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 1fwx_1_B DATA FIRST_RESID 9 DATA SEQUENCE DGSVAPGQLD DYYGFWSSGQ SGEMRILGIP SMRELMRVPV FNRCSATGWG DATA SEQUENCE QTNESVRIHE RTMSHDNGDL HHVHMSFTEG KYDGRFLFMN DKANTRVARV DATA SEQUENCE RCDVMKCDAI LEIPNAKGIH GLRPQKWPRS NYVFCNGEDE TPLVNDGTNM DATA SEQUENCE EDVAYVNVFT AVDADKWEVA WQVLVSGNLD NCDADYEGKW AFSTSYNSEK DATA SEQUENCE GMTLPEMTAA EMDHIVVFNI AEIEKAIAAG DYQELNGVXX KVVDGRKESL DATA SEQUENCE FTRYIPIANN PHGCNMAPDK KHLCVAGKLS PTVTVLDVTR FDAVFYENAX DATA SEQUENCE PRSAVVAEPE LGLGPLHTAF DGRGNAYTSL FLDSQVVKWN IEDAIRAYAG DATA SEQUENCE EKVDPIKDKL DVHYQPGHLK TVMGETLDAT NDWLVCLSKF SKDRFLNVGP DATA SEQUENCE LKPENDQLID ISGDKMVLVH DGPTFAEPHD AIAVHPSILS DIKSVWDRND DATA SEQUENCE PMWAETRAQA EADGVDIDNE EVIRDGNKVR VYMSSVAPSF SIESFTVKEG DATA SEQUENCE DEVTVIVTNL DEIDDLTHGF TMGNYGVAME IGPQMTSSVT FVAANPGVYW DATA SEQUENCE YYCQWFCHAL HMEMRGRMLV EPXXXXXXXX XXXXXXXXXX XWTXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XASXXXXXXX XXXXXXXXXX XXXXXXXXXX XNXXXXXXXX XDXXXXXXXX DATA SEQUENCE XERTKKFLAA NGKRI 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 9 D HA 0.000 nan 4.640 nan 0.000 0.175 9 D C 0.000 176.440 176.300 0.233 0.000 2.045 9 D CA 0.000 54.137 54.000 0.228 0.000 0.868 9 D CB 0.000 40.885 40.800 0.141 0.000 0.688 10 G N 0.382 109.280 108.800 0.163 0.000 3.424 10 G HA2 0.332 4.290 3.960 -0.003 0.000 0.263 10 G HA3 0.332 4.290 3.960 -0.003 0.000 0.263 10 G C 0.318 175.146 174.900 -0.119 0.000 1.310 10 G CA 0.406 45.482 45.100 -0.039 0.000 1.089 10 G HN 0.497 nan 8.290 nan 0.000 0.534 11 S N -0.587 115.086 115.700 -0.044 0.000 2.565 11 S HA 0.508 4.976 4.470 -0.003 0.000 0.276 11 S C -0.265 174.298 174.600 -0.062 0.000 1.326 11 S CA -0.569 57.590 58.200 -0.067 0.000 1.045 11 S CB 2.200 65.388 63.200 -0.020 0.000 0.918 11 S HN 0.021 nan 8.310 nan 0.000 0.505 12 V N 2.542 122.404 119.914 -0.087 0.000 2.378 12 V HA 0.660 4.779 4.120 -0.003 0.000 0.288 12 V C 0.656 176.710 176.094 -0.067 0.000 1.016 12 V CA -0.708 61.544 62.300 -0.080 0.000 0.840 12 V CB 0.736 32.492 31.823 -0.113 0.000 0.994 12 V HN 1.210 nan 8.190 nan 0.000 0.431 13 A N 7.896 130.687 122.820 -0.048 0.000 2.366 13 A HA 0.629 4.948 4.320 -0.003 0.000 0.249 13 A C -2.111 175.444 177.584 -0.048 0.000 1.084 13 A CA -1.185 50.827 52.037 -0.041 0.000 0.794 13 A CB -0.143 18.840 19.000 -0.029 0.000 1.034 13 A HN 0.653 nan 8.150 nan 0.000 0.491 14 P HA 0.192 nan 4.420 nan 0.000 0.263 14 P C 0.831 178.104 177.300 -0.044 0.000 1.195 14 P CA 1.499 64.572 63.100 -0.046 0.000 0.762 14 P CB 0.730 32.406 31.700 -0.040 0.000 0.799 15 G N 2.440 111.210 108.800 -0.050 0.000 2.254 15 G HA2 -0.190 3.768 3.960 -0.003 0.000 0.225 15 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.225 15 G C 0.078 174.946 174.900 -0.052 0.000 1.003 15 G CA -0.358 44.715 45.100 -0.046 0.000 0.622 15 G HN 0.588 nan 8.290 nan 0.000 0.507 16 Q N 0.253 