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 3edd_1_B DATA FIRST_RESID 3 DATA SEQUENCE PTAIEHMEPP FWWAGMQHKG LQLMVHGRDI GRMEAALDYP GVRLVSTTRV 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 0.000 177.227 177.300 -0.122 0.000 1.155 3 P CA 0.000 63.040 63.100 -0.100 0.000 0.800 3 P CB 0.000 31.664 31.700 -0.059 0.000 0.726 4 T N -2.068 112.384 114.554 -0.170 0.000 2.604 4 T HA 0.776 5.126 4.350 0.000 0.000 0.267 4 T C 1.094 175.681 174.700 -0.188 0.000 0.923 4 T CA 0.083 62.089 62.100 -0.155 0.000 1.077 4 T CB 1.120 69.903 68.868 -0.142 0.000 1.392 4 T HN 0.271 nan 8.240 nan 0.000 0.531 5 A N 0.444 123.169 122.820 -0.158 0.000 1.841 5 A HA 0.278 4.598 4.320 0.000 0.000 0.216 5 A C 1.200 178.640 177.584 -0.240 0.000 1.199 5 A CA 1.049 52.986 52.037 -0.166 0.000 0.621 5 A CB -1.083 17.852 19.000 -0.108 0.000 0.835 5 A HN 0.738 nan 8.150 nan 0.000 0.445 6 I N -0.242 120.196 120.570 -0.220 0.000 2.388 6 I HA 0.193 4.363 4.170 0.000 0.000 0.281 6 I C 0.788 176.731 176.117 -0.291 0.000 1.046 6 I CA -0.108 61.026 61.300 -0.276 0.000 1.187 6 I CB 1.541 39.423 38.000 -0.198 0.000 1.351 6 I HN 0.480 nan 8.210 nan 0.000 0.472 7 E N 4.603 124.561 120.200 -0.403 0.000 2.072 7 E HA -0.023 4.327 4.350 0.000 0.000 0.190 7 E C 0.043 176.237 176.600 -0.676 0.000 0.982 7 E CA 1.515 57.624 56.400 -0.485 0.000 0.803 7 E CB 0.388 29.802 29.700 -0.476 0.000 0.755 7 E HN 0.455 nan 8.360 nan 0.000 0.453 8 H N -0.744 118.169 119.070 -0.262 0.000 2.856 8 H HA 0.367 4.923 4.556 0.000 0.000 0.355 8 H C -1.342 173.858 175.328 -0.213 0.000 1.079 8 H CA -0.790 55.109 56.048 -0.249 0.000 1.240 8 H CB 1.513 31.073 29.762 -0.336 0.000 1.701 8 H HN 0.108 nan 8.280 nan 0.000 0.527 9 M N 3.037 122.542 119.600 -0.158 0.000 2.093 9 M HA 0.307 4.787 4.480 0.000 0.000 0.297 9 M C -1.405 174.741 176.300 -0.256 0.000 0.938 9 M CA 0.001 55.126 55.300 -0.290 0.000 0.920 9 M CB 0.994 33.139 32.600 -0.758 0.000 1.517 9 M HN 0.476 nan 8.290 nan 0.000 0.427 10 E N 6.560 126.652 120.200 -0.180 0.000 2.246 10 E HA 0.491 4.841 4.350 0.000 0.000 0.266 10 E C -2.687 173.797 176.600 -0.194 0.000 0.880 10 E CA -2.065 54.107 56.400 -0.381 0.000 0.762 10 E CB 1.892 31.473 29.700 -0.198 0.000 1.180 10 E HN 0.448 nan 8.360 nan 0.000 0.416 11 P HA 0.012 nan 4.420 nan 0.000 0.269 11 P C -2.106 174.933 177.300 -0.435 0.000 1.215 11 P CA -1.113 61.613 63.100 -0.624 0.000 0.780 11 P CB 0.600 32.265 31.700 -0.058 0.000 0.898 12 P HA -0.017 nan 4.420 nan 0.000 0.222 12 P C 0.070 177.186 177.300 -0.307 0.000 1.153 12 P CA 1.336 64.228 63.100 -0.347 0.000 0.798 12 P CB -0.038 31.464 31.700 -0.329 0.000 0.796 13 F N -4.542 115.243 119.950 -0.275 0.000 2.745 13 F HA 0.725 5.252 4.527 0.000 0.000 0.316 13 F C -0.938 174.889 175.800 0.045 0.000 1.155 13 F CA -1.645 56.033 58.000 -0.537 0.000 0.937 13 F CB 0.706 39.428 39.000 -0.462 0.000 1.361 13 F HN -0.155 nan 8.300 nan 0.000 0.472 14 W N 0.604 121.874 121.300 -0.050 0.000 3.098 14 W HA 0.492 5.153 4.660 0.001 0.000 0.367 14 W C -1.933 174.472 176.519 -0.189 0.000 1.163 14 W CA -1.051 56.328 57.345 0.056 0.000 1.113 14 W CB 2.031 31.755 29.460 0.441 0.000 1.501 14 W HN 0.544 nan 8.180 nan 0.000 0.598 15 W N 1.422 122.659 121.300 -0.105 0.000 2.706 15 W HA 0.581 5.241 4.660 0.000 0.000 0.346 15 W C -0.288 176.311 176.519 0.133 0.000 1.071 15 W CA -0.786 56.540 57.345 -0.032 0.000 1.206 15 W CB 1.560 30.897 29.460 -0.205 0.000 1.413 15 W HN 0.342 nan 8.180 nan 0.000 0.542 16 A N 0.671 123.702 122.820 0.352 0.000 2.327 16 A HA 0.615 4.935 4.320 0.000 0.000 0.283 16 A C 0.728 178.454 177.584 0.236 0.000 1.127 16 A CA 0.497 52.713 52.037 0.298 0.000 0.810 16 A CB 0.257 19.410 19.000 0.254 0.000 1.066 16 A HN 1.418 nan 8.150 nan 0.000 0.492 17 G N 1.264 110.186 108.800 0.204 0.000 2.212 17 G HA2 -0.152 3.808 3.960 0.000 0.000 0.255 17 G HA3 -0.152 3.808 3.960 0.000 0.000 0.255 17 G C 0.111 175.076 174.900 0.108 0.000 1.062 17 G CA 0.282 45.464 45.100 0.137 0.000 0.815 17 G HN 0.553 nan 8.290 nan 0.000 0.497 18 M N -0.797 118.896 119.600 0.155 0.000 2.197 18 M HA 0.345 4.825 4.480 0.000 0.000 0.305 18 M C 1.483 177.842 176.300 0.098 0.000 1.162 18 M CA -0.341 55.026 55.300 0.112 0.000 1.099 18 M CB 0.782 33.521 32.600 0.230 0.000 1.430 18 M HN 0.245 nan 8.290 nan 0.000 0.481 19 Q N 1.032 120.862 119.800 0.050 0.000 1.969 19 Q HA -0.089 4.251 4.340 0.000 0.000 0.198 19 Q C 0.278 176.342 176.000 0.108 0.000 0.978 19 Q CA 1.709 57.539 55.803 0.044 0.000 0.830 19 Q CB -0.273 28.455 28.738 -0.016 0.000 0.896 19 Q HN 0.649 nan 8.270 nan 0.000 0.431 20 H N 0.492 119.607 119.070 0.074 0.000 3.015 20 H HA 0.142 4.698 4.556 0.000 0.000 0.268 20 H C 0.351 175.776 175.328 0.162 0.000 1.113 20 H CA -0.085 56.023 56.048 0.100 0.000 1.479 20 H CB 0.616 30.440 29.762 0.103 0.000 1.493 20 H HN 0.092 nan 8.280 nan 0.000 0.486 21 K N 3.016 123.384 120.400 -0.054 0.000 2.147 21 K HA 0.031 4.351 4.320 0.000 0.000 0.205 21 K C 1.150 177.796 176.600 0.077 0.000 1.049 21 K CA 0.879 57.194 56.287 0.046 0.000 0.936 21 K CB 0.144 32.636 32.500 -0.013 0.000 0.722 21 K HN 0.712 nan 8.250 nan 0.000 0.446 22 G N 0.618 109.388 108.800 -0.049 0.000 2.491 22 G HA2 0.358 4.318 3.960 0.000 0.000 0.242 22 G HA3 0.358 4.318 3.960 0.000 0.000 0.242 22 G C -1.117 173.895 174.900 0.185 0.000 1.266 22 G CA -0.283 44.872 45.100 0.091 0.000 0.844 22 G HN 0.134 nan 8.290 nan 0.000 0.571 23 L N 0.552 121.784 121.223 0.015 0.000 2.470 23 L HA 0.460 4.800 4.340 0.000 0.000 0.268 23 L C -0.528 176.274 176.870 -0.113 0.000 0.964 23 L CA -0.567 54.164 54.840 -0.181 0.000 0.839 23 L CB 2.314 44.126 42.059 -0.412 0.000 1.276 23 L HN 0.576 nan 8.230 nan 0.000 0.403 24 Q N 4.945 124.694 119.800 -0.085 0.000 2.347 24 Q HA 0.540 4.880 4.340 0.000 0.000 0.262 24 Q C -1.592 174.422 176.000 0.023 0.000 0.980 24 Q CA -0.595 55.221 55.803 0.022 0.000 0.867 24 Q CB 1.172 29.977 28.738 0.112 0.000 1.242 24 Q HN 0.748 nan 8.270 nan 0.000 0.453 25 L N 4.506 125.735 121.223 0.010 0.000 2.276 25 L HA 0.401 4.741 4.340 0.000 0.000 0.286 25 L C 0.090 176.988 176.870 0.047 0.000 1.061 25 L CA -0.263 54.571 54.840 -0.010 0.000 0.807 25 L CB 1.119 43.117 42.059 -0.102 0.000 1.177 25 L HN 0.610 nan 8.230 nan 0.000 0.429 26 M N 5.150 124.790 119.600 0.066 0.000 2.206 26 M HA 0.323 4.803 4.480 0.000 0.000 0.353 26 M C -1.136 175.118 176.300 -0.076 0.000 1.242 26 M CA -0.540 54.723 55.300 -0.061 0.000 1.179 26 M CB 0.575 33.305 32.600 0.215 0.000 1.374 26 M HN 0.298 nan 8.290 nan 0.000 0.427 27 V N 4.926 124.724 119.914 -0.195 0.000 2.407 27 V HA 0.329 4.450 4.120 0.000 0.000 0.278 27 V C -0.069 175.934 176.094 -0.152 0.000 1.037 27 V CA -0.607 61.582 62.300 -0.185 0.000 0.900 27 V CB 1.062 32.724 31.823 -0.269 0.000 0.983 27 V HN 0.714 nan 8.190 nan 0.000 0.459 28 H N 3.160 122.095 119.070 -0.225 0.000 2.529 28 H HA 0.759 5.315 4.556 0.000 0.000 0.348 28 H C -0.241 174.877 175.328 -0.350 0.000 1.079 28 H CA 0.075 55.923 56.048 -0.333 0.000 1.198 28 H CB 2.091 31.806 29.762 -0.079 0.000 1.521 28 H HN 0.912 nan 8.280 nan 0.000 0.514 29 G N 4.014 112.296 108.800 -0.863 0.000 2.404 29 G HA2 0.062 4.022 3.960 0.000 0.000 0.298 29 G HA3 0.062 4.022 3.960 0.000 0.000 0.298 29 G C -1.387 173.221 174.900 -0.487 0.000 1.577 29 G CA -1.099 43.587 45.100 -0.690 0.000 0.847 29 G HN 0.678 nan 8.290 nan 0.000 0.598 30 R N 1.092 121.375 120.500 -0.362 0.000 2.483 30 R HA 0.181 4.521 4.340 0.000 0.000 0.329 30 R C 0.026 176.219 176.300 -0.178 0.000 0.961 30 R CA 0.938 56.903 56.100 -0.225 0.000 1.041 30 R CB -0.081 30.122 30.300 -0.162 0.000 0.930 30 R HN 0.591 nan 8.270 nan 0.000 0.413 31 D N 2.821 123.137 120.400 -0.139 0.000 3.059 31 D HA -0.263 4.378 4.640 0.000 0.000 0.220 31 D C 0.797 177.031 176.300 -0.110 0.000 1.169 31 D CA 1.119 55.063 54.000 -0.093 0.000 0.902 31 D CB -0.828 39.935 40.800 -0.062 0.000 1.116 31 D HN 0.579 nan 8.370 nan 0.000 0.417 32 I N 0.300 120.758 120.570 -0.186 0.000 2.567 32 I HA -0.071 4.099 4.170 0.000 0.000 0.257 32 I C 2.322 178.360 176.117 -0.131 0.000 1.184 32 I CA 2.033 63.194 61.300 -0.232 0.000 1.451 32 I CB -0.037 37.721 38.000 -0.403 0.000 1.089 32 I HN 0.201 nan 8.210 nan 0.000 0.441 33 G N -0.301 108.456 108.800 -0.073 0.000 2.534 33 G HA2 -0.151 3.809 3.960 0.000 0.000 0.217 33 G HA3 -0.151 3.809 3.960 0.000 0.000 0.217 33 G C 1.577 176.497 174.900 0.034 0.000 1.128 33 G CA -0.002 45.105 45.100 0.011 0.000 0.784 33 G HN 0.342 nan 8.290 nan 0.000 0.542 34 R N -0.436 120.072 120.500 0.013 0.000 2.449 34 R HA 0.377 4.717 4.340 0.000 0.000 0.262 34 R C 0.060 176.381 176.300 0.035 0.000 1.006 34 R CA -0.036 56.079 56.100 0.025 0.000 1.104 34 R CB 0.102 30.410 30.300 0.013 0.000 1.206 34 R HN 0.321 nan 8.270 nan 0.000 0.538 35 M N -0.080 119.552 119.600 0.053 0.000 2.662 35 M HA 0.266 4.746 4.480 0.000 0.000 0.310 35 M C -0.404 175.977 176.300 0.135 0.000 1.204 35 M CA -0.703 54.651 55.300 0.091 0.000 0.891 35 M CB 2.685 35.349 32.600 0.107 0.000 1.732 35 M HN -0.089 nan 8.290 nan 0.000 0.467 36 E N 1.193 121.468 120.200 0.126 0.000 2.216 36 E HA 0.631 4.981 4.350 0.000 0.000 0.279 36 E C -1.467 175.191 176.600 0.097 0.000 0.997 36 E CA -0.426 56.034 56.400 0.101 0.000 0.817 36 E CB 1.596 31.329 29.700 0.055 0.000 1.096 36 E HN 0.750 nan 8.360 nan 0.000 0.393 37 A N 2.686 125.534 122.820 0.046 0.000 2.312 37 A HA 0.780 5.100 4.320 0.000 0.000 0.326 37 A C -0.958 176.553 177.584 -0.122 0.000 1.172 37 A CA -0.075 51.883 52.037 -0.131 0.000 0.821 37 A CB 1.367 20.305 19.000 -0.103 0.000 1.166 37 A HN 0.635 nan 8.150 nan 0.000 0.493 38 A N 1.134 123.842 122.820 -0.186 0.000 2.574 38 A HA 0.753 5.073 4.320 0.000 0.000 0.297 38 A C -1.152 176.375 177.584 -0.095 0.000 1.062 38 A CA -0.412 51.563 52.037 -0.103 0.000 0.686 38 A CB 1.068 20.030 19.000 -0.062 0.000 1.285 38 A HN 2.136 nan 8.150 nan 0.000 0.403 39 L N -1.407 119.786 121.223 -0.050 0.000 2.469 39 L HA 0.961 5.301 4.340 0.000 0.000 0.256 39 L C -1.255 175.601 176.870 -0.024 0.000 1.006 39 L CA -0.535 54.301 54.840 -0.007 0.000 0.832 39 L CB 2.207 44.272 42.059 0.010 0.000 1.421 39 L HN 0.416 nan 8.230 nan 0.000 0.410 40 D N 0.663 121.073 120.400 0.017 0.000 2.389 40 D HA 0.481 5.122 4.640 0.000 0.000 0.256 40 D C -2.100 174.242 176.300 0.070 0.000 1.239 40 D CA 0.187 54.196 54.000 0.015 0.000 0.925 40 D CB 0.819 41.636 40.800 0.028 0.000 1.145 40 D HN 0.615 nan 8.370 nan 0.000 0.542 41 Y N 2.829 123.009 120.300 -0.200 0.000 2.442 41 Y HA 0.422 4.972 4.550 0.000 0.000 0.330 41 Y C -2.587 173.211 175.900 -0.170 0.000 1.100 41 Y CA -1.962 56.010 58.100 -0.214 0.000 1.034 41 Y CB 1.973 40.130 38.460 -0.505 0.000 1.285 41 Y HN 0.171 nan 8.280 nan 0.000 0.440 42 P HA 0.307 nan 4.420 nan 0.000 0.267 42 P C 0.535 177.694 177.300 -0.234 0.000 1.205 42 P CA 1.657 64.565 63.100 -0.320 0.000 0.765 42 P CB 0.898 32.394 31.700 -0.340 0.000 0.828 43 G N 1.486 110.233 108.800 -0.088 0.000 2.268 43 G HA2 -0.202 3.758 3.960 0.000 0.000 0.240 43 G HA3 -0.202 3.758 3.960 0.000 0.000 0.240 43 G C -0.064 174.858 174.900 0.037 0.000 1.010 43 G CA -0.093 45.006 45.100 -0.002 0.000 0.618 43 G HN 0.547 nan 8.290 nan 0.000 0.516 44 V N 1.605 121.531 119.914 0.021 0.000 2.398 44 V HA 0.700 4.821 4.120 0.000 0.000 0.286 44 V C 0.476 176.522 176.094 -0.081 0.000 1.026 44 V CA -0.649 61.631 62.300 -0.034 0.000 0.868 44 V CB 1.584 33.299 31.823 -0.181 0.000 0.982 44 V HN 0.451 nan 8.190 nan 0.000 0.443 45 R N 3.540 124.009 120.500 -0.053 0.000 2.494 45 R HA 0.562 4.902 4.340 0.000 0.000 0.305 45 R C -1.034 175.238 176.300 -0.046 0.000 0.959 45 R CA -0.958 55.113 56.100 -0.049 0.000 0.864 45 R CB 1.555 31.838 30.300 -0.027 0.000 1.159 45 R HN 0.628 nan 8.270 nan 0.000 0.446 46 L N 6.102 127.297 121.223 -0.047 0.000 2.407 46 L HA 0.097 4.437 4.340 0.000 0.000 0.282 46 L C 0.331 177.192 176.870 -0.014 0.000 1.110 46 L CA 0.409 55.231 54.840 -0.031 0.000 0.863 46 L CB 1.130 43.169 42.059 -0.033 0.000 1.207 46 L HN 0.632 nan 8.230 nan 0.000 0.454 47 V N 2.995 122.906 119.914 -0.004 0.000 2.302 47 V HA 0.072 4.192 4.120 0.000 0.000 0.243 47 V C 0.948 177.049 176.094 0.012 0.000 1.036 47 V CA 1.385 63.688 62.300 0.004 0.000 1.020 47 V CB -0.517 31.311 31.823 0.008 0.000 0.657 47 V HN 0.964 nan 8.190 nan 0.000 0.453 48 S N -1.349 114.364 115.700 0.022 0.000 2.611 48 S HA 0.498 4.968 4.470 0.000 0.000 0.270 48 S C -0.681 173.952 174.600 0.055 0.000 1.131 48 S CA -0.202 58.019 58.200 0.034 0.000 0.826 48 S CB 1.905 65.126 63.200 0.034 0.000 1.095 48 S HN 0.468 nan 8.310 nan 0.000 0.461 49 T N -0.866 113.730 114.554 0.068 0.000 2.863 49 T HA 0.792 5.142 4.350 0.000 0.000 0.285 49 T C -0.732 174.037 174.700 0.115 0.000 1.009 49 T CA -0.611 61.553 62.100 0.106 0.000 0.989 49 T CB 1.642 70.576 68.868 0.111 0.000 1.004 49 T HN 0.709 nan 8.240 nan 0.000 0.455 50 T N 3.272 117.928 114.554 0.171 0.000 2.812 50 T HA 0.630 4.980 4.350 0.000 0.000 0.282 50 T C -0.205 174.649 174.700 0.256 0.000 0.990 50 T CA -0.967 61.229 62.100 0.160 0.000 0.960 50 T CB 0.936 69.861 68.868 0.095 0.000 0.948 50 T HN 0.861 nan 8.240 nan 0.000 0.438 51 R N 0.964 121.573 120.500 0.183 0.000 2.803 51 R HA 0.890 5.230 4.340 0.000 0.000 0.276 51 R C -0.884 175.508 176.300 0.153 0.000 0.978 51 R CA -0.936 55.286 56.100 0.205 0.000 0.939 51 R CB 1.261 31.645 30.300 0.141 0.000 1.179 51 R HN 0.433 nan 8.270 nan 0.000 0.472 52 V N -2.282 117.737 119.914 0.175 0.000 3.046 52 V HA 0.450 4.570 4.120 0.000 0.000 0.316 52 V C -2.056 174.094 176.094 0.092 0.000 1.104 52 V CA -2.391 59.978 62.300 0.115 0.000 1.006 52 V CB 1.706 33.603 31.823 0.124 0.000 1.058 52 V HN 0.546 nan 8.190 nan 0.000 0.440 53 P HA -0.190 nan 4.420 nan 0.000 0.219 53 P C 0.439 177.778 177.300 0.064 0.000 1.153 53 P CA 1.576 64.705 63.100 0.049 0.000 0.865 53 P CB -0.109 31.609 31.700 0.031 0.000 0.788 54 N N -0.357 118.395 118.700 0.086 0.000 2.405 54 N HA 0.140 4.880 4.740 0.000 0.000 0.260 54 N C 0.939 176.542 175.510 0.155 0.000 1.152 54 N CA 0.202 53.330 53.050 0.130 0.000 0.948 54 N CB 0.552 39.143 38.487 0.174 0.000 1.111 54 N HN -0.110 nan 8.380 nan 0.000 0.485 55 A N 4.079 126.957 122.820 0.096 0.000 2.172 55 A HA -0.097 4.223 4.320 0.000 0.000 0.216 55 A C 1.359 178.953 177.584 0.017 0.000 1.154 55 A CA 0.795 52.865 52.037 0.056 0.000 0.701 55 A CB -0.148 18.867 19.000 0.026 0.000 0.789 55 A HN 0.695 nan 8.150 nan 0.000 0.465 56 N N -1.080 117.635 118.700 0.025 0.000 2.461 56 N HA 0.102 4.842 4.740 0.000 0.000 0.188 56 N C -1.050 174.225 175.510 -0.391 0.000 1.134 56 N CA 0.515 53.461 53.050 -0.174 0.000 0.878 56 N CB -0.071 38.312 38.487 -0.174 0.000 0.972 56 N HN 0.587 nan 8.380 nan 0.000 0.456 57 Y N -0.305 119.978 120.300 -0.030 0.000 2.442 57 Y HA 0.507 5.057 4.550 0.000 0.000 0.344 57 Y C -0.574 175.242 175.900 -0.139 0.000 0.976 57 Y CA -1.165 56.860 58.100 -0.126 0.000 1.040 57 Y CB 2.007 40.359 38.460 -0.179 0.000 1.228 57 Y HN -0.225 nan 8.280 nan 0.000 0.451 58 L N 3.713 124.859 121.223 -0.129 0.000 2.409 58 L HA 0.663 5.003 4.340 0.000 0.000 0.272 58 L C -2.057 174.697 176.870 -0.193 0.000 0.980 58 L CA -0.814 53.996 54.840 -0.051 0.000 0.826 58 L CB 0.877 42.928 42.059 -0.012 0.000 1.268 58 L HN 0.415 nan 8.230 nan 0.000 0.407 59 F N 4.945 124.957 119.950 0.103 0.000 2.385 59 F HA 0.577 5.104 4.527 0.000 0.000 0.360 59 F C 0.029 175.877 175.800 0.080 0.000 1.122 59 F CA -0.720 57.338 58.000 0.097 0.000 1.090 59 F CB 1.691 40.747 39.000 0.093 0.000 1.150 59 F HN 0.099 nan 8.300 nan 0.000 0.472 60 V N 3.240 123.266 119.914 0.186 0.000 2.357 60 V HA 0.259 4.379 4.120 0.000 0.000 0.284 60 V C -0.729 175.411 176.094 0.077 0.000 1.018 60 V CA -0.833 61.537 62.300 0.117 0.000 0.841 60 V CB 1.338 33.212 31.823 0.085 0.000 0.991 60 V HN 0.575 nan 8.190 nan 0.000 0.437 61 D N 5.112 125.554 120.400 0.070 0.000 2.249 61 D HA 0.633 5.273 4.640 0.000 0.000 0.246 61 D C -0.464 175.842 176.300 0.011 0.000 1.114 61 D CA 0.002 54.028 54.000 0.043 0.000 0.854 61 D CB 1.280 42.113 40.800 0.055 0.000 1.132 61 D HN 0.355 nan 8.370 nan 0.000 0.461 62 L N 1.694 122.911 121.223 -0.011 0.000 2.341 62 L HA 0.561 4.902 4.340 0.000 0.000 0.267 62 L C -0.240 176.630 176.870 -0.001 0.000 1.009 62 L CA -1.038 53.791 54.840 -0.019 0.000 0.819 62 L CB 1.989 44.023 42.059 -0.043 0.000 1.323 62 L HN 0.239 nan 8.230 nan 0.000 0.425 63 E N 2.017 122.219 120.200 0.003 0.000 2.145 63 E HA 0.435 4.785 4.350 0.000 0.000 0.262 63 E C -1.177 175.448 176.600 0.042 0.000 0.883 63 E CA -0.234 56.176 56.400 0.016 0.000 0.748 63 E CB 1.073 30.772 29.700 -0.001 0.000 1.140 63 E HN 0.410 nan 8.360 nan 0.000 0.417 64 I N 4.762 125.387 120.570 0.092 0.000 2.276 64 I HA 0.336 4.506 4.170 0.000 0.000 0.290 64 I C 0.943 177.138 176.117 0.131 0.000 1.109 64 I CA -0.587 60.803 61.300 0.151 0.000 1.229 64 I CB 0.991 39.153 38.000 0.270 0.000 1.452 64 I HN 0.570 nan 8.210 nan 0.000 0.497 65 G N 6.427 115.279 108.800 0.087 0.000 2.614 65 G HA2 0.126 4.086 3.960 0.000 0.000 0.239 65 G HA3 0.126 4.086 3.960 0.000 0.000 0.239 65 G C -1.290 173.660 174.900 0.083 0.000 1.240 65 G CA -0.821 44.317 45.100 0.064 0.000 0.842 65 G HN 0.424 nan 8.290 nan 0.000 0.584 66 P HA -0.073 nan 4.420 nan 0.000 0.231 66 P C 1.063 178.403 177.300 0.065 0.000 1.158 66 P CA 0.979 64.120 63.100 0.068 0.000 0.763 66 P CB 0.346 32.073 31.700 0.045 0.000 0.805 67 E N -0.274 119.958 120.200 0.055 0.000 2.472 67 E HA 0.102 4.453 4.350 0.000 0.000 0.196 67 E C 0.641 177.273 176.600 0.053 0.000 1.033 67 E CA -0.129 56.295 56.400 0.041 0.000 0.886 67 E CB -0.563 29.146 29.700 0.015 0.000 0.944 67 E HN 0.015 nan 8.360 nan 0.000 0.492 68 A N 2.738 125.615 122.820 0.095 0.000 2.515 68 A HA 0.058 4.378 4.320 0.000 0.000 0.263 68 A C 0.381 178.079 177.584 0.191 0.000 1.096 68 A CA -0.144 51.986 52.037 0.156 0.000 0.769 68 A CB 0.083 19.227 19.000 0.242 0.000 1.040 68 A HN 0.113 nan 8.150 nan 0.000 0.505 69 Q N 2.004 121.906 119.800 0.170 0.000 2.306 69 Q HA 0.292 4.632 4.340 0.000 0.000 0.241 69 Q C -2.283 173.893 176.000 0.294 0.000 0.948 69 Q CA -1.595 54.315 55.803 0.178 0.000 0.886 69 Q CB 0.125 28.925 28.738 0.102 0.000 1.227 69 Q HN 0.486 nan 8.270 nan 0.000 0.457 70 P HA 0.268 nan 4.420 nan 0.000 0.269 70 P C -0.259 177.183 177.300 0.236 0.000 1.209 70 P CA 0.233 63.459 63.100 0.211 0.000 0.776 70 P CB 0.620 32.404 31.700 0.139 0.000 0.876 71 G N 0.459 109.377 108.800 0.195 0.000 2.351 71 G HA2 0.432 4.392 3.960 0.000 0.000 0.279 71 G HA3 0.432 4.392 3.960 0.000 0.000 0.279 71 G C -1.520 173.407 174.900 0.046 0.000 1.297 71 G CA -0.253 44.954 45.100 0.178 0.000 0.886 71 G HN 0.671 nan 8.290 nan 0.000 0.493 72 S N -0.982 114.740 115.700 0.037 0.000 2.548 72 S HA 0.900 5.370 4.470 0.000 0.000 0.286 72 S C -0.877 173.711 174.600 -0.019 0.000 1.098 72 S CA -0.576 57.559 58.200 -0.108 0.000 0.930 72 S CB 1.870 65.000 63.200 -0.116 0.000 1.070 72 S HN 1.951 nan 8.310 nan 0.000 0.480 73 F N -1.107 118.744 119.950 -0.165 0.000 2.588 73 F HA 0.723 5.250 4.527 0.000 0.000 0.310 73 F C -1.101 174.703 175.800 0.007 0.000 1.082 73 F CA -1.085 56.874 58.000 -0.069 0.000 0.929 73 F CB 0.783 39.699 39.000 -0.141 0.000 1.254 73 F HN 0.331 nan 8.300 nan 0.000 0.455 74 D N 2.911 123.416 120.400 0.174 0.000 2.351 74 D HA 0.340 4.981 4.640 0.000 0.000 0.251 74 D C -0.113 176.289 176.300 0.170 0.000 1.137 74 D CA 0.286 54.348 54.000 0.103 0.000 0.879 74 D CB 1.649 42.493 40.800 0.074 0.000 1.181 74 D HN 0.540 nan 8.370 nan 0.000 0.448 75 I N 2.929 123.553 120.570 0.090 0.000 2.307 75 I HA 0.074 4.245 4.170 0.000 0.000 0.287 75 I C 0.329 176.242 176.117 -0.340 0.000 1.054 75 I CA -0.966 60.277 61.300 -0.096 0.000 1.218 75 I CB 0.893 38.809 38.000 -0.140 0.000 1.398 75 I HN 0.084 nan 8.210 nan 0.000 0.475 76 V N 3.698 123.449 119.914 -0.271 0.000 2.555 76 V HA 0.391 4.511 4.120 0.000 0.000 0.286 76 V C -0.564 175.286 176.094 -0.406 0.000 1.044 76 V CA -0.060 62.117 62.300 -0.205 0.000 1.026 76 V CB 0.467 32.252 31.823 -0.062 0.000 0.981 76 V HN 0.371 nan 8.190 nan 0.000 0.480 77 F N 3.875 123.846 119.950 0.035 0.000 2.444 77 F HA 0.706 5.233 4.527 0.000 0.000 0.342 77 F C 0.309 176.116 175.800 0.011 0.000 1.121 77 F CA -0.461 57.549 58.000 0.017 0.000 0.997 77 F CB 1.816 40.817 39.000 0.002 0.000 1.130 77 F HN 0.591 nan 8.300 nan 0.000 0.454 78 K N 2.439 122.933 120.400 0.157 0.000 2.443 78 K HA 0.826 5.146 4.320 0.000 0.000 0.252 78 K C -0.739 175.908 176.600 0.079 0.000 0.933 78 K CA -0.593 55.748 56.287 0.091 0.000 0.792 78 K CB 2.102 34.632 32.500 0.050 0.000 1.185 78 K HN 0.891 nan 8.250 nan 0.000 0.425 79 G N 1.965 110.800 108.800 0.059 0.000 2.340 79 G HA2 0.205 4.165 3.960 0.000 0.000 0.298 79 G HA3 0.205 4.165 3.960 0.000 