.031 0.000 1.182 292 I CB 1.618 39.650 38.000 0.053 0.000 1.368 292 I HN 0.777 nan 8.210 nan 0.000 0.511 293 S N 2.540 118.290 115.700 0.084 0.000 2.528 293 S HA 0.658 5.128 4.470 -0.000 0.000 0.277 293 S C 0.015 174.703 174.600 0.148 0.000 1.297 293 S CA -0.551 57.718 58.200 0.115 0.000 1.052 293 S CB 0.992 64.262 63.200 0.116 0.000 0.917 293 S HN 0.977 nan 8.310 nan 0.000 0.492 294 A N 2.523 125.439 122.820 0.161 0.000 2.326 294 A HA 0.824 5.144 4.320 -0.000 0.000 0.303 294 A C -0.886 176.813 177.584 0.192 0.000 1.164 294 A CA -0.831 51.306 52.037 0.166 0.000 0.929 294 A CB 0.558 19.650 19.000 0.153 0.000 1.363 294 A HN 0.988 nan 8.150 nan 0.000 0.498 295 F N 0.438 120.387 119.950 -0.003 0.000 2.771 295 F HA 0.610 5.137 4.527 -0.000 0.000 0.365 295 F C -0.951 174.808 175.800 -0.068 0.000 1.169 295 F CA -0.427 57.560 58.000 -0.022 0.000 1.093 295 F CB 0.822 39.819 39.000 -0.006 0.000 1.363 295 F HN 0.354 nan 8.300 nan 0.000 0.496 296 I N 4.380 124.746 120.570 -0.340 0.000 2.646 296 I HA 0.281 4.451 4.170 -0.000 0.000 0.299 296 I C -0.135 175.766 176.117 -0.360 0.000 1.036 296 I CA -1.251 59.864 61.300 -0.308 0.000 1.074 296 I CB 1.622 39.366 38.000 -0.427 0.000 1.258 296 I HN 0.404 nan 8.210 nan 0.000 0.430 297 N N 4.132 122.697 118.700 -0.226 0.000 2.702 297 N HA -0.286 4.454 4.740 -0.000 0.000 0.261 297 N C 0.162 175.541 175.510 -0.218 0.000 0.965 297 N CA 1.200 54.146 53.050 -0.174 0.000 0.795 297 N CB -1.176 37.222 38.487 -0.148 0.000 0.909 297 N HN 0.834 nan 8.380 nan 0.000 0.546 298 N N -1.454 117.078 118.700 -0.281 0.000 2.818 298 N HA -0.236 4.504 4.740 -0.000 0.000 0.250 298 N C -1.038 174.169 175.510 -0.504 0.000 1.108 298 N CA 1.699 54.586 53.050 -0.272 0.000 0.745 298 N CB -0.635 37.808 38.487 -0.073 0.000 1.104 298 N HN 0.850 nan 8.380 nan 0.000 0.557 299 Q N -1.710 117.529 119.800 -0.936 0.000 2.426 299 Q HA 0.331 4.671 4.340 -0.000 0.000 0.278 299 Q C -1.255 174.328 176.000 -0.695 0.000 1.007 299 Q CA -0.989 54.425 55.803 -0.649 0.000 0.850 299 Q CB 1.139 29.704 28.738 -0.288 0.000 1.427 299 Q HN 0.245 nan 8.270 nan 0.000 0.391 300 E N 1.628 121.669 120.200 -0.266 0.000 2.257 300 E HA 0.363 4.713 4.350 -0.000 0.000 0.278 300 E C -0.500 176.084 176.600 -0.026 0.000 1.049 300 E CA -0.450 55.935 56.400 -0.026 0.000 0.876 300 E CB 1.039 30.827 29.700 0.146 0.000 1.035 300 E HN 0.494 nan 8.360 nan 0.000 0.419 301 V N 1.461 121.377 119.914 0.003 0.000 3.156 301 V HA 0.757 4.877 4.120 -0.000 0.000 0.311 301 V C -0.856 175.321 176.094 0.138 0.000 1.208 301 V CA -1.164 61.173 62.300 0.062 0.000 1.063 301 V CB 1.982 33.839 31.823 0.057 0.000 1.098 301 V HN 0.785 nan 8.190 nan 0.000 0.452 302 M N 1.615 121.319 119.600 0.174 0.000 2.322 302 M HA 0.818 5.298 4.480 -0.000 0.000 0.286 302 M C -0.288 176.064 176.300 0.086 0.000 1.111 302 M CA -0.242 55.142 55.300 0.140 0.000 0.941 302 M CB 1.808 34.448 32.600 0.066 0.000 1.671 302 M HN 1.443 nan 8.290 nan 0.000 0.470 303 A N 3.255 126.076 122.820 0.003 0.000 2.520 303 A HA 0.334 4.654 4.320 -0.000 0.000 0.235 303 A C -0.599 176.860 177.584 -0.207 0.000 1.065 303 A CA 0.136 51.978 52.037 -0.326 0.000 0.764 303 A CB 0.288 19.093 19.000 -0.326 0.000 1.002 303 A HN 0.720 nan 8.150 nan 0.000 0.502 304 Q N 1.620 121.264 119.800 -0.260 0.000 2.462 304 Q HA 0.513 4.853 4.340 -0.000 0.000 0.247 304 Q C -1.120 174.797 176.000 -0.139 0.000 1.044 304 Q CA -0.265 55.449 55.803 -0.148 0.000 0.803 304 Q CB 1.161 29.830 28.738 -0.115 0.000 1.190 304 Q HN 0.537 nan 8.270 nan 0.000 0.507 305 L N 1.719 122.880 121.223 -0.104 0.000 2.341 305 L HA 0.637 4.977 4.340 -0.000 0.000 0.254 305 L C -2.184 174.654 176.870 -0.053 0.000 1.040 305 L CA -2.059 52.732 54.840 -0.082 0.000 0.837 305 L CB 0.538 42.547 42.059 -0.085 0.000 1.425 305 L HN 0.299 nan 8.230 nan 0.000 0.414 306 P HA 0.262 nan 4.420 nan 0.000 0.269 306 P C 0.473 177.761 177.300 -0.019 0.000 1.215 306 P CA -0.006 63.081 63.100 -0.022 0.000 0.780 306 P CB 0.696 32.390 31.700 -0.010 0.000 0.898 307 T N 0.187 114.733 114.554 -0.012 0.000 3.067 307 T HA 0.047 4.397 4.350 -0.000 0.000 0.257 307 T C 0.676 175.378 174.700 0.003 0.000 1.105 307 T CA 0.653 62.747 62.100 -0.010 0.000 1.104 307 T CB -0.096 68.765 68.868 -0.011 0.000 0.925 307 T HN 0.297 nan 8.240 nan 0.000 0.498 308 R N 0.858 121.368 120.500 0.017 0.000 2.515 308 R HA 0.568 4.908 4.340 -0.000 0.000 0.291 308 R C -1.983 174.355 176.300 0.062 0.000 1.046 308 R CA -0.255 55.870 56.100 0.041 0.000 0.914 308 R CB 1.427 31.764 30.300 0.062 0.000 1.191 308 R HN -0.022 nan 8.270 nan 0.000 0.435 309 V N 4.899 124.841 119.914 0.047 0.000 2.919 309 V HA 0.567 4.687 4.120 -0.000 0.000 0.316 309 V C -0.264 175.843 176.094 0.022 0.000 1.077 309 V CA -0.899 61.428 62.300 0.045 0.000 0.977 309 V CB 2.171 34.002 31.823 0.014 0.000 1.039 309 V HN 0.789 nan 8.190 nan 0.000 0.441 310 M N 3.567 123.173 119.600 0.011 0.000 2.253 310 M HA 0.640 5.120 4.480 -0.000 0.000 0.314 310 M C -1.872 174.394 176.300 -0.057 0.000 1.019 310 M CA -0.488 54.760 55.300 -0.088 0.000 0.932 310 M CB 1.558 34.053 32.600 -0.175 0.000 1.606 310 M HN 0.454 nan 8.290 nan 0.000 0.430 311 V N 3.708 123.582 119.914 -0.067 0.000 2.513 311 V HA 0.595 4.715 4.120 -0.000 0.000 0.299 311 V C -0.151 175.915 176.094 -0.046 0.000 1.035 311 V CA -0.502 61.773 62.300 -0.042 0.000 0.889 311 V CB 1.686 33.492 31.823 -0.030 0.000 0.988 311 V HN 0.912 nan 8.190 nan 0.000 0.440 312 T N 2.772 117.306 114.554 -0.032 0.000 3.658 312 T HA 0.617 4.967 4.350 -0.000 0.000 0.245 312 T C 0.705 175.393 174.700 -0.019 0.000 1.292 312 T CA 0.237 62.320 62.100 -0.029 0.000 1.598 312 T CB 0.462 69.312 68.868 -0.030 0.000 0.861 312 T HN 1.488 nan 8.240 nan 0.000 0.663 313 G N 2.797 111.588 108.800 -0.016 0.000 2.972 313 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.265 313 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.265 313 G C 1.203 176.098 174.900 -0.008 0.000 1.506 313 G CA 0.558 45.651 45.100 -0.010 0.000 1.016 313 G HN 1.062 nan 8.290 nan 0.000 0.563 314 S N 0.597 116.292 115.700 -0.007 0.000 2.511 314 S HA 0.536 5.006 4.470 -0.000 0.000 0.214 314 S C 1.055 175.651 174.600 -0.006 0.000 0.997 314 S CA 0.465 58.662 58.200 -0.005 0.000 0.908 314 S CB 0.052 63.249 63.200 -0.004 0.000 0.803 314 S HN 0.733 nan 8.310 nan 0.000 0.504 315 L N 2.240 123.459 121.223 -0.007 0.000 2.331 315 L HA 0.552 4.892 4.340 -0.000 0.000 0.278 315 L C -0.425 176.441 176.870 -0.006 0.000 1.106 315 L CA -0.301 54.535 54.840 -0.006 0.000 0.824 315 L CB 0.708 42.763 42.059 -0.006 0.000 1.142 315 L HN 0.205 nan 8.230 nan 0.000 0.443 316 I N 3.005 123.574 120.570 -0.002 0.000 2.534 316 I HA 0.361 4.531 4.170 -0.000 0.000 0.288 316 I C -0.655 175.470 176.117 0.013 0.000 1.077 316 I CA -0.480 60.821 61.300 0.001 0.000 1.051 316 I CB 2.149 40.148 38.000 -0.002 0.000 1.234 316 I HN 0.676 nan 8.210 nan 0.000 0.425 317 Q N 3.571 123.389 119.800 0.029 0.000 2.458 317 Q HA 0.760 5.100 4.340 -0.000 0.000 0.282 317 Q C -0.743 175.302 176.000 0.075 0.000 1.106 317 Q CA -1.026 54.808 55.803 0.052 0.000 0.814 317 Q CB 2.923 31.710 28.738 0.080 0.000 1.425 317 Q HN 0.745 nan 8.270 nan 0.000 0.437 318 A N 0.980 123.839 122.820 0.065 0.000 2.354 318 A HA 0.407 4.727 4.320 -0.000 0.000 0.269 318 A C -1.408 176.254 177.584 0.131 