120.018 119.800 -0.058 0.000 2.260 16 Q HA 0.720 5.058 4.340 -0.003 0.000 0.242 16 Q C 0.086 176.032 176.000 -0.089 0.000 0.932 16 Q CA -0.287 55.476 55.803 -0.065 0.000 0.891 16 Q CB 1.657 30.361 28.738 -0.058 0.000 1.222 16 Q HN 0.430 nan 8.270 nan 0.000 0.453 17 L N 0.774 121.935 121.223 -0.105 0.000 2.334 17 L HA 0.383 4.721 4.340 -0.003 0.000 0.270 17 L C 0.152 176.920 176.870 -0.169 0.000 1.018 17 L CA -0.923 53.831 54.840 -0.145 0.000 0.811 17 L CB 1.218 43.184 42.059 -0.155 0.000 1.271 17 L HN 0.525 nan 8.230 nan 0.000 0.443 18 D N 0.539 120.808 120.400 -0.218 0.000 2.368 18 D HA -0.017 4.621 4.640 -0.003 0.000 0.240 18 D C -0.041 176.099 176.300 -0.266 0.000 1.169 18 D CA -0.061 53.802 54.000 -0.229 0.000 0.906 18 D CB 1.408 42.048 40.800 -0.268 0.000 1.187 18 D HN 0.526 nan 8.370 nan 0.000 0.435 19 D N -0.130 120.121 120.400 -0.249 0.000 2.249 19 D HA -0.026 4.613 4.640 -0.003 0.000 0.205 19 D C -0.056 175.840 176.300 -0.674 0.000 0.962 19 D CA 1.072 54.805 54.000 -0.444 0.000 0.860 19 D CB 0.403 40.953 40.800 -0.417 0.000 0.955 19 D HN 0.393 nan 8.370 nan 0.000 0.505 20 Y N -1.478 118.727 120.300 -0.159 0.000 2.581 20 Y HA 0.347 4.896 4.550 -0.002 0.000 0.345 20 Y C -0.663 175.116 175.900 -0.202 0.000 1.036 20 Y CA -1.281 56.750 58.100 -0.115 0.000 1.042 20 Y CB 0.963 39.445 38.460 0.037 0.000 1.289 20 Y HN -0.274 nan 8.280 nan 0.000 0.471 21 Y N 0.515 120.821 120.300 0.009 0.000 2.299 21 Y HA 0.561 5.109 4.550 -0.003 0.000 0.326 21 Y C 0.701 176.412 175.900 -0.315 0.000 1.164 21 Y CA -0.421 57.529 58.100 -0.249 0.000 1.234 21 Y CB 1.400 39.646 38.460 -0.356 0.000 1.219 21 Y HN 0.689 nan 8.280 nan 0.000 0.497 22 G N 2.892 111.538 108.800 -0.256 0.000 2.470 22 G HA2 0.576 4.534 3.960 -0.003 0.000 0.320 22 G HA3 0.576 4.534 3.960 -0.003 0.000 0.320 22 G C -1.781 172.971 174.900 -0.248 0.000 1.245 22 G CA -0.478 44.607 45.100 -0.024 0.000 0.935 22 G HN 0.368 nan 8.290 nan 0.000 0.476 23 F N 1.644 121.783 119.950 0.315 0.000 2.403 23 F HA 0.441 4.966 4.527 -0.003 0.000 0.355 23 F C -0.004 175.951 175.800 0.258 0.000 1.119 23 F CA -1.154 56.969 58.000 0.204 0.000 1.007 23 F CB 1.454 40.457 39.000 0.004 0.000 1.194 23 F HN 0.339 nan 8.300 nan 0.000 0.443 24 W N 3.026 124.378 121.300 0.086 0.000 2.551 24 W HA 0.409 5.068 4.660 -0.002 0.000 0.330 24 W C 0.219 176.769 176.519 0.053 0.000 1.063 24 W CA -0.808 56.565 57.345 0.046 0.000 1.222 24 W CB 2.455 31.929 29.460 0.023 0.000 1.349 24 W HN 0.523 nan 8.180 nan 0.000 0.536 25 S N 0.600 116.379 115.700 0.131 0.000 2.655 25 S HA 0.311 4.779 4.470 -0.003 0.000 0.265 25 S C 0.526 175.252 174.600 0.210 0.000 1.240 25 S CA -0.030 58.244 58.200 0.123 0.000 0.986 25 S CB 1.598 64.819 63.200 0.034 0.000 0.985 25 S HN 0.450 nan 8.310 nan 0.000 0.562 26 S N -1.636 114.179 115.700 0.192 0.000 2.911 26 S HA 0.516 4.984 4.470 -0.003 0.000 0.261 26 S C 1.170 175.865 174.600 