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 3edk_1_B DATA FIRST_RESID 3 DATA SEQUENCE PTAIEHMEPP FWWAGMQHKG LQLMVHGRDI GRMEAALDYP GVRLVSPTRV DATA SEQUENCE PNANYLFVDL EIGPEAQPGS FDIVFKGDGR SERYRYRLLA REQGSAQRQG DATA SEQUENCE FGPGDAIYQI MPDRFANGDP SNDNVAGMRE QADRRHGGGR HGGDIRGTID DATA SEQUENCE HLDYIAGLGF TQLWPTPLVE NDAAAYSYHG YAATDHYRID PRYGSNEDFV DATA SEQUENCE RLSTEARKRG MGLIQDVVLS HIGKHHWWMK DLPTPDWINY GGKFVPTQHH DATA SEQUENCE RVAVQDPYAA QADSENFTKG WFVEGMPDLN QTNPLVANYL IQNNIWWIEY DATA SEQUENCE AGLSGLRIDT YGYSDGAFLT EYTRRLMAEY PRLNMVGQEW STRVPVVARW DATA SEQUENCE QRGKANFDGY TSHLPSLMDF PLVDAMRNAL SKTGEENGLN EVYETLSLDY DATA SEQUENCE LYPEPQNLVL FGGNHDMARM FSAAGEDFDR WRMNLVFLMT MPRIPQFYSG DATA SEQUENCE DEILMTSTVK GRDDASYRRD FPGGWAGDKA NAFSGAGLTS QQRAAQDLVR DATA SEQUENCE KLANWRKNQP VIHNGRLMHF GPEENTWVYF RYNKDKRIMV AMNNNDKPMT DATA SEQUENCE LPTARFQEML KGAPSGVDFL SGKTVGLGRE LRLAPKSVVV IELPGLP 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.196 177.300 -0.174 0.000 1.155 3 P CA 0.000 62.986 63.100 -0.189 0.000 0.800 3 P CB 0.000 31.503 31.700 -0.328 0.000 0.726 4 T N -0.522 113.922 114.554 -0.183 0.000 2.910 4 T HA 0.635 4.985 4.350 -0.000 0.000 0.323 4 T C 0.666 175.268 174.700 -0.164 0.000 1.091 4 T CA 0.272 62.282 62.100 -0.149 0.000 0.960 4 T CB 0.726 69.519 68.868 -0.124 0.000 1.024 4 T HN 0.902 nan 8.240 nan 0.000 0.509 5 A N 4.164 126.892 122.820 -0.152 0.000 5.059 5 A HA -0.232 4.088 4.320 -0.000 0.000 0.321 5 A C 0.284 177.738 177.584 -0.218 0.000 1.900 5 A CA 0.919 52.868 52.037 -0.148 0.000 0.710 5 A CB -1.855 17.086 19.000 -0.098 0.000 1.348 5 A HN 0.833 nan 8.150 nan 0.000 0.374 6 I N 1.078 121.527 120.570 -0.201 0.000 2.306 6 I HA 0.230 4.400 4.170 -0.000 0.000 0.288 6 I C 1.302 177.265 176.117 -0.257 0.000 1.036 6 I CA -0.027 61.118 61.300 -0.258 0.000 1.221 6 I CB 1.215 39.092 38.000 -0.205 0.000 1.385 6 I HN 0.673 nan 8.210 nan 0.000 0.472 7 E N 4.767 124.749 120.200 -0.364 0.000 2.015 7 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 7 E C 0.104 176.356 176.600 -0.581 0.000 0.991 7 E CA 1.108 57.224 56.400 -0.474 0.000 0.802 7 E CB 0.305 29.689 29.700 -0.527 0.000 0.759 7 E HN 0.535 nan 8.360 nan 0.000 0.447 8 H N -0.761 118.185 119.070 -0.207 0.000 2.538 8 H HA 0.358 4.914 4.556 -0.000 0.000 0.353 8 H C -0.858 174.368 175.328 -0.171 0.000 1.109 8 H CA -0.661 55.281 56.048 -0.177 0.000 1.192 8 H CB 1.627 31.282 29.762 -0.179 0.000 1.555 8 H HN 0.038 nan 8.280 nan 0.000 0.518 9 M N 2.749 122.279 119.600 -0.117 0.000 2.134 9 M HA 0.287 4.767 4.480 -0.000 0.000 0.310 9 M C -1.393 174.729 176.300 -0.296 0.000 0.966 9 M CA -0.057 55.073 55.300 -0.285 0.000 0.922 9 M CB 1.172 33.353 32.600 -0.700 0.000 1.537 9 M HN 0.532 nan 8.290 nan 0.000 0.424 10 E N 6.613 126.660 120.200 -0.255 0.000 2.260 10 E HA 0.462 4.812 4.350 -0.000 0.000 0.266 10 E C -2.698 173.725 176.600 -0.295 0.000 0.887 10 E CA -1.985 54.122 56.400 -0.488 0.000 0.777 10 E CB 1.947 31.503 29.700 -0.241 0.000 1.205 10 E HN 0.446 nan 8.360 nan 0.000 0.414 11 P HA 0.050 nan 4.420 nan 0.000 0.272 11 P C -2.155 174.873 177.300 -0.454 0.000 1.223 11 P CA -1.237 61.452 63.100 -0.687 0.000 0.784 11 P CB 0.695 32.330 31.700 -0.110 0.000 0.923 12 P HA 0.024 nan 4.420 nan 0.000 0.231 12 P C -0.071 177.078 177.300 -0.253 0.000 1.168 12 P CA 1.099 64.004 63.100 -0.324 0.000 0.779 12 P CB -0.043 31.487 31.700 -0.284 0.000 0.844 13 F N -4.733 115.087 119.950 -0.216 0.000 2.773 13 F HA 0.683 5.210 4.527 -0.000 0.000 0.314 13 F C -1.012 174.857 175.800 0.116 0.000 1.160 13 F CA -1.570 56.149 58.000 -0.468 0.000 0.920 13 F CB 0.588 39.319 39.000 -0.449 0.000 1.323 13 F HN -0.166 nan 8.300 nan 0.000 0.457 14 W N 0.375 121.669 121.300 -0.010 0.000 3.483 14 W HA 0.529 5.189 4.660 -0.000 0.000 0.378 14 W C -1.894 174.470 176.519 -0.258 0.000 1.097 14 W CA -0.942 56.407 57.345 0.005 0.000 1.075 14 W CB 1.941 31.664 29.460 0.438 0.000 1.534 14 W HN 0.562 nan 8.180 nan 0.000 0.610 15 W N 1.548 122.915 121.300 0.111 0.000 2.819 15 W HA 0.538 5.198 4.660 -0.000 0.000 0.337 15 W C -0.163 176.471 176.519 0.191 0.000 1.077 15 W CA -0.884 56.496 57.345 0.057 0.000 1.226 15 W CB 1.469 30.838 29.460 -0.151 0.000 1.419 15 W HN 0.361 nan 8.180 nan 0.000 0.502 16 A N 0.905 123.952 122.820 0.378 0.000 2.445 16 A HA 0.522 4.842 4.320 -0.000 0.000 0.242 16 A C 1.000 178.739 177.584 0.258 0.000 1.075 16 A CA 1.048 53.275 52.037 0.315 0.000 0.777 16 A CB -0.150 19.006 19.000 0.260 0.000 1.013 16 A HN 1.534 nan 8.150 nan 0.000 0.493 17 G N 0.808 109.734 108.800 0.210 0.000 2.149 17 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.235 17 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.235 17 G C 0.109 175.071 174.900 0.103 0.000 1.018 17 G CA 0.290 45.473 45.100 0.137 0.000 0.728 17 G HN 0.561 nan 8.290 nan 0.000 0.508 18 M N -0.516 119.174 119.600 0.149 0.000 2.202 18 M HA 0.334 4.814 4.480 -0.000 0.000 0.316 18 M C 1.496 177.852 176.300 0.093 0.000 1.138 18 M CA -0.427 54.933 55.300 0.100 0.000 1.151 18 M CB 0.895 33.633 32.600 0.230 0.000 1.422 18 M HN 0.206 nan 8.290 nan 0.000 0.471 19 Q N 1.222 121.044 119.800 0.035 0.000 2.016 19 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 19 Q C 0.170 176.234 176.000 0.106 0.000 0.978 19 Q CA 1.788 57.612 55.803 0.035 0.000 0.833 19 Q CB -0.309 28.409 28.738 -0.033 0.000 0.895 19 Q HN 0.642 nan 8.270 nan 0.000 0.427 20 H N 0.663 119.774 119.070 0.070 0.000 2.742 20 H HA 0.123 4.679 4.556 -0.000 0.000 0.302 20 H C 0.491 175.912 175.328 0.156 0.000 1.069 20 H CA -0.162 55.944 56.048 0.097 0.000 1.446 20 H CB 0.707 30.533 29.762 0.107 0.000 1.462 20 H HN 0.005 nan 8.280 nan 0.000 0.499 21 K N 3.394 123.709 120.400 -0.141 0.000 2.167 21 K HA 0.058 4.378 4.320 -0.000 0.000 0.203 21 K C 1.053 177.653 176.600 -0.001 0.000 1.052 21 K CA 0.707 56.985 56.287 -0.015 0.000 0.956 21 K CB -0.218 32.253 32.500 -0.048 0.000 0.735 21 K HN 0.743 nan 8.250 nan 0.000 0.451 22 G N 2.073 110.762 108.800 -0.185 0.000 2.380 22 G HA2 0.269 4.229 3.960 -0.000 0.000 0.242 22 G HA3 0.269 4.229 3.960 -0.000 0.000 0.242 22 G C -0.797 174.188 174.900 0.141 0.000 1.298 22 G CA -0.209 44.891 45.100 -0.001 0.000 0.878 22 G HN 0.156 nan 8.290 nan 0.000 0.542 23 L N 1.102 122.325 121.223 -0.001 0.000 2.439 23 L HA 0.507 4.847 4.340 -0.000 0.000 0.270 23 L C -0.495 176.298 176.870 -0.129 0.000 0.972 23 L CA -0.675 54.053 54.840 -0.186 0.000 0.836 23 L CB 2.299 44.139 42.059 -0.367 0.000 1.255 23 L HN 0.595 nan 8.230 nan 0.000 0.404 24 Q N 4.952 124.686 119.800 -0.110 0.000 2.348 24 Q HA 0.587 4.927 4.340 -0.000 0.000 0.265 24 Q C -1.703 174.293 176.000 -0.007 0.000 0.998 24 Q CA -0.591 55.216 55.803 0.007 0.000 0.831 24 Q CB 1.254 30.061 28.738 0.115 0.000 1.251 24 Q HN 0.781 nan 8.270 nan 0.000 0.456 25 L N 4.454 125.668 121.223 -0.014 0.000 2.276 25 L HA 0.458 4.798 4.340 -0.000 0.000 0.286 25 L C -0.065 176.799 176.870 -0.011 0.000 1.061 25 L CA -0.379 54.431 54.840 -0.050 0.000 0.807 25 L CB 1.244 43.234 42.059 -0.116 0.000 1.177 25 L HN 0.639 nan 8.230 nan 0.000 0.429 26 M N 4.892 124.475 119.600 -0.030 0.000 2.047 26 M HA 0.431 4.911 4.480 -0.000 0.000 0.342 26 M C -1.347 174.861 176.300 -0.153 0.000 1.058 26 M CA -0.529 54.648 55.300 -0.204 0.000 0.991 26 M CB 1.013 33.640 32.600 0.046 0.000 1.474 26 M HN 0.315 nan 8.290 nan 0.000 0.419 27 V N 4.862 124.626 119.914 -0.250 0.000 2.483 27 V HA 0.464 4.584 4.120 -0.000 0.000 0.295 27 V C -0.337 175.659 176.094 -0.163 0.000 1.035 27 V CA -0.656 61.510 62.300 -0.224 0.000 0.896 27 V CB 1.423 33.039 31.823 -0.344 0.000 0.986 27 V HN 0.779 nan 8.190 nan 0.000 0.447 28 H N 2.514 121.429 119.070 -0.258 0.000 2.679 28 H HA 0.764 5.320 4.556 -0.000 0.000 0.360 28 H C -0.327 174.793 175.328 -0.348 0.000 1.105 28 H CA 0.167 56.004 56.048 -0.352 0.000 1.196 28 H CB 2.289 31.953 29.762 -0.163 0.000 1.636 28 H HN 0.946 nan 8.280 nan 0.000 0.531 29 G N 3.237 111.453 108.800 -0.974 0.000 2.340 29 G HA2 0.116 4.076 3.960 -0.000 0.000 0.298 29 G HA3 0.116 4.076 3.960 -0.000 0.000 0.298 29 G C -1.333 173.253 174.900 -0.524 0.000 1.498 29 G CA -1.128 43.511 45.100 -0.768 0.000 0.847 29 G HN 0.835 nan 8.290 nan 0.000 0.594 30 R N 0.720 121.000 120.500 -0.366 0.000 2.480 30 R HA 0.352 4.692 4.340 -0.000 0.000 0.303 30 R C -0.330 175.871 176.300 -0.165 0.000 0.985 30 R CA 0.680 56.650 56.100 -0.217 0.000 1.051 30 R CB 0.145 30.357 30.300 -0.147 0.000 0.935 30 R HN 0.437 nan 8.270 nan 0.000 0.410 31 D N 1.422 121.752 120.400 -0.118 0.000 2.983 31 D HA -0.220 4.420 4.640 -0.000 0.000 0.225 31 D C 0.539 176.792 176.300 -0.079 0.000 1.174 31 D CA 1.240 55.198 54.000 -0.070 0.000 0.831 31 D CB -0.783 39.990 40.800 -0.046 0.000 1.104 31 D HN 0.682 nan 8.370 nan 0.000 0.421 32 I N 0.498 120.984 120.570 -0.140 0.000 2.394 32 I HA -0.048 4.122 4.170 -0.000 0.000 0.251 32 I C 2.488 178.567 176.117 -0.063 0.000 1.136 32 I CA 1.891 63.094 61.300 -0.161 0.000 1.425 32 I CB -0.074 37.739 38.000 -0.311 0.000 1.079 32 I HN 0.198 nan 8.210 nan 0.000 0.425 33 G N -0.178 108.607 108.800 -0.025 0.000 2.498 33 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 33 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 33 G C 1.795 176.730 174.900 0.059 0.000 1.119 33 G CA 0.376 45.507 45.100 0.051 0.000 0.766 33 G HN 0.340 nan 8.290 nan 0.000 0.552 34 R N -0.810 119.711 120.500 0.036 0.000 2.240 34 R HA 0.202 4.542 4.340 -0.000 0.000 0.203 34 R C 0.925 177.259 176.300 0.057 0.000 1.011 34 R CA 0.040 56.165 56.100 0.041 0.000 1.007 34 R CB -0.040 30.274 30.300 0.024 0.000 0.911 34 R HN 0.315 nan 8.270 nan 0.000 0.468 35 M N 0.586 120.233 119.600 0.078 0.000 2.163 35 M HA 0.147 4.627 4.480 -0.000 0.000 0.305 35 M C 0.143 176.529 176.300 0.144 0.000 1.166 35 M CA 0.174 55.550 55.300 0.126 0.000 1.132 35 M CB 0.563 33.289 32.600 0.211 0.000 1.413 35 M HN -0.077 nan 8.290 nan 0.000 0.478 36 E N 0.408 120.685 120.200 0.128 0.000 2.234 36 E HA 0.609 4.959 4.350 -0.000 0.000 0.266 36 E C -1.627 174.981 176.600 0.014 0.000 0.877 36 E CA -0.618 55.830 56.400 0.080 0.000 0.758 36 E CB 1.957 31.682 29.700 0.042 0.000 1.170 36 E HN 0.757 nan 8.360 nan 0.000 0.415 37 A N 2.890 125.674 122.820 -0.061 0.000 2.340 37 A HA 0.769 5.089 4.320 -0.000 0.000 0.268 37 A C -0.587 176.871 177.584 -0.211 0.000 1.100 37 A CA 0.158 51.998 52.037 -0.329 0.000 0.803 37 A CB 1.031 19.804 19.000 -0.378 0.000 1.043 37 A HN 0.677 nan 8.150 nan 0.000 0.488 38 A N 1.016 123.687 122.820 -0.248 0.000 2.549 38 A HA 0.765 5.085 4.320 -0.000 0.000 0.297 38 A C -1.011 176.512 177.584 -0.103 0.000 1.061 38 A CA -0.335 51.625 52.037 -0.129 0.000 0.690 38 A CB 1.083 20.035 19.000 -0.080 0.000 1.287 38 A HN 2.196 nan 8.150 nan 0.000 0.402 39 L N -1.512 119.680 121.223 -0.051 0.000 2.622 39 L HA 0.956 5.296 4.340 -0.000 0.000 0.258 39 L C -1.499 175.364 176.870 -0.012 0.000 0.996 39 L CA -0.538 54.303 54.840 0.001 0.000 0.858 39 L CB 2.141 44.210 42.059 0.017 0.000 1.449 39 L HN 0.428 nan 8.230 nan 0.000 0.411 40 D N 0.481 120.898 120.400 0.029 0.000 2.386 40 D HA 0.481 5.121 4.640 -0.000 0.000 0.247 40 D C -2.197 174.153 176.300 0.083 0.000 1.336 40 D CA 0.182 54.194 54.000 0.020 0.000 0.976 40 D CB 1.190 42.006 40.800 0.028 0.000 1.257 40 D HN 0.639 nan 8.370 nan 0.000 0.570 41 Y N 2.967 123.151 120.300 -0.194 0.000 2.441 41 Y HA 0.451 5.001 4.550 -0.000 0.000 0.334 41 Y C -2.584 173.216 175.900 -0.166 0.000 1.061 41 Y CA -1.976 56.003 58.100 -0.202 0.000 1.032 41 Y CB 2.056 40.221 38.460 -0.492 0.000 1.266 41 Y HN 0.154 nan 8.280 nan 0.000 0.441 42 P HA 0.261 nan 4.420 nan 0.000 0.263 42 P C 0.506 177.642 177.300 -0.274 0.000 1.195 42 P CA 1.910 64.797 63.100 -0.356 0.000 0.762 42 P CB 0.701 32.176 31.700 -0.374 0.000 0.799 43 G N 1.588 110.314 108.800 -0.123 0.000 2.217 43 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.246 43 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.246 43 G C -0.048 174.847 174.900 -0.008 0.000 0.990 43 G CA -0.157 44.918 45.100 -0.042 0.000 0.627 43 G HN 0.538 nan 8.290 nan 0.000 0.522 44 V N 1.688 121.581 119.914 -0.035 0.000 2.370 44 V HA 0.654 4.774 4.120 -0.000 0.000 0.283 44 V C 0.523 176.558 176.094 -0.098 0.000 1.023 44 V CA -0.650 61.606 62.300 -0.073 0.000 0.857 44 V CB 1.505 33.193 31.823 -0.224 0.000 0.985 44 V HN 0.458 nan 8.190 nan 0.000 0.443 45 R N 4.573 125.033 120.500 -0.067 0.000 2.393 45 R HA 0.565 4.905 4.340 -0.000 0.000 0.310 45 R C -1.119 175.147 176.300 -0.057 0.000 0.968 45 R CA -0.700 55.365 56.100 -0.058 0.000 0.867 45 R CB 1.362 31.639 30.300 -0.038 0.000 1.124 45 R HN 0.685 nan 8.270 nan 0.000 0.450 46 L N 5.846 127.036 121.223 -0.056 0.000 2.265 46 L HA 0.324 4.664 4.340 -0.000 0.000 0.288 46 L C -0.667 176.187 176.870 -0.026 0.000 1.058 46 L CA -0.670 54.143 54.840 -0.046 0.000 0.809 46 L CB 1.507 43.534 42.059 -0.054 0.000 1.179 46 L HN 0.487 nan 8.230 nan 0.000 0.429 47 V N 3.802 123.708 119.914 -0.014 0.000 2.732 47 V HA 0.109 4.229 4.120 -0.000 0.000 0.297 47 V C 0.759 176.857 176.094 0.006 0.000 1.060 47 V CA -0.306 61.993 62.300 -0.002 0.000 1.038 47 V CB 1.566 33.393 31.823 0.006 0.000 1.003 47 V HN 0.863 nan 8.190 nan 0.000 0.481 48 S N 4.509 120.213 115.700 0.007 0.000 2.546 48 S HA 0.166 4.636 4.470 -0.000 0.000 0.290 48 S C -1.975 172.640 174.600 0.026 0.000 1.290 48 S CA -0.790 57.417 58.200 0.013 0.000 1.069 48 S CB 0.197 63.403 63.200 0.010 0.000 0.846 48 S HN 0.659 nan 8.310 nan 0.000 0.495 49 P HA 0.162 nan 4.420 nan 0.000 0.267 49 P C -0.951 176.381 177.300 0.053 0.000 1.200 49 P CA -0.035 63.098 63.100 0.056 0.000 0.772 49 P CB 0.406 32.142 31.700 0.060 0.000 0.855 50 T N 3.100 117.695 114.554 0.068 0.000 2.809 50 T HA 0.427 4.777 4.350 -0.000 0.000 0.284 50 T C -0.204 174.543 174.700 0.078 0.000 0.992 50 T CA -0.706 61.426 62.100 0.053 0.000 0.957 50 T CB 0.775 69.659 68.868 0.026 0.000 0.942 50 T HN 0.211 nan 8.240 nan 0.000 0.439 51 R N 1.871 122.411 120.500 0.066 0.000 2.295 51 R HA 0.589 4.929 4.340 -0.000 0.000 0.324 51 R C 0.142 176.486 176.300 0.073 0.000 0.968 51 R CA -0.802 55.352 56.100 0.090 0.000 0.837 51 R CB 1.230 31.576 30.300 0.077 0.000 1.133 51 R HN 0.574 nan 8.270 nan 0.000 0.450 52 V N 1.083 121.061 119.914 0.107 0.000 2.834 52 V HA 0.342 4.462 4.120 -0.000 0.000 0.301 52 V C -1.389 174.754 176.094 0.082 0.000 1.066 52 V CA -1.403 60.944 62.300 0.077 0.000 1.052 52 V CB 1.056 32.934 31.823 0.091 0.000 1.021 52 V HN 0.718 nan 8.190 nan 0.000 0.480 53 P HA -0.088 nan 4.420 nan 0.000 0.225 53 P C 0.358 177.702 177.300 0.073 0.000 1.148 53 P CA 0.685 63.817 63.100 0.053 0.000 0.779 53 P CB -0.044 31.676 31.700 0.034 0.000 0.780 54 N N 0.771 119.529 118.700 0.096 0.000 2.399 54 N HA 0.163 4.903 4.740 -0.000 0.000 0.259 54 N C 1.166 176.784 175.510 0.180 0.000 1.160 54 N CA 0.149 53.288 53.050 0.148 0.000 0.946 54 N CB 0.925 39.521 38.487 0.182 0.000 1.156 54 N HN -0.090 nan 8.380 nan 0.000 0.489 55 A N 4.083 126.976 122.820 0.121 0.000 2.131 55 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 55 A C 1.384 178.992 177.584 0.040 0.000 1.158 55 A CA 1.055 53.137 52.037 0.075 0.000 0.665 55 A CB -0.076 18.951 19.000 0.044 0.000 0.795 55 A HN 0.681 nan 8.150 nan 0.000 0.460 56 N N -1.444 117.297 118.700 0.069 0.000 2.336 56 N HA 0.147 4.887 4.740 -0.000 0.000 0.189 56 N C -0.979 174.324 175.510 -0.345 0.000 1.113 56 N CA 0.405 53.375 53.050 -0.133 0.000 0.858 56 N CB 0.078 38.492 38.487 -0.122 0.000 0.970 56 N HN 0.589 nan 8.380 nan 0.000 0.471 57 Y N -0.295 120.014 120.300 0.016 0.000 2.512 57 Y HA 0.550 5.100 4.550 -0.000 0.000 0.348 57 Y C -0.594 175.264 175.900 -0.071 0.000 0.990 57 Y CA -1.168 56.898 58.100 -0.057 0.000 1.033 57 Y CB 2.086 40.495 38.460 -0.085 0.000 1.259 57 Y HN -0.235 nan 8.280 nan 0.000 0.461 58 L N 2.943 124.138 121.223 -0.046 0.000 2.436 58 L HA 0.643 4.983 4.340 -0.000 0.000 0.268 58 L C -2.054 174.749 176.870 -0.112 0.000 0.974 58 L CA -0.720 54.137 54.840 0.028 0.000 0.826 58 L CB 1.051 43.138 42.059 0.046 0.000 1.291 58 L HN 0.432 nan 8.230 nan 0.000 0.406 59 F N 4.778 124.795 119.950 0.111 0.000 2.404 59 F HA 0.599 5.126 4.527 -0.000 0.000 0.354 59 F C -0.045 175.808 175.800 0.087 0.000 1.122 59 F CA -0.729 57.332 58.000 0.101 0.000 1.080 59 F CB 1.698 40.753 39.000 0.092 0.000 1.131 59 F HN 0.084 nan 8.300 nan 0.000 0.471 60 V N 3.448 123.477 119.914 0.193 0.000 2.357 60 V HA 0.288 4.408 4.120 -0.000 0.000 0.284 60 V C -0.495 175.643 176.094 0.073 0.000 1.018 60 V CA -0.978 61.395 62.300 0.123 0.000 0.841 60 V CB 1.352 33.236 31.823 0.102 0.000 0.991 60 V HN 0.566 nan 8.190 nan 0.000 0.437 61 D N 5.265 125.702 120.400 0.062 0.000 2.280 61 D HA 0.545 5.185 4.640 -0.000 0.000 0.243 61 D C -0.598 175.699 176.300 -0.004 0.000 1.129 61 D CA -0.215 53.806 54.000 0.034 0.000 0.848 61 D CB 2.529 43.357 40.800 0.047 0.000 1.107 61 D HN 0.183 nan 8.370 nan 0.000 0.471 62 L N 2.096 123.302 121.223 -0.027 0.000 2.333 62 L HA 0.299 4.639 4.340 -0.000 0.000 0.269 62 L C 0.221 177.078 176.870 -0.021 0.000 1.010 62 L CA -0.646 54.171 54.840 -0.039 0.000 0.818 62 L CB 1.752 43.771 42.059 -0.066 0.000 1.306 62 L HN 0.123 nan 8.230 nan 0.000 0.430 63 E N 3.184 123.373 120.200 -0.018 0.000 2.186 63 E HA 0.401 4.751 4.350 -0.000 0.000 0.255 63 E C -0.975 175.634 176.600 0.015 0.000 0.881 63 E CA -0.181 56.214 56.400 -0.008 0.000 0.752 63 E CB 1.854 31.541 29.700 -0.021 0.000 1.176 63 E HN 0.388 nan 8.360 nan 0.000 0.421 64 I N 2.380 122.987 120.570 0.062 0.000 2.282 64 I HA 0.204 4.374 4.170 -0.000 0.000 0.290 64 I C 1.122 177.299 176.117 0.100 0.000 1.090 64 I CA -0.372 60.997 61.300 0.115 0.000 1.231 64 I CB 0.975 39.111 38.000 0.228 0.000 1.434 64 I HN 0.342 nan 8.210 nan 0.000 0.487 65 G N 6.919 115.757 108.800 0.064 0.000 2.636 65 G HA2 0.189 4.148 3.960 -0.000 0.000 0.246 65 G HA3 0.189 4.148 3.960 -0.000 0.000 0.246 65 G C -1.314 173.628 174.900 0.069 0.000 1.216 65 G CA -0.888 44.239 45.100 0.046 0.000 0.854 65 G HN 0.437 nan 8.290 nan 0.000 0.572 66 P HA -0.107 nan 4.420 nan 0.000 0.225 66 P C 1.318 178.653 177.300 0.058 0.000 1.148 66 P CA 1.068 64.205 63.100 0.061 0.000 0.779 66 P CB 0.253 31.977 31.700 0.040 0.000 0.780 67 E N 0.527 120.751 120.200 0.040 0.000 2.358 67 E HA -0.014 4.336 4.350 -0.000 0.000 0.195 67 E C 0.694 177.311 176.600 0.029 0.000 1.010 67 E CA 0.054 56.468 56.400 0.024 0.000 0.856 67 E CB -0.747 28.952 29.700 -0.002 0.000 0.795 67 E HN 0.045 nan 8.360 nan 0.000 0.504 68 A N 2.438 125.299 122.820 0.068 0.000 2.522 68 A HA 0.047 4.367 4.320 -0.000 0.000 0.256 68 A C 0.230 177.918 177.584 0.174 0.000 1.086 68 A CA -0.084 52.029 52.037 0.127 0.000 0.763 68 A CB 0.199 19.331 19.000 0.221 0.000 1.024 68 A HN 0.136 nan 8.150 nan 0.000 0.502 69 Q N 1.698 121.603 119.800 0.175 0.000 2.221 69 Q HA 0.401 4.741 4.340 -0.000 0.000 0.242 69 Q C -2.405 173.778 176.000 0.305 0.000 0.940 69 Q CA -2.024 53.891 55.803 0.188 0.000 0.896 69 Q CB 0.353 29.160 28.738 0.115 0.000 1.226 69 Q HN 0.472 nan 8.270 nan 0.000 0.463 70 P HA 0.273 nan 4.420 nan 0.000 0.268 70 P C -0.277 177.165 177.300 0.237 0.000 1.204 70 P CA 0.343 63.571 63.100 0.212 0.000 0.768 70 P CB 0.557 32.342 31.700 0.141 0.000 0.842 71 G N 0.662 109.583 108.800 0.203 0.000 2.344 71 G HA2 0.424 4.384 3.960 -0.000 0.000 0.282 71 G HA3 0.424 4.384 3.960 -0.000 0.000 0.282 71 G C -1.560 173.347 174.900 0.012 0.000 1.281 71 G CA -0.450 44.755 45.100 0.175 0.000 0.877 71 G HN 0.417 nan 8.290 nan 0.000 0.494 72 S N -0.958 114.724 115.700 -0.030 0.000 2.595 72 S HA 0.903 5.373 4.470 -0.000 0.000 0.281 72 S C -1.247 173.264 174.600 -0.149 0.000 1.117 72 S CA -0.496 57.572 58.200 -0.219 0.000 0.873 72 S CB 1.690 64.781 63.200 -0.182 0.000 1.108 72 S HN 1.426 nan 8.310 nan 0.000 0.477 73 F N -1.232 118.588 119.950 -0.216 0.000 2.641 73 F HA 0.610 5.137 4.527 -0.000 0.000 0.308 73 F C -1.264 174.536 175.800 0.001 0.000 1.105 73 F CA -1.062 56.872 58.000 -0.109 0.000 0.964 73 F CB 0.792 39.664 39.000 -0.213 0.000 1.294 73 F HN 0.265 nan 8.300 nan 0.000 0.442 74 D N 3.011 123.523 120.400 0.186 0.000 2.264 74 D HA 0.397 5.037 4.640 -0.000 0.000 0.250 74 D C -0.117 176.305 176.300 0.204 0.000 1.113 74 D CA 0.195 54.272 54.000 0.128 0.000 0.871 74 D CB 2.170 43.024 40.800 0.090 0.000 1.167 74 D HN 0.505 nan 8.370 nan 0.000 0.447 75 I N 2.125 122.800 120.570 0.174 0.000 2.321 75 I HA 0.153 4.323 4.170 -0.000 0.000 0.291 75 I C 0.025 176.073 176.117 -0.115 0.000 0.998 75 I CA -0.805 60.505 61.300 0.017 0.000 1.227 75 I CB 1.409 39.411 38.000 0.003 0.000 1.368 75 I HN -0.104 nan 8.210 nan 0.000 0.466 76 V N 6.918 126.692 119.914 -0.232 0.000 2.472 76 V HA 0.368 4.488 4.120 -0.000 0.000 0.290 76 V C -0.510 175.365 176.094 -0.365 0.000 1.037 76 V CA -0.474 61.738 62.300 -0.148 0.000 0.908 76 V CB 1.357 33.156 31.823 -0.039 0.000 0.985 76 V HN 0.378 nan 8.190 nan 0.000 0.454 77 F N 3.517 123.489 119.950 0.036 0.000 2.382 77 F HA 0.536 5.063 4.527 -0.000 0.000 0.361 77 F C 0.404 176.211 175.800 0.012 0.000 1.109 77 F CA -0.652 57.360 58.000 0.019 0.000 1.031 77 F CB 1.212 40.216 