0.000 1.109 318 A CA 0.112 52.189 52.037 0.067 0.000 0.800 318 A CB 0.117 19.129 19.000 0.020 0.000 1.045 318 A HN 0.723 nan 8.150 nan 0.000 0.489 319 Y N 3.693 123.981 120.300 -0.019 0.000 2.520 319 Y HA 0.331 4.881 4.550 -0.000 0.000 0.339 319 Y C -2.585 173.304 175.900 -0.018 0.000 1.113 319 Y CA -1.823 56.266 58.100 -0.018 0.000 1.255 319 Y CB 1.813 40.264 38.460 -0.015 0.000 1.099 319 Y HN 0.547 nan 8.280 nan 0.000 0.628 320 P HA 0.286 nan 4.420 nan 0.000 0.287 320 P C -0.358 176.883 177.300 -0.099 0.000 1.294 320 P CA -0.093 62.989 63.100 -0.030 0.000 0.776 320 P CB 1.823 33.495 31.700 -0.046 0.000 0.889 321 A N 3.079 125.895 122.820 -0.007 0.000 2.988 321 A HA 0.188 4.508 4.320 -0.000 0.000 0.288 321 A C 1.659 179.231 177.584 -0.020 0.000 1.385 321 A CA -0.023 52.003 52.037 -0.019 0.000 1.001 321 A CB -0.942 18.119 19.000 0.102 0.000 1.071 321 A HN 0.544 nan 8.150 nan 0.000 0.608 322 S N -0.300 115.376 115.700 -0.040 0.000 2.420 322 S HA -0.204 4.266 4.470 -0.000 0.000 0.237 322 S C 1.261 175.845 174.600 -0.026 0.000 1.023 322 S CA 1.385 59.567 58.200 -0.029 0.000 0.991 322 S CB -0.178 63.000 63.200 -0.037 0.000 0.792 322 S HN 0.557 nan 8.310 nan 0.000 0.488 323 Q N -0.083 119.693 119.800 -0.039 0.000 2.247 323 Q HA 0.369 4.709 4.340 -0.000 0.000 0.204 323 Q C 0.235 176.228 176.000 -0.012 0.000 0.872 323 Q CA -0.055 55.731 55.803 -0.029 0.000 0.951 323 Q CB -0.013 28.698 28.738 -0.045 0.000 1.099 323 Q HN 0.608 nan 8.270 nan 0.000 0.501 324 c N 0.276 118.876 118.600 -0.000 0.000 2.407 324 c HA 0.612 5.182 4.570 -0.000 0.000 0.366 324 c C 0.760 174.877 174.090 0.046 0.000 1.213 324 c CA -0.655 55.694 56.329 0.033 0.000 2.011 324 c CB 1.409 43.953 42.510 0.056 0.000 2.306 324 c HN 0.134 nan 8.230 nan 0.000 0.527 325 T N 2.070 116.665 114.554 0.069 0.000 2.743 325 T HA 0.486 4.836 4.350 -0.000 0.000 0.293 325 T C -0.332 174.397 174.700 0.047 0.000 0.945 325 T CA 0.285 62.415 62.100 0.051 0.000 1.030 325 T CB -0.068 68.832 68.868 0.053 0.000 0.912 325 T HN 0.362 nan 8.240 nan 0.000 0.483 326 I N 2.567 123.155 120.570 0.030 0.000 2.404 326 I HA 0.379 4.549 4.170 -0.000 0.000 0.293 326 I C 0.642 176.765 176.117 0.010 0.000 0.992 326 I CA -0.548 60.768 61.300 0.025 0.000 1.149 326 I CB 2.005 40.020 38.000 0.025 0.000 1.315 326 I HN 0.484 nan 8.210 nan 0.000 0.446 327 T N 5.720 120.277 114.554 0.006 0.000 2.938 327 T HA 0.375 4.725 4.350 -0.000 0.000 0.285 327 T C -1.974 172.721 174.700 -0.008 0.000 1.028 327 T CA -1.730 60.367 62.100 -0.005 0.000 1.005 327 T CB 1.957 70.819 68.868 -0.009 0.000 1.157 327 T HN 0.279 nan 8.240 nan 0.000 0.550 328 P HA 0.084 nan 4.420 nan 0.000 0.220 328 P C 0.671 177.960 177.300 -0.019 0.000 1.148 328 P CA 0.885 63.974 63.100 -0.018 0.000 0.803 328 P CB 0.267 31.954 31.700 -0.022 0.000 0.782 329 N N -2.183 116.506 118.700 -0.018 0.000 2.170 329 N HA 0.123 4.863 4.740 -0.000 0.000 0.222 329 N C -0.315 175.185 175.510 -0.017 0.000 1.218 329 N CA 0.453 53.491 53.050 -0.020 0.000 0.889 329 N CB 1.146 39.620 38.487 -0.022 0.000 1.083 329 N HN 0.084 nan 8.380 nan 0.000 0.520 330 T N -0.246 114.301 114.554 -0.012 0.000 2.853 330 T HA 0.424 4.774 4.350 -0.000 0.000 0.311 330 T C -0.861 173.844 174.700 0.009 0.000 1.307 330 T CA -0.426 61.670 62.100 -0.007 0.000 1.019 330 T CB 2.939 71.800 68.868 -0.011 0.000 1.264 330 T HN -0.335 nan 8.240 nan 0.000 0.497 331 V N 1.752 121.677 119.914 0.019 0.000 2.488 331 V HA 0.642 4.762 4.120 -0.000 0.000 0.293 331 V C -0.501 175.640 176.094 0.079 0.000 1.027 331 V CA -0.757 61.574 62.300 0.052 0.000 0.862 331 V CB 0.878 32.737 31.823 0.061 0.000 1.008 331 V HN 1.080 nan 8.190 nan 0.000 0.428 332 Y N 2.007 122.370 120.300 0.105 0.000 2.335 332 Y HA 0.651 5.201 4.550 -0.000 0.000 0.339 332 Y C 0.109 176.113 175.900 0.174 0.000 0.987 332 Y CA -1.095 57.112 58.100 0.180 0.000 1.140 332 Y CB 1.201 39.791 38.460 0.216 0.000 1.173 332 Y HN 0.767 nan 8.280 nan 0.000 0.486 333 c N 2.716 121.356 118.600 0.067 0.000 2.456 333 c HA 0.751 5.321 4.570 -0.000 0.000 0.325 333 c C 1.849 175.604 174.090 -0.559 0.000 1.217 333 c CA -0.117 56.157 56.329 -0.092 0.000 1.687 333 c CB 1.081 43.615 42.510 0.039 0.000 2.270 333 c HN 1.312 nan 8.230 nan 0.000 0.499 334 R N 0.794 120.982 120.500 -0.520 0.000 2.075 334 R HA 0.196 4.536 4.340 -0.000 0.000 0.230 334 R C 0.973 177.007 176.300 -0.444 0.000 1.140 334 R CA 2.503 58.190 56.100 -0.689 0.000 0.928 334 R CB -1.137 29.030 30.300 -0.220 0.000 0.834 334 R HN 1.227 nan 8.270 nan 0.000 0.429 335 Y N -1.088 119.077 120.300 -0.225 0.000 2.693 335 Y HA 0.691 5.241 4.550 -0.000 0.000 0.331 335 Y C -0.249 175.600 175.900 -0.084 0.000 1.092 335 Y CA -1.049 56.974 58.100 -0.129 0.000 1.131 335 Y CB 0.880 39.286 38.460 -0.091 0.000 1.318 335 Y HN 0.457 nan 8.280 nan 0.000 0.510 336 N N 1.109 119.784 118.700 -0.041 0.000 2.470 336 N HA 0.183 4.923 4.740 -0.000 0.000 0.268 336 N C -0.813 174.621 175.510 -0.127 0.000 1.136 336 N CA 0.359 53.405 53.050 -0.007 0.000 0.961 336 N CB 1.398 39.915 38.487 0.051 0.000 1.067 336 N HN 0.807 nan 8.380 nan 0.000 0.468 337 D N 1.792 121.993 120.400 -0.333 0.000 2.462 337 D HA 0.255 4.895 4.640 -0.000 0.000 0.221 337 D C -0.089 176.004 176.300 -0.345 0.000 1.173 337 D CA -0.361 53.427 54.000 -0.352 0.000 0.831 337 D CB 0.136 40.688 40.800 -0.414 0.000 1.001 337 D HN 0.602 nan 8.370 nan 0.000 0.499 338 A N 0.312 122.990 122.820 -0.237 0.000 2.520 338 A HA 0.347 4.667 4.320 -0.000 0.000 0.235 338 A C 0.051 177.612 177.584 -0.038 0.000 1.065 338 A CA 0.339 52.349 52.037 -0.046 0.000 0.764 338 A CB 0.302 19.389 19.000 0.146 0.000 1.002 338 A HN 0.358 nan 8.150 nan 0.000 0.502 339 Q N 0.135 119.928 119.800 -0.011 0.000 2.347 339 Q HA 0.483 4.823 4.340 -0.000 0.000 0.271 339 Q C -0.494 175.508 176.000 0.003 0.000 1.064 339 Q CA -0.916 54.878 55.803 -0.015 0.000 0.800 339 Q CB 2.350 31.071 28.738 -0.028 0.000 1.304 339 Q HN 0.899 nan 8.270 nan 0.000 0.438 340 V N 1.834 121.747 119.914 -0.001 0.000 2.655 340 V HA 0.307 4.427 4.120 -0.000 0.000 0.300 340 V C -0.454 175.639 176.094 -0.003 0.000 1.044 340 V CA -0.183 62.118 62.300 0.001 0.000 1.095 340 V CB 0.066 31.888 31.823 -0.002 0.000 0.952 340 V HN 0.640 nan 8.190 nan 0.000 0.485 341 L N 5.384 126.607 121.223 -0.001 0.000 2.399 341 L HA 0.532 4.872 4.340 -0.000 0.000 0.265 341 L C 0.893 177.758 176.870 -0.009 0.000 1.089 341 L CA -0.296 54.540 54.840 -0.006 0.000 0.802 341 L CB 1.784 43.839 42.059 -0.006 0.000 1.180 341 L HN 1.008 nan 8.230 nan 0.000 0.454 342 S N -0.991 114.701 115.700 -0.013 0.000 2.584 342 S HA 0.089 4.559 4.470 -0.000 0.000 0.273 342 S C 0.585 175.178 174.600 -0.011 0.000 1.311 342 S CA -0.798 57.395 58.200 -0.012 0.000 1.034 342 S CB 1.123 64.314 63.200 -0.015 0.000 0.939 342 S HN 0.599 nan 8.310 nan 0.000 0.513 343 D N 1.395 121.790 120.400 -0.008 0.000 2.172 343 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 343 D C 1.107 177.402 176.300 -0.008 0.000 0.999 343 D CA 1.536 55.532 54.000 -0.007 0.000 0.856 343 D CB -0.186 40.611 40.800 -0.004 0.000 0.934 343 D HN 0.657 nan 8.370 nan 0.000 0.453 344 D N -0.059 120.335 120.400 -0.010 0.000 2.123 344 D HA -0.069 4.571 4.640 -0.000 0.000 0.200 344 D C 2.003 178.290 176.300 -0.021 0.000 0.976 344 D CA 0.894 54.887 54.000 -0.012 0.000 0.831 