0.158 0.000 1.021 26 S CA 0.165 58.481 58.200 0.193 0.000 1.222 26 S CB -0.748 62.573 63.200 0.201 0.000 1.171 26 S HN 2.005 nan 8.310 nan 0.000 0.669 27 G N 3.733 112.640 108.800 0.178 0.000 2.611 27 G HA2 -0.451 3.507 3.960 -0.003 0.000 0.301 27 G HA3 -0.451 3.507 3.960 -0.003 0.000 0.301 27 G C 0.944 175.925 174.900 0.135 0.000 1.233 27 G CA 0.778 45.961 45.100 0.138 0.000 0.993 27 G HN 0.796 nan 8.290 nan 0.000 0.553 28 Q N 0.372 120.234 119.800 0.104 0.000 2.508 28 Q HA 0.011 4.349 4.340 -0.003 0.000 0.214 28 Q C 2.337 178.427 176.000 0.150 0.000 0.979 28 Q CA 2.131 58.003 55.803 0.115 0.000 0.911 28 Q CB -0.431 28.353 28.738 0.078 0.000 0.969 28 Q HN 0.498 nan 8.270 nan 0.000 0.504 29 S N 0.481 116.277 115.700 0.161 0.000 2.453 29 S HA 0.109 4.577 4.470 -0.003 0.000 0.231 29 S C 1.382 176.128 174.600 0.244 0.000 1.005 29 S CA 0.899 59.238 58.200 0.232 0.000 0.949 29 S CB -0.344 63.020 63.200 0.273 0.000 0.774 29 S HN 0.794 nan 8.310 nan 0.000 0.510 30 G N 2.141 111.096 108.800 0.258 0.000 2.166 30 G HA2 -0.296 3.663 3.960 -0.003 0.000 0.260 30 G HA3 -0.296 3.663 3.960 -0.003 0.000 0.260 30 G C -0.097 174.968 174.900 0.275 0.000 0.986 30 G CA 0.843 46.157 45.100 0.355 0.000 0.683 30 G HN 0.675 nan 8.290 nan 0.000 0.527 31 E N -1.236 119.075 120.200 0.185 0.000 2.316 31 E HA 0.773 5.121 4.350 -0.003 0.000 0.258 31 E C -0.055 176.594 176.600 0.083 0.000 0.952 31 E CA -1.469 54.980 56.400 0.081 0.000 0.818 31 E CB 1.347 31.097 29.700 0.084 0.000 1.260 31 E HN 0.239 nan 8.360 nan 0.000 0.416 32 M N 1.208 120.824 119.600 0.025 0.000 2.364 32 M HA 0.429 4.907 4.480 -0.003 0.000 0.334 32 M C -1.114 175.247 176.300 0.100 0.000 1.107 32 M CA -0.564 54.780 55.300 0.073 0.000 0.988 32 M CB 1.514 34.126 32.600 0.019 0.000 1.673 32 M HN 0.552 nan 8.290 nan 0.000 0.441 33 R N 4.193 124.796 120.500 0.171 0.000 2.711 33 R HA 0.705 5.043 4.340 -0.003 0.000 0.284 33 R C -1.253 175.128 176.300 0.136 0.000 0.968 33 R CA -0.707 55.465 56.100 0.121 0.000 0.924 33 R CB 2.108 32.460 30.300 0.086 0.000 1.162 33 R HN 0.696 nan 8.270 nan 0.000 0.465 34 I N 3.992 124.581 120.570 0.031 0.000 2.378 34 I HA 0.366 4.534 4.170 -0.003 0.000 0.291 34 I C -0.330 175.682 176.117 -0.175 0.000 0.992 34 I CA -0.575 60.694 61.300 -0.052 0.000 1.154 34 I CB 1.148 39.150 38.000 0.004 0.000 1.315 34 I HN 0.280 nan 8.210 nan 0.000 0.448 35 L N 4.491 125.550 121.223 -0.273 0.000 2.286 35 L HA 0.742 5.080 4.340 -0.003 0.000 0.265 35 L C 0.363 177.045 176.870 -0.313 0.000 1.012 35 L CA -0.877 53.735 54.840 -0.380 0.000 0.818 35 L CB 1.944 43.568 42.059 -0.725 0.000 1.337 35 L HN 0.603 nan 8.230 nan 0.000 0.438 36 G N 1.348 109.960 108.800 -0.314 0.000 2.372 36 G HA2 0.614 4.572 3.960 -0.003 0.000 0.323 36 G HA3 0.614 4.572 3.960 -0.003 0.000 0.323 36 G C -0.718 174.025 174.900 -0.261 0.000 1.152 36 G CA -0.319 44.607 45.100 -0.290 0.000 0.906 36 G HN 0.208 