39.000 0.007 0.000 1.234 77 F HN 0.304 nan 8.300 nan 0.000 0.445 78 K N 2.300 122.776 120.400 0.127 0.000 2.182 78 K HA 0.881 5.201 4.320 -0.000 0.000 0.262 78 K C -0.100 176.545 176.600 0.076 0.000 0.957 78 K CA -0.964 55.371 56.287 0.081 0.000 0.842 78 K CB 2.207 34.731 32.500 0.040 0.000 1.099 78 K HN 0.799 nan 8.250 nan 0.000 0.438 79 G N 1.188 110.023 108.800 0.059 0.000 2.473 79 G HA2 0.163 4.123 3.960 -0.000 0.000 0.298 79 G HA3 0.163 4.123 3.960 -0.000 0.000 0.298 79 G C -1.150 173.769 174.900 0.031 0.000 1.575 79 G CA -0.843 44.285 45.100 0.045 0.000 0.846 79 G HN 0.634 nan 8.290 nan 0.000 0.585 80 D N -0.356 120.059 120.400 0.024 0.000 2.811 80 D HA -0.224 4.416 4.640 -0.000 0.000 0.231 80 D C 1.621 177.929 176.300 0.014 0.000 1.157 80 D CA 2.571 56.581 54.000 0.017 0.000 0.716 80 D CB -1.132 39.676 40.800 0.013 0.000 1.077 80 D HN 2.286 nan 8.370 nan 0.000 0.428 81 G N 0.138 108.948 108.800 0.017 0.000 2.184 81 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.264 81 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.264 81 G C 0.364 175.273 174.900 0.015 0.000 0.975 81 G CA 0.942 46.051 45.100 0.014 0.000 0.642 81 G HN 0.801 nan 8.290 nan 0.000 0.536 82 R N -1.273 119.239 120.500 0.019 0.000 2.856 82 R HA 0.847 5.187 4.340 -0.000 0.000 0.258 82 R C -0.763 175.560 176.300 0.038 0.000 1.066 82 R CA -0.296 55.817 56.100 0.022 0.000 1.045 82 R CB 1.862 32.170 30.300 0.013 0.000 1.178 82 R HN 0.401 nan 8.270 nan 0.000 0.499 83 S N 0.270 115.996 115.700 0.043 0.000 2.736 83 S HA 0.273 4.743 4.470 -0.000 0.000 0.285 83 S C -1.446 173.201 174.600 0.078 0.000 1.163 83 S CA -0.751 57.487 58.200 0.064 0.000 1.025 83 S CB 1.136 64.364 63.200 0.047 0.000 1.030 83 S HN 0.604 nan 8.310 nan 0.000 0.486 84 E N 3.030 123.311 120.200 0.136 0.000 2.227 84 E HA 0.524 4.874 4.350 -0.000 0.000 0.268 84 E C -0.539 176.215 176.600 0.257 0.000 0.907 84 E CA -0.704 55.787 56.400 0.151 0.000 0.786 84 E CB 1.818 31.577 29.700 0.099 0.000 1.191 84 E HN 0.589 nan 8.360 nan 0.000 0.411 85 R N 1.076 121.699 120.500 0.206 0.000 2.803 85 R HA 0.535 4.875 4.340 -0.000 0.000 0.276 85 R C -1.113 175.364 176.300 0.295 0.000 0.978 85 R CA -0.914 55.323 56.100 0.228 0.000 0.939 85 R CB 1.837 32.202 30.300 0.108 0.000 1.179 85 R HN 0.491 nan 8.270 nan 0.000 0.472 86 Y N 0.928 121.338 120.300 0.183 0.000 2.332 86 Y HA 0.269 4.819 4.550 -0.000 0.000 0.325 86 Y C -0.858 175.079 175.900 0.061 0.000 1.054 86 Y CA -0.878 57.301 58.100 0.132 0.000 1.119 86 Y CB 1.367 39.967 38.460 0.234 0.000 1.168 86 Y HN 0.480 nan 8.280 nan 0.000 0.439 87 R N 5.517 125.859 120.500 -0.264 0.000 2.309 87 R HA 0.164 4.504 4.340 -0.000 0.000 0.331 87 R C -1.580 174.537 176.300 -0.305 0.000 1.116 87 R CA -0.030 55.925 56.100 -0.243 0.000 0.970 87 R CB -0.069 30.077 30.300 -0.257 0.000 1.024 87 R HN 0.705 nan 8.270 nan 0.000 0.472 88 Y N 3.405 123.481 120.300 -0.373 0.000 2.316 88 Y HA 0.235 4.785 4.550 -0.000 0.000 0.331 88 Y C -0.007 175.494 175.900 -0.664 0.000 1.083 88 Y CA -0.212 57.621 58.100 -0.445 0.000 1.206 88 Y CB 0.714 38.814 38.460 -0.600 0.000 1.195 88 Y HN 0.488 nan 8.280 nan 0.000 0.497 89 R N 4.285 124.445 120.500 -0.567 0.000 2.393 89 R HA 0.525 4.865 4.340 -0.000 0.000 0.310 89 R C -2.222 173.999 176.300 -0.131 0.000 0.968 89 R CA -0.562 55.333 56.100 -0.341 0.000 0.867 89 R CB 0.615 30.708 30.300 -0.344 0.000 1.124 89 R HN 0.599 nan 8.270 nan 0.000 0.450 90 L N 5.671 126.892 121.223 -0.002 0.000 2.276 90 L HA 0.411 4.751 4.340 -0.000 0.000 0.286 90 L C -1.044 175.827 176.870 0.003 0.000 1.024 90 L CA -0.534 54.382 54.840 0.126 0.000 0.826 90 L CB 1.161 43.403 42.059 0.305 0.000 1.211 90 L HN 0.585 nan 8.230 nan 0.000 0.422 91 L N 3.077 124.201 121.223 -0.165 0.000 2.395 91 L HA 0.571 4.911 4.340 -0.000 0.000 0.269 91 L C 0.703 177.647 176.870 0.124 0.000 1.133 91 L CA -0.038 54.718 54.840 -0.140 0.000 0.812 91 L CB 0.811 42.629 42.059 -0.402 0.000 1.125 91 L HN 0.697 nan 8.230 nan 0.000 0.452 92 A N 3.887 126.793 122.820 0.143 0.000 2.450 92 A HA 0.347 4.667 4.320 -0.000 0.000 0.255 92 A C 0.383 178.132 177.584 0.274 0.000 1.096 92 A CA -0.391 51.758 52.037 0.187 0.000 0.778 92 A CB -0.055 19.016 19.000 0.119 0.000 1.031 92 A HN 0.635 nan 8.150 nan 0.000 0.494 93 R N 1.952 122.605 120.500 0.255 0.000 2.539 93 R HA 0.150 4.490 4.340 -0.000 0.000 0.275 93 R C -0.219 176.135 176.300 0.090 0.000 1.077 93 R CA -0.441 55.761 56.100 0.170 0.000 1.097 93 R CB 0.583 30.924 30.300 0.068 0.000 1.018 93 R HN 0.724 nan 8.270 nan 0.000 0.483 94 E N 2.411 122.641 120.200 0.050 0.000 2.415 94 E HA -0.052 4.298 4.350 -0.000 0.000 0.262 94 E C 0.120 176.728 176.600 0.014 0.000 1.038 94 E CA 0.015 56.430 56.400 0.026 0.000 0.921 94 E CB 0.516 30.218 29.700 0.003 0.000 0.950 94 E HN 0.205 nan 8.360 nan 0.000 0.438 95 Q N 0.211 120.019 119.800 0.014 0.000 2.263 95 Q HA 0.099 4.439 4.340 -0.000 0.000 0.289 95 Q C 0.975 176.975 176.000 0.001 0.000 1.061 95 Q CA 1.123 56.931 55.803 0.009 0.000 0.927 95 Q CB 0.608 29.351 28.738 0.008 0.000 1.154 95 Q HN 0.869 nan 8.270 nan 0.000 0.378 96 G N 2.399 111.200 108.800 0.001 0.000 2.159 96 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.256 96 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.256 96 G C 1.087 175.989 174.900 0.003 0.000 0.977 96 G CA 0.836 45.935 45.100 -0.001 0.000 0.652 96 G HN 0.603 nan 8.290 nan 0.000 0.531 97 S N 0.273 115.974 115.700 0.002 0.000 2.359 97 S HA -0.022 4.448 4.470 -0.000 0.000 0.222 97 S C 2.873 177.525 174.600 0.087 0.000 1.038 97 S CA 2.462 60.670 58.200 0.013 0.000 1.051 97 S CB -0.469 62.718 63.200 -0.023 0.000 0.944 97 S HN 1.741 nan 8.310 nan 0.000 0.433 98 A N 0.667 123.513 122.820 0.044 0.000 1.933 98 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 98 A C 2.089 179.722 177.584 0.082 0.000 1.175 98 A CA 1.447 53.501 52.037 0.028 0.000 0.628 98 A CB -0.538 18.417 19.000 -0.075 0.000 0.814 98 A HN 0.595 nan 8.150 nan 0.000 0.444 99 Q N 0.058 119.883 119.800 0.041 0.000 2.365 99 Q HA -0.005 4.335 4.340 -0.000 0.000 0.203 99 Q C 0.198 176.212 176.000 0.022 0.000 0.929 99 Q CA 0.046 55.864 55.803 0.025 0.000 0.948 99 Q CB -0.253 28.487 28.738 0.004 0.000 1.043 99 Q HN 0.847 nan 8.270 nan 0.000 0.505 100 R N 0.724 121.245 120.500 0.035 0.000 2.500 100 R HA -0.069 4.271 4.340 -0.000 0.000 0.281 100 R C 0.005 176.293 176.300 -0.021 0.000 0.953 100 R CA 0.107 56.202 56.100 -0.007 0.000 1.108 100 R CB 0.036 30.310 30.300 -0.044 0.000 0.901 100 R HN -0.216 nan 8.270 nan 0.000 0.410 101 Q N 2.757 122.538 119.800 -0.032 0.000 2.323 101 Q HA 0.235 4.574 4.340 -0.000 0.000 0.257 101 Q C -0.121 175.848 176.000 -0.051 0.000 1.022 101 Q CA 0.411 56.189 55.803 -0.041 0.000 0.919 101 Q CB 1.183 29.900 28.738 -0.035 0.000 1.220 101 Q HN 0.768 nan 8.270 nan 0.000 0.427 102 G N 3.312 112.058 108.800 -0.090 0.000 2.636 102 G HA2 0.273 4.233 3.960 -0.000 0.000 0.246 102 G HA3 0.273 4.233 3.960 -0.000 0.000 0.246 102 G C -0.477 174.352 174.900 -0.118 0.000 1.216 102 G CA -0.527 44.488 45.100 -0.142 0.000 0.854 102 G HN 0.741 nan 8.290 nan 0.000 0.572 103 F N -0.152 119.767 119.950 -0.053 0.000 2.553 103 F HA 0.590 5.117 4.527 -0.000 0.000 0.356 103 F C 0.617 176.384 175.800 -0.056 0.000 1.142 103 F CA -0.428 57.542 58.000 -0.050 0.000 1.322 103 F CB 0.475 39.454 39.000 -0.035 0.000 1.126 103 F HN 0.641 nan 8.300 nan 0.000 0.599 104 G N 1.518 110.366 108.800 0.079 0.000 2.782 104 G HA2 0.496 4.456 3.960 -0.000 0.000 0.304 104 G HA3 0.496 4.456 3.960 -0.000 0.000 0.304 104 G C -2.791 172.107 174.900 -0.003 0.000 1.315 104 G CA -1.228 43.858 45.100 -0.023 0.000 0.791 104 G HN 0.276 nan 8.290 nan 0.000 0.519 105 P HA 0.025 nan 4.420 nan 0.000 0.221 105 P C 1.767 178.959 177.300 -0.181 0.000 1.145 105 P CA 1.565 64.634 63.100 -0.052 0.000 0.795 105 P CB 0.147 31.834 31.700 -0.023 0.000 0.775 106 G N -1.346 107.230 108.800 -0.373 0.000 2.650 106 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.214 106 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.214 106 G C 0.440 175.072 174.900 -0.447 0.000 1.136 106 G CA 0.139 44.700 45.100 -0.898 0.000 0.789 106 G HN 0.220 nan 8.290 nan 0.000 0.536 107 D N 0.051 120.346 120.400 -0.174 0.000 2.340 107 D HA 0.567 5.207 4.640 -0.000 0.000 0.251 107 D C -0.236 176.071 176.300 0.012 0.000 1.080 107 D CA 0.077 54.050 54.000 -0.045 0.000 0.971 107 D CB 1.898 42.734 40.800 0.061 0.000 1.137 107 D HN 0.107 nan 8.370 nan 0.000 0.475 108 A N 1.286 124.151 122.820 0.075 0.000 2.398 108 A HA 0.564 4.884 4.320 -0.000 0.000 0.301 108 A C -0.687 177.142 177.584 0.407 0.000 1.041 108 A CA -0.625 51.536 52.037 0.206 0.000 0.711 108 A CB 0.789 19.828 19.000 0.066 0.000 1.240 108 A HN 0.461 nan 8.150 nan 0.000 0.420 109 I N 2.082 122.880 120.570 0.380 0.000 2.336 109 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 109 I C -0.850 175.394 176.117 0.211 0.000 0.991 109 I CA -0.521 60.926 61.300 0.244 0.000 1.227 109 I CB 1.289 39.339 38.000 0.083 0.000 1.366 109 I HN 0.727 nan 8.210 nan 0.000 0.466 110 Y N 6.484 126.695 120.300 -0.150 0.000 2.335 110 Y HA 0.286 4.836 4.550 -0.000 0.000 0.339 110 Y C -0.021 175.729 175.900 -0.251 0.000 0.987 110 Y CA -0.207 57.620 58.100 -0.455 0.000 1.140 110 Y CB 0.982 39.015 38.460 -0.713 0.000 1.173 110 Y HN 0.508 nan 8.280 nan 0.000 0.486 111 Q N 7.703 127.193 119.800 -0.517 0.000 2.271 111 Q HA 0.590 4.930 4.340 -0.000 0.000 0.258 111 Q C -1.269 174.328 176.000 -0.672 0.000 0.936 111 Q CA -0.828 54.624 55.803 -0.585 0.000 0.909 111 Q CB 1.122 29.451 28.738 -0.682 0.000 1.253 111 Q HN 0.852 nan 8.270 nan 0.000 0.440 112 I N -0.069 120.137 120.570 -0.606 0.000 2.892 112 I HA 0.522 4.692 4.170 -0.000 0.000 0.306 112 I C -0.856 175.064 176.117 -0.328 0.000 1.078 112 I CA -1.311 59.709 61.300 -0.467 0.000 1.032 112 I CB 2.304 39.962 38.000 -0.570 0.000 1.229 112 I HN 0.520 nan 8.210 nan 0.000 0.435 113 M N 4.409 123.952 119.600 -0.095 0.000 2.080 113 M HA 0.331 4.811 4.480 -0.000 0.000 0.350 113 M C -1.728 174.616 176.300 0.073 0.000 1.173 113 M CA -1.595 53.697 55.300 -0.013 0.000 1.052 113 M CB 1.516 34.219 32.600 0.172 0.000 1.577 113 M HN 0.453 nan 8.290 nan 0.000 0.455 114 P HA -0.213 nan 4.420 nan 0.000 0.216 114 P C 0.703 178.159 177.300 0.259 0.000 1.150 114 P CA 1.665 64.748 63.100 -0.028 0.000 0.837 114 P CB 0.104 31.489 31.700 -0.524 0.000 0.786 115 D N -0.899 119.752 120.400 0.418 0.000 2.264 115 D HA -0.131 4.509 4.640 -0.000 0.000 0.208 115 D C 1.583 178.218 176.300 0.559 0.000 0.966 115 D CA 0.830 55.162 54.000 0.553 0.000 0.864 115 D CB 0.005 41.129 40.800 0.540 0.000 0.933 115 D HN -0.087 nan 8.370 nan 0.000 0.499 116 R N -0.957 119.855 120.500 0.519 0.000 2.437 116 R HA 0.126 4.466 4.340 -0.000 0.000 0.257 116 R C 0.900 177.639 176.300 0.732 0.000 0.927 116 R CA -0.150 56.308 56.100 0.598 0.000 1.078 116 R CB -0.334 30.195 30.300 0.381 0.000 1.161 116 R HN 0.252 nan 8.270 nan 0.000 0.529 117 F N 0.808 120.996 119.950 0.397 0.000 2.287 117 F HA 0.487 5.014 4.527 -0.000 0.000 0.276 117 F C -0.095 175.862 175.800 0.261 0.000 1.047 117 F CA -0.006 58.162 58.000 0.281 0.000 1.194 117 F CB 0.213 39.269 39.000 0.092 0.000 1.118 117 F HN -0.123 nan 8.300 nan 0.000 0.556 118 A N 0.779 123.515 122.820 -0.141 0.000 2.465 118 A HA 0.424 4.744 4.320 -0.000 0.000 0.292 118 A C -1.501 175.762 177.584 -0.536 0.000 1.041 118 A CA -0.614 51.137 52.037 -0.477 0.000 0.718 118 A CB 0.342 19.098 19.000 -0.408 0.000 1.266 118 A HN 0.231 nan 8.150 nan 0.000 0.403 119 N N 2.213 120.316 118.700 -0.995 0.000 2.719 119 N HA 0.286 5.026 4.740 -0.000 0.000 0.243 119 N C 1.160 176.435 175.510 -0.393 0.000 1.104 119 N CA 0.460 53.067 53.050 -0.738 0.000 0.981 119 N CB 0.867 38.637 38.487 -1.195 0.000 1.290 119 N HN 0.728 nan 8.380 nan 0.000 0.513 120 G N 1.039 109.707 108.800 -0.220 0.000 2.511 120 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.217 120 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.217 120 G C 0.103 174.943 174.900 -0.100 0.000 1.133 120 G CA 0.191 45.205 45.100 -0.143 0.000 0.792 120 G HN 0.542 nan 8.290 nan 0.000 0.539 121 D N -1.015 119.335 120.400 -0.084 0.000 2.330 121 D HA 0.326 4.966 4.640 -0.000 0.000 0.249 121 D C -2.036 174.244 176.300 -0.033 0.000 1.306 121 D CA -1.941 52.033 54.000 -0.043 0.000 0.956 121 D CB 1.762 42.552 40.800 -0.016 0.000 1.261 121 D HN -0.105 nan 8.370 nan 0.000 0.544 122 P HA -0.113 nan 4.420 nan 0.000 0.222 122 P C 1.331 178.640 177.300 0.015 0.000 1.147 122 P CA 0.861 63.963 63.100 0.003 0.000 0.790 122 P CB 0.218 31.928 31.700 0.018 0.000 0.780 123 S N 0.124 115.828 115.700 0.007 0.000 2.447 123 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 123 S C 1.529 176.135 174.600 0.009 0.000 1.006 123 S CA 1.136 59.342 58.200 0.009 0.000 0.957 123 S CB -1.326 61.877 63.200 0.006 0.000 0.773 123 S HN 0.221 nan 8.310 nan 0.000 0.507 124 N N 1.026 119.732 118.700 0.009 0.000 2.270 124 N HA 0.080 4.820 4.740 -0.000 0.000 0.198 124 N C 0.244 175.753 175.510 -0.003 0.000 1.117 124 N CA 0.338 53.391 53.050 0.005 0.000 0.845 124 N CB -0.390 38.104 38.487 0.011 0.000 0.980 124 N HN 0.166 nan 8.380 nan 0.000 0.486 125 D N 0.329 120.739 120.400 0.016 0.000 2.149 125 D HA -0.084 4.556 4.640 -0.000 0.000 0.198 125 D C -0.146 176.158 176.300 0.006 0.000 0.990 125 D CA 1.205 55.224 54.000 0.031 0.000 0.839 125 D CB -0.078 40.766 40.800 0.074 0.000 0.948 125 D HN 0.335 nan 8.370 nan 0.000 0.460 126 N N -0.239 118.462 118.700 0.002 0.000 2.314 126 N HA 0.367 5.107 4.740 -0.000 0.000 0.304 126 N C -1.052 174.448 175.510 -0.016 0.000 1.073 126 N CA -0.438 52.605 53.050 -0.012 0.000 0.822 126 N CB 3.040 41.525 38.487 -0.005 0.000 1.280 126 N HN -0.242 nan 8.380 nan 0.000 0.489 127 V N 1.021 120.920 119.914 -0.025 0.000 2.483 127 V HA 0.461 4.581 4.120 -0.000 0.000 0.297 127 V C 0.130 176.212 176.094 -0.020 0.000 1.027 127 V CA -1.104 61.184 62.300 -0.020 0.000 0.855 127 V CB 1.451 33.259 31.823 -0.025 0.000 0.995 127 V HN 0.828 nan 8.190 nan 0.000 0.424 128 A N 3.663 126.474 122.820 -0.014 0.000 2.566 128 A HA 0.505 4.824 4.320 -0.000 0.000 0.245 128 A C 1.520 179.093 177.584 -0.017 0.000 1.056 128 A CA 1.079 53.108 52.037 -0.014 0.000 0.757 128 A CB -0.439 18.556 19.000 -0.010 0.000 0.979 128 A HN 2.204 nan 8.150 nan 0.000 0.508 129 G N 1.497 110.285 108.800 -0.020 0.000 2.284 129 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 129 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 129 G C 0.402 175.283 174.900 -0.032 0.000 1.009 129 G CA 0.175 45.262 45.100 -0.022 0.000 0.625 129 G HN 0.735 nan 8.290 nan 0.000 0.501 130 M N 0.380 119.957 119.600 -0.037 0.000 2.226 130 M HA 0.361 4.841 4.480 -0.000 0.000 0.324 130 M C 1.699 177.960 176.300 -0.064 0.000 1.112 130 M CA -0.067 55.201 55.300 -0.053 0.000 1.176 130 M CB 0.608 33.174 32.600 -0.056 0.000 1.430 130 M HN 0.152 nan 8.290 nan 0.000 0.462 131 R N 0.336 120.780 120.500 -0.093 0.000 2.240 131 R HA 0.059 4.399 4.340 -0.000 0.000 0.203 131 R C 0.210 176.456 176.300 -0.091 0.000 1.011 131 R CA 0.602 56.635 56.100 -0.112 0.000 1.007 131 R CB 0.253 30.428 30.300 -0.208 0.000 0.911 131 R HN 0.620 nan 8.270 nan 0.000 0.468 132 E N 0.761 120.913 120.200 -0.080 0.000 2.222 132 E HA 0.116 4.466 4.350 -0.000 0.000 0.267 132 E C -0.904 175.664 176.600 -0.053 0.000 0.884 132 E CA -0.643 55.715 56.400 -0.070 0.000 0.764 132 E CB 1.281 30.936 29.700 -0.075 0.000 1.169 132 E HN -0.141 nan 8.360 nan 0.000 0.413 133 Q N 1.398 121.170 119.800 -0.046 0.000 2.243 133 Q HA 0.413 4.753 4.340 -0.000 0.000 0.252 133 Q C -0.478 175.509 176.000 -0.021 0.000 0.909 133 Q CA -0.458 55.328 55.803 -0.028 0.000 0.922 133 Q CB 1.706 30.431 28.738 -0.021 0.000 1.215 133 Q HN 0.627 nan 8.270 nan 0.000 0.427 134 A N 2.248 125.070 122.820 0.003 0.000 2.483 134 A HA 0.184 4.504 4.320 -0.000 0.000 0.238 134 A C -0.115 177.488 177.584 0.031 0.000 1.070 134 A CA 0.211 52.270 52.037 0.036 0.000 0.770 134 A CB 0.164 19.206 19.000 0.070 0.000 1.008 134 A HN 0.635 nan 8.150 nan 0.000 0.497 135 D N 0.541 120.973 120.400 0.054 0.000 2.319 135 D HA 0.164 4.804 4.640 -0.000 0.000 0.237 135 D C 0.742 177.051 176.300 0.014 0.000 1.353 135 D CA -0.461 53.559 54.000 0.033 0.000 0.992 135 D CB 0.603 41.426 40.800 0.039 0.000 1.368 135 D HN 0.559 nan 8.370 nan 0.000 0.564 136 R N 2.128 122.550 120.500 -0.130 0.000 2.152 136 R HA 0.023 4.363 4.340 -0.000 0.000 0.232 136 R C 1.479 177.385 176.300 -0.656 0.000 1.117 136 R CA 1.122 56.898 56.100 -0.540 0.000 0.981 136 R CB 0.297 30.340 30.300 -0.428 0.000 0.870 136 R HN 0.253 nan 8.270 nan 0.000 0.451 137 R N -1.229 119.108 120.500 -0.271 0.000 2.299 137 R HA -0.018 4.322 4.340 -0.000 0.000 0.197 137 R C 0.034 176.290 176.300 -0.072 0.000 0.971 137 R CA 0.194 56.183 56.100 -0.185 0.000 1.030 137 R CB -0.014 30.214 30.300 -0.121 0.000 0.932 137 R HN 0.303 nan 8.270 nan 0.000 0.477 138 H N -0.810 118.216 119.070 -0.073 0.000 2.604 138 H HA 0.145 4.701 4.556 -0.000 0.000 0.306 138 H C 1.323 176.695 175.328 0.072 0.000 1.075 138 H CA -0.302 55.739 56.048 -0.012 0.000 1.357 138 H CB 1.419 31.161 29.762 -0.032 0.000 1.426 138 H HN 0.105 nan 8.280 nan 0.000 0.470 139 G N 2.763 111.651 108.800 0.146 0.000 2.450 139 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 139 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 139 G C 1.366 176.330 174.900 0.107 0.000 1.130 139 G CA 0.569 45.749 45.100 0.134 0.000 0.760 139 G HN 0.709 nan 8.290 nan 0.000 0.557 140 G N -0.171 108.847 108.800 0.364 0.000 3.337 140 G HA2 0.489 4.449 3.960 -0.000 0.000 0.246 140 G HA3 0.489 4.449 3.960 -0.000 0.000 0.246 140 G C 0.651 175.391 174.900 -0.267 0.000 1.131 140 G CA 0.454 45.639 45.100 0.140 0.000 0.773 140 G HN 0.606 nan 8.290 nan 0.000 0.544 141 G N -0.182 108.454 108.800 -0.274 0.000 2.535 141 G HA2 0.522 4.482 3.960 -0.000 0.000 0.303 141 G HA3 0.522 4.482 3.960 -0.000 0.000 0.303 141 G C -0.324 174.463 174.900 -0.189 0.000 1.237 141 G CA -0.992 43.953 45.100 -0.257 0.000 0.986 141 G HN 0.235 nan 8.290 nan 0.000 0.494 142 R N -0.676 119.827 120.500 0.006 0.000 2.308 142 R HA 0.267 4.607 4.340 -0.000 0.000 0.305 142 R C 0.224 176.692 176.300 0.279 0.000 1.053 142 R CA -0.229 55.932 56.100 0.101 0.000 0.957 142 R CB 0.906 31.255 30.300 0.083 0.000 1.022 142 R HN 0.744 nan 8.270 nan 0.000 0.461 143 H N 0.722 119.879 119.070 0.145 0.000 2.654 143 H HA 0.140 4.696 4.556 -0.000 0.000 0.264 143 H C 1.031 176.673 175.328 0.522 0.000 0.954 143 H CA 0.217 56.396 56.048 0.219 0.000 1.199 143 H CB 1.042 30.853 29.762 0.082 0.000 1.446 143 H HN 1.005 nan 8.280 nan 0.000 0.516 144 G N 0.901 110.025 108.800 0.540 0.000 2.168 144 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.197 144 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.197 144 G C 0.625 175.655 174.900 0.217 0.000 0.997 144 G CA -0.228 45.080 45.100 0.346 0.000 0.658 144 G HN 0.594 nan 8.290 nan 0.000 0.513 145 G N 0.263 109.258 108.800 0.326 0.000 2.544 145 G HA2 0.579 4.539 3.960 -0.000 0.000 0.242 145 G HA3 0.579 4.539 3.960 -0.000 0.000 0.242 145 G C -0.038 175.023 174.900 0.267 0.000 1.247 145 G CA 0.906 46.076 45.100 0.117 0.000 0.840 145 G HN 1.012 nan 8.290 nan 0.000 0.578 146 D N -0.549 119.956 120.400 0.175 0.000 2.677 146 D HA 0.215 4.855 4.640 -0.000 0.000 0.298 146 D C 1.020 177.419 176.300 0.165 0.000 1.250 146 D CA -0.888 53.272 54.000 0.266 0.000 0.888 146 D CB 0.467 41.364 40.800 0.162 0.000 1.397 146 D HN 0.199 nan 8.370 nan 0.000 0.461 147 I N -0.496 120.177 120.570 0.173 0.000 2.226 147 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 147 I C 2.613 178.771 176.117 0.069 0.000 1.100 147 I CA 0.959 62.331 61.300 0.121 0.000 1.374 147 I CB -0.226 37.866 38.000 0.153 0.000 1.057 147 I HN 0.424 nan 8.210 nan 0.000 0.413 148 R N 1.187 121.715 120.500 0.047 0.000 2.096 148 R HA -0.193 4.147 4.340 -0.000 0.000 0.240 148 R C 2.329 178.600 176.300 -0.047 0.000 1.139 148 R CA 2.026 58.122 56.100 -0.007 0.000 0.952 148 R CB -0.699 29.591 30.300 -0.016 0.000 0.854 148 R HN 0.424 nan 8.270 nan 0.000 0.436 149 G N -0.729 108.045 108.800 -0.042 0.000 2.446 149 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 149 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 149 G C 1.353 176.269 174.900 0.026 0.000 1.168 149 G CA 1.310 46.368 45.100 -0.069 0.000 0.771 149 G HN 0.389 nan 8.290 nan 0.000 0.551 150 T N 1.440 116.080 114.554 0.143 0.000 2.652 150 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 150 T C 2.386 177.165 174.700 0.130 0.000 1.039 150 T CA 1.245 63.512 62.100 0.278 0.000 1.153 150 T CB -0.228 68.769 68.868 0.215 0.000 0.863 150 T HN 0.255 nan 8.240 nan 0.000 0.428 151 I N 1.284 121.869 120.570 0.025 0.000 2.208 151 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 151 I C 2.301 178.349 176.117 -0.115 0.000 1.097 151 I CA 1.234 62.513 61.300 -0.036 0.000 1.363 151 I CB -0.453 37.520 38.000 -0.044 0.000 1.051 151 I HN 0.144 nan 8.210 nan 0.000 0.413 152 D N -0.049 120.216 120.400 -0.224 0.000 2.228 152 D HA -0.188 4.452 4.640 -0.000 0.000 