0.000 0.298 79 G C -1.205 173.713 174.900 0.029 0.000 1.498 79 G CA -0.404 44.722 45.100 0.043 0.000 0.847 79 G HN 0.613 nan 8.290 nan 0.000 0.594 80 D N -1.284 119.129 120.400 0.021 0.000 3.039 80 D HA -0.116 4.524 4.640 0.000 0.000 0.222 80 D C 1.561 177.867 176.300 0.011 0.000 1.179 80 D CA 3.161 57.168 54.000 0.012 0.000 0.880 80 D CB -1.267 39.536 40.800 0.006 0.000 1.115 80 D HN 2.359 nan 8.370 nan 0.000 0.416 81 G N 0.111 108.920 108.800 0.015 0.000 2.256 81 G HA2 -0.296 3.664 3.960 0.000 0.000 0.272 81 G HA3 -0.296 3.664 3.960 0.000 0.000 0.272 81 G C 0.118 175.026 174.900 0.013 0.000 1.076 81 G CA 0.655 45.763 45.100 0.013 0.000 0.882 81 G HN 0.877 nan 8.290 nan 0.000 0.497 82 R N -2.276 118.235 120.500 0.019 0.000 2.734 82 R HA 0.809 5.149 4.340 0.000 0.000 0.271 82 R C -1.138 175.184 176.300 0.037 0.000 1.021 82 R CA -0.441 55.671 56.100 0.020 0.000 0.893 82 R CB 1.109 31.415 30.300 0.011 0.000 1.244 82 R HN 0.566 nan 8.270 nan 0.000 0.464 83 S N 0.292 116.015 115.700 0.040 0.000 2.500 83 S HA 0.493 4.963 4.470 0.000 0.000 0.301 83 S C -1.263 173.383 174.600 0.076 0.000 1.092 83 S CA -0.600 57.638 58.200 0.062 0.000 1.030 83 S CB 1.354 64.583 63.200 0.048 0.000 1.031 83 S HN 0.548 nan 8.310 nan 0.000 0.483 84 E N 2.889 123.172 120.200 0.138 0.000 2.272 84 E HA 0.479 4.829 4.350 0.000 0.000 0.269 84 E C -0.856 175.907 176.600 0.272 0.000 0.877 84 E CA -0.819 55.681 56.400 0.166 0.000 0.755 84 E CB 1.651 31.426 29.700 0.125 0.000 1.192 84 E HN 0.533 nan 8.360 nan 0.000 0.422 85 R N 1.675 122.299 120.500 0.207 0.000 2.664 85 R HA 0.534 4.874 4.340 0.000 0.000 0.286 85 R C -0.924 175.549 176.300 0.289 0.000 0.967 85 R CA -0.928 55.295 56.100 0.205 0.000 0.933 85 R CB 1.711 32.065 30.300 0.090 0.000 1.146 85 R HN 0.597 nan 8.270 nan 0.000 0.468 86 Y N 0.730 121.120 120.300 0.151 0.000 2.362 86 Y HA 0.285 4.835 4.550 0.000 0.000 0.326 86 Y C -0.556 175.365 175.900 0.035 0.000 1.083 86 Y CA -0.770 57.397 58.100 0.111 0.000 1.073 86 Y CB 1.459 40.047 38.460 0.213 0.000 1.211 86 Y HN 0.514 nan 8.280 nan 0.000 0.433 87 R N 5.499 125.774 120.500 -0.375 0.000 2.242 87 R HA 0.205 4.545 4.340 0.000 0.000 0.334 87 R C -1.748 174.320 176.300 -0.387 0.000 1.071 87 R CA -0.156 55.757 56.100 -0.311 0.000 0.922 87 R CB 0.163 30.294 30.300 -0.283 0.000 1.023 87 R HN 0.730 nan 8.270 nan 0.000 0.458 88 Y N 3.875 123.937 120.300 -0.397 0.000 2.326 88 Y HA 0.273 4.824 4.550 0.000 0.000 0.337 88 Y C -0.131 175.452 175.900 -0.529 0.000 1.023 88 Y CA -0.453 57.423 58.100 -0.375 0.000 1.143 88 Y CB 0.774 38.907 38.460 -0.546 0.000 1.183 88 Y HN 0.464 nan 8.280 nan 0.000 0.485 89 R N 5.196 125.388 120.500 -0.514 0.000 2.312 89 R HA 0.422 4.762 4.340 0.000 0.000 0.311 89 R C -1.733 174.458 176.300 -0.182 0.000 1.004 89 R CA -0.894 55.011 56.100 -0.326 0.000 0.902 89 R CB 0.686 30.788 30.300 -0.331 0.000 1.073 89 R HN 0.582 nan 8.270 nan 0.000 0.457 90 L N 5.493 126.686 121.223 -0.049 0.000 2.264 90 L HA 0.313 4.654 4.340 0.000 0.000 0.287 90 L C -0.901 175.960 176.870 -0.015 0.000 1.039 90 L CA -0.391 54.496 54.840 0.079 0.000 0.829 90 L CB 1.220 43.420 42.059 0.234 0.000 1.211 90 L HN 0.481 nan 8.230 nan 0.000 0.427 91 L N 3.168 124.289 121.223 -0.170 0.000 2.375 91 L HA 0.608 4.948 4.340 0.000 0.000 0.271 91 L C 0.645 177.575 176.870 0.099 0.000 1.107 91 L CA 0.060 54.801 54.840 -0.166 0.000 0.806 91 L CB 1.047 42.821 42.059 -0.476 0.000 1.146 91 L HN 0.670 nan 8.230 nan 0.000 0.447 92 A N 3.752 126.656 122.820 0.139 0.000 2.388 92 A HA 0.492 4.812 4.320 0.000 0.000 0.257 92 A C 0.288 178.042 177.584 0.282 0.000 1.095 92 A CA -0.384 51.767 52.037 0.189 0.000 0.791 92 A CB 0.131 19.201 19.000 0.117 0.000 1.029 92 A HN 0.706 nan 8.150 nan 0.000 0.489 93 R N 1.156 121.793 120.500 0.229 0.000 2.500 93 R HA 0.273 4.613 4.340 0.000 0.000 0.275 93 R C -0.298 176.046 176.300 0.074 0.000 1.051 93 R CA -0.429 55.754 56.100 0.140 0.000 1.088 93 R CB 0.833 31.168 30.300 0.059 0.000 1.063 93 R HN 0.807 nan 8.270 nan 0.000 0.511 94 E N 1.731 121.946 120.200 0.026 0.000 2.404 94 E HA -0.044 4.306 4.350 0.000 0.000 0.261 94 E C -0.361 176.243 176.600 0.008 0.000 1.074 94 E CA -0.005 56.402 56.400 0.012 0.000 0.917 94 E CB 0.663 30.355 29.700 -0.013 0.000 0.965 94 E HN 0.289 nan 8.360 nan 0.000 0.433 95 Q N 0.415 120.221 119.800 0.009 0.000 2.263 95 Q HA 0.095 4.436 4.340 0.000 0.000 0.289 95 Q C 0.573 176.573 176.000 0.001 0.000 1.061 95 Q CA 0.715 56.522 55.803 0.007 0.000 0.927 95 Q CB 0.463 29.205 28.738 0.006 0.000 1.154 95 Q HN 0.876 nan 8.270 nan 0.000 0.378 96 G N 2.208 111.010 108.800 0.003 0.000 2.272 96 G HA2 -0.307 3.654 3.960 0.000 0.000 0.280 96 G HA3 -0.307 3.654 3.960 0.000 0.000 0.280 96 G C 0.643 175.547 174.900 0.007 0.000 1.067 96 G CA 0.479 45.581 45.100 0.003 0.000 0.902 96 G HN 0.610 nan 8.290 nan 0.000 0.500 97 S N -0.743 114.961 115.700 0.007 0.000 2.377 97 S HA 0.273 4.743 4.470 0.000 0.000 0.223 97 S C 2.793 177.461 174.600 0.113 0.000 1.030 97 S CA 1.547 59.761 58.200 0.023 0.000 0.970 97 S CB -0.186 63.001 63.200 -0.022 0.000 0.830 97 S HN 1.600 nan 8.310 nan 0.000 0.473 98 A N 0.721 123.572 122.820 0.052 0.000 1.969 98 A HA 0.022 4.343 4.320 0.000 0.000 0.218 98 A C 1.994 179.640 177.584 0.103 0.000 1.169 98 A CA 1.049 53.098 52.037 0.021 0.000 0.635 98 A CB -0.348 18.601 19.000 -0.085 0.000 0.810 98 A HN 0.545 nan 8.150 nan 0.000 0.445 99 Q N 0.057 119.895 119.800 0.063 0.000 2.246 99 Q HA 0.024 4.364 4.340 0.000 0.000 0.202 99 Q C -0.039 175.985 176.000 0.039 0.000 0.883 99 Q CA -0.077 55.752 55.803 0.044 0.000 0.952 99 Q CB -0.073 28.673 28.738 0.014 0.000 1.078 99 Q HN 0.847 nan 8.270 nan 0.000 0.493 100 R N 0.692 121.226 120.500 0.056 0.000 2.500 100 R HA -0.041 4.299 4.340 0.000 0.000 0.281 100 R C 0.009 176.298 176.300 -0.018 0.000 0.953 100 R CA 0.050 56.151 56.100 0.001 0.000 1.108 100 R CB 0.046 30.321 30.300 -0.041 0.000 0.901 100 R HN -0.216 nan 8.270 nan 0.000 0.410 101 Q N 2.749 122.530 119.800 -0.031 0.000 2.281 101 Q HA 0.218 4.559 4.340 0.000 0.000 0.267 101 Q C -0.089 175.879 176.000 -0.053 0.000 1.053 101 Q CA 0.557 56.334 55.803 -0.042 0.000 0.905 101 Q CB 1.194 29.909 28.738 -0.039 0.000 1.195 101 Q HN 0.773 nan 8.270 nan 0.000 0.398 102 G N 3.094 111.841 108.800 -0.088 0.000 2.599 102 G HA2 0.336 4.296 3.960 0.000 0.000 0.264 102 G HA3 0.336 4.296 3.960 0.000 0.000 0.264 102 G C -0.634 174.201 174.900 -0.109 0.000 1.200 102 G CA -0.637 44.388 45.100 -0.126 0.000 0.896 102 G HN 0.743 nan 8.290 nan 0.000 0.536 103 F N -0.328 119.586 119.950 -0.059 0.000 2.553 103 F HA 0.605 5.132 4.527 0.000 0.000 0.356 103 F C 0.577 176.339 175.800 -0.064 0.000 1.142 103 F CA -0.436 57.530 58.000 -0.057 0.000 1.322 103 F CB 0.534 39.508 39.000 -0.043 0.000 1.126 103 F HN 0.624 nan 8.300 nan 0.000 0.599 104 G N 1.828 110.648 108.800 0.033 0.000 2.911 104 G HA2 0.498 4.458 3.960 0.000 0.000 0.299 104 G HA3 0.498 4.458 3.960 0.000 0.000 0.299 104 G C -2.695 172.188 174.900 -0.029 0.000 1.283 104 G CA -1.239 43.822 45.100 -0.066 0.000 0.805 104 G HN 0.292 nan 8.290 nan 0.000 0.548 105 P HA 0.016 nan 4.420 nan 0.000 0.219 105 P C 1.745 178.918 177.300 -0.212 0.000 1.146 105 P CA 1.667 64.719 63.100 -0.079 0.000 0.808 105 P CB 0.126 31.795 31.700 -0.051 0.000 0.779 106 G N -1.534 107.019 108.800 -0.412 0.000 2.712 106 G HA2 -0.058 3.902 3.960 0.000 0.000 0.212 106 G HA3 -0.058 3.902 3.960 0.000 0.000 0.212 106 G C 0.498 175.126 174.900 -0.453 0.000 1.142 106 G CA 0.099 44.640 45.100 -0.932 0.000 0.789 106 G HN 0.210 nan 8.290 nan 0.000 0.535 107 D N 0.052 120.343 120.400 -0.181 0.000 2.387 107 D HA 0.565 5.206 4.640 0.000 0.000 0.251 107 D C -0.239 176.071 176.300 0.016 0.000 1.141 107 D CA 0.115 54.091 54.000 -0.041 0.000 0.987 107 D CB 1.818 42.658 40.800 0.068 0.000 1.116 107 D HN 0.095 nan 8.370 nan 0.000 0.491 108 A N 1.388 124.261 122.820 0.087 0.000 2.414 108 A HA 0.485 4.805 4.320 0.000 0.000 0.286 108 A C -0.609 177.214 177.584 0.398 0.000 1.073 108 A CA -0.596 51.565 52.037 0.206 0.000 0.727 108 A CB 0.463 19.504 19.000 0.068 0.000 1.215 108 A HN 0.430 nan 8.150 nan 0.000 0.430 109 I N 2.300 123.076 120.570 0.343 0.000 2.342 109 I HA 0.213 4.383 4.170 0.000 0.000 0.291 109 I C -0.726 175.509 176.117 0.197 0.000 1.010 109 I CA -0.422 61.012 61.300 0.222 0.000 1.308 109 I CB 0.950 38.995 38.000 0.074 0.000 1.400 109 I HN 0.699 nan 8.210 nan 0.000 0.488 110 Y N 6.645 126.846 120.300 -0.165 0.000 2.342 110 Y HA 0.262 4.812 4.550 0.000 0.000 0.338 110 Y C -0.007 175.721 175.900 -0.287 0.000 0.965 110 Y CA -0.398 57.406 58.100 -0.494 0.000 1.159 110 Y CB 0.966 38.948 38.460 -0.797 0.000 1.157 110 Y HN 0.508 nan 8.280 nan 0.000 0.486 111 Q N 7.859 127.329 119.800 -0.550 0.000 2.303 111 Q HA 0.512 4.852 4.340 0.000 0.000 0.257 111 Q C -1.132 174.434 176.000 -0.722 0.000 0.941 111 Q CA -0.724 54.711 55.803 -0.613 0.000 0.931 111 Q CB 0.717 29.046 28.738 -0.682 0.000 1.215 111 Q HN 0.842 nan 8.270 nan 0.000 0.437 112 I N 0.357 120.537 120.570 -0.650 0.000 2.693 112 I HA 0.511 4.681 4.170 0.000 0.000 0.303 112 I C -0.659 175.243 176.117 -0.358 0.000 1.025 112 I CA -1.163 59.809 61.300 -0.546 0.000 1.086 112 I CB 2.048 39.630 38.000 -0.698 0.000 1.268 112 I HN 0.483 nan 8.210 nan 0.000 0.440 113 M N 5.279 124.793 119.600 -0.143 0.000 2.080 113 M HA 0.313 4.794 4.480 0.000 0.000 0.350 113 M C -1.660 174.673 176.300 0.054 0.000 1.173 113 M CA -1.635 53.632 55.300 -0.055 0.000 1.052 113 M CB 1.518 34.181 32.600 0.104 0.000 1.577 113 M HN 0.471 nan 8.290 nan 0.000 0.455 114 P HA -0.219 nan 4.420 nan 0.000 0.216 114 P C 0.680 178.126 177.300 0.245 0.000 1.153 114 P CA 1.740 64.828 63.100 -0.020 0.000 0.858 114 P CB 0.136 31.545 31.700 -0.485 0.000 0.789 115 D N -1.381 119.258 120.400 0.397 0.000 2.312 115 D HA -0.093 4.547 4.640 0.000 0.000 0.211 115 D C 1.720 178.350 176.300 0.550 0.000 0.964 115 D CA 0.668 54.999 54.000 0.551 0.000 0.877 115 D CB 0.006 41.163 40.800 0.595 0.000 0.924 115 D HN -0.114 nan 8.370 nan 0.000 0.515 116 R N -0.868 119.923 120.500 0.485 0.000 2.397 116 R HA 0.110 4.451 4.340 0.000 0.000 0.241 116 R C 1.037 177.752 176.300 0.692 0.000 0.914 116 R CA -0.121 56.303 56.100 0.541 0.000 1.071 116 R CB -0.263 30.229 30.300 0.319 0.000 1.116 116 R HN 0.259 nan 8.270 nan 0.000 0.524 117 F N 0.916 121.073 119.950 0.345 0.000 2.135 117 F HA 0.420 4.947 4.527 0.000 0.000 0.280 117 F C 0.049 175.963 175.800 0.191 0.000 1.109 117 F CA 0.156 58.284 58.000 0.214 0.000 1.163 117 F CB 0.071 39.086 39.000 0.025 0.000 1.062 117 F HN -0.127 nan 8.300 nan 0.000 0.496 118 A N 0.681 123.338 122.820 -0.272 0.000 2.459 118 A HA 0.449 4.769 4.320 0.000 0.000 0.296 118 A C -1.551 175.677 177.584 -0.593 0.000 1.039 118 A CA -0.632 51.043 52.037 -0.604 0.000 0.698 118 A CB 0.490 19.141 19.000 -0.581 0.000 1.261 118 A HN 0.272 nan 8.150 nan 0.000 0.405 119 N N 1.965 120.063 118.700 -1.003 0.000 2.558 119 N HA 0.367 5.107 4.740 0.000 0.000 0.233 119 N C 0.934 176.216 175.510 -0.379 0.000 1.038 119 N CA 0.469 53.099 53.050 -0.701 0.000 0.934 119 N CB 1.152 38.999 38.487 -1.066 0.000 1.175 119 N HN 0.728 nan 8.380 nan 0.000 0.512 120 G N 1.199 109.873 108.800 -0.211 0.000 2.986 120 G HA2 -0.020 3.940 3.960 0.000 0.000 0.213 120 G HA3 -0.020 3.940 3.960 0.000 0.000 0.213 120 G C -0.116 174.730 174.900 -0.089 0.000 1.156 120 G CA -0.045 44.971 45.100 -0.140 0.000 0.763 120 G HN 0.534 nan 8.290 nan 0.000 0.547 121 D N -0.691 119.667 120.400 -0.070 0.000 2.375 121 D HA 0.291 4.931 4.640 0.000 0.000 0.241 121 D C -2.278 174.011 176.300 -0.017 0.000 1.361 121 D CA -1.619 52.363 54.000 -0.031 0.000 0.995 121 D CB 2.266 43.062 40.800 -0.006 0.000 1.312 121 D HN -0.104 nan 8.370 nan 0.000 0.576 122 P HA -0.015 nan 4.420 nan 0.000 0.236 122 P C 1.283 178.598 177.300 0.024 0.000 1.177 122 P CA 0.466 63.577 63.100 0.019 0.000 0.773 122 P CB 0.256 31.974 31.700 0.030 0.000 0.878 123 S N 0.838 116.547 115.700 0.015 0.000 2.423 123 S HA -0.140 4.330 4.470 0.000 0.000 0.231 123 S C 1.543 176.152 174.600 0.015 0.000 1.014 123 S CA 1.231 59.439 58.200 0.014 0.000 0.965 123 S CB -1.425 61.782 63.200 0.011 0.000 0.785 123 S HN 0.212 nan 8.310 nan 0.000 0.495 124 N N 0.716 119.426 118.700 0.016 0.000 2.280 124 N HA 0.130 4.870 4.740 0.000 0.000 0.192 124 N C 0.454 175.967 175.510 0.004 0.000 1.109 124 N CA 0.423 53.480 53.050 0.011 0.000 0.855 124 N CB -0.382 38.117 38.487 0.019 0.000 0.974 124 N HN 0.137 nan 8.380 nan 0.000 0.482 125 D N 0.336 120.750 120.400 0.022 0.000 2.133 125 D HA -0.110 4.531 4.640 0.000 0.000 0.195 125 D C -0.125 176.184 176.300 0.015 0.000 0.997 125 D CA 1.285 55.309 54.000 0.039 0.000 0.840 125 D CB -0.084 40.759 40.800 0.072 0.000 0.947 125 D HN 0.331 nan 8.370 nan 0.000 0.452 126 N N -0.550 118.154 118.700 0.008 0.000 2.272 126 N HA 0.403 5.143 4.740 0.000 0.000 0.305 126 N C -1.129 174.375 175.510 -0.010 0.000 1.103 126 N CA -0.430 52.617 53.050 -0.005 0.000 0.791 126 N CB 2.933 41.420 38.487 -0.001 0.000 1.356 126 N HN -0.242 nan 8.380 nan 0.000 0.486 127 V N 0.726 120.628 119.914 -0.019 0.000 2.709 127 V HA 0.526 4.646 4.120 0.000 0.000 0.308 127 V C -0.033 176.050 176.094 -0.017 0.000 1.062 127 V CA -1.148 61.142 62.300 -0.016 0.000 0.901 127 V CB 1.715 33.527 31.823 -0.018 0.000 1.003 127 V HN 0.809 nan 8.190 nan 0.000 0.425 128 A N 3.001 125.813 122.820 -0.013 0.000 2.524 128 A HA 0.564 4.884 4.320 0.000 0.000 0.250 128 A C 1.440 179.013 177.584 -0.017 0.000 1.078 128 A CA 0.984 53.012 52.037 -0.014 0.000 0.761 128 A CB -0.428 18.566 19.000 -0.011 0.000 1.012 128 A HN 2.207 nan 8.150 nan 0.000 0.500 129 G N 1.689 110.475 108.800 -0.022 0.000 2.349 129 G HA2 -0.177 3.784 3.960 0.000 0.000 0.213 129 G HA3 -0.177 3.784 3.960 0.000 0.000 0.213 129 G C 0.328 175.207 174.900 -0.035 0.000 1.044 129 G CA 0.080 45.165 45.100 -0.025 0.000 0.633 129 G HN 0.653 nan 8.290 nan 0.000 0.506 130 M N 1.186 120.763 119.600 -0.038 0.000 2.228 130 M HA 0.373 4.853 4.480 0.000 0.000 0.351 130 M C 1.673 177.936 176.300 -0.062 0.000 1.233 130 M CA 0.123 55.393 55.300 -0.050 0.000 1.129 130 M CB 0.628 33.199 32.600 -0.049 0.000 1.604 130 M HN 0.332 nan 8.290 nan 0.000 0.457 131 R N 0.974 121.423 120.500 -0.086 0.000 2.062 131 R HA -0.034 4.306 4.340 0.000 0.000 0.229 131 R C 0.533 176.785 176.300 -0.080 0.000 1.128 131 R CA 0.944 56.982 56.100 -0.103 0.000 0.960 131 R CB 0.101 30.296 30.300 -0.175 0.000 0.855 131 R HN 0.655 nan 8.270 nan 0.000 0.432 132 E N 1.574 121.732 120.200 -0.071 0.000 2.229 132 E HA 0.001 4.351 4.350 0.000 0.000 0.283 132 E C -0.610 175.963 176.600 -0.045 0.000 1.030 132 E CA -0.387 55.976 56.400 -0.061 0.000 0.836 132 E CB 0.741 30.410 29.700 -0.052 0.000 1.068 132 E HN 0.000 nan 8.360 nan 0.000 0.401 133 Q N 1.475 121.249 119.800 -0.043 0.000 2.259 133 Q HA 0.333 4.673 4.340 0.000 0.000 0.246 133 Q C -0.519 175.473 176.000 -0.014 0.000 0.920 133 Q CA -0.397 55.389 55.803 -0.027 0.000 0.895 133 Q CB 1.636 30.358 28.738 -0.028 0.000 1.220 133 Q HN 0.614 nan 8.270 nan 0.000 0.439 134 A N 1.893 124.717 122.820 0.006 0.000 2.477 134 A HA 0.224 4.544 4.320 0.000 0.000 0.246 134 A C -0.310 177.287 177.584 0.023 0.000 1.078 134 A CA 0.038 52.096 52.037 0.035 0.000 0.770 134 A CB 0.075 19.109 19.000 0.057 0.000 1.011 134 A HN 0.605 nan 8.150 nan 0.000 0.494 135 D N 1.031 121.451 120.400 0.033 0.000 2.375 135 D HA 0.197 4.837 4.640 0.000 0.000 0.241 135 D C 0.701 176.967 176.300 -0.055 0.000 1.361 135 D CA -0.427 53.572 54.000 -0.001 0.000 0.995 135 D CB 0.724 41.529 40.800 0.007 0.000 1.312 135 D HN 0.506 nan 8.370 nan 0.000 0.576 136 R N 2.358 122.746 120.500 -0.186 0.000 2.235 136 R HA 0.101 4.441 4.340 0.000 0.000 0.213 136 R C 1.504 177.433 176.300 -0.618 0.000 1.059 136 R CA 0.663 56.419 56.100 -0.572 0.000 0.997 136 R CB 0.316 30.352 30.300 -0.439 0.000 0.884 136 R HN 0.322 nan 8.270 nan 0.000 0.462 137 R N -1.103 119.237 120.500 -0.267 0.000 2.119 137 R HA -0.011 4.329 4.340 0.000 0.000 0.222 137 R C 0.622 176.871 176.300 -0.086 0.000 1.088 137 R CA 0.350 56.348 56.100 -0.171 0.000 0.984 137 R CB -0.110 30.137 30.300 -0.088 0.000 0.884 137 R HN 0.208 nan 8.270 nan 0.000 0.447 138 H N -0.336 118.685 119.070 -0.082 0.000 2.610 138 H HA 0.049 4.605 4.556 0.000 0.000 0.336 138 H C 0.884 176.274 175.328 0.103 0.000 1.087 138 H CA 0.301 56.353 56.048 0.008 0.000 1.405 138 H CB 1.590 31.358 29.762 0.010 0.000 1.460 138 H HN 0.182 nan 8.280 nan 0.000 0.538 139 G N 2.536 111.306 108.800 -0.051 0.000 2.471 139 G HA2 -0.160 3.800 3.960 0.000 0.000 0.219 139 G HA3 -0.160 3.800 3.960 0.000 0.000 0.219 139 G C 1.241 176.207 174.900 0.111 0.000 1.125 139 G CA 0.565 45.690 45.100 0.043 0.000 0.775 139 G HN 0.653 nan 8.290 nan 0.000 0.548 140 G N -0.298 108.789 108.800 0.479 0.000 3.502 140 G HA2 0.500 4.460 3.960 0.000 0.000 0.267 140 G HA3 0.500 4.460 3.960 0.000 0.000 0.267 140 G C 0.571 175.677 174.900 0.342 0.000 1.090 140 G CA 0.424 45.870 45.100 0.578 0.000 0.795 140 G HN 0.574 nan 8.290 nan 0.000 0.535 141 G N -0.180 108.726 108.800 0.178 0.000 2.552 141 G HA2 0.537 4.498 3.960 0.000 0.000 0.318 141 G HA3 0.537 4.498 3.960 0.000 0.000 0.318 141 G C -0.419 174.543 174.900 0.104 0.000 1.240 141 G CA -1.038 44.122 45.100 0.101 0.000 1.002 141 G HN 0.217 nan 8.290 nan 0.000 0.493 142 R N -0.290 120.312 120.500 0.169 0.000 2.234 142 R HA 0.228 4.568 4.340 0.000 0.000 0.324 142 R C 0.382 176.877 176.300 0.324 0.000 1.054 142 R CA -0.243 55.987 56.100 0.217 0.000 0.912 142 R CB 0.774 31.159 30.300 0.141 0.000 1.030 142 R HN 0.725 nan 8.270 nan 0.000 0.455 143 H N 1.090 120.248 119.070 0.147 0.000 2.525 143 H HA 0.073 4.630 4.556 0.000 0.000 0.275 143 H C 1.197 176.794 175.328 0.448 0.000 0.984 143 H CA 0.418 56.577 56.048 0.186 0.000 1.264 143 H CB 0.812 30.611 29.762 0.063 0.000 1.432 143 H HN 1.003 nan 8.280 nan 0.000 0.549 144 G N 0.512 109.627 108.800 0.525 0.000 2.192 144 G HA2 -0.210 3.750 3.960 0.000 0.000 0.193 144 G HA3 -0.210 3.750 3.960 0.000 0.000 0.193 144 G C 0.707 175.766 174.900 0.266 0.000 0.999 144 G CA -0.216 45.104 45.100 0.367 0.000 0.659 144 G HN 0.609 nan 8.290 nan 0.000 0.503 145 G N 0.557 109.582 108.800 0.374 0.000 2.432 145 G HA2 0.534 4.494 3.960 0.000 0.000 0.239 145 G HA3 0.534 4.494 3.960 0.000 0.000 0.239 145 G C 0.008 175.072 174.900 0.274 0.000 1.291 145 G CA 1.037 46.224 45.100 0.144 0.000 0.863 145 G HN 1.017 nan 8.290 nan 0.000 0.560 146 D N -0.234 120.270 120.400 0.174 0.000 2.752 146 D HA 0.276 4.917 4.640 0.000 0.000 0.313 146 D C 1.049 177.455 176.300 0.178 0.000 1.225 146 D CA -0.920 53.240 54.000 0.268 0.000 0.976 146 D CB 0.604 41.508 40.800 0.173 0.000 1.443 146 D HN 0.195 nan 8.370 nan 0.000 0.515 147 I N -1.026 119.656 120.570 0.186 0.000 2.315 147 I HA -0.126 4.044 4.170 0.000 0.000 0.248 147 I C 2.342 178.512 176.117 0.088 0.000 1.117 147 I CA 0.739 62.123 61.300 0.141 0.000 1.404 147 I CB -0.245 37.862 38.000 0.178 0.000 1.071 147 I HN 0.319 nan 8.210 nan 0.000 0.419 148 R N 1.809 122.348 120.500 0.064 0.000 2.083 148 R HA -0.125 4.215 4.340 0.000 0.000 0.237 148 R C 2.209 178.494 176.300 -0.025 0.000 1.137 148 R CA 1.979 58.086 56.100 0.010 0.000 0.951 148 R CB -1.414 28.884 30.300 -0.004 0.000 0.851 148 R HN 0.333 nan 8.270 nan 0.000 0.434 149 G N -1.044 107.738 108.800 -0.030 0.000 2.469 149 G HA2 -0.275 3.685 3.960 0.000 0.000 0.219 149 G HA3 -0.275 3.685 3.960 0.000 0.000 0.219 149 G C 1.373 176.299 174.900 0.045 0.000 1.150 149 G CA 1.458 46.520 45.100 -0.063 0.000 0.763 149 G HN 0.456 nan 8.290 nan 0.000 0.561 150 T N 1.349 115.997 114.554 0.156 0.000 2.708 150 T HA -0.067 4.284 4.350 0.000 0.000 0.266 150 T C 2.403 177.206 174.700 0.171 0.000 1.037 150 T CA 1.139 63.423 62.100 0.308 0.000 1.146 150 T CB -0.179 68.834 68.868 0.242 0.000 0.865 150 T HN 0.275 nan 8.240 nan 0.000 0.435 151 I N 1.532 122.135 120.570 0.056 0.000 2.163 151 I HA -0.187 3.983 4.170 0.000 0.000 0.243 151 I C 2.158 178.236 176.117 -0.065 0.000 1.085 151 I CA 1.232 62.530 61.300 -0.003 0.000 1.347 151 I CB -0.468 37.519 38.000 -0.022 0.000 1.044 151 I HN 0.115 nan 8.210 nan 0.000 0.408 152 D N -0.195 120.108 120.400 -0.162 0.000 2.265 152 D HA -0.172 4.468 4.640 0.000 0.000 0.208 152 D C 1.464 177.428 176.300 -0.559 0.000 0.977 152 D CA 1.320 55.093 54.000 -0.379 0.000 0.871 152 D CB -0.232 40.249 40.800 -0.531 0.000 0.925 152 D HN 0.480 nan 8.370 nan 0.000 0.485 153 H N -0.801 118.199 119.070 -0.116 0.000 2.662 153 H HA 0.252 4.808 4.556 0.000 0.000 0.268 153 H C 1.772 177.188 175.328 0.148 0.000 1.152 153 H CA -0.149 55.853 56.048 -0.077 0.000 1.072 153 H CB 0.484 30.056 29.762 -0.317 0.000 1.660 153 H HN 0.109 