nan 8.290 nan 0.000 0.460 37 I N 3.661 124.119 120.570 -0.185 0.000 2.441 37 I HA 0.335 4.504 4.170 -0.003 0.000 0.295 37 I C -1.698 174.322 176.117 -0.161 0.000 0.994 37 I CA -2.918 58.280 61.300 -0.171 0.000 1.144 37 I CB 2.417 40.411 38.000 -0.010 0.000 1.314 37 I HN 0.316 nan 8.210 nan 0.000 0.445 38 P HA 0.015 nan 4.420 nan 0.000 0.257 38 P C 1.032 178.036 177.300 -0.494 0.000 1.281 38 P CA 0.321 63.055 63.100 -0.610 0.000 0.826 38 P CB 0.337 31.433 31.700 -1.006 0.000 1.237 39 S N -0.326 115.157 115.700 -0.363 0.000 2.423 39 S HA -0.096 4.372 4.470 -0.003 0.000 0.231 39 S C 1.374 175.709 174.600 -0.443 0.000 1.014 39 S CA 0.664 58.649 58.200 -0.358 0.000 0.965 39 S CB -0.998 62.048 63.200 -0.258 0.000 0.785 39 S HN -0.050 nan 8.310 nan 0.000 0.495 40 M N -0.667 118.691 119.600 -0.403 0.000 2.899 40 M HA -0.145 4.333 4.480 -0.003 0.000 0.195 40 M C -0.196 175.899 176.300 -0.342 0.000 0.603 40 M CA 0.842 55.908 55.300 -0.390 0.000 0.712 40 M CB -2.599 29.770 32.600 -0.384 0.000 2.569 40 M HN 0.525 nan 8.290 nan 0.000 0.406 41 R N 1.055 121.375 120.500 -0.301 0.000 2.490 41 R HA 0.422 4.760 4.340 -0.003 0.000 0.278 41 R C 0.689 176.830 176.300 -0.265 0.000 1.069 41 R CA -0.486 55.471 56.100 -0.239 0.000 1.080 41 R CB 1.029 31.213 30.300 -0.192 0.000 1.030 41 R HN 0.246 nan 8.270 nan 0.000 0.491 42 E N 3.289 123.352 120.200 -0.227 0.000 2.180 42 E HA 0.024 4.372 4.350 -0.003 0.000 0.283 42 E C 0.353 176.862 176.600 -0.153 0.000 1.061 42 E CA -0.151 56.119 56.400 -0.217 0.000 0.861 42 E CB 0.623 30.216 29.700 -0.178 0.000 1.056 42 E HN 0.539 nan 8.360 nan 0.000 0.407 43 L N 3.988 125.123 121.223 -0.147 0.000 2.249 43 L HA 0.187 4.525 4.340 -0.003 0.000 0.207 43 L C 0.651 177.493 176.870 -0.046 0.000 1.090 43 L CA 0.309 55.090 54.840 -0.099 0.000 0.802 43 L CB 0.048 42.042 42.059 -0.108 0.000 0.947 43 L HN 0.569 nan 8.230 nan 0.000 0.453 44 M N -0.980 118.599 119.600 -0.036 0.000 2.694 44 M HA 0.388 4.867 4.480 -0.003 0.000 0.276 44 M C -1.835 174.472 176.300 0.011 0.000 1.167 44 M CA -0.466 54.837 55.300 0.006 0.000 0.849 44 M CB 1.903 34.522 32.600 0.031 0.000 1.705 44 M HN -0.164 nan 8.290 nan 0.000 0.504 45 R N 1.624 122.141 120.500 0.028 0.000 2.534 45 R HA 0.820 5.158 4.340 -0.003 0.000 0.301 45 R C -1.500 174.807 176.300 0.010 0.000 0.961 45 R CA -0.991 55.126 56.100 0.027 0.000 0.871 45 R CB 2.093 32.414 30.300 0.034 0.000 1.170 45 R HN 0.515 nan 8.270 nan 0.000 0.446 46 V N 5.148 125.046 119.914 -0.027 0.000 2.350 46 V HA 0.294 4.412 4.120 -0.003 0.000 0.285 46 V C -1.962 174.001 176.094 -0.219 0.000 1.014 46 V CA -2.029 60.200 62.300 -0.119 0.000 0.831 46 V CB 1.478 33.228 31.823 -0.123 0.000 1.000 46 V HN 0.675 nan 8.190 nan 0.000 0.433 47 P HA 0.243 nan 4.420 nan 0.000 0.271 47 P C -0.046 176.740 177.300 -0.858 0.000 1.216 47 P CA 0.283 63.122 63.100 -0.435 0.000 0.771 47 P CB 2.465 33.964 31.700 -0.335 