0.203 152 D C 1.575 177.460 176.300 -0.691 0.000 0.988 152 D CA 1.392 55.098 54.000 -0.491 0.000 0.864 152 D CB -0.193 40.191 40.800 -0.695 0.000 0.928 152 D HN 0.482 nan 8.370 nan 0.000 0.469 153 H N -0.813 118.141 119.070 -0.194 0.000 2.581 153 H HA 0.233 4.788 4.556 -0.000 0.000 0.275 153 H C 1.914 177.273 175.328 0.052 0.000 1.126 153 H CA -0.144 55.776 56.048 -0.213 0.000 1.097 153 H CB 0.471 29.852 29.762 -0.634 0.000 1.626 153 H HN 0.115 nan 8.280 nan 0.000 0.565 154 L N 0.232 121.503 121.223 0.080 0.000 2.079 154 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 154 L C 1.957 178.859 176.870 0.053 0.000 1.081 154 L CA 1.229 56.104 54.840 0.059 0.000 0.752 154 L CB -0.149 41.913 42.059 0.005 0.000 0.896 154 L HN 0.093 nan 8.230 nan 0.000 0.433 155 D N -0.782 119.646 120.400 0.048 0.000 2.123 155 D HA -0.254 4.386 4.640 -0.000 0.000 0.196 155 D C 1.880 178.246 176.300 0.110 0.000 0.992 155 D CA 1.398 55.432 54.000 0.056 0.000 0.833 155 D CB -0.223 40.604 40.800 0.045 0.000 0.954 155 D HN 0.368 nan 8.370 nan 0.000 0.455 156 Y N 1.332 121.673 120.300 0.070 0.000 2.145 156 Y HA -0.154 4.396 4.550 -0.000 0.000 0.286 156 Y C 2.197 178.137 175.900 0.066 0.000 1.145 156 Y CA 1.309 59.493 58.100 0.140 0.000 1.148 156 Y CB -0.444 38.200 38.460 0.306 0.000 0.981 156 Y HN -0.098 nan 8.280 nan 0.000 0.507 157 I N 0.409 120.930 120.570 -0.081 0.000 2.179 157 I HA -0.316 3.854 4.170 -0.000 0.000 0.242 157 I C 2.707 178.721 176.117 -0.171 0.000 1.088 157 I CA 1.345 62.431 61.300 -0.357 0.000 1.357 157 I CB -0.859 36.934 38.000 -0.345 0.000 1.051 157 I HN 0.343 nan 8.210 nan 0.000 0.409 158 A N 1.009 123.786 122.820 -0.072 0.000 1.902 158 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 158 A C 2.455 180.003 177.584 -0.060 0.000 1.181 158 A CA 1.789 53.805 52.037 -0.036 0.000 0.623 158 A CB -1.458 17.531 19.000 -0.018 0.000 0.818 158 A HN 0.465 nan 8.150 nan 0.000 0.443 159 G N -0.210 108.546 108.800 -0.072 0.000 2.450 159 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.220 159 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.220 159 G C 1.449 176.281 174.900 -0.113 0.000 1.130 159 G CA 0.995 46.055 45.100 -0.067 0.000 0.760 159 G HN 0.451 nan 8.290 nan 0.000 0.557 160 L N -0.053 121.055 121.223 -0.191 0.000 2.362 160 L HA 0.154 4.494 4.340 -0.000 0.000 0.219 160 L C 2.161 178.878 176.870 -0.254 0.000 1.134 160 L CA 0.784 55.519 54.840 -0.175 0.000 0.807 160 L CB -0.043 41.945 42.059 -0.118 0.000 0.927 160 L HN 0.453 nan 8.230 nan 0.000 0.447 161 G N -1.310 107.347 108.800 -0.238 0.000 2.168 161 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.197 161 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.197 161 G C 0.015 174.657 174.900 -0.430 0.000 0.997 161 G CA -0.680 44.229 45.100 -0.318 0.000 0.658 161 G HN 0.093 nan 8.290 nan 0.000 0.513 162 F N 1.185 121.079 119.950 -0.094 0.000 2.375 162 F HA 0.555 5.082 4.527 -0.000 0.000 0.333 162 F C 1.689 177.463 175.800 -0.043 0.000 1.104 162 F CA 0.690 58.661 58.000 -0.048 0.000 1.149 162 F CB 1.786 40.768 39.000 -0.030 0.000 1.190 162 F HN 0.081 nan 8.300 nan 0.000 0.533 163 T N -2.107 112.546 114.554 0.164 0.000 3.043 163 T HA 0.290 4.640 4.350 -0.000 0.000 0.272 163 T C -0.014 174.731 174.700 0.074 0.000 0.990 163 T CA -0.198 61.945 62.100 0.071 0.000 0.897 163 T CB 0.121 69.000 68.868 0.018 0.000 1.111 163 T HN 0.437 nan 8.240 nan 0.000 0.529 164 Q N 0.787 120.655 119.800 0.113 0.000 2.340 164 Q HA 0.548 4.888 4.340 -0.000 0.000 0.276 164 Q C -2.036 174.008 176.000 0.074 0.000 1.048 164 Q CA -0.724 55.114 55.803 0.058 0.000 0.832 164 Q CB 3.014 31.751 28.738 -0.003 0.000 1.373 164 Q HN 0.298 nan 8.270 nan 0.000 0.409 165 L N 2.591 123.837 121.223 0.038 0.000 2.305 165 L HA 0.609 4.949 4.340 -0.000 0.000 0.284 165 L C -1.648 175.270 176.870 0.080 0.000 1.013 165 L CA -0.275 54.590 54.840 0.043 0.000 0.819 165 L CB 1.030 43.089 42.059 0.000 0.000 1.227 165 L HN 0.700 nan 8.230 nan 0.000 0.417 166 W N 9.828 131.052 121.300 -0.126 0.000 2.338 166 W HA 0.649 5.309 4.660 -0.000 0.000 0.315 166 W C -2.747 173.688 176.519 -0.140 0.000 1.005 166 W CA -2.950 54.308 57.345 -0.145 0.000 1.380 166 W CB 0.828 30.174 29.460 -0.190 0.000 1.235 166 W HN 0.397 nan 8.180 nan 0.000 0.409 167 P HA 0.226 nan 4.420 nan 0.000 0.290 167 P C 0.298 177.476 177.300 -0.203 0.000 1.276 167 P CA -0.025 62.928 63.100 -0.246 0.000 0.808 167 P CB 1.380 33.012 31.700 -0.113 0.000 0.966 168 T N 0.871 115.195 114.554 -0.384 0.000 2.795 168 T HA 0.191 4.541 4.350 -0.000 0.000 0.314 168 T C -2.280 172.245 174.700 -0.292 0.000 1.069 168 T CA -1.401 60.544 62.100 -0.258 0.000 1.071 168 T CB -1.179 67.474 68.868 -0.359 0.000 0.988 168 T HN 0.225 nan 8.240 nan 0.000 0.543 169 P HA 0.143 nan 4.420 nan 0.000 0.264 169 P C -0.008 177.092 177.300 -0.334 0.000 1.183 169 P CA -0.078 62.802 63.100 -0.366 0.000 0.763 169 P CB 0.261 31.703 31.700 -0.429 0.000 0.807 170 L N 3.010 124.010 121.223 -0.373 0.000 2.664 170 L HA 0.063 4.403 4.340 -0.000 0.000 0.233 170 L C 0.623 177.436 176.870 -0.095 0.000 1.113 170 L CA 0.205 54.852 54.840 -0.321 0.000 0.896 170 L CB -0.159 41.620 42.059 -0.467 0.000 1.163 170 L HN 0.208 nan 8.230 nan 0.000 0.497 171 V N -1.772 118.023 119.914 -0.198 0.000 2.872 171 V HA 0.013 4.133 4.120 -0.000 0.000 0.307 171 V C 0.763 176.853 176.094 -0.006 0.000 1.072 171 V CA -0.985 61.267 62.300 -0.079 0.000 1.148 171 V CB 0.206 31.992 31.823 -0.063 0.000 0.954 171 V HN 0.291 nan 8.190 nan 0.000 0.490 172 E N 3.178 123.394 120.200 0.026 0.000 2.966 172 E HA -0.134 4.216 4.350 -0.000 0.000 0.254 172 E C -0.104 176.465 176.600 -0.052 0.000 0.923 172 E CA 0.592 56.989 56.400 -0.005 0.000 0.960 172 E CB -0.063 29.637 29.700 -0.001 0.000 0.901 172 E HN 0.860 nan 8.360 nan 0.000 0.525 173 N N 4.813 123.483 118.700 -0.051 0.000 2.804 173 N HA 0.023 4.762 4.740 -0.000 0.000 0.251 173 N C -1.311 174.165 175.510 -0.057 0.000 1.250 173 N CA -0.374 52.641 53.050 -0.059 0.000 0.820 173 N CB 0.685 39.118 38.487 -0.089 0.000 1.156 173 N HN 0.370 nan 8.380 nan 0.000 0.512 174 D N 2.068 122.441 120.400 -0.045 0.000 2.713 174 D HA 0.217 4.857 4.640 -0.000 0.000 0.229 174 D C -0.310 175.927 176.300 -0.106 0.000 1.136 174 D CA -0.134 53.825 54.000 -0.069 0.000 1.010 174 D CB -0.083 40.681 40.800 -0.060 0.000 1.084 174 D HN 0.421 nan 8.370 nan 0.000 0.495 175 A N 0.674 123.450 122.820 -0.072 0.000 2.281 175 A HA 0.678 4.998 4.320 -0.000 0.000 0.329 175 A C 1.262 178.766 177.584 -0.133 0.000 1.122 175 A CA -0.082 51.930 52.037 -0.041 0.000 0.850 175 A CB 1.226 20.307 19.000 0.136 0.000 1.207 175 A HN 0.326 nan 8.150 nan 0.000 0.495 176 A N 0.032 122.779 122.820 -0.123 0.000 2.014 176 A HA 0.470 4.790 4.320 -0.000 0.000 0.218 176 A C 1.087 178.658 177.584 -0.023 0.000 1.163 176 A CA 1.759 53.756 52.037 -0.066 0.000 0.652 176 A CB -0.385 18.618 19.000 0.005 0.000 0.808 176 A HN 2.163 nan 8.150 nan 0.000 0.449 177 A N -3.698 119.144 122.820 0.037 0.000 2.572 177 A HA 0.561 4.881 4.320 -0.000 0.000 0.295 177 A C -0.173 177.488 177.584 0.130 0.000 1.072 177 A CA -0.509 51.521 52.037 -0.012 0.000 0.691 177 A CB 0.095 19.119 19.000 0.040 0.000 1.291 177 A HN 0.879 nan 8.150 nan 0.000 0.404 178 Y N 0.411 120.753 120.300 0.070 0.000 3.491 178 Y HA -0.301 4.249 4.550 -0.000 0.000 0.215 178 Y C 1.988 177.818 175.900 -0.116 0.000 1.219 178 Y CA 1.189 59.373 58.100 0.141 0.000 1.485 178 Y CB -2.274 36.327 38.460 0.235 0.000 1.450 178 Y HN 1.051 nan 8.280 nan 0.000 0.603 179 S N -1.084 114.624 115.700 0.013 0.000 2.447 179 S HA -0.231 4.239 4.470 -0.000 0.000 0.233 179 S C 1.741 176.243 174.600 -0.162 0.000 1.006 179 S CA 0.993 59.126 58.200 -0.112 0.000 0.957 179 S CB -0.693 62.470 63.200 -0.061 0.000 0.773 179 S HN 0.696 nan 8.310 nan 0.000 0.507 180 Y N 3.075 123.317 120.300 -0.098 0.000 2.333 180 Y HA -0.124 4.426 4.550 -0.000 0.000 0.290 180 Y C 2.334 178.294 175.900 0.101 0.000 1.144 180 Y CA 1.322 59.431 58.100 0.015 0.000 1.228 180 Y CB -1.353 37.131 38.460 0.040 0.000 0.985 180 Y HN 0.667 nan 8.280 nan 0.000 0.542 181 H N -1.631 117.057 119.070 -0.637 0.000 2.535 181 H HA 0.309 4.865 4.556 -0.000 0.000 0.273 181 H C 1.909 177.104 175.328 -0.221 0.000 0.983 181 H CA 0.591 56.327 56.048 -0.520 0.000 1.238 181 H CB -0.130 29.335 29.762 -0.496 0.000 1.412 181 H HN 0.484 nan 8.280 nan 0.000 0.562 182 G N 0.981 109.678 108.800 -0.172 0.000 2.199 182 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.254 182 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.254 182 G C 0.377 175.161 174.900 -0.193 0.000 0.982 182 G CA 0.429 45.416 45.100 -0.188 0.000 0.632 182 G HN 0.525 nan 8.290 nan 0.000 0.529 183 Y N 0.846 121.350 120.300 0.340 0.000 2.529 183 Y HA 0.522 5.072 4.550 -0.000 0.000 0.290 183 Y C 1.857 177.896 175.900 0.231 0.000 1.177 183 Y CA 0.853 59.099 58.100 0.242 0.000 1.305 183 Y CB 0.486 39.050 38.460 0.173 0.000 1.047 183 Y HN 0.590 nan 8.280 nan 0.000 0.522 184 A N 0.418 123.391 122.820 0.256 0.000 3.105 184 A HA 0.732 5.052 4.320 -0.000 0.000 0.336 184 A C 0.181 177.788 177.584 0.040 0.000 1.042 184 A CA -0.556 51.596 52.037 0.191 0.000 0.851 184 A CB -0.699 18.422 19.000 0.202 0.000 1.068 184 A HN 0.170 nan 8.150 nan 0.000 0.477 185 A N 1.103 123.893 122.820 -0.050 0.000 2.540 185 A HA 0.444 4.764 4.320 -0.000 0.000 0.239 185 A C 1.333 178.822 177.584 -0.159 0.000 1.061 185 A CA 0.866 52.780 52.037 -0.205 0.000 0.758 185 A CB -0.039 18.626 19.000 -0.559 0.000 0.991 185 A HN 1.339 nan 8.150 nan 0.000 0.502 186 T N -1.701 112.735 114.554 -0.197 0.000 3.010 186 T HA 0.281 4.631 4.350 -0.000 0.000 0.257 186 T C -0.141 174.170 174.700 -0.647 0.000 1.020 186 T CA 0.566 62.474 62.100 -0.320 0.000 0.938 186 T CB 0.151 68.944 68.868 -0.125 0.000 1.049 186 T HN 0.614 nan 8.240 nan 0.000 0.522 187 D N 0.160 120.330 120.400 -0.383 0.000 2.333 187 D HA 0.157 4.797 4.640 -0.000 0.000 0.225 187 D C 0.082 176.383 176.300 0.001 0.000 1.345 187 D CA -0.397 53.494 54.000 -0.183 0.000 0.971 187 D CB 0.748 41.558 40.800 0.016 0.000 1.451 187 D HN -0.017 nan 8.370 nan 0.000 0.561 188 H N 2.260 121.419 119.070 0.148 0.000 2.521 188 H HA -0.046 4.510 4.556 -0.000 0.000 0.286 188 H C 0.389 175.820 175.328 0.172 0.000 1.034 188 H CA 1.029 57.185 56.048 0.180 0.000 1.278 188 H CB 0.454 30.337 29.762 0.203 0.000 1.386 188 H HN 0.484 nan 8.280 nan 0.000 0.567 189 Y N -0.227 120.256 120.300 0.305 0.000 2.524 189 Y HA 0.218 4.768 4.550 -0.000 0.000 0.266 189 Y C 0.852 176.884 175.900 0.221 0.000 1.180 189 Y CA -0.085 58.035 58.100 0.034 0.000 1.244 189 Y CB 0.789 39.052 38.460 -0.329 0.000 1.125 189 Y HN -0.125 nan 8.280 nan 0.000 0.524 190 R N 0.791 121.569 120.500 0.463 0.000 2.538 190 R HA 0.323 4.663 4.340 -0.000 0.000 0.292 190 R C -1.148 175.364 176.300 0.354 0.000 1.008 190 R CA -0.717 55.623 56.100 0.399 0.000 0.896 190 R CB 1.008 31.455 30.300 0.244 0.000 1.187 190 R HN -0.049 nan 8.270 nan 0.000 0.440 191 I N 3.198 123.994 120.570 0.378 0.000 2.752 191 I HA -0.087 4.083 4.170 -0.000 0.000 0.289 191 I C 0.788 177.017 176.117 0.186 0.000 1.197 191 I CA 0.493 61.925 61.300 0.220 0.000 1.432 191 I CB 0.124 38.273 38.000 0.249 0.000 1.359 191 I HN 0.658 nan 8.210 nan 0.000 0.571 192 D N 9.220 129.722 120.400 0.171 0.000 2.487 192 D HA -0.015 4.625 4.640 -0.000 0.000 0.243 192 D C -1.617 174.710 176.300 0.045 0.000 1.154 192 D CA -1.041 53.000 54.000 0.070 0.000 0.876 192 D CB 1.484 42.271 40.800 -0.022 0.000 1.161 192 D HN 0.253 nan 8.370 nan 0.000 0.478 193 P HA -0.081 nan 4.420 nan 0.000 0.225 193 P C 0.859 178.150 177.300 -0.015 0.000 1.148 193 P CA 0.897 64.016 63.100 0.030 0.000 0.779 193 P CB 0.253 31.965 31.700 0.019 0.000 0.780 194 R N -1.999 118.427 120.500 -0.124 0.000 2.189 194 R HA -0.071 4.269 4.340 -0.000 0.000 0.218 194 R C 1.728 177.930 176.300 -0.163 0.000 1.074 194 R CA 1.095 57.087 56.100 -0.180 0.000 0.991 194 R CB -0.958 29.177 30.300 -0.277 0.000 0.883 194 R HN 0.293 nan 8.270 nan 0.000 0.457 195 Y N -0.783 119.549 120.300 0.054 0.000 2.397 195 Y HA 0.296 4.846 4.550 -0.000 0.000 0.292 195 Y C 1.502 177.447 175.900 0.074 0.000 1.115 195 Y CA 0.633 58.771 58.100 0.063 0.000 1.208 195 Y CB 0.072 38.567 38.460 0.059 0.000 1.046 195 Y HN 0.191 nan 8.280 nan 0.000 0.552 196 G N -0.803 108.124 108.800 0.211 0.000 2.278 196 G HA2 0.183 4.143 3.960 -0.000 0.000 0.265 196 G HA3 0.183 4.143 3.960 -0.000 0.000 0.265 196 G C -0.865 174.149 174.900 0.191 0.000 1.329 196 G CA -0.516 44.688 45.100 0.173 0.000 1.017 196 G HN 0.330 nan 8.290 nan 0.000 0.472 197 S N -0.526 115.295 115.700 0.201 0.000 2.745 197 S HA 0.536 5.006 4.470 -0.000 0.000 0.292 197 S C 1.139 175.941 174.600 0.336 0.000 1.133 197 S CA 0.204 58.545 58.200 0.234 0.000 0.998 197 S CB 1.637 64.955 63.200 0.196 0.000 1.087 197 S HN 0.606 nan 8.310 nan 0.000 0.551 198 N N 1.153 120.104 118.700 0.419 0.000 2.094 198 N HA -0.110 4.630 4.740 -0.000 0.000 0.191 198 N C 1.437 177.271 175.510 0.541 0.000 1.023 198 N CA 1.701 55.125 53.050 0.624 0.000 0.857 198 N CB -0.689 38.233 38.487 0.726 0.000 1.013 198 N HN 0.708 nan 8.380 nan 0.000 0.426 199 E N 0.550 120.978 120.200 0.380 0.000 2.106 199 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 199 E C 1.341 178.043 176.600 0.169 0.000 0.984 199 E CA 0.834 57.380 56.400 0.243 0.000 0.806 199 E CB -0.215 29.596 29.700 0.186 0.000 0.750 199 E HN 0.320 nan 8.360 nan 0.000 0.458 200 D N -0.330 120.188 120.400 0.197 0.000 2.123 200 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 200 D C 1.649 178.053 176.300 0.173 0.000 0.992 200 D CA 0.730 54.825 54.000 0.158 0.000 0.833 200 D CB -0.284 40.620 40.800 0.174 0.000 0.954 200 D HN 0.142 nan 8.370 nan 0.000 0.455 201 F N 1.344 121.359 119.950 0.109 0.000 2.146 201 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 201 F C 2.200 178.010 175.800 0.017 0.000 1.096 201 F CA 0.831 58.879 58.000 0.081 0.000 1.275 201 F CB -0.263 38.834 39.000 0.161 0.000 1.008 201 F HN -0.218 nan 8.300 nan 0.000 0.480 202 V N 0.590 120.489 119.914 -0.024 0.000 2.343 202 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 202 V C 2.556 178.537 176.094 -0.189 0.000 1.051 202 V CA 2.270 64.435 62.300 -0.225 0.000 1.036 202 V CB -0.829 30.810 31.823 -0.307 0.000 0.654 202 V HN 0.276 nan 8.190 nan 0.000 0.451 203 R N -0.335 120.107 120.500 -0.098 0.000 2.092 203 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 203 R C 2.263 178.496 176.300 -0.111 0.000 1.119 203 R CA 1.448 57.500 56.100 -0.081 0.000 0.970 203 R CB -0.344 29.939 30.300 -0.029 0.000 0.864 203 R HN 0.463 nan 8.270 nan 0.000 0.440 204 L N 0.291 121.431 121.223 -0.138 0.000 2.012 204 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 204 L C 2.218 178.956 176.870 -0.221 0.000 1.073 204 L CA 2.297 57.038 54.840 -0.166 0.000 0.748 204 L CB -0.977 40.971 42.059 -0.186 0.000 0.891 204 L HN 0.123 nan 8.230 nan 0.000 0.431 205 S N -1.356 114.145 115.700 -0.332 0.000 2.356 205 S HA -0.219 4.251 4.470 -0.000 0.000 0.223 205 S C 2.071 176.566 174.600 -0.174 0.000 1.032 205 S CA 2.105 60.135 58.200 -0.283 0.000 1.005 205 S CB -0.712 62.283 63.200 -0.341 0.000 0.867 205 S HN 0.818 nan 8.310 nan 0.000 0.449 206 T N -0.440 114.023 114.554 -0.152 0.000 2.821 206 T HA 0.014 4.364 4.350 -0.000 0.000 0.267 206 T C 1.668 176.318 174.700 -0.083 0.000 1.046 206 T CA 1.140 63.177 62.100 -0.105 0.000 1.139 206 T CB -0.506 68.308 68.868 -0.090 0.000 0.871 206 T HN 0.280 nan 8.240 nan 0.000 0.454 207 E N 1.782 121.932 120.200 -0.083 0.000 2.106 207 E HA 0.039 4.389 4.350 -0.000 0.000 0.192 207 E C 2.630 179.194 176.600 -0.060 0.000 0.984 207 E CA 1.297 57.658 56.400 -0.065 0.000 0.806 207 E CB -0.772 28.891 29.700 -0.062 0.000 0.750 207 E HN 0.697 nan 8.360 nan 0.000 0.458 208 A N 1.390 124.166 122.820 -0.073 0.000 1.902 208 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 208 A C 2.238 179.792 177.584 -0.051 0.000 1.181 208 A CA 1.712 53.713 52.037 -0.059 0.000 0.623 208 A CB -0.501 18.455 19.000 -0.074 0.000 0.818 208 A HN 0.139 nan 8.150 nan 0.000 0.443 209 R N -0.107 120.356 120.500 -0.062 0.000 2.081 209 R HA -0.147 4.192 4.340 -0.000 0.000 0.235 209 R C 2.036 178.311 176.300 -0.041 0.000 1.131 209 R CA 1.854 57.923 56.100 -0.051 0.000 0.960 209 R CB -0.236 30.027 30.300 -0.061 0.000 0.856 209 R HN 0.509 nan 8.270 nan 0.000 0.436 210 K N -0.295 120.079 120.400 -0.042 0.000 2.211 210 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 210 K C 1.661 178.244 176.600 -0.028 0.000 1.047 210 K CA 1.324 57.590 56.287 -0.034 0.000 0.935 210 K CB 0.022 32.501 32.500 -0.035 0.000 0.728 210 K HN 0.112 nan 8.250 nan 0.000 0.452 211 R N -0.513 119.970 120.500 -0.028 0.000 2.426 211 R HA 0.068 4.408 4.340 -0.000 0.000 0.263 211 R C 0.378 176.666 176.300 -0.020 0.000 0.961 211 R CA 0.377 56.464 56.100 -0.022 0.000 1.086 211 R CB 0.637 30.925 30.300 -0.020 0.000 1.186 211 R HN 0.330 nan 8.270 nan 0.000 0.537 212 G N 1.131 109.918 108.800 -0.022 0.000 2.160 212 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.251 212 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.251 212 G C 0.011 174.903 174.900 -0.014 0.000 1.008 212 G CA 0.133 45.222 45.100 -0.020 0.000 0.724 212 G HN 0.220 nan 8.290 nan 0.000 0.514 213 M N 0.321 119.912 119.600 -0.015 0.000 2.393 213 M HA 0.565 5.045 4.480 -0.000 0.000 0.316 213 M C 0.819 177.109 176.300 -0.016 0.000 1.087 213 M CA -0.234 55.063 55.300 -0.005 0.000 0.937 213 M CB 2.122 34.722 32.600 -0.000 0.000 1.668 213 M HN 0.212 nan 8.290 nan 0.000 0.438 214 G N 1.622 110.421 108.800 -0.001 0.000 2.528 214 G HA2 0.607 4.567 3.960 -0.000 0.000 0.289 214 G HA3 0.607 4.567 3.960 -0.000 0.000 0.289 214 G C -1.657 173.231 174.900 -0.021 0.000 1.192 214 G CA -0.456 44.639 45.100 -0.007 0.000 0.921 214 G HN 0.563 nan 8.290 nan 0.000 0.512 215 L N 0.392 121.591 121.223 -0.039 0.000 2.349 215 L HA 0.627 4.967 4.340 -0.000 0.000 0.278 215 L C -0.700 176.167 176.870 -0.006 0.000 0.996 215 L CA -0.641 54.168 54.840 -0.051 0.000 0.825 215 L CB 1.520 43.489 42.059 -0.150 0.000 1.243 215 L HN 0.395 nan 8.230 nan 0.000 0.412 216 I N 4.510 125.092 120.570 0.021 0.000 2.362 216 I HA 0.380 4.550 4.170 -0.000 0.000 0.289 216 I C -0.258 175.909 176.117 0.085 0.000 0.994 216 I CA -0.495 60.814 61.300 0.015 0.000 1.158 216 I CB 1.675 39.578 38.000 -0.162 0.000 1.315 216 I HN 0.632 nan 8.210 nan 0.000 0.451 217 Q N 5.128 124.979 119.800 0.084 0.000 2.243 217 Q HA 0.149 4.489 4.340 -0.000 0.000 0.252 217 Q C -0.792 175.224 176.000 0.027 0.000 0.909 217 Q CA -0.619 55.241 55.803 0.095 0.000 0.922 217 Q CB 1.452 30.238 28.738 0.081 0.000 1.215 217 Q HN 0.466 nan 8.270 nan 0.000 0.427 218 D N 3.442 123.879 120.400 0.061 0.000 2.339 218 D HA 0.215 4.855 4.640 -0.000 0.000 0.241 218 D C -1.021 175.283 176.300 0.006 0.000 1.183 218 D CA -0.182 53.861 54.000 0.071 0.000 0.859 218 D CB 0.868 41.833 40.800 0.274 0.000 1.067 218 D HN 0.382 nan 8.370 nan 0.000 0.484 219 V N 1.791 121.726 119.914 0.035 0.000 2.459 219 V HA 0.600 4.720 4.120 -0.000 0.000 0.295 219 V C -0.060 176.059 176.094 0.042 0.000 1.029 219 V CA -0.873 61.450 62.300 0.040 0.000 0.874 219 V CB 1.618 33.492 31.823 0.084 0.000 0.985 219 V HN 0.164 nan 8.190 nan 0.000 0.438 220 V N 6.037 125.965 119.914 0.022 0.000 2.394 220 V HA 0.402 4.522 4.120 -0.000 0.000 0.282 220 V C 0.708 176.734 176.094 -0.113 0.000 1.031 220 V CA -0.236 62.016 62.300 -0.081 0.000 0.881 220 V CB 1.273 32.984 31.823 -0.187 0.000 0.982 220 V HN 0.924 nan 8.190 nan 0.000 0.451 221 L N 2.661 123.777 121.223 -0.177 0.000 2.467 221 L HA 0.104 4.444 4.340 -0.000 0.000 0.213 221 L C 2.275 179.008 176.870 -0.229 0.000 1.053 221 L CA 0.657 55.391 54.840 -0.177 0.000 0.847 221 L CB -0.095 41.865 42.059 -0.164 0.000 1.075 221 L HN 0.720 nan 8.230 nan 0.000 0.479 222 S N -0.827 114.732 115.700 -0.236 0.000 2.406 222 S HA -0.046 4.424 4.470 -0.000 0.000 0.228 222 S C 0.604 175.126 174.600 -0.129 0.000 1.020 222 S CA 0.379 58.480 58.200 -0.166 0.000 0.965 222 S CB -0.147 63.037 63.200 -0.027 0.000 0.798 222 S HN 0.531 nan 8.310 nan 0.000 0.488 223 H N -0.923 118.069 119.070 -0.129 0.000 2.985 223 H HA 0.622 5.178 4.556 -0.000 0.000 0.360 223 H C -0.503 174.790 175.328 -0.058 0.000 1.221 223 H CA -0.954 55.006 56.048 -0.147 0.000 1.121 223 H CB 1.029 30.684 29.762 -0.177 0.000 1.854 223 H HN 0.340 nan 8.280 nan 0.000 0.551 224 I N -1.462 119.140 120.570 0.053 0.000 3.445 224 I HA 0.784 4.954 4.170 -0.000 0.000 0.303 224 I C 0.099 176.250 176.117 0.057 0.000 1.129 224 I CA -1.421 59.894 61.300 0.024 0.000 0.989 224 I CB 2.049 40.012 38.000 -0.063 0.000 1.314 224 I HN 0.651 nan 8.210 nan 0.000 0.488 225 G N 0.556 109.385 108.800 0.049 0.000 2.476 225 G HA2 0.303 4.263 3.960 -0.000 0.000 0.286 225 G HA3 0.303 4.263 3.960 -0.000 0.000 0.286 225 G C 0.393 175.308 174.900 0.025 0.000 1.177 225 G CA -0.592 44.544 45.100 0.060 0.000 0.870 225 G HN 0.917 nan 8.290 nan 0.000 0.528 226 K N -0.702 119.685 120.400 -0.021 0.000 2.362 226 K HA -0.053 4.267 4.320 -0.000 0.000 0.200 226 K C 0.909 