nan 8.280 nan 0.000 0.584 154 L N 0.135 121.447 121.223 0.148 0.000 2.131 154 L HA -0.145 4.196 4.340 0.000 0.000 0.210 154 L C 1.816 178.742 176.870 0.093 0.000 1.092 154 L CA 1.148 56.053 54.840 0.108 0.000 0.759 154 L CB -0.020 42.062 42.059 0.038 0.000 0.903 154 L HN 0.141 nan 8.230 nan 0.000 0.435 155 D N -0.900 119.558 120.400 0.097 0.000 2.219 155 D HA -0.221 4.419 4.640 0.000 0.000 0.205 155 D C 1.874 178.264 176.300 0.150 0.000 0.970 155 D CA 1.119 55.173 54.000 0.090 0.000 0.851 155 D CB -0.006 40.835 40.800 0.069 0.000 0.943 155 D HN 0.378 nan 8.370 nan 0.000 0.488 156 Y N 1.780 122.158 120.300 0.130 0.000 2.200 156 Y HA -0.137 4.413 4.550 0.000 0.000 0.290 156 Y C 2.112 178.067 175.900 0.091 0.000 1.137 156 Y CA 1.131 59.345 58.100 0.190 0.000 1.163 156 Y CB -0.324 38.380 38.460 0.407 0.000 0.988 156 Y HN -0.132 nan 8.280 nan 0.000 0.518 157 I N 0.227 120.730 120.570 -0.112 0.000 2.202 157 I HA -0.247 3.923 4.170 0.000 0.000 0.242 157 I C 2.706 178.727 176.117 -0.159 0.000 1.091 157 I CA 1.205 62.281 61.300 -0.373 0.000 1.368 157 I CB -0.862 36.925 38.000 -0.355 0.000 1.058 157 I HN 0.294 nan 8.210 nan 0.000 0.410 158 A N 1.040 123.822 122.820 -0.063 0.000 1.933 158 A HA -0.116 4.204 4.320 0.000 0.000 0.218 158 A C 2.412 179.964 177.584 -0.053 0.000 1.175 158 A CA 1.889 53.906 52.037 -0.033 0.000 0.628 158 A CB -1.385 17.609 19.000 -0.010 0.000 0.814 158 A HN 0.481 nan 8.150 nan 0.000 0.444 159 G N -0.479 108.290 108.800 -0.052 0.000 2.422 159 G HA2 -0.112 3.848 3.960 0.000 0.000 0.218 159 G HA3 -0.112 3.848 3.960 0.000 0.000 0.218 159 G C 1.493 176.334 174.900 -0.098 0.000 1.140 159 G CA 0.830 45.904 45.100 -0.042 0.000 0.775 159 G HN 0.427 nan 8.290 nan 0.000 0.545 160 L N -0.010 121.098 121.223 -0.193 0.000 2.191 160 L HA 0.111 4.451 4.340 0.000 0.000 0.212 160 L C 2.078 178.761 176.870 -0.311 0.000 1.103 160 L CA 0.998 55.706 54.840 -0.220 0.000 0.769 160 L CB -0.037 41.897 42.059 -0.209 0.000 0.908 160 L HN 0.453 nan 8.230 nan 0.000 0.438 161 G N -1.495 107.137 108.800 -0.280 0.000 2.141 161 G HA2 -0.221 3.739 3.960 0.000 0.000 0.164 161 G HA3 -0.221 3.739 3.960 0.000 0.000 0.164 161 G C -0.120 174.509 174.900 -0.453 0.000 1.009 161 G CA -0.692 44.208 45.100 -0.333 0.000 0.677 161 G HN 0.085 nan 8.290 nan 0.000 0.508 162 F N 0.977 120.852 119.950 -0.125 0.000 2.399 162 F HA 0.592 5.119 4.527 0.000 0.000 0.334 162 F C 1.545 177.307 175.800 -0.064 0.000 1.097 162 F CA 0.350 58.303 58.000 -0.079 0.000 1.076 162 F CB 2.003 40.953 39.000 -0.084 0.000 1.162 162 F HN 0.069 nan 8.300 nan 0.000 0.495 163 T N -1.921 112.723 114.554 0.151 0.000 3.043 163 T HA 0.294 4.644 4.350 0.000 0.000 0.272 163 T C 0.059 174.800 174.700 0.068 0.000 0.990 163 T CA -0.218 61.921 62.100 0.064 0.000 0.897 163 T CB 0.135 69.012 68.868 0.015 0.000 1.111 163 T HN 0.397 nan 8.240 nan 0.000 0.529 164 Q N 0.787 120.650 119.800 0.106 0.000 2.345 164 Q HA 0.597 4.937 4.340 0.000 0.000 0.275 164 Q C -1.991 174.044 176.000 0.059 0.000 1.063 164 Q CA -0.756 55.079 55.803 0.053 0.000 0.819 164 Q CB 3.108 31.849 28.738 0.006 0.000 1.356 164 Q HN 0.288 nan 8.270 nan 0.000 0.418 165 L N 2.600 123.836 121.223 0.021 0.000 2.343 165 L HA 0.569 4.909 4.340 0.000 0.000 0.278 165 L C -1.767 175.139 176.870 0.061 0.000 0.996 165 L CA -0.307 54.547 54.840 0.023 0.000 0.831 165 L CB 1.077 43.126 42.059 -0.017 0.000 1.232 165 L HN 0.683 nan 8.230 nan 0.000 0.413 166 W N 9.920 131.131 121.300 -0.149 0.000 2.322 166 W HA 0.663 5.323 4.660 0.000 0.000 0.321 166 W C -2.740 173.687 176.519 -0.155 0.000 0.991 166 W CA -2.975 54.274 57.345 -0.160 0.000 1.448 166 W CB 0.770 30.115 29.460 -0.191 0.000 1.239 166 W HN 0.389 nan 8.180 nan 0.000 0.399 167 P HA 0.230 nan 4.420 nan 0.000 0.294 167 P C 0.215 177.410 177.300 -0.175 0.000 1.294 167 P CA -0.074 62.897 63.100 -0.214 0.000 0.827 167 P CB 1.350 32.988 31.700 -0.103 0.000 0.992 168 T N 0.897 115.230 114.554 -0.368 0.000 2.855 168 T HA 0.190 4.540 4.350 0.000 0.000 0.314 168 T C -2.278 172.212 174.700 -0.350 0.000 1.077 168 T CA -1.501 60.411 62.100 -0.313 0.000 1.095 168 T CB -1.125 67.478 68.868 -0.440 0.000 0.987 168 T HN 0.222 nan 8.240 nan 0.000 0.546 169 P HA 0.097 nan 4.420 nan 0.000 0.260 169 P C -0.044 177.028 177.300 -0.379 0.000 1.172 169 P CA 0.034 62.887 63.100 -0.411 0.000 0.760 169 P CB 0.123 31.537 31.700 -0.477 0.000 0.773 170 L N 3.412 124.382 121.223 -0.422 0.000 2.667 170 L HA 0.106 4.446 4.340 0.000 0.000 0.232 170 L C 0.731 177.493 176.870 -0.180 0.000 1.138 170 L CA 0.153 54.755 54.840 -0.396 0.000 0.921 170 L CB 0.028 41.796 42.059 -0.485 0.000 1.180 170 L HN 0.148 nan 8.230 nan 0.000 0.487 171 V N 0.627 120.395 119.914 -0.243 0.000 2.843 171 V HA -0.058 4.062 4.120 0.000 0.000 0.305 171 V C 1.011 177.088 176.094 -0.028 0.000 1.065 171 V CA -0.319 61.900 62.300 -0.134 0.000 1.116 171 V CB 1.092 32.808 31.823 -0.179 0.000 0.968 171 V HN 0.316 nan 8.190 nan 0.000 0.487 172 E N 4.117 124.323 120.200 0.009 0.000 2.558 172 E HA -0.074 4.276 4.350 0.000 0.000 0.255 172 E C 0.139 176.716 176.600 -0.037 0.000 0.968 172 E CA 0.318 56.720 56.400 0.003 0.000 0.939 172 E CB 0.120 29.826 29.700 0.008 0.000 0.921 172 E HN 0.645 nan 8.360 nan 0.000 0.477 173 N N 4.473 123.158 118.700 -0.024 0.000 2.599 173 N HA -0.007 4.734 4.740 0.000 0.000 0.309 173 N C -1.118 174.383 175.510 -0.014 0.000 1.743 173 N CA -0.263 52.771 53.050 -0.027 0.000 0.918 173 N CB 0.462 38.920 38.487 -0.048 0.000 1.339 173 N HN 0.436 nan 8.380 nan 0.000 0.493 174 D N 1.979 122.373 120.400 -0.010 0.000 2.598 174 D HA 0.103 4.743 4.640 0.000 0.000 0.231 174 D C -0.303 175.991 176.300 -0.010 0.000 1.127 174 D CA 0.151 54.138 54.000 -0.022 0.000 1.126 174 D CB -0.219 40.564 40.800 -0.028 0.000 1.124 174 D HN 0.320 nan 8.370 nan 0.000 0.485 175 A N 1.386 124.216 122.820 0.015 0.000 2.322 175 A HA 0.706 5.026 4.320 0.000 0.000 0.327 175 A C 1.203 178.772 177.584 -0.024 0.000 1.134 175 A CA -0.113 51.976 52.037 0.086 0.000 0.831 175 A CB 1.361 20.475 19.000 0.190 0.000 1.288 175 A HN 0.341 nan 8.150 nan 0.000 0.472 176 A N 0.154 122.962 122.820 -0.021 0.000 1.969 176 A HA 0.436 4.757 4.320 0.000 0.000 0.218 176 A C 1.193 178.737 177.584 -0.066 0.000 1.169 176 A CA 1.963 53.969 52.037 -0.052 0.000 0.635 176 A CB -0.427 18.563 19.000 -0.017 0.000 0.810 176 A HN 2.101 nan 8.150 nan 0.000 0.445 177 A N -3.769 119.024 122.820 -0.045 0.000 2.527 177 A HA 0.579 4.899 4.320 0.000 0.000 0.293 177 A C -0.288 177.280 177.584 -0.028 0.000 1.117 177 A CA -0.599 51.332 52.037 -0.175 0.000 0.723 177 A CB 0.169 18.962 19.000 -0.344 0.000 1.313 177 A HN 0.836 nan 8.150 nan 0.000 0.411 178 Y N 0.266 120.637 120.300 0.119 0.000 3.054 178 Y HA -0.258 4.292 4.550 0.000 0.000 0.210 178 Y C 1.726 177.573 175.900 -0.088 0.000 1.212 178 Y CA 0.949 59.158 58.100 0.183 0.000 1.118 178 Y CB -2.349 36.273 38.460 0.270 0.000 1.292 178 Y HN 0.888 nan 8.280 nan 0.000 0.533 179 S N -1.985 113.756 115.700 0.068 0.000 2.548 179 S HA -0.048 4.422 4.470 0.000 0.000 0.215 179 S C 1.597 176.148 174.600 -0.082 0.000 0.976 179 S CA 0.267 58.422 58.200 -0.075 0.000 0.908 179 S CB -0.508 62.680 63.200 -0.020 0.000 0.781 179 S HN 0.631 nan 8.310 nan 0.000 0.519 180 Y N 2.996 123.277 120.300 -0.032 0.000 2.293 180 Y HA -0.057 4.493 4.550 0.000 0.000 0.291 180 Y C 2.406 178.389 175.900 0.138 0.000 1.137 180 Y CA 1.245 59.397 58.100 0.087 0.000 1.202 180 Y CB -1.341 37.201 38.460 0.136 0.000 0.990 180 Y HN 0.591 nan 8.280 nan 0.000 0.537 181 H N -1.209 117.484 119.070 -0.629 0.000 2.462 181 H HA 0.210 4.766 4.556 0.000 0.000 0.292 181 H C 1.934 177.145 175.328 -0.194 0.000 1.049 181 H CA 0.818 56.587 56.048 -0.465 0.000 1.334 181 H CB -0.353 29.151 29.762 -0.429 0.000 1.404 181 H HN 0.510 nan 8.280 nan 0.000 0.544 182 G N 0.626 109.336 108.800 -0.150 0.000 2.195 182 G HA2 -0.321 3.639 3.960 0.000 0.000 0.246 182 G HA3 -0.321 3.639 3.960 0.000 0.000 0.246 182 G C 0.389 175.201 174.900 -0.146 0.000 0.984 182 G CA 0.321 45.324 45.100 -0.161 0.000 0.633 182 G HN 0.523 nan 8.290 nan 0.000 0.525 183 Y N 1.013 121.475 120.300 0.271 0.000 2.502 183 Y HA 0.532 5.082 4.550 0.000 0.000 0.295 183 Y C 1.790 177.787 175.900 0.163 0.000 1.193 183 Y CA 0.846 59.061 58.100 0.192 0.000 1.295 183 Y CB 0.516 39.083 38.460 0.177 0.000 1.059 183 Y HN 0.575 nan 8.280 nan 0.000 0.514 184 A N 0.553 123.506 122.820 0.222 0.000 2.802 184 A HA 0.730 5.050 4.320 0.000 0.000 0.344 184 A C 0.147 177.751 177.584 0.034 0.000 1.215 184 A CA -0.615 51.522 52.037 0.167 0.000 0.821 184 A CB -0.628 18.492 19.000 0.201 0.000 1.099 184 A HN 0.189 nan 8.150 nan 0.000 0.479 185 A N 1.552 124.340 122.820 -0.054 0.000 2.548 185 A HA 0.432 4.752 4.320 0.000 0.000 0.247 185 A C 1.312 178.841 177.584 -0.091 0.000 1.067 185 A CA 0.908 52.831 52.037 -0.191 0.000 0.757 185 A CB -0.124 18.551 19.000 -0.541 0.000 0.996 185 A HN 1.391 nan 8.150 nan 0.000 0.504 186 T N -1.521 112.930 114.554 -0.172 0.000 3.003 186 T HA 0.293 4.644 4.350 0.000 0.000 0.261 186 T C -0.137 174.147 174.700 -0.693 0.000 1.003 186 T CA 0.504 62.425 62.100 -0.298 0.000 0.917 186 T CB 0.177 68.992 68.868 -0.089 0.000 1.084 186 T HN 0.622 nan 8.240 nan 0.000 0.522 187 D N 0.159 120.290 120.400 -0.448 0.000 2.419 187 D HA 0.130 4.770 4.640 0.000 0.000 0.219 187 D C 0.050 176.340 176.300 -0.018 0.000 1.349 187 D CA -0.373 53.504 54.000 -0.205 0.000 0.964 187 D CB 0.846 41.654 40.800 0.012 0.000 1.463 187 D HN 0.092 nan 8.370 nan 0.000 0.573 188 H N 2.343 121.520 119.070 0.179 0.000 2.524 188 H HA -0.031 4.525 4.556 0.000 0.000 0.282 188 H C 0.302 175.741 175.328 0.185 0.000 1.016 188 H CA 0.889 57.063 56.048 0.210 0.000 1.270 188 H CB 0.777 30.683 29.762 0.241 0.000 1.394 188 H HN 0.453 nan 8.280 nan 0.000 0.568 189 Y N -0.099 120.358 120.300 0.263 0.000 2.555 189 Y HA 0.247 4.797 4.550 0.000 0.000 0.259 189 Y C 0.724 176.686 175.900 0.105 0.000 1.179 189 Y CA -0.126 57.946 58.100 -0.047 0.000 1.230 189 Y CB 0.862 39.103 38.460 -0.365 0.000 1.146 189 Y HN -0.128 nan 8.280 nan 0.000 0.526 190 R N 0.766 121.505 120.500 0.399 0.000 2.574 190 R HA 0.350 4.690 4.340 0.000 0.000 0.288 190 R C -1.247 175.259 176.300 0.343 0.000 1.004 190 R CA -0.725 55.587 56.100 0.353 0.000 0.895 190 R CB 1.145 31.574 30.300 0.214 0.000 1.191 190 R HN -0.040 nan 8.270 nan 0.000 0.444 191 I N 3.340 124.130 120.570 0.366 0.000 2.598 191 I HA -0.050 4.120 4.170 0.000 0.000 0.284 191 I C 0.716 176.945 176.117 0.187 0.000 1.140 191 I CA 0.255 61.683 61.300 0.213 0.000 1.420 191 I CB 0.361 38.496 38.000 0.226 0.000 1.387 191 I HN 0.632 nan 8.210 nan 0.000 0.553 192 D N 10.124 130.627 120.400 0.173 0.000 2.581 192 D HA -0.053 4.587 4.640 0.000 0.000 0.238 192 D C -1.372 174.973 176.300 0.075 0.000 1.145 192 D CA -0.829 53.232 54.000 0.102 0.000 0.866 192 D CB 1.345 42.185 40.800 0.067 0.000 1.151 192 D HN 0.319 nan 8.370 nan 0.000 0.500 193 P HA -0.128 nan 4.420 nan 0.000 0.221 193 P C 0.966 178.266 177.300 0.001 0.000 1.145 193 P CA 0.845 63.971 63.100 0.042 0.000 0.795 193 P CB 0.226 31.942 31.700 0.026 0.000 0.775 194 R N -1.731 118.707 120.500 -0.104 0.000 2.235 194 R HA -0.046 4.294 4.340 0.000 0.000 0.213 194 R C 1.859 178.057 176.300 -0.171 0.000 1.059 194 R CA 0.938 56.935 56.100 -0.172 0.000 0.997 194 R CB -0.456 29.679 30.300 -0.275 0.000 0.884 194 R HN 0.288 nan 8.270 nan 0.000 0.462 195 Y N -0.726 119.613 120.300 0.065 0.000 2.476 195 Y HA 0.290 4.840 4.550 0.000 0.000 0.283 195 Y C 1.419 177.371 175.900 0.086 0.000 1.109 195 Y CA 0.518 58.663 58.100 0.074 0.000 1.246 195 Y CB 0.572 39.072 38.460 0.068 0.000 1.068 195 Y HN 0.155 nan 8.280 nan 0.000 0.552 196 G N -0.655 108.276 108.800 0.218 0.000 2.302 196 G HA2 0.208 4.168 3.960 0.000 0.000 0.276 196 G HA3 0.208 4.168 3.960 0.000 0.000 0.276 196 G C -0.901 174.115 174.900 0.194 0.000 1.316 196 G CA -0.546 44.663 45.100 0.182 0.000 0.988 196 G HN 0.287 nan 8.290 nan 0.000 0.479 197 S N -0.609 115.212 115.700 0.201 0.000 2.730 197 S HA 0.537 5.007 4.470 0.000 0.000 0.284 197 S C 1.145 175.940 174.600 0.325 0.000 1.153 197 S CA 0.153 58.490 58.200 0.229 0.000 0.995 197 S CB 1.634 64.948 63.200 0.191 0.000 1.058 197 S HN 0.599 nan 8.310 nan 0.000 0.552 198 N N 1.085 120.023 118.700 0.396 0.000 2.104 198 N HA -0.114 4.626 4.740 0.000 0.000 0.190 198 N C 1.547 177.384 175.510 0.545 0.000 1.024 198 N CA 1.613 55.019 53.050 0.593 0.000 0.853 198 N CB -0.767 38.123 38.487 0.671 0.000 1.008 198 N HN 0.826 nan 8.380 nan 0.000 0.424 199 E N 0.734 121.169 120.200 0.392 0.000 2.118 199 E HA -0.148 4.203 4.350 0.000 0.000 0.195 199 E C 0.944 177.651 176.600 0.179 0.000 0.992 199 E CA 1.215 57.764 56.400 0.248 0.000 0.804 199 E CB -0.089 29.724 29.700 0.188 0.000 0.741 199 E HN 0.280 nan 8.360 nan 0.000 0.458 200 D N -0.743 119.785 120.400 0.212 0.000 2.144 200 D HA -0.150 4.490 4.640 0.000 0.000 0.200 200 D C 1.505 177.922 176.300 0.195 0.000 0.978 200 D CA 0.655 54.759 54.000 0.173 0.000 0.833 200 D CB -0.323 40.586 40.800 0.181 0.000 0.961 200 D HN 0.227 nan 8.370 nan 0.000 0.470 201 F N 0.978 121.006 119.950 0.130 0.000 2.325 201 F HA -0.114 4.413 4.527 0.000 0.000 0.299 201 F C 2.024 177.853 175.800 0.047 0.000 1.090 201 F CA 0.633 58.698 58.000 0.109 0.000 1.392 201 F CB 0.078 39.199 39.000 0.201 0.000 1.053 201 F HN -0.226 nan 8.300 nan 0.000 0.521 202 V N 0.267 120.201 119.914 0.034 0.000 2.453 202 V HA -0.196 3.924 4.120 0.000 0.000 0.247 202 V C 2.582 178.590 176.094 -0.143 0.000 1.048 202 V CA 1.692 63.895 62.300 -0.161 0.000 1.049 202 V CB -0.629 31.034 31.823 -0.267 0.000 0.672 202 V HN 0.221 nan 8.190 nan 0.000 0.457 203 R N -0.342 120.118 120.500 -0.068 0.000 2.081 203 R HA -0.160 4.180 4.340 0.000 0.000 0.235 203 R C 2.296 178.542 176.300 -0.091 0.000 1.131 203 R CA 1.566 57.632 56.100 -0.057 0.000 0.960 203 R CB -0.420 29.874 30.300 -0.010 0.000 0.856 203 R HN 0.422 nan 8.270 nan 0.000 0.436 204 L N 0.422 121.572 121.223 -0.123 0.000 2.079 204 L HA -0.168 4.173 4.340 0.000 0.000 0.210 204 L C 2.237 178.980 176.870 -0.211 0.000 1.081 204 L CA 2.038 56.779 54.840 -0.164 0.000 0.752 204 L CB -0.703 41.223 42.059 -0.222 0.000 0.896 204 L HN 0.042 nan 8.230 nan 0.000 0.433 205 S N -1.754 113.778 115.700 -0.281 0.000 2.377 205 S HA -0.144 4.326 4.470 0.000 0.000 0.223 205 S C 2.002 176.512 174.600 -0.151 0.000 1.030 205 S CA 1.437 59.492 58.200 -0.241 0.000 0.970 205 S CB -0.505 62.525 63.200 -0.284 0.000 0.830 205 S HN 0.775 nan 8.310 nan 0.000 0.473 206 T N -0.299 114.176 114.554 -0.131 0.000 2.821 206 T HA 0.039 4.389 4.350 0.000 0.000 0.267 206 T C 1.644 176.300 174.700 -0.072 0.000 1.046 206 T CA 0.959 63.004 62.100 -0.092 0.000 1.139 206 T CB -0.414 68.407 68.868 -0.079 0.000 0.871 206 T HN 0.243 nan 8.240 nan 0.000 0.454 207 E N 1.838 121.995 120.200 -0.072 0.000 2.047 207 E HA 0.087 4.437 4.350 0.000 0.000 0.191 207 E C 2.662 179.232 176.600 -0.050 0.000 0.987 207 E CA 1.305 57.672 56.400 -0.055 0.000 0.799 207 E CB -0.797 28.873 29.700 -0.049 0.000 0.752 207 E HN 0.665 nan 8.360 nan 0.000 0.449 208 A N 1.311 124.093 122.820 -0.063 0.000 1.972 208 A HA -0.195 4.125 4.320 0.000 0.000 0.219 208 A C 2.208 179.764 177.584 -0.046 0.000 1.169 208 A CA 1.757 53.763 52.037 -0.052 0.000 0.635 208 A CB -0.408 18.551 19.000 -0.068 0.000 0.810 208 A HN 0.072 nan 8.150 nan 0.000 0.446 209 R N 0.279 120.745 120.500 -0.056 0.000 2.096 209 R HA -0.079 4.261 4.340 0.000 0.000 0.235 209 R C 1.864 178.142 176.300 -0.037 0.000 1.127 209 R CA 1.853 57.925 56.100 -0.048 0.000 0.968 209 R CB -0.355 29.911 30.300 -0.057 0.000 0.861 209 R HN 0.542 nan 8.270 nan 0.000 0.440 210 K N -0.682 119.697 120.400 -0.036 0.000 2.360 210 K HA -0.111 4.210 4.320 0.000 0.000 0.201 210 K C 1.290 177.877 176.600 -0.022 0.000 1.046 210 K CA 1.171 57.441 56.287 -0.028 0.000 0.945 210 K CB 0.092 32.575 32.500 -0.028 0.000 0.750 210 K HN 0.013 nan 8.250 nan 0.000 0.464 211 R N -0.844 119.643 120.500 -0.021 0.000 2.432 211 R HA 0.121 4.461 4.340 0.000 0.000 0.260 211 R C 0.525 176.816 176.300 -0.016 0.000 0.935 211 R CA 0.454 56.545 56.100 -0.015 0.000 1.080 211 R CB 0.906 31.200 30.300 -0.010 0.000 1.155 211 R HN 0.253 nan 8.270 nan 0.000 0.531 212 G N 0.816 109.604 108.800 -0.020 0.000 2.160 212 G HA2 -0.318 3.642 3.960 0.000 0.000 0.244 212 G HA3 -0.318 3.642 3.960 0.000 0.000 0.244 212 G C -0.081 174.809 174.900 -0.016 0.000 1.022 212 G CA 0.239 45.327 45.100 -0.020 0.000 0.741 212 G HN 0.290 nan 8.290 nan 0.000 0.508 213 M N 0.793 120.383 119.600 -0.017 0.000 2.294 213 M HA 0.589 5.069 4.480 0.000 0.000 0.335 213 M C 0.810 177.098 176.300 -0.020 0.000 1.079 213 M CA -0.014 55.281 55.300 -0.009 0.000 0.982 213 M CB 1.302 33.898 32.600 -0.007 0.000 1.651 213 M HN 0.270 nan 8.290 nan 0.000 0.437 214 G N 3.097 111.894 108.800 -0.006 0.000 2.451 214 G HA2 0.563 4.523 3.960 0.000 0.000 0.303 214 G HA3 0.563 4.523 3.960 0.000 0.000 0.303 214 G C -1.770 173.112 174.900 -0.030 0.000 1.166 214 G CA -0.554 44.538 45.100 -0.014 0.000 0.884 214 G HN 0.591 nan 8.290 nan 0.000 0.514 215 L N 1.009 122.201 121.223 -0.053 0.000 2.313 215 L HA 0.622 4.962 4.340 0.000 0.000 0.283 215 L C -0.578 176.274 176.870 -0.030 0.000 1.013 215 L CA -0.693 54.105 54.840 -0.070 0.000 0.816 215 L CB 1.411 43.370 42.059 -0.166 0.000 1.236 215 L HN 0.388 nan 8.230 nan 0.000 0.419 216 I N 4.519 125.083 120.570 -0.009 0.000 2.355 216 I HA 0.348 4.518 4.170 0.000 0.000 0.288 216 I C -0.168 175.983 176.117 0.057 0.000 0.999 216 I CA -0.461 60.830 61.300 -0.015 0.000 1.163 216 I CB 1.570 39.461 38.000 -0.181 0.000 1.316 216 I HN 0.605 nan 8.210 nan 0.000 0.454 217 Q N 4.821 124.661 119.800 0.067 0.000 2.288 217 Q HA 0.104 4.444 4.340 0.000 0.000 0.254 217 Q C -0.684 175.329 176.000 0.021 0.000 0.932 217 Q CA -0.499 55.352 55.803 0.080 0.000 0.902 217 Q CB 1.176 29.945 28.738 0.052 0.000 1.203 217 Q HN 0.450 nan 8.270 nan 0.000 0.415 218 D N 3.293 123.727 120.400 0.056 0.000 2.316 218 D HA 0.236 4.876 4.640 0.000 0.000 0.245 218 D C -1.117 175.171 176.300 -0.019 0.000 1.171 218 D CA -0.210 53.829 54.000 0.066 0.000 0.856 218 D CB 0.856 41.808 40.800 0.252 0.000 1.090 218 D HN 0.339 nan 8.370 nan 0.000 0.476 219 V N 1.630 121.561 119.914 0.029 0.000 2.555 219 V HA 0.670 4.790 4.120 0.000 0.000 0.302 219 V C -0.262 175.873 176.094 0.068 0.000 1.038 219 V CA -0.896 61.429 62.300 0.041 0.000 0.887 219 V CB 1.749 33.638 31.823 0.110 0.000 0.991 219 V HN 0.197 nan 8.190 nan 0.000 0.434 220 V N 5.730 125.670 119.914 0.044 0.000 2.384 220 V HA 0.442 4.562 4.120 0.000 0.000 0.287 220 V C 0.531 176.627 176.094 0.003 0.000 1.020 220 V CA -0.247 62.049 62.300 -0.007 0.000 0.850 220 V CB 1.326 33.076 31.823 -0.121 0.000 0.987 220 V HN 0.918 nan 8.190 nan 0.000 0.436 221 L N 2.643 123.846 121.223 -0.035 0.000 2.642 221 L HA 0.067 4.407 4.340 0.000 0.000 0.233 221 L C 2.279 179.100 176.870 -0.082 0.000 1.077 221 L CA 0.726 55.544 54.840 -0.036 0.000 0.879 221 L CB 0.264 42.284 42.059 -0.065 0.000 1.151 221 L HN 0.784 nan 8.230 nan 0.000 0.495 222 S N -0.700 114.968 115.700 -0.054 0.000 2.377 222 S HA -0.034 4.436 4.470 0.000 0.000 0.223 222 S C 0.737 175.362 174.600 0.042 0.000 1.030 222 S CA 0.259 58.472 58.200 0.022 0.000 0.970 222 S CB -0.359 62.984 63.200 0.240 0.000 0.830 222 S HN 0.539 nan 8.310 nan 0.000 0.473 223 H N 0.091 119.170 119.070 0.015 0.000 2.985 223 H HA 0.745 5.301 4.556 0.000 0.000 0.360 223 H C -0.571 174.773 175.328 0.027 0.000 1.221 223 H CA -1.227 54.805 56.048 -0.027 0.000 1.121 223 H CB 1.324 31.095 29.762 0.014 0.000 1.854 223 H HN 0.401 nan 8.280 nan 0.000 0.551 224 I N -1.244 119.374 120.570 0.080 0.000 3.436 224 I HA 0.808 4.978 4.170 0.000 0.000 0.300 224 I C 0.156 176.331 176.117 0.097 0.000 1.131 224 I CA -1.434 59.906 61.300 0.068 0.000 1.001 224 I CB 1.941 39.963 38.000 0.036 0.000 1.305 224 I HN 0.636 nan 8.210 nan 0.000 0.494 225 G N 0.384 109.240 108.800 0.092 0.000 2.412 225 G HA2 0.330 4.291 3.960 0.000 0.000 0.318 225 G HA3 0.330 4.291 3.960 0.000 0.000 0.318 225 G C 0.343 175.275 174.900 0.054 0.000 1.146 225 G CA -0.674 44.480 45.100 0.090 0.000 0.882 225 G HN 0.905 nan 8.290 nan 0.000 0.501 226 K N -0.609 119.782 120.400 -0.016 0.000 2.362 226 K HA -0.062 4.258 4.320 0.000 0.000 0.200 226 K C 0.658 177.154 176.600 -0.174 0.000 1.046 226 K CA 1.030 57.252 56.287 -0.108 0.000 0.952 226 K CB 0.013 32.403 32.500 -0.184 0.000 0.753 226 K HN 0.494 nan 8.250 nan 0.000 0.466 227 H N 0.089 119.213 119.070 0.090 0.000 2.520 227 H HA 0.082 4.638 4.556 0.000 0.000 0.284 227 H C -0.131 175.239 175.328 0.071 0.000 1.037 227 H CA -0.254 55.840 56.048 0.078 0.000 1.168 227 H CB -0.220 29.573 