0.000 0.864 48 V N 2.256 121.882 119.914 -0.479 0.000 3.658 48 V HA 0.111 4.229 4.120 -0.003 0.000 0.197 48 V C 1.343 177.340 176.094 -0.161 0.000 1.295 48 V CA 0.815 62.795 62.300 -0.532 0.000 1.298 48 V CB -0.698 30.706 31.823 -0.700 0.000 1.347 48 V HN 0.268 nan 8.190 nan 0.000 0.548 49 F N 1.940 122.065 119.950 0.291 0.000 2.721 49 F HA 0.321 4.846 4.527 -0.003 0.000 0.301 49 F C 0.982 177.002 175.800 0.367 0.000 1.096 49 F CA -0.841 57.386 58.000 0.377 0.000 1.308 49 F CB -0.594 38.556 39.000 0.250 0.000 1.086 49 F HN 0.356 nan 8.300 nan 0.000 0.587 50 N N -0.007 118.958 118.700 0.441 0.000 2.476 50 N HA 0.403 5.141 4.740 -0.003 0.000 0.275 50 N C -0.283 175.473 175.510 0.409 0.000 1.190 50 N CA -0.997 52.270 53.050 0.361 0.000 0.977 50 N CB 0.843 39.490 38.487 0.267 0.000 1.200 50 N HN -0.097 nan 8.380 nan 0.000 0.515 51 R N 0.929 121.611 120.500 0.304 0.000 2.196 51 R HA 0.269 4.607 4.340 -0.003 0.000 0.340 51 R C -1.407 175.045 176.300 0.253 0.000 1.043 51 R CA -0.628 55.636 56.100 0.272 0.000 0.883 51 R CB 0.055 30.459 30.300 0.175 0.000 1.078 51 R HN 0.761 nan 8.270 nan 0.000 0.462 52 C N 4.705 124.190 119.300 0.309 0.000 2.256 52 C HA 0.261 4.719 4.460 -0.003 0.000 0.333 52 C C 1.842 176.958 174.990 0.210 0.000 1.183 52 C CA -0.137 59.031 59.018 0.250 0.000 1.692 52 C CB -0.516 27.396 27.740 0.287 0.000 2.274 52 C HN 1.068 nan 8.230 nan 0.000 0.509 53 S N 4.278 120.069 115.700 0.151 0.000 2.400 53 S HA -0.123 4.346 4.470 -0.003 0.000 0.232 53 S C 1.972 176.650 174.600 0.130 0.000 1.025 53 S CA 2.051 60.323 58.200 0.120 0.000 0.993 53 S CB -0.048 63.199 63.200 0.079 0.000 0.808 53 S HN 1.014 nan 8.310 nan 0.000 0.478 54 A N 0.662 123.565 122.820 0.138 0.000 1.854 54 A HA -0.019 4.299 4.320 -0.003 0.000 0.214 54 A C 2.461 180.266 177.584 0.368 0.000 1.192 54 A CA 2.077 54.200 52.037 0.143 0.000 0.611 54 A CB -1.356 17.696 19.000 0.086 0.000 0.832 54 A HN 0.738 nan 8.150 nan 0.000 0.442 55 T N -4.936 109.862 114.554 0.406 0.000 3.065 55 T HA 0.407 4.755 4.350 -0.003 0.000 0.252 55 T C 1.394 176.293 174.700 0.332 0.000 1.099 55 T CA 1.165 63.529 62.100 0.439 0.000 1.063 55 T CB 0.318 69.409 68.868 0.372 0.000 0.948 55 T HN 1.767 nan 8.240 nan 0.000 0.506 56 G N 0.567 109.545 108.800 0.296 0.000 2.175 56 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.244 56 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.244 56 G C -0.048 174.999 174.900 0.244 0.000 0.982 56 G CA -0.115 45.124 45.100 0.231 0.000 0.641 56 G HN 0.663 nan 8.290 nan 0.000 0.527 57 W N 1.169 122.552 121.300 0.138 0.000 2.397 57 W HA 0.380 5.038 4.660 -0.003 0.000 0.327 57 W C 1.075 177.687 176.519 0.154 0.000 1.421 57 W CA 1.378 58.810 57.345 0.146 0.000 1.288 57 W CB 0.033 29.580 29.460 0.145 0.000 1.312 57 W HN 1.278 nan 8.180 nan 0.000 0.559 58 G N 3.513 112.160 108.800 -0.255 0.000 2.231 58 G HA2 -0.324 3.634 3.960 -0.003 0.000 