344 D CB -0.141 40.652 40.800 -0.012 0.000 0.974 344 D HN 0.153 nan 8.370 nan 0.000 0.469 345 T N 1.353 115.891 114.554 -0.027 0.000 2.674 345 T HA -0.118 4.232 4.350 -0.000 0.000 0.265 345 T C 2.169 176.851 174.700 -0.029 0.000 1.039 345 T CA 0.867 62.945 62.100 -0.037 0.000 1.150 345 T CB -0.087 68.760 68.868 -0.035 0.000 0.864 345 T HN 0.109 nan 8.240 nan 0.000 0.427 346 M N 1.040 120.629 119.600 -0.019 0.000 2.082 346 M HA -0.148 4.332 4.480 -0.000 0.000 0.258 346 M C 2.920 179.212 176.300 -0.013 0.000 1.071 346 M CA 1.938 57.230 55.300 -0.014 0.000 1.103 346 M CB -0.925 31.669 32.600 -0.009 0.000 1.307 346 M HN 0.340 nan 8.290 nan 0.000 0.409 347 A N -0.314 122.500 122.820 -0.010 0.000 1.958 347 A HA -0.277 4.043 4.320 -0.000 0.000 0.221 347 A C 2.456 180.037 177.584 -0.006 0.000 1.178 347 A CA 2.166 54.201 52.037 -0.005 0.000 0.642 347 A CB -1.562 17.438 19.000 -0.001 0.000 0.816 347 A HN 0.741 nan 8.150 nan 0.000 0.453 348 c N -0.790 117.801 118.600 -0.015 0.000 2.440 348 c HA 0.051 4.621 4.570 -0.000 0.000 0.278 348 c C 2.544 176.620 174.090 -0.023 0.000 1.295 348 c CA 1.097 57.413 56.329 -0.021 0.000 1.738 348 c CB -1.507 40.971 42.510 -0.053 0.000 1.987 348 c HN 0.572 nan 8.230 nan 0.000 0.492 349 L N 0.206 121.413 121.223 -0.025 0.000 2.217 349 L HA -0.053 4.287 4.340 -0.000 0.000 0.211 349 L C 2.412 179.274 176.870 -0.012 0.000 1.107 349 L CA 1.148 55.975 54.840 -0.022 0.000 0.783 349 L CB -0.549 41.496 42.059 -0.022 0.000 0.919 349 L HN 0.436 nan 8.230 nan 0.000 0.442 350 Q N -0.299 119.497 119.800 -0.008 0.000 2.291 350 Q HA 0.117 4.457 4.340 -0.000 0.000 0.211 350 Q C 1.352 177.353 176.000 0.002 0.000 0.925 350 Q CA 0.507 56.308 55.803 -0.002 0.000 0.949 350 Q CB 0.420 29.157 28.738 -0.002 0.000 1.015 350 Q HN 0.567 nan 8.270 nan 0.000 0.477 351 G N 1.488 110.290 108.800 0.004 0.000 2.399 351 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.216 351 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.216 351 G C 0.401 175.312 174.900 0.019 0.000 1.096 351 G CA -0.218 44.889 45.100 0.011 0.000 0.650 351 G HN 0.396 nan 8.290 nan 0.000 0.512 352 N N 2.209 120.919 118.700 0.016 0.000 2.416 352 N HA 0.198 4.938 4.740 -0.000 0.000 0.291 352 N C 1.744 177.276 175.510 0.036 0.000 1.257 352 N CA 0.249 53.312 53.050 0.023 0.000 1.043 352 N CB -0.331 38.166 38.487 0.017 0.000 1.441 352 N HN 0.498 nan 8.380 nan 0.000 0.490 353 L N 1.261 122.516 121.223 0.053 0.000 2.549 353 L HA -0.088 4.252 4.340 -0.000 0.000 0.229 353 L C 1.902 178.845 176.870 0.122 0.000 1.158 353 L CA 0.950 55.847 54.840 0.095 0.000 0.842 353 L CB -0.706 41.421 42.059 0.114 0.000 0.952 353 L HN 0.498 nan 8.230 nan 0.000 0.452 354 T N -4.105 110.497 114.554 0.079 0.000 3.113 354 T HA -0.004 4.346 4.350 -0.000 0.000 0.256 354 T C 1.677 176.423 174.700 0.077 0.000 1.131 354 T CA 0.124 62.271 62.100 0.078 0.000 1.074 354 T CB -0.008 68.887 68.868 0.045 0.000 0.944 354 T HN 0.258 nan 8.240 nan 0.000 0.516 355 R N -0.081 120.455 120.500 0.060 0.000 2.468 355 R HA 0.339 4.679 4.340 -0.000 0.000 0.280 355 R C 0.170 176.480 176.300 0.016 0.000 0.963 355 R CA -0.256 55.865 56.100 0.036 0.000 1.083 355 R CB -0.258 30.051 30.300 0.016 0.000 1.200 355 R HN 0.393 nan 8.270 nan 0.000 0.541 356 c N 0.376 118.996 118.600 0.032 0.000 2.574 356 c HA 0.410 4.980 4.570 -0.000 0.000 0.335 356 c C 0.899 174.920 174.090 -0.115 0.000 1.493 356 c CA -0.009 56.256 56.329 -0.107 0.000 2.217 356 c CB 1.276 43.642 42.510 -0.241 0.000 2.056 356 c HN 0.246 nan 8.230 nan 0.000 0.607 357 T N 1.037 115.364 114.554 -0.378 0.000 2.991 357 T HA 0.569 4.919 4.350 -0.000 0.000 0.303 357 T C -1.252 173.194 174.700 -0.423 0.000 1.015 357 T CA -0.024 61.956 62.100 -0.201 0.000 1.007 357 T CB 0.581 69.383 68.868 -0.111 0.000 1.034 357 T HN 0.334 nan 8.240 nan 0.000 0.446 358 F N 1.099 121.039 119.950 -0.017 0.000 2.507 358 F HA 0.657 5.184 4.527 -0.000 0.000 0.325 358 F C 0.575 176.361 175.800 -0.023 0.000 1.116 358 F CA -0.954 57.035 58.000 -0.019 0.000 0.930 358 F CB 1.970 40.955 39.000 -0.025 0.000 1.146 358 F HN 0.355 nan 8.300 nan 0.000 0.447 359 S N 4.046 119.825 115.700 0.131 0.000 2.509 359 S HA 0.552 5.022 4.470 -0.000 0.000 0.297 359 S C -2.618 172.021 174.600 0.066 0.000 1.118 359 S CA -1.378 56.864 58.200 0.071 0.000 1.074 359 S CB 1.645 64.864 63.200 0.032 0.000 1.038 359 S HN 0.291 nan 8.310 nan 0.000 0.498 360 P HA 0.278 nan 4.420 nan 0.000 0.272 360 P C -0.689 176.627 177.300 0.026 0.000 1.230 360 P CA -0.269 62.841 63.100 0.017 0.000 0.788 360 P CB 0.579 32.277 31.700 -0.004 0.000 0.949 361 V N -1.362 118.571 119.914 0.030 0.000 3.188 361 V HA 0.468 4.588 4.120 -0.000 0.000 0.305 361 V C -0.633 175.487 176.094 0.044 0.000 1.232 361 V CA -1.060 61.262 62.300 0.037 0.000 1.043 361 V CB 1.904 33.754 31.823 0.044 0.000 1.068 361 V HN 0.168 nan 8.190 nan 0.000 0.439 362 V N 2.522 122.463 119.914 0.044 0.000 2.247 362 V HA 0.633 4.753 4.120 -0.000 0.000 0.262 362 V C 1.246 177.376 176.094 0.060 0.000 1.096 362 V CA 0.456 62.787 62.300 0.052 0.000 0.895 362 V CB 0.165 32.014 31.823 0.043 0.000 1.141 362 V HN 1.280 nan 8.190 nan 0.000 0.478 363 G N 3.549 112.395 108.800 0.077 0.000 2.614 363 G HA2 0.451 4.411 3.960 -0.000 0.000 0.239 363 G HA3 0.451 4.411 3.960 -0.000 0.000 0.239 363 G C 0.166 175.121 174.900 0.092 0.000 1.240 363 G CA 0.470 45.620 45.100 0.084 0.000 0.842 363 G HN 0.879 nan 8.290 nan 0.000 0.584 364 S N -0.112 115.645 115.700 0.095 0.000 2.651 364 S HA 0.451 4.921 4.470 -0.000 0.000 0.279 364 S C 0.662 175.363 174.600 0.169 0.000 1.148 364 S CA -0.500 57.778 58.200 0.131 0.000 0.837 364 S CB 1.136 64.401 63.200 0.109 0.000 1.138 364 S HN 0.721 nan 8.310 nan 0.000 0.478 365 F N 1.302 121.303 119.950 0.085 0.000 2.115 365 F HA -0.066 4.461 4.527 -0.000 0.000 0.300 365 F C 1.603 177.443 175.800 0.067 0.000 1.092 365 F CA 1.841 59.919 58.000 0.131 0.000 1.245 365 F CB -0.659 38.423 39.000 0.136 0.000 0.995 365 F HN 0.570 nan 8.300 nan 0.000 0.481 366 L N -0.343 120.804 121.223 -0.126 0.000 2.362 366 L HA -0.120 4.220 4.340 -0.000 0.000 0.219 366 L C 1.767 178.453 176.870 -0.307 0.000 1.134 366 L CA 1.536 56.190 54.840 -0.309 0.000 0.807 366 L CB -0.911 41.088 42.059 -0.100 0.000 0.927 366 L HN 0.351 nan 8.230 nan 0.000 0.447 367 T N -5.597 108.854 114.554 -0.170 0.000 3.040 367 T HA 0.163 4.513 4.350 -0.000 0.000 0.266 367 T C 1.571 176.238 174.700 -0.056 0.000 1.005 367 T CA -0.383 61.648 62.100 -0.114 0.000 0.906 367 T CB 0.243 69.088 68.868 -0.038 0.000 1.082 367 T HN 0.121 nan 8.240 nan 0.000 0.531 368 R N 0.398 120.877 120.500 -0.035 0.000 2.276 368 R HA 0.395 4.735 4.340 -0.000 0.000 0.196 368 R C 0.066 176.492 176.300 0.209 0.000 0.961 368 R CA 0.398 56.562 56.100 0.106 0.000 1.024 368 R CB 0.150 30.559 30.300 0.181 0.000 0.940 368 R HN 0.624 nan 8.270 nan 0.000 0.480 369 F N -3.241 116.676 119.950 -0.054 0.000 2.923 369 F HA 0.688 5.215 4.527 -0.000 0.000 0.323 369 F C -1.453 174.341 175.800 -0.011 0.000 1.189 369 F CA -1.518 56.483 58.000 0.002 0.000 0.930 369 F CB 1.348 40.367 39.000 0.032 0.000 1.414 369 F HN -0.319 nan 8.300 nan 0.000 0.496 370 V N 1.435 121.557 119.914 0.348 0.000 3.036 370 V HA 0.528 4.648 4.120 -0.000 0.000 0.280 370 V C -2.239 174.052 176.094 0.327 0.000 1.497 370 V CA -0.669 