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 1hy1_1_A DATA FIRST_RESID 17 DATA SEQUENCE TDPIMEKLNS SIAYDQRLSE VDIQGSMAYA KALEKAGILT KTELEKILSG DATA SEQUENCE LEKISEEWSK GVFVVKQSDE DIHTANERRL KELIGDIAGK LHTGRSRNDQ DATA SEQUENCE VVTDLKLFMK NSLSIISTHL LQLIKTLVER AAIEIDVILP GYTHLQKAQP DATA SEQUENCE IRWSQFLLSH AVALTRDSER LGEVKKRINV LPLGSGALAG NPLDIDREML DATA SEQUENCE RSELEFASIS LNSMDAISER DFVVEFLSFA TLLMIHLSKM AEDLIIYSTS DATA SEQUENCE EFGFLTLSDA FSTGSSLMPQ KKNPDSLELI RSKAGRVFGR LASILMVLKG DATA SEQUENCE LPSTYNKDLQ EDKEAVFDVV DTLTAVLQVA TGVISTLQIS KENMEKALTP DATA SEQUENCE EMLATDLALY LVRKGVPFRQ AHTASGKAVH LAETKGITIN KLSLEDLKSI DATA SEQUENCE SPQFSSDVSQ VFNFVNSVEQ YTALAGTAKS SVTTQIEQLR ELMKKQKE 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 17 T HA 0.000 nan 4.350 nan 0.000 0.228 17 T C 0.000 174.705 174.700 0.009 0.000 1.109 17 T CA 0.000 62.105 62.100 0.009 0.000 1.349 17 T CB 0.000 68.874 68.868 0.010 0.000 0.612 18 D N 4.982 125.387 120.400 0.009 0.000 2.400 18 D HA 0.295 4.935 4.640 0.000 0.000 0.238 18 D C -0.666 175.640 176.300 0.010 0.000 1.157 18 D CA -1.269 52.736 54.000 0.008 0.000 0.889 18 D CB 1.199 42.003 40.800 0.008 0.000 1.199 18 D HN 0.285 nan 8.370 nan 0.000 0.436 19 P HA -0.105 nan 4.420 nan 0.000 0.214 19 P C 1.648 178.956 177.300 0.012 0.000 1.162 19 P CA 1.077 64.183 63.100 0.010 0.000 0.874 19 P CB 0.182 31.888 31.700 0.009 0.000 0.784 20 I N -0.687 119.890 120.570 0.011 0.000 2.226 20 I HA -0.202 3.969 4.170 0.000 0.000 0.245 20 I C 2.942 179.068 176.117 0.015 0.000 1.100 20 I CA 1.384 62.692 61.300 0.013 0.000 1.374 20 I CB -0.517 37.489 38.000 0.011 0.000 1.057 20 I HN -0.104 nan 8.210 nan 0.000 0.413 21 M N 0.610 120.218 119.600 0.013 0.000 2.117 21 M HA -0.254 4.226 4.480 0.000 0.000 0.262 21 M C 2.292 178.603 176.300 0.017 0.000 1.065 21 M CA 1.845 57.154 55.300 0.015 0.000 1.114 21 M CB -0.226 32.382 32.600 0.012 0.000 1.361 21 M HN 0.184 nan 8.290 nan 0.000 0.408 22 E N 0.204 120.414 120.200 0.016 0.000 2.118 22 E HA -0.283 4.067 4.350 0.000 0.000 0.195 22 E C 1.762 178.372 176.600 0.017 0.000 0.992 22 E CA 1.307 57.717 56.400 0.016 0.000 0.804 22 E CB 0.046 29.754 29.700 0.013 0.000 0.741 22 E HN 0.234 nan 8.360 nan 0.000 0.458 23 K N 0.446 120.857 120.400 0.018 0.000 2.288 23 K HA -0.021 4.299 4.320 0.000 0.000 0.201 23 K C 1.867 178.485 176.600 0.030 0.000 1.048 23 K CA 0.649 56.948 56.287 0.021 0.000 0.956 23 K CB -0.077 32.436 32.500 0.022 0.000 0.746 23 K HN 0.188 nan 8.250 nan 0.000 0.461 24 L N 0.040 121.282 121.223 0.032 0.000 2.162 24 L HA -0.054 4.286 4.340 0.000 0.000 0.205 24 L C 1.658 178.557 176.870 0.049 0.000 1.086 24 L CA 0.655 55.520 54.840 0.043 0.000 0.778 24 L CB -0.352 41.726 42.059 0.032 0.000 0.928 24 L HN 0.173 nan 8.230 nan 0.000 0.446 25 N N -0.106 118.616 118.700 0.036 0.000 2.309 25 N HA -0.112 4.628 4.740 0.000 0.000 0.182 25 N C 1.041 176.567 175.510 0.026 0.000 1.018 25 N CA 0.529 53.602 53.050 0.038 0.000 0.876 25 N CB -0.099 38.407 38.487 0.031 0.000 0.972 25 N HN 0.078 nan 8.380 nan 0.000 0.434 26 S N 0.886 116.591 115.700 0.008 0.000 2.507 26 S HA 0.066 4.536 4.470 0.000 0.000 0.299 26 S C 1.264 175.791 174.600 -0.122 0.000 1.214 26 S CA -0.316 57.864 58.200 -0.035 0.000 1.137 26 S CB 0.184 63.368 63.200 -0.026 0.000 1.009 26 S HN 0.332 nan 8.310 nan 0.000 0.512 27 S N 4.972 120.552 115.700 -0.198 0.000 2.503 27 S HA 0.011 4.481 4.470 0.000 0.000 0.215 27 S C 1.564 175.756 174.600 -0.680 0.000 1.003 27 S CA 0.031 57.899 58.200 -0.554 0.000 0.910 27 S CB -0.470 62.591 63.200 -0.231 0.000 0.790 27 S HN 0.714 nan 8.310 nan 0.000 0.514 28 I N 3.205 123.591 120.570 -0.307 0.000 2.381 28 I HA -0.165 4.005 4.170 0.000 0.000 0.255 28 I C 2.312 178.303 176.117 -0.209 0.000 1.140 28 I CA 0.815 61.998 61.300 -0.196 0.000 1.404 28 I CB -0.790 37.169 38.000 -0.068 0.000 1.075 28 I HN 0.382 nan 8.210 nan 0.000 0.433 29 A N -0.428 122.221 122.820 -0.285 0.000 2.015 29 A HA -0.163 4.157 4.320 0.000 0.000 0.219 29 A C 1.800 179.350 177.584 -0.056 0.000 1.163 29 A CA 1.974 53.928 52.037 -0.138 0.000 0.646 29 A CB -0.773 18.193 19.000 -0.056 0.000 0.806 29 A HN 0.741 nan 8.150 nan 0.000 0.448 30 Y N -2.511 117.826 120.300 0.061 0.000 2.459 30 Y HA 0.237 4.787 4.550 0.000 0.000 0.271 30 Y C 0.705 176.687 175.900 0.136 0.000 1.063 30 Y CA -0.565 57.594 58.100 0.097 0.000 1.216 30 Y CB -0.392 38.150 38.460 0.136 0.000 1.335 30 Y HN 0.240 nan 8.280 nan 0.000 0.550 31 D N 1.046 121.457 120.400 0.017 0.000 2.324 31 D HA -0.065 4.575 4.640 0.000 0.000 0.235 31 D C 1.011 177.226 176.300 -0.142 0.000 1.095 31 D CA 0.278 54.340 54.000 0.104 0.000 0.871 31 D CB -0.064 40.726 40.800 -0.017 0.000 0.906 31 D HN 0.575 nan 8.370 nan 0.000 0.522 32 Q N 0.194 119.880 119.800 -0.190 0.000 2.224 32 Q HA -0.104 4.236 4.340 0.000 0.000 0.203 32 Q C 1.994 177.694 176.000 -0.500 0.000 0.970 32 Q CA 1.044 56.620 55.803 -0.378 0.000 0.865 32 Q CB -0.168 28.456 28.738 -0.189 0.000 0.922 32 Q HN 0.501 nan 8.270 nan 0.000 0.445 33 R N 0.389 120.648 120.500 -0.401 0.000 2.328 33 R HA -0.050 4.290 4.340 0.000 0.000 0.207 33 R C 1.310 177.365 176.300 -0.408 0.000 1.056 33 R CA 0.769 56.617 56.100 -0.420 0.000 1.016 33 R CB -0.222 29.769 30.300 -0.516 0.000 0.872 33 R HN 0.205 nan 8.270 nan 0.000 0.471 34 L N 1.708 122.681 121.223 -0.417 0.000 2.592 34 L HA 0.076 4.416 4.340 0.000 0.000 0.227 34 L C 1.989 178.618 176.870 -0.402 0.000 1.127 34 L CA 0.329 54.985 54.840 -0.306 0.000 0.884 34 L CB -0.090 41.844 42.059 -0.208 0.000 1.065 34 L HN 0.351 nan 8.230 nan 0.000 0.457 35 S N 0.323 115.628 115.700 -0.657 0.000 2.369 35 S HA -0.302 4.168 4.470 0.000 0.000 0.225 35 S C 1.816 176.103 174.600 -0.522 0.000 1.043 35 S CA 1.706 59.354 58.200 -0.920 0.000 1.074 35 S CB -0.309 61.732 63.200 -1.932 0.000 0.962 35 S HN 0.422 nan 8.310 nan 0.000 0.433 36 E N 1.554 121.541 120.200 -0.356 0.000 2.051 36 E HA -0.122 4.228 4.350 0.000 0.000 0.192 36 E C 2.172 178.714 176.600 -0.096 0.000 0.991 36 E CA 1.691 57.996 56.400 -0.158 0.000 0.799 36 E CB -0.626 29.020 29.700 -0.090 0.000 0.748 36 E HN 0.603 nan 8.360 nan 0.000 0.449 37 V N -0.697 119.168 119.914 -0.082 0.000 2.515 37 V HA -0.153 3.967 4.120 0.000 0.000 0.250 37 V C 2.030 178.111 176.094 -0.021 0.000 1.058 37 V CA 2.262 64.549 62.300 -0.020 0.000 1.064 37 V CB -0.712 31.132 31.823 0.036 0.000 0.675 37 V HN 0.200 nan 8.190 nan 0.000 0.461 38 D N 0.549 120.895 120.400 -0.090 0.000 2.144 38 D HA -0.125 4.515 4.640 0.000 0.000 0.200 38 D C 1.893 178.178 176.300 -0.025 0.000 0.978 38 D CA 1.961 55.917 54.000 -0.074 0.000 0.833 38 D CB -0.290 40.376 40.800 -0.224 0.000 0.961 38 D HN 0.552 nan 8.370 nan 0.000 0.470 39 I N 0.052 120.595 120.570 -0.045 0.000 2.252 39 I HA -0.213 3.957 4.170 0.000 0.000 0.245 39 I C 2.344 178.484 176.117 0.038 0.000 1.102 39 I CA 0.688 61.996 61.300 0.013 0.000 1.385 39 I CB -0.241 37.773 38.000 0.022 0.000 1.064 39 I HN 0.083 nan 8.210 nan 0.000 0.414 40 Q N 0.630 120.446 119.800 0.025 0.000 2.084 40 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 40 Q C 2.324 178.365 176.000 0.069 0.000 0.978 40 Q CA 1.821 57.649 55.803 0.041 0.000 0.844 40 Q CB -0.842 27.910 28.738 0.025 0.000 0.898 40 Q HN 0.596 nan 8.270 nan 0.000 0.426 41 G N 0.315 109.159 108.800 0.073 0.000 2.446 41 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 41 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 41 G C 1.682 176.651 174.900 0.116 0.000 1.168 41 G CA 1.148 46.306 45.100 0.097 0.000 0.771 41 G HN 0.364 nan 8.290 nan 0.000 0.551 42 S N 0.550 116.312 115.700 0.104 0.000 2.370 42 S HA -0.108 4.363 4.470 0.000 0.000 0.226 42 S C 2.411 177.104 174.600 0.156 0.000 1.033 42 S CA 1.506 59.790 58.200 0.139 0.000 1.011 42 S CB -0.278 62.990 63.200 0.113 0.000 0.852 42 S HN 0.369 nan 8.310 nan 0.000 0.457 43 M N 1.216 120.883 119.600 0.113 0.000 2.086 43 M HA -0.125 4.355 4.480 0.000 0.000 0.261 43 M C 2.587 178.945 176.300 0.096 0.000 1.067 43 M CA 1.578 56.934 55.300 0.093 0.000 1.116 43 M CB -0.694 31.948 32.600 0.070 0.000 1.348 43 M HN 0.413 nan 8.290 nan 0.000 0.407 44 A N -0.391 122.495 122.820 0.110 0.000 1.877 44 A HA -0.215 4.105 4.320 0.000 0.000 0.216 44 A C 2.023 179.679 177.584 0.120 0.000 1.186 44 A CA 1.482 53.581 52.037 0.105 0.000 0.620 44 A CB -1.145 17.927 19.000 0.120 0.000 0.822 44 A HN 0.515 nan 8.150 nan 0.000 0.443 45 Y N 0.599 120.918 120.300 0.032 0.000 2.097 45 Y HA -0.185 4.365 4.550 0.001 0.000 0.282 45 Y C 2.795 178.708 175.900 0.022 0.000 1.152 45 Y CA 1.383 59.496 58.100 0.023 0.000 1.136 45 Y CB -0.722 37.754 38.460 0.028 0.000 0.975 45 Y HN 0.323 nan 8.280 nan 0.000 0.498 46 A N 0.164 123.047 122.820 0.105 0.000 1.948 46 A HA -0.274 4.046 4.320 0.000 0.000 0.220 46 A C 2.244 179.803 177.584 -0.042 0.000 1.177 46 A CA 2.232 54.283 52.037 0.024 0.000 0.636 46 A CB -0.623 18.420 19.000 0.072 0.000 0.815 46 A HN 0.550 nan 8.150 nan 0.000 0.449 47 K N -0.624 119.765 120.400 -0.019 0.000 2.057 47 K HA -0.040 4.281 4.320 0.000 0.000 0.206 47 K C 2.306 178.862 176.600 -0.074 0.000 1.050 47 K CA 1.125 57.394 56.287 -0.029 0.000 0.935 47 K CB -0.310 32.189 32.500 -0.001 0.000 0.715 47 K HN 0.453 nan 8.250 nan 0.000 0.439 48 A N 1.322 124.069 122.820 -0.122 0.000 1.969 48 A HA -0.070 4.250 4.320 0.000 0.000 0.218 48 A C 2.081 179.532 177.584 -0.223 0.000 1.169 48 A CA 1.003 52.942 52.037 -0.164 0.000 0.635 48 A CB -0.475 18.412 19.000 -0.190 0.000 0.810 48 A HN 0.139 nan 8.150 nan 0.000 0.445 49 L N -0.716 120.324 121.223 -0.305 0.000 2.093 49 L HA -0.140 4.200 4.340 0.000 0.000 0.208 49 L C 2.709 179.500 176.870 -0.131 0.000 1.085 49 L CA 1.394 56.078 54.840 -0.260 0.000 0.755 49 L CB -0.365 41.535 42.059 -0.265 0.000 0.904 49 L HN 0.436 nan 8.230 nan 0.000 0.435 50 E N 1.045 121.188 120.200 -0.095 0.000 2.106 50 E HA -0.258 4.092 4.350 0.000 0.000 0.192 50 E C 2.050 178.619 176.600 -0.052 0.000 0.984 50 E CA 1.240 57.607 56.400 -0.055 0.000 0.806 50 E CB 0.110 29.789 29.700 -0.036 0.000 0.750 50 E HN 0.347 nan 8.360 nan 0.000 0.458 51 K N -0.263 120.100 120.400 -0.061 0.000 2.283 51 K HA -0.021 4.300 4.320 0.000 0.000 0.202 51 K C 1.663 178.232 176.600 -0.052 0.000 1.048 51 K CA 0.957 57.215 56.287 -0.050 0.000 0.948 51 K CB -0.012 32.458 32.500 -0.050 0.000 0.742 51 K HN 0.073 nan 8.250 nan 0.000 0.458 52 A N -0.249 122.529 122.820 -0.069 0.000 2.195 52 A HA 0.239 4.560 4.320 0.000 0.000 0.210 52 A C 1.324 178.880 177.584 -0.048 0.000 1.165 52 A CA 0.721 52.721 52.037 -0.063 0.000 0.806 52 A CB -0.037 18.911 19.000 -0.086 0.000 0.847 52 A HN 0.473 nan 8.150 nan 0.000 0.482 53 G N -1.183 107.591 108.800 -0.044 0.000 2.157 53 G HA2 -0.229 3.731 3.960 0.000 0.000 0.239 53 G HA3 -0.229 3.731 3.960 0.000 0.000 0.239 53 G C 0.575 175.458 174.900 -0.029 0.000 0.982 53 G CA 0.447 45.529 45.100 -0.031 0.000 0.650 53 G HN 0.320 nan 8.290 nan 0.000 0.527 54 I N 0.253 120.799 120.570 -0.040 0.000 2.617 54 I HA 0.321 4.491 4.170 0.000 0.000 0.256 54 I C 1.418 177.524 176.117 -0.019 0.000 1.167 54 I CA 0.962 62.244 61.300 -0.030 0.000 1.469 54 I CB -0.052 37.923 38.000 -0.043 0.000 1.098 54 I HN 0.279 nan 8.210 nan 0.000 0.436 55 L N -0.578 120.629 121.223 -0.026 0.000 2.341 55 L HA 0.432 4.772 4.340 0.000 0.000 0.267 55 L C 0.319 177.182 176.870 -0.013 0.000 1.009 55 L CA -0.779 54.053 54.840 -0.013 0.000 0.819 55 L CB 1.925 43.976 42.059 -0.014 0.000 1.323 55 L HN 0.025 nan 8.230 nan 0.000 0.425 56 T N -2.469 112.082 114.554 -0.005 0.000 2.881 56 T HA 0.240 4.590 4.350 0.000 0.000 0.278 56 T C 0.818 175.516 174.700 -0.003 0.000 0.982 56 T CA -0.622 61.475 62.100 -0.004 0.000 0.989 56 T CB 1.865 70.733 68.868 -0.001 0.000 1.058 56 T HN 0.489 nan 8.240 nan 0.000 0.529 57 K N 0.591 120.989 120.400 -0.003 0.000 2.009 57 K HA -0.081 4.239 4.320 0.000 0.000 0.210 57 K C 2.362 178.964 176.600 0.002 0.000 1.049 57 K CA 2.217 58.503 56.287 -0.002 0.000 0.929 57 K CB -1.227 31.272 32.500 -0.002 0.000 0.714 57 K HN 0.779 nan 8.250 nan 0.000 0.440 58 T N 0.690 115.246 114.554 0.003 0.000 2.746 58 T HA -0.124 4.226 4.350 0.000 0.000 0.267 58 T C 1.538 176.244 174.700 0.009 0.000 1.039 58 T CA 1.622 63.725 62.100 0.006 0.000 1.142 58 T CB -0.238 68.634 68.868 0.006 0.000 0.866 58 T HN 0.377 nan 8.240 nan 0.000 0.444 59 E N 0.461 120.667 120.200 0.009 0.000 2.058 59 E HA -0.118 4.232 4.350 0.000 0.000 0.194 59 E C 2.138 178.749 176.600 0.017 0.000 0.997 59 E CA 0.860 57.269 56.400 0.014 0.000 0.801 59 E CB -0.284 29.424 29.700 0.013 0.000 0.746 59 E HN 0.224 nan 8.360 nan 0.000 0.450 60 L N 1.706 122.937 121.223 0.012 0.000 2.013 60 L HA -0.249 4.091 4.340 0.000 0.000 0.212 60 L C 1.906 178.788 176.870 0.020 0.000 1.073 60 L CA 1.922 56.770 54.840 0.015 0.000 0.753 60 L CB -0.276 41.786 42.059 0.006 0.000 0.890 60 L HN 0.067 nan 8.230 nan 0.000 0.432 61 E N -0.759 119.451 120.200 0.016 0.000 2.058 61 E HA -0.238 4.113 4.350 0.000 0.000 0.194 61 E C 2.106 178.719 176.600 0.021 0.000 0.997 61 E CA 1.397 57.807 56.400 0.017 0.000 0.801 61 E CB -0.089 29.619 29.700 0.013 0.000 0.746 61 E HN 0.386 nan 8.360 nan 0.000 0.450 62 K N 0.563 120.976 120.400 0.021 0.000 2.032 62 K HA -0.146 4.174 4.320 0.000 0.000 0.209 62 K C 2.214 178.833 176.600 0.032 0.000 1.048 62 K CA 1.091 57.392 56.287 0.024 0.000 0.927 62 K CB -0.473 32.040 32.500 0.022 0.000 0.712 62 K HN 0.233 nan 8.250 nan 0.000 0.441 63 I N 1.255 121.847 120.570 0.036 0.000 2.142 63 I HA -0.290 3.880 4.170 0.000 0.000 0.240 63 I C 2.457 178.605 176.117 0.053 0.000 1.078 63 I CA 1.115 62.444 61.300 0.049 0.000 1.343 63 I CB -0.400 37.632 38.000 0.053 0.000 1.046 63 I HN 0.038 nan 8.210 nan 0.000 0.405 64 L N -0.052 121.198 121.223 0.046 0.000 2.013 64 L HA -0.278 4.062 4.340 0.000 0.000 0.212 64 L C 2.795 179.692 176.870 0.046 0.000 1.073 64 L CA 1.810 56.677 54.840 0.046 0.000 0.753 64 L CB -0.782 41.298 42.059 0.036 0.000 0.890 64 L HN 0.310 nan 8.230 nan 0.000 0.432 65 S N 0.083 115.806 115.700 0.038 0.000 2.359 65 S HA -0.159 4.311 4.470 0.000 0.000 0.224 65 S C 2.012 176.638 174.600 0.044 0.000 1.035 65 S CA 1.514 59.735 58.200 0.036 0.000 1.018 65 S CB -0.529 62.688 63.200 0.027 0.000 0.876 65 S HN 0.523 nan 8.310 nan 0.000 0.448 66 G N 1.568 110.396 108.800 0.047 0.000 2.446 66 G HA2 -0.124 3.836 3.960 0.000 0.000 0.217 66 G HA3 -0.124 3.836 3.960 0.000 0.000 0.217 66 G C 1.458 176.404 174.900 0.077 0.000 1.168 66 G CA 0.988 46.121 45.100 0.055 0.000 0.771 66 G HN 0.528 nan 8.290 nan 0.000 0.551 67 L N -0.061 121.211 121.223 0.081 0.000 2.131 67 L HA -0.053 4.288 4.340 0.000 0.000 0.210 67 L C 2.834 179.764 176.870 0.100 0.000 1.092 67 L CA 1.151 56.050 54.840 0.099 0.000 0.759 67 L CB -0.341 41.771 42.059 0.089 0.000 0.903 67 L HN 0.298 nan 8.230 nan 0.000 0.435 68 E N 0.126 120.373 120.200 0.078 0.000 2.072 68 E HA -0.205 4.146 4.350 0.000 0.000 0.191 68 E C 2.188 178.837 176.600 0.081 0.000 0.985 68 E CA 1.028 57.471 56.400 0.072 0.000 0.801 68 E CB 0.140 29.872 29.700 0.052 0.000 0.750 68 E HN 0.411 nan 8.360 nan 0.000 0.452 69 K N 0.321 120.765 120.400 0.073 0.000 2.097 69 K HA -0.109 4.211 4.320 0.000 0.000 0.206 69 K C 2.116 178.775 176.600 0.098 0.000 1.049 69 K CA 0.963 57.289 56.287 0.065 0.000 0.933 69 K CB -0.086 32.439 32.500 0.042 0.000 0.717 69 K HN 0.149 nan 8.250 nan 0.000 0.442 70 I N 0.783 121.437 120.570 0.141 0.000 2.226 70 I HA -0.292 3.878 4.170 0.000 0.000 0.245 70 I C 2.639 178.945 176.117 0.314 0.000 1.100 70 I CA 0.952 62.397 61.300 0.240 0.000 1.374 70 I CB -0.283 37.896 38.000 0.298 0.000 1.057 70 I HN 0.162 nan 8.210 nan 0.000 0.413 71 S N 0.353 116.200 115.700 0.245 0.000 2.370 71 S HA -0.210 4.260 4.470 0.000 0.000 0.226 71 S C 2.007 176.739 174.600 0.220 0.000 1.033 71 S CA 1.439 59.782 58.200 0.238 0.000 1.011 71 S CB -0.172 63.109 63.200 0.134 0.000 0.852 71 S HN 0.343 nan 8.310 nan 0.000 0.457 72 E N 1.128 121.418 120.200 0.150 0.000 2.077 72 E HA -0.111 4.240 4.350 0.000 0.000 0.193 72 E C 2.099 178.764 176.600 0.109 0.000 0.989 72 E CA 1.069 57.534 56.400 0.109 0.000 0.800 72 E CB -0.453 29.288 29.700 0.067 0.000 0.746 72 E HN 0.708 nan 8.360 nan 0.000 0.452 73 E N -0.473 119.786 120.200 0.097 0.000 2.118 73 E HA -0.204 4.146 4.350 0.000 0.000 0.195 73 E C 2.002 178.621 176.600 0.033 0.000 0.992 73 E CA 1.108 57.520 56.400 0.020 0.000 0.804 73 E CB -0.237 29.443 29.700 -0.034 0.000 0.741 73 E HN 0.370 nan 8.360 nan 0.000 0.458 74 W N 0.852 122.240 121.300 0.147 0.000 2.441 74 W HA -0.146 4.514 4.660 -0.000 0.000 0.302 74 W C 3.037 179.578 176.519 0.036 0.000 1.191 74 W CA 1.248 58.632 57.345 0.065 0.000 1.327 74 W CB -0.421 29.012 29.460 -0.045 0.000 1.128 74 W HN 0.062 nan 8.180 nan 0.000 0.522 75 S N 0.684 116.545 115.700 0.269 0.000 2.370 75 S HA -0.205 4.265 4.470 0.000 0.000 0.226 75 S C 1.557 176.225 174.600 0.114 0.000 1.033 75 S CA 1.371 59.664 58.200 0.155 0.000 1.011 75 S CB -0.587 62.680 63.200 0.111 0.000 0.852 75 S HN 0.287 nan 8.310 nan 0.000 0.457 76 K N 0.834 121.292 120.400 0.097 0.000 2.432 76 K HA 0.169 4.489 4.320 0.000 0.000 0.196 76 K C 1.417 178.050 176.600 0.055 0.000 1.038 76 K CA 0.449 56.771 56.287 0.058 0.000 0.986 76 K CB -0.485 32.035 32.500 0.034 0.000 0.782 76 K HN 0.629 nan 8.250 nan 0.000 0.485 77 G N 1.259 110.110 108.800 0.084 0.000 2.148 77 G HA2 -0.251 3.709 3.960 0.000 0.000 0.254 77 G HA3 -0.251 3.709 3.960 0.000 0.000 0.254 77 G C 0.601 175.508 174.900 0.012 0.000 0.981 77 G CA 0.441 45.587 45.100 0.077 0.000 0.670 77 G HN 0.294 nan 8.290 nan 0.000 0.528 78 V N 0.025 119.923 119.914 -0.028 0.000 3.649 78 V HA 0.523 4.643 4.120 0.000 0.000 0.275 78 V C 1.167 177.155 176.094 -0.178 0.000 1.281 78 V CA 0.143 62.394 62.300 -0.083 0.000 1.143 78 V CB -0.504 31.272 31.823 -0.078 0.000 0.892 78 V HN 0.448 nan 8.190 nan 0.000 0.441 79 F N 0.950 120.645 119.950 -0.426 0.000 2.608 79 F HA 0.269 4.796 4.527 0.000 0.000 0.380 79 F C 0.178 175.682 175.800 -0.494 0.000 1.083 79 F CA 0.678 58.265 58.000 -0.688 0.000 1.266 79 F CB 1.083 39.094 39.000 -1.649 0.000 1.076 79 F HN -0.053 nan 8.300 nan 0.000 0.574 80 V N 8.233 127.710 119.914 -0.729 0.000 2.370 80 V HA 0.439 4.559 4.120 0.000 0.000 0.279 80 V C -1.057 174.917 176.094 -0.199 0.000 1.029 80 V CA -0.565 61.526 62.300 -0.348 0.000 0.870 80 V CB 1.366 32.999 31.823 -0.317 0.000 0.984 80 V HN 0.543 nan 8.190 nan 0.000 0.451 81 V N 7.853 127.800 119.914 0.055 0.000 2.368 81 V HA 0.392 4.512 4.120 0.000 0.000 0.266 81 V C 0.317 176.453 176.094 0.071 0.000 1.045 81 V CA -0.594 61.808 62.300 0.170 0.000 0.899 81 V CB 1.168 33.112 31.823 0.202 0.000 1.006 81 V HN 0.897 nan 8.190 nan 0.000 0.470 82 K N 2.914 123.352 120.400 0.063 0.000 2.270 82 K HA 0.167 4.487 4.320 0.000 0.000 0.276 82 K C 1.089 177.713 176.600 0.039 0.000 1.023 82 K CA 0.115 56.418 56.287 0.028 0.000 0.955 82 K CB 0.489 32.999 32.500 0.016 0.000 0.975 82 K HN 0.647 nan 8.250 nan 0.000 0.471 83 Q N 1.413 121.226 119.800 0.023 0.000 2.368 83 Q HA -0.176 4.164 4.340 0.000 0.000 0.210 83 Q C 0.677 176.691 176.000 0.023 0.000 0.982 83 Q CA 1.704 57.520 55.803 0.022 0.000 0.884 83 Q CB 0.128 28.874 28.738 0.014 0.000 0.933 83 Q HN 0.707 nan 8.270 nan 0.000 0.460 84 S N -0.554 115.160 115.700 0.024 0.000 2.562 84 S HA -0.001 4.470 4.470 0.000 0.000 0.221 84 S C -0.014 174.604 174.600 0.030 0.000 0.975 84 S CA -0.111 58.102 58.200 0.022 0.000 0.918 84 S CB 0.154 63.364 63.200 0.018 0.000 0.772 84 S HN 0.203 nan 8.310 nan 0.000 0.531 85 D N 3.317 123.743 120.400 0.045 0.000 2.336 85 D HA 0.101 4.741 4.640 0.000 0.000 0.249 85 D C 1.229 177.548 176.300 0.032 0.000 1.213 85 D CA -0.050 53.983 54.000 0.055 0.000 0.870 85 D CB 1.024 41.882 40.800 0.097 0.000 1.076 85 D HN 0.560 nan 8.370 nan 0.000 0.483 86 E N 1.725 121.939 120.200 0.023 0.000 2.230 86 E HA -0.090 4.261 4.350 0.000 0.000 0.192 86 E C 0.031 176.625 176.600 -0.010 0.000 0.987 86 E CA 0.587 56.991 56.400 0.006 0.000 0.841 86 E CB 0.120 29.826 29.700 0.010 0.000 0.783 86 E HN 0.512 nan 8.360 nan 0.000 0.481 87 D N -0.830 119.578 120.400 0.013 0.000 2.626 87 D HA 0.121 4.761 4.640 0.000 0.000 0.278 87 D C 0.552 176.847 176.300 -0.008 0.000 1.211 87 D CA -0.848 53.156 54.000 0.007 0.000 0.903 87 D CB 0.336 41.195 40.800 0.099 0.000 1.408 87 D HN -0.105 nan 8.370 nan 0.000 0.454 88 I N 0.189 120.691 120.570 -0.114 0.000 2.454 88 I HA -0.160 4.010 4.170 0.000 0.000 0.254 88 I C 1.412 177.370 176.117 -0.264 0.000 1.156 88 I CA 1.790 62.938 61.300 -0.252 0.000 1.433 88 I CB -0.506 37.219 38.000 -0.458 0.000 1.082 88 I HN 0.473 nan 8.210 nan 0.000 0.432 89 H N -0.807 118.225 119.070 -0.063 0.000 2.389 89 H HA -0.044 4.512 4.556 0.000 0.000 0.299 89 H C 2.174 177.481 175.328 -0.035 0.000 1.081 89 H CA 1.875 57.890 56.048 -0.054 0.000 1.345 89 H CB -0.846 28.877 29.762 -0.065 0.000 1.393 89 H HN 0.246 nan 8.280 nan 0.000 0.520 90 T N 0.416 115.027 114.554 0.095 0.000 2.821 90 T HA -0.104 4.246 4.350 0.000 0.000 0.267 90 T C 2.368 177.122 174.700 0.091 0.000 1.046 90 T CA 1.008 63.142 62.100 0.057 0.000 1.139 90 T CB -0.432 68.463 68.868 0.045 0.000 0.871 90 T HN 0.494 nan 8.240 nan 0.000 0.454 91 A N 2.800 125.692 122.820 0.120 0.000 1.851 91 A HA -0.193 4.127 4.320 0.000 0.000 0.216 91 A C 2.278 180.053 177.584 0.317 0.000 1.195 91 A CA 1.679 53.862 52.037 0.243 0.000 0.622 91 A CB -0.804 18.361 19.000 0.275 0.000 0.831 91 A HN 0.382 nan 8.150 nan 0.000 0.444 92 N N -0.053 118.776 118.700 0.214 0.000 2.149 92 N HA -0.154 4.586 4.740 0.000 0.000 0.188 92 N C 1.673 177.291 175.510 0.181 0.000 1.019 92 N CA 1.597 54.789 53.050 0.238 0.000 0.857 92 N CB -0.446 38.108 38.487 0.113 0.000 0.997 92 N HN 0.677 nan 8.380 nan 0.000 0.426 93 E N 0.477 120.743 120.200 0.111 0.000 2.077 93 E HA -0.150 4.200 4.350 0.000 0.000 0.193 93 E C 2.092 178.736 176.600 0.074 0.000 0.989 93 E CA 0.568 57.009 56.400 0.067 0.000 0.800 93 E CB -0.006 29.693 29.700 -0.002 0.000 0.746 93 E HN 0.309 nan 8.360 nan 0.000 0.452 94 R N 1.059 121.613 120.500 0.090 0.000 2.073 94 R HA -0.170 4.170 4.340 0.000 0.000 0.234 94 R C 2.392 178.733 176.300 0.070 0.000 1.134 94 R CA 1.484 57.627 56.100 0.071 0.000 0.952 94 R CB -0.040 30.305 30.300 0.075 0.000 0.850 94 R HN -0.092 nan 8.270 nan 0.000 0.433 95 R N 0.954 121.529 120.500 0.125 0.000 2.080 95 R HA -0.144 4.197 4.340 0.000 0.000 0.236 95 R C 2.240 178.581 176.300 0.069 0.000 1.137 95 R CA 1.721 57.868 56.100 0.078 0.000 0.943 95 R CB -1.107 29.313 30.300 0.200 0.000 0.846 95 R HN 0.337 nan 8.270 nan 0.000 0.431 96 L N 1.129 122.419 121.223 0.110 0.000 2.129 96 L HA -0.184 4.156 4.340 0.000 0.000 0.212 96 L C 2.183 179.086 176.870 0.054 0.000 1.087 96 L CA 2.132 57.023 54.840 0.086 0.000 0.757 96 L CB -0.524 41.593 42.059 0.097 0.000 0.896 96 L HN 0.330 nan 8.230 nan 0.000 0.434 97 K N 0.028 120.456 120.400 0.046 0.000 2.031 97 K HA -0.179 4.141 4.320 0.000 0.000 0.205 97 K C 1.720 178.329 176.600 0.015 0.000 1.049 97 K CA 1.450 57.755 56.287 0.031 0.000 0.939 97 K CB -0.222 32.294 32.500 0.027 0.000 0.717 97 K HN 0.662 nan 8.250 nan 0.000 0.438 98 E N 0.372 120.575 120.200 0.005 0.000 2.526 98 E HA -0.126 4.224 4.350 0.000 0.000 0.198 98 E C 1.402 177.992 176.600 -0.017 0.000 1.091 98 E CA 0.324 56.717 56.400 -0.013 0.000 0.880 98 E CB 0.143 29.824 29.700 -0.033 0.000 0.873 98 E HN 0.210 nan 8.360 nan 0.000 0.527 99 L N 0.551 121.772 121.223 -0.002 0.000 2.609 99 L HA 0.272 4.612 4.340 0.000 0.000 0.230 99 L C 1.634 178.508 176.870 0.008 0.000 1.064 99 L CA 0.473 55.312 54.840 -0.002 0.000 0.873 99 L CB 0.574 42.638 42.059 0.008 0.000 1.139 99 L HN 0.392 nan 8.230 nan 0.000 0.490 100 I N -4.787 115.792 120.570 0.015 0.000 4.541 100 I HA 0.640 4.810 4.170 0.000 0.000 0.337 100 I C 0.826 176.953 176.117 0.017 0.000 1.338 100 I CA 0.112 61.422 61.300 0.017 0.000 1.244 100 I CB 0.197 38.213 38.000 0.026 0.000 1.417 100 I HN 0.123 nan 8.210 nan 0.000 0.501 101 G N 2.259 111.067 108.800 0.015 0.000 2.632 101 G HA2 -0.268 3.692 3.960 0.000 0.000 0.224 101 G HA3 -0.268 3.692 3.960 0.000 0.000 0.224 101 G C 0.133 175.045 174.900 0.020 0.000 1.341 101 G CA 0.271 45.380 45.100 0.014 0.000 0.880 101 G HN 0.272 nan 8.290 nan 0.000 0.566 102 D N -0.320 120.091 120.400 0.018 0.000 2.157 102 D HA -0.176 4.464 4.640 0.000 0.000 0.191 102 D C 2.604 178.921 176.300 0.028 0.000 1.004 102 D CA 1.934 55.947 54.000 0.022 0.000 0.854 102 D CB -0.137 40.674 40.800 0.018 0.000 0.936 102 D HN 0.358 nan 8.370 nan 0.000 0.446 103 I N 1.754 122.340 120.570 0.027 0.000 2.290 103 I HA -0.318 3.852 4.170 0.000 0.000 0.253 103 I C 2.509 178.652 176.117 0.043 0.000 1.112 103 I CA 1.000 62.319 61.300 0.031 0.000 1.377 103 I CB -0.621 37.396 38.000 0.027 0.000 1.060 103 I HN -0.027 nan 8.210 nan 0.000 0.428 104 A N 0.197 123.044 122.820 0.044 0.000 1.917 104 A HA -0.190 4.130 4.320 0.000 0.000 0.219 104 A C 2.552 180.177 177.584 0.067 0.000 1.182 104 A CA 1.987 54.058 52.037 0.056 0.000 0.633 104 A CB -1.580 17.449 19.000 0.050 0.000 0.819 104 A HN 0.466 nan 8.150 nan 0.000 0.448 105 G N -0.223 108.612 108.800 0.059 0.000 2.442 105 G HA2 -0.273 3.687 3.960 0.000 0.000 0.219 105 G HA3 -0.273 3.687 3.960 0.000 0.000 0.219 105 G C 1.560 176.517 174.900 0.095 0.000 1.141 105 G CA 1.109 46.252 45.100 0.071 0.000 0.763 105 G HN 0.634 nan 8.290 nan 0.000 0.554 106 K N -0.362 120.085 120.400 0.079 0.000 2.360 106 K HA -0.002 4.319 4.320 0.000 0.000 0.201 106 K C 2.210 178.879 176.600 0.115 0.000 1.046 106 K CA 0.466 56.800 56.287 0.080 0.000 0.940 106 K CB -0.165 32.366 32.500 0.052 0.000 0.748 106 K HN 0.290 nan 8.250 nan 0.000 0.465 107 L N 0.448 121.755 121.223 0.140 0.000 2.131 107 L HA -0.150 4.190 4.340 0.000 0.000 0.210 107 L C 1.881 178.930 176.870 0.298 0.000 1.092 107 L CA 1.869 56.829 54.840 0.201 0.000 0.759 107 L CB -0.413 41.753 42.059 0.178 0.000 0.903 107 L HN 0.179 nan 8.230 nan 0.000 0.435 108 H N -0.993 118.147 119.070 0.117 0.000 2.547 108 H HA 0.158 4.714 4.556 0.000 0.000 0.266 108 H C 0.024 175.414 175.328 0.103 0.000 0.988 108 H CA 0.037 56.132 56.048 0.078 0.000 1.147 108 H CB -0.556 29.224 29.762 0.030 0.000 1.365 108 H HN 0.203 nan 8.280 nan 0.000 0.589 109 T N 0.390 115.026 114.554 0.137 0.000 2.822 109 T HA 0.202 4.552 4.350 0.000 0.000 0.288 109 T C 1.375 176.125 174.700 0.083 0.000 0.991 109 T CA 0.895 63.041 62.100 0.075 0.000 1.176 109 T CB -0.015 68.898 68.868 0.075 0.000 0.951 109 T HN 0.660 nan 8.240 nan 0.000 0.526 110 G N 3.033 111.821 108.800 -0.020 0.000 2.196 110 G HA2 -0.315 3.646 3.960 0.000 0.000 0.268 110 G HA3 -0.315 3.646 3.960 0.000 0.000 0.268 110 G C 0.292 175.144 174.900 -0.079 0.000 0.975 110 G CA 0.713 45.805 45.100 -0.014 0.000 0.648 110 G HN 0.821 nan 8.290 nan 0.000 0.538 111 R N -0.013 120.316 120.500 -0.287 0.000 2.596 111 R HA 0.702 5.042 4.340 0.000 0.000 0.267 111 R C -0.043 175.935 176.300 -0.537 0.000 1.026 111 R CA 0.248 56.046 56.100 -0.503 0.000 1.087 111 R CB 1.213 31.044 30.300 -0.782 0.000 1.132 111 R HN 0.309 nan 8.270 nan 0.000 0.531 112 S N -0.078 115.411 115.700 -0.352 0.000 2.595 112 S HA 0.335 4.805 4.470 0.000 0.000 0.281 112 S C 0.153 174.656 174.600 -0.162 0.000 1.117 112 S CA -0.783 57.282 58.200 -0.225 0.000 0.873 112 S CB 1.865 64.946 63.200 -0.198 0.000 1.108 112 S HN 0.692 nan 8.310 nan 0.000 0.477 113 R N 2.010 122.419 120.500 -0.152 0.000 2.115 113 R HA 0.129 4.469 4.340 0.000 0.000 0.230 113 R C 1.814 177.918 176.300 -0.328 0.000 1.111 113 R CA 1.981 57.924 56.100 -0.262 0.000 0.976 113 R CB -0.893 29.249 30.300 -0.264 0.000 0.870 113 R HN 0.777 nan 8.270 nan 0.000 0.445 114 N N 0.279 118.754 118.700 -0.375 0.000 2.104 114 N HA -0.175 4.565 4.740 0.000 0.000 0.190 114 N C 0.737 176.119 175.510 -0.213 0.000 1.024 114 N CA 1.444 54.236 53.050 -0.430 0.000 0.853 114 N CB -0.129 38.088 38.487 -0.451 0.000 1.008 114 N HN 0.390 nan 8.380 nan 0.000 0.424 115 D N 0.013 120.306 120.400 -0.179 0.000 2.360 115 D HA -0.059 4.581 4.640 0.000 0.000 0.210 115 D C 1.543 177.770 176.300 -0.122 0.000 1.047 115 D CA 0.410 54.333 54.000 -0.128 0.000 0.854 115 D CB -0.161 40.561 40.800 -0.129 0.000 0.936 115 D HN 0.266 nan 8.370 nan 0.000 0.514 116 Q N 0.253 119.965 119.800 -0.146 0.000 2.062 116 Q HA -0.026 4.314 4.340 0.000 0.000 0.196 116 Q C 2.202 178.190 176.000 -0.020 0.000 0.967 116 Q CA 0.640 56.383 55.803 -0.099 0.000 0.832 116 Q CB 0.236 28.886 28.738 -0.146 0.000 0.899 116 Q HN 0.148 nan 8.270 nan 0.000 0.442 117 V N 0.652 120.516 119.914 -0.083 0.000 2.295 117 V HA -0.214 3.906 4.120 0.000 0.000 0.246 117 V C 2.279 178.431 176.094 0.097 0.000 1.049 117 V CA 1.975 64.297 62.300 0.037 0.000 1.024 117 V CB -0.268 31.551 31.823 -0.006 0.000 0.648 117 V HN 0.442 nan 8.190 nan 0.000 0.447 118 V N -2.278 117.674 119.914 0.063 0.000 2.358 118 V HA -0.194 3.926 4.120 0.000 0.000 0.246 118 V C 2.366 178.453 176.094 -0.013 0.000 1.047 118 V CA 2.552 64.895 62.300 0.071 0.000 1.035 118 V CB -1.927 29.925 31.823 0.049 0.000 0.658 118 V HN 0.544 nan 8.190 nan 0.000 0.452 119 T N 0.491 115.034 114.554 -0.019 0.000 2.720 119 T HA -0.177 4.174 4.350 0.000 0.000 0.268 119 T C 1.631 176.396 174.700 0.108 0.000 1.037 119 T CA 2.062 64.166 62.100 0.007 0.000 1.144 119 T CB -0.508 68.356 68.868 -0.006 0.000 0.864 119 T HN 0.575 nan 8.240 nan 0.000 0.444 120 D N 0.788 121.256 120.400 0.114 0.000 2.084 120 D HA -0.017 4.623 4.640 0.000 0.000 0.196 120 D C 1.993 178.399 176.300 0.175 0.000 0.985 120 D CA 0.530 54.613 54.000 0.139 0.000 0.826 120 D CB -0.551 40.344 40.800 0.158 0.000 0.978 120 D HN 0.142 nan 8.370 nan 0.000 0.456 121 L N 1.118 122.453 121.223 0.186 0.000 2.083 121 L HA -0.126 4.215 4.340 0.000 0.000 0.209 121 L C 1.831 178.847 176.870 0.242 0.000 1.083 121 L CA 1.733 56.730 54.840 0.261 0.000 0.752 121 L CB -0.263 41.984 42.059 0.313 0.000 0.899 121 L HN -0.097 nan 8.230 nan 0.000 0.433 122 K N -0.961 119.476 120.400 0.062 0.000 2.057 122 K HA -0.112 4.208 4.320 0.000 0.000 0.206 122 K C 2.080 178.719 176.600 0.064 0.000 1.050 122 K CA 1.411 57.677 56.287 -0.035 0.000 0.935 122 K CB -0.251 32.164 32.500 -0.142 0.000 0.715 122 K HN 0.319 nan 8.250 nan 0.000 0.439 123 L N 0.043 121.338 121.223 0.120 0.000 2.017 123 L HA -0.193 4.148 4.340 0.000 0.000 0.208 123 L C 2.410 179.285 176.870 0.009 0.000 1.073 123 L CA 1.209 56.052 54.840 0.005 0.000 0.745 123 L CB -0.446 41.642 42.059 0.048 0.000 0.894 123 L HN 0.128 nan 8.230 nan 0.000 0.432 124 F N 0.456 120.392 119.950 -0.024 0.000 2.126 124 F HA -0.280 4.247 4.527 0.000 0.000 0.299 124 F C 2.458 178.231 175.800 -0.044 0.000 1.096 124 F CA 1.687 59.672 58.000 -0.025 0.000 1.255 124 F CB -0.151 38.877 39.000 0.046 0.000 0.997 124 F HN -0.053 nan 8.300 nan 0.000 0.479 125 M N 0.002 119.617 119.600 0.026 0.000 2.175 125 M HA -0.185 4.295 4.480 0.000 0.000 0.264 125 M C 2.328 178.488 176.300 -0.233 0.000 1.063 125 M CA 1.627 56.837 55.300 -0.150 0.000 1.119 125 M CB -0.427 32.171 32.600 -0.005 0.000 1.377 125 M HN 0.107 nan 8.290 nan 0.000 0.415 126 K N 0.458 120.752 120.400 -0.177 0.000 2.057 126 K HA -0.181 4.140 4.320 0.000 0.000 0.207 126 K C 1.596 178.061 176.600 -0.226 0.000 1.049 126 K CA 1.523 57.694 56.287 -0.192 0.000 0.931 126 K CB 0.024 32.387 32.500 -0.227 0.000 0.714 126 K HN 0.294 nan 8.250 nan 0.000 0.440 127 N N 0.403 118.942 118.700 -0.269 0.000 2.080 127 N HA -0.101 4.640 4.740 0.000 0.000 0.189 127 N C 1.901 177.221 175.510 -0.317 0.000 1.036 127 N CA 1.424 54.308 53.050 -0.276 0.000 0.846 127 N CB -0.531 37.788 38.487 -0.281 0.000 1.015 127 N HN 0.091 nan 8.380 nan 0.000 0.423 128 S N 1.108 116.518 115.700 -0.482 0.000 2.370 128 S HA -0.050 4.420 4.470 0.000 0.000 0.226 128 S C 1.931 176.402 174.600 -0.215 0.000 1.033 128 S CA 0.711 58.657 58.200 -0.422 0.000 1.011 128 S CB -0.240 62.581 63.200 -0.631 0.000 0.852 128 S HN 0.118 nan 8.310 nan 0.000 0.457 129 L N 1.481 122.579 121.223 -0.210 0.000 2.191 129 L HA -0.013 4.328 4.340 0.000 0.000 0.212 129 L C 2.548 179.361 176.870 -0.095 0.000 1.103 129 L CA 1.304 56.082 54.840 -0.104 0.000 0.769 129 L CB -1.120 40.863 42.059 -0.126 0.000 0.908 129 L HN 0.309 nan 8.230 nan 0.000 0.438 130 S N -0.687 114.932 115.700 -0.136 0.000 2.368 130 S HA -0.109 4.361 4.470 0.000 0.000 0.224 130 S C 2.062 176.583 174.600 -0.131 0.000 1.029 130 S CA 1.033 59.157 58.200 -0.125 0.000 0.988 130 S CB -0.162 62.955 63.200 -0.138 0.000 0.838 130 S HN 0.383 nan 8.310 nan 0.000 0.462 131 I N 0.957 121.440 120.570 -0.146 0.000 2.353 131 I HA -0.093 4.077 4.170 0.000 0.000 0.248 131 I C 2.081 178.088 176.117 -0.182 0.000 1.119 131 I CA 0.988 62.175 61.300 -0.188 0.000 1.417 131 I CB -0.257 37.657 38.000 -0.142 0.000 1.078 131 I HN 0.330 nan 8.210 nan 0.000 0.421 132 I N -0.247 120.314 120.570 -0.015 0.000 2.315 132 I HA -0.286 3.884 4.170 0.000 0.000 0.248 132 I C 2.748 178.921 176.117 0.093 0.000 1.117 132 I CA 1.131 62.509 61.300 0.130 0.000 1.404 132 I CB -0.310 37.844 38.000 0.256 0.000 1.071 132 I HN 0.194 nan 8.210 nan 0.000 0.419 133 S N 0.511 116.222 115.700 0.018 0.000 2.370 133 S HA -0.238 4.233 4.470 0.000 0.000 0.226 133 S C 2.263 176.853 174.600 -0.017 0.000 1.033 133 S CA 2.456 60.659 58.200 0.005 0.000 1.011 133 S CB -0.518 62.658 63.200 -0.041 0.000 0.852 133 S HN 0.649 nan 8.310 nan 0.000 0.457 134 T N -0.986 113.508 114.554 -0.100 0.000 2.746 134 T HA -0.141 4.209 4.350 0.000 0.000 0.267 134 T C 1.556 176.232 174.700 -0.039 0.000 1.039 134 T CA 1.815 63.847 62.100 -0.113 0.000 1.142 134 T CB -1.050 67.695 68.868 -0.205 0.000 0.866 134 T HN 0.727 nan 8.240 nan 0.000 0.444 135 H N 0.427 119.516 119.070 0.031 0.000 2.353 135 H HA 0.102 4.658 4.556 0.000 0.000 0.300 135 H C 2.239 177.588 175.328 0.035 0.000 1.090 135 H CA 1.104 57.171 56.048 0.033 0.000 1.327 135 H CB -0.141 29.646 29.762 0.041 0.000 1.383 135 H HN 0.191 nan 8.280 nan 0.000 0.508 136 L N 0.895 122.220 121.223 0.170 0.000 2.017 136 L HA -0.143 4.197 4.340 0.000 0.000 0.208 136 L C 1.921 178.838 176.870 0.079 0.000 1.073 136 L CA 1.450 56.365 54.840 0.125 0.000 0.745 136 L CB -0.662 41.490 42.059 0.154 0.000 0.894 136 L HN 0.257 nan 8.230 nan 0.000 0.432 137 L N -0.878 120.380 121.223 0.059 0.000 2.083 137 L HA -0.209 4.131 4.340 0.000 0.000 0.209 137 L C 2.616 179.506 176.870 0.034 0.000 1.083 137 L CA 1.284 56.145 54.840 0.034 0.000 0.752 137 L CB -0.635 41.434 42.059 0.017 0.000 0.899 137 L HN 0.377 nan 8.230 nan 0.000 0.433 138 Q N 0.524 120.354 119.800 0.051 0.000 2.124 138 Q HA -0.197 4.143 4.340 0.000 0.000 0.202 138 Q C 2.095 178.117 176.000 0.036 0.000 0.977 138 Q CA 1.596 57.430 55.803 0.051 0.000 0.850 138 Q CB -0.307 28.483 28.738 0.087 0.000 0.901 138 Q HN 0.511 nan 8.270 nan 0.000 0.429 139 L N -0.654 120.590 121.223 0.036 0.000 2.005 139 L HA -0.127 4.214 4.340 0.000 0.000 0.207 139 L C 2.120 178.986 176.870 -0.007 0.000 1.072 139 L CA 1.264 56.107 54.840 0.006 0.000 0.744 139 L CB -0.253 41.808 42.059 0.004 0.000 0.895 139 L HN 0.311 nan 8.230 nan 0.000 0.433 140 I N 0.130 120.700 120.570 0.001 0.000 2.163 140 I HA -0.384 3.787 4.170 0.000 0.000 0.243 140 I C 2.656 178.765 176.117 -0.014 0.000 1.085 140 I CA 1.620 62.912 61.300 -0.013 0.000 1.347 140 I CB -0.414 37.584 38.000 -0.004 0.000 1.044 140 I HN 0.311 nan 8.210 nan 0.000 0.408 141 K N 0.611 121.010 120.400 -0.001 0.000 2.032 141 K HA -0.200 4.121 4.320 0.000 0.000 0.209 141 K C 2.109 178.709 176.600 0.000 0.000 1.048 141 K CA 2.170 58.458 56.287 0.001 0.000 0.927 141 K CB -0.146 32.360 32.500 0.010 0.000 0.712 141 K HN 0.244 nan 8.250 nan 0.000 0.441 142 T N 1.967 116.523 114.554 0.003 0.000 2.684 142 T HA -0.162 4.188 4.350 0.000 0.000 0.267 142 T C 1.829 176.526 174.700 -0.005 0.000 1.036 142 T CA 1.454 63.557 62.100 0.005 0.000 1.148 142 T CB -0.181 68.689 68.868 0.002 0.000 0.863 142 T HN 0.163 nan 8.240 nan 0.000 0.436 143 L N 0.592 121.800 121.223 -0.026 0.000 2.017 143 L HA -0.113 4.228 4.340 0.000 0.000 0.208 143 L C 2.677 179.517 176.870 -0.051 0.000 1.073 143 L CA 1.066 55.876 54.840 -0.050 0.000 0.745 143 L CB -0.584 41.429 42.059 -0.076 0.000 0.894 143 L HN 0.151 nan 8.230 nan 0.000 0.432 144 V N -0.263 119.628 119.914 -0.040 0.000 2.407 144 V HA -0.274 3.846 4.120 0.000 0.000 0.248 144 V C 2.325 178.410 176.094 -0.014 0.000 1.055 144 V CA 1.812 64.092 62.300 -0.034 0.000 1.049 144 V CB -0.577 31.230 31.823 -0.026 0.000 0.662 144 V HN 0.492 nan 8.190 nan 0.000 0.455 145 E N -0.076 120.125 120.200 0.000 0.000 2.150 145 E HA -0.233 4.117 4.350 0.000 0.000 0.193 145 E C 2.396 179.015 176.600 0.031 0.000 0.985 145 E CA 1.030 57.440 56.400 0.017 0.000 0.814 145 E CB -0.177 29.536 29.700 0.023 0.000 0.752 145 E HN 0.480 nan 8.360 nan 0.000 0.466 146 R N 0.681 121.202 120.500 0.035 0.000 2.119 146 R HA 0.002 4.342 4.340 0.000 0.000 0.222 146 R C 2.213 178.549 176.300 0.059 0.000 1.088 146 R CA 0.886 57.030 56.100 0.073 0.000 0.984 146 R CB -0.043 30.322 30.300 0.108 0.000 0.884 146 R HN 0.107 nan 8.270 nan 0.000 0.447 147 A N 0.791 123.609 122.820 -0.004 0.000 1.972 147 A HA -0.086 4.234 4.320 0.000 0.000 0.219 147 A C 2.242 179.836 177.584 0.016 0.000 1.169 147 A CA 1.556 53.576 52.037 -0.029 0.000 0.635 147 A CB -0.526 18.432 19.000 -0.070 0.000 0.810 147 A HN 0.502 nan 8.150 nan 0.000 0.446 148 A N 0.301 123.134 122.820 0.021 0.000 1.832 148 A HA -0.030 4.291 4.320 0.000 0.000 0.214 148 A C 1.999 179.611 177.584 0.047 0.000 1.200 148 A CA 1.578 53.632 52.037 0.029 0.000 0.610 148 A CB -0.563 18.451 19.000 0.023 0.000 0.842 148 A HN 0.362 nan 8.150 nan 0.000 0.444 149 I N 0.366 120.971 120.570 0.058 0.000 2.163 149 I HA -0.190 3.980 4.170 0.000 0.000 0.243 149 I C 1.480 177.652 176.117 0.091 0.000 1.085 149 I CA 1.448 62.789 61.300 0.069 0.000 1.347 149 I CB -1.519 36.525 38.000 0.073 0.000 1.044 149 I HN 0.452 nan 8.210 nan 0.000 0.408 150 E N 0.377 120.657 120.200 0.133 0.000 2.370 150 E HA 0.083 4.433 4.350 0.000 0.000 0.194 150 E C 1.813 178.524 176.600 0.184 0.000 1.057 150 E CA -0.213 56.300 56.400 0.189 0.000 1.011 150 E CB 0.008 29.914 29.700 0.343 0.000 1.132 150 E HN 0.416 nan 8.360 nan 0.000 0.450 151 I N 0.956 121.595 120.570 0.115 0.000 2.850 151 I HA -0.240 3.931 4.170 0.000 0.000 0.266 151 I C 0.844 177.015 176.117 0.091 0.000 1.257 151 I CA 1.201 62.557 61.300 0.092 0.000 1.465 151 I CB 0.283 38.319 38.000 0.060 0.000 1.091 151 I HN 0.055 nan 8.210 nan 0.000 0.467 152 D N 0.150 120.602 120.400 0.086 0.000 2.327 152 D HA 0.080 4.720 4.640 0.000 0.000 0.205 152 D C 0.777 177.114 176.300 0.062 0.000 0.989 152 D CA 0.318 54.357 54.000 0.066 0.000 0.873 152 D CB 0.197 41.026 40.800 0.048 0.000 0.955 152 D HN 0.112 nan 8.370 nan 0.000 0.515 153 V N 2.534 122.497 119.914 0.082 0.000 2.540 153 V HA 0.022 4.142 4.120 0.000 0.000 0.297 153 V C 0.618 176.744 176.094 0.054 0.000 1.024 153 V CA 0.370 62.693 62.300 0.038 0.000 1.105 153 V CB 0.526 32.362 31.823 0.022 0.000 0.938 153 V HN -0.023 nan 8.190 nan 0.000 0.482 154 I N 6.464 127.008 120.570 -0.044 0.000 2.569 154 I HA 0.612 4.782 4.170 0.000 0.000 0.296 154 I C -0.706 175.286 176.117 -0.209 0.000 1.028 154 I CA -0.741 60.520 61.300 -0.065 0.000 1.082 154 I CB 1.911 39.882 38.000 -0.048 0.000 1.264 154 I HN 0.460 nan 8.210 nan 0.000 0.429 155 L N 4.201 125.299 121.223 -0.208 0.000 2.510 155 L HA 0.805 5.145 4.340 0.000 0.000 0.252 155 L C -3.079 173.638 176.870 -0.255 0.000 1.091 155 L CA -2.895 51.723 54.840 -0.370 0.000 0.888 155 L CB -0.151 41.536 42.059 -0.620 0.000 1.507 155 L HN 0.139 nan 8.230 nan 0.000 0.407 156 P HA 0.438 nan 4.420 nan 0.000 0.271 156 P C -0.362 176.788 177.300 -0.249 0.000 1.218 156 P CA 0.188 63.115 63.100 -0.287 0.000 0.780 156 P CB 0.636 32.089 31.700 -0.412 0.000 0.901 157 G N 1.378 110.038 108.800 -0.233 0.000 2.379 157 G HA2 0.531 4.491 3.960 0.000 0.000 0.327 157 G HA3 0.531 4.491 3.960 0.000 0.000 0.327 157 G C -1.569 173.242 174.900 -0.149 0.000 1.145 157 G CA -0.209 44.861 45.100 -0.050 0.000 0.905 157 G HN 0.303 nan 8.290 nan 0.000 0.466 158 Y N 0.375 120.771 120.300 0.159 0.000 2.457 158 Y HA 0.666 5.217 4.550 0.001 0.000 0.333 158 Y C 0.756 176.707 175.900 0.084 0.000 1.119 158 Y CA -0.688 57.503 58.100 0.152 0.000 1.143 158 Y CB 2.697 41.296 38.460 0.231 0.000 1.230 158 Y HN 0.618 nan 8.280 nan 0.000 0.469 159 T N -0.943 113.737 114.554 0.210 0.000 3.011 159 T HA 0.318 4.668 4.350 0.000 0.000 0.303 159 T C -0.830 173.895 174.700 0.042 0.000 0.997 159 T CA -0.782 61.310 62.100 -0.013 0.000 1.007 159 T CB 0.706 69.526 68.868 -0.080 0.000 1.017 159 T HN 0.894 nan 8.240 nan 0.000 0.443 160 H N 1.401 120.557 119.070 0.143 0.000 3.080 160 H HA -0.140 4.416 4.556 0.000 0.000 0.254 160 H C 0.990 176.409 175.328 0.151 0.000 1.179 160 H CA 0.735 56.854 56.048 0.119 0.000 1.144 160 H CB -1.405 28.417 29.762 0.099 0.000 1.261 160 H HN 0.942 nan 8.280 nan 0.000 0.333 161 L N -1.040 120.346 121.223 0.272 0.000 4.040 161 L HA -0.249 4.092 4.340 0.000 0.000 0.410 161 L C -0.179 176.945 176.870 0.423 0.000 1.187 161 L CA 1.480 56.493 54.840 0.289 0.000 0.956 161 L CB -0.548 41.608 42.059 0.161 0.000 2.022 161 L HN 0.437 nan 8.230 nan 0.000 0.897 162 Q N 0.772 120.833 119.800 0.435 0.000 2.331 162 Q HA 0.357 4.697 4.340 0.000 0.000 0.267 162 Q C -0.029 176.117 176.000 0.243 0.000 1.006 162 Q CA -0.697 55.306 55.803 0.334 0.000 0.818 162 Q CB 1.667 30.540 28.738 0.224 0.000 1.276 162 Q HN 0.285 nan 8.270 nan 0.000 0.450 163 K N 1.351 121.800 120.400 0.081 0.000 2.440 163 K HA -0.003 4.317 4.320 0.000 0.000 0.275 163 K C 0.482 177.023 176.600 -0.098 0.000 1.082 163 K CA 0.295 56.431 56.287 -0.252 0.000 1.135 163 K CB 0.367 32.744 32.500 -0.205 0.000 0.864 163 K HN 0.654 nan 8.250 nan 0.000 0.479 164 A N 4.154 126.902 122.820 -0.120 0.000 1.963 164 A HA -0.015 4.305 4.320 0.000 0.000 0.211 164 A C 0.318 177.895 177.584 -0.013 0.000 1.380 164 A CA 0.672 52.699 52.037 -0.017 0.000 0.690 164 A CB 0.286 19.294 19.000 0.013 0.000 1.060 164 A HN 0.806 nan 8.150 nan 0.000 0.498 165 Q N -1.268 118.504 119.800 -0.046 0.000 2.522 165 Q HA 0.487 4.827 4.340 0.000 0.000 0.285 165 Q C -3.264 172.713 176.000 -0.038 0.000 0.982 165 Q CA -2.201 53.599 55.803 -0.005 0.000 0.805 165 Q CB 1.383 30.140 28.738 0.031 0.000 1.457 165 Q HN 0.020 nan 8.270 nan 0.000 0.394 166 P HA 0.258 nan 4.420 nan 0.000 0.269 166 P C -0.715 176.575 177.300 -0.017 0.000 1.209 166 P CA 0.084 63.186 63.100 0.004 0.000 0.776 166 P CB 0.397 32.178 31.700 0.134 0.000 0.876 167 I N -2.110 118.445 120.570 -0.025 0.000 3.093 167 I HA 0.569 4.739 4.170 0.000 0.000 0.308 167 I C -0.845 175.294 176.117 0.037 0.000 1.303 167 I CA -1.647 59.647 61.300 -0.010 0.000 0.975 167 I CB 2.382 40.380 38.000 -0.004 0.000 1.286 167 I HN 0.031 nan 8.210 nan 0.000 0.459 168 R N 2.439 122.976 120.500 0.061 0.000 2.340 168 R HA 0.102 4.442 4.340 0.000 0.000 0.300 168 R C 0.653 177.062 176.300 0.182 0.000 1.069 168 R CA -0.348 55.815 56.100 0.105 0.000 0.984 168 R CB 0.980 31.330 30.300 0.084 0.000 1.003 168 R HN 0.885 nan 8.270 nan 0.000 0.459 169 W N 3.314 124.620 121.300 0.009 0.000 2.321 169 W HA -0.261 4.399 4.660 0.000 0.000 0.285 169 W C 0.454 177.079 176.519 0.177 0.000 1.213 169 W CA 1.573 58.953 57.345 0.058 0.000 1.205 169 W CB 0.166 29.622 29.460 -0.007 0.000 1.134 169 W HN 0.505 nan 8.180 nan 0.000 0.549 170 S N 0.288 116.007 115.700 0.032 0.000 2.406 170 S HA -0.234 4.236 4.470 0.000 0.000 0.228 170 S C 1.512 176.057 174.600 -0.091 0.000 1.020 170 S CA 1.559 59.698 58.200 -0.102 0.000 0.965 170 S CB -0.347 62.848 63.200 -0.008 0.000 0.798 170 S HN 0.290 nan 8.310 nan 0.000 0.488 171 Q N 0.912 120.704 119.800 -0.013 0.000 2.119 171 Q HA -0.033 4.308 4.340 0.000 0.000 0.201 171 Q C 1.687 177.654 176.000 -0.054 0.000 0.972 171 Q CA 1.358 57.143 55.803 -0.029 0.000 0.847 171 Q CB -0.487 28.251 28.738 0.001 0.000 0.903 171 Q HN 0.567 nan 8.270 nan 0.000 0.433 172 F N -0.294 119.570 119.950 -0.143 0.000 2.113 172 F HA -0.079 4.448 4.527 0.000 0.000 0.297 172 F C 1.474 177.134 175.800 -0.234 0.000 1.103 172 F CA 1.245 59.158 58.000 -0.144 0.000 1.248 172 F CB -0.220 38.765 39.000 -0.025 0.000 0.999 172 F HN 0.093 nan 8.300 nan 0.000 0.475 173 L N 0.078 121.029 121.223 -0.453 0.000 2.046 173 L HA -0.228 4.112 4.340 0.000 0.000 0.208 173 L C 2.516 179.172 176.870 -0.357 0.000 1.077 173 L CA 1.237 55.775 54.840 -0.504 0.000 0.747 173 L CB -0.778 41.003 42.059 -0.463 0.000 0.896 173 L HN 0.259 nan 8.230 nan 0.000 0.432 174 L N -0.448 120.611 121.223 -0.273 0.000 2.131 174 L HA -0.187 4.153 4.340 0.000 0.000 0.210 174 L C 2.882 179.602 176.870 -0.250 0.000 1.092 174 L CA 1.396 56.114 54.840 -0.204 0.000 0.759 174 L CB -0.645 41.330 42.059 -0.140 0.000 0.903 174 L HN 0.409 nan 8.230 nan 0.000 0.435 175 S N -1.393 114.098 115.700 -0.349 0.000 2.400 175 S HA -0.233 4.237 4.470 0.000 0.000 0.232 175 S C 1.903 176.219 174.600 -0.473 0.000 1.025 175 S CA 1.050 59.009 58.200 -0.403 0.000 0.993 175 S CB -0.576 62.337 63.200 -0.478 0.000 0.808 175 S HN 0.467 nan 8.310 nan 0.000 0.478 176 H N 1.381 120.222 119.070 -0.382 0.000 2.470 176 H HA 0.320 4.876 4.556 0.000 0.000 0.289 176 H C 2.578 177.748 175.328 -0.265 0.000 1.033 176 H CA 1.058 56.897 56.048 -0.348 0.000 1.331 176 H CB -0.630 28.891 29.762 -0.402 0.000 1.414 176 H HN 0.607 nan 8.280 nan 0.000 0.545 177 A N 0.671 123.411 122.820 -0.133 0.000 1.898 177 A HA -0.077 4.243 4.320 0.000 0.000 0.216 177 A C 2.758 180.274 177.584 -0.113 0.000 1.181 177 A CA 1.226 53.200 52.037 -0.105 0.000 0.620 177 A CB -0.752 18.189 19.000 -0.099 0.000 0.819 177 A HN 0.185 nan 8.150 nan 0.000 0.442 178 V N 0.012 119.840 119.914 -0.143 0.000 2.332 178 V HA -0.273 3.848 4.120 0.000 0.000 0.248 178 V C 3.056 179.055 176.094 -0.159 0.000 1.055 178 V CA 2.002 64.223 62.300 -0.131 0.000 1.038 178 V CB -1.236 30.505 31.823 -0.137 0.000 0.651 178 V HN 0.615 nan 8.190 nan 0.000 0.450 179 A N -0.251 122.412 122.820 -0.261 0.000 1.877 179 A HA -0.151 4.169 4.320 0.000 0.000 0.216 179 A C 2.096 179.490 177.584 -0.317 0.000 1.186 179 A CA 1.623 53.386 52.037 -0.456 0.000 0.620 179 A CB -0.581 17.900 19.000 -0.866 0.000 0.822 179 A HN 0.390 nan 8.150 nan 0.000 0.443 180 L N 0.144 121.253 121.223 -0.190 0.000 2.127 180 L HA -0.131 4.209 4.340 0.000 0.000 0.211 180 L C 2.633 179.519 176.870 0.026 0.000 1.089 180 L CA 2.315 57.143 54.840 -0.020 0.000 0.757 180 L CB -1.810 40.241 42.059 -0.014 0.000 0.899 180 L HN 0.387 nan 8.230 nan 0.000 0.434 181 T N -1.022 113.523 114.554 -0.016 0.000 2.788 181 T HA -0.167 4.183 4.350 0.000 0.000 0.268 181 T C 2.067 176.786 174.700 0.032 0.000 1.044 181 T CA 1.005 63.108 62.100 0.005 0.000 1.139 181 T CB -0.061 68.795 68.868 -0.020 0.000 0.867 181 T HN 0.302 nan 8.240 nan 0.000 0.454 182 R N 0.927 121.444 120.500 0.028 0.000 2.096 182 R HA -0.080 4.260 4.340 0.000 0.000 0.235 182 R C 2.169 178.550 176.300 0.135 0.000 1.127 182 R CA 1.380 57.520 56.100 0.066 0.000 0.968 182 R CB -0.323 30.015 30.300 0.063 0.000 0.861 182 R HN 0.367 nan 8.270 nan 0.000 0.440 183 D N 0.033 120.548 120.400 0.192 0.000 2.123 183 D HA -0.149 4.492 4.640 0.000 0.000 0.196 183 D C 1.834 178.325 176.300 0.317 0.000 0.992 183 D CA 1.292 55.478 54.000 0.310 0.000 0.833 183 D CB -0.281 40.700 40.800 0.301 0.000 0.954 183 D HN 0.040 nan 8.370 nan 0.000 0.455 184 S N -0.094 115.717 115.700 0.185 0.000 2.382 184 S HA -0.180 4.291 4.470 0.000 0.000 0.228 184 S C 1.828 176.450 