0.206 58 G HA3 -0.324 3.634 3.960 -0.003 0.000 0.206 58 G C 0.621 175.455 174.900 -0.110 0.000 0.996 58 G CA 0.454 45.458 45.100 -0.159 0.000 0.645 58 G HN 0.624 nan 8.290 nan 0.000 0.498 59 Q N -0.089 119.678 119.800 -0.055 0.000 2.279 59 Q HA 0.266 4.604 4.340 -0.003 0.000 0.261 59 Q C 0.979 176.967 176.000 -0.020 0.000 0.796 59 Q CA 0.963 56.753 55.803 -0.021 0.000 0.971 59 Q CB -0.044 28.716 28.738 0.035 0.000 1.179 59 Q HN 0.756 nan 8.270 nan 0.000 0.505 60 T N -0.631 113.909 114.554 -0.023 0.000 2.900 60 T HA 0.181 4.529 4.350 -0.003 0.000 0.307 60 T C 0.478 175.138 174.700 -0.066 0.000 1.065 60 T CA 0.317 62.402 62.100 -0.026 0.000 1.105 60 T CB 0.920 69.787 68.868 -0.003 0.000 0.979 60 T HN 0.300 nan 8.240 nan 0.000 0.544 61 N N 0.777 119.441 118.700 -0.060 0.000 2.223 61 N HA -0.102 4.636 4.740 -0.003 0.000 0.185 61 N C 1.670 177.147 175.510 -0.056 0.000 1.016 61 N CA 0.976 53.989 53.050 -0.062 0.000 0.863 61 N CB -0.073 38.375 38.487 -0.066 0.000 0.983 61 N HN 0.689 nan 8.380 nan 0.000 0.429 62 E N 0.148 120.324 120.200 -0.040 0.000 2.106 62 E HA -0.127 4.221 4.350 -0.003 0.000 0.192 62 E C 2.170 178.717 176.600 -0.090 0.000 0.984 62 E CA 1.241 57.635 56.400 -0.011 0.000 0.806 62 E CB -0.121 29.615 29.700 0.061 0.000 0.750 62 E HN 0.379 nan 8.360 nan 0.000 0.458 63 S N -0.224 115.347 115.700 -0.215 0.000 2.395 63 S HA -0.068 4.400 4.470 -0.003 0.000 0.225 63 S C 2.161 176.534 174.600 -0.378 0.000 1.027 63 S CA 0.719 58.554 58.200 -0.609 0.000 0.965 63 S CB -0.497 62.069 63.200 -1.057 0.000 0.812 63 S HN 0.072 nan 8.310 nan 0.000 0.482 64 V N 2.826 122.624 119.914 -0.194 0.000 2.332 64 V HA -0.199 3.919 4.120 -0.003 0.000 0.248 64 V C 2.938 179.017 176.094 -0.025 0.000 1.055 64 V CA 2.304 64.555 62.300 -0.081 0.000 1.038 64 V CB -0.954 30.824 31.823 -0.076 0.000 0.651 64 V HN 0.575 nan 8.190 nan 0.000 0.450 65 R N 0.020 120.494 120.500 -0.045 0.000 2.091 65 R HA -0.164 4.174 4.340 -0.003 0.000 0.238 65 R C 2.243 178.544 176.300 0.001 0.000 1.136 65 R CA 1.986 58.078 56.100 -0.014 0.000 0.959 65 R CB -0.355 29.937 30.300 -0.014 0.000 0.856 65 R HN 0.485 nan 8.270 nan 0.000 0.437 66 I N 0.008 120.556 120.570 -0.037 0.000 2.315 66 I HA -0.278 3.890 4.170 -0.003 0.000 0.248 66 I C 2.328 178.443 176.117 -0.004 0.000 1.117 66 I CA 1.089 62.376 61.300 -0.022 0.000 1.404 66 I CB -0.443 37.536 38.000 -0.036 0.000 1.071 66 I HN 0.325 nan 8.210 nan 0.000 0.419 67 H N 0.928 119.987 119.070 -0.018 0.000 2.357 67 H HA -0.112 4.442 4.556 -0.003 0.000 0.301 67 H C 1.923 177.291 175.328 0.066 0.000 1.082 67 H CA 1.482 57.560 56.048 0.051 0.000 1.342 67 H CB 0.037 29.796 29.762 -0.005 0.000 1.389 67 H HN 0.457 nan 8.280 nan 0.000 0.511 68 E N 0.423 120.715 120.200 0.154 0.000 2.358 68 E HA -0.067 4.281 4.350 -0.003 0.000 0.195 68 E C 2.218 178.862 176.600 0.074 0.000 1.010 68 E CA -0.227 56.230 56.400 0.095 0.000 0.856 68 