177.425 176.600 -0.140 0.000 1.046 226 K CA 1.062 57.297 56.287 -0.088 0.000 0.952 226 K CB 0.010 32.431 32.500 -0.132 0.000 0.753 226 K HN 0.500 nan 8.250 nan 0.000 0.466 227 H N 0.087 119.200 119.070 0.072 0.000 2.526 227 H HA 0.051 4.607 4.556 -0.000 0.000 0.274 227 H C -0.014 175.347 175.328 0.056 0.000 0.999 227 H CA -0.076 56.012 56.048 0.066 0.000 1.157 227 H CB -0.211 29.576 29.762 0.041 0.000 1.407 227 H HN 0.270 nan 8.280 nan 0.000 0.568 228 H N 1.817 120.890 119.070 0.005 0.000 3.001 228 H HA -0.131 4.425 4.556 -0.000 0.000 0.334 228 H C 1.270 176.543 175.328 -0.091 0.000 1.034 228 H CA 0.148 56.105 56.048 -0.151 0.000 1.420 228 H CB 0.420 29.980 29.762 -0.336 0.000 1.405 228 H HN 0.502 nan 8.280 nan 0.000 0.593 229 W N 4.977 126.216 121.300 -0.103 0.000 2.364 229 W HA -0.146 4.514 4.660 -0.000 0.000 0.281 229 W C 0.996 177.640 176.519 0.209 0.000 1.219 229 W CA -0.174 57.186 57.345 0.026 0.000 1.220 229 W CB -1.079 28.322 29.460 -0.098 0.000 1.127 229 W HN 0.537 nan 8.180 nan 0.000 0.556 230 W N 1.175 122.239 121.300 -0.394 0.000 2.331 230 W HA -0.212 4.448 4.660 -0.000 0.000 0.291 230 W C 2.366 178.774 176.519 -0.186 0.000 1.214 230 W CA 1.028 58.047 57.345 -0.544 0.000 1.228 230 W CB -1.260 27.692 29.460 -0.846 0.000 1.135 230 W HN -0.075 nan 8.180 nan 0.000 0.537 231 M N 0.012 119.718 119.600 0.175 0.000 2.476 231 M HA -0.094 4.386 4.480 -0.000 0.000 0.262 231 M C 1.579 177.971 176.300 0.152 0.000 1.079 231 M CA 1.143 56.528 55.300 0.142 0.000 1.104 231 M CB -1.156 31.519 32.600 0.125 0.000 1.409 231 M HN 0.065 nan 8.290 nan 0.000 0.467 232 K N -0.159 120.359 120.400 0.196 0.000 2.228 232 K HA -0.052 4.268 4.320 -0.000 0.000 0.202 232 K C 0.064 176.780 176.600 0.193 0.000 1.051 232 K CA 0.707 57.111 56.287 0.196 0.000 0.960 232 K CB 0.211 32.850 32.500 0.233 0.000 0.743 232 K HN 0.090 nan 8.250 nan 0.000 0.458 233 D N 0.275 120.806 120.400 0.218 0.000 2.445 233 D HA 0.138 4.778 4.640 -0.000 0.000 0.236 233 D C -1.162 175.224 176.300 0.142 0.000 1.315 233 D CA -0.255 53.882 54.000 0.227 0.000 0.924 233 D CB 0.315 41.319 40.800 0.340 0.000 1.447 233 D HN -0.102 nan 8.370 nan 0.000 0.532 234 L N 3.685 124.905 121.223 -0.005 0.000 2.584 234 L HA 0.144 4.484 4.340 -0.000 0.000 0.272 234 L C -1.102 175.479 176.870 -0.482 0.000 1.195 234 L CA -0.905 53.801 54.840 -0.223 0.000 0.920 234 L CB 0.486 42.487 42.059 -0.095 0.000 1.173 234 L HN 0.268 nan 8.230 nan 0.000 0.489 235 P HA -0.113 nan 4.420 nan 0.000 0.216 235 P C 0.266 177.125 177.300 -0.735 0.000 1.153 235 P CA 1.187 63.282 63.100 -1.674 0.000 0.858 235 P CB 0.128 30.323 31.700 -2.508 0.000 0.789 236 T N -7.649 106.650 114.554 -0.424 0.000 2.901 236 T HA 0.447 4.797 4.350 -0.000 0.000 0.293 236 T C -2.454 172.208 174.700 -0.063 0.000 1.084 236 T CA -2.260 59.761 62.100 -0.133 0.000 1.008 236 T CB 1.623 70.479 68.868 -0.020 0.000 1.170 236 T HN -0.292 nan 8.240 nan 0.000 0.509 237 P HA -0.024 nan 4.420 nan 0.000 0.219 237 P C 0.733 178.037 177.300 0.006 0.000 1.146 237 P CA 1.099 64.196 63.100 -0.005 0.000 0.808 237 P CB -0.019 31.680 31.700 -0.003 0.000 0.779 238 D N -2.790 117.606 120.400 -0.007 0.000 2.402 238 D HA -0.075 4.565 4.640 -0.000 0.000 0.216 238 D C 1.456 177.725 176.300 -0.052 0.000 1.128 238 D CA -0.497 53.481 54.000 -0.036 0.000 0.833 238 D CB -1.268 39.489 40.800 -0.072 0.000 0.971 238 D HN 0.236 nan 8.370 nan 0.000 0.503 239 W N 1.092 122.243 121.300 -0.248 0.000 2.338 239 W HA -0.046 4.614 4.660 -0.000 0.000 0.304 239 W C -0.267 176.074 176.519 -0.298 0.000 1.212 239 W CA 0.645 57.778 57.345 -0.353 0.000 1.264 239 W CB 0.252 29.413 29.460 -0.498 0.000 1.142 239 W HN -0.124 nan 8.180 nan 0.000 0.512 240 I N 1.697 122.265 120.570 -0.003 0.000 2.392 240 I HA 0.103 4.273 4.170 -0.000 0.000 0.295 240 I C 0.004 176.132 176.117 0.019 0.000 0.985 240 I CA -1.089 60.197 61.300 -0.024 0.000 1.221 240 I CB 0.401 38.459 38.000 0.097 0.000 1.366 240 I HN -0.123 nan 8.210 nan 0.000 0.467 241 N N 5.040 123.735 118.700 -0.008 0.000 2.395 241 N HA -0.017 4.723 4.740 -0.000 0.000 0.246 241 N C -0.774 174.864 175.510 0.213 0.000 1.246 241 N CA 0.277 53.305 53.050 -0.037 0.000 0.879 241 N CB -0.009 38.422 38.487 -0.093 0.000 1.098 241 N HN 0.415 nan 8.380 nan 0.000 0.444 242 Y N -0.368 120.016 120.300 0.141 0.000 3.689 242 Y HA -0.212 4.338 4.550 -0.000 0.000 0.221 242 Y C 1.337 177.282 175.900 0.075 0.000 1.247 242 Y CA 0.793 58.938 58.100 0.074 0.000 1.671 242 Y CB -2.158 36.304 38.460 0.002 0.000 1.521 242 Y HN 0.907 nan 8.280 nan 0.000 0.632 243 G N -1.102 107.780 108.800 0.137 0.000 2.225 243 G HA2 0.072 4.032 3.960 -0.000 0.000 0.267 243 G HA3 0.072 4.032 3.960 -0.000 0.000 0.267 243 G C 1.462 176.463 174.900 0.167 0.000 1.024 243 G CA 1.238 46.406 45.100 0.115 0.000 0.784 243 G HN 2.152 nan 8.290 nan 0.000 0.507 244 G N -1.247 107.722 108.800 0.281 0.000 2.162 244 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.260 244 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.260 244 G C 0.318 175.483 174.900 0.442 0.000 0.976 244 G CA 1.417 46.751 45.100 0.390 0.000 0.655 244 G HN 1.955 nan 8.290 nan 0.000 0.533 245 K N -0.677 119.864 120.400 0.235 0.000 2.156 245 K HA 0.722 5.042 4.320 -0.000 0.000 0.254 245 K C -0.004 176.193 176.600 -0.673 0.000 0.950 245 K CA -1.357 54.881 56.287 -0.082 0.000 0.849 245 K CB 1.561 34.020 32.500 -0.069 0.000 1.100 245 K HN 0.281 nan 8.250 nan 0.000 0.434 246 F N 3.305 122.541 119.950 -1.189 0.000 2.557 246 F HA 0.194 4.721 4.527 -0.000 0.000 0.384 246 F C -1.069 174.141 175.800 -0.984 0.000 1.057 246 F CA -0.048 56.942 58.000 -1.683 0.000 1.169 246 F CB 0.404 38.859 39.000 -0.909 0.000 1.070 246 F HN 0.224 nan 8.300 nan 0.000 0.554 247 V N 9.198 128.197 119.914 -1.524 0.000 2.447 247 V HA 0.329 4.449 4.120 -0.000 0.000 0.292 247 V C -2.134 173.370 176.094 -0.984 0.000 1.021 247 V CA -1.647 59.918 62.300 -1.226 0.000 0.850 247 V CB 1.683 32.799 31.823 -1.178 0.000 1.005 247 V HN 0.646 nan 8.190 nan 0.000 0.426 248 P HA 0.121 nan 4.420 nan 0.000 0.275 248 P C -0.000 177.158 177.300 -0.236 0.000 1.228 248 P CA 0.118 62.971 63.100 -0.412 0.000 0.786 248 P CB 0.963 32.481 31.700 -0.304 0.000 0.927 249 T N 1.682 116.151 114.554 -0.142 0.000 2.918 249 T HA 0.060 4.410 4.350 -0.000 0.000 0.302 249 T C 0.927 175.407 174.700 -0.366 0.000 1.045 249 T CA 0.154 62.116 62.100 -0.230 0.000 1.114 249 T CB 0.065 68.783 68.868 -0.250 0.000 0.965 249 T HN 0.249 nan 8.240 nan 0.000 0.540 250 Q N 1.613 121.253 119.800 -0.268 0.000 2.247 250 Q HA 0.245 4.585 4.340 -0.000 0.000 0.204 250 Q C -0.087 175.722 176.000 -0.319 0.000 0.872 250 Q CA 0.167 55.812 55.803 -0.264 0.000 0.951 250 Q CB -0.169 28.424 28.738 -0.242 0.000 1.099 250 Q HN 0.968 nan 8.270 nan 0.000 0.501 251 H N -2.045 116.999 119.070 -0.043 0.000 2.839 251 H HA -0.179 4.377 4.556 -0.000 0.000 0.298 251 H C -0.910 174.400 175.328 -0.029 0.000 1.224 251 H CA 0.508 56.676 56.048 0.201 0.000 1.144 251 H CB -2.369 27.453 29.762 0.099 0.000 1.372 251 H HN 0.470 nan 8.280 nan 0.000 0.408 252 H N 0.785 119.953 119.070 0.165 0.000 3.045 252 H HA 0.074 4.630 4.556 -0.000 0.000 0.254 252 H C 1.759 176.736 175.328 -0.585 0.000 1.747 252 H CA 0.091 56.071 56.048 -0.114 0.000 1.444 252 H CB 0.353 30.094 29.762 -0.035 0.000 1.778 252 H HN 0.543 nan 8.280 nan 0.000 0.544 253 R N 0.669 120.716 120.500 -0.755 0.000 2.120 253 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 253 R C 1.603 177.505 176.300 -0.664 0.000 1.123 253 R CA 1.664 56.908 56.100 -1.427 0.000 0.975 253 R CB -0.512 29.295 30.300 -0.822 0.000 0.866 253 R HN 0.448 nan 8.270 nan 0.000 0.446 254 V N -1.441 118.292 119.914 -0.302 0.000 2.913 254 V HA 0.135 4.255 4.120 -0.000 0.000 0.260 254 V C 2.344 178.361 176.094 -0.128 0.000 1.098 254 V CA 1.172 63.381 62.300 -0.153 0.000 1.121 254 V CB -0.497 31.279 31.823 -0.078 0.000 0.714 254 V HN 0.393 nan 8.190 nan 0.000 0.487 255 A N 1.381 124.112 122.820 -0.147 0.000 2.070 255 A HA -0.072 4.248 4.320 -0.000 0.000 0.220 255 A C 2.287 179.854 177.584 -0.029 0.000 1.159 255 A CA 2.097 54.100 52.037 -0.056 0.000 0.656 255 A CB -0.803 18.196 19.000 -0.002 0.000 0.800 255 A HN 1.308 nan 8.150 nan 0.000 0.453 256 V N -2.152 117.730 119.914 -0.053 0.000 3.461 256 V HA 0.029 4.149 4.120 -0.000 0.000 0.267 256 V C 0.822 176.853 176.094 -0.105 0.000 1.186 256 V CA 1.244 63.530 62.300 -0.024 0.000 1.154 256 V CB -1.005 30.867 31.823 0.082 0.000 0.802 256 V HN 0.793 nan 8.190 nan 0.000 0.474 257 Q N 0.084 119.840 119.800 -0.073 0.000 2.409 257 Q HA 0.454 4.794 4.340 -0.000 0.000 0.345 257 Q C -0.907 175.164 176.000 0.117 0.000 0.847 257 Q CA -0.295 55.496 55.803 -0.019 0.000 1.092 257 Q CB 0.511 29.147 28.738 -0.169 0.000 1.377 257 Q HN 0.461 nan 8.270 nan 0.000 0.399 258 D N 1.322 121.789 120.400 0.111 0.000 2.788 258 D HA 0.267 4.906 4.640 -0.000 0.000 0.247 258 D C -1.913 174.369 176.300 -0.030 0.000 1.236 258 D CA -2.130 51.853 54.000 -0.027 0.000 0.898 258 D CB 2.241 43.023 40.800 -0.030 0.000 1.401 258 D HN -0.020 nan 8.370 nan 0.000 0.549 259 P HA -0.086 nan 4.420 nan 0.000 0.223 259 P C 0.380 177.517 177.300 -0.273 0.000 1.151 259 P CA 0.787 63.688 63.100 -0.332 0.000 0.787 259 P CB 0.135 31.375 31.700 -0.767 0.000 0.788 260 Y N -0.180 120.101 120.300 -0.031 0.000 2.524 260 Y HA 0.475 5.025 4.550 -0.000 0.000 0.266 260 Y C 1.432 177.318 175.900 -0.024 0.000 1.180 260 Y CA -1.370 56.711 58.100 -0.031 0.000 1.244 260 Y CB -1.037 37.391 38.460 -0.053 0.000 1.125 260 Y HN -0.103 nan 8.280 nan 0.000 0.524 261 A N 1.131 124.004 122.820 0.089 0.000 2.498 261 A HA 0.554 4.874 4.320 -0.000 0.000 0.239 261 A C 0.588 178.201 177.584 0.049 0.000 1.068 261 A CA 0.048 52.116 52.037 0.052 0.000 0.766 261 A CB -0.063 18.958 19.000 0.035 0.000 1.003 261 A HN 0.378 nan 8.150 nan 0.000 0.497 262 A N 1.690 124.527 122.820 0.028 0.000 2.331 262 A HA 0.447 4.767 4.320 -0.000 0.000 0.283 262 A C 1.001 178.607 177.584 0.036 0.000 1.142 262 A CA -0.525 51.528 52.037 0.025 0.000 0.812 262 A CB 0.341 19.345 19.000 0.007 0.000 1.074 262 A HN 0.855 nan 8.150 nan 0.000 0.497 263 Q N 1.671 121.494 119.800 0.038 0.000 2.234 263 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 263 Q C 2.310 178.346 176.000 0.061 0.000 0.980 263 Q CA 1.799 57.630 55.803 0.047 0.000 0.869 263 Q CB -0.672 28.090 28.738 0.040 0.000 0.912 263 Q HN 0.931 nan 8.270 nan 0.000 0.436 264 A N 1.372 124.224 122.820 0.052 0.000 1.908 264 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 264 A C 1.778 179.418 177.584 0.092 0.000 1.181 264 A CA 1.897 53.972 52.037 0.064 0.000 0.627 264 A CB -0.395 18.629 19.000 0.040 0.000 0.818 264 A HN 0.231 nan 8.150 nan 0.000 0.445 265 D N -0.945 119.505 120.400 0.083 0.000 2.123 265 D HA -0.080 4.560 4.640 -0.000 0.000 0.200 265 D C 2.336 178.736 176.300 0.167 0.000 0.976 265 D CA 1.550 55.627 54.000 0.129 0.000 0.831 265 D CB -0.347 40.480 40.800 0.045 0.000 0.974 265 D HN 0.416 nan 8.370 nan 0.000 0.469 266 S N 0.217 115.990 115.700 0.122 0.000 2.368 266 S HA -0.147 4.323 4.470 -0.000 0.000 0.224 266 S C 1.738 176.444 174.600 0.177 0.000 1.029 266 S CA 1.050 59.335 58.200 0.142 0.000 0.988 266 S CB -0.088 63.165 63.200 0.088 0.000 0.838 266 S HN 0.189 nan 8.310 nan 0.000 0.462 267 E N 1.135 121.419 120.200 0.140 0.000 2.085 267 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 267 E C 2.145 178.863 176.600 0.197 0.000 0.994 267 E CA 1.155 57.640 56.400 0.142 0.000 0.801 267 E CB -0.395 29.379 29.700 0.123 0.000 0.743 267 E HN 0.624 nan 8.360 nan 0.000 0.453 268 N N 0.324 119.148 118.700 0.207 0.000 2.223 268 N HA -0.170 4.570 4.740 -0.000 0.000 0.185 268 N C 1.776 177.413 175.510 0.210 0.000 1.016 268 N CA 0.754 53.924 53.050 0.201 0.000 0.863 268 N CB -0.083 38.495 38.487 0.150 0.000 0.983 268 N HN 0.060 nan 8.380 nan 0.000 0.429 269 F N 1.771 121.765 119.950 0.073 0.000 2.146 269 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 269 F C 2.674 178.523 175.800 0.082 0.000 1.096 269 F CA 1.950 59.964 58.000 0.023 0.000 1.275 269 F CB -0.703 38.276 39.000 -0.034 0.000 1.008 269 F HN 0.099 nan 8.300 nan 0.000 0.480 270 T N -3.334 111.278 114.554 0.096 0.000 3.057 270 T HA 0.071 4.421 4.350 -0.000 0.000 0.254 270 T C 1.658 176.376 174.700 0.030 0.000 1.094 270 T CA 0.603 62.715 62.100 0.020 0.000 1.088 270 T CB -0.082 68.832 68.868 0.076 0.000 0.934 270 T HN 0.232 nan 8.240 nan 0.000 0.497 271 K N 0.724 121.185 120.400 0.101 0.000 2.365 271 K HA 0.325 4.645 4.320 -0.000 0.000 0.195 271 K C 1.378 178.215 176.600 0.394 0.000 1.079 271 K CA 0.017 56.380 56.287 0.127 0.000 0.979 271 K CB 0.292 32.787 32.500 -0.009 0.000 0.929 271 K HN 0.361 nan 8.250 nan 0.000 0.523 272 G N 1.380 110.409 108.800 0.382 0.000 2.414 272 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.236 272 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.236 272 G C -0.880 174.249 174.900 0.381 0.000 1.293 272 G CA -0.314 44.988 45.100 0.336 0.000 0.869 272 G HN 0.073 nan 8.290 nan 0.000 0.556 273 W N 2.297 123.645 121.300 0.079 0.000 2.253 273 W HA 0.344 5.004 4.660 -0.000 0.000 0.322 273 W C 1.046 177.617 176.519 0.086 0.000 1.342 273 W CA -1.116 56.319 57.345 0.150 0.000 1.218 273 W CB 0.133 29.796 29.460 0.339 0.000 1.205 273 W HN 0.553 nan 8.180 nan 0.000 0.551 274 F N 2.472 122.445 119.950 0.038 0.000 2.095 274 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 274 F C 1.008 176.819 175.800 0.018 0.000 1.104 274 F CA 2.324 60.239 58.000 -0.141 0.000 1.232 274 F CB -0.015 38.708 39.000 -0.463 0.000 0.987 274 F HN 0.006 nan 8.300 nan 0.000 0.475 275 V N -3.462 116.574 119.914 0.203 0.000 3.181 275 V HA 0.320 4.440 4.120 -0.000 0.000 0.308 275 V C 0.741 176.883 176.094 0.081 0.000 1.214 275 V CA -0.660 61.704 62.300 0.106 0.000 1.053 275 V CB 1.291 33.130 31.823 0.027 0.000 1.069 275 V HN 0.102 nan 8.190 nan 0.000 0.441 276 E N 1.517 121.446 120.200 -0.452 0.000 2.171 276 E HA -0.128 4.221 4.350 -0.000 0.000 0.197 276 E C 1.733 178.286 176.600 -0.078 0.000 0.997 276 E CA 2.094 57.990 56.400 -0.840 0.000 0.810 276 E CB -0.427 28.555 29.700 -1.196 0.000 0.738 276 E HN 1.090 nan 8.360 nan 0.000 0.467 277 G N -0.284 108.487 108.800 -0.047 0.000 2.848 277 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.208 277 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.208 277 G C 0.537 175.456 174.900 0.032 0.000 1.152 277 G CA -0.146 44.965 45.100 0.018 0.000 0.789 277 G HN 0.123 nan 8.290 nan 0.000 0.531 278 M N 1.114 120.732 119.600 0.030 0.000 2.236 278 M HA 0.256 4.736 4.480 -0.000 0.000 0.228 278 M C -2.792 173.286 176.300 -0.371 0.000 0.906 278 M CA -1.729 53.514 55.300 -0.095 0.000 0.761 278 M CB 2.452 34.930 32.600 -0.203 0.000 1.439 278 M HN -0.233 nan 8.290 nan 0.000 0.394 279 P HA -0.068 nan 4.420 nan 0.000 0.263 279 P C -0.876 175.823 177.300 -1.001 0.000 1.175 279 P CA 0.491 62.640 63.100 -1.585 0.000 0.761 279 P CB 0.417 31.663 31.700 -0.758 0.000 0.794 280 D N 2.523 122.169 120.400 -1.256 0.000 2.249 280 D HA 0.226 4.866 4.640 -0.000 0.000 0.246 280 D C -0.336 175.763 176.300 -0.334 0.000 1.114 280 D CA -0.333 53.359 54.000 -0.512 0.000 0.854 280 D CB 0.307 40.937 40.800 -0.282 0.000 1.132 280 D HN 0.189 nan 8.370 nan 0.000 0.461 281 L N 3.742 124.794 121.223 -0.285 0.000 2.410 281 L HA 0.153 4.493 4.340 -0.000 0.000 0.273 281 L C 0.585 177.218 176.870 -0.395 0.000 1.144 281 L CA -0.391 54.227 54.840 -0.369 0.000 0.863 281 L CB 0.363 42.194 42.059 -0.379 0.000 1.140 281 L HN 0.458 nan 8.230 nan 0.000 0.463 282 N N 3.135 121.566 118.700 -0.447 0.000 2.605 282 N HA 0.024 4.764 4.740 -0.000 0.000 0.258 282 N C 0.564 175.787 175.510 -0.479 0.000 1.156 282 N CA 0.157 52.971 53.050 -0.394 0.000 1.008 282 N CB 0.618 38.907 38.487 -0.331 0.000 1.354 282 N HN 0.514 nan 8.380 nan 0.000 0.509 283 Q N 0.300 119.822 119.800 -0.462 0.000 2.482 283 Q HA -0.039 4.301 4.340 -0.000 0.000 0.209 283 Q C 1.374 177.200 176.000 -0.290 0.000 0.961 283 Q CA 0.978 56.447 55.803 -0.557 0.000 0.945 283 Q CB 0.231 28.448 28.738 -0.869 0.000 1.012 283 Q HN 0.722 nan 8.270 nan 0.000 0.515 284 T N -2.369 112.055 114.554 -0.216 0.000 3.088 284 T HA -0.030 4.320 4.350 -0.000 0.000 0.259 284 T C 0.832 175.443 174.700 -0.147 0.000 1.122 284 T CA -0.095 61.931 62.100 -0.122 0.000 1.095 284 T CB 0.009 68.821 68.868 -0.094 0.000 0.930 284 T HN 0.002 nan 8.240 nan 0.000 0.508 285 N N 3.046 121.604 118.700 -0.238 0.000 2.411 285 N HA 0.173 4.913 4.740 -0.000 0.000 0.259 285 N C -1.631 173.738 175.510 -0.236 0.000 1.103 285 N CA -2.216 50.685 53.050 -0.248 0.000 0.954 285 N CB 1.782 40.062 38.487 -0.345 0.000 1.085 285 N HN 0.072 nan 8.380 nan 0.000 0.485 286 P HA -0.142 nan 4.420 nan 0.000 0.219 286 P C 1.465 178.702 177.300 -0.104 0.000 1.146 286 P CA 1.048 64.096 63.100 -0.087 0.000 0.808 286 P CB 0.417 32.085 31.700 -0.052 0.000 0.779 287 L N -1.152 119.959 121.223 -0.188 0.000 2.056 287 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 287 L C 2.682 179.459 176.870 -0.155 0.000 1.078 287 L CA 1.123 55.877 54.840 -0.143 0.000 0.749 287 L CB -1.221 40.656 42.059 -0.303 0.000 0.901 287 L HN -0.159 nan 8.230 nan 0.000 0.433 288 V N 0.316 119.870 119.914 -0.600 0.000 2.295 288 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 288 V C 2.842 178.743 176.094 -0.321 0.000 1.049 288 V CA 1.807 63.612 62.300 -0.826 0.000 1.024 288 V CB -0.932 30.197 31.823 -1.156 0.000 0.648 288 V HN 0.464 nan 8.190 nan 0.000 0.447 289 A N 0.737 123.419 122.820 -0.230 0.000 1.873 289 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 289 A C 2.068 179.792 177.584 0.234 0.000 1.193 289 A CA 2.360 54.441 52.037 0.072 0.000 0.629 289 A CB -0.837 18.290 19.000 0.210 0.000 0.826 289 A HN 0.605 nan 8.150 nan 0.000 0.447 290 N N -1.546 117.244 118.700 0.149 0.000 2.149 290 N HA -0.189 4.551 4.740 -0.000 0.000 0.188 290 N C 1.589 177.240 175.510 0.235 0.000 1.019 290 N CA 1.758 54.909 53.050 0.168 0.000 0.857 290 N CB -0.672 37.899 38.487 0.141 0.000 0.997 290 N HN 0.699 nan 8.380 nan 0.000 0.426 291 Y N 1.590 121.989 120.300 0.166 0.000 2.145 291 Y HA -0.102 4.448 4.550 -0.000 0.000 0.286 291 Y C 2.201 178.253 175.900 0.254 0.000 1.145 291 Y CA 1.407 59.666 58.100 0.265 0.000 1.148 291 Y CB -0.346 38.326 38.460 0.354 0.000 0.981 291 Y HN -0.037 nan 8.280 nan 0.000 0.507 292 L N -0.617 120.823 121.223 0.361 0.000 2.072 292 L HA -0.192 4.148 4.340 -0.000 0.000 0.205 292 L C 2.412 179.497 176.870 0.358 0.000 1.079 292 L CA 1.228 56.248 54.840 0.301 0.000 0.752 292 L CB -0.541 41.686 42.059 0.280 0.000 0.906 292 L HN 0.245 nan 8.230 nan 0.000 0.436 293 I N -0.384 120.434 120.570 0.413 0.000 2.127 293 I HA -0.343 3.827 4.170 -0.000 0.000 0.241 293 I C 2.673 178.941 176.117 0.251 0.000 1.075 293 I CA 1.533 63.016 61.300 0.305 0.000 1.334 293 I CB -0.358 37.753 38.000 0.186 0.000 1.040 293 I HN 0.350 nan 8.210 nan 0.000 0.405 294 Q N 0.260 120.198 119.800 0.230 0.000 2.084 294 Q HA -0.223 4.116 4.340 -0.000 0.000 0.202 294 Q C 2.107 178.358 176.000 0.419 0.000 0.978 294 Q CA 1.584 57.588 55.803 0.335 0.000 0.844 294 Q CB -0.423 28.369 28.738 0.091 0.000 0.898 294 Q HN 0.539 nan 8.270 nan 0.000 0.426 295 N N 0.873 119.664 118.700 0.153 0.000 2.084 295 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 295 N C 1.254 176.935 175.510 0.284 0.000 1.030 295 N CA 1.392 54.435 53.050 -0.012 0.000 0.849 295 N CB 0.038 38.288 38.487 -0.396 0.000 1.012 295 N HN 0.186 nan 8.380 nan 0.000 0.423 296 N N 0.969 119.872 118.700 0.338 0.000 2.188 296 N HA -0.004 4.736 4.740 -0.000 0.000 0.184 296 N C 1.909 177.651 175.510 0.387 0.000 1.018 296 N CA 0.612 53.911 53.050 0.416 0.000 0.858 296 N CB -0.297 38.435 38.487 0.410 0.000 0.989 296 N HN 0.352 nan 8.380 nan 0.000 0.426 297 I N -0.722 120.065 120.570 0.361 0.000 2.226 297 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 297 I C 2.143 178.422 176.117 0.269 0.000 1.100 297 I CA 0.926 62.425 61.300 0.333 0.000 1.374 297 I CB -0.199 38.014 38.000 0.356 0.000 1.057 297 I HN 0.235 nan 8.210 nan 0.000 0.413 298 W N 1.016 122.461 121.300 0.242 0.000 2.318 298 W HA -0.264 4.396 4.660 -0.000 0.000 0.313 298 W C 2.193 178.822 176.519 0.183 0.000 1.221 298 W CA 1.617 59.100 57.345 0.230 0.000 1.266 298 W CB -0.585 29.069 29.460 0.322 0.000 1.150 298 W HN 0.100 nan 8.180 nan 0.000 0.496 299 W N 0.039 121.610 121.300 0.452 0.000 2.358 299 W HA -0.167 4.493 4.660 -0.000 0.000 0.303 299 W C 2.352 178.927 176.519 0.093 0.000 1.208 299 W CA 1.337 58.862 57.345 0.299 0.000 1.274 299 W CB -0.785 28.872 29.460 0.329 0.000 1.138 299 W HN -0.189 nan 8.180 nan 0.000 0.515 300 I N -0.112 120.593 120.570 0.225 0.000 2.179 300 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 300 I C 2.362 178.355 176.117 -0.207 0.000 1.088 300 I CA 1.660 62.918 61.300 -0.070 0.000 1.357 300 I CB -0.521 37.283 38.000 -0.327 0.000 1.051 300 I HN -0.082 nan 8.210 nan 0.000 0.409 301 E N 0.207 120.224 120.200 -0.304 0.000 2.072 301 E HA -0.254 4.096 4.350 -0.000 0.000 0.190 301 E C 2.076 178.467 176.600 -0.348 0.000 0.982 301 E CA 1.305 