29.762 0.052 0.000 1.497 227 H HN 0.255 nan 8.280 nan 0.000 0.547 228 H N 1.811 120.898 119.070 0.028 0.000 3.001 228 H HA -0.124 4.433 4.556 0.000 0.000 0.334 228 H C 1.196 176.469 175.328 -0.092 0.000 1.034 228 H CA 0.162 56.133 56.048 -0.129 0.000 1.420 228 H CB 0.509 30.104 29.762 -0.277 0.000 1.405 228 H HN 0.524 nan 8.280 nan 0.000 0.593 229 W N 4.756 125.996 121.300 -0.101 0.000 2.538 229 W HA -0.120 4.540 4.660 0.000 0.000 0.254 229 W C 0.804 177.424 176.519 0.168 0.000 1.249 229 W CA -0.364 56.988 57.345 0.012 0.000 1.253 229 W CB -0.977 28.435 29.460 -0.080 0.000 1.130 229 W HN 0.549 nan 8.180 nan 0.000 0.618 230 W N 1.036 122.117 121.300 -0.366 0.000 2.363 230 W HA -0.150 4.510 4.660 0.001 0.000 0.296 230 W C 2.414 178.820 176.519 -0.188 0.000 1.212 230 W CA 0.723 57.771 57.345 -0.495 0.000 1.260 230 W CB -1.193 27.825 29.460 -0.736 0.000 1.131 230 W HN -0.123 nan 8.180 nan 0.000 0.530 231 M N 0.620 120.321 119.600 0.168 0.000 2.296 231 M HA -0.135 4.346 4.480 0.000 0.000 0.265 231 M C 1.557 177.936 176.300 0.132 0.000 1.064 231 M CA 1.494 56.873 55.300 0.131 0.000 1.109 231 M CB -1.414 31.259 32.600 0.122 0.000 1.396 231 M HN 0.133 nan 8.290 nan 0.000 0.430 232 K N -0.617 119.885 120.400 0.169 0.000 2.469 232 K HA 0.133 4.453 4.320 0.000 0.000 0.201 232 K C -0.379 176.327 176.600 0.177 0.000 1.028 232 K CA 0.279 56.664 56.287 0.164 0.000 1.170 232 K CB 0.351 32.957 32.500 0.177 0.000 0.874 232 K HN -0.074 nan 8.250 nan 0.000 0.507 233 D N 0.963 121.470 120.400 0.178 0.000 3.709 233 D HA 0.109 4.750 4.640 0.000 0.000 0.246 233 D C -1.002 175.387 176.300 0.148 0.000 1.445 233 D CA -0.276 53.850 54.000 0.211 0.000 0.861 233 D CB -0.037 40.956 40.800 0.323 0.000 1.433 233 D HN 0.137 nan 8.370 nan 0.000 0.723 234 L N 1.582 122.805 121.223 0.000 0.000 2.601 234 L HA 0.093 4.433 4.340 0.000 0.000 0.277 234 L C -1.004 175.617 176.870 -0.415 0.000 1.219 234 L CA -0.702 54.006 54.840 -0.221 0.000 0.915 234 L CB 0.612 42.602 42.059 -0.114 0.000 1.160 234 L HN 0.136 nan 8.230 nan 0.000 0.494 235 P HA -0.078 nan 4.420 nan 0.000 0.216 235 P C 0.031 176.998 177.300 -0.555 0.000 1.153 235 P CA 1.056 63.319 63.100 -1.396 0.000 0.848 235 P CB 0.172 30.478 31.700 -2.322 0.000 0.787 236 T N -7.308 107.048 114.554 -0.329 0.000 2.883 236 T HA 0.435 4.785 4.350 0.000 0.000 0.301 236 T C -2.572 172.110 174.700 -0.030 0.000 1.158 236 T CA -2.086 59.967 62.100 -0.079 0.000 1.007 236 T CB 1.562 70.450 68.868 0.032 0.000 1.186 236 T HN -0.289 nan 8.240 nan 0.000 0.499 237 P HA 0.038 nan 4.420 nan 0.000 0.225 237 P C 0.484 177.786 177.300 0.004 0.000 1.148 237 P CA 0.919 64.020 63.100 0.002 0.000 0.779 237 P CB -0.036 31.664 31.700 0.000 0.000 0.780 238 D N -3.103 117.292 120.400 -0.009 0.000 2.593 238 D HA -0.044 4.596 4.640 0.000 0.000 0.241 238 D C 1.126 177.379 176.300 -0.079 0.000 1.257 238 D CA -0.637 53.333 54.000 -0.051 0.000 0.828 238 D CB -1.228 39.520 40.800 -0.087 0.000 1.049 238 D HN 0.189 nan 8.370 nan 0.000 0.490 239 W N 1.882 123.031 121.300 -0.253 0.000 2.418 239 W HA 0.090 4.750 4.660 0.000 0.000 0.292 239 W C 0.290 176.622 176.519 -0.311 0.000 1.213 239 W CA 0.597 57.724 57.345 -0.363 0.000 1.283 239 W CB 0.345 29.501 29.460 -0.506 0.000 1.119 239 W HN 0.015 nan 8.180 nan 0.000 0.542 240 I N -0.796 119.766 120.570 -0.013 0.000 2.707 240 I HA 0.400 4.570 4.170 0.000 0.000 0.309 240 I C -0.156 175.959 176.117 -0.005 0.000 1.001 240 I CA -0.955 60.326 61.300 -0.031 0.000 1.129 240 I CB 0.951 39.006 38.000 0.092 0.000 1.308 240 I HN -0.278 nan 8.210 nan 0.000 0.466 241 N N 2.638 121.353 118.700 0.024 0.000 2.518 241 N HA 0.270 5.010 4.740 0.000 0.000 0.283 241 N C -1.319 174.336 175.510 0.242 0.000 1.119 241 N CA -0.020 53.008 53.050 -0.036 0.000 0.983 241 N CB 0.560 38.940 38.487 -0.179 0.000 1.139 241 N HN 0.660 nan 8.380 nan 0.000 0.465 242 Y N -0.918 119.466 120.300 0.140 0.000 2.789 242 Y HA -0.222 4.328 4.550 0.000 0.000 0.100 242 Y C 1.561 177.497 175.900 0.060 0.000 1.859 242 Y CA 0.507 58.632 58.100 0.041 0.000 1.160 242 Y CB -1.649 36.755 38.460 -0.092 0.000 1.799 242 Y HN 0.735 nan 8.280 nan 0.000 0.304 243 G N 2.199 111.100 108.800 0.169 0.000 2.910 243 G HA2 -0.010 3.950 3.960 0.000 0.000 0.206 243 G HA3 -0.010 3.950 3.960 0.000 0.000 0.206 243 G C 1.509 176.459 174.900 0.083 0.000 1.406 243 G CA 1.082 46.260 45.100 0.131 0.000 0.816 243 G HN 0.971 nan 8.290 nan 0.000 0.669 244 G N 0.252 109.077 108.800 0.042 0.000 2.733 244 G HA2 -0.025 3.935 3.960 0.000 0.000 0.213 244 G HA3 -0.025 3.935 3.960 0.000 0.000 0.213 244 G C 0.863 175.738 174.900 -0.041 0.000 1.351 244 G CA 0.601 45.706 45.100 0.009 0.000 0.853 244 G HN 0.547 nan 8.290 nan 0.000 0.590 245 K N 0.461 120.827 120.400 -0.058 0.000 2.524 245 K HA 0.002 4.322 4.320 0.000 0.000 0.279 245 K C -0.804 175.682 176.600 -0.190 0.000 0.993 245 K CA -0.478 55.750 56.287 -0.098 0.000 1.030 245 K CB 0.075 32.509 32.500 -0.111 0.000 0.891 245 K HN 0.080 nan 8.250 nan 0.000 0.488 246 F N 5.775 125.519 119.950 -0.342 0.000 2.444 246 F HA 0.205 4.733 4.527 0.000 0.000 0.360 246 F C -0.804 174.707 175.800 -0.483 0.000 1.106 246 F CA -0.545 57.142 58.000 -0.521 0.000 1.170 246 F CB 0.574 39.336 39.000 -0.397 0.000 1.113 246 F HN 0.085 nan 8.300 nan 0.000 0.521 247 V N 9.034 128.218 119.914 -1.218 0.000 2.284 247 V HA 0.325 4.445 4.120 0.000 0.000 0.274 247 V C -2.107 173.338 176.094 -1.082 0.000 1.023 247 V CA -1.667 59.958 62.300 -1.125 0.000 0.808 247 V CB 0.613 31.682 31.823 -1.255 0.000 1.035 247 V HN 0.638 nan 8.190 nan 0.000 0.445 248 P HA 0.154 nan 4.420 nan 0.000 0.274 248 P C 0.096 177.176 177.300 -0.367 0.000 1.231 248 P CA 0.079 62.801 63.100 -0.631 0.000 0.790 248 P CB 1.048 32.475 31.700 -0.455 0.000 0.951 249 T N 1.799 116.169 114.554 -0.306 0.000 2.913 249 T HA 0.066 4.416 4.350 0.000 0.000 0.297 249 T C 0.926 175.371 174.700 -0.425 0.000 1.029 249 T CA -0.124 61.761 62.100 -0.358 0.000 1.104 249 T CB -0.095 68.493 68.868 -0.466 0.000 0.964 249 T HN 0.247 nan 8.240 nan 0.000 0.532 250 Q N 2.108 121.682 119.800 -0.376 0.000 2.198 250 Q HA 0.114 4.455 4.340 0.000 0.000 0.209 250 Q C 0.132 175.885 176.000 -0.412 0.000 0.848 250 Q CA -0.018 55.555 55.803 -0.383 0.000 0.974 250 Q CB 0.001 28.479 28.738 -0.434 0.000 1.115 250 Q HN 0.909 nan 8.270 nan 0.000 0.494 251 H N -1.081 117.918 119.070 -0.119 0.000 2.958 251 H HA -0.166 4.391 4.556 0.000 0.000 0.274 251 H C -0.617 174.665 175.328 -0.076 0.000 1.184 251 H CA 0.696 56.796 56.048 0.087 0.000 1.143 251 H CB -2.276 27.546 29.762 0.101 0.000 1.297 251 H HN 0.562 nan 8.280 nan 0.000 0.356 252 H N 1.789 120.876 119.070 0.029 0.000 3.198 252 H HA 0.062 4.618 4.556 0.000 0.000 0.255 252 H C 1.797 176.805 175.328 -0.533 0.000 1.729 252 H CA 0.181 56.141 56.048 -0.146 0.000 1.495 252 H CB 0.273 29.992 29.762 -0.072 0.000 1.807 252 H HN 0.484 nan 8.280 nan 0.000 0.554 253 R N 0.755 120.875 120.500 -0.632 0.000 2.189 253 R HA -0.085 4.255 4.340 0.000 0.000 0.218 253 R C 1.419 177.361 176.300 -0.597 0.000 1.074 253 R CA 1.288 56.626 56.100 -1.270 0.000 0.991 253 R CB -0.273 29.619 30.300 -0.680 0.000 0.883 253 R HN 0.454 nan 8.270 nan 0.000 0.457 254 V N -2.079 117.669 119.914 -0.277 0.000 3.217 254 V HA 0.243 4.363 4.120 0.000 0.000 0.264 254 V C 2.256 178.285 176.094 -0.108 0.000 1.135 254 V CA 0.902 63.124 62.300 -0.130 0.000 1.142 254 V CB -0.028 31.754 31.823 -0.069 0.000 0.754 254 V HN 0.311 nan 8.190 nan 0.000 0.484 255 A N 1.578 124.314 122.820 -0.139 0.000 2.019 255 A HA -0.061 4.259 4.320 0.000 0.000 0.219 255 A C 2.297 179.867 177.584 -0.024 0.000 1.164 255 A CA 2.059 54.062 52.037 -0.056 0.000 0.644 255 A CB -0.780 18.211 19.000 -0.015 0.000 0.805 255 A HN 1.181 nan 8.150 nan 0.000 0.449 256 V N -1.923 117.969 119.914 -0.036 0.000 2.970 256 V HA -0.095 4.026 4.120 0.000 0.000 0.260 256 V C 1.079 177.107 176.094 -0.109 0.000 1.100 256 V CA 1.534 63.820 62.300 -0.025 0.000 1.122 256 V CB -1.149 30.713 31.823 0.065 0.000 0.721 256 V HN 0.808 nan 8.190 nan 0.000 0.483 257 Q N 0.185 119.950 119.800 -0.058 0.000 2.227 257 Q HA 0.468 4.808 4.340 0.000 0.000 0.332 257 Q C -0.816 175.313 176.000 0.216 0.000 0.878 257 Q CA -0.270 55.562 55.803 0.048 0.000 1.120 257 Q CB 0.519 29.222 28.738 -0.058 0.000 1.315 257 Q HN 0.483 nan 8.270 nan 0.000 0.414 258 D N 1.343 121.833 120.400 0.151 0.000 2.696 258 D HA 0.264 4.905 4.640 0.000 0.000 0.251 258 D C -1.760 174.536 176.300 -0.008 0.000 1.188 258 D CA -2.210 51.797 54.000 0.013 0.000 0.876 258 D CB 2.115 42.904 40.800 -0.018 0.000 1.334 258 D HN -0.047 nan 8.370 nan 0.000 0.540 259 P HA -0.100 nan 4.420 nan 0.000 0.222 259 P C 0.313 177.419 177.300 -0.324 0.000 1.147 259 P CA 0.885 63.792 63.100 -0.322 0.000 0.790 259 P CB 0.160 31.432 31.700 -0.713 0.000 0.780 260 Y N -0.427 119.863 120.300 -0.016 0.000 2.555 260 Y HA 0.501 5.051 4.550 0.000 0.000 0.259 260 Y C 1.412 177.299 175.900 -0.022 0.000 1.179 260 Y CA -1.322 56.764 58.100 -0.023 0.000 1.230 260 Y CB -0.865 37.569 38.460 -0.042 0.000 1.146 260 Y HN -0.099 nan 8.280 nan 0.000 0.526 261 A N 1.069 123.936 122.820 0.078 0.000 2.407 261 A HA 0.660 4.980 4.320 0.000 0.000 0.248 261 A C 0.414 178.023 177.584 0.041 0.000 1.082 261 A CA 0.034 52.097 52.037 0.044 0.000 0.785 261 A CB 0.032 19.046 19.000 0.024 0.000 1.020 261 A HN 0.343 nan 8.150 nan 0.000 0.489 262 A N 0.895 123.731 122.820 0.026 0.000 2.312 262 A HA 0.482 4.802 4.320 0.000 0.000 0.326 262 A C 0.971 178.576 177.584 0.034 0.000 1.172 262 A CA -0.576 51.477 52.037 0.026 0.000 0.821 262 A CB 0.604 19.613 19.000 0.014 0.000 1.166 262 A HN 0.874 nan 8.150 nan 0.000 0.493 263 Q N 1.361 121.181 119.800 0.034 0.000 2.112 263 Q HA -0.254 4.086 4.340 0.000 0.000 0.206 263 Q C 2.372 178.404 176.000 0.054 0.000 0.987 263 Q CA 2.088 57.915 55.803 0.040 0.000 0.858 263 Q CB -0.505 28.252 28.738 0.032 0.000 0.905 263 Q HN 0.952 nan 8.270 nan 0.000 0.420 264 A N 1.327 124.177 122.820 0.049 0.000 1.917 264 A HA -0.228 4.093 4.320 0.000 0.000 0.219 264 A C 1.766 179.403 177.584 0.088 0.000 1.182 264 A CA 2.013 54.086 52.037 0.060 0.000 0.633 264 A CB -0.454 18.571 19.000 0.041 0.000 0.819 264 A HN 0.283 nan 8.150 nan 0.000 0.448 265 D N -1.016 119.439 120.400 0.092 0.000 2.149 265 D HA -0.068 4.573 4.640 0.000 0.000 0.201 265 D C 2.289 178.685 176.300 0.160 0.000 0.972 265 D CA 1.427 55.518 54.000 0.152 0.000 0.835 265 D CB -0.324 40.531 40.800 0.091 0.000 0.966 265 D HN 0.411 nan 8.370 nan 0.000 0.476 266 S N 0.245 116.015 115.700 0.117 0.000 2.355 266 S HA -0.155 4.316 4.470 0.000 0.000 0.222 266 S C 1.765 176.460 174.600 0.158 0.000 1.031 266 S CA 1.120 59.402 58.200 0.136 0.000 0.993 266 S CB -0.034 63.218 63.200 0.087 0.000 0.859 266 S HN 0.193 nan 8.310 nan 0.000 0.453 267 E N 0.910 121.179 120.200 0.115 0.000 2.072 267 E HA -0.132 4.219 4.350 0.000 0.000 0.191 267 E C 2.133 178.812 176.600 0.133 0.000 0.985 267 E CA 0.919 57.379 56.400 0.100 0.000 0.801 267 E CB -0.295 29.457 29.700 0.087 0.000 0.750 267 E HN 0.619 nan 8.360 nan 0.000 0.452 268 N N 0.149 118.936 118.700 0.145 0.000 2.289 268 N HA -0.169 4.571 4.740 0.000 0.000 0.184 268 N C 1.741 177.310 175.510 0.099 0.000 1.016 268 N CA 0.642 53.762 53.050 0.117 0.000 0.872 268 N CB -0.008 38.522 38.487 0.072 0.000 0.973 268 N HN 0.070 nan 8.380 nan 0.000 0.433 269 F N 1.799 121.729 119.950 -0.032 0.000 2.149 269 F HA -0.038 4.489 4.527 0.000 0.000 0.294 269 F C 2.626 178.391 175.800 -0.060 0.000 1.095 269 F CA 1.831 59.775 58.000 -0.094 0.000 1.276 269 F CB -0.786 38.155 39.000 -0.099 0.000 1.023 269 F HN 0.032 nan 8.300 nan 0.000 0.480 270 T N -3.068 111.416 114.554 -0.117 0.000 3.057 270 T HA 0.082 4.432 4.350 0.000 0.000 0.254 270 T C 1.563 176.186 174.700 -0.127 0.000 1.094 270 T CA 0.555 62.537 62.100 -0.197 0.000 1.088 270 T CB -0.155 68.679 68.868 -0.056 0.000 0.934 270 T HN 0.253 nan 8.240 nan 0.000 0.497 271 K N 0.694 121.066 120.400 -0.046 0.000 2.380 271 K HA 0.317 4.637 4.320 0.000 0.000 0.198 271 K C 1.260 177.985 176.600 0.209 0.000 1.070 271 K CA -0.154 56.118 56.287 -0.024 0.000 1.040 271 K CB 0.749 33.155 32.500 -0.155 0.000 0.903 271 K HN 0.377 nan 8.250 nan 0.000 0.549 272 G N 0.966 109.868 108.800 0.170 0.000 2.569 272 G HA2 0.108 4.068 3.960 0.000 0.000 0.249 272 G HA3 0.108 4.068 3.960 0.000 0.000 0.249 272 G C -0.965 174.014 174.900 0.133 0.000 1.216 272 G CA -0.413 44.782 45.100 0.158 0.000 0.845 272 G HN 0.027 nan 8.290 nan 0.000 0.568 273 W N 0.563 121.756 121.300 -0.179 0.000 2.375 273 W HA 0.573 5.233 4.660 0.000 0.000 0.336 273 W C 0.745 177.133 176.519 -0.219 0.000 1.160 273 W CA -1.013 56.270 57.345 -0.102 0.000 1.266 273 W CB 0.557 30.146 29.460 0.215 0.000 1.195 273 W HN 0.452 nan 8.180 nan 0.000 0.599 274 F N 0.924 120.921 119.950 0.078 0.000 2.118 274 F HA 0.013 4.540 4.527 0.000 0.000 0.293 274 F C 1.133 177.022 175.800 0.149 0.000 1.102 274 F CA 1.308 59.290 58.000 -0.030 0.000 1.247 274 F CB -0.754 38.073 39.000 -0.289 0.000 1.017 274 F HN -0.016 nan 8.300 nan 0.000 0.475 275 V N -2.974 117.186 119.914 0.411 0.000 3.181 275 V HA 0.303 4.424 4.120 0.000 0.000 0.308 275 V C 0.600 176.872 176.094 0.296 0.000 1.214 275 V CA -0.983 61.508 62.300 0.319 0.000 1.053 275 V CB 1.609 33.521 31.823 0.147 0.000 1.069 275 V HN 0.290 nan 8.190 nan 0.000 0.441 276 E N 1.134 121.140 120.200 -0.324 0.000 2.265 276 E HA -0.082 4.269 4.350 0.000 0.000 0.196 276 E C 1.453 178.103 176.600 0.082 0.000 0.996 276 E CA 1.579 57.638 56.400 -0.568 0.000 0.832 276 E CB -0.224 28.868 29.700 -1.013 0.000 0.756 276 E HN 1.051 nan 8.360 nan 0.000 0.491 277 G N 0.609 109.454 108.800 0.075 0.000 3.141 277 G HA2 0.163 4.123 3.960 0.000 0.000 0.218 277 G HA3 0.163 4.123 3.960 0.000 0.000 0.218 277 G C 0.543 175.504 174.900 0.102 0.000 1.170 277 G CA -0.394 44.760 45.100 0.090 0.000 0.769 277 G HN 0.075 nan 8.290 nan 0.000 0.546 278 M N 1.392 121.068 119.600 0.126 0.000 2.066 278 M HA 0.262 4.742 4.480 0.000 0.000 0.264 278 M C -2.811 173.279 176.300 -0.350 0.000 0.886 278 M CA -1.745 53.561 55.300 0.010 0.000 0.810 278 M CB 2.560 35.181 32.600 0.036 0.000 1.451 278 M HN -0.220 nan 8.290 nan 0.000 0.373 279 P HA -0.035 nan 4.420 nan 0.000 0.261 279 P C -0.783 175.961 177.300 -0.926 0.000 1.183 279 P CA 0.273 62.548 63.100 -1.376 0.000 0.761 279 P CB 0.304 31.677 31.700 -0.545 0.000 0.785 280 D N 3.210 122.816 120.400 -1.323 0.000 2.312 280 D HA 0.143 4.783 4.640 0.000 0.000 0.252 280 D C -0.303 175.797 176.300 -0.334 0.000 1.150 280 D CA -0.117 53.538 54.000 -0.575 0.000 0.870 280 D CB 0.283 40.807 40.800 -0.460 0.000 1.153 280 D HN 0.191 nan 8.370 nan 0.000 0.457 281 L N 3.585 124.663 121.223 -0.242 0.000 2.380 281 L HA 0.195 4.535 4.340 0.000 0.000 0.273 281 L C 0.468 177.126 176.870 -0.353 0.000 1.138 281 L CA -0.501 54.156 54.840 -0.304 0.000 0.832 281 L CB 0.569 42.449 42.059 -0.298 0.000 1.124 281 L HN 0.471 nan 8.230 nan 0.000 0.454 282 N N 2.045 120.488 118.700 -0.427 0.000 2.521 282 N HA 0.115 4.855 4.740 0.000 0.000 0.236 282 N C 0.321 175.531 175.510 -0.500 0.000 1.067 282 N CA -0.196 52.614 53.050 -0.400 0.000 0.939 282 N CB 0.911 39.194 38.487 -0.341 0.000 1.201 282 N HN 0.452 nan 8.380 nan 0.000 0.511 283 Q N 0.415 119.923 119.800 -0.487 0.000 2.451 283 Q HA -0.021 4.319 4.340 0.000 0.000 0.206 283 Q C 1.647 177.441 176.000 -0.344 0.000 0.947 283 Q CA 0.959 56.399 55.803 -0.604 0.000 0.937 283 Q CB 0.213 28.362 28.738 -0.981 0.000 1.025 283 Q HN 0.783 nan 8.270 nan 0.000 0.511 284 T N -1.755 112.650 114.554 -0.248 0.000 2.915 284 T HA -0.093 4.257 4.350 0.000 0.000 0.269 284 T C 1.056 175.648 174.700 -0.180 0.000 1.071 284 T CA 0.352 62.360 62.100 -0.153 0.000 1.132 284 T CB -0.181 68.613 68.868 -0.123 0.000 0.878 284 T HN 0.084 nan 8.240 nan 0.000 0.479 285 N N 3.359 121.896 118.700 -0.272 0.000 2.438 285 N HA 0.092 4.832 4.740 0.000 0.000 0.267 285 N C -1.519 173.806 175.510 -0.308 0.000 1.222 285 N CA -1.891 50.978 53.050 -0.302 0.000 0.930 285 N CB 1.595 39.832 38.487 -0.417 0.000 1.083 285 N HN 0.158 nan 8.380 nan 0.000 0.476 286 P HA -0.109 nan 4.420 nan 0.000 0.222 286 P C 1.448 178.645 177.300 -0.172 0.000 1.147 286 P CA 0.926 63.938 63.100 -0.146 0.000 0.790 286 P CB 0.398 32.040 31.700 -0.097 0.000 0.780 287 L N -1.086 119.971 121.223 -0.278 0.000 2.141 287 L HA -0.089 4.251 4.340 0.000 0.000 0.209 287 L C 2.634 179.342 176.870 -0.271 0.000 1.094 287 L CA 0.979 55.668 54.840 -0.251 0.000 0.763 287 L CB -0.976 40.839 42.059 -0.407 0.000 0.908 287 L HN -0.161 nan 8.230 nan 0.000 0.437 288 V N 0.088 119.582 119.914 -0.699 0.000 2.323 288 V HA -0.200 3.921 4.120 0.000 0.000 0.244 288 V C 2.797 178.693 176.094 -0.331 0.000 1.041 288 V CA 1.662 63.462 62.300 -0.833 0.000 1.025 288 V CB -0.813 30.300 31.823 -1.183 0.000 0.656 288 V HN 0.436 nan 8.190 nan 0.000 0.451 289 A N 0.663 123.315 122.820 -0.280 0.000 1.883 289 A HA -0.279 4.041 4.320 0.000 0.000 0.217 289 A C 2.026 179.735 177.584 0.207 0.000 1.186 289 A CA 2.444 54.480 52.037 -0.002 0.000 0.624 289 A CB -0.837 18.241 19.000 0.129 0.000 0.822 289 A HN 0.588 nan 8.150 nan 0.000 0.444 290 N N -1.654 117.117 118.700 0.118 0.000 2.166 290 N HA -0.166 4.574 4.740 0.000 0.000 0.186 290 N C 1.495 177.136 175.510 0.218 0.000 1.019 290 N CA 1.631 54.770 53.050 0.148 0.000 0.856 290 N CB -0.570 37.986 38.487 0.114 0.000 0.993 290 N HN 0.686 nan 8.380 nan 0.000 0.426 291 Y N 0.988 121.370 120.300 0.137 0.000 2.145 291 Y HA -0.074 4.476 4.550 0.000 0.000 0.286 291 Y C 1.888 177.921 175.900 0.222 0.000 1.145 291 Y CA 1.427 59.660 58.100 0.222 0.000 1.148 291 Y CB -0.220 38.406 38.460 0.275 0.000 0.981 291 Y HN -0.002 nan 8.280 nan 0.000 0.507 292 L N -0.601 120.797 121.223 0.291 0.000 2.072 292 L HA -0.178 4.162 4.340 0.000 0.000 0.205 292 L C 2.379 179.481 176.870 0.386 0.000 1.079 292 L CA 1.139 56.144 54.840 0.275 0.000 0.752 292 L CB -0.511 41.726 42.059 0.296 0.000 0.906 292 L HN 0.249 nan 8.230 nan 0.000 0.436 293 I N -0.433 120.402 120.570 0.441 0.000 2.163 293 I HA -0.351 3.819 4.170 0.000 0.000 0.243 293 I C 2.693 178.964 176.117 0.258 0.000 1.085 293 I CA 1.528 63.026 61.300 0.330 0.000 1.347 293 I CB -0.270 37.851 38.000 0.202 0.000 1.044 293 I HN 0.340 nan 8.210 nan 0.000 0.408 294 Q N 0.118 120.059 119.800 0.236 0.000 2.046 294 Q HA -0.220 4.120 4.340 0.000 0.000 0.200 294 Q C 2.152 178.407 176.000 0.425 0.000 0.975 294 Q CA 1.592 57.600 55.803 0.342 0.000 0.836 294 Q CB -0.369 28.465 28.738 0.161 0.000 0.896 294 Q HN 0.524 nan 8.270 nan 0.000 0.428 295 N N 0.817 119.609 118.700 0.152 0.000 2.069 295 N HA -0.200 4.540 4.740 0.000 0.000 0.191 295 N C 1.288 176.977 175.510 0.298 0.000 1.031 295 N CA 1.507 54.532 53.050 -0.042 0.000 0.852 295 N CB -0.000 38.205 38.487 -0.469 0.000 1.018 295 N HN 0.173 nan 8.380 nan 0.000 0.423 296 N N 0.912 119.842 118.700 0.383 0.000 2.120 296 N HA -0.029 4.711 4.740 0.000 0.000 0.188 296 N C 1.905 177.668 175.510 0.421 0.000 1.024 296 N CA 0.734 54.069 53.050 0.474 0.000 0.852 296 N CB -0.302 38.470 38.487 0.475 0.000 1.003 296 N HN 0.345 nan 8.380 nan 0.000 0.424 297 I N -0.773 120.022 120.570 0.375 0.000 2.226 297 I HA -0.261 3.909 4.170 0.000 0.000 0.245 297 I C 2.126 178.423 176.117 0.299 0.000 1.100 297 I CA 0.957 62.464 61.300 0.345 0.000 1.374 297 I CB -0.185 38.032 38.000 0.362 0.000 1.057 297 I HN 0.264 nan 8.210 nan 0.000 0.413 298 W N 0.910 122.356 121.300 0.243 0.000 2.318 298 W HA -0.261 4.399 4.660 0.000 0.000 0.313 298 W C 2.187 178.813 176.519 0.178 0.000 1.221 298 W CA 1.553 59.040 57.345 0.236 0.000 1.266 298 W CB -0.576 29.065 29.460 0.302 0.000 1.150 298 W HN 0.101 nan 8.180 nan 0.000 0.496 299 W N 0.231 121.794 121.300 0.439 0.000 2.335 299 W HA -0.200 4.460 4.660 0.000 0.000 0.311 299 W C 2.382 178.954 176.519 0.088 0.000 1.213 299 W CA 1.548 59.066 57.345 0.288 0.000 1.274 299 W CB -0.845 28.806 29.460 0.319 0.000 1.148 299 W HN -0.193 nan 8.180 nan 0.000 0.498 300 I N -0.117 120.606 120.570 0.255 0.000 2.163 300 I HA -0.320 3.851 4.170 0.000 0.000 0.243 300 I C 2.317 178.323 176.117 -0.185 0.000 1.085 300 I CA 1.725 63.006 61.300 -0.031 0.000 1.347 300 I CB -0.591 37.273 38.000 -0.226 0.000 1.044 300 I HN -0.048 nan 8.210 nan 0.000 0.408 301 E N 0.201 120.220 120.200 -0.302 0.000 2.072 301 E HA -0.241 4.109 4.350 0.000 0.000 0.190 301 E C 2.073 178.381 176.600 -0.487 0.000 0.982 301 E CA 1.199 57.211 56.400 -0.647 0.000 0.803 301 E CB -0.285 28.525 29.700 -1.484 0.000 0.755 301 E HN 0.486 nan 8.360 nan 0.000 0.453 302 Y N -0.050 119.984 120.300 -0.443 0.000 2.220 302 Y HA 0.074 4.625 4.550 0.000 0.000 0.291 302 Y C 1.673 177.562 175.900 -0.019 0.000 1.129 302 Y CA 1.644 59.655 