E CB 0.185 29.915 29.700 0.051 0.000 0.795 68 E HN 0.279 nan 8.360 nan 0.000 0.504 69 R N 1.030 121.572 120.500 0.071 0.000 2.133 69 R HA -0.198 4.140 4.340 -0.003 0.000 0.245 69 R C 2.011 178.344 176.300 0.055 0.000 1.137 69 R CA 2.279 58.414 56.100 0.058 0.000 0.947 69 R CB -0.339 30.000 30.300 0.066 0.000 0.865 69 R HN 0.240 nan 8.270 nan 0.000 0.437 70 T N -2.755 111.841 114.554 0.070 0.000 3.085 70 T HA 0.219 4.567 4.350 -0.003 0.000 0.264 70 T C 0.709 175.441 174.700 0.054 0.000 1.019 70 T CA -0.410 61.720 62.100 0.050 0.000 0.910 70 T CB 0.037 68.929 68.868 0.039 0.000 1.059 70 T HN 0.146 nan 8.240 nan 0.000 0.542 71 M N 3.165 122.809 119.600 0.073 0.000 2.284 71 M HA 0.125 4.603 4.480 -0.003 0.000 0.351 71 M C 1.567 177.897 176.300 0.050 0.000 1.443 71 M CA 0.140 55.486 55.300 0.076 0.000 1.031 71 M CB 0.722 33.371 32.600 0.081 0.000 1.893 71 M HN 0.419 nan 8.290 nan 0.000 0.456 72 S N 3.584 119.313 115.700 0.047 0.000 2.489 72 S HA 0.054 4.523 4.470 -0.003 0.000 0.228 72 S C 0.190 174.811 174.600 0.036 0.000 0.995 72 S CA 0.423 58.642 58.200 0.032 0.000 0.934 72 S CB -0.063 63.152 63.200 0.025 0.000 0.771 72 S HN 0.875 nan 8.310 nan 0.000 0.522 73 H N -0.075 118.996 119.070 0.002 0.000 2.898 73 H HA 0.145 4.700 4.556 -0.003 0.000 0.259 73 H C -1.764 173.596 175.328 0.053 0.000 1.324 73 H CA 0.090 56.183 56.048 0.075 0.000 1.474 73 H CB 0.549 30.402 29.762 0.151 0.000 1.873 73 H HN 0.389 nan 8.280 nan 0.000 0.482 74 D N 0.086 120.638 120.400 0.255 0.000 2.599 74 D HA 0.105 4.744 4.640 -0.003 0.000 0.249 74 D C -0.017 176.423 176.300 0.234 0.000 1.313 74 D CA -0.240 53.881 54.000 0.200 0.000 0.815 74 D CB 0.252 41.133 40.800 0.134 0.000 1.077 74 D HN 0.596 nan 8.370 nan 0.000 0.492 75 N N -1.600 117.253 118.700 0.256 0.000 2.610 75 N HA 0.651 5.389 4.740 -0.003 0.000 0.264 75 N C -0.640 174.982 175.510 0.187 0.000 1.348 75 N CA -0.913 52.267 53.050 0.217 0.000 0.819 75 N CB 2.166 40.748 38.487 0.159 0.000 1.521 75 N HN 0.027 nan 8.380 nan 0.000 0.497 76 G N -0.549 108.358 108.800 0.177 0.000 2.623 76 G HA2 0.426 4.384 3.960 -0.003 0.000 0.290 76 G HA3 0.426 4.384 3.960 -0.003 0.000 0.290 76 G C -2.157 172.798 174.900 0.093 0.000 1.437 76 G CA -0.517 44.613 45.100 0.050 0.000 0.798 76 G HN 0.658 nan 8.290 nan 0.000 0.488 77 D N 0.238 120.650 120.400 0.019 0.000 2.346 77 D HA 0.305 4.943 4.640 -0.003 0.000 0.255 77 D C -0.830 175.597 176.300 0.211 0.000 1.276 77 D CA -0.319 53.765 54.000 0.140 0.000 0.941 77 D CB 1.019 41.908 40.800 0.147 0.000 1.199 77 D HN 0.314 nan 8.370 nan 0.000 0.537 78 L N 4.884 126.266 121.223 0.266 0.000 2.259 78 L HA 0.387 4.726 4.340 -0.003 0.000 0.288 78 L C 0.812 177.786 176.870 0.173 0.000 1.051 78 L CA -0.280 54.725 54.840 0.276 0.000 0.824 78 L CB 0.445 42.717 42.059 0.354 0.000 1.206 78 L HN 0.544 nan 8.230 nan 0.000 0.429 79 H N 2.651 121.562 119.070 -0.265 0.000 2.476 79 H