61.713 62.300 0.136 0.000 0.982 370 V CB 1.865 33.705 31.823 0.027 0.000 1.171 370 V HN 1.012 nan 8.190 nan 0.000 0.444 371 L N 5.462 126.818 121.223 0.223 0.000 2.334 371 L HA 0.693 5.033 4.340 -0.000 0.000 0.277 371 L C -0.713 176.290 176.870 0.221 0.000 1.075 371 L CA 0.144 55.117 54.840 0.222 0.000 0.804 371 L CB 1.427 43.532 42.059 0.078 0.000 1.174 371 L HN 0.706 nan 8.230 nan 0.000 0.438 372 F N 3.575 123.573 119.950 0.080 0.000 2.902 372 F HA 0.301 4.828 4.527 -0.000 0.000 0.368 372 F C -0.173 175.660 175.800 0.055 0.000 1.202 372 F CA -0.700 57.303 58.000 0.005 0.000 1.109 372 F CB 0.366 39.285 39.000 -0.136 0.000 1.418 372 F HN 0.586 nan 8.300 nan 0.000 0.527 373 D N 4.614 124.910 120.400 -0.173 0.000 2.697 373 D HA -0.187 4.453 4.640 -0.000 0.000 0.238 373 D C 1.162 177.498 176.300 0.061 0.000 1.152 373 D CA 1.880 55.817 54.000 -0.105 0.000 0.666 373 D CB -0.802 39.898 40.800 -0.168 0.000 1.037 373 D HN 1.189 nan 8.370 nan 0.000 0.423 374 G N -1.078 107.770 108.800 0.080 0.000 2.579 374 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.222 374 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.222 374 G C 0.520 175.535 174.900 0.192 0.000 1.201 374 G CA 0.217 45.387 45.100 0.117 0.000 0.710 374 G HN 0.457 nan 8.290 nan 0.000 0.516 375 I N 2.153 122.878 120.570 0.258 0.000 2.836 375 I HA 0.508 4.678 4.170 -0.000 0.000 0.285 375 I C 1.007 177.358 176.117 0.391 0.000 1.174 375 I CA -0.472 61.010 61.300 0.302 0.000 1.405 375 I CB 0.902 39.141 38.000 0.399 0.000 1.385 375 I HN 0.726 nan 8.210 nan 0.000 0.594 376 V N 5.447 125.558 119.914 0.328 0.000 2.487 376 V HA 0.498 4.618 4.120 -0.000 0.000 0.298 376 V C -1.428 174.870 176.094 0.340 0.000 1.028 376 V CA -0.536 62.003 62.300 0.397 0.000 0.860 376 V CB 1.499 33.532 31.823 0.350 0.000 0.991 376 V HN 0.462 nan 8.190 nan 0.000 0.427 377 Y N 4.683 125.081 120.300 0.163 0.000 2.328 377 Y HA 0.896 5.446 4.550 -0.000 0.000 0.337 377 Y C 0.555 176.547 175.900 0.153 0.000 1.008 377 Y CA -0.014 58.150 58.100 0.107 0.000 1.129 377 Y CB 1.772 40.260 38.460 0.047 0.000 1.185 377 Y HN 1.142 nan 8.280 nan 0.000 0.476 378 A N 2.552 125.506 122.820 0.224 0.000 2.609 378 A HA 0.463 4.783 4.320 -0.000 0.000 0.291 378 A C -1.255 176.410 177.584 0.135 0.000 1.096 378 A CA -1.016 51.148 52.037 0.212 0.000 0.684 378 A CB 1.454 20.572 19.000 0.197 0.000 1.282 378 A HN 0.598 nan 8.150 nan 0.000 0.412 379 N N 0.991 119.776 118.700 0.141 0.000 2.521 379 N HA 0.144 4.884 4.740 -0.000 0.000 0.236 379 N C 0.272 175.814 175.510 0.054 0.000 1.067 379 N CA -0.183 52.931 53.050 0.106 0.000 0.939 379 N CB 0.510 39.083 38.487 0.142 0.000 1.201 379 N HN 0.514 nan 8.380 nan 0.000 0.511 380 c N 2.116 120.717 118.600 0.002 0.000 2.626 380 c HA 0.112 4.682 4.570 -0.000 0.000 0.266 380 c C 2.545 176.571 174.090 -0.108 0.000 1.317 380 c CA 0.487 56.792 56.329 -0.039 0.000 1.716 380 c CB -1.325 41.158 42.510 -0.047 0.000 1.819 380 c HN 0.824 nan 8.230 nan 0.000 0.578 381 R N 0.289 120.674 120.500 -0.191 0.000 2.080 381 R HA 0.026 4.366 4.340 -0.000 0.000 0.222 381 R C 2.005 178.083 176.300 -0.369 0.000 1.107 381 R CA 1.857 57.701 56.100 -0.427 0.000 0.980 381 R CB -1.142 28.619 30.300 -0.898 0.000 0.879 381 R HN 0.499 nan 8.270 nan 0.000 0.439 382 S N -0.494 115.096 115.700 -0.184 0.000 2.446 382 S HA 0.248 4.718 4.470 -0.000 0.000 0.225 382 S C 0.823 175.439 174.600 0.027 0.000 1.016 382 S CA 0.557 58.750 58.200 -0.012 0.000 0.943 382 S CB 0.036 63.323 63.200 0.145 0.000 0.786 382 S HN 0.603 nan 8.310 nan 0.000 0.508 383 M N 1.794 121.413 119.600 0.031 0.000 2.393 383 M HA 0.447 4.927 4.480 -0.000 0.000 0.316 383 M C -1.584 174.729 176.300 0.022 0.000 1.087 383 M CA -0.981 54.359 55.300 0.067 0.000 0.937 383 M CB 1.478 34.164 32.600 0.144 0.000 1.668 383 M HN 0.072 nan 8.290 nan 0.000 0.438 384 L N 5.772 127.007 121.223 0.020 0.000 2.485 384 L HA 0.223 4.563 4.340 -0.000 0.000 0.279 384 L C -1.040 175.818 176.870 -0.021 0.000 1.124 384 L CA 0.370 55.203 54.840 -0.011 0.000 0.888 384 L CB -0.037 42.015 42.059 -0.012 0.000 1.217 384 L HN 0.777 nan 8.230 nan 0.000 0.464 385 c N 5.381 123.956 118.600 -0.043 0.000 2.861 385 c HA 0.158 4.728 4.570 -0.000 0.000 0.542 385 c C 0.995 175.035 174.090 -0.085 0.000 1.074 385 c CA -0.748 55.539 56.329 -0.070 0.000 1.232 385 c CB -1.693 40.774 42.510 -0.072 0.000 1.433 385 c HN 0.737 nan 8.230 nan 0.000 0.606 386 K N 1.677 122.029 120.400 -0.081 0.000 2.228 386 K HA 0.158 4.478 4.320 -0.000 0.000 0.284 386 K C 0.274 176.810 176.600 -0.106 0.000 1.088 386 K CA -0.203 56.035 56.287 -0.081 0.000 0.941 386 K CB -0.111 32.351 32.500 -0.065 0.000 1.158 386 K HN 0.704 nan 8.250 nan 0.000 0.438 387 c N 5.973 124.510 118.600 -0.106 0.000 2.644 387 c HA 0.140 4.710 4.570 -0.000 0.000 0.417 387 c C 1.597 175.629 174.090 -0.097 0.000 1.304 387 c CA -0.685 55.572 56.329 -0.120 0.000 2.035 387 c CB -0.093 42.355 42.510 -0.104 0.000 2.673 387 c HN 0.914 nan 8.230 nan 0.000 0.602 388 M N 3.455 122.993 119.600 -0.104 0.000 2.553 388 M HA 0.076 4.556 4.480 -0.000 0.000 0.255 388 M C 2.564 178.828 176.300 -0.061 0.000 1.181 388 M CA 1.981 57.235 55.300 -0.077 0.000 1.210 388 M CB -1.916 30.637 32.600 -0.078 0.000 1.280 388 M HN 0.966 nan 8.290 nan 0.000 0.495 389 Q N 1.561 121.324 119.800 -0.062 0.000 1.956 389 Q HA -0.160 4.180 4.340 -0.000 0.000 0.208 389 Q C -0.524 175.451 176.000 -0.041 0.000 0.998 389 Q CA 2.299 58.075 55.803 -0.045 0.000 0.855 389 Q CB -2.938 25.775 28.738 -0.042 0.000 0.928 389 Q HN 0.424 nan 8.270 nan 0.000 0.418 390 P HA 0.265 nan 4.420 nan 0.000 0.236 390 P C 0.309 177.585 177.300 -0.040 0.000 1.172 390 P CA 1.000 64.076 63.100 -0.039 0.000 0.759 390 P CB -0.175 31.500 31.700 -0.042 0.000 0.843 391 A N -1.770 121.023 122.820 -0.045 0.000 2.771 391 A HA -0.105 4.215 4.320 -0.000 0.000 0.294 391 A C 0.706 178.265 177.584 -0.042 0.000 1.500 391 A CA 0.852 52.864 52.037 -0.043 0.000 0.829 391 A CB -2.117 16.863 19.000 -0.034 0.000 0.998 391 A HN 0.394 nan 8.150 nan 0.000 0.526 392 A N -0.401 122.391 122.820 -0.047 0.000 2.318 392 A HA 0.648 4.968 4.320 -0.000 0.000 0.317 392 A C 0.020 177.572 177.584 -0.052 0.000 1.159 392 A CA -0.030 51.980 52.037 -0.045 0.000 0.799 392 A CB 1.311 20.286 19.000 -0.041 0.000 1.194 392 A HN 1.218 nan 8.150 nan 0.000 0.479 393 V N 4.565 124.450 119.914 -0.048 0.000 2.479 393 V HA 0.069 4.189 4.120 -0.000 0.000 0.281 393 V C 0.427 176.488 176.094 -0.054 0.000 1.031 393 V CA 0.284 62.552 62.300 -0.052 0.000 1.038 393 V CB 0.189 31.984 31.823 -0.046 0.000 0.981 393 V HN 0.673 nan 8.190 nan 0.000 0.478 394 I N 6.524 127.057 120.570 -0.061 0.000 2.496 394 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 394 I C 0.065 176.144 176.117 -0.062 0.000 1.080 394 I CA 0.160 61.424 61.300 -0.061 0.000 1.404 394 I CB 0.407 38.367 38.000 -0.067 0.000 1.403 394 I HN 0.379 nan 8.210 nan 0.000 0.539 395 L N 5.931 127.118 121.223 -0.060 0.000 2.322 395 L HA 0.517 4.857 4.340 -0.000 0.000 0.269 395 L C -0.328 176.500 176.870 -0.069 0.000 1.012 395 L CA -0.752 54.048 54.840 -0.068 0.000 0.815 395 L CB 1.771 43.795 42.059 -0.059 0.000 1.295 395 L HN 0.577 nan 8.230 nan 0.000 0.438 396 Q N 1.793 121.541 119.800 -0.087 0.000 2.333 396 Q HA 0.432 4.772 4.340 -0.000 0.000 0.268 396 Q C -2.459 