174.600 0.036 0.000 1.027 184 S CA 1.277 59.539 58.200 0.104 0.000 0.991 184 S CB -0.020 63.220 63.200 0.066 0.000 0.823 184 S HN 0.226 nan 8.310 nan 0.000 0.469 185 E N 0.245 120.473 120.200 0.047 0.000 2.047 185 E HA -0.111 4.239 4.350 0.000 0.000 0.191 185 E C 2.438 179.044 176.600 0.010 0.000 0.987 185 E CA 0.845 57.258 56.400 0.021 0.000 0.799 185 E CB -0.023 29.695 29.700 0.029 0.000 0.752 185 E HN 0.417 nan 8.360 nan 0.000 0.449 186 R N 0.308 120.838 120.500 0.049 0.000 2.081 186 R HA -0.127 4.213 4.340 0.000 0.000 0.235 186 R C 2.641 178.874 176.300 -0.112 0.000 1.131 186 R CA 1.163 57.288 56.100 0.042 0.000 0.960 186 R CB -0.432 29.972 30.300 0.174 0.000 0.856 186 R HN 0.277 nan 8.270 nan 0.000 0.436 187 L N 0.203 121.248 121.223 -0.296 0.000 2.043 187 L HA -0.170 4.171 4.340 0.000 0.000 0.212 187 L C 2.202 178.896 176.870 -0.293 0.000 1.075 187 L CA 1.947 56.389 54.840 -0.662 0.000 0.752 187 L CB -0.687 40.978 42.059 -0.657 0.000 0.891 187 L HN 0.309 nan 8.230 nan 0.000 0.432 188 G N -0.957 107.750 108.800 -0.155 0.000 2.418 188 G HA2 -0.274 3.687 3.960 0.000 0.000 0.217 188 G HA3 -0.274 3.687 3.960 0.000 0.000 0.217 188 G C 1.305 176.167 174.900 -0.062 0.000 1.158 188 G CA 0.866 45.912 45.100 -0.090 0.000 0.771 188 G HN 0.516 nan 8.290 nan 0.000 0.545 189 E N -0.215 119.957 120.200 -0.046 0.000 2.077 189 E HA -0.082 4.268 4.350 0.000 0.000 0.193 189 E C 2.701 179.298 176.600 -0.004 0.000 0.989 189 E CA 0.949 57.341 56.400 -0.013 0.000 0.800 189 E CB -0.107 29.596 29.700 0.006 0.000 0.746 189 E HN 0.295 nan 8.360 nan 0.000 0.452 190 V N 1.314 121.214 119.914 -0.023 0.000 2.427 190 V HA -0.241 3.879 4.120 0.000 0.000 0.248 190 V C 2.301 178.404 176.094 0.015 0.000 1.051 190 V CA 1.642 63.955 62.300 0.021 0.000 1.048 190 V CB -0.351 31.488 31.823 0.027 0.000 0.666 190 V HN 0.188 nan 8.190 nan 0.000 0.456 191 K N 0.891 121.266 120.400 -0.042 0.000 2.103 191 K HA -0.235 4.085 4.320 0.000 0.000 0.207 191 K C 2.127 178.716 176.600 -0.018 0.000 1.048 191 K CA 1.718 57.978 56.287 -0.045 0.000 0.930 191 K CB -0.065 32.387 32.500 -0.081 0.000 0.716 191 K HN 0.638 nan 8.250 nan 0.000 0.444 192 K N -0.502 119.894 120.400 -0.007 0.000 2.296 192 K HA -0.068 4.252 4.320 0.000 0.000 0.200 192 K C 1.848 178.467 176.600 0.033 0.000 1.048 192 K CA 0.646 56.938 56.287 0.009 0.000 0.966 192 K CB 0.007 32.510 32.500 0.005 0.000 0.754 192 K HN 0.032 nan 8.250 nan 0.000 0.466 193 R N 0.571 121.098 120.500 0.045 0.000 2.240 193 R HA 0.206 4.546 4.340 0.000 0.000 0.203 193 R C 1.940 178.281 176.300 0.068 0.000 1.011 193 R CA 0.373 56.511 56.100 0.063 0.000 1.007 193 R CB -0.013 30.337 30.300 0.083 0.000 0.911 193 R HN 0.222 nan 8.270 nan 0.000 0.468 194 I N 0.402 121.010 120.570 0.063 0.000 2.584 194 I HA -0.136 4.035 4.170 0.000 0.000 0.255 194 I C 1.081 177.252 176.117 0.089 0.000 1.145 194 I CA 0.437 61.756 61.300 0.031 0.000 1.462 194 I CB 0.016 38.035 38.000 0.032 0.000 1.102 194 I HN 0.005 nan 8.210 nan 0.000 0.433 195 N N 1.362 120.121 118.700 0.097 0.000 2.683 195 N HA 0.030 4.771 4.740 0.000 0.000 0.256 195 N C -0.903 174.825 175.510 0.362 0.000 1.270 195 N CA 0.244 53.401 53.050 0.179 0.000 0.954 195 N CB -0.175 38.335 38.487 0.038 0.000 1.289 195 N HN -0.078 nan 8.380 nan 0.000 0.508 196 V N 1.617 121.711 119.914 0.300 0.000 2.483 196 V HA 0.282 4.402 4.120 0.000 0.000 0.297 196 V C 0.025 175.868 176.094 -0.419 0.000 1.027 196 V CA -1.153 61.165 62.300 0.030 0.000 0.855 196 V CB 1.815 33.621 31.823 -0.028 0.000 0.995 196 V HN 0.130 nan 8.190 nan 0.000 0.424 197 L N 9.048 129.794 121.223 -0.795 0.000 2.462 197 L HA 0.351 4.692 4.340 0.000 0.000 0.272 197 L C -1.421 175.107 176.870 -0.570 0.000 1.166 197 L CA -0.228 53.879 54.840 -1.222 0.000 0.880 197 L CB 1.105 42.656 42.059 -0.848 0.000 1.142 197 L HN 0.451 nan 8.230 nan 0.000 0.473 198 P HA 0.025 nan 4.420 nan 0.000 0.268 198 P C 0.428 177.612 177.300 -0.194 0.000 1.248 198 P CA -0.020 62.924 63.100 -0.259 0.000 0.851 198 P CB 0.469 32.038 31.700 -0.217 0.000 1.238 199 L N 0.768 121.860 121.223 -0.218 0.000 2.525 199 L HA 0.183 4.523 4.340 0.000 0.000 0.278 199 L C 1.232 178.057 176.870 -0.075 0.000 1.218 199 L CA 1.774 56.537 54.840 -0.129 0.000 0.878 199 L CB -0.396 41.612 42.059 -0.085 0.000 1.127 199 L HN 0.343 nan 8.230 nan 0.000 0.492 200 G N 2.365 111.139 108.800 -0.043 0.000 2.130 200 G HA2 -0.225 3.735 3.960 0.000 0.000 0.216 200 G HA3 -0.225 3.735 3.960 0.000 0.000 0.216 200 G C 0.605 175.489 174.900 -0.026 0.000 0.999 200 G CA 0.258 45.365 45.100 0.012 0.000 0.686 200 G HN 0.643 nan 8.290 nan 0.000 0.515 201 S N -0.450 115.215 115.700 -0.057 0.000 2.511 201 S HA 0.489 4.959 4.470 0.000 0.000 0.214 201 S C 1.853 176.419 174.600 -0.055 0.000 0.997 201 S CA 1.237 59.406 58.200 -0.052 0.000 0.908 201 S CB 0.387 63.553 63.200 -0.057 0.000 0.803 201 S HN 2.257 nan 8.310 nan 0.000 0.504 202 G N 1.767 110.521 108.800 -0.077 0.000 2.569 202 G HA2 -0.192 3.768 3.960 0.000 0.000 0.259 202 G HA3 -0.192 3.768 3.960 0.000 0.000 0.259 202 G C 0.851 175.688 174.900 -0.106 0.000 1.263 202 G CA -0.066 44.978 45.100 -0.092 0.000 0.928 202 G HN 0.668 nan 8.290 nan 0.000 0.572 203 A N -1.015 121.747 122.820 -0.095 0.000 2.016 203 A HA 0.491 4.812 4.320 0.000 0.000 0.217 203 A C 2.148 179.697 177.584 -0.058 0.000 1.162 203 A CA 3.073 55.049 52.037 -0.101 0.000 0.662 203 A CB -0.355 18.597 19.000 -0.080 0.000 0.812 203 A HN 2.205 nan 8.150 nan 0.000 0.450 204 L N -7.137 114.066 121.223 -0.034 0.000 2.683 204 L HA 0.357 4.698 4.340 0.000 0.000 0.312 204 L C 1.457 178.323 176.870 -0.006 0.000 1.110 204 L CA 0.579 55.416 54.840 -0.005 0.000 1.560 204 L CB -0.507 41.563 42.059 0.018 0.000 2.641 204 L HN 0.006 nan 8.230 nan 0.000 0.526 205 A N 1.140 123.953 122.820 -0.011 0.000 2.275 205 A HA 0.709 5.029 4.320 0.000 0.000 0.212 205 A C 1.200 178.776 177.584 -0.013 0.000 1.201 205 A CA 0.868 52.900 52.037 -0.009 0.000 0.843 205 A CB -0.500 18.496 19.000 -0.008 0.000 0.873 205 A HN 1.360 nan 8.150 nan 0.000 0.492 206 G N -0.364 108.424 108.800 -0.019 0.000 2.434 206 G HA2 -0.107 3.853 3.960 0.000 0.000 0.671 206 G HA3 -0.107 3.853 3.960 0.000 0.000 0.671 206 G C -0.679 174.210 174.900 -0.019 0.000 1.280 206 G CA -0.299 44.790 45.100 -0.019 0.000 0.975 206 G HN 0.513 nan 8.290 nan 0.000 0.510 207 N N 1.215 119.910 118.700 -0.008 0.000 2.472 207 N HA 0.409 5.149 4.740 0.000 0.000 0.277 207 N C -0.764 174.748 175.510 0.003 0.000 1.081 207 N CA -1.042 52.013 53.050 0.008 0.000 0.973 207 N CB 1.763 40.275 38.487 0.041 0.000 1.105 207 N HN 0.376 nan 8.380 nan 0.000 0.470 208 P HA 0.108 nan 4.420 nan 0.000 0.249 208 P C 0.571 177.869 177.300 -0.004 0.000 1.229 208 P CA 0.457 63.555 63.100 -0.004 0.000 0.788 208 P CB 0.448 32.144 31.700 -0.008 0.000 1.072 209 L N -0.447 120.775 121.223 -0.001 0.000 2.818 209 L HA 0.250 4.590 4.340 0.000 0.000 0.243 209 L C 0.268 177.125 176.870 -0.022 0.000 1.185 209 L CA -0.165 54.667 54.840 -0.013 0.000 0.988 209 L CB -0.746 41.301 42.059 -0.020 0.000 1.292 209 L HN -0.082 nan 8.230 nan 0.000 0.519 210 D N 1.217 121.609 120.400 -0.015 0.000 2.772 210 D HA -0.242 4.398 4.640 0.000 0.000 0.233 210 D C 0.152 176.435 176.300 -0.028 0.000 1.143 210 D CA 0.369 54.358 54.000 -0.018 0.000 0.700 210 D CB -0.694 40.095 40.800 -0.018 0.000 1.076 210 D HN 0.195 nan 8.370 nan 0.000 0.430 211 I N 0.889 121.442 120.570 -0.028 0.000 2.815 211 I HA 0.018 4.188 4.170 0.000 0.000 0.291 211 I C 0.502 176.598 176.117 -0.034 0.000 1.209 211 I CA 0.201 61.470 61.300 -0.052 0.000 1.431 211 I CB 0.531 38.511 38.000 -0.034 0.000 1.351 211 I HN 0.069 nan 8.210 nan 0.000 0.585 212 D N 7.190 127.562 120.400 -0.046 0.000 2.359 212 D HA 0.091 4.731 4.640 0.000 0.000 0.250 212 D C 0.949 177.240 176.300 -0.015 0.000 1.264 212 D CA 0.122 54.106 54.000 -0.028 0.000 0.911 212 D CB 0.485 41.267 40.800 -0.030 0.000 1.056 212 D HN 0.501 nan 8.370 nan 0.000 0.499 213 R N 2.493 122.987 120.500 -0.009 0.000 2.193 213 R HA -0.096 4.244 4.340 0.000 0.000 0.213 213 R C 1.511 177.809 176.300 -0.004 0.000 1.055 213 R CA 0.514 56.610 56.100 -0.006 0.000 0.995 213 R CB 0.265 30.554 30.300 -0.018 0.000 0.893 213 R HN 0.358 nan 8.270 nan 0.000 0.459 214 E N 1.641 121.840 120.200 -0.002 0.000 2.072 214 E HA -0.164 4.186 4.350 0.000 0.000 0.190 214 E C 1.899 178.508 176.600 0.015 0.000 0.982 214 E CA 1.191 57.594 56.400 0.005 0.000 0.803 214 E CB -0.099 29.602 29.700 0.002 0.000 0.755 214 E HN 0.195 nan 8.360 nan 0.000 0.453 215 M N -0.436 119.170 119.600 0.009 0.000 2.159 215 M HA -0.129 4.352 4.480 0.000 0.000 0.263 215 M C 1.416 177.734 176.300 0.030 0.000 1.063 215 M CA 1.144 56.452 55.300 0.012 0.000 1.110 215 M CB -0.037 32.561 32.600 -0.003 0.000 1.374 215 M HN 0.269 nan 8.290 nan 0.000 0.411 216 L N 0.794 122.038 121.223 0.034 0.000 2.017 216 L HA -0.180 4.160 4.340 0.000 0.000 0.208 216 L C 2.692 179.617 176.870 0.092 0.000 1.073 216 L CA 1.913 56.791 54.840 0.062 0.000 0.745 216 L CB -1.211 40.880 42.059 0.054 0.000 0.894 216 L HN 0.396 nan 8.230 nan 0.000 0.432 217 R N -0.591 119.953 120.500 0.073 0.000 2.080 217 R HA -0.178 4.162 4.340 0.000 0.000 0.236 217 R C 2.407 178.797 176.300 0.150 0.000 1.137 217 R CA 2.060 58.238 56.100 0.130 0.000 0.943 217 R CB -0.300 30.045 30.300 0.074 0.000 0.846 217 R HN 0.561 nan 8.270 nan 0.000 0.431 218 S N -0.165 115.585 115.700 0.084 0.000 2.402 218 S HA -0.138 4.332 4.470 0.000 0.000 0.229 218 S C 1.825 176.457 174.600 0.054 0.000 1.021 218 S CA 1.260 59.495 58.200 0.059 0.000 0.974 218 S CB -0.114 63.107 63.200 0.034 0.000 0.800 218 S HN 0.407 nan 8.310 nan 0.000 0.484 219 E N 1.454 121.692 120.200 0.064 0.000 2.150 219 E HA 0.077 4.428 4.350 0.000 0.000 0.193 219 E C 1.600 178.239 176.600 0.065 0.000 0.985 219 E CA 1.017 57.451 56.400 0.056 0.000 0.814 219 E CB -0.382 29.353 29.700 0.058 0.000 0.752 219 E HN 0.657 nan 8.360 nan 0.000 0.466 220 L N -0.134 121.157 121.223 0.115 0.000 2.607 220 L HA 0.222 4.562 4.340 0.000 0.000 0.228 220 L C 0.109 176.963 176.870 -0.027 0.000 1.123 220 L CA 0.268 55.172 54.840 0.107 0.000 0.890 220 L CB -0.039 42.202 42.059 0.303 0.000 1.103 220 L HN 0.086 nan 8.230 nan 0.000 0.468 221 E N -1.229 118.977 120.200 0.009 0.000 3.181 221 E HA -0.227 4.123 4.350 0.000 0.000 0.293 221 E C -0.102 176.432 176.600 -0.111 0.000 0.936 221 E CA 0.174 56.536 56.400 -0.063 0.000 0.975 221 E CB -1.548 28.081 29.700 -0.120 0.000 1.496 221 E HN 0.256 nan 8.360 nan 0.000 0.429 222 F N -0.051 119.884 119.950 -0.026 0.000 2.440 222 F HA 0.278 4.805 4.527 0.000 0.000 0.323 222 F C 1.738 177.522 175.800 -0.027 0.000 1.192 222 F CA 0.571 58.551 58.000 -0.033 0.000 1.252 222 F CB 0.511 39.490 39.000 -0.035 0.000 1.214 222 F HN 0.019 nan 8.300 nan 0.000 0.578 223 A N 0.665 123.591 122.820 0.177 0.000 1.975 223 A HA 0.175 4.496 4.320 0.000 0.000 0.215 223 A C 0.709 178.342 177.584 0.082 0.000 1.170 223 A CA 1.283 53.373 52.037 0.088 0.000 0.656 223 A CB -0.437 18.596 19.000 0.054 0.000 0.821 223 A HN 0.666 nan 8.150 nan 0.000 0.449 224 S N -1.722 114.035 115.700 0.095 0.000 2.790 224 S HA 0.676 5.146 4.470 0.000 0.000 0.292 224 S C -0.661 173.935 174.600 -0.006 0.000 1.197 224 S CA -0.245 57.978 58.200 0.039 0.000 0.851 224 S CB 0.528 63.741 63.200 0.021 0.000 1.217 224 S HN 0.884 nan 8.310 nan 0.000 0.526 225 I N -0.254 120.293 120.570 -0.037 0.000 2.646 225 I HA 0.728 4.899 4.170 0.000 0.000 0.299 225 I C 0.017 176.086 176.117 -0.080 0.000 1.036 225 I CA -0.883 60.363 61.300 -0.090 0.000 1.074 225 I CB 2.148 40.105 38.000 -0.070 0.000 1.258 225 I HN 0.824 nan 8.210 nan 0.000 0.430 226 S N 5.018 120.650 115.700 -0.113 0.000 2.552 226 S HA 0.170 4.640 4.470 0.000 0.000 0.289 226 S C 0.827 175.398 174.600 -0.047 0.000 1.304 226 S CA -0.507 57.646 58.200 -0.079 0.000 1.063 226 S CB 0.819 63.962 63.200 -0.095 0.000 0.848 226 S HN 0.718 nan 8.310 nan 0.000 0.499 227 L N 1.259 122.465 121.223 -0.027 0.000 2.209 227 L HA 0.167 4.507 4.340 0.000 0.000 0.207 227 L C 1.040 177.902 176.870 -0.013 0.000 1.094 227 L CA 0.701 55.532 54.840 -0.016 0.000 0.790 227 L CB -0.610 41.445 42.059 -0.007 0.000 0.932 227 L HN 0.783 nan 8.230 nan 0.000 0.447 228 N N -1.160 117.533 118.700 -0.011 0.000 2.430 228 N HA 0.067 4.807 4.740 0.000 0.000 0.290 228 N C 0.824 176.330 175.510 -0.007 0.000 1.063 228 N CA 0.064 53.111 53.050 -0.006 0.000 0.883 228 N CB 1.475 39.963 38.487 0.002 0.000 1.465 228 N HN -0.025 nan 8.380 nan 0.000 0.493 229 S N 3.549 119.243 115.700 -0.010 0.000 2.382 229 S HA -0.212 4.259 4.470 0.000 0.000 0.228 229 S C 1.644 176.245 174.600 0.002 0.000 1.027 229 S CA 0.931 59.123 58.200 -0.012 0.000 0.991 229 S CB -0.311 62.880 63.200 -0.016 0.000 0.823 229 S HN 0.677 nan 8.310 nan 0.000 0.469 230 M N 1.522 121.127 119.600 0.009 0.000 2.099 230 M HA -0.062 4.418 4.480 0.000 0.000 0.262 230 M C 2.269 178.588 176.300 0.032 0.000 1.067 230 M CA 2.059 57.372 55.300 0.022 0.000 1.124 230 M CB -0.614 31.997 32.600 0.019 0.000 1.353 230 M HN 0.409 nan 8.290 nan 0.000 0.410 231 D N 0.444 120.859 120.400 0.026 0.000 2.092 231 D HA -0.154 4.486 4.640 0.000 0.000 0.193 231 D C 1.883 178.212 176.300 0.049 0.000 0.994 231 D CA 1.936 55.957 54.000 0.036 0.000 0.828 231 D CB 0.022 40.839 40.800 0.028 0.000 0.963 231 D HN 0.269 nan 8.370 nan 0.000 0.450 232 A N 0.098 122.935 122.820 0.028 0.000 1.986 232 A HA -0.150 4.170 4.320 0.000 0.000 0.220 232 A C 2.189 179.801 177.584 0.046 0.000 1.171 232 A CA 1.255 53.305 52.037 0.020 0.000 0.640 232 A CB -0.613 18.371 19.000 -0.027 0.000 0.811 232 A HN 0.396 nan 8.150 nan 0.000 0.451 233 I N 0.053 120.654 120.570 0.051 0.000 2.480 233 I HA -0.081 4.089 4.170 0.000 0.000 0.251 233 I C 2.418 178.628 176.117 0.157 0.000 1.124 233 I CA 1.873 63.222 61.300 0.080 0.000 1.444 233 I CB -0.971 37.062 38.000 0.056 0.000 1.098 233 I HN 0.494 nan 8.210 nan 0.000 0.428 234 S N 0.096 115.871 115.700 0.125 0.000 2.511 234 S HA 0.057 4.527 4.470 0.000 0.000 0.214 234 S C 0.603 175.253 174.600 0.083 0.000 0.997 234 S CA -0.490 57.776 58.200 0.111 0.000 0.908 234 S CB -0.314 62.928 63.200 0.069 0.000 0.803 234 S HN 0.485 nan 8.310 nan 0.000 0.504 235 E N 1.446 121.710 120.200 0.106 0.000 2.331 235 E HA 0.413 4.763 4.350 0.000 0.000 0.272 235 E C 0.131 176.806 176.600 0.125 0.000 1.036 235 E CA -0.707 55.753 56.400 0.100 0.000 0.864 235 E CB 0.530 30.299 29.700 0.115 0.000 1.035 235 E HN -0.065 nan 8.360 nan 0.000 0.408 236 R N 2.807 123.295 120.500 -0.020 0.000 2.690 236 R HA 0.134 4.474 4.340 0.000 0.000 0.419 236 R C -0.473 175.641 176.300 -0.310 0.000 1.090 236 R CA -0.216 55.709 56.100 -0.292 0.000 1.064 236 R CB 0.022 30.156 30.300 -0.276 0.000 1.391 236 R HN 0.659 nan 8.270 nan 0.000 0.586 237 D N 0.690 121.054 120.400 -0.059 0.000 2.104 237 D HA -0.190 4.450 4.640 0.000 0.000 0.194 237 D C 1.621 177.940 176.300 0.031 0.000 0.994 237 D CA 1.453 55.464 54.000 0.017 0.000 0.830 237 D CB -0.194 40.670 40.800 0.108 0.000 0.959 237 D HN 0.348 nan 8.370 nan 0.000 0.452 238 F N -0.277 119.719 119.950 0.076 0.000 2.202 238 F HA -0.132 4.395 4.527 0.001 0.000 0.301 238 F C 1.962 177.851 175.800 0.147 0.000 1.082 238 F CA 0.585 58.644 58.000 0.099 0.000 1.313 238 F CB -0.952 38.096 39.000 0.080 0.000 1.024 238 F HN -0.145 nan 8.300 nan 0.000 0.495 239 V N 0.515 120.054 119.914 -0.626 0.000 2.346 239 V HA -0.190 3.930 4.120 0.000 0.000 0.244 239 V C 2.544 178.623 176.094 -0.026 0.000 1.037 239 V CA 1.464 63.584 62.300 -0.301 0.000 1.029 239 V CB -0.452 31.068 31.823 -0.504 0.000 0.663 239 V HN 0.349 nan 8.190 nan 0.000 0.454 240 V N -0.129 119.735 119.914 -0.083 0.000 2.295 240 V HA -0.267 3.854 4.120 0.000 0.000 0.246 240 V C 2.455 178.579 176.094 0.050 0.000 1.049 240 V CA 2.056 64.344 62.300 -0.020 0.000 1.024 240 V CB -0.642 31.159 31.823 -0.035 0.000 0.648 240 V HN 0.588 nan 8.190 nan 0.000 0.447 241 E N -0.539 119.717 120.200 0.092 0.000 2.058 241 E HA -0.269 4.081 4.350 0.000 0.000 0.194 241 E C 2.084 178.822 176.600 0.229 0.000 0.997 241 E CA 1.834 58.321 56.400 0.145 0.000 0.801 241 E CB -0.270 29.527 29.700 0.163 0.000 0.746 241 E HN 0.614 nan 8.360 nan 0.000 0.450 242 F N 1.436 121.472 119.950 0.143 0.000 2.095 242 F HA -0.223 4.304 4.527 0.000 0.000 0.298 242 F C 1.935 177.890 175.800 0.257 0.000 1.104 242 F CA 1.025 59.168 58.000 0.239 0.000 1.232 242 F CB -0.222 38.900 39.000 0.204 0.000 0.987 242 F HN -0.032 nan 8.300 nan 0.000 0.475 243 L N 0.052 121.237 121.223 -0.064 0.000 2.046 243 L HA -0.166 4.174 4.340 0.000 0.000 0.208 243 L C 2.652 179.427 176.870 -0.157 0.000 1.077 243 L CA 1.752 56.464 54.840 -0.213 0.000 0.747 243 L CB -1.763 40.253 42.059 -0.072 0.000 0.896 243 L HN 0.150 nan 8.230 nan 0.000 0.432 244 S N -0.555 115.124 115.700 -0.035 0.000 2.368 244 S HA -0.208 4.263 4.470 0.000 0.000 0.225 244 S C 1.849 176.428 174.600 -0.035 0.000 1.030 244 S CA 1.421 59.613 58.200 -0.014 0.000 0.999 244 S CB -0.489 62.734 63.200 0.038 0.000 0.844 244 S HN 0.498 nan 8.310 nan 0.000 0.459 245 F N 2.804 122.689 119.950 -0.109 0.000 2.075 245 F HA -0.055 4.472 4.527 0.001 0.000 0.297 245 F C 2.274 177.972 175.800 -0.169 0.000 1.113 245 F CA 1.149 59.089 58.000 -0.100 0.000 1.218 245 F CB -0.977 38.001 39.000 -0.037 0.000 0.984 245 F HN 0.151 nan 8.300 nan 0.000 0.472 246 A N -0.054 122.211 122.820 -0.924 0.000 1.940 246 A HA -0.164 4.156 4.320 0.000 0.000 0.219 246 A C 2.186 179.427 177.584 -0.572 0.000 1.176 246 A CA 2.331 53.778 52.037 -0.983 0.000 0.631 246 A CB -1.517 16.996 19.000 -0.811 0.000 0.814 246 A HN 0.522 nan 8.150 nan 0.000 0.446 247 T N -0.218 114.112 114.554 -0.373 0.000 2.770 247 T HA -0.082 4.268 4.350 0.000 0.000 0.263 247 T C 1.812 176.348 174.700 -0.272 0.000 1.039 247 T CA 1.400 63.364 62.100 -0.226 0.000 1.142 247 T CB -0.295 68.526 68.868 -0.080 0.000 0.868 247 T HN 0.284 nan 8.240 nan 0.000 0.435 248 L N 1.458 122.499 121.223 -0.303 0.000 2.093 248 L HA 0.098 4.438 4.340 0.000 0.000 0.208 248 L C 2.098 178.653 176.870 -0.525 0.000 1.085 248 L CA 1.301 55.914 54.840 -0.378 0.000 0.755 248 L CB -0.987 40.902 42.059 -0.283 0.000 0.904 248 L HN 0.182 nan 8.230 nan 0.000 0.435 249 L N -0.891 120.056 121.223 -0.460 0.000 2.012 249 L HA -0.214 4.126 4.340 0.000 0.000 0.210 249 L C 2.275 178.991 176.870 -0.256 0.000 1.073 249 L CA 1.978 56.609 54.840 -0.348 0.000 0.748 249 L CB -0.667 41.073 42.059 -0.532 0.000 0.891 249 L HN 0.238 nan 8.230 nan 0.000 0.431 250 M N -0.707 118.729 119.600 -0.273 0.000 2.213 250 M HA -0.159 4.321 4.480 0.000 0.000 0.263 250 M C 2.287 178.489 176.300 -0.162 0.000 1.062 250 M CA 1.233 56.424 55.300 -0.182 0.000 1.105 250 M CB -1.069 31.435 32.600 -0.159 0.000 1.385 250 M HN 0.270 nan 8.290 nan 0.000 0.417 251 I N -0.511 119.922 120.570 -0.228 0.000 2.163 251 I HA -0.309 3.861 4.170 0.000 0.000 0.243 251 I C 2.300 178.356 176.117 -0.101 0.000 1.085 251 I CA 1.737 62.917 61.300 -0.201 0.000 1.347 251 I CB -1.553 36.278 38.000 -0.281 0.000 1.044 251 I HN 0.414 nan 8.210 nan 0.000 0.408 252 H N 0.391 119.412 119.070 -0.082 0.000 2.319 252 H HA -0.128 4.428 4.556 0.000 0.000 0.299 252 H C 2.395 177.676 175.328 -0.079 0.000 1.092 252 H CA 0.972 56.988 56.048 -0.052 0.000 1.302 252 H CB -0.042 29.693 29.762 -0.045 0.000 1.373 252 H HN 0.222 nan 8.280 nan 0.000 0.497 253 L N 0.488 121.722 121.223 0.019 0.000 2.201 253 L HA -0.153 4.187 4.340 0.000 0.000 0.212 253 L C 2.664 179.481 176.870 -0.089 0.000 1.105 253 L CA 1.139 55.940 54.840 -0.065 0.000 0.775 253 L CB -0.345 41.670 42.059 -0.074 0.000 0.913 253 L HN 0.385 nan 8.230 nan 0.000 0.440 254 S N -0.417 115.239 115.700 -0.074 0.000 2.414 254 S HA -0.198 4.272 4.470 0.000 0.000 0.227 254 S C 2.000 176.557 174.600 -0.072 0.000 1.022 254 S CA 0.817 58.971 58.200 -0.078 0.000 0.958 254 S CB -0.143 63.009 63.200 -0.080 0.000 0.797 254 S HN 0.381 nan 8.310 nan 0.000 0.493 255 K N 0.666 121.041 120.400 -0.041 0.000 2.103 255 K HA 0.065 4.385 4.320 0.000 0.000 0.204 255 K C 2.335 178.903 176.600 -0.052 0.000 1.052 255 K CA 1.155 57.439 56.287 -0.005 0.000 0.945 255 K CB -0.267 32.283 32.500 0.083 0.000 0.722 255 K HN 0.490 nan 8.250 nan 0.000 0.443 256 M N 0.248 119.731 119.600 -0.194 0.000 2.156 256 M HA -0.081 4.400 4.480 0.000 0.000 0.264 256 M C 2.024 178.175 176.300 -0.249 0.000 1.067 256 M CA 1.553 56.568 55.300 -0.475 0.000 1.131 256 M CB -0.066 32.108 32.600 -0.711 0.000 1.368 256 M HN 0.247 nan 8.290 nan 0.000 0.416 257 A N 0.036 122.749 122.820 -0.178 0.000 1.902 257 A HA -0.236 4.084 4.320 0.000 0.000 0.217 257 A C 1.833 179.333 177.584 -0.141 0.000 1.181 257 A CA 2.164 54.120 52.037 -0.135 0.000 0.623 257 A CB -0.833 18.104 19.000 -0.106 0.000 0.818 257 A HN 0.639 nan 8.150 nan 0.000 0.443 258 E N 0.497 120.614 120.200 -0.138 0.000 2.077 258 E HA -0.192 4.158 4.350 0.000 0.000 0.193 258 E C 1.440 177.891 176.600 -0.249 0.000 0.989 258 E CA 1.699 58.005 56.400 -0.157 0.000 0.800 258 E CB -0.245 29.386 29.700 -0.115 0.000 0.746 258 E HN 0.534 nan 8.360 nan 0.000 0.452 259 D N -0.326 119.923 120.400 -0.252 0.000 2.092 259 D HA -0.150 4.490 4.640 0.000 0.000 0.193 259 D C 1.829 177.675 176.300 -0.757 0.000 0.994 259 D CA 0.903 54.604 54.000 -0.498 0.000 0.828 259 D CB -0.187 40.545 40.800 -0.113 0.000 0.963 259 D HN 0.185 nan 8.370 nan 0.000 0.450 260 L N 0.940 121.969 121.223 -0.324 0.000 2.017 260 L HA -0.082 4.258 4.340 0.000 0.000 0.208 260 L C 2.549 179.330 176.870 -0.149 0.000 1.073 260 L CA 0.973 55.730 54.840 -0.139 0.000 0.745 260 L CB -1.082 40.976 42.059 -0.002 0.000 0.894 260 L HN 0.097 nan 8.230 nan 0.000 0.432 261 I N -0.820 119.648 120.570 -0.169 0.000 2.151 261 I HA -0.381 3.789 4.170 0.000 0.000 0.243 261 I C 2.481 178.470 176.117 -0.213 0.000 1.080 261 I CA 1.502 62.715 61.300 -0.146 0.000 1.339 261 I CB -0.235 37.684 38.000 -0.134 0.000 1.039 261 I HN 0.208 nan 8.210 nan 0.000 0.409 262 I N -0.389 119.964 120.570 -0.361 0.000 2.142 262 I HA -0.329 3.841 4.170 0.000 0.000 0.240 262 I C 2.493 178.230 176.117 -0.633 0.000 1.078 262 I CA 1.457 62.409 61.300 -0.581 0.000 1.343 262 I CB -0.500 37.037 38.000 -0.772 0.000 1.046 262 I HN 0.175 nan 8.210 nan 0.000 0.405 263 Y N 0.968 120.928 120.300 -0.566 0.000 2.315 263 Y HA -0.198 4.353 4.550 0.000 0.000 0.288 263 Y C 2.900 178.713 175.900 -0.144 0.000 1.154 263 Y CA 1.104 58.999 58.100 -0.341 0.000 1.229 263 Y CB -1.337 37.118 38.460 -0.008 0.000 0.980 263 Y HN 0.319 nan 8.280 nan 0.000 0.540 264 S N -0.974 114.743 115.700 0.028 0.000 2.593 264 S HA 0.016 4.486 4.470 0.000 0.000 0.217 264 S C 0.876 175.478 174.600 0.003 0.000 0.966 264 S CA -0.007 58.214 58.200 0.035 0.000 0.914 264 S CB -1.152 62.067 63.200 0.030 0.000 0.776 264 S HN 0.387 nan 8.310 nan 0.000 0.523 265 T N 0.641 115.172 114.554 -0.039 0.000 2.900 265 T HA 0.294 4.645 4.350 0.000 0.000 0.307 265 T C 1.422 176.149 174.700 0.045 0.000 1.065 265 T CA 0.022 62.118 62.100 -0.007 0.000 1.105 265 T CB 1.218 70.082 68.868 -0.007 0.000 0.979 265 T HN 0.336 nan 8.240 nan 0.000 0.544 266 S N 1.033 116.755 115.700 0.037 0.000 2.399 266 S HA -0.156 4.314 4.470 0.000 0.000 0.231 266 S C 1.556 176.181 174.600 0.041 0.000 1.022 266 S CA 0.946 59.166 58.200 0.034 0.000 0.983 266 S CB -0.604 62.609 63.200 0.021 0.000 0.803 266 S HN 0.787 nan 8.310 nan 0.000 0.480 267 E N 1.430 121.670 120.200 0.065 0.000 2.013 267 E HA -0.036 4.314 4.350 0.000 0.000 0.202 267 E C 1.640 178.236 176.600 -0.006 0.000 1.018 267 E CA 1.699 58.129 56.400 0.050 0.000 0.834 267 E CB -0.773 29.000 29.700 0.122 0.000 0.770 267 E HN 0.571 nan 8.360 nan 0.000 0.459 268 F N -0.559 119.254 119.950 -0.229 0.000 2.069 268 F HA -0.037 4.490 4.527 0.000 0.000 0.298 268 F C 2.235 177.847 175.800 -0.314 0.000 1.113 268 F CA 1.624 59.333 58.000 -0.484 0.000 1.214 268 F CB -0.870 37.690 39.000 -0.732 0.000 0.978 268 F HN 0.287 nan 8.300 nan 0.000 0.474 269 G N -1.328 107.505 108.800 0.055 0.000 2.189 269 G HA2 -0.339 3.622 3.960 0.000 0.000 0.267 269 G HA3 -0.339 3.622 3.960 0.000 0.000 0.267 269 G C 1.168 176.194 174.900 0.210 0.000 0.975 269 G CA 0.471 45.632 45.100 0.101 0.000 0.644 269 G HN 0.243 nan 8.290 nan 0.000 0.537 270 F N -0.038 119.909 119.950 -0.004 0.000 2.154 270 F HA 0.211 4.739 4.527 0.001 0.000 0.301 270 F C 1.635 177.334 175.800 -0.167 0.000 1.087 270 F CA 1.580 59.493 58.000 -0.144 0.000 1.274 270 F CB -0.709 38.142 39.000 -0.249 0.000 1.009 270 F HN 0.609 nan 8.300 nan 0.000 0.485 271 L N -4.169 117.132 121.223 0.131 0.000 2.940 271 L HA 0.686 5.026 4.340 0.000 0.000 0.270 271 L C -0.707 176.207 176.870 0.072 0.000 1.030 271 L CA -0.995 53.877 54.840 0.053 0.000 0.928 271 L CB 1.913 43.994 42.059 0.036 0.000 1.506 271 L HN -0.152 nan 8.230 nan 0.000 0.405 272 T N -0.979 113.611 114.554 0.060 0.000 2.933 272 T HA 0.796 5.146 4.350 0.000 0.000 0.305 272 T C -0.829 173.918 174.700 0.078 0.000 1.092 272 T CA -0.646 61.491 62.100 0.062 0.000 1.008 272 T CB 1.449 70.345 68.868 0.046 0.000 1.102 272 T HN 0.655 nan 8.240 nan 0.000 0.469 273 L N 2.961 124.237 121.223 0.088 0.000 2.421 273 L HA 0.588 4.928 4.340 0.000 0.000 0.263 273 L C 1.338 178.284 176.870 0.126 0.000 1.122 273 L CA -0.070 54.844 54.840 0.123 0.000 0.804 273 L CB 1.059 43.201 42.059 0.139 0.000 1.150 273 L HN 1.065 nan 8.230 nan 0.000 0.457 274 S N -0.304 115.501 115.700 0.174 0.000 2.587 274 S HA 0.026 4.496 4.470 0.000 0.000 0.260 274 S C 0.624 175.268 174.600 0.072 0.000 1.353 274 S CA -0.337 57.938 58.200 0.125 0.000 0.995 274 S CB 0.357 63.651 63.200 0.157 0.000 0.912 274 S HN 0.611 nan 8.310 nan 0.000 0.568 275 D N 0.995 121.400 120.400 0.007 0.000 2.224 275 D HA 0.004 4.645 4.640 0.000 0.000 0.205 275 D C 2.126 178.365 176.300 -0.101 0.000 0.965 275 D CA 1.408 55.391 54.000 -0.028 0.000 0.852 275 D CB -0.734 40.046 40.800 -0.033 0.000 0.947 275 D HN 0.700 nan 8.370 nan 0.000 0.494 276 A N 0.142 122.829 122.820 -0.221 0.000 2.019 276 A HA -0.106 4.214 4.320 0.000 0.000 0.219 276 A C 1.348 178.553 177.584 -0.632 0.000 1.164 276 A CA 0.824 52.568 52.037 -0.488 0.000 0.644 276 A CB -0.575 17.976 19.000 -0.748 0.000 0.805 276 A HN 0.199 nan 8.150 nan 0.000 0.449 277 F N 0.024 119.978 119.950 0.008 0.000 2.708 277 F HA 0.278 4.805 4.527 0.000 0.000 0.300 277 F C 0.735 176.537 175.800 0.004 0.000 1.118 277 F CA 0.273 58.276 58.000 0.005 0.000 1.307 277 F CB 0.425 39.430 39.000 0.008 0.000 0.986 277 F HN 0.187 nan 8.300 nan 0.000 0.522 278 S N -1.334 114.420 115.700 0.089 0.000 2.596 278 S HA 0.757 5.227 4.470 0.000 0.000 0.270 278 S C -0.471 174.142 174.600 0.022 0.000 1.155 278 S CA -0.679 57.559 58.200 0.063 0.000 0.827 278 S CB 2.040 65.280 63.200 0.067 0.000 1.130 278 S HN 0.039 nan 8.310 nan 0.000 0.467 279 T N -1.788 112.777 114.554 0.018 0.000 2.927 279 T HA 0.972 5.323 4.350 0.000 0.000 0.286 279 T C 0.296 175.000 174.700 0.006 0.000 1.040 279 T CA -0.430 61.673 62.100 0.006 0.000 1.010 279 T CB 1.222 70.093 68.868 0.005 0.000 1.177 279 T HN 1.772 nan 8.240 nan 0.000 0.546 280 G N -0.174 108.627 108.800 0.002 0.000 2.550 280 G HA2 0.571 4.531 3.960 0.000 0.000 0.293 280 G HA3 0.571 4.531 3.960 0.000 0.000 0.293 280 G C -1.279 173.621 174.900 0.000 0.000 1.402 280 G CA -0.471 44.630 45.100 0.003 0.000 0.784 280 G HN 1.361 nan 8.290 nan 0.000 0.482 281 S N -1.342 114.359 115.700 0.001 0.000 2.538 281 S HA 0.560 5.030 4.470 0.000 0.000 0.288 281 S C 1.062 175.662 174.600 0.000 0.000 1.108 281 S CA 0.399 58.599 58.200 0.000 0.000 0.971 281 S CB 1.760 64.960 63.200 0.001 0.000 1.041 281 S HN 1.781 nan 8.310 nan 0.000 0.483 282 S N 2.240 117.940 115.700 -0.001 0.000 2.537 282 S HA -0.052 4.418 4.470 0.000 0.000 0.240 282 S C 1.252 175.852 174.600 0.000 0.000 0.981 282 S CA 0.300 58.500 58.200 -0.000 0.000 0.948 282 S CB -0.612 62.588 63.200 -0.001 0.000 0.759 282 S HN 0.657 nan 8.310 nan 0.000 0.531 283 L N -0.279 120.944 121.223 0.000 0.000 2.477 283 L HA 0.433 4.773 4.340 0.000 0.000 0.220 283 L C 1.031 177.901 176.870 0.001 0.000 1.106 283 L CA 0.895 55.735 54.840 0.001 0.000 0.851 283 L CB -1.150 40.910 42.059 0.001 0.000 0.994 283 L HN 0.471 nan 8.230 nan 0.000 0.462 284 M N -0.106 119.495 119.600 0.002 0.000 3.600 284 M HA 0.213 4.693 4.480 0.000 0.000 0.397 284 M C -1.838 174.464 176.300 0.003 0.000 1.860 284 M CA -0.863 54.439 55.300 0.003 0.000 0.514 284 M CB 1.608 34.210 32.600 0.003 0.000 1.473 284 M HN -0.220 nan 8.290 nan 0.000 0.485 285 P HA -0.107 nan 4.420 nan 0.000 0.234 285 P C 0.774 178.077 177.300 0.006 0.000 1.162 285 P CA 1.038 64.140 63.100 0.004 0.000 0.759 285 P CB 0.143 31.845 31.700 0.003 0.000 0.813 286 Q N -1.226 118.578 119.800 0.006 0.000 2.247 286 Q HA 0.156 4.496 4.340 0.000 0.000 0.211 286 Q C 0.172 176.178 176.000 0.010 0.000 0.861 286 Q CA 0.496 56.303 55.803 0.008 0.000 0.949 286 Q CB 0.678 29.420 28.738 0.007 0.000 1.115 286 Q HN 0.279 nan 8.270 nan 0.000 0.507 287 K N 0.919 121.325 120.400 0.009 0.000 2.324 287 K HA 0.501 4.821 4.320 0.000 0.000 0.253 287 K C -0.432 176.175 176.600 0.012 0.000 0.932 287 K CA -0.400 55.894 56.287 0.011 0.000 0.799 287 K CB 2.330 34.834 32.500 0.008 0.000 1.154 287 K HN -0.143 nan 8.250 nan 0.000 0.425 288 K N 1.982 122.391 120.400 0.015 0.000 2.397 288 K HA 0.330 4.650 4.320 0.000 0.000 0.253 288 K C -0.741 175.869 176.600 0.017 0.000 0.932 288 K CA -0.560 55.738 56.287 0.018 0.000 0.795 288 K CB 1.877 34.393 32.500 0.028 0.000 1.159 288 K HN 0.518 nan 8.250 nan 0.000 0.424 289 N N 4.001 122.710 118.700 0.015 0.000 2.419 289 N HA 0.130 4.870 4.740 0.000 0.000 0.264 289 N C -2.227 173.296 175.510 0.021 0.000 1.031 289 N CA -1.573 51.484 53.050 0.012 0.000 0.951 289 N CB 0.909 39.401 38.487 0.008 0.000 1.101 289 N HN 0.228 nan 8.380 nan 0.000 0.488 290 P HA 0.064 nan 4.420 nan 0.000 0.232 290 P C -0.533 176.782 177.300 0.025 0.000 1.738 290 P CA -0.061 63.056 63.100 0.027 0.000 0.948 290 P CB 0.330 32.034 31.700 0.007 0.000 1.943 291 D N 1.086 121.507 120.400 0.035 0.000 2.126 291 D HA -0.201 4.439 4.640 0.000 0.000 0.190 291 D C 2.244 178.568 176.300 0.040 0.000 1.001 291 D CA 2.247 56.266 54.000 0.032 0.000 0.841 291 D CB -0.624 40.197 40.800 0.035 0.000 0.949 291 D HN 0.318 nan 8.370 nan 0.000 0.446 292 S N 0.448 116.195 115.700 0.078 0.000 2.378 292 S HA -0.240 4.230 4.470 0.000 0.000 0.229 292 S C 2.192 176.801 174.600 0.016 0.000 1.052 292 S CA 1.283 59.534 58.200 0.086 0.000 1.084 292 S CB -0.959 62.337 63.200 0.160 0.000 0.950 292 S HN 0.327 nan 8.310 nan 0.000 0.440 293 L N 1.241 122.462 121.223 -0.003 0.000 2.141 293 L HA -0.006 4.334 4.340 0.000 0.000 0.209 293 L C 2.971 179.819 176.870 -0.038 0.000 1.094 293 L CA 1.489 56.306 54.840 -0.038 0.000 0.763 293 L CB -0.607 41.424 42.059 -0.047 0.000 0.908 293 L HN 0.420 nan 8.230 nan 0.000 0.437 294 E N 0.209 120.395 120.200 -0.023 0.000 2.106 294 E HA -0.178 4.172 4.350 0.000 0.000 0.192 294 E C 2.341 178.930 176.600 -0.019 0.000 0.984 294 E CA 0.884 57.269 56.400 -0.025 0.000 0.806 294 E CB -0.039 29.651 29.700 -0.016 0.000 0.750 294 E HN 0.454 nan 8.360 nan 0.000 0.458 295 L N 0.703 121.921 121.223 -0.009 0.000 2.027 295 L HA -0.181 4.159 4.340 0.000 0.000 0.206 295 L C 2.437 179.297 176.870 -0.017 0.000 1.074 295 L CA 0.963 55.800 54.840 -0.005 0.000 0.745 295 L CB -0.306 41.760 42.059 0.010 0.000 0.898 295 L HN 0.149 nan 8.230 nan 0.000 0.433 296 I N -0.475 120.078 120.570 -0.027 0.000 2.163 296 I HA -0.352 3.819 4.170 0.000 0.000 0.243 296 I C 2.837 178.924 176.117 -0.050 0.000 1.085 296 I CA 1.364 62.638 61.300 -0.043 0.000 1.347 296 I CB -0.384 37.579 38.000 -0.062 0.000 1.044 296 I HN 0.273 nan 8.210 nan 