58.100 -0.148 0.000 1.161 302 Y CB -0.295 37.796 38.460 -0.615 0.000 0.997 302 Y HN 0.070 nan 8.280 nan 0.000 0.522 303 A N -0.535 122.272 122.820 -0.021 0.000 2.423 303 A HA 0.412 4.732 4.320 0.000 0.000 0.246 303 A C 1.527 179.042 177.584 -0.115 0.000 1.278 303 A CA 0.339 52.345 52.037 -0.052 0.000 0.903 303 A CB -1.278 17.916 19.000 0.322 0.000 0.997 303 A HN 0.806 nan 8.150 nan 0.000 0.510 304 G N 0.316 109.038 108.800 -0.130 0.000 2.366 304 G HA2 -0.244 3.716 3.960 0.000 0.000 0.299 304 G HA3 -0.244 3.716 3.960 0.000 0.000 0.299 304 G C 0.123 174.942 174.900 -0.135 0.000 1.020 304 G CA 0.583 45.596 45.100 -0.146 0.000 1.026 304 G HN 0.515 nan 8.290 nan 0.000 0.512 305 L N -0.330 120.822 121.223 -0.117 0.000 2.476 305 L HA 0.436 4.776 4.340 0.000 0.000 0.264 305 L C 1.608 178.407 176.870 -0.120 0.000 1.224 305 L CA 0.432 55.218 54.840 -0.091 0.000 0.821 305 L CB 1.074 43.119 42.059 -0.023 0.000 1.101 305 L HN 0.423 nan 8.230 nan 0.000 0.488 306 S N -1.078 114.591 115.700 -0.052 0.000 2.754 306 S HA 0.583 5.053 4.470 0.000 0.000 0.247 306 S C 0.100 174.759 174.600 0.099 0.000 1.031 306 S CA -0.008 58.181 58.200 -0.017 0.000 1.014 306 S CB 0.432 63.641 63.200 0.016 0.000 0.918 306 S HN 1.035 nan 8.310 nan 0.000 0.519 307 G N 0.527 109.383 108.800 0.094 0.000 2.336 307 G HA2 0.416 4.376 3.960 0.000 0.000 0.300 307 G HA3 0.416 4.376 3.960 0.000 0.000 0.300 307 G C -2.224 172.774 174.900 0.163 0.000 1.375 307 G CA -0.986 44.260 45.100 0.242 0.000 0.885 307 G HN 0.330 nan 8.290 nan 0.000 0.599 308 L N -0.130 121.215 121.223 0.203 0.000 2.393 308 L HA 0.724 5.064 4.340 0.000 0.000 0.260 308 L C -0.282 176.590 176.870 0.004 0.000 1.002 308 L CA -1.127 53.767 54.840 0.091 0.000 0.818 308 L CB 2.502 44.646 42.059 0.142 0.000 1.369 308 L HN 0.472 nan 8.230 nan 0.000 0.412 309 R N 2.910 123.323 120.500 -0.146 0.000 2.320 309 R HA 0.502 4.843 4.340 0.000 0.000 0.319 309 R C -1.059 175.194 176.300 -0.078 0.000 0.969 309 R CA -0.546 55.372 56.100 -0.303 0.000 0.857 309 R CB 0.761 30.547 30.300 -0.858 0.000 1.160 309 R HN 0.557 nan 8.270 nan 0.000 0.491 310 I N 3.395 123.984 120.570 0.032 0.000 2.322 310 I HA 0.042 4.213 4.170 0.000 0.000 0.292 310 I C 0.701 176.916 176.117 0.164 0.000 1.060 310 I CA -0.427 60.962 61.300 0.147 0.000 1.309 310 I CB 0.758 38.937 38.000 0.298 0.000 1.415 310 I HN 0.397 nan 8.210 nan 0.000 0.492 311 D N 4.966 125.468 120.400 0.170 0.000 2.382 311 D HA 0.012 4.652 4.640 0.000 0.000 0.240 311 D C 0.493 176.912 176.300 0.199 0.000 1.146 311 D CA 0.320 54.446 54.000 0.209 0.000 0.897 311 D CB 0.745 41.718 40.800 0.290 0.000 1.197 311 D HN 0.764 nan 8.370 nan 0.000 0.432 312 T N 1.177 115.860 114.554 0.215 0.000 2.910 312 T HA -0.331 4.019 4.350 0.000 0.000 0.459 312 T C 0.760 175.684 174.700 0.375 0.000 0.777 312 T CA 1.132 63.431 62.100 0.332 0.000 2.387 312 T CB -1.875 67.096 68.868 0.172 0.000 1.610 312 T HN 0.542 nan 8.240 nan 0.000 0.515 313 Y N 2.442 122.817 120.300 0.126 0.000 2.089 313 Y HA 0.091 4.642 4.550 0.000 0.000 0.282 313 Y C 2.468 178.227 175.900 -0.235 0.000 1.139 313 Y CA 2.195 60.242 58.100 -0.088 0.000 1.123 313 Y CB -0.841 37.484 38.460 -0.224 0.000 0.980 313 Y HN 0.599 nan 8.280 nan 0.000 0.493 314 G N -1.843 106.809 108.800 -0.247 0.000 2.498 314 G HA2 -0.275 3.685 3.960 0.000 0.000 0.219 314 G HA3 -0.275 3.685 3.960 0.000 0.000 0.219 314 G C 1.123 175.781 174.900 -0.404 0.000 1.119 314 G CA 0.740 45.608 45.100 -0.387 0.000 0.766 314 G HN 0.551 nan 8.290 nan 0.000 0.552 315 Y N 1.242 121.274 120.300 -0.447 0.000 2.509 315 Y HA 0.147 4.697 4.550 0.000 0.000 0.293 315 Y C 1.929 177.592 175.900 -0.394 0.000 1.133 315 Y CA 0.079 57.762 58.100 -0.694 0.000 1.283 315 Y CB 0.070 38.302 38.460 -0.381 0.000 1.001 315 Y HN 0.021 nan 8.280 nan 0.000 0.555 316 S N 0.067 115.683 115.700 -0.140 0.000 2.617 316 S HA 0.025 4.495 4.470 0.000 0.000 0.269 316 S C -0.370 174.217 174.600 -0.021 0.000 1.292 316 S CA -0.898 57.251 58.200 -0.084 0.000 1.010 316 S CB 0.508 63.692 63.200 -0.026 0.000 0.944 316 S HN 0.222 nan 8.310 nan 0.000 0.536 317 D N 0.713 121.140 120.400 0.045 0.000 2.493 317 D HA 0.228 4.868 4.640 0.000 0.000 0.240 317 D C 1.391 177.834 176.300 0.238 0.000 1.142 317 D CA 0.626 54.695 54.000 0.115 0.000 0.872 317 D CB 0.545 41.392 40.800 0.080 0.000 1.173 317 D HN 0.471 nan 8.370 nan 0.000 0.467 318 G N 3.141 112.094 108.800 0.254 0.000 2.459 318 G HA2 -0.285 3.675 3.960 0.000 0.000 0.217 318 G HA3 -0.285 3.675 3.960 0.000 0.000 0.217 318 G C 1.466 176.632 174.900 0.445 0.000 1.183 318 G CA 0.989 46.321 45.100 0.387 0.000 0.776 318 G HN 0.655 nan 8.290 nan 0.000 0.552 319 A N 0.363 123.369 122.820 0.309 0.000 1.908 319 A HA 0.017 4.337 4.320 0.000 0.000 0.218 319 A C 2.204 179.914 177.584 0.210 0.000 1.181 319 A CA 1.802 53.977 52.037 0.229 0.000 0.627 319 A CB -0.580 18.512 19.000 0.154 0.000 0.818 319 A HN 0.535 nan 8.150 nan 0.000 0.445 320 F N 0.560 120.565 119.950 0.093 0.000 2.134 320 F HA -0.122 4.405 4.527 0.000 0.000 0.299 320 F C 1.811 177.690 175.800 0.131 0.000 1.097 320 F CA 1.672 59.714 58.000 0.069 0.000 1.264 320 F CB -0.394 38.604 39.000 -0.004 0.000 1.001 320 F HN 0.136 nan 8.300 nan 0.000 0.479 321 L N -0.098 121.062 121.223 -0.104 0.000 2.042 321 L HA -0.246 4.095 4.340 0.000 0.000 0.210 321 L C 2.399 179.316 176.870 0.078 0.000 1.076 321 L CA 1.873 56.632 54.840 -0.135 0.000 0.749 321 L CB -1.202 40.896 42.059 0.065 0.000 0.893 321 L HN 0.195 nan 8.230 nan 0.000 0.432 322 T N -1.079 113.565 114.554 0.151 0.000 2.684 322 T HA -0.255 4.095 4.350 0.000 0.000 0.267 322 T C 1.782 176.492 174.700 0.017 0.000 1.036 322 T CA 1.790 63.939 62.100 0.082 0.000 1.148 322 T CB -0.160 68.697 68.868 -0.018 0.000 0.863 322 T HN 0.246 nan 8.240 nan 0.000 0.436 323 E N 0.236 120.416 120.200 -0.034 0.000 2.072 323 E HA -0.084 4.266 4.350 0.000 0.000 0.190 323 E C 1.859 178.384 176.600 -0.125 0.000 0.982 323 E CA 0.943 57.301 56.400 -0.070 0.000 0.803 323 E CB -0.524 29.166 29.700 -0.015 0.000 0.755 323 E HN 0.646 nan 8.360 nan 0.000 0.453 324 Y N 1.087 121.156 120.300 -0.385 0.000 2.097 324 Y HA -0.281 4.269 4.550 0.000 0.000 0.282 324 Y C 2.398 178.205 175.900 -0.156 0.000 1.152 324 Y CA 3.069 60.938 58.100 -0.386 0.000 1.136 324 Y CB -0.860 37.112 38.460 -0.814 0.000 0.975 324 Y HN 0.241 nan 8.280 nan 0.000 0.498 325 T N -1.108 113.469 114.554 0.039 0.000 2.746 325 T HA -0.213 4.137 4.350 0.000 0.000 0.267 325 T C 2.060 176.700 174.700 -0.101 0.000 1.039 325 T CA 1.438 63.574 62.100 0.060 0.000 1.142 325 T CB -0.594 68.444 68.868 0.283 0.000 0.866 325 T HN 0.415 nan 8.240 nan 0.000 0.444 326 R N 0.842 121.193 120.500 -0.249 0.000 2.073 326 R HA -0.061 4.280 4.340 0.000 0.000 0.234 326 R C 2.783 178.895 176.300 -0.314 0.000 1.134 326 R CA 1.013 56.769 56.100 -0.573 0.000 0.952 326 R CB -0.119 29.831 30.300 -0.582 0.000 0.850 326 R HN 0.246 nan 8.270 nan 0.000 0.433 327 R N 0.282 120.640 120.500 -0.236 0.000 2.081 327 R HA -0.104 4.237 4.340 0.000 0.000 0.235 327 R C 2.276 178.483 176.300 -0.155 0.000 1.131 327 R CA 1.015 57.008 56.100 -0.179 0.000 0.960 327 R CB -0.587 29.599 30.300 -0.190 0.000 0.856 327 R HN 0.223 nan 8.270 nan 0.000 0.436 328 L N 0.104 121.207 121.223 -0.201 0.000 2.156 328 L HA -0.053 4.287 4.340 0.000 0.000 0.208 328 L C 2.323 179.199 176.870 0.011 0.000 1.095 328 L CA 1.221 56.006 54.840 -0.092 0.000 0.770 328 L CB -0.350 41.592 42.059 -0.195 0.000 0.914 328 L HN 0.056 nan 8.230 nan 0.000 0.439 329 M N -1.322 118.258 119.600 -0.034 0.000 2.349 329 M HA 0.032 4.512 4.480 0.000 0.000 0.266 329 M C 2.368 178.655 176.300 -0.021 0.000 1.076 329 M CA 1.222 56.530 55.300 0.014 0.000 1.126 329 M CB -1.360 31.272 32.600 0.053 0.000 1.392 329 M HN 0.259 nan 8.290 nan 0.000 0.440 330 A N 0.092 122.867 122.820 -0.075 0.000 1.929 330 A HA -0.095 4.225 4.320 0.000 0.000 0.216 330 A C 2.101 179.614 177.584 -0.119 0.000 1.176 330 A CA 1.168 53.161 52.037 -0.073 0.000 0.628 330 A CB -0.277 18.684 19.000 -0.064 0.000 0.816 330 A HN 0.376 nan 8.150 nan 0.000 0.444 331 E N -1.193 118.882 120.200 -0.208 0.000 2.158 331 E HA -0.052 4.298 4.350 0.000 0.000 0.191 331 E C -0.543 175.623 176.600 -0.723 0.000 0.982 331 E CA 0.817 56.913 56.400 -0.506 0.000 0.823 331 E CB -0.082 29.198 29.700 -0.701 0.000 0.766 331 E HN 0.747 nan 8.360 nan 0.000 0.468 332 Y N -0.554 119.721 120.300 -0.041 0.000 2.628 332 Y HA 0.272 4.822 4.550 0.000 0.000 0.354 332 Y C -1.945 173.931 175.900 -0.041 0.000 1.061 332 Y CA -2.269 55.803 58.100 -0.047 0.000 1.251 332 Y CB 1.523 39.950 38.460 -0.056 0.000 1.098 332 Y HN -0.066 nan 8.280 nan 0.000 0.626 333 P HA -0.096 nan 4.420 nan 0.000 0.220 333 P C 1.168 178.482 177.300 0.024 0.000 1.148 333 P CA 1.433 64.554 63.100 0.033 0.000 0.803 333 P CB 0.353 32.061 31.700 0.013 0.000 0.782 334 R N -1.818 118.698 120.500 0.027 0.000 2.334 334 R HA 0.181 4.521 4.340 0.000 0.000 0.216 334 R C 0.632 176.905 176.300 -0.045 0.000 0.905 334 R CA -0.435 55.657 56.100 -0.013 0.000 1.064 334 R CB -0.403 29.890 30.300 -0.012 0.000 1.046 334 R HN 0.141 nan 8.270 nan 0.000 0.508 335 L N 0.671 121.883 121.223 -0.017 0.000 2.476 335 L HA 0.106 4.446 4.340 0.000 0.000 0.264 335 L C -0.173 176.597 176.870 -0.167 0.000 1.224 335 L CA 0.427 55.220 54.840 -0.077 0.000 0.821 335 L CB 0.555 42.598 42.059 -0.025 0.000 1.101 335 L HN -0.017 nan 8.230 nan 0.000 0.488 336 N N 2.976 121.491 118.700 -0.309 0.000 2.269 336 N HA 0.538 5.278 4.740 0.000 0.000 0.304 336 N C -1.659 173.668 175.510 -0.306 0.000 1.072 336 N CA -0.419 52.315 53.050 -0.527 0.000 0.802 336 N CB 1.500 39.228 38.487 -1.265 0.000 1.348 336 N HN 0.540 nan 8.380 nan 0.000 0.484 337 M N 2.208 121.732 119.600 -0.128 0.000 2.204 337 M HA 0.286 4.766 4.480 0.000 0.000 0.293 337 M C -0.944 175.408 176.300 0.086 0.000 0.994 337 M CA -0.995 54.354 55.300 0.082 0.000 0.925 337 M CB 2.466 35.136 32.600 0.116 0.000 1.577 337 M HN 0.165 nan 8.290 nan 0.000 0.439 338 V N 2.917 122.925 119.914 0.157 0.000 2.435 338 V HA 0.899 5.019 4.120 0.000 0.000 0.290 338 V C -0.145 175.915 176.094 -0.057 0.000 1.030 338 V CA -0.042 62.281 62.300 0.039 0.000 0.881 338 V CB 1.634 33.485 31.823 0.046 0.000 0.983 338 V HN 0.936 nan 8.190 nan 0.000 0.445 339 G N 4.400 113.128 108.800 -0.119 0.000 2.379 339 G HA2 0.409 4.369 3.960 0.000 0.000 0.327 339 G HA3 0.409 4.369 3.960 0.000 0.000 0.327 339 G C -0.712 174.169 174.900 -0.032 0.000 1.145 339 G CA -0.500 44.512 45.100 -0.147 0.000 0.905 339 G HN 0.761 nan 8.290 nan 0.000 0.466 340 Q N 1.052 120.912 119.800 0.099 0.000 2.423 340 Q HA 0.196 4.536 4.340 0.000 0.000 0.235 340 Q C -0.766 175.395 176.000 0.269 0.000 1.100 340 Q CA -0.253 55.683 55.803 0.222 0.000 0.908 340 Q CB 0.613 29.488 28.738 0.229 0.000 1.312 340 Q HN 0.547 nan 8.270 nan 0.000 0.497 341 E N 4.657 125.009 120.200 0.254 0.000 2.102 341 E HA 0.076 4.426 4.350 0.000 0.000 0.263 341 E C -1.566 175.140 176.600 0.177 0.000 0.894 341 E CA -0.505 56.022 56.400 0.211 0.000 0.746 341 E CB 0.542 30.304 29.700 0.105 0.000 1.129 341 E HN 0.493 nan 8.360 nan 0.000 0.416 342 W N 5.487 126.689 121.300 -0.163 0.000 2.430 342 W HA 0.423 5.083 4.660 0.000 0.000 0.380 342 W C -0.863 175.480 176.519 -0.294 0.000 1.045 342 W CA -0.262 56.687 57.345 -0.661 0.000 1.547 342 W CB 0.241 29.365 29.460 -0.559 0.000 1.554 342 W HN 0.463 nan 8.180 nan 0.000 0.378 343 S N 2.695 118.443 115.700 0.080 0.000 2.566 343 S HA 0.192 4.662 4.470 0.000 0.000 0.273 343 S C 0.715 175.443 174.600 0.213 0.000 1.157 343 S CA -0.210 58.105 58.200 0.192 0.000 0.938 343 S CB 1.145 64.452 63.200 0.179 0.000 1.087 343 S HN 0.356 nan 8.310 nan 0.000 0.474 344 T N 1.460 116.135 114.554 0.202 0.000 3.194 344 T HA 0.272 4.622 4.350 0.000 0.000 0.251 344 T C 0.433 175.213 174.700 0.134 0.000 1.132 344 T CA 0.022 62.233 62.100 0.185 0.000 1.028 344 T CB -0.291 68.675 68.868 0.163 0.000 0.976 344 T HN 0.490 nan 8.240 nan 0.000 0.535 345 R N 0.504 121.077 120.500 0.122 0.000 2.265 345 R HA 0.484 4.825 4.340 0.000 0.000 0.319 345 R C 0.904 177.250 176.300 0.077 0.000 1.006 345 R CA -0.543 55.602 56.100 0.075 0.000 0.880 345 R CB 1.667 31.996 30.300 0.049 0.000 1.077 345 R HN -0.027 nan 8.270 nan 0.000 0.454 346 V N 5.033 124.964 119.914 0.028 0.000 2.287 346 V HA -0.174 3.946 4.120 0.000 0.000 0.248 346 V C -1.034 174.949 176.094 -0.185 0.000 1.053 346 V CA 1.760 64.035 62.300 -0.041 0.000 1.027 346 V CB -0.941 30.817 31.823 -0.108 0.000 0.646 346 V HN 0.683 nan 8.190 nan 0.000 0.447 347 P HA -0.092 nan 4.420 nan 0.000 0.216 347 P C 1.915 179.165 177.300 -0.083 0.000 1.153 347 P CA 1.209 64.208 63.100 -0.169 0.000 0.848 347 P CB -0.108 31.518 31.700 -0.123 0.000 0.787 348 V N -0.439 119.475 119.914 -0.000 0.000 2.343 348 V HA -0.197 3.924 4.120 0.000 0.000 0.247 348 V C 2.465 178.692 176.094 0.220 0.000 1.051 348 V CA 1.783 64.136 62.300 0.088 0.000 1.036 348 V CB -1.225 30.667 31.823 0.115 0.000 0.654 348 V HN -0.028 nan 8.190 nan 0.000 0.451 349 V N 0.305 120.357 119.914 0.231 0.000 2.358 349 V HA -0.182 3.939 4.120 0.000 0.000 0.246 349 V C 2.699 179.007 176.094 0.357 0.000 1.047 349 V CA 1.811 64.336 62.300 0.376 0.000 1.035 349 V CB -1.123 30.939 31.823 0.400 0.000 0.658 349 V HN 0.543 nan 8.190 nan 0.000 0.452 350 A N -0.039 122.814 122.820 0.055 0.000 2.019 350 A HA -0.228 4.092 4.320 0.000 0.000 0.219 350 A C 2.374 179.970 177.584 0.021 0.000 1.164 350 A CA 1.559 53.543 52.037 -0.088 0.000 0.644 350 A CB -0.615 18.011 19.000 -0.623 0.000 0.805 350 A HN 0.371 nan 8.150 nan 0.000 0.449 351 R N -0.821 119.650 120.500 -0.048 0.000 2.133 351 R HA -0.225 4.115 4.340 0.000 0.000 0.247 351 R C 1.450 177.654 176.300 -0.159 0.000 1.151 351 R CA 2.116 58.090 56.100 -0.210 0.000 0.971 351 R CB -0.448 29.562 30.300 -0.483 0.000 0.866 351 R HN 0.769 nan 8.270 nan 0.000 0.447 352 W N 0.672 122.067 121.300 0.159 0.000 3.139 352 W HA 0.193 4.853 4.660 0.000 0.000 0.260 352 W C 1.053 177.658 176.519 0.143 0.000 1.312 352 W CA -0.506 56.968 57.345 0.214 0.000 1.606 352 W CB 0.081 29.632 29.460 0.152 0.000 1.118 352 W HN 0.118 nan 8.180 nan 0.000 0.675 353 Q N 1.838 121.805 119.800 0.278 0.000 2.373 353 Q HA 0.090 4.430 4.340 0.000 0.000 0.255 353 Q C 0.690 176.756 176.000 0.109 0.000 0.980 353 Q CA -0.542 55.370 55.803 0.180 0.000 0.882 353 Q CB 0.693 29.547 28.738 0.193 0.000 1.249 353 Q HN -0.047 nan 8.270 nan 0.000 0.438 354 R N 1.606 122.140 120.500 0.057 0.000 2.484 354 R HA 0.107 4.447 4.340 0.000 0.000 0.293 354 R C 0.446 176.721 176.300 -0.040 0.000 1.023 354 R CA 1.306 57.391 56.100 -0.025 0.000 1.037 354 R CB -0.225 30.053 30.300 -0.037 0.000 0.951 354 R HN 0.947 nan 8.270 nan 0.000 0.418 355 G N 3.163 111.911 108.800 -0.087 0.000 2.195 355 G HA2 -0.305 3.655 3.960 0.000 0.000 0.246 355 G HA3 -0.305 3.655 3.960 0.000 0.000 0.246 355 G C -0.071 174.810 174.900 -0.031 0.000 0.984 355 G CA 0.374 45.435 45.100 -0.065 0.000 0.633 355 G HN 0.639 nan 8.290 nan 0.000 0.525 356 K N 1.623 122.016 120.400 -0.011 0.000 2.412 356 K HA 0.615 4.935 4.320 0.000 0.000 0.284 356 K C 0.617 177.210 176.600 -0.012 0.000 1.046 356 K CA 0.623 56.913 56.287 0.005 0.000 0.999 356 K CB 0.500 33.016 32.500 0.027 0.000 0.941 356 K HN 0.924 nan 8.250 nan 0.000 0.474 357 A N 5.265 128.082 122.820 -0.005 0.000 2.347 357 A HA 0.265 4.586 4.320 0.000 0.000 0.287 357 A C -0.668 176.920 177.584 0.006 0.000 1.199 357 A CA -0.492 51.541 52.037 -0.006 0.000 0.851 357 A CB -0.331 18.672 19.000 0.003 0.000 1.118 357 A HN 0.948 nan 8.150 nan 0.000 0.525 358 N N 0.744 119.437 118.700 -0.012 0.000 2.430 358 N HA 0.479 5.219 4.740 0.000 0.000 0.298 358 N C 0.721 176.213 175.510 -0.030 0.000 1.130 358 N CA -0.602 52.439 53.050 -0.015 0.000 0.894 358 N CB 0.917 39.352 38.487 -0.087 0.000 1.209 358 N HN 0.654 nan 8.380 nan 0.000 0.503 359 F N 0.479 120.397 119.950 -0.054 0.000 2.171 359 F HA -0.054 4.473 4.527 0.000 0.000 0.300 359 F C 1.449 177.221 175.800 -0.047 0.000 1.090 359 F CA 0.816 58.784 58.000 -0.054 0.000 1.293 359 F CB -0.326 38.629 39.000 -0.075 0.000 1.013 359 F HN 0.417 nan 8.300 nan 0.000 0.486 360 D N -0.690 119.066 120.400 -1.073 0.000 2.328 360 D HA 0.168 4.808 4.640 0.000 0.000 0.221 360 D C 1.801 177.904 176.300 -0.328 0.000 1.072 360 D CA 0.469 54.028 54.000 -0.735 0.000 0.850 360 D CB -0.293 39.910 40.800 -0.995 0.000 0.922 360 D HN 0.550 nan 8.370 nan 0.000 0.516 361 G N 0.374 109.036 108.800 -0.230 0.000 2.143 361 G HA2 -0.349 3.611 3.960 0.000 0.000 0.248 361 G HA3 -0.349 3.611 3.960 0.000 0.000 0.248 361 G C -0.152 174.699 174.900 -0.083 0.000 0.991 361 G CA 0.133 45.163 45.100 -0.117 0.000 0.689 361 G HN 0.507 nan 8.290 nan 0.000 0.522 362 Y N 2.755 122.924 120.300 -0.219 0.000 2.544 362 Y HA 0.435 4.986 4.550 0.000 0.000 0.330 362 Y C 1.147 176.982 175.900 -0.109 0.000 1.136 362 Y CA 0.624 58.621 58.100 -0.171 0.000 1.417 362 Y CB 0.591 38.901 38.460 -0.250 0.000 1.229 362 Y HN 0.420 nan 8.280 nan 0.000 0.532 363 T N 2.251 116.410 114.554 -0.657 0.000 2.888 363 T HA 0.692 5.042 4.350 0.000 0.000 0.284 363 T C -0.500 173.836 174.700 -0.607 0.000 1.017 363 T CA -0.831 60.990 62.100 -0.463 0.000 1.022 363 T CB 1.693 70.410 68.868 -0.251 0.000 1.013 363 T HN 0.609 nan 8.240 nan 0.000 0.465 364 S N -0.188 115.360 115.700 -0.253 0.000 2.579 364 S HA 0.486 4.956 4.470 0.000 0.000 0.272 364 S C -1.084 173.496 174.600 -0.033 0.000 1.141 364 S CA -0.670 57.527 58.200 -0.006 0.000 0.843 364 S CB 1.286 64.629 63.200 0.238 0.000 1.122 364 S HN 0.874 nan 8.310 nan 0.000 0.468 365 H N 1.204 120.319 119.070 0.075 0.000 2.674 365 H HA 0.401 4.957 4.556 0.000 0.000 0.274 365 H C -0.262 175.113 175.328 0.079 0.000 1.121 365 H CA -0.236 55.845 56.048 0.054 0.000 1.132 365 H CB 0.496 30.274 29.762 0.027 0.000 1.606 365 H HN 0.307 nan 8.280 nan 0.000 0.558 366 L N 2.815 124.162 121.223 0.206 0.000 2.456 366 L HA 0.207 4.547 4.340 0.000 0.000 0.277 366 L C -1.791 175.115 176.870 0.059 0.000 1.124 366 L CA -1.543 53.381 54.840 0.139 0.000 0.880 366 L CB 1.014 43.131 42.059 0.097 0.000 1.192 366 L HN -0.046 nan 8.230 nan 0.000 0.463 367 P HA -0.024 nan 4.420 nan 0.000 0.219 367 P C -0.218 177.059 177.300 -0.038 0.000 1.150 367 P CA 0.630 63.714 63.100 -0.027 0.000 0.814 367 P CB 0.348 31.998 31.700 -0.082 0.000 0.787 368 S N -1.782 113.896 115.700 -0.035 0.000 2.588 368 S HA 0.692 5.163 4.470 0.000 0.000 0.275 368 S C -1.611 172.968 174.600 -0.034 0.000 1.130 368 S CA -0.603 57.577 58.200 -0.032 0.000 0.855 368 S CB 0.385 63.575 63.200 -0.018 0.000 1.116 368 S HN -0.216 nan 8.310 nan 0.000 0.472 369 L N 2.248 123.459 121.223 -0.020 0.000 2.359 369 L HA 0.641 4.981 4.340 0.000 0.000 0.256 369 L C -0.593 176.281 176.870 0.006 0.000 1.026 369 L CA -0.729 54.110 54.840 -0.002 0.000 0.828 369 L CB 1.632 43.742 42.059 0.086 0.000 1.406 369 L HN 0.542 nan 8.230 nan 0.000 0.413 370 M N 1.282 120.901 119.600 0.032 0.000 2.184 370 M HA 0.089 4.569 4.480 0.000 0.000 0.351 370 M C -0.223 176.105 176.300 0.047 0.000 1.395 370 M CA -0.119 55.165 55.300 -0.026 0.000 1.117 370 M CB 0.183 32.625 32.600 -0.265 0.000 1.708 370 M HN 0.409 nan 8.290 nan 0.000 0.468 371 D N 3.318 123.725 120.400 0.013 0.000 2.671 371 D HA 0.054 4.694 4.640 0.000 0.000 0.228 371 D C 0.759 176.980 176.300 -0.131 0.000 1.102 371 D CA 0.060 54.032 54.000 -0.047 0.000 1.044 371 D CB -0.299 40.422 40.800 -0.131 0.000 1.113 371 D HN 0.350 nan 8.370 nan 0.000 0.480 372 F N 1.090 121.078 119.950 0.064 0.000 2.171 372 F HA -0.026 4.502 4.527 0.000 0.000 0.300 372 F C -0.546 175.241 175.800 -0.022 0.000 1.090 372 F CA 0.525 58.516 58.000 -0.015 0.000 1.293 372 F CB -1.151 37.810 39.000 -0.065 0.000 1.013 372 F HN 0.333 nan 8.300 nan 0.000 0.486 373 P HA -0.180 nan 4.420 nan 0.000 0.215 373 P C 1.899 179.237 177.300 0.064 0.000 1.153 373 P CA 1.184 64.367 63.100 0.138 0.000 0.853 373 P CB 0.041 31.837 31.700 0.159 0.000 0.788 374 L N -0.953 120.287 121.223 0.029 0.000 2.095 374 L HA -0.061 4.279 4.340 0.000 0.000 0.204 374 L C 2.232 179.085 176.870 -0.028 0.000 1.080 374 L CA 1.511 56.368 54.840 0.028 0.000 0.759 374 L CB -1.110 40.987 42.059 0.063 0.000 0.914 374 L HN -0.218 nan 8.230 nan 0.000 0.439 375 V N -0.116 119.685 119.914 -0.189 0.000 2.287 375 V HA -0.330 3.791 4.120 0.000 0.000 0.248 375 V C 2.313 178.320 176.094 -0.145 0.000 1.053 375 V CA 2.079 64.194 62.300 -0.308 0.000 1.027 375 V CB -0.686 30.624 31.823 -0.855 0.000 0.646 375 V HN 0.538 nan 8.190 nan 0.000 0.447 376 D N 0.108 120.470 120.400 -0.062 0.000 2.097 376 D HA -0.148 4.492 4.640 0.000 0.000 0.195 376 D C 2.144 178.432 176.300 -0.019 0.000 0.989 376 D CA 1.592 55.598 54.000 0.009 0.000 0.827 376 D CB -0.233 40.617 