57.353 56.400 -0.586 0.000 0.803 301 E CB -0.302 28.538 29.700 -1.433 0.000 0.755 301 E HN 0.476 nan 8.360 nan 0.000 0.453 302 Y N -0.048 120.055 120.300 -0.328 0.000 2.220 302 Y HA 0.057 4.607 4.550 -0.000 0.000 0.291 302 Y C 1.790 177.684 175.900 -0.010 0.000 1.129 302 Y CA 1.712 59.756 58.100 -0.094 0.000 1.161 302 Y CB -0.427 37.697 38.460 -0.559 0.000 0.997 302 Y HN 0.077 nan 8.280 nan 0.000 0.522 303 A N -0.801 121.986 122.820 -0.055 0.000 2.308 303 A HA 0.413 4.733 4.320 -0.000 0.000 0.217 303 A C 1.585 179.081 177.584 -0.148 0.000 1.216 303 A CA 0.486 52.455 52.037 -0.114 0.000 0.864 303 A CB -1.010 18.136 19.000 0.242 0.000 0.902 303 A HN 0.884 nan 8.150 nan 0.000 0.499 304 G N 0.082 108.804 108.800 -0.130 0.000 2.272 304 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.280 304 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.280 304 G C -0.007 174.811 174.900 -0.138 0.000 1.067 304 G CA 0.316 45.329 45.100 -0.145 0.000 0.902 304 G HN 0.463 nan 8.290 nan 0.000 0.500 305 L N -0.294 120.855 121.223 -0.123 0.000 2.452 305 L HA 0.344 4.684 4.340 -0.000 0.000 0.267 305 L C 1.643 178.452 176.870 -0.103 0.000 1.188 305 L CA -0.030 54.759 54.840 -0.085 0.000 0.821 305 L CB 1.193 43.242 42.059 -0.016 0.000 1.102 305 L HN 0.154 nan 8.230 nan 0.000 0.470 306 S N 0.282 115.966 115.700 -0.027 0.000 2.548 306 S HA 0.328 4.798 4.470 -0.000 0.000 0.215 306 S C 0.418 175.083 174.600 0.108 0.000 0.976 306 S CA 0.422 58.636 58.200 0.023 0.000 0.908 306 S CB 0.358 63.602 63.200 0.074 0.000 0.781 306 S HN 0.945 nan 8.310 nan 0.000 0.519 307 G N 0.338 109.209 108.800 0.118 0.000 2.324 307 G HA2 0.385 4.345 3.960 -0.000 0.000 0.293 307 G HA3 0.385 4.345 3.960 -0.000 0.000 0.293 307 G C -2.271 172.743 174.900 0.191 0.000 1.297 307 G CA -1.003 44.217 45.100 0.200 0.000 0.853 307 G HN 0.151 nan 8.290 nan 0.000 0.535 308 L N -0.123 121.227 121.223 0.212 0.000 2.371 308 L HA 0.754 5.094 4.340 -0.000 0.000 0.262 308 L C -0.016 176.867 176.870 0.021 0.000 1.006 308 L CA -1.145 53.754 54.840 0.100 0.000 0.818 308 L CB 2.348 44.486 42.059 0.132 0.000 1.354 308 L HN 0.552 nan 8.230 nan 0.000 0.415 309 R N 2.605 122.998 120.500 -0.177 0.000 2.343 309 R HA 0.586 4.926 4.340 -0.000 0.000 0.320 309 R C -1.415 174.809 176.300 -0.126 0.000 0.956 309 R CA -0.477 55.417 56.100 -0.343 0.000 0.836 309 R CB 1.076 30.776 30.300 -1.000 0.000 1.151 309 R HN 0.622 nan 8.270 nan 0.000 0.450 310 I N 3.573 124.126 120.570 -0.029 0.000 2.330 310 I HA 0.144 4.314 4.170 -0.000 0.000 0.289 310 I C 0.243 176.429 176.117 0.115 0.000 1.001 310 I CA -0.813 60.540 61.300 0.088 0.000 1.193 310 I CB 1.559 39.691 38.000 0.219 0.000 1.345 310 I HN 0.499 nan 8.210 nan 0.000 0.461 311 D N 4.329 124.792 120.400 0.105 0.000 2.368 311 D HA 0.084 4.724 4.640 -0.000 0.000 0.240 311 D C 0.489 176.841 176.300 0.086 0.000 1.169 311 D CA 0.577 54.644 54.000 0.111 0.000 0.906 311 D CB 0.738 41.623 40.800 0.142 0.000 1.187 311 D HN 0.775 nan 8.370 nan 0.000 0.435 312 T N 0.524 115.137 114.554 0.098 0.000 3.639 312 T HA -0.335 4.015 4.350 -0.000 0.000 0.386 312 T C 0.844 175.691 174.700 0.244 0.000 0.764 312 T CA 1.142 63.344 62.100 0.170 0.000 1.954 312 T CB -2.277 66.523 68.868 -0.113 0.000 1.755 312 T HN 0.522 nan 8.240 nan 0.000 0.715 313 Y N 1.867 122.204 120.300 0.062 0.000 2.053 313 Y HA 0.043 4.593 4.550 -0.000 0.000 0.277 313 Y C 2.425 178.170 175.900 -0.258 0.000 1.159 313 Y CA 2.366 60.375 58.100 -0.152 0.000 1.125 313 Y CB -0.857 37.423 38.460 -0.300 0.000 0.969 313 Y HN 0.542 nan 8.280 nan 0.000 0.492 314 G N -2.454 106.200 108.800 -0.244 0.000 2.848 314 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.208 314 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.208 314 G C 0.941 175.819 174.900 -0.038 0.000 1.152 314 G CA 0.195 45.170 45.100 -0.207 0.000 0.789 314 G HN 0.520 nan 8.290 nan 0.000 0.531 315 Y N 1.195 121.364 120.300 -0.218 0.000 2.571 315 Y HA 0.138 4.688 4.550 -0.000 0.000 0.294 315 Y C 1.736 177.490 175.900 -0.244 0.000 1.141 315 Y CA 0.048 57.881 58.100 -0.444 0.000 1.308 315 Y CB 0.198 38.456 38.460 -0.337 0.000 1.002 315 Y HN 0.032 nan 8.280 nan 0.000 0.551 316 S N -0.036 115.609 115.700 -0.093 0.000 2.610 316 S HA 0.050 4.520 4.470 -0.000 0.000 0.273 316 S C -0.478 174.134 174.600 0.021 0.000 1.274 316 S CA -0.964 57.194 58.200 -0.070 0.000 1.023 316 S CB 0.660 63.821 63.200 -0.066 0.000 0.962 316 S HN 0.246 nan 8.310 nan 0.000 0.523 317 D N 0.854 121.295 120.400 0.068 0.000 2.493 317 D HA 0.211 4.851 4.640 -0.000 0.000 0.240 317 D C 1.386 177.827 176.300 0.235 0.000 1.142 317 D CA 0.473 54.552 54.000 0.131 0.000 0.872 317 D CB 0.467 41.321 40.800 0.090 0.000 1.173 317 D HN 0.500 nan 8.370 nan 0.000 0.467 318 G N 3.149 112.084 108.800 0.224 0.000 2.421 318 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 318 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 318 G C 1.454 176.623 174.900 0.448 0.000 1.171 318 G CA 0.796 46.086 45.100 0.316 0.000 0.775 318 G HN 0.643 nan 8.290 nan 0.000 0.543 319 A N 0.497 123.509 122.820 0.320 0.000 1.902 319 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 319 A C 2.168 179.887 177.584 0.226 0.000 1.181 319 A CA 1.643 53.836 52.037 0.260 0.000 0.623 319 A CB -0.589 18.515 19.000 0.175 0.000 0.818 319 A HN 0.488 nan 8.150 nan 0.000 0.443 320 F N 0.837 120.849 119.950 0.104 0.000 2.091 320 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 320 F C 1.816 177.699 175.800 0.139 0.000 1.103 320 F CA 1.901 59.948 58.000 0.077 0.000 1.228 320 F CB -0.445 38.555 39.000 -0.000 0.000 0.984 320 F HN 0.147 nan 8.300 nan 0.000 0.477 321 L N -0.228 120.940 121.223 -0.092 0.000 2.079 321 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 321 L C 2.401 179.314 176.870 0.072 0.000 1.081 321 L CA 1.861 56.620 54.840 -0.135 0.000 0.752 321 L CB -1.228 40.873 42.059 0.071 0.000 0.896 321 L HN 0.207 nan 8.230 nan 0.000 0.433 322 T N -1.047 113.603 114.554 0.159 0.000 2.684 322 T HA -0.246 4.104 4.350 -0.000 0.000 0.267 322 T C 1.790 176.540 174.700 0.083 0.000 1.036 322 T CA 1.765 63.937 62.100 0.120 0.000 1.148 322 T CB -0.130 68.750 68.868 0.019 0.000 0.863 322 T HN 0.263 nan 8.240 nan 0.000 0.436 323 E N 0.242 120.440 120.200 -0.004 0.000 2.072 323 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 323 E C 1.861 178.391 176.600 -0.117 0.000 0.985 323 E CA 1.005 57.374 56.400 -0.052 0.000 0.801 323 E CB -0.502 29.190 29.700 -0.014 0.000 0.750 323 E HN 0.648 nan 8.360 nan 0.000 0.452 324 Y N 1.022 121.086 120.300 -0.393 0.000 2.097 324 Y HA -0.262 4.288 4.550 -0.000 0.000 0.282 324 Y C 2.425 178.234 175.900 -0.152 0.000 1.152 324 Y CA 2.969 60.839 58.100 -0.383 0.000 1.136 324 Y CB -0.864 37.102 38.460 -0.823 0.000 0.975 324 Y HN 0.244 nan 8.280 nan 0.000 0.498 325 T N -1.185 113.417 114.554 0.080 0.000 2.821 325 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 325 T C 2.076 176.731 174.700 -0.075 0.000 1.046 325 T CA 1.342 63.498 62.100 0.093 0.000 1.139 325 T CB -0.575 68.479 68.868 0.309 0.000 0.871 325 T HN 0.405 nan 8.240 nan 0.000 0.454 326 R N 0.843 121.232 120.500 -0.184 0.000 2.080 326 R HA -0.102 4.238 4.340 -0.000 0.000 0.236 326 R C 2.817 178.933 176.300 -0.306 0.000 1.137 326 R CA 1.224 57.018 56.100 -0.510 0.000 0.943 326 R CB -0.165 29.850 30.300 -0.475 0.000 0.846 326 R HN 0.237 nan 8.270 nan 0.000 0.431 327 R N 0.416 120.772 120.500 -0.240 0.000 2.083 327 R HA -0.151 4.189 4.340 -0.000 0.000 0.237 327 R C 2.361 178.543 176.300 -0.198 0.000 1.137 327 R CA 1.243 57.218 56.100 -0.208 0.000 0.951 327 R CB -0.896 29.275 30.300 -0.215 0.000 0.851 327 R HN 0.234 nan 8.270 nan 0.000 0.434 328 L N 0.245 121.317 121.223 -0.252 0.000 2.017 328 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 328 L C 2.444 179.285 176.870 -0.048 0.000 1.073 328 L CA 1.463 56.213 54.840 -0.150 0.000 0.745 328 L CB -0.430 41.468 42.059 -0.268 0.000 0.894 328 L HN 0.092 nan 8.230 nan 0.000 0.432 329 M N -1.321 118.230 119.600 -0.082 0.000 2.319 329 M HA -0.041 4.439 4.480 -0.000 0.000 0.265 329 M C 2.404 178.654 176.300 -0.084 0.000 1.068 329 M CA 1.418 56.691 55.300 -0.045 0.000 1.118 329 M CB -1.532 31.053 32.600 -0.025 0.000 1.395 329 M HN 0.293 nan 8.290 nan 0.000 0.435 330 A N 0.218 122.956 122.820 -0.135 0.000 1.898 330 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 330 A C 2.130 179.607 177.584 -0.179 0.000 1.181 330 A CA 1.331 53.289 52.037 -0.131 0.000 0.620 330 A CB -0.378 18.552 19.000 -0.117 0.000 0.819 330 A HN 0.372 nan 8.150 nan 0.000 0.442 331 E N -0.957 119.072 120.200 -0.285 0.000 2.072 331 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 331 E C -0.359 175.781 176.600 -0.768 0.000 0.985 331 E CA 0.994 57.028 56.400 -0.610 0.000 0.801 331 E CB -0.218 28.941 29.700 -0.903 0.000 0.750 331 E HN 0.744 nan 8.360 nan 0.000 0.452 332 Y N -0.657 119.599 120.300 -0.074 0.000 2.705 332 Y HA 0.281 4.831 4.550 -0.000 0.000 0.355 332 Y C -1.883 173.975 175.900 -0.070 0.000 1.039 332 Y CA -2.449 55.605 58.100 -0.075 0.000 1.233 332 Y CB 1.428 39.839 38.460 -0.083 0.000 1.103 332 Y HN -0.038 nan 8.280 nan 0.000 0.624 333 P HA -0.086 nan 4.420 nan 0.000 0.222 333 P C 0.890 178.190 177.300 -0.000 0.000 1.147 333 P CA 1.426 64.527 63.100 0.000 0.000 0.790 333 P CB 0.334 32.025 31.700 -0.016 0.000 0.780 334 R N -1.752 118.752 120.500 0.006 0.000 2.393 334 R HA 0.206 4.546 4.340 -0.000 0.000 0.244 334 R C 0.404 176.666 176.300 -0.064 0.000 0.920 334 R CA -0.586 55.496 56.100 -0.030 0.000 1.076 334 R CB -0.227 30.057 30.300 -0.027 0.000 1.119 334 R HN 0.182 nan 8.270 nan 0.000 0.524 335 L N 1.427 122.627 121.223 -0.037 0.000 2.482 335 L HA 0.074 4.414 4.340 -0.000 0.000 0.273 335 L C 0.021 176.766 176.870 -0.208 0.000 1.228 335 L CA 0.520 55.302 54.840 -0.096 0.000 0.827 335 L CB 0.403 42.449 42.059 -0.022 0.000 1.099 335 L HN -0.050 nan 8.230 nan 0.000 0.494 336 N N 3.175 121.642 118.700 -0.387 0.000 2.314 336 N HA 0.582 5.322 4.740 -0.000 0.000 0.304 336 N C -1.564 173.712 175.510 -0.390 0.000 1.073 336 N CA -0.427 52.250 53.050 -0.621 0.000 0.822 336 N CB 1.402 39.043 38.487 -1.411 0.000 1.280 336 N HN 0.536 nan 8.380 nan 0.000 0.489 337 M N 1.818 121.309 119.600 -0.183 0.000 2.326 337 M HA 0.313 4.793 4.480 -0.000 0.000 0.292 337 M C -1.045 175.280 176.300 0.042 0.000 1.081 337 M CA -1.068 54.253 55.300 0.035 0.000 0.919 337 M CB 2.562 35.213 32.600 0.086 0.000 1.634 337 M HN 0.153 nan 8.290 nan 0.000 0.451 338 V N 2.826 122.801 119.914 0.101 0.000 2.357 338 V HA 0.779 4.899 4.120 -0.000 0.000 0.284 338 V C 0.019 176.048 176.094 -0.108 0.000 1.018 338 V CA -0.115 62.185 62.300 -0.000 0.000 0.841 338 V CB 1.368 33.212 31.823 0.035 0.000 0.991 338 V HN 0.946 nan 8.190 nan 0.000 0.437 339 G N 4.692 113.368 108.800 -0.207 0.000 2.415 339 G HA2 0.310 4.270 3.960 -0.000 0.000 0.269 339 G HA3 0.310 4.270 3.960 -0.000 0.000 0.269 339 G C -0.334 174.512 174.900 -0.090 0.000 1.209 339 G CA -0.305 44.614 45.100 -0.302 0.000 0.835 339 G HN 0.769 nan 8.290 nan 0.000 0.534 340 Q N 1.251 121.088 119.800 0.062 0.000 2.490 340 Q HA 0.158 4.498 4.340 -0.000 0.000 0.226 340 Q C -0.802 175.361 176.000 0.273 0.000 1.132 340 Q CA -0.357 55.571 55.803 0.208 0.000 0.928 340 Q CB 0.652 29.508 28.738 0.196 0.000 1.299 340 Q HN 0.520 nan 8.270 nan 0.000 0.528 341 E N 4.681 125.054 120.200 0.288 0.000 2.070 341 E HA 0.067 4.417 4.350 -0.000 0.000 0.261 341 E C -1.469 175.293 176.600 0.271 0.000 0.926 341 E CA -0.407 56.162 56.400 0.281 0.000 0.760 341 E CB 0.274 30.122 29.700 0.248 0.000 1.133 341 E HN 0.455 nan 8.360 nan 0.000 0.420 342 W N 5.228 126.449 121.300 -0.132 0.000 2.290 342 W HA 0.398 5.058 4.660 -0.000 0.000 0.408 342 W C -0.827 175.517 176.519 -0.291 0.000 0.966 342 W CA -0.521 56.405 57.345 -0.697 0.000 1.579 342 W CB -0.079 28.922 29.460 -0.765 0.000 1.662 342 W HN 0.401 nan 8.180 nan 0.000 0.341 343 S N 2.749 118.598 115.700 0.247 0.000 2.540 343 S HA 0.324 4.794 4.470 -0.000 0.000 0.275 343 S C 0.759 175.555 174.600 0.326 0.000 1.123 343 S CA -0.132 58.227 58.200 0.264 0.000 0.907 343 S CB 1.307 64.632 63.200 0.208 0.000 1.081 343 S HN 0.320 nan 8.310 nan 0.000 0.476 344 T N 1.146 115.867 114.554 0.278 0.000 3.169 344 T HA 0.292 4.642 4.350 -0.000 0.000 0.250 344 T C 0.422 175.228 174.700 0.176 0.000 1.111 344 T CA -0.030 62.224 62.100 0.257 0.000 1.010 344 T CB -0.312 68.688 68.868 0.219 0.000 0.984 344 T HN 0.511 nan 8.240 nan 0.000 0.537 345 R N 0.958 121.549 120.500 0.152 0.000 2.198 345 R HA 0.446 4.786 4.340 -0.000 0.000 0.339 345 R C 0.998 177.352 176.300 0.090 0.000 1.020 345 R CA -0.433 55.723 56.100 0.093 0.000 0.864 345 R CB 1.338 31.674 30.300 0.060 0.000 1.105 345 R HN -0.003 nan 8.270 nan 0.000 0.463 346 V N 5.479 125.423 119.914 0.050 0.000 2.278 346 V HA -0.233 3.886 4.120 -0.000 0.000 0.251 346 V C -0.918 175.100 176.094 -0.127 0.000 1.062 346 V CA 1.916 64.205 62.300 -0.019 0.000 1.038 346 V CB -0.960 30.801 31.823 -0.103 0.000 0.646 346 V HN 0.673 nan 8.190 nan 0.000 0.447 347 P HA -0.100 nan 4.420 nan 0.000 0.218 347 P C 1.840 179.099 177.300 -0.068 0.000 1.148 347 P CA 1.186 64.207 63.100 -0.132 0.000 0.822 347 P CB -0.075 31.566 31.700 -0.098 0.000 0.784 348 V N -0.821 119.100 119.914 0.010 0.000 2.453 348 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 348 V C 2.399 178.618 176.094 0.208 0.000 1.048 348 V CA 1.573 63.919 62.300 0.077 0.000 1.049 348 V CB -1.025 30.865 31.823 0.111 0.000 0.672 348 V HN -0.024 nan 8.190 nan 0.000 0.457 349 V N 0.425 120.492 119.914 0.256 0.000 2.323 349 V HA -0.165 3.955 4.120 -0.000 0.000 0.244 349 V C 2.716 179.039 176.094 0.382 0.000 1.041 349 V CA 1.826 64.376 62.300 0.417 0.000 1.025 349 V CB -1.129 30.959 31.823 0.443 0.000 0.656 349 V HN 0.528 nan 8.190 nan 0.000 0.451 350 A N 0.059 122.946 122.820 0.112 0.000 2.019 350 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 350 A C 2.371 179.968 177.584 0.021 0.000 1.164 350 A CA 1.624 53.633 52.037 -0.048 0.000 0.644 350 A CB -0.642 18.012 19.000 -0.576 0.000 0.805 350 A HN 0.376 nan 8.150 nan 0.000 0.449 351 R N -0.877 119.582 120.500 -0.069 0.000 2.133 351 R HA -0.220 4.120 4.340 -0.000 0.000 0.247 351 R C 1.461 177.672 176.300 -0.149 0.000 1.151 351 R CA 2.049 58.017 56.100 -0.219 0.000 0.971 351 R CB -0.433 29.561 30.300 -0.511 0.000 0.866 351 R HN 0.775 nan 8.270 nan 0.000 0.447 352 W N 0.559 121.961 121.300 0.171 0.000 3.077 352 W HA 0.171 4.831 4.660 -0.000 0.000 0.266 352 W C 0.957 177.556 176.519 0.134 0.000 1.300 352 W CA -0.521 56.952 57.345 0.214 0.000 1.586 352 W CB 0.223 29.785 29.460 0.169 0.000 1.103 352 W HN 0.094 nan 8.180 nan 0.000 0.652 353 Q N 2.062 122.035 119.800 0.288 0.000 2.288 353 Q HA 0.113 4.453 4.340 -0.000 0.000 0.254 353 Q C 0.693 176.759 176.000 0.110 0.000 0.932 353 Q CA -0.650 55.265 55.803 0.187 0.000 0.902 353 Q CB 0.725 29.584 28.738 0.202 0.000 1.203 353 Q HN -0.048 nan 8.270 nan 0.000 0.415 354 R N 2.334 122.873 120.500 0.065 0.000 2.500 354 R HA -0.083 4.257 4.340 -0.000 0.000 0.281 354 R C 0.556 176.850 176.300 -0.009 0.000 0.953 354 R CA 1.600 57.695 56.100 -0.008 0.000 1.108 354 R CB -0.299 30.003 30.300 0.004 0.000 0.901 354 R HN 0.986 nan 8.270 nan 0.000 0.410 355 G N 2.890 111.660 108.800 -0.050 0.000 2.194 355 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.236 355 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.236 355 G C -0.114 174.776 174.900 -0.017 0.000 0.987 355 G CA 0.279 45.361 45.100 -0.031 0.000 0.635 355 G HN 0.633 nan 8.290 nan 0.000 0.520 356 K N 1.603 121.997 120.400 -0.010 0.000 2.368 356 K HA 0.658 4.978 4.320 -0.000 0.000 0.282 356 K C 0.514 177.100 176.600 -0.023 0.000 1.035 356 K CA 0.573 56.859 56.287 -0.002 0.000 0.973 356 K CB 0.759 33.267 32.500 0.014 0.000 0.957 356 K HN 0.839 nan 8.250 nan 0.000 0.474 357 A N 5.123 127.936 122.820 -0.012 0.000 2.316 357 A HA 0.290 4.610 4.320 -0.000 0.000 0.311 357 A C -0.704 176.877 177.584 -0.005 0.000 1.339 357 A CA -0.592 51.435 52.037 -0.016 0.000 0.960 357 A CB -0.455 18.544 19.000 -0.003 0.000 1.152 357 A HN 0.938 nan 8.150 nan 0.000 0.547 358 N N 0.899 119.582 118.700 -0.029 0.000 2.509 358 N HA 0.420 5.160 4.740 -0.000 0.000 0.287 358 N C 0.795 176.268 175.510 -0.061 0.000 1.121 358 N CA -0.525 52.505 53.050 -0.033 0.000 0.977 358 N CB 0.771 39.205 38.487 -0.087 0.000 1.167 358 N HN 0.678 nan 8.380 nan 0.000 0.476 359 F N 0.743 120.658 119.950 -0.057 0.000 2.216 359 F HA -0.073 4.454 4.527 -0.000 0.000 0.300 359 F C 1.343 177.113 175.800 -0.049 0.000 1.085 359 F CA 0.792 58.757 58.000 -0.058 0.000 1.326 359 F CB -0.223 38.729 39.000 -0.081 0.000 1.027 359 F HN 0.417 nan 8.300 nan 0.000 0.497 360 D N -0.826 118.917 120.400 -1.095 0.000 2.340 360 D HA 0.190 4.830 4.640 -0.000 0.000 0.217 360 D C 1.824 177.922 176.300 -0.337 0.000 1.081 360 D CA 0.380 53.912 54.000 -0.780 0.000 0.842 360 D CB -0.226 39.946 40.800 -1.047 0.000 0.934 360 D HN 0.502 nan 8.370 nan 0.000 0.511 361 G N 0.259 108.917 108.800 -0.236 0.000 2.148 361 G HA2 -0.356 3.603 3.960 -0.000 0.000 0.254 361 G HA3 -0.356 3.603 3.960 -0.000 0.000 0.254 361 G C -0.088 174.750 174.900 -0.102 0.000 0.981 361 G CA 0.179 45.202 45.100 -0.130 0.000 0.670 361 G HN 0.509 nan 8.290 nan 0.000 0.528 362 Y N 2.428 122.592 120.300 -0.225 0.000 2.632 362 Y HA 0.446 4.996 4.550 -0.000 0.000 0.329 362 Y C 0.664 176.491 175.900 -0.121 0.000 1.174 362 Y CA 1.044 59.041 58.100 -0.171 0.000 1.469 362 Y CB 0.639 38.960 38.460 -0.231 0.000 1.242 362 Y HN 0.134 nan 8.280 nan 0.000 0.540 363 T N 5.360 119.426 114.554 -0.814 0.000 2.829 363 T HA 0.484 4.834 4.350 -0.000 0.000 0.280 363 T C -0.928 173.323 174.700 -0.748 0.000 0.999 363 T CA -0.831 60.910 62.100 -0.599 0.000 0.983 363 T CB 1.400 70.049 68.868 -0.365 0.000 0.968 363 T HN 0.563 nan 8.240 nan 0.000 0.446 364 S N 0.400 115.840 115.700 -0.435 0.000 2.570 364 S HA 0.477 4.947 4.470 -0.000 0.000 0.286 364 S C -0.737 173.690 174.600 -0.288 0.000 1.099 364 S CA -0.639 57.468 58.200 -0.154 0.000 0.913 364 S CB 0.928 64.258 63.200 0.216 0.000 1.085 364 S HN 0.822 nan 8.310 nan 0.000 0.480 365 H N 1.643 120.756 119.070 0.071 0.000 2.592 365 H HA 0.377 4.933 4.556 -0.000 0.000 0.279 365 H C -0.250 175.119 175.328 0.068 0.000 1.089 365 H CA -0.326 55.749 56.048 0.045 0.000 1.150 365 H CB 0.406 30.176 29.762 0.014 0.000 1.575 365 H HN 0.295 nan 8.280 nan 0.000 0.547 366 L N 2.933 124.268 121.223 0.186 0.000 2.530 366 L HA 0.160 4.500 4.340 -0.000 0.000 0.273 366 L C -1.782 175.117 176.870 0.048 0.000 1.141 366 L CA -1.489 53.423 54.840 0.120 0.000 0.905 366 L CB 0.994 43.104 42.059 0.084 0.000 1.202 366 L HN -0.033 nan 8.230 nan 0.000 0.473 367 P HA -0.032 nan 4.420 nan 0.000 0.219 367 P C -0.289 176.983 177.300 -0.046 0.000 1.150 367 P CA 0.666 63.745 63.100 -0.035 0.000 0.814 367 P CB 0.343 31.985 31.700 -0.096 0.000 0.787 368 S N -1.783 113.886 115.700 -0.052 0.000 2.588 368 S HA 0.686 5.156 4.470 -0.000 0.000 0.275 368 S C -1.692 172.877 174.600 -0.053 0.000 1.130 368 S CA -0.644 57.528 58.200 -0.047 0.000 0.855 368 S CB 0.378 63.561 63.200 -0.029 0.000 1.116 368 S HN -0.209 nan 8.310 nan 0.000 0.472 369 L N 2.437 123.640 121.223 -0.034 0.000 2.376 369 L HA 0.630 4.970 4.340 -0.000 0.000 0.258 369 L C -0.533 176.336 176.870 -0.002 0.000 1.013 369 L CA -0.779 54.053 54.840 -0.012 0.000 0.822 369 L CB 1.787 43.900 42.059 0.090 0.000 1.388 369 L HN 0.551 nan 8.230 nan 0.000 0.413 370 M N 1.333 120.945 119.600 0.021 0.000 2.219 370 M HA 0.075 4.555 4.480 -0.000 0.000 0.353 370 M C -0.137 176.193 176.300 0.049 0.000 1.304 370 M CA -0.030 55.246 55.300 -0.040 0.000 1.115 370 M CB 0.195 32.627 32.600 -0.279 0.000 1.664 370 M HN 0.412 nan 8.290 nan 0.000 0.459 371 D N 3.262 123.680 120.400 0.029 0.000 2.713 371 D HA 0.100 4.740 4.640 -0.000 0.000 0.229 371 D C 0.809 177.059 176.300 -0.083 0.000 1.136 371 D CA -0.072 53.917 54.000 -0.017 0.000 1.010 371 D CB -0.316 40.415 40.800 -0.115 0.000 1.084 371 D HN 0.342 nan 8.370 nan 0.000 0.495 372 F N 1.016 121.063 119.950 0.162 0.000 2.120 372 F HA -0.100 4.427 4.527 -0.000 0.000 0.300 372 F C -0.484 175.357 175.800 0.068 0.000 1.095 372 F CA 0.922 58.984 58.000 0.103 0.000 1.249 372 F CB -1.415 37.642 39.000 0.095 0.000 0.995 372 F HN 0.335 nan 8.300 nan 0.000 0.480 373 P HA -0.184 nan 4.420 nan 0.000 0.215 373 P C 1.915 179.282 177.300 0.111 0.000 1.157 373 P CA 1.183 64.400 63.100 0.195 0.000 0.868 373 P CB -0.008 31.813 31.700 0.202 0.000 0.788 374 L N -0.852 120.414 121.223 0.072 0.000 2.109 374 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 374 L C 2.181 179.066 176.870 0.024 0.000 1.086 374 L CA 1.603 56.486 54.840 0.072 0.000 0.760 374 L CB -1.112 41.000 42.059 0.089 0.000 0.910 374 L HN -0.205 nan 8.230 nan 0.000 0.437 375 V N -0.278 119.555 119.914 -0.135 0.000 2.343 375 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 375 V C 2.292 178.343 176.094 -0.073 0.000 1.051 375 V CA 1.951 64.107 62.300 -0.239 0.000 1.036 375 V CB -0.706 30.671 31.823 -0.743 0.000 0.654 375 V HN 0.523 nan 