173.505 176.000 -0.061 0.000 1.007 396 Q CA -1.693 54.064 55.803 -0.076 0.000 0.810 396 Q CB 2.188 30.867 28.738 -0.097 0.000 1.264 396 Q HN 0.310 nan 8.270 nan 0.000 0.452 397 P HA 0.069 nan 4.420 nan 0.000 0.267 397 P C -0.131 177.176 177.300 0.013 0.000 1.205 397 P CA 0.090 63.182 63.100 -0.013 0.000 0.765 397 P CB 0.981 32.675 31.700 -0.010 0.000 0.828 398 S N 0.918 116.635 115.700 0.029 0.000 2.528 398 S HA -0.130 4.340 4.470 -0.000 0.000 0.244 398 S C 1.513 176.146 174.600 0.055 0.000 0.982 398 S CA 1.433 59.679 58.200 0.077 0.000 0.953 398 S CB -0.538 62.705 63.200 0.072 0.000 0.754 398 S HN 0.656 nan 8.310 nan 0.000 0.529 399 S N -0.264 115.453 115.700 0.027 0.000 2.548 399 S HA 0.238 4.708 4.470 -0.000 0.000 0.215 399 S C 0.485 175.094 174.600 0.014 0.000 0.976 399 S CA -0.457 57.751 58.200 0.014 0.000 0.908 399 S CB 0.263 63.466 63.200 0.005 0.000 0.781 399 S HN 0.142 nan 8.310 nan 0.000 0.519 400 S N 3.012 118.727 115.700 0.024 0.000 2.596 400 S HA 0.461 4.931 4.470 -0.000 0.000 0.318 400 S C -2.180 172.451 174.600 0.051 0.000 1.097 400 S CA -1.158 57.057 58.200 0.025 0.000 1.080 400 S CB 1.928 65.134 63.200 0.009 0.000 0.991 400 S HN 0.030 nan 8.310 nan 0.000 0.471 401 P HA -0.063 nan 4.420 nan 0.000 0.215 401 P C -0.270 177.095 177.300 0.107 0.000 1.157 401 P CA 0.929 64.076 63.100 0.078 0.000 0.868 401 P CB 0.202 31.934 31.700 0.053 0.000 0.788 402 V N -1.824 118.142 119.914 0.085 0.000 2.709 402 V HA 0.364 4.484 4.120 -0.000 0.000 0.308 402 V C -0.087 176.025 176.094 0.030 0.000 1.062 402 V CA -0.848 61.504 62.300 0.085 0.000 0.901 402 V CB 1.646 33.549 31.823 0.133 0.000 1.003 402 V HN -0.009 nan 8.190 nan 0.000 0.425 403 T N 0.953 115.509 114.554 0.004 0.000 2.837 403 T HA 0.737 5.087 4.350 -0.000 0.000 0.285 403 T C -0.166 174.464 174.700 -0.117 0.000 0.984 403 T CA -0.592 61.477 62.100 -0.052 0.000 1.049 403 T CB 1.511 70.351 68.868 -0.047 0.000 0.947 403 T HN 0.374 nan 8.240 nan 0.000 0.472 404 V N 3.273 123.059 119.914 -0.214 0.000 3.083 404 V HA 0.511 4.631 4.120 -0.000 0.000 0.306 404 V C 0.326 176.303 176.094 -0.195 0.000 1.077 404 V CA -0.794 61.281 62.300 -0.374 0.000 1.073 404 V CB 0.864 32.403 31.823 -0.473 0.000 1.081 404 V HN 0.879 nan 8.190 nan 0.000 0.474 405 I N 2.610 123.085 120.570 -0.158 0.000 2.599 405 I HA 0.328 4.498 4.170 -0.000 0.000 0.285 405 I C -1.032 175.076 176.117 -0.015 0.000 1.168 405 I CA -0.422 60.838 61.300 -0.066 0.000 1.060 405 I CB 1.774 39.750 38.000 -0.039 0.000 1.249 405 I HN 0.839 nan 8.210 nan 0.000 0.442 406 D N 5.320 125.710 120.400 -0.016 0.000 2.723 406 D HA 0.283 4.923 4.640 -0.000 0.000 0.247 406 D C 0.897 177.205 176.300 0.012 0.000 1.134 406 D CA -0.739 53.274 54.000 0.021 0.000 1.099 406 D CB 0.942 41.753 40.800 0.018 0.000 1.287 406 D HN 0.466 nan 8.370 nan 0.000 0.634 407 M N -0.590 119.023 119.600 0.022 0.000 2.159 407 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 407 M C 2.575 178.873 176.300 -0.003 0.000 1.063 407 M CA 1.970 57.277 55.300 0.013 0.000 1.110 407 M CB -0.575 32.038 32.600 0.021 0.000 1.374 407 M HN 0.531 nan 8.290 nan 0.000 0.411 408 Y N 0.281 120.578 120.300 -0.005 0.000 2.128 408 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 408 Y C 2.133 178.020 175.900 -0.022 0.000 1.154 408 Y CA 2.425 60.518 58.100 -0.012 0.000 1.149 408 Y CB -1.217 37.236 38.460 -0.012 0.000 0.976 408 Y HN 0.404 nan 8.280 nan 0.000 0.505 409 K N -1.923 118.459 120.400 -0.030 0.000 2.365 409 K HA 0.309 4.629 4.320 -0.000 0.000 0.197 409 K C 0.206 176.777 176.600 -0.048 0.000 1.042 409 K CA 0.841 57.103 56.287 -0.040 0.000 0.987 409 K CB 0.109 32.579 32.500 -0.050 0.000 0.779 409 K HN 0.563 nan 8.250 nan 0.000 0.484 410 c N -2.457 116.116 118.600 -0.045 0.000 3.165 410 c HA 0.253 4.823 4.570 -0.000 0.000 0.345 410 c C 0.129 174.191 174.090 -0.047 0.000 1.367 410 c CA -0.808 55.486 56.329 -0.059 0.000 1.205 410 c CB 1.028 43.483 42.510 -0.091 0.000 1.447 410 c HN -0.015 nan 8.230 nan 0.000 0.451 411 V N 1.133 121.013 119.914 -0.057 0.000 3.264 411 V HA 0.301 4.421 4.120 -0.000 0.000 0.262 411 V C 0.604 176.665 176.094 -0.055 0.000 1.616 411 V CA 0.947 63.226 62.300 -0.035 0.000 1.033 411 V CB 0.969 32.782 31.823 -0.018 0.000 0.865 411 V HN 1.084 nan 8.190 nan 0.000 0.420 412 S N 1.111 116.751 115.700 -0.100 0.000 2.235 412 S HA 0.480 4.950 4.470 -0.000 0.000 0.152 412 S C -0.774 173.689 174.600 -0.228 0.000 1.649 412 S CA -0.374 57.745 58.200 -0.134 0.000 1.277 412 S CB 0.917 64.072 63.200 -0.075 0.000 1.299 412 S HN 0.187 nan 8.310 nan 0.000 0.388 413 L N 2.018 123.008 121.223 -0.389 0.000 2.461 413 L HA 0.457 4.797 4.340 -0.000 0.000 0.272 413 L C 0.076 176.643 176.870 -0.506 0.000 1.197 413 L CA 0.936 55.496 54.840 -0.468 0.000 0.836 413 L CB 0.761 42.466 42.059 -0.591 0.000 1.105 413 L HN 0.797 nan 8.230 nan 0.000 0.477 414 Q N 4.725 124.335 119.800 -0.317 0.000 2.397 414 Q HA 0.421 4.761 4.340 -0.000 0.000 0.260 414 Q C -1.920 173.996 176.000 -0.139 0.000 1.002 414 Q CA -0.434 55.246 55.803 -0.206 0.000 0.716 414 Q CB 0.808 29.472 28.738 -0.123 0.000 1.258 414 Q HN 0.766 nan 8.270 nan 0.000 0.477 415 L N 4.938 126.102 121.223 -0.098 0.000 2.261 415 L HA 0.233 4.573 4.340 -0.000 0.000 0.289 415 L C -0.211 176.691 176.870 0.054 0.000 1.059 415 L CA -0.797 54.050 54.840 0.012 0.000 0.816 415 L CB 0.611 42.678 42.059 0.014 0.000 1.191 415 L HN 0.776 nan 8.230 nan 0.000 0.431 416 D N 4.237 124.634 120.400 -0.005 0.000 8.123 416 D HA -0.316 4.324 4.640 -0.000 0.000 0.129 416 D C 0.220 176.412 176.300 -0.181 0.000 1.103 416 D CA 0.701 54.651 54.000 -0.084 0.000 0.894 416 D CB -0.342 40.412 40.800 -0.076 0.000 1.688 416 D HN 0.831 nan 8.370 nan 0.000 0.961 417 N N -0.486 118.146 118.700 -0.113 0.000 2.828 417 N HA -0.235 4.505 4.740 -0.000 0.000 0.248 417 N C -0.255 175.221 175.510 -0.056 0.000 1.044 417 N CA 0.995 53.984 53.050 -0.102 0.000 0.851 417 N CB -1.143 37.254 38.487 -0.150 0.000 1.136 417 N HN 0.680 nan 8.380 nan 0.000 0.572 418 L N 0.684 121.907 121.223 -0.000 0.000 2.573 418 L HA 0.373 4.713 4.340 -0.000 0.000 0.260 418 L C -0.310 176.646 176.870 0.143 0.000 0.997 418 L CA -0.319 54.596 54.840 0.124 0.000 0.890 418 L CB 0.966 43.192 42.059 0.279 0.000 1.179 418 L HN -0.011 nan 8.230 nan 0.000 0.439 419 R N 3.993 124.553 120.500 0.100 0.000 2.500 419 R HA 0.849 5.189 4.340 -0.000 0.000 0.277 419 R C -1.326 175.081 176.300 0.179 0.000 1.026 419 R CA -0.491 55.623 56.100 0.023 0.000 1.058 419 R CB 1.477 31.772 30.300 -0.008 0.000 1.078 419 R HN 0.569 nan 8.270 nan 0.000 0.509 420 F N -2.734 117.220 119.950 0.007 0.000 2.714 420 F HA 0.382 4.909 4.527 -0.000 0.000 0.313 420 F C -0.545 175.260 175.800 0.008 0.000 1.104 420 F CA -1.148 56.862 58.000 0.017 0.000 1.005 420 F CB 0.179 39.202 39.000 0.038 0.000 1.268 420 F HN 0.629 nan 8.300 nan 0.000 0.449 421 T N 2.580 117.279 114.554 0.240 0.000 2.766 421 T HA 0.716 5.066 4.350 -0.000 0.000 0.295 421 T C -0.269 174.580 174.700 0.248 0.000 1.024 421 T CA -0.300 61.881 62.100 0.136 0.000 1.018 421 T CB 0.349 69.278 68.868 0.101 0.000 1.002 421 T HN 0.732 nan 8.240 nan 0.000 0.532 422 I N 0.610 121.259 120.570 0.131 0.000 2.569 422 I HA 0.336 4.506 4.170 -0.000 0.000 0.290 422 I C 0.121 176.293 176.117 0.092 0.000 1.088 422 I CA -0.792 60.600 