40.800 0.084 0.000 0.966 376 D HN 0.349 nan 8.370 nan 0.000 0.456 377 A N 0.040 122.843 122.820 -0.029 0.000 1.892 377 A HA -0.222 4.098 4.320 0.000 0.000 0.218 377 A C 2.203 179.714 177.584 -0.123 0.000 1.188 377 A CA 2.432 54.434 52.037 -0.059 0.000 0.631 377 A CB -0.834 18.136 19.000 -0.050 0.000 0.822 377 A HN 0.402 nan 8.150 nan 0.000 0.447 378 M N -0.397 119.098 119.600 -0.174 0.000 2.156 378 M HA -0.025 4.455 4.480 0.000 0.000 0.264 378 M C 2.023 178.227 176.300 -0.159 0.000 1.067 378 M CA 1.444 56.578 55.300 -0.277 0.000 1.131 378 M CB -0.562 31.753 32.600 -0.476 0.000 1.368 378 M HN 0.382 nan 8.290 nan 0.000 0.416 379 R N -0.264 120.179 120.500 -0.094 0.000 2.096 379 R HA -0.125 4.215 4.340 0.000 0.000 0.235 379 R C 1.719 178.000 176.300 -0.030 0.000 1.127 379 R CA 1.659 57.733 56.100 -0.042 0.000 0.968 379 R CB -0.664 29.628 30.300 -0.013 0.000 0.861 379 R HN 0.450 nan 8.270 nan 0.000 0.440 380 N N 0.596 119.276 118.700 -0.034 0.000 2.244 380 N HA -0.101 4.639 4.740 0.000 0.000 0.183 380 N C 1.481 176.967 175.510 -0.039 0.000 1.016 380 N CA 1.314 54.349 53.050 -0.025 0.000 0.866 380 N CB -0.189 38.287 38.487 -0.018 0.000 0.980 380 N HN 0.210 nan 8.380 nan 0.000 0.430 381 A N 0.132 122.911 122.820 -0.070 0.000 1.968 381 A HA 0.072 4.392 4.320 0.000 0.000 0.217 381 A C 1.720 179.274 177.584 -0.050 0.000 1.169 381 A CA 0.750 52.741 52.037 -0.077 0.000 0.638 381 A CB -0.316 18.605 19.000 -0.133 0.000 0.812 381 A HN 0.235 nan 8.150 nan 0.000 0.446 382 L N 0.073 121.270 121.223 -0.043 0.000 2.628 382 L HA 0.087 4.427 4.340 0.000 0.000 0.229 382 L C 2.022 178.891 176.870 -0.002 0.000 1.137 382 L CA 0.716 55.547 54.840 -0.015 0.000 0.909 382 L CB 0.165 42.219 42.059 -0.007 0.000 1.137 382 L HN 0.534 nan 8.230 nan 0.000 0.470 383 S N -1.918 113.778 115.700 -0.007 0.000 2.665 383 S HA 0.110 4.580 4.470 0.000 0.000 0.240 383 S C 0.831 175.431 174.600 -0.001 0.000 1.081 383 S CA -0.336 57.864 58.200 -0.001 0.000 0.887 383 S CB 0.223 63.426 63.200 0.004 0.000 0.805 383 S HN 0.014 nan 8.310 nan 0.000 0.486 384 K N 2.987 123.385 120.400 -0.004 0.000 2.250 384 K HA 0.451 4.771 4.320 0.000 0.000 0.285 384 K C 0.459 177.058 176.600 -0.001 0.000 1.097 384 K CA 0.108 56.393 56.287 -0.002 0.000 0.913 384 K CB 0.647 33.144 32.500 -0.005 0.000 1.179 384 K HN 0.288 nan 8.250 nan 0.000 0.462 385 T N 0.229 114.785 114.554 0.003 0.000 3.014 385 T HA -0.031 4.319 4.350 0.000 0.000 0.263 385 T C 1.607 176.310 174.700 0.006 0.000 1.078 385 T CA 0.847 62.951 62.100 0.006 0.000 1.135 385 T CB 0.231 69.104 68.868 0.009 0.000 0.895 385 T HN 0.662 nan 8.240 nan 0.000 0.480 386 G N 1.032 109.835 108.800 0.004 0.000 3.061 386 G HA2 0.098 4.058 3.960 0.000 0.000 0.208 386 G HA3 0.098 4.058 3.960 0.000 0.000 0.208 386 G C 0.179 175.081 174.900 0.003 0.000 1.175 386 G CA -0.137 44.966 45.100 0.004 0.000 0.812 386 G HN 0.306 nan 8.290 nan 0.000 0.523 387 E N 0.172 120.373 120.200 0.000 0.000 2.175 387 E HA 0.296 4.646 4.350 0.000 0.000 0.278 387 E C 1.151 177.750 176.600 -0.002 0.000 0.969 387 E CA -0.575 55.823 56.400 -0.003 0.000 0.796 387 E CB 0.920 30.615 29.700 -0.009 0.000 1.104 387 E HN -0.015 nan 8.360 nan 0.000 0.395 388 E N 2.556 122.756 120.200 -0.001 0.000 2.072 388 E HA -0.145 4.205 4.350 0.000 0.000 0.191 388 E C 0.041 176.639 176.600 -0.002 0.000 0.985 388 E CA 0.982 57.383 56.400 0.001 0.000 0.801 388 E CB 0.207 29.908 29.700 0.002 0.000 0.750 388 E HN 0.307 nan 8.360 nan 0.000 0.452 389 N N -0.972 117.722 118.700 -0.010 0.000 2.697 389 N HA 0.135 4.875 4.740 0.000 0.000 0.253 389 N C 0.296 175.783 175.510 -0.037 0.000 1.604 389 N CA 0.175 53.213 53.050 -0.021 0.000 0.772 389 N CB 0.737 39.213 38.487 -0.017 0.000 1.267 389 N HN 0.005 nan 8.380 nan 0.000 0.510 390 G N 0.071 108.846 108.800 -0.042 0.000 2.421 390 G HA2 -0.086 3.874 3.960 0.000 0.000 0.217 390 G HA3 -0.086 3.874 3.960 0.000 0.000 0.217 390 G C 1.182 176.020 174.900 -0.103 0.000 1.143 390 G CA 0.328 45.394 45.100 -0.057 0.000 0.784 390 G HN 0.466 nan 8.290 nan 0.000 0.541 391 L N 0.567 121.710 121.223 -0.134 0.000 2.456 391 L HA -0.029 4.311 4.340 0.000 0.000 0.224 391 L C 2.500 179.170 176.870 -0.334 0.000 1.148 391 L CA 0.285 54.971 54.840 -0.256 0.000 0.825 391 L CB -0.249 41.669 42.059 -0.235 0.000 0.937 391 L HN 0.196 nan 8.230 nan 0.000 0.450 392 N N 0.449 119.039 118.700 -0.183 0.000 2.166 392 N HA -0.208 4.532 4.740 0.000 0.000 0.186 392 N C 1.708 177.196 175.510 -0.038 0.000 1.019 392 N CA 1.186 54.187 53.050 -0.082 0.000 0.856 392 N CB 0.123 38.601 38.487 -0.016 0.000 0.993 392 N HN 0.288 nan 8.380 nan 0.000 0.426 393 E N -0.488 119.665 120.200 -0.079 0.000 2.070 393 E HA -0.183 4.167 4.350 0.000 0.000 0.197 393 E C 1.869 178.415 176.600 -0.091 0.000 1.004 393 E CA 1.617 57.977 56.400 -0.066 0.000 0.805 393 E CB -0.072 29.588 29.700 -0.066 0.000 0.744 393 E HN 0.198 nan 8.360 nan 0.000 0.451 394 V N 0.744 120.546 119.914 -0.186 0.000 2.287 394 V HA -0.292 3.828 4.120 0.000 0.000 0.248 394 V C 2.171 178.195 176.094 -0.116 0.000 1.053 394 V CA 2.180 64.350 62.300 -0.217 0.000 1.027 394 V CB -0.787 30.744 31.823 -0.487 0.000 0.646 394 V HN 0.355 nan 8.190 nan 0.000 0.447 395 Y N 1.216 121.303 120.300 -0.355 0.000 2.200 395 Y HA -0.170 4.380 4.550 0.000 0.000 0.290 395 Y C 2.490 178.418 175.900 0.047 0.000 1.137 395 Y CA 1.988 59.995 58.100 -0.154 0.000 1.163 395 Y CB -0.257 37.980 38.460 -0.373 0.000 0.988 395 Y HN 0.318 nan 8.280 nan 0.000 0.518 396 E N -0.580 119.508 120.200 -0.188 0.000 2.106 396 E HA -0.144 4.206 4.350 0.000 0.000 0.192 396 E C 2.062 178.609 176.600 -0.088 0.000 0.984 396 E CA 1.588 57.859 56.400 -0.215 0.000 0.806 396 E CB -0.129 29.527 29.700 -0.073 0.000 0.750 396 E HN 0.470 nan 8.360 nan 0.000 0.458 397 T N 1.633 116.170 114.554 -0.028 0.000 2.708 397 T HA -0.118 4.232 4.350 0.000 0.000 0.266 397 T C 1.953 176.684 174.700 0.052 0.000 1.037 397 T CA 0.732 62.842 62.100 0.017 0.000 1.146 397 T CB -0.192 68.695 68.868 0.032 0.000 0.865 397 T HN 0.087 nan 8.240 nan 0.000 0.435 398 L N 1.590 122.868 121.223 0.092 0.000 2.127 398 L HA -0.115 4.225 4.340 0.000 0.000 0.211 398 L C 2.666 179.590 176.870 0.090 0.000 1.089 398 L CA 1.377 56.287 54.840 0.118 0.000 0.757 398 L CB -0.515 41.673 42.059 0.215 0.000 0.899 398 L HN 0.378 nan 8.230 nan 0.000 0.434 399 S N -0.851 114.897 115.700 0.081 0.000 2.603 399 S HA -0.025 4.445 4.470 0.000 0.000 0.229 399 S C 1.451 176.142 174.600 0.152 0.000 0.972 399 S CA 0.395 58.648 58.200 0.089 0.000 0.935 399 S CB -0.299 62.858 63.200 -0.072 0.000 0.769 399 S HN 0.445 nan 8.310 nan 0.000 0.536 400 L N 0.652 121.896 121.223 0.036 0.000 2.667 400 L HA 0.300 4.640 4.340 0.000 0.000 0.232 400 L C 1.195 177.894 176.870 -0.286 0.000 1.138 400 L CA -0.068 54.655 54.840 -0.195 0.000 0.921 400 L CB -0.188 41.759 42.059 -0.185 0.000 1.180 400 L HN 0.099 nan 8.230 nan 0.000 0.487 401 D N 0.467 120.875 120.400 0.013 0.000 2.265 401 D HA -0.232 4.408 4.640 0.000 0.000 0.208 401 D C 1.912 178.275 176.300 0.106 0.000 0.977 401 D CA 1.316 55.408 54.000 0.154 0.000 0.871 401 D CB -0.042 40.829 40.800 0.118 0.000 0.925 401 D HN 0.563 nan 8.370 nan 0.000 0.485 402 Y N -0.640 119.702 120.300 0.071 0.000 2.483 402 Y HA -0.014 4.536 4.550 0.000 0.000 0.291 402 Y C 1.761 177.668 175.900 0.011 0.000 1.143 402 Y CA 0.522 58.645 58.100 0.038 0.000 1.289 402 Y CB -0.790 37.679 38.460 0.015 0.000 0.983 402 Y HN -0.032 nan 8.280 nan 0.000 0.556 403 L N -0.845 120.066 121.223 -0.520 0.000 2.291 403 L HA -0.051 4.289 4.340 0.000 0.000 0.214 403 L C 0.119 176.809 176.870 -0.300 0.000 1.120 403 L CA 0.222 54.799 54.840 -0.439 0.000 0.799 403 L CB -0.404 41.273 42.059 -0.637 0.000 0.925 403 L HN 0.169 nan 8.230 nan 0.000 0.446 404 Y N 0.553 120.801 120.300 -0.087 0.000 2.316 404 Y HA 0.137 4.687 4.550 0.000 0.000 0.331 404 Y C -1.164 174.731 175.900 -0.009 0.000 1.083 404 Y CA -2.429 55.651 58.100 -0.032 0.000 1.206 404 Y CB 0.012 38.455 38.460 -0.028 0.000 1.195 404 Y HN -0.118 nan 8.280 nan 0.000 0.497 405 P HA -0.169 nan 4.420 nan 0.000 0.220 405 P C -0.029 177.315 177.300 0.073 0.000 1.148 405 P CA 1.352 64.503 63.100 0.085 0.000 0.803 405 P CB 0.561 32.293 31.700 0.054 0.000 0.782 406 E N -0.583 119.669 120.200 0.086 0.000 3.544 406 E HA 0.149 4.499 4.350 0.000 0.000 0.264 406 E C -1.942 174.641 176.600 -0.029 0.000 1.225 406 E CA -1.536 54.877 56.400 0.022 0.000 1.045 406 E CB 1.033 30.730 29.700 -0.006 0.000 1.338 406 E HN 0.039 nan 8.360 nan 0.000 0.395 407 P HA -0.178 nan 4.420 nan 0.000 0.219 407 P C 0.769 177.951 177.300 -0.195 0.000 1.150 407 P CA 0.941 63.923 63.100 -0.197 0.000 0.814 407 P CB 0.304 31.972 31.700 -0.055 0.000 0.787 408 Q N -0.823 118.909 119.800 -0.113 0.000 2.482 408 Q HA -0.016 4.324 4.340 0.000 0.000 0.209 408 Q C 1.264 177.205 176.000 -0.097 0.000 0.961 408 Q CA 0.460 56.200 55.803 -0.104 0.000 0.945 408 Q CB -0.539 28.151 28.738 -0.080 0.000 1.012 408 Q HN 0.268 nan 8.270 nan 0.000 0.515 409 N N -0.039 118.598 118.700 -0.105 0.000 2.282 409 N HA 0.100 4.840 4.740 0.000 0.000 0.185 409 N C -0.090 175.368 175.510 -0.088 0.000 1.099 409 N CA -0.076 52.919 53.050 -0.092 0.000 0.878 409 N CB 0.443 38.874 38.487 -0.092 0.000 0.993 409 N HN 0.061 nan 8.380 nan 0.000 0.481 410 L N 0.740 121.878 121.223 -0.143 0.000 2.483 410 L HA 0.083 4.423 4.340 0.000 0.000 0.275 410 L C 0.010 176.839 176.870 -0.069 0.000 1.220 410 L CA -0.307 54.444 54.840 -0.148 0.000 0.833 410 L CB 0.609 42.484 42.059 -0.307 0.000 1.102 410 L HN -0.165 nan 8.230 nan 0.000 0.490 411 V N 3.927 123.831 119.914 -0.018 0.000 2.348 411 V HA 0.182 4.302 4.120 0.000 0.000 0.270 411 V C 0.093 176.227 176.094 0.066 0.000 1.037 411 V CA -0.346 61.980 62.300 0.043 0.000 0.872 411 V CB 1.254 33.108 31.823 0.051 0.000 1.002 411 V HN 0.363 nan 8.190 nan 0.000 0.464 412 L N 7.645 128.880 121.223 0.020 0.000 2.334 412 L HA 0.724 5.064 4.340 0.000 0.000 0.277 412 L C -0.580 176.335 176.870 0.076 0.000 1.075 412 L CA 0.127 54.931 54.840 -0.060 0.000 0.804 412 L CB 1.023 42.991 42.059 -0.152 0.000 1.174 412 L HN 0.577 nan 8.230 nan 0.000 0.438 413 F N 1.397 121.309 119.950 -0.064 0.000 2.578 413 F HA 0.677 5.204 4.527 0.000 0.000 0.311 413 F C 0.871 176.665 175.800 -0.010 0.000 1.094 413 F CA -0.629 57.355 58.000 -0.027 0.000 0.923 413 F CB 1.174 40.128 39.000 -0.076 0.000 1.230 413 F HN 0.456 nan 8.300 nan 0.000 0.450 414 G N 0.550 109.442 108.800 0.153 0.000 2.443 414 G HA2 0.388 4.349 3.960 0.000 0.000 0.219 414 G HA3 0.388 4.349 3.960 0.000 0.000 0.219 414 G C 0.411 175.360 174.900 0.081 0.000 1.131 414 G CA 0.488 45.622 45.100 0.056 0.000 0.775 414 G HN 1.394 nan 8.290 nan 0.000 0.547 415 G N -0.946 107.987 108.800 0.221 0.000 2.313 415 G HA2 0.459 4.419 3.960 0.000 0.000 0.296 415 G HA3 0.459 4.419 3.960 0.000 0.000 0.296 415 G C -1.648 173.269 174.900 0.028 0.000 1.356 415 G CA -0.199 45.027 45.100 0.210 0.000 0.833 415 G HN 0.796 nan 8.290 nan 0.000 0.552 416 N N -2.752 115.792 118.700 -0.259 0.000 2.972 416 N HA 0.373 5.113 4.740 0.000 0.000 0.262 416 N C 0.826 175.813 175.510 -0.872 0.000 1.478 416 N CA -0.198 52.444 53.050 -0.680 0.000 0.841 416 N CB 0.503 38.691 38.487 -0.498 0.000 1.512 416 N HN 0.737 nan 8.380 nan 0.000 0.548 417 H N -1.660 116.794 119.070 -1.028 0.000 2.561 417 H HA 0.075 4.631 4.556 0.000 0.000 0.278 417 H C -0.692 174.592 175.328 -0.074 0.000 1.014 417 H CA 0.901 56.652 56.048 -0.496 0.000 1.211 417 H CB -0.207 29.415 29.762 -0.233 0.000 1.365 417 H HN 0.557 nan 8.280 nan 0.000 0.594 418 D N 0.651 120.722 120.400 -0.548 0.000 2.369 418 D HA 0.126 4.766 4.640 0.000 0.000 0.211 418 D C 1.187 177.413 176.300 -0.122 0.000 1.077 418 D CA 0.184 54.052 54.000 -0.221 0.000 0.842 418 D CB 0.729 41.476 40.800 -0.087 0.000 0.947 418 D HN 0.582 nan 8.370 nan 0.000 0.509 419 M N -1.522 117.802 119.600 -0.459 0.000 2.704 419 M HA 0.708 5.189 4.480 0.000 0.000 0.284 419 M C -0.953 174.734 176.300 -1.022 0.000 1.275 419 M CA -1.090 53.855 55.300 -0.590 0.000 0.811 419 M CB 2.080 34.619 32.600 -0.100 0.000 1.741 419 M HN -0.255 nan 8.290 nan 0.000 0.458 420 A N 1.482 123.921 122.820 -0.637 0.000 2.507 420 A HA 0.330 4.650 4.320 0.000 0.000 0.235 420 A C 0.071 177.642 177.584 -0.022 0.000 1.070 420 A CA -0.178 51.720 52.037 -0.231 0.000 0.768 420 A CB 0.124 19.130 19.000 0.009 0.000 1.011 420 A HN 0.757 nan 8.150 nan 0.000 0.502 421 R N 1.577 122.173 120.500 0.161 0.000 2.537 421 R HA 0.033 4.373 4.340 0.000 0.000 0.280 421 R C 1.408 177.839 176.300 0.218 0.000 1.058 421 R CA 0.038 56.274 56.100 0.225 0.000 1.057 421 R CB 0.291 30.760 30.300 0.282 0.000 0.973 421 R HN 0.997 nan 8.270 nan 0.000 0.438 422 M N 2.677 122.425 119.600 0.246 0.000 2.089 422 M HA -0.278 4.202 4.480 0.000 0.000 0.257 422 M C 1.473 178.025 176.300 0.420 0.000 1.071 422 M CA 2.052 57.528 55.300 0.294 0.000 1.096 422 M CB -0.172 32.621 32.600 0.322 0.000 1.330 422 M HN 0.568 nan 8.290 nan 0.000 0.403 423 F N 0.312 120.420 119.950 0.264 0.000 2.146 423 F HA -0.148 4.379 4.527 0.000 0.000 0.298 423 F C 2.355 178.241 175.800 0.143 0.000 1.096 423 F CA 1.872 59.983 58.000 0.184 0.000 1.275 423 F CB -0.642 38.364 39.000 0.010 0.000 1.008 423 F HN 0.131 nan 8.300 nan 0.000 0.480 424 S N 0.249 116.003 115.700 0.091 0.000 2.383 424 S HA -0.077 4.393 4.470 0.000 0.000 0.227 424 S C 2.341 176.942 174.600 0.001 0.000 1.026 424 S CA 0.833 59.023 58.200 -0.018 0.000 0.981 424 S CB -0.768 62.481 63.200 0.081 0.000 0.818 424 S HN 0.485 nan 8.310 nan 0.000 0.472 425 A N 1.413 124.274 122.820 0.068 0.000 1.940 425 A HA 0.056 4.377 4.320 0.000 0.000 0.219 425 A C 2.058 179.663 177.584 0.035 0.000 1.176 425 A CA 1.675 53.746 52.037 0.058 0.000 0.631 425 A CB -0.723 18.323 19.000 0.078 0.000 0.814 425 A HN 0.523 nan 8.150 nan 0.000 0.446 426 A N -1.677 121.170 122.820 0.045 0.000 2.337 426 A HA 0.445 4.765 4.320 0.000 0.000 0.227 426 A C 1.547 179.104 177.584 -0.044 0.000 1.259 426 A CA 0.977 53.033 52.037 0.032 0.000 0.870 426 A CB -1.091 17.983 19.000 0.123 0.000 0.927 426 A HN 1.936 nan 8.150 nan 0.000 0.497 427 G N -0.197 108.544 108.800 -0.099 0.000 2.198 427 G HA2 -0.247 3.713 3.960 0.000 0.000 0.257 427 G HA3 -0.247 3.713 3.960 0.000 0.000 0.257 427 G C -0.015 174.727 174.900 -0.262 0.000 1.042 427 G CA 0.282 45.304 45.100 -0.130 0.000 0.791 427 G HN 0.820 nan 8.290 nan 0.000 0.502 428 E N -1.023 118.824 120.200 -0.589 0.000 2.297 428 E HA -0.209 4.141 4.350 0.000 0.000 0.228 428 E C -0.225 176.037 176.600 -0.562 0.000 1.213 428 E CA 1.102 56.764 56.400 -1.230 0.000 0.712 428 E CB -0.591 28.685 29.700 -0.707 0.000 1.202 428 E HN 0.541 nan 8.360 nan 0.000 0.376 429 D N -0.424 119.828 120.400 -0.247 0.000 2.462 429 D HA 0.153 4.794 4.640 0.000 0.000 0.245 429 D C 0.105 176.632 176.300 0.377 0.000 1.122 429 D CA -0.661 53.408 54.000 0.115 0.000 0.864 429 D CB 0.415 41.260 40.800 0.075 0.000 1.098 429 D HN 0.036 nan 8.370 nan 0.000 0.541 430 F N 3.066 123.236 119.950 0.367 0.000 2.202 430 F HA -0.179 4.349 4.527 0.000 0.000 0.301 430 F C 1.505 177.540 175.800 0.393 0.000 1.082 430 F CA 1.520 59.769 58.000 0.414 0.000 1.313 430 F CB 0.420 39.566 39.000 0.242 0.000 1.024 430 F HN 0.356 nan 8.300 nan 0.000 0.495 431 D N -0.083 120.535 120.400 0.364 0.000 2.097 431 D HA -0.130 4.510 4.640 0.000 0.000 0.197 431 D C 2.372 178.763 176.300 0.153 0.000 0.984 431 D CA 1.178 55.315 54.000 0.227 0.000 0.826 431 D CB -0.365 40.551 40.800 0.194 0.000 0.973 431 D HN 0.344 nan 8.370 nan 0.000 0.460 432 R N -0.428 120.172 120.500 0.167 0.000 2.115 432 R HA -0.107 4.233 4.340 0.000 0.000 0.230 432 R C 2.150 178.545 176.300 0.158 0.000 1.111 432 R CA 0.670 56.848 56.100 0.130 0.000 0.976 432 R CB -0.280 30.084 30.300 0.106 0.000 0.870 432 R HN 0.279 nan 8.270 nan 0.000 0.445 433 W N 1.718 123.041 121.300 0.038 0.000 2.402 433 W HA -0.092 4.569 4.660 0.000 0.000 0.286 433 W C 2.180 178.671 176.519 -0.047 0.000 1.221 433 W CA 0.997 58.367 57.345 0.043 0.000 1.257 433 W CB 0.032 29.574 29.460 0.136 0.000 1.120 433 W HN -0.121 nan 8.180 nan 0.000 0.551 434 R N -0.241 120.228 120.500 -0.051 0.000 2.115 434 R HA -0.103 4.237 4.340 0.000 0.000 0.226 434 R C 2.214 178.432 176.300 -0.136 0.000 1.100 434 R CA 1.759 57.736 56.100 -0.205 0.000 0.980 434 R CB -0.369 29.872 30.300 -0.098 0.000 0.875 434 R HN 0.217 nan 8.270 nan 0.000 0.445 435 M N -0.216 119.363 119.600 -0.035 0.000 2.067 435 M HA -0.171 4.309 4.480 0.000 0.000 0.260 435 M C 2.076 178.411 176.300 0.058 0.000 1.069 435 M CA 2.013 57.332 55.300 0.031 0.000 1.117 435 M CB -0.551 32.085 32.600 0.060 0.000 1.334 435 M HN 0.258 nan 8.290 nan 0.000 0.407 436 N N 0.515 119.210 118.700 -0.008 0.000 2.069 436 N HA -0.214 4.526 4.740 0.000 0.000 0.191 436 N C 1.653 177.181 175.510 0.030 0.000 1.031 436 N CA 1.084 54.151 53.050 0.029 0.000 0.852 436 N CB 0.012 38.476 38.487 -0.039 0.000 1.018 436 N HN 0.127 nan 8.380 nan 0.000 0.423 437 L N 0.516 121.596 121.223 -0.238 0.000 1.994 437 L HA -0.112 4.228 4.340 0.000 0.000 0.208 437 L C 2.061 178.913 176.870 -0.030 0.000 1.071 437 L CA 1.475 56.175 54.840 -0.233 0.000 0.745 437 L CB -0.802 40.892 42.059 -0.609 0.000 0.892 437 L HN 0.048 nan 8.230 nan 0.000 0.431 438 V N -0.288 119.618 119.914 -0.014 0.000 2.332 438 V HA -0.331 3.789 4.120 0.000 0.000 0.248 438 V C 2.360 178.558 176.094 0.173 0.000 1.055 438 V CA 2.191 64.532 62.300 0.069 0.000 1.038 438 V CB -0.943 30.901 31.823 0.035 0.000 0.651 438 V HN 0.605 nan 8.190 nan 0.000 0.450 439 F N 0.653 120.660 119.950 0.096 0.000 2.065 439 F HA -0.250 4.277 4.527 0.000 0.000 0.298 439 F C 2.084 177.952 175.800 0.115 0.000 1.112 439 F CA 2.211 60.318 58.000 0.178 0.000 1.212 439 F CB -0.485 38.629 39.000 0.189 0.000 0.975 439 F HN 0.151 nan 8.300 nan 0.000 0.476 440 L N 0.159 121.383 121.223 0.002 0.000 2.083 440 L HA -0.185 4.155 4.340 0.000 0.000 0.209 440 L C 1.951 178.784 176.870 -0.062 0.000 1.083 440 L CA 1.770 56.552 54.840 -0.097 0.000 0.752 440 L CB -0.659 41.455 42.059 0.091 0.000 0.899 440 L HN 0.205 nan 8.230 nan 0.000 0.433 441 M N -1.188 118.425 119.600 0.022 0.000 2.556 441 M HA 0.078 4.558 4.480 0.000 0.000 0.245 441 M C 1.608 177.939 176.300 0.052 0.000 1.128 441 M CA 1.204 56.538 55.300 0.056 0.000 1.069 441 M CB -1.106 31.564 32.600 0.116 0.000 1.469 441 M HN 0.569 nan 8.290 nan 0.000 0.494 442 T N -4.222 110.351 114.554 0.032 0.000 2.975 442 T HA 0.258 4.608 4.350 0.000 0.000 0.257 442 T C 0.899 175.590 174.700 -0.014 0.000 1.003 442 T CA -0.250 61.890 62.100 0.066 0.000 0.932 442 T CB 0.535 69.519 68.868 0.194 0.000 1.087 442 T HN -0.042 nan 8.240 nan 0.000 0.512 443 M N 3.422 122.910 119.600 -0.186 0.000 2.252 443 M HA 0.243 4.723 4.480 0.000 0.000 0.333 443 M C -2.292 173.901 176.300 -0.178 0.000 1.111 443 M CA -2.277 52.846 55.300 -0.296 0.000 1.140 443 M CB 0.107 32.380 32.600 -0.544 0.000 1.538 443 M HN -0.014 nan 8.290 nan 0.000 0.448 444 P HA 0.196 nan 4.420 nan 0.000 0.244 444 P C -0.588 176.641 177.300 -0.120 0.000 1.769 444 P CA 0.229 63.259 63.100 -0.116 0.000 1.102 444 P CB 0.137 31.771 31.700 -0.110 0.000 1.937 445 R N 1.327 121.763 120.500 -0.106 0.000 2.766 445 R HA 0.517 4.857 4.340 0.000 0.000 0.270 445 R C -0.110 176.165 176.300 -0.042 0.000 1.035 445 R CA -1.174 54.869 56.100 -0.094 0.000 0.911 445 R CB 1.118 31.341 30.300 -0.129 0.000 1.243 445 R HN 0.197 nan 8.270 nan 0.000 0.460 446 I N 4.082 124.648 120.570 -0.006 0.000 2.337 446 I HA 0.206 4.376 4.170 0.000 0.000 0.291 446 I C -1.888 174.271 176.117 0.070 0.000 1.046 446 I CA -1.798 59.534 61.300 0.054 0.000 1.324 446 I CB 1.247 39.330 38.000 0.138 0.000 1.409 446 I HN 0.046 nan 8.210 nan 0.000 0.494 447 P HA 0.090 nan 4.420 nan 0.000 0.281 447 P C -1.125 176.314 177.300 0.231 0.000 1.252 447 P CA -0.336 62.848 63.100 0.140 0.000 0.778 447 P CB 1.284 33.065 31.700 0.135 0.000 0.895 448 Q N 3.401 123.368 119.800 0.277 0.000 2.340 448 Q HA 0.449 4.790 4.340 0.000 0.000 0.268 448 Q C -2.151 174.089 176.000 0.400 0.000 1.031 448 Q CA -0.775 55.221 55.803 0.321 0.000 0.804 448 Q CB 1.672 30.575 28.738 0.275 0.000 1.286 448 Q HN 0.413 nan 8.270 nan 0.000 0.448 449 F N 4.047 124.106 119.950 0.182 0.000 2.518 449 F HA 0.334 4.861 4.527 0.000 0.000 0.323 449 F C -1.407 174.338 175.800 -0.093 0.000 1.129 449 F CA -0.798 57.286 58.000 0.141 0.000 0.920 449 F CB 1.102 40.281 39.000 0.299 0.000 1.160 449 F HN 0.539 nan 8.300 nan 0.000 0.440 450 Y N 4.759 124.791 120.300 -0.447 0.000 2.335 450 Y HA 0.296 4.846 4.550 0.000 0.000 0.331 450 Y C 0.365 176.030 175.900 -0.391 0.000 1.094 450 Y CA -0.354 57.490 58.100 -0.426 0.000 1.253 450 Y CB 0.927 39.222 38.460 -0.276 0.000 1.203 450 Y HN 0.547 nan 