8.190 nan 0.000 0.451 376 D N 0.228 120.638 120.400 0.016 0.000 2.097 376 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 376 D C 2.124 178.441 176.300 0.028 0.000 0.989 376 D CA 1.551 55.597 54.000 0.077 0.000 0.827 376 D CB -0.167 40.724 40.800 0.150 0.000 0.966 376 D HN 0.365 nan 8.370 nan 0.000 0.456 377 A N -0.031 122.796 122.820 0.012 0.000 1.883 377 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 377 A C 2.175 179.700 177.584 -0.099 0.000 1.186 377 A CA 2.117 54.135 52.037 -0.032 0.000 0.624 377 A CB -0.789 18.195 19.000 -0.027 0.000 0.822 377 A HN 0.390 nan 8.150 nan 0.000 0.444 378 M N -0.243 119.274 119.600 -0.138 0.000 2.175 378 M HA -0.043 4.437 4.480 -0.000 0.000 0.264 378 M C 2.008 178.234 176.300 -0.123 0.000 1.063 378 M CA 1.483 56.638 55.300 -0.242 0.000 1.119 378 M CB -0.532 31.829 32.600 -0.398 0.000 1.377 378 M HN 0.376 nan 8.290 nan 0.000 0.415 379 R N -0.309 120.156 120.500 -0.057 0.000 2.096 379 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 379 R C 1.892 178.187 176.300 -0.008 0.000 1.127 379 R CA 1.487 57.580 56.100 -0.011 0.000 0.968 379 R CB -0.628 29.686 30.300 0.023 0.000 0.861 379 R HN 0.458 nan 8.270 nan 0.000 0.440 380 N N 0.998 119.691 118.700 -0.012 0.000 2.069 380 N HA -0.168 4.572 4.740 -0.000 0.000 0.191 380 N C 1.685 177.176 175.510 -0.032 0.000 1.031 380 N CA 1.695 54.738 53.050 -0.012 0.000 0.852 380 N CB -0.468 38.013 38.487 -0.009 0.000 1.018 380 N HN 0.212 nan 8.380 nan 0.000 0.423 381 A N 0.921 123.702 122.820 -0.066 0.000 1.902 381 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 381 A C 2.352 179.908 177.584 -0.047 0.000 1.181 381 A CA 1.022 53.012 52.037 -0.078 0.000 0.623 381 A CB -0.659 18.256 19.000 -0.141 0.000 0.818 381 A HN 0.239 nan 8.150 nan 0.000 0.443 382 L N -0.971 120.228 121.223 -0.040 0.000 2.179 382 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 382 L C 2.642 179.514 176.870 0.003 0.000 1.096 382 L CA 1.168 56.002 54.840 -0.010 0.000 0.779 382 L CB -0.210 41.850 42.059 0.002 0.000 0.922 382 L HN 0.302 nan 8.230 nan 0.000 0.443 383 S N -0.707 114.995 115.700 0.002 0.000 2.406 383 S HA -0.013 4.456 4.470 -0.000 0.000 0.224 383 S C 1.019 175.622 174.600 0.005 0.000 1.030 383 S CA 0.594 58.798 58.200 0.008 0.000 0.958 383 S CB 0.021 63.230 63.200 0.015 0.000 0.811 383 S HN 0.258 nan 8.310 nan 0.000 0.489 384 K N 3.024 123.424 120.400 0.000 0.000 2.715 384 K HA 0.073 4.392 4.320 -0.000 0.000 0.248 384 K C 1.029 177.629 176.600 -0.000 0.000 1.276 384 K CA 0.108 56.395 56.287 -0.000 0.000 1.209 384 K CB -0.263 32.234 32.500 -0.004 0.000 1.509 384 K HN 0.414 nan 8.250 nan 0.000 0.261 385 T N -3.238 111.318 114.554 0.004 0.000 3.007 385 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 385 T C 1.830 176.534 174.700 0.007 0.000 1.107 385 T CA 0.926 63.030 62.100 0.007 0.000 1.118 385 T CB 0.100 68.974 68.868 0.011 0.000 0.889 385 T HN 0.406 nan 8.240 nan 0.000 0.506 386 G N 0.608 109.411 108.800 0.006 0.000 2.813 386 G HA2 0.118 4.078 3.960 -0.000 0.000 0.209 386 G HA3 0.118 4.078 3.960 -0.000 0.000 0.209 386 G C 0.436 175.338 174.900 0.004 0.000 1.150 386 G CA -0.370 44.734 45.100 0.006 0.000 0.785 386 G HN 0.535 nan 8.290 nan 0.000 0.535 387 E N 0.368 120.568 120.200 0.001 0.000 2.283 387 E HA 0.171 4.521 4.350 -0.000 0.000 0.278 387 E C 0.315 176.914 176.600 -0.002 0.000 1.027 387 E CA -0.232 56.167 56.400 -0.002 0.000 0.843 387 E CB 1.401 31.098 29.700 -0.007 0.000 1.062 387 E HN 0.317 nan 8.360 nan 0.000 0.401 388 E N 1.555 121.755 120.200 -0.001 0.000 2.204 388 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 388 E C 0.625 177.223 176.600 -0.003 0.000 0.989 388 E CA 0.788 57.189 56.400 0.001 0.000 0.824 388 E CB 0.111 29.813 29.700 0.003 0.000 0.756 388 E HN 0.222 nan 8.360 nan 0.000 0.477 389 N N -1.075 117.618 118.700 -0.013 0.000 2.622 389 N HA 0.091 4.831 4.740 -0.000 0.000 0.293 389 N C 0.457 175.938 175.510 -0.048 0.000 1.788 389 N CA 0.164 53.198 53.050 -0.027 0.000 0.860 389 N CB 0.623 39.096 38.487 -0.024 0.000 1.388 389 N HN 0.054 nan 8.380 nan 0.000 0.496 390 G N 0.009 108.781 108.800 -0.046 0.000 2.462 390 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.220 390 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.220 390 G C 1.293 176.125 174.900 -0.113 0.000 1.121 390 G CA 0.562 45.626 45.100 -0.061 0.000 0.758 390 G HN 0.429 nan 8.290 nan 0.000 0.559 391 L N 0.299 121.435 121.223 -0.144 0.000 2.353 391 L HA -0.092 4.248 4.340 -0.000 0.000 0.220 391 L C 2.582 179.232 176.870 -0.368 0.000 1.133 391 L CA 0.674 55.347 54.840 -0.279 0.000 0.798 391 L CB -0.348 41.557 42.059 -0.257 0.000 0.922 391 L HN 0.217 nan 8.230 nan 0.000 0.445 392 N N 0.475 119.046 118.700 -0.214 0.000 2.192 392 N HA -0.244 4.496 4.740 -0.000 0.000 0.188 392 N C 1.713 177.180 175.510 -0.072 0.000 1.013 392 N CA 1.377 54.356 53.050 -0.118 0.000 0.863 392 N CB 0.062 38.528 38.487 -0.035 0.000 0.990 392 N HN 0.334 nan 8.380 nan 0.000 0.430 393 E N -0.809 119.329 120.200 -0.103 0.000 2.110 393 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 393 E C 1.818 178.353 176.600 -0.109 0.000 0.988 393 E CA 1.107 57.460 56.400 -0.079 0.000 0.804 393 E CB 0.087 29.746 29.700 -0.068 0.000 0.745 393 E HN 0.218 nan 8.360 nan 0.000 0.458 394 V N 0.665 120.443 119.914 -0.226 0.000 2.270 394 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 394 V C 2.075 178.072 176.094 -0.161 0.000 1.043 394 V CA 1.951 64.098 62.300 -0.255 0.000 1.014 394 V CB -0.708 30.791 31.823 -0.540 0.000 0.645 394 V HN 0.325 nan 8.190 nan 0.000 0.447 395 Y N 1.552 121.554 120.300 -0.496 0.000 2.081 395 Y HA -0.285 4.265 4.550 -0.000 0.000 0.280 395 Y C 2.539 178.418 175.900 -0.035 0.000 1.163 395 Y CA 2.304 60.230 58.100 -0.291 0.000 1.135 395 Y CB -0.352 37.807 38.460 -0.502 0.000 0.970 395 Y HN 0.344 nan 8.280 nan 0.000 0.498 396 E N -0.828 119.257 120.200 -0.192 0.000 2.106 396 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 396 E C 2.096 178.642 176.600 -0.090 0.000 0.984 396 E CA 1.603 57.869 56.400 -0.223 0.000 0.806 396 E CB -0.200 29.454 29.700 -0.076 0.000 0.750 396 E HN 0.509 nan 8.360 nan 0.000 0.458 397 T N 1.796 116.334 114.554 -0.026 0.000 2.708 397 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 397 T C 1.989 176.727 174.700 0.064 0.000 1.037 397 T CA 0.715 62.831 62.100 0.026 0.000 1.146 397 T CB -0.226 68.671 68.868 0.048 0.000 0.865 397 T HN 0.092 nan 8.240 nan 0.000 0.435 398 L N 1.569 122.862 121.223 0.116 0.000 2.081 398 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 398 L C 2.843 179.785 176.870 0.120 0.000 1.080 398 L CA 1.578 56.516 54.840 0.164 0.000 0.754 398 L CB -0.630 41.618 42.059 0.315 0.000 0.893 398 L HN 0.410 nan 8.230 nan 0.000 0.433 399 S N -0.255 115.503 115.700 0.097 0.000 2.469 399 S HA -0.138 4.332 4.470 -0.000 0.000 0.238 399 S C 1.629 176.306 174.600 0.128 0.000 0.998 399 S CA 0.779 59.030 58.200 0.086 0.000 0.957 399 S CB -0.501 62.665 63.200 -0.056 0.000 0.764 399 S HN 0.474 nan 8.310 nan 0.000 0.514 400 L N 0.982 122.210 121.223 0.007 0.000 2.612 400 L HA 0.189 4.529 4.340 -0.000 0.000 0.230 400 L C 1.400 178.062 176.870 -0.347 0.000 1.140 400 L CA 0.087 54.784 54.840 -0.238 0.000 0.896 400 L CB -0.436 41.506 42.059 -0.196 0.000 1.065 400 L HN 0.147 nan 8.230 nan 0.000 0.447 401 D N 0.234 120.611 120.400 -0.039 0.000 2.263 401 D HA -0.211 4.429 4.640 -0.000 0.000 0.208 401 D C 1.936 178.267 176.300 0.051 0.000 0.971 401 D CA 1.107 55.171 54.000 0.107 0.000 0.867 401 D CB -0.016 40.850 40.800 0.110 0.000 0.929 401 D HN 0.564 nan 8.370 nan 0.000 0.492 402 Y N -0.491 119.847 120.300 0.063 0.000 2.483 402 Y HA -0.026 4.524 4.550 -0.000 0.000 0.291 402 Y C 1.787 177.689 175.900 0.003 0.000 1.143 402 Y CA 0.516 58.635 58.100 0.033 0.000 1.289 402 Y CB -0.816 37.649 38.460 0.009 0.000 0.983 402 Y HN -0.057 nan 8.280 nan 0.000 0.556 403 L N -0.748 120.087 121.223 -0.646 0.000 2.275 403 L HA -0.087 4.253 4.340 -0.000 0.000 0.215 403 L C 0.023 176.697 176.870 -0.328 0.000 1.119 403 L CA 0.426 54.971 54.840 -0.492 0.000 0.790 403 L CB -0.411 41.232 42.059 -0.693 0.000 0.919 403 L HN 0.198 nan 8.230 nan 0.000 0.443 404 Y N -0.507 119.741 120.300 -0.087 0.000 2.313 404 Y HA 0.203 4.753 4.550 -0.000 0.000 0.332 404 Y C -1.334 174.562 175.900 -0.007 0.000 1.071 404 Y CA -2.522 55.560 58.100 -0.030 0.000 1.169 404 Y CB 0.234 38.678 38.460 -0.027 0.000 1.192 404 Y HN -0.173 nan 8.280 nan 0.000 0.487 405 P HA -0.149 nan 4.420 nan 0.000 0.216 405 P C -0.266 177.082 177.300 0.080 0.000 1.150 405 P CA 1.636 64.792 63.100 0.094 0.000 0.837 405 P CB 0.466 32.205 31.700 0.066 0.000 0.786 406 E N -1.986 118.264 120.200 0.084 0.000 3.352 406 E HA 0.141 4.491 4.350 -0.000 0.000 0.254 406 E C -2.088 174.494 176.600 -0.029 0.000 1.229 406 E CA -1.423 54.989 56.400 0.020 0.000 0.949 406 E CB 0.984 30.680 29.700 -0.005 0.000 1.373 406 E HN 0.252 nan 8.360 nan 0.000 0.392 407 P HA -0.213 nan 4.420 nan 0.000 0.220 407 P C 1.432 178.633 177.300 -0.165 0.000 1.148 407 P CA 1.152 64.154 63.100 -0.163 0.000 0.803 407 P CB 0.321 31.993 31.700 -0.047 0.000 0.782 408 Q N -0.264 119.479 119.800 -0.095 0.000 2.364 408 Q HA -0.113 4.227 4.340 -0.000 0.000 0.207 408 Q C 0.927 176.879 176.000 -0.080 0.000 0.970 408 Q CA 1.347 57.099 55.803 -0.085 0.000 0.888 408 Q CB -1.139 27.563 28.738 -0.061 0.000 0.951 408 Q HN 0.203 nan 8.270 nan 0.000 0.469 409 N N 0.380 119.027 118.700 -0.089 0.000 2.336 409 N HA 0.205 4.945 4.740 -0.000 0.000 0.189 409 N C 0.074 175.538 175.510 -0.077 0.000 1.113 409 N CA 0.057 53.059 53.050 -0.079 0.000 0.858 409 N CB 0.290 38.727 38.487 -0.083 0.000 0.970 409 N HN 0.241 nan 8.380 nan 0.000 0.471 410 L N 0.647 121.791 121.223 -0.132 0.000 2.436 410 L HA 0.195 4.535 4.340 -0.000 0.000 0.265 410 L C 0.218 177.050 176.870 -0.063 0.000 1.168 410 L CA -0.461 54.292 54.840 -0.145 0.000 0.815 410 L CB 0.963 42.836 42.059 -0.311 0.000 1.109 410 L HN -0.247 nan 8.230 nan 0.000 0.462 411 V N 3.851 123.755 119.914 -0.015 0.000 2.348 411 V HA 0.189 4.309 4.120 -0.000 0.000 0.270 411 V C 0.027 176.163 176.094 0.070 0.000 1.037 411 V CA -0.382 61.946 62.300 0.046 0.000 0.872 411 V CB 1.271 33.124 31.823 0.050 0.000 1.002 411 V HN 0.358 nan 8.190 nan 0.000 0.464 412 L N 7.741 128.976 121.223 0.021 0.000 2.307 412 L HA 0.732 5.071 4.340 -0.000 0.000 0.282 412 L C -0.571 176.324 176.870 0.041 0.000 1.051 412 L CA 0.090 54.880 54.840 -0.082 0.000 0.804 412 L CB 0.953 42.911 42.059 -0.168 0.000 1.197 412 L HN 0.569 nan 8.230 nan 0.000 0.431 413 F N 1.377 121.286 119.950 -0.069 0.000 2.588 413 F HA 0.717 5.244 4.527 -0.000 0.000 0.314 413 F C 0.888 176.686 175.800 -0.003 0.000 1.069 413 F CA -0.636 57.346 58.000 -0.030 0.000 0.931 413 F CB 1.202 40.146 39.000 -0.095 0.000 1.260 413 F HN 0.434 nan 8.300 nan 0.000 0.465 414 G N 0.026 108.933 108.800 0.178 0.000 2.448 414 G HA2 0.420 4.380 3.960 -0.000 0.000 0.218 414 G HA3 0.420 4.380 3.960 -0.000 0.000 0.218 414 G C 0.371 175.335 174.900 0.107 0.000 1.135 414 G CA 0.429 45.578 45.100 0.082 0.000 0.784 414 G HN 1.344 nan 8.290 nan 0.000 0.543 415 G N -0.767 108.172 108.800 0.231 0.000 2.321 415 G HA2 0.471 4.431 3.960 -0.000 0.000 0.296 415 G HA3 0.471 4.431 3.960 -0.000 0.000 0.296 415 G C -1.609 173.269 174.900 -0.038 0.000 1.287 415 G CA -0.079 45.128 45.100 0.178 0.000 0.846 415 G HN 0.889 nan 8.290 nan 0.000 0.508 416 N N -3.277 115.183 118.700 -0.399 0.000 3.378 416 N HA 0.275 5.015 4.740 -0.000 0.000 0.294 416 N C 0.576 175.386 175.510 -1.167 0.000 1.544 416 N CA -0.010 52.521 53.050 -0.865 0.000 0.872 416 N CB 0.158 38.329 38.487 -0.527 0.000 1.670 416 N HN 0.744 nan 8.380 nan 0.000 0.551 417 H N -1.787 116.633 119.070 -1.083 0.000 2.563 417 H HA 0.215 4.771 4.556 -0.000 0.000 0.272 417 H C -0.739 174.573 175.328 -0.027 0.000 1.005 417 H CA 0.712 56.477 56.048 -0.471 0.000 1.171 417 H CB -0.244 29.431 29.762 -0.144 0.000 1.351 417 H HN 0.544 nan 8.280 nan 0.000 0.602 418 D N 0.238 120.339 120.400 -0.498 0.000 2.433 418 D HA 0.230 4.870 4.640 -0.000 0.000 0.211 418 D C 0.339 176.553 176.300 -0.143 0.000 1.114 418 D CA 0.109 54.012 54.000 -0.162 0.000 0.837 418 D CB 0.904 41.657 40.800 -0.078 0.000 0.984 418 D HN 0.368 nan 8.370 nan 0.000 0.505 419 M N -0.218 119.005 119.600 -0.629 0.000 2.667 419 M HA 0.546 5.026 4.480 -0.000 0.000 0.286 419 M C -0.554 175.049 176.300 -1.162 0.000 1.270 419 M CA -1.034 53.858 55.300 -0.680 0.000 0.826 419 M CB 2.219 34.718 32.600 -0.169 0.000 1.743 419 M HN -0.249 nan 8.290 nan 0.000 0.460 420 A N 1.105 123.567 122.820 -0.597 0.000 2.520 420 A HA 0.289 4.609 4.320 -0.000 0.000 0.235 420 A C 0.035 177.603 177.584 -0.027 0.000 1.065 420 A CA -0.048 51.882 52.037 -0.178 0.000 0.764 420 A CB 0.179 19.221 19.000 0.072 0.000 1.002 420 A HN 0.715 nan 8.150 nan 0.000 0.502 421 R N 1.914 122.515 120.500 0.168 0.000 2.538 421 R HA -0.037 4.303 4.340 -0.000 0.000 0.282 421 R C 1.452 177.886 176.300 0.223 0.000 1.009 421 R CA 0.269 56.507 56.100 0.229 0.000 1.063 421 R CB 0.034 30.501 30.300 0.279 0.000 0.945 421 R HN 1.000 nan 8.270 nan 0.000 0.414 422 M N 3.024 122.774 119.600 0.250 0.000 2.103 422 M HA -0.284 4.196 4.480 -0.000 0.000 0.255 422 M C 1.469 178.043 176.300 0.457 0.000 1.074 422 M CA 2.053 57.537 55.300 0.307 0.000 1.090 422 M CB -0.181 32.609 32.600 0.317 0.000 1.325 422 M HN 0.573 nan 8.290 nan 0.000 0.403 423 F N 0.483 120.605 119.950 0.288 0.000 2.134 423 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 423 F C 2.391 178.288 175.800 0.161 0.000 1.097 423 F CA 1.848 59.972 58.000 0.207 0.000 1.264 423 F CB -0.728 38.267 39.000 -0.007 0.000 1.001 423 F HN 0.153 nan 8.300 nan 0.000 0.479 424 S N 0.165 115.921 115.700 0.094 0.000 2.382 424 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 424 S C 2.307 176.912 174.600 0.008 0.000 1.027 424 S CA 0.969 59.162 58.200 -0.011 0.000 0.991 424 S CB -0.765 62.489 63.200 0.090 0.000 0.823 424 S HN 0.483 nan 8.310 nan 0.000 0.469 425 A N 1.026 123.896 122.820 0.083 0.000 2.019 425 A HA 0.176 4.496 4.320 -0.000 0.000 0.219 425 A C 1.992 179.611 177.584 0.059 0.000 1.164 425 A CA 1.463 53.546 52.037 0.077 0.000 0.644 425 A CB -0.577 18.482 19.000 0.099 0.000 0.805 425 A HN 0.497 nan 8.150 nan 0.000 0.449 426 A N -1.476 121.387 122.820 0.071 0.000 2.302 426 A HA 0.439 4.759 4.320 -0.000 0.000 0.219 426 A C 1.609 179.171 177.584 -0.038 0.000 1.243 426 A CA 0.940 53.017 52.037 0.067 0.000 0.856 426 A CB -1.104 18.027 19.000 0.217 0.000 0.893 426 A HN 1.817 nan 8.150 nan 0.000 0.491 427 G N -0.170 108.574 108.800 -0.094 0.000 2.198 427 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.260 427 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.260 427 G C 0.107 174.850 174.900 -0.261 0.000 1.025 427 G CA 0.525 45.551 45.100 -0.125 0.000 0.769 427 G HN 0.863 nan 8.290 nan 0.000 0.507 428 E N -1.129 118.710 120.200 -0.602 0.000 2.722 428 E HA -0.223 4.127 4.350 -0.000 0.000 0.265 428 E C 0.090 176.375 176.600 -0.525 0.000 1.081 428 E CA 1.034 56.677 56.400 -1.262 0.000 0.781 428 E CB -0.660 28.638 29.700 -0.669 0.000 1.372 428 E HN 0.635 nan 8.360 nan 0.000 0.423 429 D N -0.359 119.943 120.400 -0.164 0.000 2.396 429 D HA 0.081 4.721 4.640 -0.000 0.000 0.225 429 D C 0.436 176.990 176.300 0.424 0.000 1.121 429 D CA -0.340 53.748 54.000 0.147 0.000 0.853 429 D CB 0.366 41.223 40.800 0.095 0.000 1.043 429 D HN -0.006 nan 8.370 nan 0.000 0.500 430 F N 3.901 124.099 119.950 0.415 0.000 2.154 430 F HA -0.224 4.303 4.527 -0.000 0.000 0.301 430 F C 1.603 177.650 175.800 0.413 0.000 1.087 430 F CA 1.535 59.808 58.000 0.455 0.000 1.274 430 F CB 0.318 39.462 39.000 0.242 0.000 1.009 430 F HN 0.381 nan 8.300 nan 0.000 0.485 431 D N -0.126 120.454 120.400 0.300 0.000 2.097 431 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 431 D C 2.400 178.764 176.300 0.107 0.000 0.984 431 D CA 1.226 55.318 54.000 0.153 0.000 0.826 431 D CB -0.369 40.527 40.800 0.161 0.000 0.973 431 D HN 0.361 nan 8.370 nan 0.000 0.460 432 R N -0.267 120.323 120.500 0.150 0.000 2.092 432 R HA -0.127 4.213 4.340 -0.000 0.000 0.231 432 R C 2.206 178.596 176.300 0.150 0.000 1.119 432 R CA 0.897 57.070 56.100 0.122 0.000 0.970 432 R CB -0.369 29.995 30.300 0.107 0.000 0.864 432 R HN 0.275 nan 8.270 nan 0.000 0.440 433 W N 2.046 123.378 121.300 0.053 0.000 2.338 433 W HA -0.183 4.477 4.660 -0.000 0.000 0.304 433 W C 2.295 178.799 176.519 -0.026 0.000 1.212 433 W CA 1.331 58.724 57.345 0.079 0.000 1.264 433 W CB -0.128 29.469 29.460 0.229 0.000 1.142 433 W HN -0.093 nan 8.180 nan 0.000 0.512 434 R N -0.113 120.330 120.500 -0.095 0.000 2.091 434 R HA -0.227 4.113 4.340 -0.000 0.000 0.238 434 R C 2.243 178.424 176.300 -0.198 0.000 1.136 434 R CA 2.332 58.264 56.100 -0.280 0.000 0.959 434 R CB -0.604 29.581 30.300 -0.192 0.000 0.856 434 R HN 0.280 nan 8.270 nan 0.000 0.437 435 M N -0.219 119.333 119.600 -0.079 0.000 2.080 435 M HA -0.214 4.266 4.480 -0.000 0.000 0.260 435 M C 2.134 178.447 176.300 0.022 0.000 1.068 435 M CA 2.007 57.304 55.300 -0.004 0.000 1.109 435 M CB -0.628 31.991 32.600 0.032 0.000 1.342 435 M HN 0.323 nan 8.290 nan 0.000 0.405 436 N N 0.484 119.156 118.700 -0.047 0.000 2.104 436 N HA -0.195 4.545 4.740 -0.000 0.000 0.190 436 N C 1.717 177.224 175.510 -0.006 0.000 1.024 436 N CA 0.861 53.909 53.050 -0.003 0.000 0.853 436 N CB 0.084 38.534 38.487 -0.061 0.000 1.008 436 N HN 0.114 nan 8.380 nan 0.000 0.424 437 L N 0.750 121.802 121.223 -0.285 0.000 2.017 437 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 437 L C 2.085 178.928 176.870 -0.045 0.000 1.073 437 L CA 1.273 55.955 54.840 -0.263 0.000 0.745 437 L CB -0.579 41.088 42.059 -0.654 0.000 0.894 437 L HN 0.026 nan 8.230 nan 0.000 0.432 438 V N -0.534 119.364 119.914 -0.026 0.000 2.295 438 V HA -0.321 3.799 4.120 -0.000 0.000 0.246 438 V C 2.327 178.541 176.094 0.201 0.000 1.049 438 V CA 2.104 64.443 62.300 0.065 0.000 1.024 438 V CB -0.907 30.930 31.823 0.024 0.000 0.648 438 V HN 0.541 nan 8.190 nan 0.000 0.447 439 F N 0.661 120.673 119.950 0.103 0.000 2.069 439 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 439 F C 2.108 177.980 175.800 0.119 0.000 1.113 439 F CA 2.119 60.227 58.000 0.179 0.000 1.214 439 F CB -0.498 38.610 39.000 0.180 0.000 0.978 439 F HN 0.140 nan 8.300 nan 0.000 0.474 440 L N 0.248 121.509 121.223 0.063 0.000 2.042 440 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 440 L C 1.951 178.814 176.870 -0.011 0.000 1.076 440 L CA 1.880 56.699 54.840 -0.035 0.000 0.749 440 L CB -0.699 41.432 42.059 0.119 0.000 0.893 440 L HN 0.198 nan 8.230 nan 0.000 0.432 441 M N -1.190 118.453 119.600 0.071 0.000 2.561 441 M HA 0.091 4.571 4.480 -0.000 0.000 0.238 441 M C 1.490 177.871 176.300 0.135 0.000 1.131 441 M CA 1.139 56.508 55.300 0.116 0.000 1.046 441 M CB -1.139 31.567 32.600 0.177 0.000 1.532 441 M HN 0.574 nan 8.290 nan 0.000 0.497 442 T N -4.303 110.311 114.554 0.100 0.000 2.975 442 T HA 0.277 4.627 4.350 -0.000 0.000 0.261 442 T C 0.882 175.598 174.700 0.027 0.000 0.984 442 T CA -0.269 61.913 62.100 0.136 0.000 0.911 442 T CB 0.608 69.642 68.868 0.278 0.000 1.127 442 T HN -0.041 nan 8.240 nan 0.000 0.514 443 M N 3.220 122.731 119.600 -0.149 0.000 2.232 443 M HA 0.259 4.739 4.480 -0.000 0.000 0.321 443 M C -2.287 173.920 176.300 -0.155 0.000 1.101 443 M CA -2.276 52.864 55.300 -0.266 0.000 1.181 443 M CB -0.024 32.259 32.600 -0.529 0.000 1.432 443 M HN -0.039 nan 8.290 nan 0.000 0.457 444 P HA 0.199 nan 4.420 nan 0.000 0.244 444 P C -0.626 176.608 177.300 -0.109 0.000 1.769 444 P CA 0.224 63.262 63.100 -0.103 0.000 1.102 444 P CB 0.125 31.766 31.700 -0.099 0.000 1.937 445 R N 1.423 121.865 120.500 -0.096 0.000 2.752 445 R HA 0.512 4.852 4.340 -0.000 0.000 0.271 445 R C -0.182 176.096 176.300 -0.037 0.000 1.026 445 R CA -1.134 54.911 56.100 -0.091 0.000 0.901 445 R CB 1.200 31.420 30.300 -0.134 0.000 1.243 445 R HN 0.209 nan 8.270 nan 0.000 0.463 446 I N 4.024 124.591 120.570 -0.005 0.000 2.301 446 I HA 0.224 4.394 4.170 -0.000 0.000 0.292 446 I C -1.898 174.262 176.117 0.071 0.000 1.046 446 I CA -1.775 59.556 61.300 0.053 0.000 1.282 446 I CB 1.289 39.364 38.000 0.125 0.000 1.409 446 I HN 0.052 nan 8.210 nan 0.000 0.484 447 P HA 0.109 nan 4.420 nan 0.000 0.279 447 P C -1.205 176.237 177.300 0.236 0.000 1.239 447 P CA -0.382 62.804 63.100 0.145 0.000 0.789 447 P CB 1.392 33.182 31.700 0.149 0.000 0.933 448 Q N 3.105 123.075 119.800 0.284 0.000 2.375 448 Q HA 0.484 4.824 4.340 -0.000 0.000 0.271 448 Q C -2.188 174.056 176.000 0.408 0.000 1.074 448 Q CA -0.743 55.255 55.803 0.326 0.000 0.808 448 Q CB 1.893 30.790 28.738 0.265 0.000 1.327 448 Q HN 0.413 nan 8.270 nan 0.000 0.441 449 F N 3.004 123.052 119.950 0.164 0.000 2.551 449 F HA 0.439 4.966 4.527 -0.000 0.000 0.316 449 F C -1.722 174.024 175.800 -0.090 0.000 1.089 449 F CA -0.787 57.285 58.000 0.120 0.000 0.915 449 F CB 1.478 40.610 39.000 0.219 0.000 1.186 449 F HN 0.569 nan 8.300 nan 0.000 0.456 450 Y N 4.407 124.362 120.300 -0.574 0.000 2.328 450 Y HA 0.387 4.937 4.550 -0.000 0.000 0.337 450 Y C 0.111 175.741 175.900 -0.449 0.000 1.008 450 Y CA -1.025 56.787 58.100 -0.480 0.000 1.129 450 Y CB 1.113 39.389 38.460 -0.306 0.000 1.185 450 Y HN 0.570 nan 8.280 nan 0.000 0.476 451 S N 4.171 119.325 115.700 -0.909 0.000 2.563 451 S HA 0.340 4.810 4.470 -0.000 0.000 0.294 451 S C 1.171 175.606 174.600 -0.275 0.000 1.279 451 S CA 1.472 59.269 58.200 -0.672 0.000 1.069 451 S CB -0.508 62.288 63.200 -0.674 0.000 0.828 451 S HN 1.575 nan 8.310 nan 0.000 0.497 452 G N 4.720 113.708 108.800 0.313 0.000 2.279 452 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.223 452 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.223 452 G C 0.558 175.554 174.900 0.160 0.000 1.015 452 G CA 0.442 45.675 45.100 0.221 0.000 0.621 452 G HN 0.667 nan 8.290 nan 0.000 0.506 453 D N 1.454 121.930 120.400 0.125 0.000 2.264 453 D HA -0.018 4.622 4.640 -0.000 0.000 0.208 453 D C 2.425 179.051 176.300 0.543 0.000 0.966 453 D CA 1.311 55.426 54.000 0.191 0.000 0.864 453 D CB -0.126 40.557 40.800 -0.195 0.000 0.933 453 D HN 0.755 nan 8.370 nan 0.000 0.499 454 E N 1.212 121.892 120.200 0.799 0.000 2.418 454 E HA -0.130 4.220 4.350 -0.000 0.000 0.197 454 E C 1.481 178.274 176.600 0.320 0.000 1.026 454 E CA 0.542 57.375 56.400 0.721 0.000 0.862 454 E CB -0.182 29.908 29.700 0.649 0.000 0.799 454 E HN 0.363 nan 8.360 nan 0.000 0.518 455 I N -1.302 119.364 120.570 0.161 0.000 3.762 455 I HA 0.266 4.436 4.170 -0.000 0.000 0.333 455 I C 0.351 176.348 176.117 -0.201 0.000 1.566 455 I CA -0.785 60.481 61.300 -0.058 0.000 1.129 455 I CB -0.606 37.332 38.000 -0.104 0.000 1.218 455 I HN -0.071 nan 8.210 nan 0.000 0.456 456 L N 0.073 121.138 121.223 -0.264 0.000 3.634 456 L HA -0.212 4.128 4.340 -0.000 0.000 0.423 456 L C 0.433 177.233 176.870 -0.118 0.000 1.253 456 L CA 0.514 55.067 54.840 -0.479 0.000 0.885 456 L CB -1.711 39.644 42.059 -1.174 0.000 1.789 456 L HN 0.460 nan 8.230 nan 0.000 0.904 457 M N 0.279 119.878 119.600 -0.003 0.000 2.252 457 M HA 0.169 4.649 4.480 -0.000 0.000 0.333 457 M C 1.080 177.487 176.300 0.179 0.000 1.111 457 M CA 1.234 56.570 55.300 0.061 0.000 1.140 457 M CB 0.655 33.278 32.600 0.039 0.000 1.538 457 M HN 0.381 nan 8.290 nan 0.000 0.448 458 T N -0.642 114.015 114.554 0.172 0.000 2.940 458 T HA 0.847 5.197 4.350 -0.000 0.000 0.288 458 T C -0.303 174.504 174.700 0.179 0.000 1.045 458 T CA -0.787 61.434 62.100 0.201 0.000 1.018 458 T CB 1.837 70.812 68.868 0.179 0.000 1.151 458 T HN 0.795 nan 8.240 nan 0.000 0.529 459 S N -0.362 115.452 115.700 0.190 0.000 2.776 459 S HA 0.719 5.189 4.470 -0.000 0.000 0.292 459 S C 0.005 174.706 174.600 0.168 0.000 1.187 459 S CA -0.549 57.777 58.200 0.210 0.000 0.834 459 S CB 0.649 64.085 63.200 0.392 0.000 1.199 459 S HN 1.281 nan 8.310 nan 0.000 0.514 460 T N -0.853 113.798 114.554 0.160 0.000 2.802 460 T HA 0.410 4.760 4.350 -0.000 0.000 0.305 460 T C 1.399 176.223 174.700 0.206 0.000 1.053 460 T CA 0.067 62.251 62.100 0.140 0.000 1.058 460 T CB 0.465 69.387 68.868 0.090 0.000 0.988 460 T HN 1.607 nan 8.240 nan 0.000 0.539 461 V N -2.841 117.161 119.914 0.146 0.000 3.379 461 V HA 0.409 4.529 4.120 -0.000 0.000 0.249 461 V C 0.427 176.603 176.094 0.138 0.000 1.184 461 V CA 0.020 62.402 62.300 0.137 0.000 1.106 461 V CB -0.399 31.473 31.823 0.082 0.000 0.826 461 V HN 0.599 nan 8.190 nan 0.000 0.465 462 K N 1.530 122.003 120.400 0.122 0.000 2.156 462 K HA 0.683 5.003 4.320 -0.000 0.000 0.250 462 K C 0.729 177.399 176.600 0.117 0.000 0.955 462 K CA 0.410 56.758 56.287 0.101 0.000 0.855 462 K CB 1.153 33.692 32.500 0.065 0.000 1.101 462 K HN 0.569 nan 8.250 nan 0.000 0.434 463 G N 1.948 110.806 108.800 0.096 0.000 2.564 463 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.273 463 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.273 463 G C -0.580 174.405 174.900 0.142 0.000 1.242 463 G CA 0.097 45.245 45.100 0.080 0.000 0.951 463 G HN 0.653 nan 8.290 nan 0.000 0.564 464 R N 0.531 121.097 120.500 0.110 0.000 2.393 464 R HA 0.547 4.886 4.340 -0.000 0.000 0.315 464 R C -1.539 174.812 176.300 0.084 0.000 0.952 464 R CA -0.244 55.955 56.100 0.164 0.000 0.842 464 R CB 1.213 31.552 30.300 0.065 0.000 1.163 464 R HN 0.504 nan 8.270 nan 0.000 0.450 465 D N 3.376 123.774 120.400 -0.004 0.000 2.735 465 D HA 0.121 4.761 4.640 -0.000 0.000 0.291 465 D C -0.150 175.733 176.300 -0.695 0.000 1.205 465 D CA -0.324 53.508 54.000 -0.280 0.000 0.777 465 D CB 0.757 41.416 40.800 -0.235 0.000 1.234 465 D HN 0.512 nan 8.370 nan 0.000 0.520 466 D N 0.867 121.101 120.400 -0.276 0.000 2.154 466 D HA -0.234 4.406 4.640 -0.000 0.000 0.190 466 D C 1.950 178.188 176.300 -0.103 0.000 1.003 466 D CA 1.740 55.680 54.000 -0.100 0.000 0.849 466 D CB -0.074 40.803 40.800 0.129 0.000 0.942 466 D HN 0.499 nan 8.370 nan 0.000 0.446 467 A N 0.196 122.998 122.820 -0.031 0.000 1.978 467 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 467 A C 2.316 179.882 177.584 -0.030 0.000 1.170 467 A CA 2.064 54.125 52.037 0.040 0.000 0.636 467 A CB -0.691 18.346 19.000 0.063 0.000 0.810 467 A HN 0.228 nan 8.150 nan 0.000 0.448 468 S N -1.613 113.963 115.700 -0.206 0.000 2.423 468 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 468 S C 1.437 176.072 174.600 0.057 0.000 1.014 468 S CA 1.194 59.316 58.200 -0.131 0.000 0.965 468 S CB -0.437 62.637 63.200 -0.211 0.000 0.785 468 S HN 0.657 nan 8.310 nan 0.000 0.495 469 Y N 0.769 121.186 120.300 0.195 0.000 2.466 469 Y HA 0.398 4.948 4.550 -0.000 0.000 0.272 469 Y C 1.620 177.735 175.900 0.357 0.000 1.169 469 Y CA -0.191 58.066 58.100 0.262 0.000 1.285 469 Y CB 0.029 38.621 38.460 0.220 0.000 1.078 469 Y HN 0.122 nan 8.280 nan 0.000 0.523 470 R N 0.357 121.085 120.500 0.379 0.000 2.659 470 R HA 0.198 4.538 4.340 -0.000 0.000 0.418 470 R C -0.243 176.189 176.300 0.221 0.000 1.076 470 R CA -0.357 55.959 56.100 0.361 0.000 1.093 470 R CB 0.669 31.193 30.300 0.373 0.000 1.400 470 R HN 0.000 nan 8.270 nan 0.000 0.583 471 R N 1.640 122.245 120.500 0.176 0.000 2.623 471 R HA 0.030 4.369 4.340 -0.000 0.000 0.271 471 R C -0.087 176.283 176.300 0.117 0.000 1.043 471 R CA 0.028 56.194 56.100 0.109 0.000 1.083 471 R CB 0.214 30.552 30.300 0.063 0.000 0.974 471 R HN 0.020 nan 8.270 nan 0.000 0.436 472 D N 1.801 122.231 120.400 0.050 0.000 2.533 472 D HA -0.128 4.512 4.640 -0.000 0.000 0.236 472 D C 0.087 176.475 176.300 0.147 0.000 1.137 472 D CA 0.366 54.386 54.000 0.034 0.000 0.867 472 D CB 0.071 40.598 40.800 -0.455 0.000 1.170 472 D HN 0.254 nan 8.370 nan 0.000 0.474 473 F N 4.410 124.485 119.950 0.209 0.000 2.578 473 F HA 0.117 4.644 4.527 -0.000 0.000 0.381 473 F C -1.667 174.131 175.800 -0.004 0.000 1.069 473 F CA -1.705 56.355 58.000 0.100 0.000 1.231 473 F CB 0.466 39.565 39.000 0.165 0.000 1.086 473 F HN 0.165 nan 8.300 nan 0.000 0.564 474 P HA 0.192 nan 4.420 nan 0.000 0.270 474 P C 0.375 177.424 177.300 -0.418 0.000 1.242 474 P CA 0.825 63.677 63.100 -0.412 0.000 0.768 474 P CB 0.842 32.257 31.700 -0.475 0.000 0.820 475 G N 3.167 111.919 108.800 -0.081 0.000 2.218 475 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 475 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 475 G C 1.094 176.175 174.900 0.301 0.000 0.994 475 G CA 0.038 45.168 45.100 0.051 0.000 0.637 475 G HN 0.660 nan 8.290 nan 0.000 0.505 476 G N -1.015 108.014 108.800 0.381 0.000 2.534 476 G HA2 0.206 4.166 3.960 -0.000 0.000 0.217 476 G HA3 0.206 4.166 3.960 -0.000 0.000 0.217 476 G C 0.600 175.563 174.900 0.106 0.000 1.128 476 G CA 0.667 45.947 45.100 0.301 0.000 0.784 476 G HN 0.427 nan 8.290 nan 0.000 0.542 477 W N -0.463 120.880 121.300 0.072 0.000 2.819 477 W HA 0.637 5.297 4.660 -0.000 0.000 0.337 477 W C -0.186 176.357 176.519 0.041 0.000 1.077 477 W CA -1.750 55.627 57.345 0.053 0.000 1.226 477 W CB 1.768 31.248 29.460 0.034 0.000 1.419 477 W HN 0.066 nan 8.180 nan 0.000 0.502 478 A N 1.189 124.129 122.820 0.199 0.000 2.546 478 A HA 0.443 4.763 4.320 -0.000 0.000 0.243 478 A C 1.058 178.725 177.584 0.138 0.000 1.063 478 A CA 1.576 53.690 52.037 0.128 0.000 0.757 478 A CB -0.276 18.771 19.000 0.079 0.000 0.991 478 A HN 1.481 nan 8.150 nan 0.000 0.503 479 G N 1.991 110.848 108.800 0.095 0.000 2.194 479 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.236 479 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.236 479 G C -0.095 174.838 174.900 0.054 0.000 0.987 479 G CA 0.169 45.308 45.100 0.066 0.000 0.635 479 G HN 0.825 nan 8.290 nan 0.000 0.520 480 D N 0.893 121.340 120.400 0.078 0.000 2.450 480 D HA 0.323 4.963 4.640 -0.000 0.000 0.247 480 D C 1.451 177.757 176.300 0.009 0.000 1.162 480 D CA 0.038 54.062 54.000 0.042 0.000 0.879 480 D CB 0.941 41.781 40.800 0.067 0.000 1.163 480 D HN 0.116 nan 8.370 nan 0.000 0.472 481 K N 0.833 121.223 120.400 -0.017 0.000 2.361 481 K HA 0.157 4.477 4.320 -0.000 0.000 0.196 481 K C 0.387 176.961 176.600 -0.043 0.000 1.039 481 K CA 0.107 56.379 56.287 -0.025 0.000 1.001 481 K CB 0.406 32.890 32.500 -0.028 0.000 0.795 481 K HN 0.352 nan 8.250 nan 0.000 0.495 482 A N 1.973 124.753 122.820 -0.067 0.000 2.318 482 A HA 0.513 4.833 4.320 -0.000 0.000 0.324 482 A C -0.730 176.777 177.584 -0.128 0.000 1.170 482 A CA -0.600 51.377 52.037 -0.100 0.000 0.810 482 A CB 0.647 19.571 19.000 -0.127 0.000 1.198 482 A HN 0.102 nan 8.150 nan 0.000 0.484 483 N N 1.825 120.445 118.700 -0.134 0.000 2.581 483 N HA 0.387 5.127 4.740 -0.000 0.000 0.279 483 N C 0.367 175.748 175.510 -0.214 0.000 1.124 483 N CA 0.214 53.172 53.050 -0.153 0.000 0.833 483 N CB 1.840 40.312 38.487 -0.025 0.000 1.338 483 N HN 0.564 nan 8.380 nan 0.000 0.533 484 A N 3.161 125.713 122.820 -0.447 0.000 2.066 484 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 484 A C 1.304 178.723 177.584 -0.274 0.000 1.157 484 A CA 0.776 52.580 52.037 -0.390 0.000 0.670 484 A CB -0.543 18.097 19.000 -0.601 0.000 0.804 484 A HN 0.652 nan 8.150 nan 0.000 0.453 485 F N 0.587 120.424 119.950 -0.189 0.000 2.206 485 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 485 F C 2.838 178.630 175.800 -0.012 0.000 1.090 485 F CA 1.306 59.156 58.000 -0.251 0.000 1.323 485 F CB 0.031 38.865 39.000 -0.276 0.000 1.028 485 F HN 0.362 nan 8.300 nan 0.000 0.492 486 S N -1.221 114.579 115.700 0.167 0.000 2.492 486 S HA 0.397 4.867 4.470 -0.000 0.000 0.218 486 S C 1.729 176.378 174.600 0.081 0.000 1.016 486 S CA 0.504 58.779 58.200 0.125 0.000 0.916 486 S CB 0.644 63.904 63.200 0.100 0.000 0.791 486 S HN 0.517 nan 8.310 nan 0.000 0.513 487 G N 1.147 109.972 108.800 0.042 0.000 2.213 487 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.226 487 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.226 487 G C 0.312 175.207 174.900 -0.009 0.000 0.992 487 G CA -0.136 44.976 45.100 0.020 0.000 0.632 487 G HN 1.349 nan 8.290 nan 0.000 0.511 488 A N 0.349 123.165 122.820 -0.006 0.000 2.548 488 A HA 0.591 4.911 4.320 -0.000 0.000 0.247 488 A C 2.106 179.666 177.584 -0.041 0.000 1.067 488 A CA 2.129 54.157 52.037 -0.016 0.000 0.757 488 A CB -0.287 18.711 19.000 -0.003 0.000 0.996 488 A HN 2.430 nan 8.150 nan 0.000 0.504 489 G N 1.385 110.160 108.800 -0.041 0.000 2.179 489 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.260 489 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.260 489 G C 0.166 175.023 174.900 -0.072 0.000 0.977 489 G CA 0.352 45.419 45.100 -0.054 0.000 0.641 489 G HN 0.826 nan 8.290 nan 0.000 0.533 490 L N 2.135 123.313 121.223 -0.075 0.000 2.397 490 L HA 0.447 4.787 4.340 -0.000 0.000 0.271 490 L C 1.677 178.497 176.870 -0.083 0.000 1.148 490 L CA 0.021 54.807 54.840 -0.090 0.000 0.825 490 L CB 0.719 42.727 42.059 -0.084 0.000 1.117 490 L HN 0.412 nan 8.230 nan 0.000 0.456 491 T N -0.994 113.500 114.554 -0.099 0.000 2.802 491 T HA 0.055 4.405 4.350 -0.000 0.000 0.305 491 T C 1.272 175.902 174.700 -0.116 0.000 1.053 491 T CA -0.429 61.610 62.100 -0.101 0.000 1.058 491 T CB 1.056 69.858 68.868 -0.111 0.000 0.988 491 T HN 0.616 nan 8.240 nan 0.000 0.539 492 S N 0.486 116.118 115.700 -0.114 0.000 2.374 492 S HA -0.223 4.247 4.470 -0.000 0.000 0.227 492 S C 2.040 176.522 174.600 -0.197 0.000 1.037 492 S CA 1.653 59.777 58.200 -0.127 0.000 1.024 492 S CB -0.593 62.539 63.200 -0.114 0.000 0.861 492 S HN 0.856 nan 8.310 nan 0.000 0.456 493 Q N 0.684 120.326 119.800 -0.263 0.000 2.084 493 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 493 Q C 2.256 178.017 176.000 -0.398 0.000 0.978 493 Q CA 1.298 56.833 55.803 -0.447 0.000 0.844 493 Q CB -0.099 28.361 28.738 -0.464 0.000 0.898 493 Q HN 0.610 nan 8.270 nan 0.000 0.426 494 Q N -0.371 119.259 119.800 -0.284 0.000 2.084 494 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 494 Q C 2.094 178.011 176.000 -0.138 0.000 0.978 494 Q CA 1.410 57.068 55.803 -0.242 0.000 0.844 494 Q CB -0.102 28.516 28.738 -0.199 0.000 0.898 494 Q HN 0.099 nan 8.270 nan 0.000 0.426 495 R N 0.990 121.426 120.500 -0.107 0.000 2.096 495 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 495 R C 1.906 178.202 176.300 -0.007 0.000 1.127 495 R CA 1.643 57.721 56.100 -0.038 0.000 0.968 495 R CB -0.734 29.545 30.300 -0.036 0.000 0.861 495 R HN 0.248 nan 8.270 nan 0.000 0.440 496 A N 0.363 123.150 122.820 -0.056 0.000 1.902 496 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 496 A C 2.407 180.107 177.584 0.193 0.000 1.181 496 A CA 1.810 53.855 52.037 0.014 0.000 0.623 496 A CB -1.152 17.774 19.000 -0.124 0.000 0.818 496 A HN 0.485 nan 8.150 nan 0.000 0.443 497 A N -0.831 122.089 122.820 0.167 0.000 1.892 497 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 497 A C 2.227 179.999 177.584 0.313 0.000 1.188 497 A CA 2.006 54.191 52.037 0.246 0.000 0.631 497 A CB -0.677 18.158 19.000 -0.276 0.000 0.822 497 A HN 0.666 nan 8.150 nan 0.000 0.447 498 Q N -0.822 119.090 119.800 0.186 0.000 2.050 498 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 498 Q C 1.419 177.527 176.000 0.179 0.000 0.980 498 Q CA 1.738 57.668 55.803 0.212 0.000 0.840 498 Q CB -0.165 28.682 28.738 0.181 0.000 0.898 498 Q HN 0.610 nan 8.270 nan 0.000 0.424 499 D N 0.374 120.859 120.400 0.141 0.000 2.123 499 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 499 D C 1.807 178.167 176.300 0.101 0.000 0.992 499 D CA 0.729 54.790 54.000 0.102 0.000 0.833 499 D CB -0.155 40.688 40.800 0.072 0.000 0.954 499 D HN 0.206 nan 8.370 nan 0.000 0.455 500 L N 0.370 121.693 121.223 0.166 0.000 2.056 500 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 500 L C 2.213 179.156 176.870 0.121 0.000 1.078 500 L CA 1.147 56.076 54.840 0.148 0.000 0.749 500 L CB -0.396 41.818 42.059 0.259 0.000 0.901 500 L HN -0.125 nan 8.230 nan 0.000 0.433 501 V N 0.082 120.107 119.914 0.185 0.000 2.255 501 V HA -0.336 3.784 4.120 -0.000 0.000 0.247 501 V C 2.775 178.849 176.094 -0.033 0.000 1.051 501 V CA 2.249 64.585 62.300 0.059 0.000 1.018 501 V CB -0.765 31.093 31.823 0.059 0.000 0.641 501 V HN 0.538 nan 8.190 nan 0.000 0.445 502 R N 0.344 120.848 120.500 0.006 0.000 2.083 502 R HA -0.252 4.088 4.340 -0.000 0.000 0.237 502 R C 2.430 178.733 176.300 0.005 0.000 1.137 502 R CA 2.340 58.423 56.100 -0.027 0.000 0.951 502 R CB -0.309 29.996 30.300 0.007 0.000 0.851 502 R HN 0.546 nan 8.270 nan 0.000 0.434 503 K N 0.326 120.749 120.400 0.037 0.000 2.002 503 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 503 K C 2.144 178.864 176.600 0.201 0.000 1.048 503 K CA 1.563 57.897 56.287 0.077 0.000 0.930 503 K CB -0.131 32.341 32.500 -0.046 0.000 0.714 503 K HN 0.220 nan 8.250 nan 0.000 0.438 504 L N 0.431 121.739 121.223 0.141 0.000 2.072 504 L HA -0.094 4.246 4.340 -0.000 0.000 0.205 504 L C 2.653 179.666 176.870 0.239 0.000 1.079 504 L CA 1.123 56.111 54.840 0.247 0.000 0.752 504 L CB -0.454 41.677 42.059 0.121 0.000 0.906 504 L HN 0.333 nan 8.230 nan 0.000 0.436 505 A N 0.092 122.911 122.820 -0.002 0.000 1.877 505 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 505 A C 2.067 179.599 177.584 -0.087 0.000 1.186 505 A CA 1.858 53.785 52.037 -0.183 0.000 0.620 505 A CB -0.603 18.038 19.000 -0.599 0.000 0.822 505 A HN 0.447 nan 8.150 nan 0.000 0.443 506 N N -1.552 117.136 118.700 -0.020 0.000 2.188 506 N HA -0.187 4.553 4.740 -0.000 0.000 0.184 506 N C 1.568 177.142 175.510 0.107 0.000 1.018 506 N CA 1.573 54.636 53.050 0.021 0.000 0.858 506 N CB -0.412 38.097 38.487 0.037 0.000 0.989 506 N HN 0.811 nan 8.380 nan 0.000 0.426 507 W N 2.776 124.066 121.300 -0.016 0.000 2.355 507 W HA -0.078 4.582 4.660 -0.000 0.000 0.309 507 W C 2.531 178.984 176.519 -0.109 0.000 1.206 507 W CA 1.280 58.578 57.345 -0.078 0.000 1.284 507 W CB -0.301 29.095 29.460 -0.106 0.000 1.145 507 W HN -0.079 nan 8.180 nan 0.000 0.502 508 R N 0.889 121.382 120.500 -0.011 0.000 2.091 508 R HA -0.204 4.135 4.340 -0.000 0.000 0.238 508 R C 2.244 178.476 176.300 -0.114 0.000 1.136 508 R CA 1.957 57.920 56.100 -0.229 0.000 0.959 508 R CB -0.428 29.878 30.300 0.009 0.000 0.856 508 R HN 0.151 nan 8.270 nan 0.000 0.437 509 K N -0.153 120.215 120.400 -0.054 0.000 2.127 509 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 509 K C 0.864 177.469 176.600 0.008 0.000 1.047 509 K CA 1.778 58.057 56.287 -0.013 0.000 0.927 509 K CB -0.073 32.396 32.500 -0.051 0.000 0.716 509 K HN 0.169 nan 8.250 nan 0.000 0.450 510 N N 0.290 118.905 118.700 -0.141 0.000 2.279 510 N HA 0.018 4.758 4.740 -0.000 0.000 0.226 510 N C -0.978 174.306 175.510 -0.377 0.000 1.126 510 N CA 0.163 53.098 53.050 -0.192 0.000 0.846 510 N CB 0.855 39.247 38.487 -0.157 0.000 1.050 510 N HN 0.001 nan 8.380 nan 0.000 0.502 511 Q N -0.255 119.214 119.800 -0.552 0.000 2.700 511 Q HA 0.301 4.641 4.340 -0.000 0.000 0.249 511 Q C -1.968 173.441 176.000 -0.984 0.000 1.033 511 Q CA -1.754 53.602 55.803 -0.745 0.000 0.804 511 Q CB 1.506 29.634 28.738 -1.017 0.000 1.164 511 Q HN 0.106 nan 8.270 nan 0.000 0.500 512 P HA -0.196 nan 4.420 nan 0.000 0.217 512 P C 1.515 178.543 177.300 -0.454 0.000 1.148 512 P CA 0.817 63.571 63.100 -0.577 0.000 0.834 512 P CB 0.439 31.998 31.700 -0.235 0.000 0.783 513 V N -0.748 118.943 119.914 -0.371 0.000 2.594 513 V HA -0.215 3.905 4.120 -0.000 0.000 0.253 513 V C 1.945 177.896 176.094 -0.238 0.000 1.069 513 V CA 1.634 63.789 62.300 -0.242 0.000 1.082 513 V CB -0.820 30.907 31.823 -0.159 0.000 0.680 513 V HN 0.022 nan 8.190 nan 0.000 0.469 514 I N -0.641 119.718 120.570 -0.352 0.000 2.500 514 I HA -0.157 4.013 4.170 -0.000 0.000 0.252 514 I C 2.223 178.281 176.117 -0.099 0.000 1.142 514 I CA 1.454 62.624 61.300 -0.216 0.000 1.451 514 I CB -0.452 37.404 38.000 -0.240 0.000 1.093 514 I HN 0.445 nan 8.210 nan 0.000 0.430 515 H N 1.035 120.025 119.070 -0.133 0.000 2.395 515 H HA -0.058 4.498 4.556 -0.000 0.000 0.299 515 H C 1.142 176.413 175.328 -0.095 0.000 1.070 515 H CA 1.380 57.365 56.048 -0.106 0.000 1.356 515 H CB -0.013 29.688 29.762 -0.102 0.000 1.401 515 H HN 0.479 nan 8.280 nan 0.000 0.524 516 N N -0.777 117.911 118.700 -0.020 0.000 2.039 516 N HA 0.080 4.820 4.740 -0.000 0.000 0.228 516 N C 0.485 175.935 175.510 -0.100 0.000 1.369 516 N CA 0.258 53.279 53.050 -0.048 0.000 0.806 516 N CB 0.020 38.489 38.487 -0.030 0.000 1.190 516 N HN 0.180 nan 8.380 nan 0.000 0.506 517 G N 0.466 109.187 108.800 -0.132 0.000 2.667 517 G HA2 0.310 4.270 3.960 -0.000 0.000 0.250 517 G HA3 0.310 4.270 3.960 -0.000 0.000 0.250 517 G C -0.029 174.725 174.900 -0.244 0.000 1.212 517 G CA -0.593 44.395 45.100 -0.186 0.000 0.874 517 G HN 0.182 nan 8.290 nan 0.000 0.561 518 R N -1.278 118.953 120.500 -0.449 0.000 2.649 518 R HA 0.398 4.738 4.340 -0.000 0.000 0.270 518 R C -0.699 175.380 176.300 -0.367 0.000 1.105 518 R CA -0.564 55.213 56.100 -0.538 0.000 1.193 518 R CB 0.737 30.457 30.300 -0.967 0.000 1.120 518 R HN 0.312 nan 8.270 nan 0.000 0.561 519 L N 1.473 122.603 121.223 -0.154 0.000 2.362 519 L HA 0.472 4.812 4.340 -0.000 0.000 0.275 519 L C -1.060 175.929 176.870 0.199 0.000 0.998 519 L CA -0.255 54.615 54.840 0.050 0.000 0.820 519 L CB 1.785 43.813 42.059 -0.051 0.000 1.270 519 L HN 0.610 nan 8.230 nan 0.000 0.415 520 M N 5.801 125.646 119.600 0.408 0.000 2.197 520 M HA 0.468 4.948 4.480 -0.000 0.000 0.301 520 M C -1.398 175.129 176.300 0.378 0.000 0.987 520 M CA -0.376 55.106 55.300 0.304 0.000 0.921 520 M CB 0.972 33.711 32.600 0.233 0.000 1.569 520 M HN 0.910 nan 8.290 nan 0.000 0.431 521 H N 1.949 121.163 119.070 0.239 0.000 2.651 521 H HA 0.673 5.229 4.556 -0.000 0.000 0.353 521 H C -1.802 173.656 175.328 0.218 0.000 1.178 521 H CA -1.056 55.223 56.048 0.384 0.000 1.224 521 H CB 1.477 31.583 29.762 0.574 0.000 1.702 521 H HN 0.545 nan 8.280 nan 0.000 0.550 522 F N 0.219 120.504 119.950 0.559 0.000 2.480 522 F HA 0.348 4.875 4.527 -0.000 0.000 0.329 522 F C 1.021 176.856 175.800 0.057 0.000 1.091 522 F CA -0.688 57.536 58.000 0.374 0.000 0.972 522 F CB 1.920 41.216 39.000 0.494 0.000 1.150 522 F HN 0.849 nan 8.300 nan 0.000 0.467 523 G N 3.175 111.833 108.800 -0.236 0.000 2.225 523 G HA2 0.261 4.221 3.960 -0.000 0.000 0.245 523 G HA3 0.261 4.221 3.960 -0.000 0.000 0.245 523 G C -2.723 172.003 174.900 -0.291 0.000 1.249 523 G CA -0.801 43.712 45.100 -0.979 0.000 0.919 523 G HN 0.260 nan 8.290 nan 0.000 0.486 524 P HA 0.133 nan 4.420 nan 0.000 0.268 524 P C -0.328 176.951 177.300 -0.035 0.000 1.205 524 P CA 0.309 63.376 63.100 -0.056 0.000 0.771 524 P CB 0.835 32.392 31.700 -0.239 0.000 0.858 525 E N 1.817 122.048 120.200 0.052 0.000 2.244 525 E HA 0.139 4.489 4.350 -0.000 0.000 0.260 525 E C -0.534 176.091 176.600 0.042 0.000 0.884 525 E CA -0.547 55.875 56.400 0.037 0.000 0.777 525 E CB 0.988 30.720 29.700 0.053 0.000 1.197 525 E HN 0.413 nan 8.360 nan 0.000 0.416 526 E N 2.505 122.718 120.200 0.022 0.000 2.360 526 E HA -0.294 4.056 4.350 -0.000 0.000 0.238 526 E C -0.335 176.282 176.600 0.029 0.000 1.186 526 E CA 0.087 56.500 56.400 0.022 0.000 0.719 526 E CB -1.022 28.694 29.700 0.026 0.000 1.236 526 E HN 0.639 nan 8.360 nan 0.000 0.386 527 N N -0.852 117.861 118.700 0.021 0.000 2.741 527 N HA -0.156 4.584 4.740 -0.000 0.000 0.250 527 N C -0.530 175.021 175.510 0.068 0.000 1.115 527 N CA 1.904 54.970 53.050 0.026 0.000 0.724 527 N CB -1.078 37.419 38.487 0.016 0.000 1.090 527 N HN 0.640 nan 8.380 nan 0.000 0.558 528 T N -3.286 111.326 114.554 0.096 0.000 2.895 528 T HA 0.614 4.964 4.350 -0.000 0.000 0.283 528 T C -0.614 174.245 174.700 0.265 0.000 1.014 528 T CA -0.639 61.547 62.100 0.144 0.000 1.037 528 T CB 2.302 71.239 68.868 0.115 0.000 1.006 528 T HN 0.271 nan 8.240 nan 0.000 0.468 529 W N 2.658 123.972 121.300 0.024 0.000 3.259 529 W HA 0.621 5.281 4.660 -0.000 0.000 0.331 529 W C -2.267 174.261 176.519 0.015 0.000 1.144 529 W CA -1.312 56.073 57.345 0.067 0.000 1.227 529 W CB 1.607 31.137 29.460 0.115 0.000 1.371 529 W HN 0.715 nan 8.180 nan 0.000 0.491 530 V N 7.733 127.568 119.914 -0.132 0.000 2.588 530 V HA 0.578 4.698 4.120 -0.000 0.000 0.304 530 V C -0.962 174.980 176.094 -0.253 0.000 1.042 530 V CA -0.813 61.215 62.300 -0.453 0.000 0.877 530 V CB 1.190 32.535 31.823 -0.796 0.000 0.996 530 V HN 0.380 nan 8.190 nan 0.000 0.425 531 Y N 2.568 122.571 120.300 -0.495 0.000 2.655 531 Y HA 0.892 5.442 4.550 -0.000 0.000 0.336 531 Y C -1.884 173.844 175.900 -0.286 0.000 1.154 531 Y CA -1.819 56.187 58.100 -0.156 0.000 1.055 531 Y CB 1.708 39.989 38.460 -0.298 0.000 1.295 531 Y HN 0.366 nan 8.280 nan 0.000 0.465 532 F N 1.400 121.541 119.950 0.318 0.000 2.569 532 F HA 0.647 5.174 4.527 -0.000 0.000 0.312 532 F C -0.457 175.549 175.800 0.343 0.000 1.109 532 F CA -1.067 57.079 58.000 0.244 0.000 0.919 532 F CB 2.036 41.170 39.000 0.224 0.000 1.211 532 F HN 0.324 nan 8.300 nan 0.000 0.446 533 R N 2.668 123.408 120.500 0.400 0.000 2.407 533 R HA 0.537 4.877 4.340 -0.000 0.000 0.303 533 R C -1.367 175.120 176.300 0.312 0.000 0.981 533 R CA -0.769 55.486 56.100 0.259 0.000 0.905 533 R CB 1.317 31.687 30.300 0.117 0.000 1.099 533 R HN 0.809 nan 8.270 nan 0.000 0.459 534 Y N -0.303 120.047 120.300 0.084 0.000 2.552 534 Y HA 0.589 5.139 4.550 -0.000 0.000 0.337 534 Y C -0.963 174.947 175.900 0.017 0.000 1.094 534 Y CA -1.362 56.775 58.100 0.061 0.000 1.028 534 Y CB 1.498 40.007 38.460 0.081 0.000 1.321 534 Y HN 0.689 nan 8.280 nan 0.000 0.456 535 N N 0.247 119.007 118.700 0.099 0.000 3.364 535 N HA 0.199 4.939 4.740 -0.000 0.000 0.294 535 N C -0.198 175.361 175.510 0.082 0.000 1.562 535 N CA -0.657 52.408 53.050 0.025 0.000 0.862 535 N CB 0.733 39.183 38.487 -0.060 0.000 1.691 535 N HN 0.774 nan 8.380 nan 0.000 0.572 536 K N -1.276 119.149 120.400 0.041 0.000 2.280 536 K HA -0.039 4.281 4.320 -0.000 0.000 0.202 536 K C -0.252 176.364 176.600 0.025 0.000 1.047 536 K CA 1.509 57.819 56.287 0.038 0.000 0.942 536 K CB -0.183 32.329 32.500 0.019 0.000 0.739 536 K HN 0.407 nan 8.250 nan 0.000 0.457 537 D N 0.622 121.028 120.400 0.010 0.000 2.277 537 D HA 0.040 4.680 4.640 -0.000 0.000 0.209 537 D C 0.182 176.485 176.300 0.005 0.000 0.970 537 D CA 0.780 54.778 54.000 -0.004 0.000 0.874 537 D CB 0.446 41.227 40.800 -0.031 0.000 0.982 537 D HN 0.185 nan 8.370 nan 0.000 0.504 538 K N -0.128 120.285 120.400 0.021 0.000 2.562 538 K HA 0.387 4.707 4.320 -0.000 0.000 0.267 538 K C -1.361 175.295 176.600 0.094 0.000 0.938 538 K CA -0.586 55.721 56.287 0.033 0.000 0.840 538 K CB 2.422 34.912 32.500 -0.016 0.000 1.390 538 K HN -0.257 nan 8.250 nan 0.000 0.428 539 R N 2.745 123.319 120.500 0.123 0.000 2.589 539 R HA 0.556 4.896 4.340 -0.000 0.000 0.293 539 R C -0.631 175.773 176.300 0.173 0.000 0.963 539 R CA -0.663 55.563 56.100 0.210 0.000 0.905 539 R CB 1.287 31.735 30.300 0.248 0.000 1.144 539 R HN 0.441 nan 8.270 nan 0.000 0.459 540 I N 3.453 124.134 120.570 0.184 0.000 2.410 540 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 540 I C -0.310 175.791 176.117 -0.027 0.000 1.009 540 I CA -0.511 60.850 61.300 0.101 0.000 1.111 540 I CB 1.893 39.968 38.000 0.125 0.000 1.262 540 I HN 0.445 nan 8.210 nan 0.000 0.443 541 M N 7.369 126.839 119.600 -0.218 0.000 2.209 541 M HA 0.544 5.024 4.480 -0.000 0.000 0.355 541 M C -1.571 174.354 176.300 -0.626 0.000 1.171 541 M CA -0.389 54.474 55.300 -0.727 0.000 1.069 541 M CB 1.371 33.533 32.600 -0.731 0.000 1.622 541 M HN 0.318 nan 8.290 nan 0.000 0.459 542 V N 4.545 123.912 119.914 -0.911 0.000 2.495 542 V HA 0.855 4.975 4.120 -0.000 0.000 0.298 542 V C -0.465 175.116 176.094 -0.856 0.000 1.031 542 V CA -0.664 61.111 62.300 -0.875 0.000 0.871 542 V CB 1.423 32.484 31.823 -1.269 0.000 0.988 542 V HN 0.951 nan 8.190 nan 0.000 0.432 543 A N 6.755 129.254 122.820 -0.534 0.000 2.398 543 A HA 0.974 5.294 4.320 -0.000 0.000 0.301 543 A C -0.696 176.763 177.584 -0.208 0.000 1.041 543 A CA -0.646 51.152 52.037 -0.398 0.000 0.711 543 A CB 1.733 20.512 19.000 -0.367 0.000 1.240 543 A HN 1.011 nan 8.150 nan 0.000 0.420 544 M N 1.260 120.806 119.600 -0.090 0.000 2.457 544 M HA 0.672 5.152 4.480 -0.000 0.000 0.300 544 M C -1.279 175.052 176.300 0.053 0.000 1.141 544 M CA -0.727 54.577 55.300 0.007 0.000 0.901 544 M CB 2.221 34.866 32.600 0.075 0.000 1.687 544 M HN 0.480 nan 8.290 nan 0.000 0.449 545 N N 2.350 121.074 118.700 0.039 0.000 2.696 545 N HA 0.244 4.984 4.740 -0.000 0.000 0.246 545 N C -1.517 174.022 175.510 0.049 0.000 1.057 545 N CA -0.238 52.840 53.050 0.046 0.000 0.867 545 N CB 0.774 39.278 38.487 0.029 0.000 1.141 545 N HN 0.846 nan 8.380 nan 0.000 0.517 546 N N 3.220 121.954 118.700 0.057 0.000 3.303 546 N HA 0.189 4.929 4.740 -0.000 0.000 0.304 546 N C -1.362 174.170 175.510 0.037 0.000 1.302 546 N CA -0.022 53.055 53.050 0.046 0.000 1.213 546 N CB -0.420 38.092 38.487 0.041 0.000 1.481 546 N HN 0.459 nan 8.380 nan 0.000 0.546 547 N N -0.112 118.611 118.700 0.038 0.000 2.396 547 N HA 0.064 4.804 4.740 -0.000 0.000 0.275 547 N C -0.845 174.686 175.510 0.034 0.000 1.218 547 N CA -0.422 52.647 53.050 0.033 0.000 0.812 547 N CB 1.558 40.063 38.487 0.031 0.000 1.592 547 N HN 0.308 nan 8.380 nan 0.000 0.480 548 D N -0.567 119.852 120.400 0.032 0.000 2.319 548 D HA -0.003 4.637 4.640 -0.000 0.000 0.230 548 D C -0.014 176.303 176.300 0.029 0.000 1.094 548 D CA 0.441 54.461 54.000 0.033 0.000 0.856 548 D CB 0.128 40.947 40.800 0.032 0.000 0.915 548 D HN 0.472 nan 8.370 nan 0.000 0.517 549 K N -0.529 119.887 120.400 0.027 0.000 2.340 549 K HA 0.601 4.921 4.320 -0.000 0.000 0.244 549 K C -3.079 173.536 176.600 0.024 0.000 0.973 549 K CA -2.150 54.151 56.287 0.024 0.000 0.828 549 K CB 1.940 34.453 32.500 0.021 0.000 1.226 549 K HN -0.262 nan 8.250 nan 0.000 0.437 550 P HA 0.113 nan 4.420 nan 0.000 0.272 550 P C -0.805 176.509 177.300 0.022 0.000 1.230 550 P CA -0.189 62.924 63.100 0.021 0.000 0.788 550 P CB 0.537 32.248 31.700 0.018 0.000 0.949 551 M N 0.996 120.610 119.600 0.024 0.000 2.457 551 M HA 0.316 4.796 4.480 -0.000 0.000 0.300 551 M C -0.456 175.861 176.300 0.029 0.000 1.141 551 M CA -0.222 55.095 55.300 0.029 0.000 0.901 551 M CB 2.026 34.647 32.600 0.036 0.000 1.687 551 M HN 0.164 nan 8.290 nan 0.000 0.449 552 T N 4.172 118.745 114.554 0.031 0.000 2.815 552 T HA 0.664 5.014 4.350 -0.000 0.000 0.289 552 T C -0.288 174.440 174.700 0.046 0.000 1.000 552 T CA -0.477 61.643 62.100 0.033 0.000 0.958 552 T CB 0.748 69.630 68.868 0.024 0.000 0.944 552 T HN 0.451 nan 8.240 nan 0.000 0.442 553 L N 5.508 126.774 121.223 0.071 0.000 2.276 553 L HA 0.401 4.741 4.340 -0.000 0.000 0.286 553 L C -2.346 174.584 176.870 0.100 0.000 1.024 553 L CA -2.458 52.450 54.840 0.113 0.000 0.826 553 L CB 1.107 43.302 42.059 0.226 0.000 1.211 553 L HN 0.266 nan 8.230 nan 0.000 0.422 554 P HA -0.009 nan 4.420 nan 0.000 0.264 554 P C 0.823 178.099 177.300 -0.041 0.000 1.193 554 P CA 0.057 63.147 63.100 -0.016 0.000 0.763 554 P CB 0.633 32.297 31.700 -0.060 0.000 0.810 555 T N -0.413 114.152 114.554 0.020 0.000 3.100 555 T HA 0.096 4.446 4.350 -0.000 0.000 0.253 555 T C 1.686 176.359 174.700 -0.046 0.000 1.118 555 T CA 0.529 62.683 62.100 0.091 0.000 1.058 555 T CB -0.491 68.467 68.868 0.150 0.000 0.953 555 T HN 0.276 nan 8.240 nan 0.000 0.515 556 A N 2.551 125.308 122.820 -0.106 0.000 1.948 556 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 556 A C 2.465 179.923 177.584 -0.210 0.000 1.177 556 A CA 1.839 53.806 52.037 -0.117 0.000 0.636 556 A CB -0.867 18.075 19.000 -0.096 0.000 0.815 556 A HN 0.542 nan 8.150 nan 0.000 0.449 557 R N -1.580 118.655 120.500 -0.441 0.000 2.139 557 R HA -0.159 4.181 4.340 -0.000 0.000 0.243 557 R C 0.570 176.506 176.300 -0.607 0.000 1.145 557 R CA 1.859 57.573 56.100 -0.643 0.000 0.976 557 R CB -0.262 29.353 30.300 -1.141 0.000 0.866 557 R HN 0.512 nan 8.270 nan 0.000 0.449 558 F N 0.137 119.946 119.950 -0.235 0.000 2.641 558 F HA 0.235 4.762 4.527 -0.000 0.000 0.302 558 F C 1.594 177.309 175.800 -0.143 0.000 1.098 558 F CA -0.391 57.381 58.000 -0.380 0.000 1.318 558 F CB 0.322 39.078 39.000 -0.408 0.000 1.035 558 F HN -0.123 nan 8.300 nan 0.000 0.551 559 Q N 1.208 121.025 119.800 0.030 0.000 2.291 559 Q HA -0.192 4.148 4.340 -0.000 0.000 0.206 559 Q C 2.008 177.997 176.000 -0.017 0.000 0.976 559 Q CA 1.417 57.224 55.803 0.007 0.000 0.875 559 Q CB -0.390 28.344 28.738 -0.007 0.000 0.927 559 Q HN 0.676 nan 8.270 nan 0.000 0.450 560 E N -0.997 119.216 120.200 0.022 0.000 2.265 560 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 560 E C 1.485 177.984 176.600 -0.169 0.000 0.996 560 E CA 0.749 57.128 56.400 -0.034 0.000 0.832 560 E CB 0.033 29.741 29.700 0.014 0.000 0.756 560 E HN 0.192 nan 8.360 nan 0.000 0.491 561 M N 0.115 119.559 119.600 -0.260 0.000 2.657 561 M HA 0.192 4.672 4.480 -0.000 0.000 0.262 561 M C 2.167 178.186 176.300 -0.468 0.000 1.213 561 M CA 0.459 55.380 55.300 -0.631 0.000 1.182 561 M CB -0.017 31.687 32.600 -1.493 0.000 1.303 561 M HN 0.169 nan 8.290 nan 0.000 0.501 562 L N 0.101 121.174 121.223 -0.249 0.000 2.162 562 L HA -0.031 4.309 4.340 -0.000 0.000 0.205 562 L C 0.534 177.382 176.870 -0.036 0.000 1.086 562 L CA 0.269 55.073 54.840 -0.060 0.000 0.778 562 L CB -0.115 41.977 42.059 0.054 0.000 0.928 562 L HN 0.214 nan 8.230 nan 0.000 0.446 563 K N 0.878 121.249 120.400 -0.047 0.000 3.278 563 K HA -0.239 4.081 4.320 -0.000 0.000 0.270 563 K C 0.933 177.528 176.600 -0.009 0.000 0.955 563 K CA 0.784 57.053 56.287 -0.031 0.000 0.723 563 K CB -2.174 30.300 32.500 -0.043 0.000 1.382 563 K HN 0.668 nan 8.250 nan 0.000 0.461 564 G N -1.438 107.364 108.800 0.002 0.000 2.179 564 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 564 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 564 G C 0.329 175.240 174.900 0.017 0.000 0.977 564 G CA 0.677 45.783 45.100 0.010 0.000 0.641 564 G HN 1.097 nan 8.290 nan 0.000 0.533 565 A N 0.905 123.739 122.820 0.024 0.000 2.561 565 A HA 0.504 4.824 4.320 -0.000 0.000 0.251 565 A C 0.175 177.778 177.584 0.031 0.000 1.062 565 A CA 0.367 52.423 52.037 0.031 0.000 0.761 565 A CB 0.413 19.441 19.000 0.047 0.000 0.986 565 A HN 0.250 nan 8.150 nan 0.000 0.510 566 P HA 0.009 nan 4.420 nan 0.000 0.227 566 P C 0.230 177.542 177.300 0.021 0.000 1.161 566 P CA 1.328 64.441 63.100 0.021 0.000 0.788 566 P CB 0.093 31.803 31.700 0.016 0.000 0.822 567 S N -2.889 112.825 115.700 0.022 0.000 2.643 567 S HA 0.678 5.148 4.470 -0.000 0.000 0.266 567 S C -0.699 173.913 174.600 0.020 0.000 1.130 567 S CA -0.298 57.913 58.200 0.017 0.000 0.817 567 S CB 1.264 64.472 63.200 0.013 0.000 1.107 567 S HN 0.296 nan 8.310 nan 0.000 0.471 568 G N -0.546 108.262 108.800 0.012 0.000 2.649 568 G HA2 0.617 4.577 3.960 -0.000 0.000 0.290 568 G HA3 0.617 4.577 3.960 -0.000 0.000 0.290 568 G C -1.824 173.081 174.900 0.008 0.000 1.426 568 G CA -0.550 44.558 45.100 0.015 0.000 0.794 568 G HN 1.163 nan 8.290 nan 0.000 0.483 569 V N 0.870 120.795 119.914 0.018 0.000 2.427 569 V HA 0.334 4.454 4.120 -0.000 0.000 0.286 569 V C -0.335 175.767 176.094 0.015 0.000 1.034 569 V CA -0.542 61.768 62.300 0.017 0.000 0.893 569 V CB 1.533 33.376 31.823 0.034 0.000 0.982 569 V HN 0.788 nan 8.190 nan 0.000 0.452 570 D N 3.086 123.481 120.400 -0.010 0.000 2.346 570 D HA 0.018 4.658 4.640 -0.000 0.000 0.260 570 D C 0.740 177.032 176.300 -0.014 0.000 1.252 570 D CA -0.128 53.855 54.000 -0.028 0.000 0.895 570 D CB 0.503 41.268 40.800 -0.057 0.000 1.097 570 D HN 0.395 nan 8.370 nan 0.000 0.489 571 F N 4.321 124.163 119.950 -0.181 0.000 2.154 571 F HA -0.188 4.339 4.527 -0.000 0.000 0.301 571 F C 1.269 176.924 175.800 -0.241 0.000 1.087 571 F CA 1.433 59.282 58.000 -0.252 0.000 1.274 571 F CB -0.083 38.636 39.000 -0.469 0.000 1.009 571 F HN 0.468 nan 8.300 nan 0.000 0.485 572 L N -0.455 120.565 121.223 -0.339 0.000 1.993 572 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 572 L C 2.692 179.393 176.870 -0.282 0.000 1.074 572 L CA 1.699 56.309 54.840 -0.383 0.000 0.746 572 L CB -1.266 40.667 42.059 -0.210 0.000 0.896 572 L HN 0.253 nan 8.230 nan 0.000 0.435 573 S N -0.720 114.881 115.700 -0.164 0.000 2.496 573 S HA 0.074 4.544 4.470 -0.000 0.000 0.224 573 S C 1.638 176.176 174.600 -0.103 0.000 0.996 573 S CA 0.479 58.616 58.200 -0.105 0.000 0.927 573 S CB 0.260 63.425 63.200 -0.059 0.000 0.774 573 S HN 0.613 nan 8.310 nan 0.000 0.524 574 G N 2.243 110.972 108.800 -0.118 0.000 2.168 574 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.263 574 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.263 574 G C -0.010 174.867 174.900 -0.038 0.000 0.977 574 G CA 0.591 45.647 45.100 -0.074 0.000 0.659 574 G HN 0.992 nan 8.290 nan 0.000 0.533 575 K N 0.134 120.511 120.400 -0.038 0.000 2.202 575 K HA 0.545 4.865 4.320 -0.000 0.000 0.264 575 K C 0.259 176.850 176.600 -0.016 0.000 1.010 575 K CA 0.126 56.399 56.287 -0.023 0.000 0.940 575 K CB 0.990 33.476 32.500 -0.023 0.000 0.983 575 K HN 0.154 nan 8.250 nan 0.000 0.475 576 T N 1.076 115.625 114.554 -0.009 0.000 2.907 576 T HA 0.234 4.584 4.350 -0.000 0.000 0.298 576 T C -0.760 173.934 174.700 -0.010 0.000 1.017 576 T CA -0.659 61.438 62.100 -0.005 0.000 1.118 576 T CB 0.412 69.281 68.868 0.001 0.000 0.948 576 T HN 0.369 nan 8.240 nan 0.000 0.531 577 V N 4.773 124.680 119.914 -0.011 0.000 2.443 577 V HA 0.578 4.698 4.120 -0.000 0.000 0.293 577 V C 0.985 177.075 176.094 -0.008 0.000 1.021 577 V CA -0.967 61.324 62.300 -0.016 0.000 0.848 577 V CB 1.425 33.227 31.823 -0.034 0.000 0.998 577 V HN 1.132 nan 8.190 nan 0.000 0.424 578 G N 3.531 112.330 108.800 -0.003 0.000 2.398 578 G HA2 0.435 4.395 3.960 -0.000 0.000 0.246 578 G HA3 0.435 4.395 3.960 -0.000 0.000 0.246 578 G C 0.267 175.173 174.900 0.010 0.000 1.289 578 G CA -0.066 45.037 45.100 0.005 0.000 0.869 578 G HN 0.745 nan 8.290 nan 0.000 0.543 579 L N 2.295 123.530 121.223 0.019 0.000 3.217 579 L HA 0.211 4.551 4.340 -0.000 0.000 0.288 579 L C 2.500 179.395 176.870 0.041 0.000 1.202 579 L CA 0.334 55.194 54.840 0.034 0.000 1.027 579 L CB 0.588 42.670 42.059 0.039 0.000 1.427 579 L HN 0.719 nan 8.230 nan 0.000 0.600 580 G N 0.751 109.568 108.800 0.029 0.000 2.459 580 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 580 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 580 G C 1.712 176.626 174.900 0.024 0.000 1.183 580 G CA 0.882 45.997 45.100 0.024 0.000 0.776 580 G HN 0.258 nan 8.290 nan 0.000 0.552 581 R N -0.748 119.765 120.500 0.023 0.000 2.470 581 R HA 0.257 4.597 4.340 -0.000 0.000 0.210 581 R C 0.039 176.353 176.300 0.023 0.000 0.873 581 R CA 0.451 56.561 56.100 0.016 0.000 1.015 581 R CB 0.696 31.002 30.300 0.010 0.000 1.348 581 R HN 0.573 nan 8.270 nan 0.000 0.650 582 E N 0.547 120.766 120.200 0.031 0.000 2.366 582 E HA 0.267 4.617 4.350 -0.000 0.000 0.278 582 E C -1.617 175.010 176.600 0.045 0.000 0.923 582 E CA -0.948 55.476 56.400 0.040 0.000 0.761 582 E CB 1.819 31.535 29.700 0.026 0.000 1.231 582 E HN -0.117 nan 8.360 nan 0.000 0.443 583 L N 2.208 123.468 121.223 0.061 0.000 2.276 583 L HA 0.438 4.777 4.340 -0.000 0.000 0.286 583 L C -0.829 176.056 176.870 0.024 0.000 1.024 583 L CA -0.428 54.433 54.840 0.035 0.000 0.826 583 L CB 0.840 42.917 42.059 0.029 0.000 1.211 583 L HN 0.529 nan 8.230 nan 0.000 0.422 584 R N 6.513 127.019 120.500 0.010 0.000 2.202 584 R HA 0.504 4.844 4.340 -0.000 0.000 0.334 584 R C -1.192 175.107 176.300 -0.001 0.000 1.036 584 R CA -0.557 55.548 56.100 0.009 0.000 0.878 584 R CB 0.729 31.034 30.300 0.008 0.000 1.067 584 R HN 0.606 nan 8.270 nan 0.000 0.457 585 L N 2.684 123.908 121.223 0.003 0.000 2.296 585 L HA 0.457 4.797 4.340 -0.000 0.000 0.286 585 L C 0.567 177.442 176.870 0.007 0.000 1.023 585 L CA -0.800 54.039 54.840 -0.003 0.000 0.812 585 L CB 1.766 43.822 42.059 -0.005 0.000 1.223 585 L HN 0.665 nan 8.230 nan 0.000 0.421 586 A N 5.163 127.987 122.820 0.007 0.000 2.448 586 A HA 0.427 4.747 4.320 -0.000 0.000 0.239 586 A C -2.299 175.299 177.584 0.022 0.000 1.080 586 A CA -1.006 51.040 52.037 0.015 0.000 0.779 586 A CB -0.495 18.515 19.000 0.016 0.000 1.026 586 A HN 0.455 nan 8.150 nan 0.000 0.499 587 P HA 0.041 nan 4.420 nan 0.000 0.263 587 P C -0.355 176.970 177.300 0.042 0.000 1.175 587 P CA 0.622 63.743 63.100 0.034 0.000 0.761 587 P CB 0.078 31.800 31.700 0.036 0.000 0.794 588 K N -0.925 119.501 120.400 0.044 0.000 3.016 588 K HA -0.182 4.138 4.320 -0.000 0.000 0.262 588 K C 0.279 176.908 176.600 0.048 0.000 1.043 588 K CA 0.551 56.870 56.287 0.053 0.000 0.761 588 K CB -1.839 30.704 32.500 0.071 0.000 1.230 588 K HN 0.481 nan 8.250 nan 0.000 0.485 589 S N 0.333 116.052 115.700 0.031 0.000 2.616 589 S HA 0.569 5.039 4.470 -0.000 0.000 0.277 589 S C -0.498 174.099 174.600 -0.005 0.000 1.234 589 S CA -0.510 57.698 58.200 0.014 0.000 1.028 589 S CB 1.848 65.049 63.200 0.001 0.000 0.988 589 S HN 0.280 nan 8.310 nan 0.000 0.522 590 V N 5.362 125.262 119.914 -0.024 0.000 2.638 590 V HA 0.791 4.911 4.120 -0.000 0.000 0.306 590 V C -0.795 175.247 176.094 -0.087 0.000 1.052 590 V CA -0.376 61.889 62.300 -0.058 0.000 0.885 590 V CB 1.733 33.529 31.823 -0.045 0.000 0.999 590 V HN 0.958 nan 8.190 nan 0.000 0.424 591 V N 4.488 124.326 119.914 -0.127 0.000 2.815 591 V HA 0.893 5.013 4.120 -0.000 0.000 0.314 591 V C -0.858 175.127 176.094 -0.182 0.000 1.064 591 V CA -0.660 61.558 62.300 -0.137 0.000 0.952 591 V CB 1.896 33.644 31.823 -0.125 0.000 1.020 591 V HN 0.673 nan 8.190 nan 0.000 0.439 592 V N 4.691 124.515 119.914 -0.150 0.000 2.447 592 V HA 0.533 4.653 4.120 -0.000 0.000 0.292 592 V C -0.486 175.555 176.094 -0.089 0.000 1.021 592 V CA -0.110 62.098 62.300 -0.153 0.000 0.850 592 V CB 1.268 32.991 31.823 -0.168 0.000 1.005 592 V HN 0.824 nan 8.190 nan 0.000 0.426 593 I N 3.826 124.336 120.570 -0.100 0.000 2.389 593 I HA 0.458 4.628 4.170 -0.000 0.000 0.288 593 I C 0.041 176.163 176.117 0.008 0.000 0.999 593 I CA -0.372 60.902 61.300 -0.043 0.000 1.129 593 I CB 2.024 39.979 38.000 -0.075 0.000 1.288 593 I HN 0.596 nan 8.210 nan 0.000 0.444 594 E N 7.288 127.520 120.200 0.052 0.000 2.197 594 E HA 0.662 5.012 4.350 -0.000 0.000 0.281 594 E C -1.509 175.131 176.600 0.066 0.000 0.995 594 E CA -0.454 55.992 56.400 0.077 0.000 0.808 594 E CB 1.224 30.980 29.700 0.093 0.000 1.093 594 E HN 0.493 nan 8.360 nan 0.000 0.394 595 L N 4.757 126.025 121.223 0.076 0.000 2.376 595 L HA 0.531 4.871 4.340 -0.000 0.000 0.258 595 L C -2.356 174.551 176.870 0.061 0.000 1.013 595 L CA -2.518 52.364 54.840 0.071 0.000 0.822 595 L CB 2.247 44.363 42.059 0.095 0.000 1.388 595 L HN 0.519 nan 8.230 nan 0.000 0.413 596 P HA 0.122 nan 4.420 nan 0.000 0.272 596 P C -0.194 177.132 177.300 0.043 0.000 1.240 596 P CA -0.268 62.853 63.100 0.036 0.000 0.791 596 P CB 0.428 32.144 31.700 0.026 0.000 0.978 597 G N 1.103 109.926 108.800 0.038 0.000 2.614 597 G HA2 0.240 4.200 3.960 -0.000 0.000 0.239 597 G HA3 0.240 4.200 3.960 -0.000 0.000 0.239 597 G C -0.513 174.410 174.900 0.038 0.000 1.240 597 G CA -0.239 44.890 45.100 0.049 0.000 0.842 597 G HN 0.344 nan 8.290 nan 0.000 0.584 598 L N 1.783 123.030 121.223 0.041 0.000 2.436 598 L HA 0.351 4.691 4.340 -0.000 0.000 0.265 598 L C -1.183 175.698 176.870 0.019 0.000 1.168 598 L CA -1.427 53.421 54.840 0.014 0.000 0.815 598 L CB 0.391 42.443 42.059 -0.013 0.000 1.109 598 L HN 0.392 nan 8.230 nan 0.000 0.462 599 P HA 0.000 nan 4.420 nan 0.000 0.216 599 P CA 0.000 63.106 63.100 0.009 0.000 0.800 599 P CB 0.000 31.702 31.700 0.004 0.000 0.726