61.300 0.153 0.000 1.047 422 I CB 2.727 40.790 38.000 0.106 0.000 1.237 422 I HN 0.688 nan 8.210 nan 0.000 0.421 423 T N 2.451 117.061 114.554 0.093 0.000 3.041 423 T HA 0.193 4.543 4.350 -0.000 0.000 0.276 423 T C 0.454 175.188 174.700 0.057 0.000 0.948 423 T CA -0.165 61.973 62.100 0.063 0.000 0.885 423 T CB 0.358 69.261 68.868 0.057 0.000 1.175 423 T HN 0.420 nan 8.240 nan 0.000 0.529 424 Q N 0.833 120.676 119.800 0.071 0.000 2.207 424 Q HA 0.661 5.001 4.340 -0.000 0.000 0.237 424 Q C -0.729 175.308 176.000 0.062 0.000 0.998 424 Q CA -0.508 55.335 55.803 0.068 0.000 0.951 424 Q CB 1.604 30.393 28.738 0.085 0.000 1.213 424 Q HN 0.301 nan 8.270 nan 0.000 0.499 425 L N 0.184 121.444 121.223 0.061 0.000 2.431 425 L HA 0.677 5.016 4.340 -0.000 0.000 0.266 425 L C -0.896 176.013 176.870 0.065 0.000 0.978 425 L CA -1.047 53.822 54.840 0.050 0.000 0.822 425 L CB 2.101 44.181 42.059 0.036 0.000 1.310 425 L HN 0.558 nan 8.230 nan 0.000 0.409 426 A N 2.101 124.955 122.820 0.056 0.000 2.288 426 A HA 0.655 4.975 4.320 -0.000 0.000 0.320 426 A C -0.406 177.206 177.584 0.047 0.000 1.217 426 A CA -0.659 51.422 52.037 0.073 0.000 0.840 426 A CB 0.585 19.629 19.000 0.074 0.000 1.179 426 A HN 0.831 nan 8.150 nan 0.000 0.504 427 N N 1.349 120.084 118.700 0.058 0.000 2.408 427 N HA 0.530 5.270 4.740 -0.000 0.000 0.260 427 N C 0.039 175.572 175.510 0.037 0.000 1.242 427 N CA 0.074 53.149 53.050 0.042 0.000 0.959 427 N CB 0.299 38.812 38.487 0.044 0.000 1.201 427 N HN 0.948 nan 8.380 nan 0.000 0.511 434 I N 2.994 123.570 120.570 0.009 0.000 2.750 434 I HA 0.757 4.927 4.170 -0.000 0.000 0.308 434 I C -0.617 175.502 176.117 0.004 0.000 1.016 434 I CA -1.233 60.073 61.300 0.009 0.000 1.098 434 I CB 1.948 39.951 38.000 0.005 0.000 1.279 434 I HN 0.684 nan 8.210 nan 0.000 0.454 435 K N 5.269 125.670 120.400 0.002 0.000 2.633 435 K HA 0.479 4.799 4.320 -0.000 0.000 0.320 435 K C -1.593 175.002 176.600 -0.009 0.000 1.312 435 K CA -0.221 56.064 56.287 -0.003 0.000 1.081 435 K CB -0.087 32.416 32.500 0.005 0.000 1.406 435 K HN 0.438 nan 8.250 nan 0.000 0.519 436 L N 1.447 122.648 121.223 -0.037 0.000 2.343 436 L HA 0.684 5.024 4.340 -0.000 0.000 0.278 436 L C 0.175 177.005 176.870 -0.067 0.000 0.996 436 L CA -0.939 53.862 54.840 -0.065 0.000 0.831 436 L CB 1.789 43.752 42.059 -0.161 0.000 1.232 436 L HN 0.772 nan 8.230 nan 0.000 0.413 437 E N 0.860 121.039 120.200 -0.035 0.000 2.289 437 E HA 0.264 4.614 4.350 -0.000 0.000 0.278 437 E C 1.045 177.620 176.600 -0.041 0.000 1.032 437 E CA 0.005 56.388 56.400 -0.029 0.000 0.854 437 E CB 1.196 30.894 29.700 -0.004 0.000 1.046 437 E HN 0.765 nan 8.360 nan 0.000 0.409 438 S N 0.455 116.125 115.700 -0.050 0.000 2.584 438 S HA -0.133 4.337 4.470 -0.000 0.000 0.240 438 S C 1.617 176.203 174.600 -0.023 0.000 0.975 438 S CA 1.006 59.172 58.200 -0.056 0.000 0.949 438 S CB -0.401 62.764 63.200 -0.058 0.000 0.761 438 S HN 0.993 nan 8.310 nan 0.000 0.536 439 S N 0.385 116.081 115.700 -0.006 0.000 2.701 439 S HA 0.170 4.640 4.470 -0.000 0.000 0.220 439 S C 1.272 175.892 174.600 0.034 0.000 0.954 439 S CA -0.352 57.853 58.200 0.009 0.000 0.936 439 S CB -0.302 62.902 63.200 0.006 0.000 0.777 439 S HN 0.670 nan 8.310 nan 0.000 0.518 440 Q N 0.249 120.082 119.800 0.055 0.000 2.317 440 Q HA 0.381 4.721 4.340 -0.000 0.000 0.220 440 Q C -0.064 176.047 176.000 0.185 0.000 0.873 440 Q CA 0.173 56.059 55.803 0.138 0.000 0.936 440 Q CB 0.393 29.261 28.738 0.217 0.000 1.105 440 Q HN 0.593 nan 8.270 nan 0.000 0.520 441 I N 3.210 123.835 120.570 0.092 0.000 2.268 441 I HA 0.172 4.342 4.170 -0.000 0.000 0.290 441 I C -0.430 175.716 176.117 0.049 0.000 1.125 441 I CA -0.261 61.088 61.300 0.081 0.000 1.236 441 I CB -0.042 37.955 38.000 -0.006 0.000 1.469 441 I HN 0.052 nan 8.210 nan 0.000 0.512 442 L N 2.486 123.744 121.223 0.059 0.000 2.235 442 L HA 0.756 5.096 4.340 -0.000 0.000 0.260 442 L C -0.026 176.860 176.870 0.026 0.000 1.025 442 L CA -0.862 53.996 54.840 0.031 0.000 0.836 442 L CB 1.440 43.513 42.059 0.024 0.000 1.395 442 L HN 0.178 nan 8.230 nan 0.000 0.443 443 S N -0.384 115.324 115.700 0.014 0.000 2.501 443 S HA 0.687 5.157 4.470 -0.000 0.000 0.301 443 S C -0.526 174.076 174.600 0.004 0.000 1.096 443 S CA -0.580 57.626 58.200 0.010 0.000 1.063 443 S CB 0.763 63.967 63.200 0.006 0.000 1.042 443 S HN 0.549 nan 8.310 nan 0.000 0.494 444 I N 3.861 124.431 120.570 -0.000 0.000 2.692 444 I HA 0.335 4.505 4.170 -0.000 0.000 0.285 444 I C -0.995 175.119 176.117 -0.006 0.000 1.191 444 I CA -0.223 61.074 61.300 -0.006 0.000 1.128 444 I CB 0.550 38.543 38.000 -0.013 0.000 1.585 444 I HN 0.565 nan 8.210 nan 0.000 0.558 445 D N 4.879 125.277 120.400 -0.003 0.000 2.855 445 D HA 0.331 4.971 4.640 -0.000 0.000 0.241 445 D C -2.052 174.246 176.300 -0.003 0.000 1.277 445 D CA -1.784 52.214 54.000 -0.003 0.000 0.918 445 D CB 2.720 43.519 40.800 -0.001 0.000 1.462 445 D HN -0.120 nan 8.370 nan 0.000 0.559 446 P HA -0.263 nan 4.420 nan 0.000 0.221 446 P C 1.521 178.819 177.300 -0.003 0.000 1.160 446 P CA 1.008 64.105 63.100 -0.004 0.000 0.933 446 P CB 0.116 31.814 31.700 -0.004 0.000 0.793 447 L N -0.382 120.840 121.223 -0.002 0.000 1.989 447 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 447 L C 1.667 178.537 176.870 -0.001 0.000 1.071 447 L CA 2.154 56.994 54.840 -0.001 0.000 0.749 447 L CB -1.543 40.516 42.059 -0.001 0.000 0.890 447 L HN -0.107 nan 8.230 nan 0.000 0.431 448 D N -0.237 120.163 120.400 -0.000 0.000 2.097 448 D HA -0.195 4.445 4.640 -0.000 0.000 0.195 448 D C 2.346 178.645 176.300 -0.000 0.000 0.989 448 D CA 1.989 55.989 54.000 0.000 0.000 0.827 448 D CB -0.218 40.582 40.800 0.001 0.000 0.966 448 D HN 0.463 nan 8.370 nan 0.000 0.456 449 I N 1.200 121.769 120.570 -0.001 0.000 2.208 449 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 449 I C 2.496 178.612 176.117 -0.002 0.000 1.097 449 I CA 1.360 62.659 61.300 -0.002 0.000 1.363 449 I CB -0.364 37.634 38.000 -0.003 0.000 1.051 449 I HN 0.018 nan 8.210 nan 0.000 0.413 450 S N 0.471 116.170 115.700 -0.002 0.000 2.419 450 S HA -0.234 4.236 4.470 -0.000 0.000 0.233 450 S C 1.861 176.460 174.600 -0.001 0.000 1.016 450 S CA 1.027 59.226 58.200 -0.002 0.000 0.974 450 S CB -0.448 62.752 63.200 -0.002 0.000 0.786 450 S HN 0.532 nan 8.310 nan 0.000 0.492 451 Q N 1.217 121.017 119.800 -0.001 0.000 2.083 451 Q HA 0.021 4.361 4.340 -0.000 0.000 0.198 451 Q C 1.911 177.910 176.000 -0.001 0.000 0.969 451 Q CA 1.269 57.071 55.803 -0.001 0.000 0.838 451 Q CB -0.301 28.437 28.738 -0.001 0.000 0.900 451 Q HN 0.558 nan 8.270 nan 0.000 0.436 452 N N 0.920 119.619 118.700 -0.001 0.000 2.244 452 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 452 N C 1.748 177.257 175.510 -0.002 0.000 1.016 452 N CA 0.721 53.770 53.050 -0.002 0.000 0.866 452 N CB -0.190 38.296 38.487 -0.001 0.000 0.980 452 N HN 0.138 nan 8.380 nan 0.000 0.430 453 L N 1.191 122.413 121.223 -0.001 0.000 2.083 453 L HA 0.015 4.355 4.340 -0.000 0.000 0.209 453 L C 2.082 178.951 176.870 -0.001 0.000 1.083 453 L CA 1.376 56.215 54.840 -0.001 0.000 0.752 453 L CB -0.859 41.199 42.059 -0.001 0.000 0.899 453 L HN 0.110 nan 8.230 nan 0.000 0.433 454 A N -0.469 122.351 122.820 -0.001 0.000 1.898 454 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 454 A C 2.456 180.040 