8.280 nan 0.000 0.508 451 S N 4.051 119.169 115.700 -0.971 0.000 2.525 451 S HA 0.388 4.858 4.470 0.000 0.000 0.285 451 S C 0.982 175.402 174.600 -0.300 0.000 1.283 451 S CA 1.053 58.843 58.200 -0.684 0.000 1.072 451 S CB -0.504 62.199 63.200 -0.829 0.000 0.867 451 S HN 1.378 nan 8.310 nan 0.000 0.492 452 G N 4.764 113.748 108.800 0.306 0.000 2.307 452 G HA2 -0.181 3.780 3.960 0.000 0.000 0.210 452 G HA3 -0.181 3.780 3.960 0.000 0.000 0.210 452 G C 0.514 175.549 174.900 0.224 0.000 1.005 452 G CA 0.296 45.567 45.100 0.286 0.000 0.634 452 G HN 0.649 nan 8.290 nan 0.000 0.496 453 D N 1.483 122.006 120.400 0.205 0.000 2.350 453 D HA 0.021 4.661 4.640 0.000 0.000 0.216 453 D C 2.339 179.043 176.300 0.673 0.000 0.968 453 D CA 1.248 55.408 54.000 0.268 0.000 0.894 453 D CB 0.008 40.727 40.800 -0.134 0.000 0.909 453 D HN 0.763 nan 8.370 nan 0.000 0.520 454 E N 0.913 121.607 120.200 0.824 0.000 2.478 454 E HA -0.073 4.278 4.350 0.000 0.000 0.194 454 E C 1.406 178.194 176.600 0.312 0.000 1.045 454 E CA 0.233 57.066 56.400 0.721 0.000 0.868 454 E CB -0.187 29.887 29.700 0.624 0.000 0.885 454 E HN 0.435 nan 8.360 nan 0.000 0.505 455 I N -1.849 118.811 120.570 0.150 0.000 3.658 455 I HA 0.295 4.466 4.170 0.000 0.000 0.328 455 I C 0.104 176.079 176.117 -0.237 0.000 1.567 455 I CA -0.757 60.501 61.300 -0.070 0.000 1.078 455 I CB 0.090 38.027 38.000 -0.104 0.000 1.267 455 I HN -0.186 nan 8.210 nan 0.000 0.495 456 L N 0.111 121.128 121.223 -0.343 0.000 3.634 456 L HA -0.197 4.143 4.340 0.000 0.000 0.423 456 L C 0.209 176.927 176.870 -0.253 0.000 1.253 456 L CA 0.566 55.016 54.840 -0.650 0.000 0.885 456 L CB -1.733 39.464 42.059 -1.437 0.000 1.789 456 L HN 0.568 nan 8.230 nan 0.000 0.904 457 M N 0.552 120.129 119.600 -0.037 0.000 2.248 457 M HA 0.164 4.645 4.480 0.000 0.000 0.345 457 M C 1.162 177.574 176.300 0.187 0.000 1.243 457 M CA 0.986 56.321 55.300 0.058 0.000 1.090 457 M CB 0.744 33.383 32.600 0.064 0.000 1.683 457 M HN 0.383 nan 8.290 nan 0.000 0.450 458 T N 0.015 114.680 114.554 0.184 0.000 2.944 458 T HA 0.792 5.142 4.350 0.000 0.000 0.284 458 T C -0.149 174.662 174.700 0.185 0.000 1.010 458 T CA -0.711 61.519 62.100 0.217 0.000 1.025 458 T CB 1.739 70.720 68.868 0.189 0.000 1.079 458 T HN 0.818 nan 8.240 nan 0.000 0.516 459 S N -0.201 115.611 115.700 0.186 0.000 2.636 459 S HA 0.627 5.097 4.470 0.000 0.000 0.268 459 S C -0.236 174.464 174.600 0.167 0.000 1.159 459 S CA -0.651 57.666 58.200 0.196 0.000 0.815 459 S CB 0.672 64.080 63.200 0.346 0.000 1.130 459 S HN 1.313 nan 8.310 nan 0.000 0.471 460 T N -0.627 114.022 114.554 0.158 0.000 2.898 460 T HA 0.485 4.835 4.350 0.000 0.000 0.301 460 T C 1.390 176.209 174.700 0.198 0.000 1.049 460 T CA 0.019 62.201 62.100 0.137 0.000 1.095 460 T CB 0.682 69.604 68.868 0.089 0.000 0.976 460 T HN 1.615 nan 8.240 nan 0.000 0.539 461 V N -1.063 118.930 119.914 0.131 0.000 3.379 461 V HA 0.289 4.410 4.120 0.000 0.000 0.249 461 V C 0.729 176.886 176.094 0.105 0.000 1.184 461 V CA 0.073 62.442 62.300 0.116 0.000 1.106 461 V CB -0.944 30.921 31.823 0.070 0.000 0.826 461 V HN 0.991 nan 8.190 nan 0.000 0.465 462 K N 1.321 121.775 120.400 0.089 0.000 2.138 462 K HA 0.730 5.050 4.320 0.000 0.000 0.263 462 K C 0.509 177.156 176.600 0.079 0.000 0.965 462 K CA 0.096 56.426 56.287 0.071 0.000 0.868 462 K CB 1.655 34.184 32.500 0.047 0.000 1.083 462 K HN 0.670 nan 8.250 nan 0.000 0.443 463 G N 1.418 110.258 108.800 0.067 0.000 2.598 463 G HA2 -0.302 3.659 3.960 0.000 0.000 0.244 463 G HA3 -0.302 3.659 3.960 0.000 0.000 0.244 463 G C -1.098 173.857 174.900 0.091 0.000 1.302 463 G CA -0.279 44.855 45.100 0.057 0.000 0.903 463 G HN 0.832 nan 8.290 nan 0.000 0.575 464 R N 0.532 121.069 120.500 0.061 0.000 2.387 464 R HA 0.560 4.900 4.340 0.000 0.000 0.314 464 R C -1.672 174.627 176.300 -0.001 0.000 0.958 464 R CA -0.420 55.724 56.100 0.073 0.000 0.846 464 R CB 1.263 31.573 30.300 0.018 0.000 1.147 464 R HN 0.526 nan 8.270 nan 0.000 0.447 465 D N 2.913 123.250 120.400 -0.105 0.000 2.584 465 D HA 0.117 4.757 4.640 0.000 0.000 0.238 465 D C -0.319 175.496 176.300 -0.808 0.000 1.302 465 D CA -0.308 53.492 54.000 -0.333 0.000 0.884 465 D CB 1.016 41.661 40.800 -0.258 0.000 1.456 465 D HN 0.476 nan 8.370 nan 0.000 0.528 466 D N 1.250 121.404 120.400 -0.409 0.000 2.097 466 D HA -0.127 4.513 4.640 0.000 0.000 0.195 466 D C 2.008 178.193 176.300 -0.190 0.000 0.989 466 D CA 1.277 55.122 54.000 -0.258 0.000 0.827 466 D CB -0.058 40.736 40.800 -0.009 0.000 0.966 466 D HN 0.471 nan 8.370 nan 0.000 0.456 467 A N 0.487 123.242 122.820 -0.109 0.000 1.978 467 A HA -0.184 4.137 4.320 0.000 0.000 0.220 467 A C 2.333 179.878 177.584 -0.066 0.000 1.170 467 A CA 1.966 53.984 52.037 -0.032 0.000 0.636 467 A CB -0.633 18.353 19.000 -0.023 0.000 0.810 467 A HN 0.215 nan 8.150 nan 0.000 0.448 468 S N -1.548 114.028 115.700 -0.208 0.000 2.383 468 S HA -0.106 4.365 4.470 0.000 0.000 0.227 468 S C 1.741 176.369 174.600 0.048 0.000 1.026 468 S CA 1.316 59.440 58.200 -0.126 0.000 0.981 468 S CB -0.451 62.632 63.200 -0.196 0.000 0.818 468 S HN 0.660 nan 8.310 nan 0.000 0.472 469 Y N 1.014 121.403 120.300 0.147 0.000 2.516 469 Y HA 0.271 4.821 4.550 0.000 0.000 0.291 469 Y C 1.790 177.874 175.900 0.306 0.000 1.131 469 Y CA 0.206 58.425 58.100 0.198 0.000 1.281 469 Y CB -0.281 38.260 38.460 0.135 0.000 1.013 469 Y HN 0.178 nan 8.280 nan 0.000 0.554 470 R N 0.164 120.876 120.500 0.353 0.000 2.662 470 R HA 0.230 4.571 4.340 0.000 0.000 0.396 470 R C -0.028 176.396 176.300 0.207 0.000 1.096 470 R CA -0.320 55.998 56.100 0.363 0.000 1.081 470 R CB 0.525 31.067 30.300 0.403 0.000 1.382 470 R HN 0.068 nan 8.270 nan 0.000 0.580 471 R N 1.234 121.833 120.500 0.166 0.000 2.694 471 R HA 0.025 4.366 4.340 0.000 0.000 0.268 471 R C -0.253 176.114 176.300 0.112 0.000 1.061 471 R CA -0.288 55.870 56.100 0.096 0.000 1.133 471 R CB 0.345 30.687 30.300 0.071 0.000 1.020 471 R HN 0.013 nan 8.270 nan 0.000 0.475 472 D N 1.478 121.911 120.400 0.055 0.000 2.571 472 D HA -0.136 4.504 4.640 0.000 0.000 0.231 472 D C -0.403 175.999 176.300 0.169 0.000 1.133 472 D CA 0.685 54.706 54.000 0.035 0.000 0.862 472 D CB 0.182 40.780 40.800 -0.338 0.000 1.179 472 D HN 0.224 nan 8.370 nan 0.000 0.474 473 F N 4.001 124.094 119.950 0.237 0.000 2.502 473 F HA 0.217 4.744 4.527 0.000 0.000 0.371 473 F C -1.864 173.998 175.800 0.103 0.000 1.083 473 F CA -2.112 55.981 58.000 0.154 0.000 1.174 473 F CB 0.661 39.786 39.000 0.208 0.000 1.096 473 F HN 0.115 nan 8.300 nan 0.000 0.545 474 P HA 0.202 nan 4.420 nan 0.000 0.261 474 P C 0.408 177.544 177.300 -0.274 0.000 1.203 474 P CA 1.060 63.987 63.100 -0.288 0.000 0.767 474 P CB 0.503 31.972 31.700 -0.384 0.000 0.785 475 G N 2.996 111.831 108.800 0.058 0.000 2.380 475 G HA2 -0.186 3.774 3.960 0.000 0.000 0.197 475 G HA3 -0.186 3.774 3.960 0.000 0.000 0.197 475 G C 1.261 176.408 174.900 0.411 0.000 1.001 475 G CA 0.048 45.275 45.100 0.211 0.000 0.668 475 G HN 0.630 nan 8.290 nan 0.000 0.483 476 G N -0.672 108.408 108.800 0.466 0.000 2.443 476 G HA2 0.124 4.084 3.960 0.000 0.000 0.219 476 G HA3 0.124 4.084 3.960 0.000 0.000 0.219 476 G C 0.736 175.599 174.900 -0.062 0.000 1.131 476 G CA 0.761 45.943 45.100 0.136 0.000 0.775 476 G HN 0.402 nan 8.290 nan 0.000 0.547 477 W N 0.019 121.368 121.300 0.081 0.000 2.512 477 W HA 0.668 5.329 4.660 0.000 0.000 0.335 477 W C 0.105 176.650 176.519 0.043 0.000 1.088 477 W CA -1.547 55.832 57.345 0.057 0.000 1.236 477 W CB 1.421 30.910 29.460 0.048 0.000 1.307 477 W HN 0.097 nan 8.180 nan 0.000 0.567 478 A N 1.189 124.134 122.820 0.209 0.000 2.520 478 A HA 0.435 4.756 4.320 0.000 0.000 0.245 478 A C 0.975 178.636 177.584 0.129 0.000 1.072 478 A CA 1.014 53.127 52.037 0.127 0.000 0.761 478 A CB -0.369 18.680 19.000 0.081 0.000 1.004 478 A HN 1.411 nan 8.150 nan 0.000 0.499 479 G N 2.331 111.185 108.800 0.090 0.000 2.198 479 G HA2 -0.180 3.780 3.960 0.000 0.000 0.257 479 G HA3 -0.180 3.780 3.960 0.000 0.000 0.257 479 G C -0.232 174.707 174.900 0.065 0.000 1.042 479 G CA 0.257 45.396 45.100 0.065 0.000 0.791 479 G HN 0.878 nan 8.290 nan 0.000 0.502 480 D N 0.031 120.484 120.400 0.087 0.000 2.390 480 D HA 0.307 4.947 4.640 0.000 0.000 0.249 480 D C 1.661 177.977 176.300 0.027 0.000 1.144 480 D CA -0.382 53.658 54.000 0.066 0.000 0.880 480 D CB 0.875 41.738 40.800 0.104 0.000 1.182 480 D HN 0.060 nan 8.370 nan 0.000 0.451 481 K N 1.364 121.765 120.400 0.001 0.000 2.001 481 K HA -0.021 4.299 4.320 0.000 0.000 0.208 481 K C 0.618 177.205 176.600 -0.023 0.000 1.048 481 K CA 0.627 56.907 56.287 -0.012 0.000 0.932 481 K CB -0.217 32.270 32.500 -0.022 0.000 0.715 481 K HN 0.436 nan 8.250 nan 0.000 0.437 482 A N 2.094 124.888 122.820 -0.043 0.000 2.310 482 A HA 0.342 4.663 4.320 0.000 0.000 0.299 482 A C -0.267 177.268 177.584 -0.082 0.000 1.147 482 A CA -0.454 51.540 52.037 -0.071 0.000 0.818 482 A CB 0.428 19.367 19.000 -0.102 0.000 1.096 482 A HN 0.269 nan 8.150 nan 0.000 0.495 483 N N 1.192 119.835 118.700 -0.095 0.000 2.533 483 N HA 0.395 5.135 4.740 0.000 0.000 0.289 483 N C 0.296 175.701 175.510 -0.175 0.000 1.103 483 N CA 0.243 53.234 53.050 -0.099 0.000 0.877 483 N CB 1.968 40.463 38.487 0.014 0.000 1.419 483 N HN 0.556 nan 8.380 nan 0.000 0.517 484 A N 3.261 125.843 122.820 -0.397 0.000 2.016 484 A HA 0.075 4.395 4.320 0.000 0.000 0.217 484 A C 1.337 178.710 177.584 -0.352 0.000 1.162 484 A CA 0.804 52.585 52.037 -0.428 0.000 0.662 484 A CB -0.487 18.085 19.000 -0.713 0.000 0.812 484 A HN 0.632 nan 8.150 nan 0.000 0.450 485 F N 1.107 120.925 119.950 -0.221 0.000 2.186 485 F HA -0.166 4.361 4.527 0.000 0.000 0.299 485 F C 2.815 178.592 175.800 -0.039 0.000 1.090 485 F CA 1.524 59.365 58.000 -0.266 0.000 1.307 485 F CB -0.071 38.778 39.000 -0.252 0.000 1.019 485 F HN 0.346 nan 8.300 nan 0.000 0.489 486 S N -1.494 114.298 115.700 0.152 0.000 2.483 486 S HA 0.442 4.913 4.470 0.000 0.000 0.221 486 S C 1.785 176.427 174.600 0.070 0.000 1.030 486 S CA 0.428 58.698 58.200 0.115 0.000 0.925 486 S CB 0.596 63.855 63.200 0.099 0.000 0.795 486 S HN 0.531 nan 8.310 nan 0.000 0.511 487 G N 1.268 110.087 108.800 0.032 0.000 2.232 487 G HA2 -0.076 3.884 3.960 0.000 0.000 0.226 487 G HA3 -0.076 3.884 3.960 0.000 0.000 0.226 487 G C 0.335 175.229 174.900 -0.009 0.000 0.996 487 G CA -0.133 44.975 45.100 0.013 0.000 0.626 487 G HN 1.264 nan 8.290 nan 0.000 0.509 488 A N 0.233 123.052 122.820 -0.003 0.000 2.498 488 A HA 0.612 4.932 4.320 0.000 0.000 0.239 488 A C 2.170 179.735 177.584 -0.031 0.000 1.068 488 A CA 2.099 54.130 52.037 -0.010 0.000 0.766 488 A CB -0.123 18.879 19.000 0.003 0.000 1.003 488 A HN 2.415 nan 8.150 nan 0.000 0.497 489 G N 0.182 108.963 108.800 -0.032 0.000 2.212 489 G HA2 -0.196 3.764 3.960 0.000 0.000 0.266 489 G HA3 -0.196 3.764 3.960 0.000 0.000 0.266 489 G C 0.040 174.905 174.900 -0.060 0.000 0.978 489 G CA 0.610 45.684 45.100 -0.043 0.000 0.632 489 G HN 0.801 nan 8.290 nan 0.000 0.537 490 L N 1.946 123.130 121.223 -0.066 0.000 2.395 490 L HA 0.586 4.926 4.340 0.000 0.000 0.269 490 L C 1.608 178.435 176.870 -0.072 0.000 1.133 490 L CA 0.408 55.199 54.840 -0.081 0.000 0.812 490 L CB 1.025 43.034 42.059 -0.084 0.000 1.125 490 L HN 0.437 nan 8.230 nan 0.000 0.452 491 T N -1.263 113.240 114.554 -0.085 0.000 2.754 491 T HA 0.145 4.495 4.350 0.000 0.000 0.286 491 T C 1.298 175.941 174.700 -0.094 0.000 0.997 491 T CA -0.184 61.866 62.100 -0.084 0.000 0.982 491 T CB 0.515 69.330 68.868 -0.089 0.000 1.027 491 T HN 0.494 nan 8.240 nan 0.000 0.529 492 S N -0.183 115.460 115.700 -0.096 0.000 2.382 492 S HA -0.143 4.327 4.470 0.000 0.000 0.228 492 S C 2.066 176.563 174.600 -0.170 0.000 1.027 492 S CA 1.280 59.413 58.200 -0.111 0.000 0.991 492 S CB -0.502 62.636 63.200 -0.103 0.000 0.823 492 S HN 0.810 nan 8.310 nan 0.000 0.469 493 Q N 0.634 120.305 119.800 -0.214 0.000 2.119 493 Q HA -0.108 4.232 4.340 0.000 0.000 0.201 493 Q C 2.160 177.995 176.000 -0.274 0.000 0.972 493 Q CA 1.089 56.686 55.803 -0.343 0.000 0.847 493 Q CB -0.054 28.507 28.738 -0.295 0.000 0.903 493 Q HN 0.600 nan 8.270 nan 0.000 0.433 494 Q N -0.455 119.221 119.800 -0.208 0.000 2.172 494 Q HA -0.156 4.184 4.340 0.000 0.000 0.200 494 Q C 2.037 177.983 176.000 -0.090 0.000 0.964 494 Q CA 0.984 56.678 55.803 -0.182 0.000 0.855 494 Q CB 0.017 28.651 28.738 -0.174 0.000 0.918 494 Q HN 0.111 nan 8.270 nan 0.000 0.444 495 R N 0.654 121.110 120.500 -0.073 0.000 2.092 495 R HA -0.054 4.286 4.340 0.000 0.000 0.231 495 R C 1.964 178.275 176.300 0.020 0.000 1.119 495 R CA 1.344 57.433 56.100 -0.019 0.000 0.970 495 R CB -0.308 29.975 30.300 -0.028 0.000 0.864 495 R HN 0.230 nan 8.270 nan 0.000 0.440 496 A N -0.065 122.747 122.820 -0.013 0.000 1.968 496 A HA 0.058 4.379 4.320 0.000 0.000 0.217 496 A C 2.242 179.989 177.584 0.271 0.000 1.169 496 A CA 1.317 53.391 52.037 0.062 0.000 0.638 496 A CB -0.690 18.255 19.000 -0.091 0.000 0.812 496 A HN 0.446 nan 8.150 nan 0.000 0.446 497 A N -0.488 122.491 122.820 0.266 0.000 1.877 497 A HA -0.224 4.096 4.320 0.000 0.000 0.216 497 A C 2.200 179.993 177.584 0.348 0.000 1.186 497 A CA 1.798 54.019 52.037 0.307 0.000 0.620 497 A CB -0.621 18.268 19.000 -0.185 0.000 0.822 497 A HN 0.626 nan 8.150 nan 0.000 0.443 498 Q N -0.682 119.248 119.800 0.217 0.000 2.119 498 Q HA -0.214 4.126 4.340 0.000 0.000 0.201 498 Q C 1.235 177.345 176.000 0.184 0.000 0.972 498 Q CA 1.684 57.621 55.803 0.222 0.000 0.847 498 Q CB -0.147 28.708 28.738 0.195 0.000 0.903 498 Q HN 0.580 nan 8.270 nan 0.000 0.433 499 D N 0.323 120.819 120.400 0.160 0.000 2.144 499 D HA -0.152 4.489 4.640 0.000 0.000 0.199 499 D C 1.811 178.186 176.300 0.126 0.000 0.984 499 D CA 0.742 54.815 54.000 0.121 0.000 0.834 499 D CB -0.036 40.820 40.800 0.093 0.000 0.955 499 D HN 0.239 nan 8.370 nan 0.000 0.465 500 L N 0.355 121.694 121.223 0.194 0.000 2.044 500 L HA -0.079 4.261 4.340 0.000 0.000 0.205 500 L C 2.265 179.217 176.870 0.136 0.000 1.075 500 L CA 1.096 56.043 54.840 0.178 0.000 0.747 500 L CB -0.483 41.742 42.059 0.276 0.000 0.903 500 L HN -0.156 nan 8.230 nan 0.000 0.435 501 V N 0.461 120.480 119.914 0.176 0.000 2.282 501 V HA -0.353 3.767 4.120 0.000 0.000 0.249 501 V C 2.804 178.869 176.094 -0.048 0.000 1.057 501 V CA 2.303 64.629 62.300 0.043 0.000 1.032 501 V CB -0.838 31.014 31.823 0.048 0.000 0.645 501 V HN 0.561 nan 8.190 nan 0.000 0.447 502 R N 0.447 120.947 120.500 -0.001 0.000 2.082 502 R HA -0.240 4.100 4.340 0.000 0.000 0.234 502 R C 2.488 178.795 176.300 0.011 0.000 1.136 502 R CA 2.333 58.414 56.100 -0.031 0.000 0.935 502 R CB -0.413 29.895 30.300 0.013 0.000 0.842 502 R HN 0.481 nan 8.270 nan 0.000 0.430 503 K N 0.081 120.520 120.400 0.064 0.000 2.063 503 K HA -0.185 4.135 4.320 0.000 0.000 0.208 503 K C 2.087 178.833 176.600 0.243 0.000 1.048 503 K CA 1.497 57.858 56.287 0.124 0.000 0.928 503 K CB -0.101 32.432 32.500 0.056 0.000 0.713 503 K HN 0.196 nan 8.250 nan 0.000 0.442 504 L N 0.533 121.867 121.223 0.185 0.000 2.068 504 L HA 0.048 4.388 4.340 0.000 0.000 0.204 504 L C 2.248 179.271 176.870 0.255 0.000 1.076 504 L CA 1.765 56.764 54.840 0.265 0.000 0.753 504 L CB -0.522 41.624 42.059 0.144 0.000 0.910 504 L HN 0.206 nan 8.230 nan 0.000 0.439 505 A N -0.746 122.082 122.820 0.014 0.000 1.930 505 A HA -0.167 4.153 4.320 0.000 0.000 0.217 505 A C 2.081 179.597 177.584 -0.112 0.000 1.175 505 A CA 1.599 53.544 52.037 -0.153 0.000 0.627 505 A CB -0.662 18.027 19.000 -0.519 0.000 0.815 505 A HN 0.558 nan 8.150 nan 0.000 0.443 506 N N -1.359 117.311 118.700 -0.049 0.000 2.188 506 N HA -0.192 4.548 4.740 0.000 0.000 0.184 506 N C 1.564 177.110 175.510 0.060 0.000 1.018 506 N CA 1.620 54.665 53.050 -0.008 0.000 0.858 506 N CB -0.369 38.131 38.487 0.023 0.000 0.989 506 N HN 0.827 nan 8.380 nan 0.000 0.426 507 W N 2.711 123.971 121.300 -0.067 0.000 2.388 507 W HA -0.020 4.640 4.660 0.000 0.000 0.294 507 W C 2.388 178.799 176.519 -0.180 0.000 1.212 507 W CA 0.989 58.248 57.345 -0.143 0.000 1.271 507 W CB -0.287 29.019 29.460 -0.256 0.000 1.126 507 W HN -0.107 nan 8.180 nan 0.000 0.535 508 R N 0.961 121.305 120.500 -0.259 0.000 2.120 508 R HA -0.163 4.177 4.340 0.000 0.000 0.234 508 R C 2.109 178.246 176.300 -0.272 0.000 1.123 508 R CA 1.552 57.373 56.100 -0.465 0.000 0.975 508 R CB -0.296 29.911 30.300 -0.154 0.000 0.866 508 R HN 0.191 nan 8.270 nan 0.000 0.446 509 K N -0.127 120.190 120.400 -0.139 0.000 2.209 509 K HA -0.068 4.252 4.320 0.000 0.000 0.204 509 K C 0.979 177.542 176.600 -0.061 0.000 1.048 509 K CA 0.878 57.148 56.287 -0.028 0.000 0.940 509 K CB -0.001 32.467 32.500 -0.053 0.000 0.729 509 K HN 0.203 nan 8.250 nan 0.000 0.451 510 N N 1.032 119.595 118.700 -0.229 0.000 2.268 510 N HA -0.014 4.726 4.740 0.000 0.000 0.204 510 N C -0.424 174.840 175.510 -0.411 0.000 1.124 510 N CA 0.424 53.326 53.050 -0.246 0.000 0.838 510 N CB 0.670 39.047 38.487 -0.183 0.000 0.994 510 N HN 0.097 nan 8.380 nan 0.000 0.489 511 Q N 0.533 119.954 119.800 -0.632 0.000 2.644 511 Q HA 0.274 4.614 4.340 0.000 0.000 0.245 511 Q C -1.758 173.661 176.000 -0.968 0.000 1.064 511 Q CA -1.762 53.587 55.803 -0.756 0.000 0.860 511 Q CB 1.474 29.616 28.738 -0.993 0.000 1.145 511 Q HN 0.139 nan 8.270 nan 0.000 0.515 512 P HA -0.154 nan 4.420 nan 0.000 0.221 512 P C 1.321 178.405 177.300 -0.360 0.000 1.145 512 P CA 0.602 63.417 63.100 -0.475 0.000 0.795 512 P CB 0.479 32.083 31.700 -0.160 0.000 0.775 513 V N -0.041 119.673 119.914 -0.333 0.000 2.490 513 V HA -0.190 3.930 4.120 0.000 0.000 0.250 513 V C 2.304 178.265 176.094 -0.222 0.000 1.061 513 V CA 1.451 63.620 62.300 -0.220 0.000 1.064 513 V CB -0.866 30.865 31.823 -0.153 0.000 0.670 513 V HN -0.054 nan 8.190 nan 0.000 0.461 514 I N -0.530 119.837 120.570 -0.337 0.000 2.500 514 I HA -0.157 4.013 4.170 0.000 0.000 0.252 514 I C 2.286 178.326 176.117 -0.127 0.000 1.142 514 I CA 1.523 62.679 61.300 -0.240 0.000 1.451 514 I CB -0.518 37.299 38.000 -0.306 0.000 1.093 514 I HN 0.445 nan 8.210 nan 0.000 0.430 515 H N 0.701 119.681 119.070 -0.150 0.000 2.293 515 H HA -0.088 4.468 4.556 0.000 0.000 0.300 515 H C 1.602 176.865 175.328 -0.108 0.000 1.082 515 H CA 1.919 57.894 56.048 -0.121 0.000 1.308 515 H CB -0.040 29.652 29.762 -0.117 0.000 1.375 515 H HN 0.414 nan 8.280 nan 0.000 0.495 516 N N -0.205 118.497 118.700 0.004 0.000 2.516 516 N HA 0.070 4.810 4.740 0.000 0.000 0.197 516 N C 1.101 176.556 175.510 -0.091 0.000 1.064 516 N CA 0.145 53.172 53.050 -0.039 0.000 0.866 516 N CB 0.555 39.022 38.487 -0.033 0.000 1.255 516 N HN 0.149 nan 8.380 nan 0.000 0.447 517 G N 1.110 109.836 108.800 -0.123 0.000 2.771 517 G HA2 0.072 4.032 3.960 0.000 0.000 0.242 517 G HA3 0.072 4.032 3.960 0.000 0.000 0.242 517 G C -0.020 174.737 174.900 -0.237 0.000 1.233 517 G CA -0.245 44.746 45.100 -0.182 0.000 0.858 517 G HN 0.149 nan 8.290 nan 0.000 0.591 518 R N -1.250 118.989 120.500 -0.435 0.000 2.726 518 R HA 0.430 4.770 4.340 0.000 0.000 0.272 518 R C -0.449 175.647 176.300 -0.340 0.000 1.097 518 R CA -0.529 55.271 56.100 -0.500 0.000 1.198 518 R CB 0.508 30.292 30.300 -0.859 0.000 1.114 518 R HN 0.334 nan 8.270 nan 0.000 0.550 519 L N 1.106 122.264 121.223 -0.109 0.000 2.385 519 L HA 0.476 4.817 4.340 0.000 0.000 0.273 519 L C -1.199 175.832 176.870 0.268 0.000 0.990 519 L CA -0.261 54.642 54.840 0.103 0.000 0.821 519 L CB 1.837 43.885 42.059 -0.019 0.000 1.279 519 L HN 0.606 nan 8.230 nan 0.000 0.412 520 M N 5.736 125.607 119.600 0.451 0.000 2.142 520 M HA 0.459 4.939 4.480 0.000 0.000 0.299 520 M C -1.529 175.030 176.300 0.431 0.000 0.960 520 M CA -0.395 55.114 55.300 0.350 0.000 0.920 520 M CB 0.911 33.644 32.600 0.222 0.000 1.541 520 M HN 0.914 nan 8.290 nan 0.000 0.429 521 H N 2.041 121.253 119.070 0.236 0.000 2.621 521 H HA 0.681 5.237 4.556 0.000 0.000 0.360 521 H C -1.838 173.658 175.328 0.280 0.000 1.163 521 H CA -1.034 55.249 56.048 0.391 0.000 1.194 521 H CB 1.492 31.589 29.762 0.558 0.000 1.649 521 H HN 0.514 nan 8.280 nan 0.000 0.532 522 F N 0.612 120.839 119.950 0.461 0.000 2.458 522 F HA 0.377 4.904 4.527 0.000 0.000 0.330 522 F C 1.082 176.863 175.800 -0.031 0.000 1.082 522 F CA -0.706 57.461 58.000 0.279 0.000 0.995 522 F CB 1.870 41.122 39.000 0.419 0.000 1.170 522 F HN 0.845 nan 8.300 nan 0.000 0.478 523 G N 2.692 111.336 108.800 -0.259 0.000 2.299 523 G HA2 0.316 4.276 3.960 0.000 0.000 0.256 523 G HA3 0.316 4.276 3.960 0.000 0.000 0.256 523 G C -2.757 171.975 174.900 -0.281 0.000 1.259 523 G CA -1.021 43.540 45.100 -0.899 0.000 0.943 523 G HN 0.261 nan 8.290 nan 0.000 0.479 524 P HA 0.085 nan 4.420 nan 0.000 0.263 524 P C -0.249 177.029 177.300 -0.037 0.000 1.195 524 P CA 0.527 63.584 63.100 -0.072 0.000 0.762 524 P