0.000 0.408 297 R N 1.144 121.613 120.500 -0.052 0.000 2.091 297 R HA -0.192 4.148 4.340 0.000 0.000 0.238 297 R C 2.542 178.816 176.300 -0.043 0.000 1.136 297 R CA 2.096 58.163 56.100 -0.055 0.000 0.959 297 R CB -0.189 30.077 30.300 -0.057 0.000 0.856 297 R HN 0.479 nan 8.270 nan 0.000 0.437 298 S N 0.280 115.961 115.700 -0.031 0.000 2.402 298 S HA -0.051 4.419 4.470 0.000 0.000 0.229 298 S C 1.546 176.138 174.600 -0.013 0.000 1.021 298 S CA 0.688 58.877 58.200 -0.019 0.000 0.974 298 S CB -0.026 63.167 63.200 -0.012 0.000 0.800 298 S HN 0.211 nan 8.310 nan 0.000 0.484 299 K N 1.849 122.238 120.400 -0.019 0.000 2.442 299 K HA 0.259 4.580 4.320 0.000 0.000 0.198 299 K C 2.190 178.776 176.600 -0.023 0.000 1.042 299 K CA 0.921 57.198 56.287 -0.017 0.000 0.958 299 K CB -0.985 31.502 32.500 -0.022 0.000 0.766 299 K HN 0.539 nan 8.250 nan 0.000 0.474 300 A N 1.094 123.894 122.820 -0.033 0.000 1.873 300 A HA -0.056 4.264 4.320 0.000 0.000 0.215 300 A C 2.481 180.079 177.584 0.023 0.000 1.186 300 A CA 1.945 53.958 52.037 -0.040 0.000 0.616 300 A CB -1.017 17.941 19.000 -0.070 0.000 0.823 300 A HN 0.347 nan 8.150 nan 0.000 0.442 301 G N -0.708 108.113 108.800 0.036 0.000 2.421 301 G HA2 -0.254 3.706 3.960 0.000 0.000 0.216 301 G HA3 -0.254 3.706 3.960 0.000 0.000 0.216 301 G C 1.744 176.704 174.900 0.099 0.000 1.171 301 G CA 1.023 46.190 45.100 0.111 0.000 0.775 301 G HN 0.543 nan 8.290 nan 0.000 0.543 302 R N -0.113 120.409 120.500 0.037 0.000 2.083 302 R HA -0.086 4.254 4.340 0.000 0.000 0.237 302 R C 2.614 178.912 176.300 -0.004 0.000 1.137 302 R CA 1.810 57.916 56.100 0.009 0.000 0.951 302 R CB -0.430 29.872 30.300 0.003 0.000 0.851 302 R HN 0.277 nan 8.270 nan 0.000 0.434 303 V N 0.748 120.663 119.914 0.001 0.000 2.427 303 V HA -0.207 3.913 4.120 0.000 0.000 0.248 303 V C 2.020 178.113 176.094 -0.003 0.000 1.051 303 V CA 1.679 63.962 62.300 -0.028 0.000 1.048 303 V CB -0.699 31.081 31.823 -0.072 0.000 0.666 303 V HN 0.348 nan 8.190 nan 0.000 0.456 304 F N 2.456 122.345 119.950 -0.101 0.000 2.171 304 F HA -0.027 4.500 4.527 -0.000 0.000 0.300 304 F C 2.138 177.893 175.800 -0.075 0.000 1.090 304 F CA 1.460 59.403 58.000 -0.095 0.000 1.293 304 F CB -1.007 37.942 39.000 -0.086 0.000 1.013 304 F HN 0.129 nan 8.300 nan 0.000 0.486 305 G N 0.965 109.588 108.800 -0.296 0.000 2.440 305 G HA2 -0.264 3.696 3.960 0.000 0.000 0.218 305 G HA3 -0.264 3.696 3.960 0.000 0.000 0.218 305 G C 1.820 176.534 174.900 -0.309 0.000 1.154 305 G CA 0.712 45.583 45.100 -0.382 0.000 0.767 305 G HN 0.222 nan 8.290 nan 0.000 0.552 306 R N -0.181 120.203 120.500 -0.193 0.000 2.081 306 R HA 0.021 4.361 4.340 0.000 0.000 0.235 306 R C 2.470 178.671 176.300 -0.165 0.000 1.131 306 R CA 0.892 56.904 56.100 -0.147 0.000 0.960 306 R CB -1.347 28.903 30.300 -0.084 0.000 0.856 306 R HN 0.458 nan 8.270 nan 0.000 0.436 307 L N 0.963 122.079 121.223 -0.178 0.000 1.989 307 L HA -0.082 4.258 4.340 0.000 0.000 0.211 307 L C 2.206 178.956 176.870 -0.200 0.000 1.071 307 L CA 2.255 57.008 54.840 -0.145 0.000 0.749 307 L CB -0.968 41.049 42.059 -0.070 0.000 0.890 307 L HN 0.163 nan 8.230 nan 0.000 0.431 308 A N -0.749 121.844 122.820 -0.378 0.000 1.908 308 A HA -0.237 4.083 4.320 0.000 0.000 0.218 308 A C 2.522 179.969 177.584 -0.230 0.000 1.181 308 A CA 2.377 54.198 52.037 -0.361 0.000 0.627 308 A CB -1.264 17.360 19.000 -0.626 0.000 0.818 308 A HN 0.719 nan 8.150 nan 0.000 0.445 309 S N 0.116 115.683 115.700 -0.221 0.000 2.348 309 S HA -0.155 4.315 4.470 0.000 0.000 0.221 309 S C 1.851 176.374 174.600 -0.129 0.000 1.033 309 S CA 1.552 59.657 58.200 -0.159 0.000 1.010 309 S CB -0.600 62.511 63.200 -0.148 0.000 0.891 309 S HN 0.328 nan 8.310 nan 0.000 0.442 310 I N 2.234 122.728 120.570 -0.126 0.000 2.226 310 I HA -0.085 4.085 4.170 0.000 0.000 0.245 310 I C 2.569 178.627 176.117 -0.099 0.000 1.100 310 I CA 0.945 62.178 61.300 -0.112 0.000 1.374 310 I CB -1.617 36.316 38.000 -0.111 0.000 1.057 310 I HN 0.338 nan 8.210 nan 0.000 0.413 311 L N -0.246 120.920 121.223 -0.095 0.000 2.012 311 L HA -0.262 4.078 4.340 0.000 0.000 0.210 311 L C 2.714 179.542 176.870 -0.070 0.000 1.073 311 L CA 1.663 56.459 54.840 -0.074 0.000 0.748 311 L CB -0.441 41.580 42.059 -0.064 0.000 0.891 311 L HN 0.253 nan 8.230 nan 0.000 0.431 312 M N -0.877 118.676 119.600 -0.079 0.000 2.229 312 M HA -0.146 4.334 4.480 0.000 0.000 0.264 312 M C 2.070 178.329 176.300 -0.069 0.000 1.063 312 M CA 1.353 56.611 55.300 -0.069 0.000 1.114 312 M CB 0.092 32.647 32.600 -0.075 0.000 1.387 312 M HN -0.011 nan 8.290 nan 0.000 0.420 313 V N 0.897 120.764 119.914 -0.080 0.000 2.407 313 V HA -0.271 3.849 4.120 0.000 0.000 0.248 313 V C 2.238 178.285 176.094 -0.078 0.000 1.055 313 V CA 1.661 63.913 62.300 -0.081 0.000 1.049 313 V CB -0.629 31.139 31.823 -0.092 0.000 0.662 313 V HN 0.546 nan 8.190 nan 0.000 0.455 314 L N -1.077 120.101 121.223 -0.075 0.000 2.209 314 L HA 0.055 4.395 4.340 0.000 0.000 0.207 314 L C 1.435 178.273 176.870 -0.053 0.000 1.094 314 L CA 0.401 55.200 54.840 -0.067 0.000 0.790 314 L CB -0.271 41.748 42.059 -0.066 0.000 0.932 314 L HN 0.111 nan 8.230 nan 0.000 0.447 315 K N 1.153 121.524 120.400 -0.048 0.000 2.472 315 K HA 0.035 4.355 4.320 0.000 0.000 0.280 315 K C 0.994 177.571 176.600 -0.037 0.000 1.028 315 K CA 1.087 57.351 56.287 -0.038 0.000 1.045 315 K CB 0.456 32.935 32.500 -0.035 0.000 0.902 315 K HN 0.326 nan 8.250 nan 0.000 0.478 316 G N 3.361 112.143 108.800 -0.031 0.000 2.284 316 G HA2 -0.272 3.688 3.960 0.000 0.000 0.247 316 G HA3 -0.272 3.688 3.960 0.000 0.000 0.247 316 G C 0.310 175.189 174.900 -0.034 0.000 1.012 316 G CA 0.174 45.256 45.100 -0.030 0.000 0.618 316 G HN 0.532 nan 8.290 nan 0.000 0.521 317 L N 3.314 124.511 121.223 -0.043 0.000 2.499 317 L HA 0.325 4.665 4.340 0.000 0.000 0.273 317 L C -0.642 176.204 176.870 -0.040 0.000 1.195 317 L CA -1.165 53.644 54.840 -0.051 0.000 0.882 317 L CB 0.128 42.145 42.059 -0.070 0.000 1.133 317 L HN 0.212 nan 8.230 nan 0.000 0.483 318 P HA 0.238 nan 4.420 nan 0.000 0.280 318 P C -0.754 176.532 177.300 -0.022 0.000 1.272 318 P CA -0.625 62.460 63.100 -0.025 0.000 0.819 318 P CB 1.124 32.811 31.700 -0.021 0.000 1.122 319 S N -0.347 115.348 115.700 -0.008 0.000 2.576 319 S HA 0.253 4.723 4.470 0.000 0.000 0.276 319 S C 1.313 175.919 174.600 0.010 0.000 1.339 319 S CA 0.086 58.288 58.200 0.003 0.000 1.039 319 S CB 0.578 63.784 63.200 0.010 0.000 0.902 319 S HN 0.749 nan 8.310 nan 0.000 0.516 320 T N -0.044 114.528 114.554 0.031 0.000 3.499 320 T HA 0.193 4.543 4.350 0.000 0.000 0.227 320 T C 0.255 174.994 174.700 0.064 0.000 0.946 320 T CA -0.191 61.939 62.100 0.049 0.000 1.368 320 T CB -0.626 68.283 68.868 0.068 0.000 1.227 320 T HN 0.478 nan 8.240 nan 0.000 0.398 321 Y N 3.267 123.564 120.300 -0.005 0.000 2.309 321 Y HA 0.580 5.130 4.550 0.000 0.000 0.327 321 Y C -0.479 175.417 175.900 -0.008 0.000 1.172 321 Y CA -0.872 57.225 58.100 -0.006 0.000 1.280 321 Y CB 0.449 38.903 38.460 -0.010 0.000 1.234 321 Y HN 0.359 nan 8.280 nan 0.000 0.512 322 N N 4.373 122.506 118.700 -0.946 0.000 2.277 322 N HA 0.112 4.852 4.740 0.000 0.000 0.286 322 N C -0.069 174.937 175.510 -0.839 0.000 1.140 322 N CA -0.733 51.946 53.050 -0.619 0.000 0.799 322 N CB 2.076 40.381 38.487 -0.304 0.000 1.596 322 N HN 0.516 nan 8.380 nan 0.000 0.473 323 K N 1.024 121.180 120.400 -0.406 0.000 2.211 323 K HA -0.108 4.213 4.320 0.000 0.000 0.204 323 K C 0.378 176.873 176.600 -0.176 0.000 1.047 323 K CA 1.618 57.783 56.287 -0.204 0.000 0.935 323 K CB -0.127 32.345 32.500 -0.046 0.000 0.728 323 K HN 0.478 nan 8.250 nan 0.000 0.452 324 D N 0.125 120.412 120.400 -0.189 0.000 2.190 324 D HA -0.193 4.447 4.640 0.000 0.000 0.200 324 D C 1.404 177.626 176.300 -0.131 0.000 0.992 324 D CA 1.136 55.055 54.000 -0.134 0.000 0.854 324 D CB -0.129 40.595 40.800 -0.128 0.000 0.936 324 D HN 0.232 nan 8.370 nan 0.000 0.462 325 L N 0.686 121.798 121.223 -0.185 0.000 2.353 325 L HA -0.174 4.167 4.340 0.000 0.000 0.220 325 L C 2.346 179.193 176.870 -0.039 0.000 1.133 325 L CA 0.803 55.573 54.840 -0.116 0.000 0.798 325 L CB -0.734 41.252 42.059 -0.122 0.000 0.922 325 L HN 0.233 nan 8.230 nan 0.000 0.445 326 Q N -0.393 119.401 119.800 -0.011 0.000 2.437 326 Q HA -0.175 4.165 4.340 0.000 0.000 0.210 326 Q C 1.384 177.373 176.000 -0.019 0.000 0.972 326 Q CA 0.866 56.691 55.803 0.037 0.000 0.903 326 Q CB -0.165 28.623 28.738 0.082 0.000 0.967 326 Q HN 0.398 nan 8.270 nan 0.000 0.486 327 E N 1.945 122.107 120.200 -0.064 0.000 2.409 327 E HA -0.162 4.188 4.350 0.000 0.000 0.198 327 E C 1.278 177.782 176.600 -0.161 0.000 1.024 327 E CA 1.207 57.539 56.400 -0.113 0.000 0.861 327 E CB -0.003 29.634 29.700 -0.105 0.000 0.788 327 E HN 0.734 nan 8.360 nan 0.000 0.521 328 D N 1.113 121.429 120.400 -0.140 0.000 2.097 328 D HA -0.200 4.440 4.640 0.000 0.000 0.195 328 D C 1.577 177.717 176.300 -0.267 0.000 0.989 328 D CA 1.106 55.005 54.000 -0.169 0.000 0.827 328 D CB -0.413 40.306 40.800 -0.134 0.000 0.966 328 D HN 0.073 nan 8.370 nan 0.000 0.456 329 K N 0.560 120.753 120.400 -0.346 0.000 2.000 329 K HA -0.210 4.111 4.320 0.000 0.000 0.218 329 K C 2.348 178.329 176.600 -1.033 0.000 1.053 329 K CA 1.893 57.723 56.287 -0.761 0.000 0.946 329 K CB -0.311 31.850 32.500 -0.565 0.000 0.723 329 K HN 0.285 nan 8.250 nan 0.000 0.446 330 E N 0.360 120.098 120.200 -0.770 0.000 2.130 330 E HA -0.225 4.126 4.350 0.000 0.000 0.196 330 E C 2.026 178.450 176.600 -0.293 0.000 0.998 330 E CA 1.178 57.235 56.400 -0.571 0.000 0.806 330 E CB -0.162 29.193 29.700 -0.575 0.000 0.738 330 E HN 0.390 nan 8.360 nan 0.000 0.459 331 A N 0.743 123.415 122.820 -0.246 0.000 1.877 331 A HA -0.142 4.178 4.320 0.000 0.000 0.216 331 A C 2.502 180.094 177.584 0.013 0.000 1.186 331 A CA 1.238 53.212 52.037 -0.106 0.000 0.620 331 A CB -0.601 18.338 19.000 -0.103 0.000 0.822 331 A HN 0.126 nan 8.150 nan 0.000 0.443 332 V N -0.750 119.158 119.914 -0.009 0.000 2.358 332 V HA -0.245 3.876 4.120 0.000 0.000 0.246 332 V C 2.344 178.672 176.094 0.391 0.000 1.047 332 V CA 1.885 64.319 62.300 0.222 0.000 1.035 332 V CB -1.068 30.832 31.823 0.129 0.000 0.658 332 V HN 0.631 nan 8.190 nan 0.000 0.452 333 F N 0.619 120.636 119.950 0.111 0.000 2.069 333 F HA -0.259 4.268 4.527 0.000 0.000 0.298 333 F C 2.579 178.460 175.800 0.134 0.000 1.113 333 F CA 1.557 59.623 58.000 0.111 0.000 1.214 333 F CB -0.395 38.590 39.000 -0.025 0.000 0.978 333 F HN 0.276 nan 8.300 nan 0.000 0.474 334 D N 0.607 121.171 120.400 0.273 0.000 2.123 334 D HA -0.151 4.489 4.640 0.000 0.000 0.196 334 D C 2.010 178.419 176.300 0.181 0.000 0.992 334 D CA 1.157 55.259 54.000 0.170 0.000 0.833 334 D CB -0.228 40.618 40.800 0.078 0.000 0.954 334 D HN 0.041 nan 8.370 nan 0.000 0.455 335 V N -0.196 119.854 119.914 0.227 0.000 2.358 335 V HA -0.161 3.959 4.120 0.000 0.000 0.246 335 V C 2.696 178.998 176.094 0.346 0.000 1.047 335 V CA 1.130 63.568 62.300 0.231 0.000 1.035 335 V CB -0.250 31.707 31.823 0.224 0.000 0.658 335 V HN 0.137 nan 8.190 nan 0.000 0.452 336 V N 0.387 120.587 119.914 0.476 0.000 2.343 336 V HA -0.254 3.866 4.120 0.000 0.000 0.247 336 V C 2.221 178.481 176.094 0.276 0.000 1.051 336 V CA 2.253 64.809 62.300 0.426 0.000 1.036 336 V CB -0.618 31.433 31.823 0.380 0.000 0.654 336 V HN 0.575 nan 8.190 nan 0.000 0.451 337 D N -0.700 119.842 120.400 0.236 0.000 2.183 337 D HA -0.091 4.549 4.640 0.000 0.000 0.203 337 D C 2.255 178.628 176.300 0.122 0.000 0.969 337 D CA 1.420 55.516 54.000 0.160 0.000 0.842 337 D CB -0.264 40.620 40.800 0.140 0.000 0.957 337 D HN 0.378 nan 8.370 nan 0.000 0.484 338 T N 1.056 115.683 114.554 0.121 0.000 2.770 338 T HA -0.007 4.344 4.350 0.000 0.000 0.263 338 T C 2.205 176.941 174.700 0.061 0.000 1.039 338 T CA 0.470 62.614 62.100 0.073 0.000 1.142 338 T CB -0.157 68.743 68.868 0.053 0.000 0.868 338 T HN 0.098 nan 8.240 nan 0.000 0.435 339 L N 0.698 121.975 121.223 0.090 0.000 2.017 339 L HA -0.116 4.225 4.340 0.000 0.000 0.208 339 L C 2.941 179.869 176.870 0.097 0.000 1.073 339 L CA 1.257 56.146 54.840 0.081 0.000 0.745 339 L CB -1.186 40.953 42.059 0.134 0.000 0.894 339 L HN 0.288 nan 8.230 nan 0.000 0.432 340 T N 0.053 114.690 114.554 0.140 0.000 2.699 340 T HA -0.239 4.111 4.350 0.000 0.000 0.268 340 T C 1.932 176.617 174.700 -0.025 0.000 1.036 340 T CA 1.612 63.792 62.100 0.132 0.000 1.147 340 T CB -0.216 68.751 68.868 0.166 0.000 0.862 340 T HN 0.478 nan 8.240 nan 0.000 0.446 341 A N 0.645 123.467 122.820 0.003 0.000 1.854 341 A HA 0.029 4.349 4.320 0.000 0.000 0.214 341 A C 2.585 180.147 177.584 -0.038 0.000 1.192 341 A CA 1.111 53.133 52.037 -0.024 0.000 0.611 341 A CB -0.922 18.086 19.000 0.013 0.000 0.832 341 A HN 0.334 nan 8.150 nan 0.000 0.442 342 V N 0.339 120.241 119.914 -0.019 0.000 2.407 342 V HA -0.249 3.871 4.120 0.000 0.000 0.248 342 V C 2.558 178.620 176.094 -0.054 0.000 1.055 342 V CA 1.812 64.092 62.300 -0.033 0.000 1.049 342 V CB -0.758 31.048 31.823 -0.029 0.000 0.662 342 V HN 0.536 nan 8.190 nan 0.000 0.455 343 L N -0.713 120.483 121.223 -0.044 0.000 2.017 343 L HA -0.261 4.080 4.340 0.000 0.000 0.208 343 L C 2.710 179.528 176.870 -0.087 0.000 1.073 343 L CA 1.843 56.662 54.840 -0.037 0.000 0.745 343 L CB -0.544 41.541 42.059 0.044 0.000 0.894 343 L HN 0.357 nan 8.230 nan 0.000 0.432 344 Q N -0.797 118.903 119.800 -0.167 0.000 2.050 344 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 344 Q C 2.297 178.234 176.000 -0.104 0.000 0.980 344 Q CA 1.535 57.239 55.803 -0.165 0.000 0.840 344 Q CB -0.228 28.364 28.738 -0.245 0.000 0.898 344 Q HN 0.314 nan 8.270 nan 0.000 0.424 345 V N 0.993 120.858 119.914 -0.083 0.000 2.392 345 V HA -0.322 3.798 4.120 0.000 0.000 0.249 345 V C 2.187 178.098 176.094 -0.305 0.000 1.059 345 V CA 1.865 64.101 62.300 -0.107 0.000 1.051 345 V CB -0.937 30.875 31.823 -0.019 0.000 0.658 345 V HN 0.429 nan 8.190 nan 0.000 0.455 346 A N -0.676 122.023 122.820 -0.202 0.000 1.898 346 A HA -0.188 4.132 4.320 0.000 0.000 0.216 346 A C 2.401 179.855 177.584 -0.217 0.000 1.181 346 A CA 2.284 54.196 52.037 -0.208 0.000 0.620 346 A CB -0.905 18.015 19.000 -0.133 0.000 0.819 346 A HN 0.479 nan 8.150 nan 0.000 0.442 347 T N -0.082 114.378 114.554 -0.157 0.000 2.652 347 T HA -0.087 4.264 4.350 0.000 0.000 0.267 347 T C 1.999 176.607 174.700 -0.152 0.000 1.039 347 T CA 1.715 63.751 62.100 -0.107 0.000 1.153 347 T CB -0.782 68.060 68.868 -0.044 0.000 0.863 347 T HN 0.588 nan 8.240 nan 0.000 0.428 348 G N 1.044 109.707 108.800 -0.229 0.000 2.459 348 G HA2 -0.211 3.750 3.960 0.000 0.000 0.217 348 G HA3 -0.211 3.750 3.960 0.000 0.000 0.217 348 G C 1.732 176.301 174.900 -0.552 0.000 1.183 348 G CA 1.051 45.991 45.100 -0.267 0.000 0.776 348 G HN 0.429 nan 8.290 nan 0.000 0.552 349 V N 1.370 120.686 119.914 -0.997 0.000 2.324 349 V HA -0.197 3.923 4.120 0.000 0.000 0.250 349 V C 2.810 178.791 176.094 -0.189 0.000 1.060 349 V CA 1.429 63.351 62.300 -0.629 0.000 1.042 349 V CB -0.335 31.203 31.823 -0.474 0.000 0.650 349 V HN 0.298 nan 8.190 nan 0.000 0.450 350 I N 0.874 121.358 120.570 -0.144 0.000 2.252 350 I HA -0.148 4.023 4.170 0.000 0.000 0.245 350 I C 2.696 178.837 176.117 0.040 0.000 1.102 350 I CA 2.183 63.473 61.300 -0.016 0.000 1.385 350 I CB -1.322 36.657 38.000 -0.035 0.000 1.064 350 I HN 0.559 nan 8.210 nan 0.000 0.414 351 S N 0.089 115.800 115.700 0.017 0.000 2.395 351 S HA -0.100 4.370 4.470 0.000 0.000 0.225 351 S C 1.761 176.417 174.600 0.093 0.000 1.027 351 S CA 1.261 59.497 58.200 0.060 0.000 0.965 351 S CB -0.894 62.338 63.200 0.054 0.000 0.812 351 S HN 0.555 nan 8.310 nan 0.000 0.482 352 T N 0.462 115.083 114.554 0.112 0.000 3.163 352 T HA 0.468 4.818 4.350 0.000 0.000 0.252 352 T C 0.339 175.130 174.700 0.152 0.000 1.056 352 T CA -0.563 61.631 62.100 0.157 0.000 0.947 352 T CB -0.801 68.223 68.868 0.259 0.000 1.016 352 T HN 0.436 nan 8.240 nan 0.000 0.554 353 L N -0.204 121.098 121.223 0.133 0.000 2.439 353 L HA 0.654 4.994 4.340 0.000 0.000 0.261 353 L C -0.474 176.463 176.870 0.112 0.000 1.153 353 L CA -0.646 54.273 54.840 0.132 0.000 0.808 353 L CB 0.441 42.589 42.059 0.147 0.000 1.126 353 L HN 0.012 nan 8.230 nan 0.000 0.460 354 Q N 3.288 123.137 119.800 0.082 0.000 2.327 354 Q HA 0.584 4.924 4.340 0.000 0.000 0.270 354 Q C -0.491 175.506 176.000 -0.004 0.000 1.022 354 Q CA -0.521 55.307 55.803 0.043 0.000 0.773 354 Q CB 2.128 30.888 28.738 0.036 0.000 1.251 354 Q HN 0.792 nan 8.270 nan 0.000 0.457 355 I N -1.487 119.042 120.570 -0.069 0.000 3.156 355 I HA 0.537 4.707 4.170 0.000 0.000 0.306 355 I C 0.044 176.066 176.117 -0.159 0.000 1.048 355 I CA -0.529 60.649 61.300 -0.203 0.000 1.207 355 I CB 1.415 39.132 38.000 -0.471 0.000 1.456 355 I HN 0.371 nan 8.210 nan 0.000 0.616 356 S N 1.338 116.922 115.700 -0.194 0.000 2.653 356 S HA 0.346 4.817 4.470 0.000 0.000 0.272 356 S C 0.487 174.971 174.600 -0.194 0.000 1.221 356 S CA -0.781 57.338 58.200 -0.134 0.000 1.149 356 S CB 0.677 63.838 63.200 -0.065 0.000 1.029 356 S HN 0.685 nan 8.310 nan 0.000 0.481 357 K N 2.554 122.845 120.400 -0.181 0.000 2.074 357 K HA -0.102 4.219 4.320 0.000 0.000 0.209 357 K C 1.845 178.346 176.600 -0.165 0.000 1.048 357 K CA 1.815 57.988 56.287 -0.191 0.000 0.926 357 K CB -0.084 32.340 32.500 -0.127 0.000 0.713 357 K HN 0.661 nan 8.250 nan 0.000 0.444 358 E N 0.424 120.556 120.200 -0.113 0.000 2.013 358 E HA -0.203 4.147 4.350 0.000 0.000 0.202 358 E C 1.777 178.320 176.600 -0.095 0.000 1.018 358 E CA 1.466 57.814 56.400 -0.086 0.000 0.834 358 E CB -0.225 29.443 29.700 -0.054 0.000 0.770 358 E HN 0.326 nan 8.360 nan 0.000 0.459 359 N N 0.514 119.171 118.700 -0.071 0.000 2.166 359 N HA -0.154 4.586 4.740 0.000 0.000 0.186 359 N C 1.830 177.290 175.510 -0.084 0.000 1.019 359 N CA 0.972 54.008 53.050 -0.023 0.000 0.856 359 N CB -0.315 38.207 38.487 0.059 0.000 0.993 359 N HN 0.160 nan 8.380 nan 0.000 0.426 360 M N 0.660 120.106 119.600 -0.256 0.000 2.159 360 M HA -0.125 4.355 4.480 0.000 0.000 0.263 360 M C 1.972 177.999 176.300 -0.453 0.000 1.063 360 M CA 1.399 56.335 55.300 -0.607 0.000 1.110 360 M CB 0.128 32.322 32.600 -0.677 0.000 1.374 360 M HN 0.019 nan 8.290 nan 0.000 0.411 361 E N 0.399 120.415 120.200 -0.306 0.000 2.112 361 E HA -0.140 4.210 4.350 0.000 0.000 0.190 361 E C 1.598 178.043 176.600 -0.258 0.000 0.979 361 E CA 1.125 57.355 56.400 -0.283 0.000 0.814 361 E CB 0.058 29.645 29.700 -0.190 0.000 0.762 361 E HN 0.485 nan 8.360 nan 0.000 0.460 362 K N 0.108 120.410 120.400 -0.162 0.000 2.439 362 K HA 0.027 4.347 4.320 0.000 0.000 0.197 362 K C 1.919 178.457 176.600 -0.104 0.000 1.041 362 K CA 0.608 56.831 56.287 -0.106 0.000 0.970 362 K CB 0.064 32.531 32.500 -0.055 0.000 0.773 362 K HN 0.027 nan 8.250 nan 0.000 0.479 363 A N 1.061 123.809 122.820 -0.120 0.000 1.969 363 A HA -0.068 4.252 4.320 0.000 0.000 0.218 363 A C 0.635 178.130 177.584 -0.147 0.000 1.169 363 A CA 0.682 52.684 52.037 -0.059 0.000 0.635 363 A CB -0.212 18.813 19.000 0.042 0.000 0.810 363 A HN 0.069 nan 8.150 nan 0.000 0.445 364 L N 1.768 122.800 121.223 -0.318 0.000 2.513 364 L HA 0.239 4.580 4.340 0.000 0.000 0.272 364 L C 0.841 177.622 176.870 -0.147 0.000 1.187 364 L CA 0.917 55.478 54.840 -0.464 0.000 0.895 364 L CB -0.163 41.071 42.059 -1.376 0.000 1.147 364 L HN 0.452 nan 8.230 nan 0.000 0.483 365 T N 0.814 115.414 114.554 0.077 0.000 2.893 365 T HA 0.514 4.864 4.350 0.000 0.000 0.291 365 T C -2.047 172.814 174.700 0.267 0.000 1.028 365 T CA -1.862 60.341 62.100 0.173 0.000 0.995 365 T CB 2.083 70.993 68.868 0.070 0.000 1.051 365 T HN 0.262 nan 8.240 nan 0.000 0.470 366 P HA -0.208 nan 4.420 nan 0.000 0.216 366 P C 1.539 178.918 177.300 0.132 0.000 1.154 366 P CA 1.589 64.781 63.100 0.153 0.000 0.865 366 P CB 0.023 31.770 31.700 0.078 0.000 0.789 367 E N -0.426 119.832 120.200 0.097 0.000 2.171 367 E HA -0.215 4.136 4.350 0.000 0.000 0.197 367 E C 1.686 178.336 176.600 0.084 0.000 0.997 367 E CA 1.304 57.749 56.400 0.075 0.000 0.810 367 E CB -1.094 28.635 29.700 0.049 0.000 0.738 367 E HN 0.269 nan 8.360 nan 0.000 0.467 368 M N 0.585 120.248 119.600 0.106 0.000 2.460 368 M HA -0.014 4.467 4.480 0.000 0.000 0.263 368 M C 1.801 178.164 176.300 0.105 0.000 1.071 368 M CA 0.975 56.337 55.300 0.104 0.000 1.096 368 M CB -0.075 32.597 32.600 0.120 0.000 1.408 368 M HN 0.126 nan 8.290 nan 0.000 0.463 369 L N -0.589 120.690 121.223 0.093 0.000 2.591 369 L HA 0.125 4.466 4.340 0.000 0.000 0.228 369 L C 2.585 179.449 176.870 -0.009 0.000 1.133 369 L CA -0.261 54.589 54.840 0.017 0.000 0.880 369 L CB -0.700 41.324 42.059 -0.058 0.000 1.033 369 L HN 0.225 nan 8.230 nan 0.000 0.450 370 A N 0.369 123.214 122.820 0.043 0.000 1.908 370 A HA -0.212 4.109 4.320 0.000 0.000 0.218 370 A C 2.384 179.997 177.584 0.048 0.000 1.181 370 A CA 2.484 54.546 52.037 0.041 0.000 0.627 370 A CB -0.724 18.309 19.000 0.055 0.000 0.818 370 A HN 0.345 nan 8.150 nan 0.000 0.445 371 T N 0.085 114.683 114.554 0.075 0.000 2.777 371 T HA -0.110 4.241 4.350 0.000 0.000 0.266 371 T C 1.477 176.231 174.700 0.089 0.000 1.040 371 T CA 1.481 63.647 62.100 0.110 0.000 1.141 371 T CB -0.416 68.534 68.868 0.136 0.000 0.868 371 T HN 0.465 nan 8.240 nan 0.000 0.444 372 D N 1.109 121.537 120.400 0.046 0.000 2.178 372 D HA -0.040 4.600 4.640 0.000 0.000 0.201 372 D C 2.015 178.306 176.300 -0.015 0.000 0.980 372 D CA 0.323 54.327 54.000 0.007 0.000 0.842 372 D CB -0.348 40.424 40.800 -0.046 0.000 0.948 372 D HN 0.161 nan 8.370 nan 0.000 0.472 373 L N 0.851 122.036 121.223 -0.064 0.000 2.046 373 L HA -0.075 4.265 4.340 0.000 0.000 0.208 373 L C 2.059 179.001 176.870 0.120 0.000 1.077 373 L CA 1.493 56.285 54.840 -0.080 0.000 0.747 373 L CB -0.988 40.995 42.059 -0.126 0.000 0.896 373 L HN -0.055 nan 8.230 nan 0.000 0.432 374 A N -0.495 122.402 122.820 0.128 0.000 2.015 374 A HA -0.137 4.183 4.320 0.000 0.000 0.219 374 A C 2.263 179.958 177.584 0.186 0.000 1.163 374 A CA 1.104 53.245 52.037 0.173 0.000 0.646 374 A CB -0.410 18.686 19.000 0.159 0.000 0.806 374 A HN 0.496 nan 8.150 nan 0.000 0.448 375 L N -2.124 119.191 121.223 0.154 0.000 2.109 375 L HA -0.158 4.182 4.340 0.000 0.000 0.207 375 L C 2.526 179.470 176.870 0.125 0.000 1.086 375 L CA 1.524 56.435 54.840 0.118 0.000 0.760 375 L CB -0.711 41.383 42.059 0.059 0.000 0.910 375 L HN 0.579 nan 8.230 nan 0.000 0.437 376 Y N 0.974 121.291 120.300 0.029 0.000 2.181 376 Y HA -0.297 4.253 4.550 0.000 0.000 0.284 376 Y C 2.225 178.169 175.900 0.073 0.000 1.179 376 Y CA 1.599 59.723 58.100 0.040 0.000 1.179 376 Y CB -0.236 38.251 38.460 0.045 0.000 0.973 376 Y HN 0.026 nan 8.280 nan 0.000 0.519 377 L N -1.408 120.015 121.223 0.333 0.000 2.023 377 L HA -0.195 4.145 4.340 0.000 0.000 0.205 377 L C 2.412 179.305 176.870 0.037 0.000 1.073 377 L CA 1.145 56.088 54.840 0.172 0.000 0.745 377 L CB -0.875 41.271 42.059 0.145 0.000 0.900 377 L HN 0.059 nan 8.230 nan 0.000 0.435 378 V N 0.116 120.071 119.914 0.069 0.000 2.439 378 V HA -0.330 3.790 4.120 0.000 0.000 0.253 378 V C 2.504 178.592 176.094 -0.009 0.000 1.074 378 V CA 1.793 64.124 62.300 0.052 0.000 1.076 378 V CB -0.807 31.073 31.823 0.095 0.000 0.664 378 V HN 0.437 nan 8.190 nan 0.000 0.461 379 R N -0.086 120.380 120.500 -0.056 0.000 2.280 379 R HA -0.019 4.321 4.340 0.000 0.000 0.207 379 R C 1.375 177.600 176.300 -0.125 0.000 1.043 379 R CA 0.595 56.633 56.100 -0.104 0.000 1.006 379 R CB -0.112 30.096 30.300 -0.155 0.000 0.885 379 R HN 0.476 nan 8.270 nan 0.000 0.467 380 K N -0.180 120.144 120.400 -0.127 0.000 2.681 380 K HA 0.157 4.477 4.320 0.000 0.000 0.211 380 K C 0.531 177.095 176.600 -0.061 0.000 1.075 380 K CA 0.319 56.539 56.287 -0.111 0.000 1.141 380 K CB 1.226 33.645 32.500 -0.136 0.000 0.896 380 K HN 0.278 nan 8.250 nan 0.000 0.470 381 G N 0.623 109.397 108.800 -0.043 0.000 2.347 381 G HA2 -0.292 3.669 3.960 0.000 0.000 0.247 381 G HA3 -0.292 3.669 3.960 0.000 0.000 0.247 381 G C 0.389 175.284 174.900 -0.009 0.000 1.037 381 G CA 0.134 45.220 45.100 -0.023 0.000 0.622 381 G HN 0.197 nan 8.290 nan 0.000 0.521 382 V N 4.711 124.617 119.914 -0.014 0.000 2.509 382 V HA 0.251 4.371 4.120 0.000 0.000 0.297 382 V C -0.552 175.561 176.094 0.033 0.000 1.014 382 V CA -0.176 62.122 62.300 -0.004 0.000 1.127 382 V CB 0.481 32.292 31.823 -0.020 0.000 0.925 382 V HN 0.430 nan 8.190 nan 0.000 0.480 383 P HA -0.028 nan 4.420 nan 0.000 0.270 383 P C 0.732 178.115 177.300 0.138 0.000 1.223 383 P CA -0.190 62.962 63.100 0.087 0.000 0.785 383 P CB 0.721 32.461 31.700 0.066 0.000 0.923 384 F N 2.780 122.741 119.950 0.019 0.000 2.011 384 F HA -0.249 4.278 4.527 0.000 0.000 0.296 384 F C 2.603 178.438 175.800 0.058 0.000 1.144 384 F CA 2.060 60.080 58.000 0.032 0.000 1.185 384 F CB -1.022 37.986 39.000 0.013 0.000 0.961 384 F HN 0.201 nan 8.300 nan 0.000 0.485 385 R N 0.608 120.971 120.500 -0.228 0.000 2.103 385 R HA -0.238 4.102 4.340 0.000 0.000 0.242 385 R C 2.300 178.530 176.300 -0.117 0.000 1.142 385 R CA 2.027 57.951 56.100 -0.293 0.000 0.960 385 R CB -1.103 29.137 30.300 -0.099 0.000 0.858 385 R HN 0.531 nan 8.270 nan 0.000 0.439 386 Q N -0.255 119.519 119.800 -0.043 0.000 2.096 386 Q HA -0.042 4.298 4.340 0.000 0.000 0.204 386 Q C 1.844 177.832 176.000 -0.019 0.000 0.982 386 Q CA 2.369 58.159 55.803 -0.021 0.000 0.850 386 Q CB -0.562 28.171 28.738 -0.009 0.000 0.901 386 Q HN 0.389 nan 8.270 nan 0.000 0.422 387 A N -0.565 122.254 122.820 -0.002 0.000 1.898 387 A HA -0.196 4.124 4.320 0.000 0.000 0.216 387 A C 2.016 179.622 177.584 0.036 0.000 1.181 387 A CA 1.689 53.744 52.037 0.030 0.000 0.620 387 A CB -1.122 17.928 19.000 0.083 0.000 0.819 387 A HN 0.708 nan 8.150 nan 0.000 0.442 388 H N 0.882 119.876 119.070 -0.127 0.000 2.265 388 H HA -0.175 4.382 4.556 0.000 0.000 0.295 388 H C 2.385 177.677 175.328 -0.061 0.000 1.084 388 H CA 3.380 59.347 56.048 -0.135 0.000 1.261 388 H CB -0.603 28.971 29.762 -0.315 0.000 1.360 388 H HN 0.503 nan 8.280 nan 0.000 0.487 389 T N -2.015 112.475 114.554 -0.107 0.000 2.803 389 T HA -0.134 4.216 4.350 0.000 0.000 0.269 389 T C 2.200 176.849 174.700 -0.084 0.000 1.052 389 T CA 1.557 63.581 62.100 -0.126 0.000 1.136 389 T CB -0.873 67.973 68.868 -0.036 0.000 0.864 389 T HN 0.476 nan 8.240 nan 0.000 0.467 390 A N 1.257 124.055 122.820 -0.037 0.000 1.873 390 A HA 0.040 4.360 4.320 0.000 0.000 0.215 390 A C 2.753 180.389 177.584 0.087 0.000 1.186 390 A CA 2.019 54.067 52.037 0.019 0.000 0.616 390 A CB -1.361 17.637 19.000 -0.005 0.000 0.823 390 A HN 0.563 nan 8.150 nan 0.000 0.442 391 S N -0.596 115.145 115.700 0.069 0.000 2.382 391 S HA -0.032 4.438 4.470 0.000 0.000 0.228 391 S C 2.010 176.606 174.600 -0.007 0.000 1.027 391 S CA 1.717 59.963 58.200 0.077 0.000 0.991 391 S CB -0.650 62.585 63.200 0.059 0.000 0.823 391 S HN 0.688 nan 8.310 nan 0.000 0.469 392 G N 0.851 109.576 108.800 -0.125 0.000 2.422 392 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 392 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 392 G C 1.438 176.331 174.900 -0.011 0.000 1.140 392 G CA 0.895 45.920 45.100 -0.124 0.000 0.775 392 G HN 0.577 nan 8.290 nan 0.000 0.545 393 K N 0.512 120.911 120.400 -0.001 0.000 2.155 393 K HA 0.154 4.474 4.320 0.000 0.000 0.203 393 K C 2.690 179.333 176.600 0.072 0.000 1.052 393 K CA 1.018 57.326 56.287 0.034 0.000 0.948 393 K CB -0.215 32.291 32.500 0.009 0.000 0.728 393 K HN 0.195 nan 8.250 nan 0.000 0.448 394 A N 0.544 123.413 122.820 0.082 0.000 1.930 394 A HA -0.067 4.253 4.320 0.000 0.000 0.217 394 A C 2.123 179.739 177.584 0.053 0.000 1.175 394 A CA 1.321 53.403 52.037 0.075 0.000 0.627 394 A CB -0.385 18.659 19.000 0.074 0.000 0.815 394 A HN 0.153 nan 8.150 nan 0.000 0.443 395 V N -0.532 119.414 119.914 0.054 0.000 2.307 395 V HA -0.233 3.887 4.120 0.000 0.000 0.245 395 V C 2.507 178.637 176.094 0.059 0.000 1.045 395 V CA 1.994 64.317 62.300 0.039 0.000 1.024 395 V CB -1.073 30.764 31.823 0.022 0.000 0.651 395 V HN 0.736 nan 8.190 nan 0.000 0.449 396 H N 0.148 119.212 119.070 -0.011 0.000 2.390 396 H HA -0.183 4.374 4.556 0.000 0.000 0.298 396 H C 2.206 177.528 175.328 -0.011 0.000 1.106 396 H CA 2.341 58.383 56.048 -0.011 0.000 1.297 396 H CB -0.071 29.685 29.762 -0.011 0.000 1.375 396 H HN 0.414 nan 8.280 nan 0.000 0.509 397 L N -0.007 121.321 121.223 0.175 0.000 1.973 397 L HA -0.091 4.249 4.340 0.000 0.000 0.208 397 L C 2.766 179.665 176.870 0.049 0.000 1.073 397 L CA 1.628 56.526 54.840 0.097 0.000 0.746 397 L CB -0.726 41.361 42.059 0.047 0.000 0.891 397 L HN 0.252 nan 8.230 nan 0.000 0.433 398 A N -0.439 122.390 122.820 0.015 0.000 1.986 398 A HA -0.330 3.990 4.320 0.000 0.000 0.220 398 A C 2.186 179.762 177.584 -0.013 0.000 1.171 398 A CA 2.118 54.144 52.037 -0.019 0.000 0.640 398 A CB -0.844 18.130 19.000 -0.043 0.000 0.811 398 A HN 0.710 nan 8.150 nan 0.000 0.451 399 E N -0.161 120.036 120.200 -0.004 0.000 2.058 399 E HA -0.203 4.148 4.350 0.000 0.000 0.194 399 E C 1.844 178.434 176.600 -0.016 0.000 0.997 399 E CA 1.883 58.266 56.400 -0.029 0.000 0.801 399 E CB -0.245 29.408 29.700 -0.078 0.000 0.746 399 E HN 0.706 nan 8.360 nan 0.000 0.450 400 T N -2.153 112.416 114.554 0.024 0.000 3.160 400 T HA 0.091 4.441 4.350 0.000 0.000 0.257 400 T C 1.200 175.909 174.700 0.015 0.000 1.147 400 T CA 0.288 62.408 62.100 0.034 0.000 1.064 400 T CB 0.051 68.974 68.868 0.092 0.000 0.949 400 T HN 0.080 nan 8.240 nan 0.000 0.526 401 K N 0.368 120.769 120.400 0.002 0.000 2.402 401 K HA 0.414 4.735 4.320 0.000 0.000 0.204 401 K C 1.181 177.771 176.600 -0.018 0.000 1.056 401 K CA 0.066 56.347 56.287 -0.009 0.000 1.069 401 K CB 0.700 33.191 32.500 -0.015 0.000 0.888 401 K HN 0.330 nan 8.250 nan 0.000 0.546 402 G N 2.995 111.784 108.800 -0.019 0.000 2.221 402 G HA2 -0.254 3.707 3.960 0.000 0.000 0.265 402 G HA3 -0.254 3.707 3.960 0.000 0.000 0.265 402 G C 0.015 174.897 174.900 -0.031 0.000 1.041 402 G CA 0.752 45.838 45.100 -0.023 0.000 0.807 402 G HN 0.474 nan 8.290 nan 0.000 0.502 403 I N -2.974 117.573 120.570 -0.038 0.000 2.769 403 I HA 0.794 4.964 4.170 0.000 0.000 0.298 403 I C 0.499 176.579 176.117 -0.061 0.000 1.128 403 I CA -0.692 60.576 61.300 -0.053 0.000 1.031 403 I CB 1.874 39.835 38.000 -0.065 0.000 1.235 403 I HN 0.220 nan 8.210 nan 0.000 0.423 404 T N 1.399 115.910 114.554 -0.071 0.000 2.795 404 T HA 0.210 4.560 4.350 0.000 0.000 0.314 404 T C 1.409 176.036 174.700 -0.122 0.000 1.069 404 T CA 0.047 62.103 62.100 -0.074 0.000 1.071 404 T CB 0.851 69.677 68.868 -0.069 0.000 0.988 404 T HN 0.777 nan 8.240 nan 0.000 0.543 405 I N -0.100 120.412 120.570 -0.097 0.000 2.493 405 I HA -0.112 4.058 4.170 0.000 0.000 0.254 405 I C 1.982 177.833 176.117 -0.444 0.000 1.160 405 I CA 1.223 62.448 61.300 -0.124 0.000 1.445 405 I CB -0.719 37.312 38.000 0.052 0.000 1.086 405 I HN 0.690 nan 8.210 nan 0.000 0.433 406 N N 2.087 120.395 118.700 -0.654 0.000 2.512 406 N HA -0.196 4.544 4.740 0.000 0.000 0.183 406 N C 1.582 176.594 175.510 -0.830 0.000 1.073 406 N CA 0.925 53.112 53.050 -1.438 0.000 0.911 406 N CB -0.202 37.798 38.487 -0.812 0.000 0.964 406 N HN 0.577 nan 8.380 nan 0.000 0.447 407 K N 0.617 120.738 120.400 -0.464 0.000 2.168 407 K HA 0.060 4.381 4.320 0.000 0.000 0.201 407 K C 0.227 176.680 176.600 -0.245 0.000 1.049 407 K CA -0.167 55.944 56.287 -0.293 0.000 0.974 407 K CB -0.060 32.328 32.500 -0.187 0.000 0.792 407 K HN 0.155 nan 8.250 nan 0.000 0.463 408 L N 2.644 123.732 121.223 -0.226 0.000 2.678 408 L HA -0.016 4.324 4.340 0.000 0.000 0.285 408 L C 0.152 176.924 176.870 -0.163 0.000 1.233 408 L CA -0.106 54.638 54.840 -0.159 0.000 0.920 408 L CB -0.641 41.340 42.059 -0.131 0.000 1.176 408 L HN 0.102 