177.584 -0.001 0.000 1.181 454 A CA 1.723 53.759 52.037 -0.001 0.000 0.620 454 A CB -1.139 17.861 19.000 -0.001 0.000 0.819 454 A HN 0.567 nan 8.150 nan 0.000 0.442 455 A N -0.503 122.316 122.820 -0.002 0.000 1.877 455 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 455 A C 2.232 179.814 177.584 -0.003 0.000 1.186 455 A CA 1.791 53.826 52.037 -0.003 0.000 0.620 455 A CB -1.016 17.982 19.000 -0.004 0.000 0.822 455 A HN 0.390 nan 8.150 nan 0.000 0.443 456 V N 0.949 120.861 119.914 -0.003 0.000 2.287 456 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 456 V C 2.471 178.563 176.094 -0.002 0.000 1.053 456 V CA 2.444 64.742 62.300 -0.003 0.000 1.027 456 V CB -1.152 30.670 31.823 -0.003 0.000 0.646 456 V HN 0.772 nan 8.190 nan 0.000 0.447 457 N N 0.482 119.181 118.700 -0.001 0.000 2.104 457 N HA -0.234 4.506 4.740 -0.000 0.000 0.190 457 N C 1.876 177.386 175.510 0.001 0.000 1.024 457 N CA 1.878 54.928 53.050 0.000 0.000 0.853 457 N CB -0.306 38.181 38.487 0.001 0.000 1.008 457 N HN 0.486 nan 8.380 nan 0.000 0.424 458 K N -0.369 120.032 120.400 0.000 0.000 2.097 458 K HA -0.010 4.310 4.320 -0.000 0.000 0.206 458 K C 1.762 178.362 176.600 -0.000 0.000 1.049 458 K CA 1.292 57.580 56.287 0.001 0.000 0.933 458 K CB -0.155 32.345 32.500 -0.000 0.000 0.717 458 K HN 0.105 nan 8.250 nan 0.000 0.442 459 S N 1.264 116.962 115.700 -0.003 0.000 2.402 459 S HA -0.112 4.358 4.470 -0.000 0.000 0.229 459 S C 1.663 176.260 174.600 -0.004 0.000 1.021 459 S CA 0.895 59.091 58.200 -0.007 0.000 0.974 459 S CB -0.195 62.998 63.200 -0.012 0.000 0.800 459 S HN 0.314 nan 8.310 nan 0.000 0.484 460 L N 1.440 122.663 121.223 -0.000 0.000 2.093 460 L HA 0.058 4.398 4.340 -0.000 0.000 0.208 460 L C 2.252 179.128 176.870 0.010 0.000 1.085 460 L CA 1.646 56.489 54.840 0.004 0.000 0.755 460 L CB -0.907 41.155 42.059 0.004 0.000 0.904 460 L HN 0.235 nan 8.230 nan 0.000 0.435 461 S N -1.074 114.632 115.700 0.009 0.000 2.423 461 S HA -0.141 4.329 4.470 -0.000 0.000 0.231 461 S C 1.593 176.205 174.600 0.020 0.000 1.014 461 S CA 1.258 59.466 58.200 0.013 0.000 0.965 461 S CB -0.354 62.852 63.200 0.010 0.000 0.785 461 S HN 0.581 nan 8.310 nan 0.000 0.495 462 D N 1.263 121.673 120.400 0.016 0.000 2.162 462 D HA 0.159 4.799 4.640 -0.000 0.000 0.203 462 D C 2.189 178.514 176.300 0.042 0.000 0.967 462 D CA 1.126 55.139 54.000 0.023 0.000 0.840 462 D CB -0.559 40.243 40.800 0.004 0.000 0.972 462 D HN 0.445 nan 8.370 nan 0.000 0.482 463 A N 0.593 123.428 122.820 0.026 0.000 1.933 463 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 463 A C 2.281 179.911 177.584 0.077 0.000 1.175 463 A CA 0.841 52.902 52.037 0.040 0.000 0.628 463 A CB -0.689 18.319 19.000 0.014 0.000 0.814 463 A HN 0.205 nan 8.150 nan 0.000 0.444 464 L N -0.996 120.258 121.223 0.052 0.000 2.156 464 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 464 L C 2.829 179.730 176.870 0.052 0.000 1.095 464 L CA 1.562 56.429 54.840 0.046 0.000 0.770 464 L CB -0.366 41.711 42.059 0.029 0.000 0.914 464 L HN 0.615 nan 8.230 nan 0.000 0.439 465 Q N -0.539 119.297 119.800 0.060 0.000 2.083 465 Q HA -0.252 4.088 4.340 -0.000 0.000 0.198 465 Q C 2.185 178.227 176.000 0.070 0.000 0.969 465 Q CA 1.424 57.258 55.803 0.053 0.000 0.838 465 Q CB 0.004 28.771 28.738 0.049 0.000 0.900 465 Q HN 0.476 nan 8.270 nan 0.000 0.436 466 H N 0.293 119.364 119.070 0.001 0.000 2.352 466 H HA -0.085 4.471 4.556 -0.000 0.000 0.299 466 H C 1.868 177.200 175.328 0.007 0.000 1.097 466 H CA 1.854 57.902 56.048 0.000 0.000 1.311 466 H CB -0.104 29.656 29.762 -0.002 0.000 1.377 466 H HN 0.232 nan 8.280 nan 0.000 0.504 467 L N -0.588 120.685 121.223 0.083 0.000 2.046 467 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 467 L C 2.766 179.633 176.870 -0.006 0.000 1.077 467 L CA 1.023 55.883 54.840 0.033 0.000 0.747 467 L CB -0.629 41.460 42.059 0.049 0.000 0.896 467 L HN 0.438 nan 8.230 nan 0.000 0.432 468 A N -0.540 122.280 122.820 0.001 0.000 1.858 468 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 468 A C 2.173 179.745 177.584 -0.020 0.000 1.190 468 A CA 1.683 53.718 52.037 -0.004 0.000 0.617 468 A CB -0.601 18.401 19.000 0.004 0.000 0.827 468 A HN 0.447 nan 8.150 nan 0.000 0.443 469 Q N -0.780 118.991 119.800 -0.049 0.000 2.045 469 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 469 Q C 2.522 178.481 176.000 -0.069 0.000 0.991 469 Q CA 1.914 57.674 55.803 -0.071 0.000 0.851 469 Q CB -0.352 28.305 28.738 -0.134 0.000 0.911 469 Q HN 0.652 nan 8.270 nan 0.000 0.418 470 S N 0.373 115.991 115.700 -0.137 0.000 2.365 470 S HA -0.223 4.247 4.470 -0.000 0.000 0.225 470 S C 1.562 176.176 174.600 0.023 0.000 1.039 470 S CA 1.606 59.758 58.200 -0.079 0.000 1.033 470 S CB -0.343 62.790 63.200 -0.111 0.000 0.887 470 S HN 0.326 nan 8.310 nan 0.000 0.447 471 D N 0.037 120.441 120.400 0.007 0.000 2.092 471 D HA -0.087 4.553 4.640 -0.000 0.000 0.193 471 D C 2.025 178.339 176.300 0.023 0.000 0.994 471 D CA 1.654 55.663 54.000 0.015 0.000 0.828 471 D CB -0.620 40.184 40.800 0.007 0.000 0.963 471 D HN 0.386 nan 8.370 nan 0.000 0.450 472 T N 0.281 114.851 114.554 0.027 0.000 2.653 472 T HA -0.250 4.100 4.350 -0.000 0.000 0.268 472 T C 1.785 176.519 174.700 0.057 0.000 1.035 472 T CA 1.359 63.479 62.100 0.033 0.000 1.154 472 T CB -0.547 68.342 68.868 0.035 0.000 0.862 472 T HN 0.215 nan 8.240 nan 0.000 0.441 473 Y N 1.463 121.737 120.300 -0.042 0.000 2.114 473 Y HA -0.051 4.499 4.550 -0.000 0.000 0.284 473 Y C 2.127 178.008 175.900 -0.031 0.000 1.143 473 Y CA 1.076 59.153 58.100 -0.038 0.000 1.135 473 Y CB -0.602 37.829 38.460 -0.048 0.000 0.980 473 Y HN 0.144 nan 8.280 nan 0.000 0.499 474 L N -1.108 120.082 121.223 -0.054 0.000 2.079 474 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 474 L C 2.690 179.476 176.870 -0.140 0.000 1.081 474 L CA 1.758 56.523 54.840 -0.126 0.000 0.752 474 L CB -0.793 41.254 42.059 -0.021 0.000 0.896 474 L HN 0.193 nan 8.230 nan 0.000 0.433 475 S N -0.788 114.859 115.700 -0.089 0.000 2.481 475 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 475 S C 1.937 176.476 174.600 -0.102 0.000 0.996 475 S CA 0.947 59.102 58.200 -0.074 0.000 0.942 475 S CB 0.077 63.253 63.200 -0.040 0.000 0.768 475 S HN 0.449 nan 8.310 nan 0.000 0.520 476 A N 1.308 124.036 122.820 -0.154 0.000 1.935 476 A HA 0.164 4.484 4.320 -0.000 0.000 0.214 476 A C 1.900 179.357 177.584 -0.213 0.000 1.178 476 A CA 0.578 52.518 52.037 -0.162 0.000 0.640 476 A CB -0.384 18.523 19.000 -0.155 0.000 0.825 476 A HN 0.511 nan 8.150 nan 0.000 0.447 477 I N 0.566 120.940 120.570 -0.327 0.000 2.226 477 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 477 I C 2.395 178.412 176.117 -0.165 0.000 1.100 477 I CA 1.838 62.966 61.300 -0.288 0.000 1.374 477 I CB -1.386 36.405 38.000 -0.348 0.000 1.057 477 I HN 0.612 nan 8.210 nan 0.000 0.413 478 E N 0.802 120.920 120.200 -0.137 0.000 2.118 478 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 478 E C 1.617 178.169 176.600 -0.079 0.000 0.992 478 E CA 1.571 57.917 56.400 -0.090 0.000 0.804 478 E CB 0.078 29.736 29.700 -0.070 0.000 0.741 478 E HN 0.430 nan 8.360 nan 0.000 0.458 479 D N -0.304 120.045 120.400 -0.085 0.000 2.137 479 D HA -0.110 4.530 4.640 -0.000 0.000 0.202 479 D C 2.167 178.420 176.300 -0.078 0.000 0.970 479 D CA 1.816 55.773 