CB 0.695 32.263 31.700 -0.219 0.000 0.799 525 E N 2.201 122.426 120.200 0.041 0.000 2.187 525 E HA 0.167 4.517 4.350 0.000 0.000 0.268 525 E C -0.308 176.315 176.600 0.039 0.000 0.896 525 E CA -0.711 55.708 56.400 0.032 0.000 0.766 525 E CB 0.972 30.698 29.700 0.044 0.000 1.142 525 E HN 0.385 nan 8.360 nan 0.000 0.408 526 E N 2.469 122.682 120.200 0.023 0.000 2.269 526 E HA -0.323 4.027 4.350 0.000 0.000 0.223 526 E C -0.312 176.305 176.600 0.029 0.000 1.244 526 E CA 0.133 56.546 56.400 0.023 0.000 0.713 526 E CB -1.023 28.692 29.700 0.026 0.000 1.178 526 E HN 0.615 nan 8.360 nan 0.000 0.370 527 N N -0.687 118.025 118.700 0.021 0.000 2.714 527 N HA -0.167 4.573 4.740 0.000 0.000 0.250 527 N C -0.719 174.827 175.510 0.061 0.000 1.117 527 N CA 1.835 54.900 53.050 0.024 0.000 0.719 527 N CB -0.954 37.542 38.487 0.016 0.000 1.081 527 N HN 0.608 nan 8.380 nan 0.000 0.557 528 T N -3.520 111.087 114.554 0.089 0.000 2.912 528 T HA 0.635 4.985 4.350 0.000 0.000 0.288 528 T C -0.713 174.142 174.700 0.259 0.000 1.030 528 T CA -0.710 61.474 62.100 0.139 0.000 1.020 528 T CB 2.373 71.306 68.868 0.107 0.000 1.056 528 T HN 0.274 nan 8.240 nan 0.000 0.480 529 W N 2.119 123.434 121.300 0.024 0.000 3.211 529 W HA 0.616 5.277 4.660 0.000 0.000 0.335 529 W C -2.249 174.284 176.519 0.023 0.000 1.113 529 W CA -1.339 56.047 57.345 0.068 0.000 1.235 529 W CB 1.557 31.092 29.460 0.126 0.000 1.365 529 W HN 0.709 nan 8.180 nan 0.000 0.476 530 V N 7.996 127.851 119.914 -0.099 0.000 2.487 530 V HA 0.562 4.682 4.120 0.000 0.000 0.298 530 V C -0.878 175.075 176.094 -0.235 0.000 1.028 530 V CA -0.791 61.255 62.300 -0.423 0.000 0.860 530 V CB 0.973 32.345 31.823 -0.751 0.000 0.991 530 V HN 0.376 nan 8.190 nan 0.000 0.427 531 Y N 2.689 122.691 120.300 -0.497 0.000 2.644 531 Y HA 0.894 5.444 4.550 0.000 0.000 0.338 531 Y C -1.810 173.909 175.900 -0.301 0.000 1.119 531 Y CA -1.870 56.125 58.100 -0.174 0.000 1.060 531 Y CB 1.685 39.971 38.460 -0.288 0.000 1.294 531 Y HN 0.367 nan 8.280 nan 0.000 0.472 532 F N 1.180 121.306 119.950 0.293 0.000 2.565 532 F HA 0.677 5.204 4.527 0.000 0.000 0.313 532 F C -0.547 175.444 175.800 0.318 0.000 1.091 532 F CA -1.045 57.087 58.000 0.220 0.000 0.915 532 F CB 2.152 41.274 39.000 0.204 0.000 1.208 532 F HN 0.315 nan 8.300 nan 0.000 0.453 533 R N 3.007 123.745 120.500 0.397 0.000 2.310 533 R HA 0.432 4.772 4.340 0.000 0.000 0.324 533 R C -1.570 174.908 176.300 0.296 0.000 0.955 533 R CA -0.745 55.512 56.100 0.261 0.000 0.830 533 R CB 1.141 31.506 30.300 0.108 0.000 1.154 533 R HN 0.766 nan 8.270 nan 0.000 0.458 534 Y N 0.475 120.827 120.300 0.088 0.000 2.534 534 Y HA 0.661 5.211 4.550 0.000 0.000 0.345 534 Y C -0.703 175.209 175.900 0.020 0.000 1.031 534 Y CA -1.320 56.818 58.100 0.062 0.000 1.022 534 Y CB 1.620 40.125 38.460 0.076 0.000 1.292 534 Y HN 0.624 nan 8.280 nan 0.000 0.459 535 N N 0.417 119.175 118.700 0.098 0.000 3.522 535 N HA 0.213 4.953 4.740 0.000 0.000 0.328 535 N C -0.152 175.409 175.510 0.084 0.000 1.623 535 N CA -0.615 52.453 53.050 0.030 0.000 0.812 535 N CB 0.591 39.047 38.487 -0.051 0.000 2.008 535 N HN 0.705 nan 8.380 nan 0.000 0.601 536 K N -1.385 119.039 120.400 0.041 0.000 2.288 536 K HA 0.053 4.373 4.320 0.000 0.000 0.201 536 K C -0.117 176.499 176.600 0.027 0.000 1.048 536 K CA 1.382 57.692 56.287 0.038 0.000 0.956 536 K CB -0.116 32.396 32.500 0.021 0.000 0.746 536 K HN 0.301 nan 8.250 nan 0.000 0.461 537 D N 0.751 121.159 120.400 0.013 0.000 2.162 537 D HA 0.044 4.684 4.640 0.000 0.000 0.205 537 D C 0.060 176.368 176.300 0.014 0.000 0.964 537 D CA 1.080 55.081 54.000 0.003 0.000 0.847 537 D CB 0.342 41.129 40.800 -0.022 0.000 0.988 537 D HN 0.196 nan 8.370 nan 0.000 0.480 538 K N -0.626 119.791 120.400 0.028 0.000 2.568 538 K HA 0.414 4.734 4.320 0.000 0.000 0.273 538 K C -1.430 175.225 176.600 0.092 0.000 0.951 538 K CA -0.625 55.687 56.287 0.042 0.000 0.854 538 K CB 1.956 34.457 32.500 0.002 0.000 1.424 538 K HN -0.244 nan 8.250 nan 0.000 0.427 539 R N 2.877 123.449 120.500 0.119 0.000 2.494 539 R HA 0.532 4.872 4.340 0.000 0.000 0.305 539 R C -0.773 175.630 176.300 0.172 0.000 0.959 539 R CA -0.663 55.554 56.100 0.196 0.000 0.864 539 R CB 1.376 31.805 30.300 0.216 0.000 1.159 539 R HN 0.450 nan 8.270 nan 0.000 0.446 540 I N 3.682 124.360 120.570 0.180 0.000 2.382 540 I HA 0.305 4.475 4.170 0.000 0.000 0.286 540 I C -0.303 175.790 176.117 -0.040 0.000 1.002 540 I CA -0.494 60.860 61.300 0.090 0.000 1.135 540 I CB 1.866 39.924 38.000 0.096 0.000 1.288 540 I HN 0.445 nan 8.210 nan 0.000 0.448 541 M N 7.728 127.200 119.600 -0.214 0.000 2.113 541 M HA 0.487 4.967 4.480 0.000 0.000 0.352 541 M C -1.586 174.347 176.300 -0.611 0.000 1.170 541 M CA -0.455 54.427 55.300 -0.696 0.000 1.053 541 M CB 1.106 33.316 32.600 -0.650 0.000 1.601 541 M HN 0.288 nan 8.290 nan 0.000 0.459 542 V N 5.013 124.409 119.914 -0.863 0.000 2.384 542 V HA 0.801 4.922 4.120 0.000 0.000 0.287 542 V C -0.278 175.295 176.094 -0.868 0.000 1.020 542 V CA -0.605 61.193 62.300 -0.835 0.000 0.850 542 V CB 1.170 32.329 31.823 -1.106 0.000 0.987 542 V HN 0.927 nan 8.190 nan 0.000 0.436 543 A N 7.230 129.726 122.820 -0.540 0.000 2.356 543 A HA 0.967 5.287 4.320 0.000 0.000 0.310 543 A C -0.588 176.873 177.584 -0.205 0.000 1.075 543 A CA -0.668 51.129 52.037 -0.400 0.000 0.746 543 A CB 1.542 20.320 19.000 -0.371 0.000 1.221 543 A HN 0.952 nan 8.150 nan 0.000 0.443 544 M N 1.465 121.014 119.600 -0.084 0.000 2.395 544 M HA 0.624 5.104 4.480 0.000 0.000 0.307 544 M C -1.143 175.195 176.300 0.064 0.000 1.091 544 M CA -0.771 54.541 55.300 0.020 0.000 0.919 544 M CB 2.085 34.744 32.600 0.099 0.000 1.662 544 M HN 0.487 nan 8.290 nan 0.000 0.440 545 N N 2.242 120.971 118.700 0.048 0.000 2.511 545 N HA 0.249 4.989 4.740 0.000 0.000 0.249 545 N C -1.217 174.328 175.510 0.058 0.000 0.971 545 N CA -0.198 52.883 53.050 0.053 0.000 0.938 545 N CB 0.907 39.415 38.487 0.035 0.000 1.131 545 N HN 0.834 nan 8.380 nan 0.000 0.505 546 N N 3.252 121.990 118.700 0.063 0.000 2.597 546 N HA 0.166 4.906 4.740 0.000 0.000 0.269 546 N C -1.328 174.205 175.510 0.039 0.000 1.204 546 N CA -0.075 53.006 53.050 0.051 0.000 0.947 546 N CB -0.366 38.148 38.487 0.044 0.000 1.258 546 N HN 0.496 nan 8.380 nan 0.000 0.508 547 N N -0.148 118.576 118.700 0.040 0.000 2.225 547 N HA 0.075 4.816 4.740 0.000 0.000 0.298 547 N C -0.514 175.018 175.510 0.036 0.000 1.076 547 N CA -0.428 52.643 53.050 0.034 0.000 0.792 547 N CB 1.703 40.208 38.487 0.031 0.000 1.498 547 N HN 0.222 nan 8.380 nan 0.000 0.474 548 D N -0.126 120.294 120.400 0.034 0.000 2.352 548 D HA -0.066 4.574 4.640 0.000 0.000 0.232 548 D C 0.131 176.449 176.300 0.030 0.000 1.055 548 D CA 0.623 54.645 54.000 0.035 0.000 0.891 548 D CB 0.101 40.921 40.800 0.034 0.000 0.897 548 D HN 0.513 nan 8.370 nan 0.000 0.529 549 K N -0.478 119.938 120.400 0.028 0.000 2.221 549 K HA 0.650 4.970 4.320 0.000 0.000 0.243 549 K C -3.091 173.524 176.600 0.025 0.000 0.968 549 K CA -2.269 54.033 56.287 0.024 0.000 0.846 549 K CB 1.452 33.965 32.500 0.021 0.000 1.141 549 K HN -0.289 nan 8.250 nan 0.000 0.434 550 P HA 0.105 nan 4.420 nan 0.000 0.271 550 P C -0.924 176.389 177.300 0.021 0.000 1.218 550 P CA -0.118 62.994 63.100 0.020 0.000 0.780 550 P CB 0.464 32.175 31.700 0.017 0.000 0.901 551 M N 1.548 121.161 119.600 0.022 0.000 2.327 551 M HA 0.310 4.790 4.480 0.000 0.000 0.298 551 M C -0.557 175.758 176.300 0.025 0.000 1.065 551 M CA -0.183 55.132 55.300 0.026 0.000 0.916 551 M CB 1.858 34.477 32.600 0.032 0.000 1.630 551 M HN 0.150 nan 8.290 nan 0.000 0.442 552 T N 4.582 119.152 114.554 0.027 0.000 2.797 552 T HA 0.802 5.152 4.350 0.000 0.000 0.279 552 T C -0.274 174.451 174.700 0.042 0.000 0.991 552 T CA -0.537 61.581 62.100 0.029 0.000 0.979 552 T CB 1.115 69.996 68.868 0.021 0.000 0.943 552 T HN 0.493 nan 8.240 nan 0.000 0.444 553 L N 4.745 126.005 121.223 0.061 0.000 2.372 553 L HA 0.429 4.769 4.340 0.000 0.000 0.274 553 L C -2.600 174.329 176.870 0.098 0.000 0.988 553 L CA -2.529 52.370 54.840 0.099 0.000 0.833 553 L CB 1.893 44.064 42.059 0.187 0.000 1.236 553 L HN 0.317 nan 8.230 nan 0.000 0.410 554 P HA 0.037 nan 4.420 nan 0.000 0.267 554 P C 0.836 178.117 177.300 -0.032 0.000 1.205 554 P CA -0.143 62.949 63.100 -0.013 0.000 0.765 554 P CB 0.726 32.387 31.700 -0.064 0.000 0.828 555 T N -0.316 114.263 114.554 0.041 0.000 3.160 555 T HA 0.040 4.391 4.350 0.000 0.000 0.257 555 T C 1.607 176.289 174.700 -0.030 0.000 1.147 555 T CA 0.633 62.811 62.100 0.131 0.000 1.064 555 T CB -0.537 68.424 68.868 0.156 0.000 0.949 555 T HN 0.282 nan 8.240 nan 0.000 0.526 556 A N 2.060 124.810 122.820 -0.117 0.000 1.972 556 A HA 0.002 4.322 4.320 0.000 0.000 0.219 556 A C 2.461 179.907 177.584 -0.230 0.000 1.169 556 A CA 1.345 53.305 52.037 -0.128 0.000 0.635 556 A CB -0.715 18.226 19.000 -0.098 0.000 0.810 556 A HN 0.526 nan 8.150 nan 0.000 0.446 557 R N -1.342 118.863 120.500 -0.493 0.000 2.148 557 R HA -0.089 4.251 4.340 0.000 0.000 0.227 557 R C 0.195 176.094 176.300 -0.668 0.000 1.103 557 R CA 1.435 57.127 56.100 -0.680 0.000 0.983 557 R CB -0.192 29.464 30.300 -1.072 0.000 0.874 557 R HN 0.524 nan 8.270 nan 0.000 0.451 558 F N -0.135 119.691 119.950 -0.208 0.000 2.684 558 F HA 0.297 4.824 4.527 0.000 0.000 0.298 558 F C 1.394 177.147 175.800 -0.079 0.000 1.120 558 F CA -0.567 57.288 58.000 -0.243 0.000 1.332 558 F CB 0.403 39.175 39.000 -0.380 0.000 0.986 558 F HN -0.166 nan 8.300 nan 0.000 0.524 559 Q N 1.368 121.191 119.800 0.039 0.000 2.291 559 Q HA -0.171 4.169 4.340 0.000 0.000 0.205 559 Q C 2.038 178.032 176.000 -0.011 0.000 0.970 559 Q CA 1.363 57.174 55.803 0.013 0.000 0.876 559 Q CB -0.264 28.469 28.738 -0.009 0.000 0.935 559 Q HN 0.713 nan 8.270 nan 0.000 0.455 560 E N -1.328 118.881 120.200 0.014 0.000 2.347 560 E HA -0.114 4.236 4.350 0.000 0.000 0.196 560 E C 1.338 177.846 176.600 -0.152 0.000 1.008 560 E CA 0.599 56.977 56.400 -0.037 0.000 0.852 560 E CB 0.120 29.820 29.700 0.001 0.000 0.783 560 E HN 0.135 nan 8.360 nan 0.000 0.505 561 M N 0.003 119.472 119.600 -0.219 0.000 2.730 561 M HA 0.114 4.594 4.480 0.000 0.000 0.258 561 M C 1.890 177.929 176.300 -0.435 0.000 1.279 561 M CA 0.301 55.260 55.300 -0.568 0.000 1.183 561 M CB -0.160 31.686 32.600 -1.257 0.000 1.291 561 M HN 0.172 nan 8.290 nan 0.000 0.518 562 L N 0.807 121.902 121.223 -0.214 0.000 2.131 562 L HA -0.007 4.334 4.340 0.000 0.000 0.206 562 L C 0.645 177.495 176.870 -0.033 0.000 1.087 562 L CA 1.059 55.871 54.840 -0.047 0.000 0.767 562 L CB -0.762 41.334 42.059 0.062 0.000 0.917 562 L HN 0.316 nan 8.230 nan 0.000 0.441 563 K N 0.691 121.065 120.400 -0.044 0.000 3.278 563 K HA -0.226 4.095 4.320 0.000 0.000 0.270 563 K C 0.960 177.555 176.600 -0.008 0.000 0.955 563 K CA 0.789 57.059 56.287 -0.029 0.000 0.723 563 K CB -2.307 30.169 32.500 -0.040 0.000 1.382 563 K HN 0.599 nan 8.250 nan 0.000 0.461 564 G N -1.125 107.676 108.800 0.003 0.000 2.198 564 G HA2 -0.247 3.713 3.960 0.000 0.000 0.257 564 G HA3 -0.247 3.713 3.960 0.000 0.000 0.257 564 G C 0.242 175.152 174.900 0.016 0.000 1.042 564 G CA 0.455 45.560 45.100 0.009 0.000 0.791 564 G HN 0.990 nan 8.290 nan 0.000 0.502 565 A N 0.533 123.368 122.820 0.025 0.000 2.451 565 A HA 0.665 4.985 4.320 0.000 0.000 0.266 565 A C 0.192 177.794 177.584 0.031 0.000 1.119 565 A CA -0.345 51.711 52.037 0.032 0.000 0.786 565 A CB 0.618 19.646 19.000 0.048 0.000 1.061 565 A HN 0.229 nan 8.150 nan 0.000 0.503 566 P HA -0.029 nan 4.420 nan 0.000 0.217 566 P C 0.413 177.726 177.300 0.021 0.000 1.154 566 P CA 1.564 64.676 63.100 0.020 0.000 0.841 566 P CB 0.128 31.837 31.700 0.016 0.000 0.788 567 S N -2.656 113.057 115.700 0.022 0.000 2.636 567 S HA 0.698 5.168 4.470 0.000 0.000 0.268 567 S C -0.761 173.852 174.600 0.022 0.000 1.159 567 S CA -0.260 57.952 58.200 0.019 0.000 0.815 567 S CB 1.441 64.649 63.200 0.013 0.000 1.130 567 S HN 0.330 nan 8.310 nan 0.000 0.471 568 G N -0.248 108.562 108.800 0.016 0.000 2.704 568 G HA2 0.584 4.544 3.960 0.000 0.000 0.293 568 G HA3 0.584 4.544 3.960 0.000 0.000 0.293 568 G C -1.601 173.305 174.900 0.010 0.000 1.421 568 G CA -0.640 44.472 45.100 0.019 0.000 0.870 568 G HN 1.107 nan 8.290 nan 0.000 0.492 569 V N 1.329 121.255 119.914 0.020 0.000 2.432 569 V HA 0.220 4.340 4.120 0.000 0.000 0.271 569 V C -0.012 176.089 176.094 0.011 0.000 1.046 569 V CA -0.465 61.844 62.300 0.016 0.000 0.945 569 V CB 1.229 33.072 31.823 0.033 0.000 0.992 569 V HN 0.752 nan 8.190 nan 0.000 0.471 570 D N 3.299 123.689 120.400 -0.016 0.000 2.339 570 D HA 0.034 4.674 4.640 0.000 0.000 0.256 570 D C 0.624 176.901 176.300 -0.038 0.000 1.214 570 D CA -0.131 53.848 54.000 -0.035 0.000 0.877 570 D CB 0.585 41.351 40.800 -0.056 0.000 1.111 570 D HN 0.412 nan 8.370 nan 0.000 0.478 571 F N 4.120 123.945 119.950 -0.209 0.000 2.216 571 F HA -0.095 4.433 4.527 0.000 0.000 0.300 571 F C 1.332 176.970 175.800 -0.270 0.000 1.085 571 F CA 1.178 59.001 58.000 -0.295 0.000 1.326 571 F CB 0.033 38.699 39.000 -0.557 0.000 1.027 571 F HN 0.434 nan 8.300 nan 0.000 0.497 572 L N -0.389 120.684 121.223 -0.250 0.000 1.961 572 L HA -0.198 4.142 4.340 0.000 0.000 0.209 572 L C 2.755 179.488 176.870 -0.228 0.000 1.075 572 L CA 1.700 56.386 54.840 -0.257 0.000 0.749 572 L CB -1.263 40.727 42.059 -0.115 0.000 0.890 572 L HN 0.226 nan 8.230 nan 0.000 0.433 573 S N -0.955 114.662 115.700 -0.140 0.000 2.436 573 S HA 0.073 4.543 4.470 0.000 0.000 0.228 573 S C 1.636 176.166 174.600 -0.117 0.000 1.014 573 S CA 0.658 58.798 58.200 -0.101 0.000 0.950 573 S CB 0.370 63.536 63.200 -0.056 0.000 0.784 573 S HN 0.656 nan 8.310 nan 0.000 0.504 574 G N 1.033 109.752 108.800 -0.135 0.000 2.213 574 G HA2 -0.235 3.725 3.960 0.000 0.000 0.236 574 G HA3 -0.235 3.725 3.960 0.000 0.000 0.236 574 G C -0.011 174.850 174.900 -0.064 0.000 0.991 574 G CA 0.099 45.130 45.100 -0.115 0.000 0.629 574 G HN 0.602 nan 8.290 nan 0.000 0.517 575 K N 1.377 121.745 120.400 -0.053 0.000 2.185 575 K HA 0.494 4.814 4.320 0.000 0.000 0.271 575 K C 0.223 176.807 176.600 -0.026 0.000 1.013 575 K CA -0.015 56.252 56.287 -0.034 0.000 0.943 575 K CB 0.724 33.206 32.500 -0.030 0.000 0.998 575 K HN 0.110 nan 8.250 nan 0.000 0.468 576 T N 1.592 116.136 114.554 -0.017 0.000 2.901 576 T HA 0.148 4.498 4.350 0.000 0.000 0.301 576 T C -0.114 174.579 174.700 -0.012 0.000 1.012 576 T CA -0.487 61.607 62.100 -0.010 0.000 1.135 576 T CB 0.574 69.440 68.868 -0.004 0.000 0.936 576 T HN 0.154 nan 8.240 nan 0.000 0.539 577 V N 2.876 122.783 119.914 -0.012 0.000 2.409 577 V HA 0.550 4.670 4.120 0.000 0.000 0.291 577 V C 0.903 176.994 176.094 -0.005 0.000 1.020 577 V CA -1.091 61.201 62.300 -0.014 0.000 0.848 577 V CB 1.641 33.447 31.823 -0.028 0.000 0.990 577 V HN 1.062 nan 8.190 nan 0.000 0.430 578 G N 4.011 112.810 108.800 -0.001 0.000 2.343 578 G HA2 0.412 4.373 3.960 0.000 0.000 0.254 578 G HA3 0.412 4.373 3.960 0.000 0.000 0.254 578 G C 0.125 175.032 174.900 0.012 0.000 1.277 578 G CA -0.090 45.013 45.100 0.006 0.000 0.909 578 G HN 0.751 nan 8.290 nan 0.000 0.502 579 L N 2.994 124.229 121.223 0.020 0.000 3.229 579 L HA 0.229 4.569 4.340 0.000 0.000 0.286 579 L C 2.265 179.158 176.870 0.038 0.000 1.239 579 L CA 0.081 54.941 54.840 0.034 0.000 1.035 579 L CB 0.773 42.856 42.059 0.041 0.000 1.408 579 L HN 0.711 nan 8.230 nan 0.000 0.593 580 G N 0.582 109.398 108.800 0.026 0.000 2.433 580 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 580 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 580 G C 1.636 176.548 174.900 0.021 0.000 1.186 580 G CA 0.954 46.066 45.100 0.021 0.000 0.779 580 G HN 0.325 nan 8.290 nan 0.000 0.543 581 R N -0.320 120.192 120.500 0.020 0.000 2.551 581 R HA 0.210 4.550 4.340 0.000 0.000 0.202 581 R C -0.040 176.272 176.300 0.021 0.000 0.861 581 R CA 0.409 56.517 56.100 0.014 0.000 1.018 581 R CB 0.523 30.827 30.300 0.006 0.000 1.435 581 R HN 0.505 nan 8.270 nan 0.000 0.659 582 E N 0.862 121.078 120.200 0.027 0.000 2.336 582 E HA 0.319 4.669 4.350 0.000 0.000 0.267 582 E C -1.573 175.053 176.600 0.042 0.000 0.906 582 E CA -1.033 55.388 56.400 0.035 0.000 0.781 582 E CB 2.177 31.890 29.700 0.022 0.000 1.261 582 E HN -0.003 nan 8.360 nan 0.000 0.436 583 L N 1.645 122.900 121.223 0.053 0.000 2.305 583 L HA 0.423 4.763 4.340 0.000 0.000 0.284 583 L C -0.973 175.906 176.870 0.015 0.000 1.013 583 L CA -0.618 54.240 54.840 0.031 0.000 0.819 583 L CB 1.156 43.233 42.059 0.030 0.000 1.227 583 L HN 0.443 nan 8.230 nan 0.000 0.417 584 R N 6.566 127.067 120.500 0.002 0.000 2.196 584 R HA 0.465 4.805 4.340 0.000 0.000 0.340 584 R C -1.179 175.116 176.300 -0.008 0.000 1.043 584 R CA -0.252 55.849 56.100 0.001 0.000 0.883 584 R CB 0.355 30.656 30.300 0.000 0.000 1.078 584 R HN 0.672 nan 8.270 nan 0.000 0.462 585 L N 2.323 123.544 121.223 -0.002 0.000 2.325 585 L HA 0.498 4.838 4.340 0.000 0.000 0.281 585 L C 0.531 177.405 176.870 0.007 0.000 1.004 585 L CA -0.967 53.870 54.840 -0.005 0.000 0.823 585 L CB 1.893 43.949 42.059 -0.005 0.000 1.236 585 L HN 0.569 nan 8.230 nan 0.000 0.415 586 A N 5.311 128.136 122.820 0.008 0.000 2.406 586 A HA 0.490 4.810 4.320 0.000 0.000 0.243 586 A C -2.348 175.251 177.584 0.026 0.000 1.082 586 A CA -1.106 50.941 52.037 0.017 0.000 0.786 586 A CB -0.381 18.630 19.000 0.019 0.000 1.029 586 A HN 0.444 nan 8.150 nan 0.000 0.495 587 P HA 0.073 nan 4.420 nan 0.000 0.263 587 P C -0.679 176.650 177.300 0.048 0.000 1.195 587 P CA 0.427 63.550 63.100 0.037 0.000 0.762 587 P CB 0.055 31.776 31.700 0.035 0.000 0.799 588 K N 0.426 120.856 120.400 0.051 0.000 4.405 588 K HA -0.120 4.201 4.320 0.000 0.000 0.287 588 K C -0.168 176.473 176.600 0.069 0.000 0.905 588 K CA 0.665 56.990 56.287 0.064 0.000 0.867 588 K CB -1.666 30.881 32.500 0.077 0.000 1.652 588 K HN 0.697 nan 8.250 nan 0.000 0.435 589 S N -1.342 114.388 115.700 0.051 0.000 2.627 589 S HA 0.774 5.244 4.470 0.000 0.000 0.283 589 S C -0.713 173.900 174.600 0.022 0.000 1.127 589 S CA -0.850 57.375 58.200 0.041 0.000 0.863 589 S CB 2.946 66.162 63.200 0.026 0.000 1.121 589 S HN 0.242 nan 8.310 nan 0.000 0.479 590 V N 1.498 121.416 119.914 0.006 0.000 2.760 590 V HA 0.806 4.926 4.120 0.000 0.000 0.309 590 V C -1.106 174.953 176.094 -0.059 0.000 1.077 590 V CA -0.441 61.842 62.300 -0.028 0.000 0.910 590 V CB 1.714 33.530 31.823 -0.011 0.000 1.008 590 V HN 1.377 nan 8.190 nan 0.000 0.424 591 V N 4.420 124.269 119.914 -0.107 0.000 2.680 591 V HA 0.794 4.914 4.120 0.000 0.000 0.309 591 V C -0.661 175.333 176.094 -0.167 0.000 1.052 591 V CA -0.633 61.594 62.300 -0.121 0.000 0.908 591 V CB 1.769 33.522 31.823 -0.117 0.000 1.001 591 V HN 0.630 nan 8.190 nan 0.000 0.431 592 V N 5.560 125.391 119.914 -0.138 0.000 2.235 592 V HA 0.430 4.550 4.120 0.000 0.000 0.266 592 V C 0.001 176.035 176.094 -0.101 0.000 1.055 592 V CA -0.145 62.066 62.300 -0.147 0.000 0.844 592 V CB 0.423 32.143 31.823 -0.172 0.000 1.097 592 V HN 0.791 nan 8.190 nan 0.000 0.453 593 I N 3.269 123.766 120.570 -0.122 0.000 2.337 593 I HA 0.261 4.431 4.170 0.000 0.000 0.291 593 I C 0.652 176.760 176.117 -0.016 0.000 1.046 593 I CA 0.103 61.364 61.300 -0.066 0.000 1.324 593 I CB 0.713 38.661 38.000 -0.088 0.000 1.409 593 I HN 0.533 nan 8.210 nan 0.000 0.494 594 E N 6.890 127.111 120.200 0.036 0.000 2.266 594 E HA 0.669 5.019 4.350 0.000 0.000 0.277 594 E C -0.896 175.747 176.600 0.071 0.000 1.018 594 E CA -0.520 55.926 56.400 0.076 0.000 0.840 594 E CB 1.722 31.488 29.700 0.110 0.000 1.082 594 E HN 0.429 nan 8.360 nan 0.000 0.395 595 L N 2.987 124.260 121.223 0.083 0.000 2.415 595 L HA 0.468 4.808 4.340 0.000 0.000 0.256 595 L C -2.489 174.423 176.870 0.070 0.000 1.010 595 L CA -2.390 52.497 54.840 0.079 0.000 0.826 595 L CB 2.215 44.336 42.059 0.103 0.000 1.405 595 L HN 0.360 nan 8.230 nan 0.000 0.410 596 P HA 0.153 nan 4.420 nan 0.000 0.272 596 P C -0.286 177.043 177.300 0.050 0.000 1.230 596 P CA -0.278 62.850 63.100 0.045 0.000 0.788 596 P CB 0.514 32.235 31.700 0.035 0.000 0.949 597 G N 1.236 110.062 108.800 0.044 0.000 2.544 597 G HA2 0.348 4.308 3.960 0.000 0.000 0.242 597 G HA3 0.348 4.308 3.960 0.000 0.000 0.242 597 G C -0.565 174.359 174.900 0.040 0.000 1.247 597 G CA -0.445 44.686 45.100 0.051 0.000 0.840 597 G HN 0.331 nan 8.290 nan 0.000 0.578 598 L N 2.447 123.697 121.223 0.044 0.000 2.426 598 L HA 0.292 4.632 4.340 0.000 0.000 0.271 598 L C -1.006 175.879 176.870 0.024 0.000 1.169 598 L CA -1.031 53.824 54.840 0.025 0.000 0.836 598 L CB 0.076 42.144 42.059 0.015 0.000 1.112 598 L HN 0.430 nan 8.230 nan 0.000 0.465 599 P HA 0.000 nan 4.420 nan 0.000 0.216 599 P CA 0.000 63.108 63.100 0.013 0.000 0.800 599 P CB 0.000 31.705 31.700 0.009 0.000 0.726