nan 8.230 nan 0.000 0.495 409 S N 2.934 118.569 115.700 -0.109 0.000 2.563 409 S HA 0.079 4.549 4.470 0.000 0.000 0.269 409 S C 1.040 175.596 174.600 -0.074 0.000 1.364 409 S CA -0.024 58.124 58.200 -0.087 0.000 1.010 409 S CB 0.512 63.680 63.200 -0.054 0.000 0.877 409 S HN 0.832 nan 8.310 nan 0.000 0.549 410 L N 1.342 122.533 121.223 -0.053 0.000 2.131 410 L HA -0.097 4.243 4.340 0.000 0.000 0.210 410 L C 2.484 179.362 176.870 0.013 0.000 1.092 410 L CA 2.232 57.058 54.840 -0.023 0.000 0.759 410 L CB -1.360 40.696 42.059 -0.005 0.000 0.903 410 L HN 0.971 nan 8.230 nan 0.000 0.435 411 E N -1.751 118.452 120.200 0.005 0.000 2.072 411 E HA -0.225 4.125 4.350 0.000 0.000 0.191 411 E C 1.537 178.154 176.600 0.027 0.000 0.985 411 E CA 1.251 57.663 56.400 0.019 0.000 0.801 411 E CB -0.595 29.109 29.700 0.007 0.000 0.750 411 E HN 0.409 nan 8.360 nan 0.000 0.452 412 D N 1.424 121.829 120.400 0.008 0.000 2.104 412 D HA -0.145 4.495 4.640 0.000 0.000 0.194 412 D C 2.203 178.535 176.300 0.054 0.000 0.994 412 D CA 1.049 55.056 54.000 0.013 0.000 0.830 412 D CB -0.336 40.454 40.800 -0.018 0.000 0.959 412 D HN 0.201 nan 8.370 nan 0.000 0.452 413 L N 0.594 121.848 121.223 0.052 0.000 2.012 413 L HA -0.198 4.142 4.340 0.000 0.000 0.210 413 L C 2.443 179.533 176.870 0.366 0.000 1.073 413 L CA 1.097 56.044 54.840 0.179 0.000 0.748 413 L CB -0.360 41.679 42.059 -0.032 0.000 0.891 413 L HN -0.040 nan 8.230 nan 0.000 0.431 414 K N 0.237 120.765 120.400 0.212 0.000 2.044 414 K HA -0.197 4.123 4.320 0.000 0.000 0.210 414 K C 2.351 179.005 176.600 0.090 0.000 1.049 414 K CA 1.944 58.318 56.287 0.146 0.000 0.927 414 K CB -0.738 31.814 32.500 0.087 0.000 0.713 414 K HN 0.485 nan 8.250 nan 0.000 0.443 415 S N 0.740 116.485 115.700 0.075 0.000 2.400 415 S HA -0.118 4.353 4.470 0.000 0.000 0.232 415 S C 2.113 176.736 174.600 0.039 0.000 1.025 415 S CA 1.150 59.376 58.200 0.042 0.000 0.993 415 S CB -0.496 62.722 63.200 0.031 0.000 0.808 415 S HN 0.275 nan 8.310 nan 0.000 0.478 416 I N 0.298 120.915 120.570 0.079 0.000 2.584 416 I HA 0.146 4.316 4.170 0.000 0.000 0.255 416 I C 0.999 177.105 176.117 -0.017 0.000 1.145 416 I CA 0.509 61.848 61.300 0.064 0.000 1.462 416 I CB 0.160 38.255 38.000 0.158 0.000 1.102 416 I HN 0.346 nan 8.210 nan 0.000 0.433 417 S N 0.095 115.752 115.700 -0.070 0.000 2.590 417 S HA 0.235 4.705 4.470 0.000 0.000 0.286 417 S C -2.227 172.243 174.600 -0.217 0.000 1.147 417 S CA -0.898 57.154 58.200 -0.247 0.000 0.963 417 S CB 1.386 64.253 63.200 -0.555 0.000 1.124 417 S HN -0.140 nan 8.310 nan 0.000 0.458 418 P HA -0.118 nan 4.420 nan 0.000 0.228 418 P C 0.953 178.228 177.300 -0.041 0.000 1.151 418 P CA 0.783 63.858 63.100 -0.042 0.000 0.770 418 P CB 0.182 31.864 31.700 -0.029 0.000 0.786 419 Q N -0.259 119.455 119.800 -0.144 0.000 2.170 419 Q HA -0.054 4.286 4.340 0.000 0.000 0.203 419 Q C 0.964 177.032 176.000 0.114 0.000 0.976 419 Q CA 0.662 56.416 55.803 -0.082 0.000 0.858 419 Q CB -0.757 27.869 28.738 -0.186 0.000 0.907 419 Q HN 0.447 nan 8.270 nan 0.000 0.433 420 F N 1.605 121.641 119.950 0.144 0.000 2.541 420 F HA 0.002 4.530 4.527 0.000 0.000 0.378 420 F C 1.148 177.006 175.800 0.096 0.000 1.068 420 F CA -0.567 57.491 58.000 0.096 0.000 1.199 420 F CB 0.545 39.532 39.000 -0.022 0.000 1.091 420 F HN -0.120 nan 8.300 nan 0.000 0.555 421 S N 1.152 117.068 115.700 0.360 0.000 2.618 421 S HA 0.125 4.595 4.470 0.000 0.000 0.284 421 S C 1.097 175.786 174.600 0.148 0.000 1.102 421 S CA -0.546 57.789 58.200 0.226 0.000 0.984 421 S CB 1.389 64.729 63.200 0.233 0.000 1.280 421 S HN 0.601 nan 8.310 nan 0.000 0.525 422 S N 0.882 116.652 115.700 0.115 0.000 2.478 422 S HA -0.063 4.407 4.470 0.000 0.000 0.222 422 S C 1.250 175.897 174.600 0.079 0.000 1.008 422 S CA 1.041 59.284 58.200 0.072 0.000 0.928 422 S CB -0.675 62.558 63.200 0.054 0.000 0.781 422 S HN 0.677 nan 8.310 nan 0.000 0.518 423 D N 1.365 121.844 120.400 0.131 0.000 2.350 423 D HA -0.054 4.586 4.640 0.000 0.000 0.216 423 D C 1.606 178.000 176.300 0.156 0.000 0.968 423 D CA 0.536 54.626 54.000 0.150 0.000 0.894 423 D CB -0.785 40.126 40.800 0.185 0.000 0.909 423 D HN 0.365 nan 8.370 nan 0.000 0.520 424 V N 1.338 121.284 119.914 0.054 0.000 2.794 424 V HA -0.269 3.851 4.120 0.000 0.000 0.260 424 V C 2.647 178.699 176.094 -0.071 0.000 1.103 424 V CA 1.743 63.872 62.300 -0.285 0.000 1.125 424 V CB -1.153 30.358 31.823 -0.520 0.000 0.702 424 V HN 0.411 nan 8.190 nan 0.000 0.494 425 S N -0.178 115.560 115.700 0.063 0.000 2.423 425 S HA -0.220 4.250 4.470 0.000 0.000 0.231 425 S C 1.836 176.509 174.600 0.120 0.000 1.014 425 S CA 0.839 59.139 58.200 0.166 0.000 0.965 425 S CB -0.342 62.902 63.200 0.073 0.000 0.785 425 S HN 0.607 nan 8.310 nan 0.000 0.495 426 Q N 1.191 121.016 119.800 0.042 0.000 2.170 426 Q HA 0.023 4.363 4.340 0.000 0.000 0.203 426 Q C 2.448 178.402 176.000 -0.076 0.000 0.976 426 Q CA 1.135 56.943 55.803 0.009 0.000 0.858 426 Q CB -1.079 27.681 28.738 0.037 0.000 0.907 426 Q HN 0.552 nan 8.270 nan 0.000 0.433 427 V N 0.615 120.411 119.914 -0.197 0.000 2.392 427 V HA -0.211 3.909 4.120 0.000 0.000 0.249 427 V C 1.154 176.902 176.094 -0.577 0.000 1.059 427 V CA 1.323 63.365 62.300 -0.431 0.000 1.051 427 V CB -0.600 30.782 31.823 -0.734 0.000 0.658 427 V HN 0.205 nan 8.190 nan 0.000 0.455 428 F N 1.242 121.084 119.950 -0.180 0.000 2.833 428 F HA 0.319 4.846 4.527 0.000 0.000 0.327 428 F C 0.686 176.281 175.800 -0.342 0.000 1.184 428 F CA 0.024 57.866 58.000 -0.263 0.000 1.328 428 F CB -0.474 38.391 39.000 -0.225 0.000 1.440 428 F HN 0.131 nan 8.300 nan 0.000 0.569 429 N N 0.303 118.843 118.700 -0.267 0.000 2.454 429 N HA 0.132 4.873 4.740 0.000 0.000 0.291 429 N C 0.331 175.682 175.510 -0.264 0.000 1.079 429 N CA -0.418 52.477 53.050 -0.259 0.000 0.893 429 N CB 0.806 39.245 38.487 -0.081 0.000 1.512 429 N HN 0.114 nan 8.380 nan 0.000 0.497 430 F N 1.773 121.741 119.950 0.031 0.000 2.134 430 F HA -0.142 4.385 4.527 0.000 0.000 0.299 430 F C 2.391 178.210 175.800 0.031 0.000 1.097 430 F CA 0.849 58.864 58.000 0.025 0.000 1.264 430 F CB -0.084 38.923 39.000 0.011 0.000 1.001 430 F HN 0.298 nan 8.300 nan 0.000 0.479 431 V N 0.572 120.599 119.914 0.189 0.000 2.324 431 V HA -0.340 3.780 4.120 0.000 0.000 0.250 431 V C 1.978 178.127 176.094 0.093 0.000 1.060 431 V CA 2.183 64.558 62.300 0.125 0.000 1.042 431 V CB -0.738 31.139 31.823 0.090 0.000 0.650 431 V HN 0.341 nan 8.190 nan 0.000 0.450 432 N N -0.242 118.490 118.700 0.054 0.000 2.223 432 N HA -0.128 4.612 4.740 0.000 0.000 0.185 432 N C 2.084 177.619 175.510 0.041 0.000 1.016 432 N CA 1.558 54.624 53.050 0.026 0.000 0.863 432 N CB -0.537 37.942 38.487 -0.014 0.000 0.983 432 N HN 0.438 nan 8.380 nan 0.000 0.429 433 S N 0.257 115.996 115.700 0.065 0.000 2.348 433 S HA -0.113 4.357 4.470 0.000 0.000 0.221 433 S C 2.064 176.800 174.600 0.227 0.000 1.033 433 S CA 1.663 59.934 58.200 0.118 0.000 1.010 433 S CB -0.384 62.910 63.200 0.157 0.000 0.891 433 S HN 0.240 nan 8.310 nan 0.000 0.442 434 V N -0.010 120.039 119.914 0.225 0.000 2.453 434 V HA 0.048 4.169 4.120 0.000 0.000 0.247 434 V C 2.096 178.350 176.094 0.266 0.000 1.048 434 V CA 1.661 64.128 62.300 0.277 0.000 1.049 434 V CB -1.043 30.879 31.823 0.165 0.000 0.672 434 V HN 0.262 nan 8.190 nan 0.000 0.457 435 E N 0.663 120.949 120.200 0.144 0.000 2.455 435 E HA -0.199 4.151 4.350 0.000 0.000 0.202 435 E C 2.205 178.826 176.600 0.036 0.000 1.045 435 E CA 1.163 57.615 56.400 0.087 0.000 0.872 435 E CB -0.340 29.391 29.700 0.051 0.000 0.792 435 E HN 0.790 nan 8.360 nan 0.000 0.542 436 Q N -0.726 119.067 119.800 -0.013 0.000 2.167 436 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 436 Q C 0.212 176.006 176.000 -0.343 0.000 0.970 436 Q CA 0.736 56.396 55.803 -0.238 0.000 0.855 436 Q CB 0.003 28.468 28.738 -0.454 0.000 0.911 436 Q HN 0.380 nan 8.270 nan 0.000 0.438 437 Y N 0.580 120.889 120.300 0.015 0.000 2.830 437 Y HA 0.039 4.589 4.550 0.000 0.000 0.371 437 Y C 1.624 177.528 175.900 0.008 0.000 1.246 437 Y CA 0.194 58.300 58.100 0.012 0.000 1.890 437 Y CB -0.521 37.948 38.460 0.016 0.000 1.995 437 Y HN 0.110 nan 8.280 nan 0.000 0.430 438 T N -2.298 112.290 114.554 0.057 0.000 2.942 438 T HA 0.092 4.442 4.350 0.000 0.000 0.265 438 T C 1.282 176.006 174.700 0.040 0.000 1.062 438 T CA 0.304 62.429 62.100 0.043 0.000 1.139 438 T CB -0.220 68.653 68.868 0.010 0.000 0.883 438 T HN 0.437 nan 8.240 nan 0.000 0.468 439 A N 3.064 125.905 122.820 0.034 0.000 2.587 439 A HA 0.352 4.672 4.320 0.000 0.000 0.233 439 A C 0.705 178.313 177.584 0.039 0.000 1.049 439 A CA -0.438 51.617 52.037 0.029 0.000 0.754 439 A CB -0.385 18.632 19.000 0.028 0.000 0.977 439 A HN 0.500 nan 8.150 nan 0.000 0.509 440 L N 1.027 122.263 121.223 0.022 0.000 2.653 440 L HA 0.021 4.361 4.340 0.000 0.000 0.288 440 L C 1.544 178.427 176.870 0.021 0.000 1.243 440 L CA 2.172 57.023 54.840 0.017 0.000 0.906 440 L CB -0.933 41.130 42.059 0.007 0.000 1.154 440 L HN 1.739 nan 8.230 nan 0.000 0.498 441 A N 2.489 125.318 122.820 0.015 0.000 3.410 441 A HA -0.130 4.190 4.320 0.000 0.000 0.253 441 A C 0.973 178.567 177.584 0.016 0.000 1.178 441 A CA 0.813 52.853 52.037 0.005 0.000 1.334 441 A CB -2.118 16.881 19.000 -0.002 0.000 1.097 441 A HN 1.008 nan 8.150 nan 0.000 0.921 442 G N -1.635 107.197 108.800 0.054 0.000 2.621 442 G HA2 0.434 4.394 3.960 0.000 0.000 0.271 442 G HA3 0.434 4.394 3.960 0.000 0.000 0.271 442 G C 0.791 175.723 174.900 0.053 0.000 1.236 442 G CA 0.877 46.032 45.100 0.092 0.000 0.958 442 G HN 0.942 nan 8.290 nan 0.000 0.512 443 T N -0.519 114.055 114.554 0.033 0.000 3.129 443 T HA 0.375 4.725 4.350 0.000 0.000 0.251 443 T C 1.310 176.058 174.700 0.081 0.000 1.117 443 T CA 0.644 62.752 62.100 0.013 0.000 1.034 443 T CB -0.815 68.012 68.868 -0.069 0.000 0.968 443 T HN 0.809 nan 8.240 nan 0.000 0.526 444 A N 1.185 124.085 122.820 0.135 0.000 2.483 444 A HA 0.356 4.676 4.320 0.000 0.000 0.238 444 A C 1.531 179.159 177.584 0.073 0.000 1.070 444 A CA -0.041 52.067 52.037 0.119 0.000 0.770 444 A CB 0.198 19.266 19.000 0.114 0.000 1.008 444 A HN 0.436 nan 8.150 nan 0.000 0.497 445 K N 1.617 122.056 120.400 0.065 0.000 2.059 445 K HA -0.182 4.138 4.320 0.000 0.000 0.212 445 K C 2.201 178.824 176.600 0.038 0.000 1.050 445 K CA 2.584 58.901 56.287 0.049 0.000 0.927 445 K CB -0.487 32.041 32.500 0.046 0.000 0.714 445 K HN 0.669 nan 8.250 nan 0.000 0.447 446 S N -0.719 115.003 115.700 0.036 0.000 2.356 446 S HA -0.158 4.312 4.470 0.000 0.000 0.223 446 S C 2.110 176.725 174.600 0.024 0.000 1.032 446 S CA 1.855 60.071 58.200 0.027 0.000 1.005 446 S CB -0.804 62.410 63.200 0.024 0.000 0.867 446 S HN 0.528 nan 8.310 nan 0.000 0.449 447 S N 0.034 115.753 115.700 0.031 0.000 2.382 447 S HA -0.069 4.401 4.470 0.000 0.000 0.228 447 S C 1.809 176.418 174.600 0.014 0.000 1.027 447 S CA 1.484 59.699 58.200 0.026 0.000 0.991 447 S CB -0.502 62.722 63.200 0.040 0.000 0.823 447 S HN 0.402 nan 8.310 nan 0.000 0.469 448 V N 1.988 121.913 119.914 0.018 0.000 2.427 448 V HA -0.133 3.987 4.120 0.000 0.000 0.248 448 V C 2.800 178.896 176.094 0.004 0.000 1.051 448 V CA 2.079 64.383 62.300 0.007 0.000 1.048 448 V CB -1.403 30.429 31.823 0.016 0.000 0.666 448 V HN 0.821 nan 8.190 nan 0.000 0.456 449 T N -2.868 111.693 114.554 0.011 0.000 2.812 449 T HA -0.187 4.163 4.350 0.000 0.000 0.264 449 T C 1.858 176.560 174.700 0.003 0.000 1.042 449 T CA 1.819 63.924 62.100 0.008 0.000 1.140 449 T CB -0.722 68.153 68.868 0.013 0.000 0.870 449 T HN 0.430 nan 8.240 nan 0.000 0.445 450 T N 2.485 117.041 114.554 0.004 0.000 2.622 450 T HA -0.173 4.177 4.350 0.000 0.000 0.266 450 T C 2.176 176.872 174.700 -0.007 0.000 1.047 450 T CA 1.774 63.874 62.100 -0.000 0.000 1.159 450 T CB -0.552 68.317 68.868 0.002 0.000 0.863 450 T HN 0.514 nan 8.240 nan 0.000 0.422 451 Q N 0.289 120.083 119.800 -0.011 0.000 2.062 451 Q HA -0.131 4.209 4.340 0.000 0.000 0.209 451 Q C 2.414 178.400 176.000 -0.023 0.000 0.996 451 Q CA 1.644 57.434 55.803 -0.021 0.000 0.859 451 Q CB -0.557 28.162 28.738 -0.031 0.000 0.920 451 Q HN 0.532 nan 8.270 nan 0.000 0.415 452 I N 0.804 121.362 120.570 -0.019 0.000 2.248 452 I HA -0.304 3.866 4.170 0.000 0.000 0.248 452 I C 2.103 178.212 176.117 -0.012 0.000 1.107 452 I CA 1.366 62.655 61.300 -0.017 0.000 1.373 452 I CB -0.333 37.661 38.000 -0.010 0.000 1.055 452 I HN 0.279 nan 8.210 nan 0.000 0.418 453 E N 0.389 120.584 120.200 -0.008 0.000 2.072 453 E HA -0.243 4.107 4.350 0.000 0.000 0.191 453 E C 2.221 178.816 176.600 -0.009 0.000 0.985 453 E CA 1.019 57.416 56.400 -0.006 0.000 0.801 453 E CB -0.139 29.559 29.700 -0.003 0.000 0.750 453 E HN 0.587 nan 8.360 nan 0.000 0.452 454 Q N 0.644 120.437 119.800 -0.011 0.000 2.084 454 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 454 Q C 2.388 178.379 176.000 -0.016 0.000 0.978 454 Q CA 1.056 56.851 55.803 -0.013 0.000 0.844 454 Q CB -0.121 28.608 28.738 -0.015 0.000 0.898 454 Q HN 0.291 nan 8.270 nan 0.000 0.426 455 L N 0.124 121.335 121.223 -0.020 0.000 2.046 455 L HA -0.188 4.153 4.340 0.000 0.000 0.208 455 L C 2.498 179.358 176.870 -0.015 0.000 1.077 455 L CA 1.216 56.043 54.840 -0.022 0.000 0.747 455 L CB -0.346 41.694 42.059 -0.031 0.000 0.896 455 L HN 0.180 nan 8.230 nan 0.000 0.432 456 R N -0.543 119.950 120.500 -0.012 0.000 2.115 456 R HA -0.136 4.204 4.340 0.000 0.000 0.230 456 R C 2.305 178.601 176.300 -0.007 0.000 1.111 456 R CA 0.829 56.924 56.100 -0.008 0.000 0.976 456 R CB -0.042 30.254 30.300 -0.006 0.000 0.870 456 R HN 0.249 nan 8.270 nan 0.000 0.445 457 E N 0.829 121.025 120.200 -0.008 0.000 2.047 457 E HA -0.130 4.221 4.350 0.000 0.000 0.191 457 E C 2.035 178.631 176.600 -0.007 0.000 0.987 457 E CA 1.066 57.462 56.400 -0.007 0.000 0.799 457 E CB -0.136 29.560 29.700 -0.006 0.000 0.752 457 E HN 0.290 nan 8.360 nan 0.000 0.449 458 L N 0.074 121.292 121.223 -0.008 0.000 2.127 458 L HA -0.172 4.169 4.340 0.000 0.000 0.211 458 L C 2.649 179.515 176.870 -0.007 0.000 1.089 458 L CA 0.985 55.820 54.840 -0.008 0.000 0.757 458 L CB -0.358 41.695 42.059 -0.010 0.000 0.899 458 L HN 0.165 nan 8.230 nan 0.000 0.434 459 M N -0.765 118.831 119.600 -0.007 0.000 2.254 459 M HA -0.194 4.286 4.480 0.000 0.000 0.265 459 M C 2.360 178.656 176.300 -0.007 0.000 1.066 459 M CA 1.457 56.754 55.300 -0.006 0.000 1.123 459 M CB -0.273 32.324 32.600 -0.005 0.000 1.388 459 M HN 0.157 nan 8.290 nan 0.000 0.425 460 K N 0.554 120.950 120.400 -0.007 0.000 2.057 460 K HA -0.146 4.174 4.320 0.000 0.000 0.206 460 K C 1.921 178.515 176.600 -0.008 0.000 1.050 460 K CA 1.044 57.326 56.287 -0.007 0.000 0.935 460 K CB 0.183 32.679 32.500 -0.006 0.000 0.715 460 K HN 0.082 nan 8.250 nan 0.000 0.439 461 K N 1.094 121.490 120.400 -0.008 0.000 2.009 461 K HA -0.166 4.154 4.320 0.000 0.000 0.210 461 K C 1.465 178.058 176.600 -0.010 0.000 1.049 461 K CA 1.422 57.704 56.287 -0.008 0.000 0.929 461 K CB -0.443 32.052 32.500 -0.007 0.000 0.714 461 K HN 0.399 nan 8.250 nan 0.000 0.440 462 Q N 0.942 120.736 119.800 -0.010 0.000 2.336 462 Q HA 0.005 4.345 4.340 0.000 0.000 0.231 462 Q C 0.354 176.343 176.000 -0.018 0.000 0.900 462 Q CA 0.525 56.320 55.803 -0.014 0.000 0.966 462 Q CB 0.098 28.830 28.738 -0.011 0.000 1.219 462 Q HN 0.226 nan 8.270 nan 0.000 0.412 463 K N -0.373 120.017 120.400 -0.018 0.000 3.037 463 K HA -0.007 4.313 4.320 0.000 0.000 0.267 463 K C -0.017 176.572 176.600 -0.019 0.000 2.485 463 K CA -0.077 56.198 56.287 -0.020 0.000 1.453 463 K CB 0.317 32.806 32.500 -0.018 0.000 2.739 463 K HN 0.240 nan 8.250 nan 0.000 0.418 464 E N 0.000 120.191 120.200 -0.015 0.000 2.725 464 E HA 0.000 4.350 4.350 0.000 0.000 0.291 464 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 464 E CB 0.000 29.694 29.700 -0.011 0.000 0.812 464 E HN 0.000 nan 8.360 nan 0.000 0.440