54.000 -0.071 0.000 0.837 479 D CB -0.056 40.706 40.800 -0.063 0.000 0.981 479 D HN 0.258 nan 8.370 nan 0.000 0.475 480 K N 1.390 121.735 120.400 -0.091 0.000 2.097 480 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 480 K C 1.994 178.540 176.600 -0.091 0.000 1.050 480 K CA 0.598 56.832 56.287 -0.088 0.000 0.938 480 K CB -0.864 31.581 32.500 -0.092 0.000 0.718 480 K HN 0.067 nan 8.250 nan 0.000 0.442 481 I N 1.706 122.222 120.570 -0.090 0.000 2.335 481 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 481 I C 2.168 178.229 176.117 -0.094 0.000 1.129 481 I CA 1.342 62.591 61.300 -0.084 0.000 1.402 481 I CB -0.772 37.186 38.000 -0.070 0.000 1.069 481 I HN 0.406 nan 8.210 nan 0.000 0.424 482 E N 0.884 121.033 120.200 -0.086 0.000 2.028 482 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 482 E C 2.078 178.600 176.600 -0.130 0.000 0.988 482 E CA 1.074 57.421 56.400 -0.088 0.000 0.799 482 E CB -0.253 29.411 29.700 -0.059 0.000 0.755 482 E HN 0.546 nan 8.360 nan 0.000 0.447 483 E N 0.623 120.753 120.200 -0.118 0.000 2.058 483 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 483 E C 2.295 178.788 176.600 -0.180 0.000 0.997 483 E CA 0.868 57.186 56.400 -0.137 0.000 0.801 483 E CB -0.224 29.413 29.700 -0.104 0.000 0.746 483 E HN 0.209 nan 8.360 nan 0.000 0.450 484 I N 1.030 121.507 120.570 -0.155 0.000 2.194 484 I HA -0.315 3.855 4.170 -0.000 0.000 0.246 484 I C 2.305 178.277 176.117 -0.241 0.000 1.093 484 I CA 1.083 62.287 61.300 -0.160 0.000 1.355 484 I CB -0.223 37.708 38.000 -0.114 0.000 1.046 484 I HN 0.156 nan 8.210 nan 0.000 0.413 485 L N -0.333 120.712 121.223 -0.298 0.000 2.056 485 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 485 L C 2.646 178.932 176.870 -0.974 0.000 1.078 485 L CA 1.215 55.732 54.840 -0.538 0.000 0.749 485 L CB -0.595 41.217 42.059 -0.412 0.000 0.901 485 L HN 0.173 nan 8.230 nan 0.000 0.433 486 S N -0.224 115.082 115.700 -0.657 0.000 2.419 486 S HA -0.187 4.283 4.470 -0.000 0.000 0.235 486 S C 1.910 176.198 174.600 -0.520 0.000 1.019 486 S CA 1.306 59.177 58.200 -0.549 0.000 0.982 486 S CB -0.109 62.910 63.200 -0.302 0.000 0.789 486 S HN 0.377 nan 8.310 nan 0.000 0.490 487 K N 0.578 120.737 120.400 -0.402 0.000 2.098 487 K HA 0.141 4.461 4.320 -0.000 0.000 0.203 487 K C 1.858 178.369 176.600 -0.147 0.000 1.051 487 K CA 0.642 56.767 56.287 -0.270 0.000 0.957 487 K CB -0.116 32.274 32.500 -0.182 0.000 0.738 487 K HN 0.220 nan 8.250 nan 0.000 0.447 488 I N 0.922 121.377 120.570 -0.191 0.000 2.208 488 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 488 I C 2.087 178.269 176.117 0.108 0.000 1.097 488 I CA 1.771 63.036 61.300 -0.059 0.000 1.363 488 I CB -1.170 36.784 38.000 -0.075 0.000 1.051 488 I HN 0.243 nan 8.210 nan 0.000 0.413 489 Y N 0.702 121.037 120.300 0.059 0.000 2.070 489 Y HA -0.291 4.259 4.550 -0.000 0.000 0.280 489 Y C 2.930 178.932 175.900 0.170 0.000 1.148 489 Y CA 1.363 59.530 58.100 0.112 0.000 1.125 489 Y CB -0.803 37.751 38.460 0.156 0.000 0.975 489 Y HN 0.279 nan 8.280 nan 0.000 0.492 490 H N -0.188 118.977 119.070 0.157 0.000 2.353 490 H HA -0.197 4.359 4.556 -0.000 0.000 0.298 490 H C 2.318 177.679 175.328 0.055 0.000 1.103 490 H CA 1.435 57.532 56.048 0.082 0.000 1.293 490 H CB -0.159 29.630 29.762 0.046 0.000 1.372 490 H HN 0.377 nan 8.280 nan 0.000 0.501 491 I N 0.750 121.425 120.570 0.175 0.000 2.202 491 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 491 I C 2.652 178.821 176.117 0.087 0.000 1.091 491 I CA 1.146 62.505 61.300 0.097 0.000 1.368 491 I CB -0.229 37.806 38.000 0.059 0.000 1.058 491 I HN 0.325 nan 8.210 nan 0.000 0.410 492 E N 0.989 121.255 120.200 0.110 0.000 2.058 492 E HA -0.304 4.046 4.350 -0.000 0.000 0.194 492 E C 1.886 178.525 176.600 0.066 0.000 0.997 492 E CA 1.829 58.283 56.400 0.091 0.000 0.801 492 E CB -0.051 29.725 29.700 0.126 0.000 0.746 492 E HN 0.345 nan 8.360 nan 0.000 0.450 493 N N 0.405 119.149 118.700 0.073 0.000 2.188 493 N HA -0.196 4.544 4.740 -0.000 0.000 0.184 493 N C 1.671 177.192 175.510 0.018 0.000 1.018 493 N CA 1.398 54.465 53.050 0.029 0.000 0.858 493 N CB -0.025 38.464 38.487 0.005 0.000 0.989 493 N HN 0.033 nan 8.380 nan 0.000 0.426 494 E N -0.285 119.933 120.200 0.031 0.000 2.204 494 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 494 E C 1.334 177.946 176.600 0.021 0.000 0.989 494 E CA 0.708 57.121 56.400 0.023 0.000 0.824 494 E CB -0.126 29.596 29.700 0.036 0.000 0.756 494 E HN 0.375 nan 8.360 nan 0.000 0.477 495 I N 0.018 120.604 120.570 0.027 0.000 3.059 495 I HA 0.053 4.223 4.170 -0.000 0.000 0.270 495 I C 1.955 178.081 176.117 0.015 0.000 1.238 495 I CA 0.812 62.125 61.300 0.021 0.000 1.478 495 I CB -1.257 36.758 38.000 0.025 0.000 1.097 495 I HN 0.102 nan 8.210 nan 0.000 0.455 496 A N 0.792 123.621 122.820 0.014 0.000 1.930 496 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 496 A C 2.450 180.036 177.584 0.003 0.000 1.176 496 A CA 0.726 52.768 52.037 0.007 0.000 0.632 496 A CB -0.235 18.768 19.000 0.004 0.000 0.819 496 A HN 0.238 nan 8.150 nan 0.000 0.445 497 R N -0.460 120.041 120.500 0.002 0.000 2.062 497 R HA 0.092 4.432 4.340 -0.000 0.000 0.229 497 R C 1.907 178.207 176.300 0.001 0.000 1.128 497 R CA 1.333 57.432 56.100 -0.001 0.000 0.960 497 R CB -0.472 29.826 30.300 -0.004 0.000 0.855 497 R HN 0.505 nan 8.270 nan 0.000 0.432 498 I N 1.054 121.627 120.570 0.004 0.000 2.567 498 I HA -0.232 3.938 4.170 -0.000 0.000 0.257 498 I C 2.256 178.375 176.117 0.004 0.000 1.184 498 I CA 1.181 62.484 61.300 0.005 0.000 1.451 498 I CB -0.131 37.874 38.000 0.008 0.000 1.089 498 I HN 0.108 nan 8.210 nan 0.000 0.441 499 K N 1.246 121.649 120.400 0.005 0.000 2.444 499 K HA -0.061 4.259 4.320 -0.000 0.000 0.193 499 K C 1.638 178.240 176.600 0.002 0.000 1.024 499 K CA 0.289 56.579 56.287 0.004 0.000 1.077 499 K CB 0.195 32.698 32.500 0.005 0.000 0.833 499 K HN 0.085 nan 8.250 nan 0.000 0.517 500 K N 0.795 121.195 120.400 0.001 0.000 2.397 500 K HA 0.138 4.458 4.320 -0.000 0.000 0.202 500 K C 0.511 177.111 176.600 -0.001 0.000 1.022 500 K CA 0.003 56.290 56.287 -0.001 0.000 1.141 500 K CB 0.451 32.949 32.500 -0.002 0.000 0.857 500 K HN 0.147 nan 8.250 nan 0.000 0.514 501 L N 0.850 122.073 121.223 0.000 0.000 2.906 501 L HA 0.245 4.585 4.340 -0.000 0.000 0.255 501 L C 0.658 177.529 176.870 0.001 0.000 1.166 501 L CA -0.099 54.741 54.840 0.000 0.000 0.977 501 L CB 0.572 42.631 42.059 0.001 0.000 1.313 501 L HN 0.151 nan 8.230 nan 0.000 0.549 502 I N -1.651 118.919 120.570 0.001 0.000 5.242 502 I HA 0.209 4.379 4.170 -0.000 0.000 0.360 502 I C 1.141 177.258 176.117 0.001 0.000 1.201 502 I CA 0.404 61.705 61.300 0.001 0.000 1.527 502 I CB 0.076 38.078 38.000 0.002 0.000 1.769 502 I HN 0.065 nan 8.210 nan 0.000 0.603 503 G N 0.753 109.554 108.800 0.001 0.000 2.890 503 G HA2 0.575 4.535 3.960 -0.000 0.000 0.189 503 G HA3 0.575 4.535 3.960 -0.000 0.000 0.189 503 G C 0.019 174.919 174.900 -0.000 0.000 1.342 503 G CA 0.601 45.701 45.100 0.001 0.000 1.026 503 G HN 0.212 nan 8.290 nan 0.000 0.579 504 E N 0.000 120.200 120.200 -0.000 0.000 2.725 504 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 504 E CA 0.000 56.399 56.400 -0.001 0.000 0.976 504 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 504 E HN 0.000 nan 8.360 nan 0.000 0.440