HA 0.135 4.689 4.556 -0.003 0.000 0.292 79 H C -0.212 174.788 175.328 -0.547 0.000 1.019 79 H CA 0.070 55.756 56.048 -0.603 0.000 1.330 79 H CB 0.554 29.570 29.762 -1.244 0.000 1.451 79 H HN 0.602 nan 8.280 nan 0.000 0.535 80 H N 0.394 119.527 119.070 0.105 0.000 2.547 80 H HA 0.398 4.952 4.556 -0.003 0.000 0.342 80 H C -1.034 174.296 175.328 0.002 0.000 1.048 80 H CA -0.738 55.325 56.048 0.024 0.000 1.204 80 H CB 2.430 32.286 29.762 0.158 0.000 1.493 80 H HN -0.112 nan 8.280 nan 0.000 0.511 81 V N 4.860 124.687 119.914 -0.146 0.000 2.407 81 V HA 0.252 4.370 4.120 -0.003 0.000 0.291 81 V C -0.450 175.344 176.094 -0.500 0.000 1.018 81 V CA -0.666 61.535 62.300 -0.166 0.000 0.842 81 V CB 0.988 32.764 31.823 -0.077 0.000 0.996 81 V HN 0.846 nan 8.190 nan 0.000 0.426 82 H N 4.150 123.301 119.070 0.134 0.000 2.768 82 H HA 0.525 5.079 4.556 -0.003 0.000 0.371 82 H C -0.489 174.830 175.328 -0.015 0.000 1.151 82 H CA -0.671 55.473 56.048 0.161 0.000 1.165 82 H CB 2.527 32.504 29.762 0.358 0.000 1.722 82 H HN 0.589 nan 8.280 nan 0.000 0.543 83 M N 1.522 121.080 119.600 -0.069 0.000 2.359 83 M HA 0.271 4.749 4.480 -0.003 0.000 0.322 83 M C 0.149 176.471 176.300 0.037 0.000 1.166 83 M CA -0.521 54.550 55.300 -0.383 0.000 1.067 83 M CB 0.909 32.921 32.600 -0.981 0.000 1.523 83 M HN 0.665 nan 8.290 nan 0.000 0.467 84 S N 2.047 117.714 115.700 -0.054 0.000 2.576 84 S HA 0.411 4.879 4.470 -0.003 0.000 0.276 84 S C -0.732 174.058 174.600 0.317 0.000 1.339 84 S CA -0.474 57.934 58.200 0.346 0.000 1.039 84 S CB 0.210 63.567 63.200 0.263 0.000 0.902 84 S HN 0.475 nan 8.310 nan 0.000 0.516 85 F N 0.199 120.301 119.950 0.253 0.000 2.523 85 F HA 0.616 5.141 4.527 -0.002 0.000 0.329 85 F C 0.725 176.568 175.800 0.073 0.000 1.061 85 F CA -0.626 57.484 58.000 0.183 0.000 0.967 85 F CB 2.424 41.517 39.000 0.155 0.000 1.218 85 F HN 0.551 nan 8.300 nan 0.000 0.480 86 T N 1.434 116.120 114.554 0.220 0.000 3.170 86 T HA 0.252 4.600 4.350 -0.003 0.000 0.315 86 T C -0.950 173.734 174.700 -0.027 0.000 0.967 86 T CA -0.850 61.269 62.100 0.031 0.000 1.024 86 T CB 0.782 69.646 68.868 -0.008 0.000 1.018 86 T HN 0.646 nan 8.240 nan 0.000 0.449 87 E N 1.814 121.855 120.200 -0.266 0.000 2.252 87 E HA -0.254 4.094 4.350 -0.003 0.000 0.218 87 E C 1.029 177.757 176.600 0.213 0.000 1.253 87 E CA 0.748 56.832 56.400 -0.526 0.000 0.705 87 E CB -1.457 27.934 29.700 -0.516 0.000 1.172 87 E HN 1.289 nan 8.360 nan 0.000 0.369 88 G N 0.061 109.161 108.800 0.498 0.000 2.155 88 G HA2 -0.372 3.586 3.960 -0.003 0.000 0.257 88 G HA3 -0.372 3.586 3.960 -0.003 0.000 0.257 88 G C 0.108 175.375 174.900 0.611 0.000 0.983 88 G CA 1.140 46.686 45.100 0.743 0.000 0.676 88 G HN 0.325 nan 8.290 nan 0.000 0.528 89 K N -0.948 119.660 120.400 0.346 0.000 2.435 89 K HA 0.547 4.865 4.320 -0.003 0.000 0.251 89 K C -0.632 175.877 176.600 -0.152 0.000 0.954 89 K CA -1.158 55.148 56.287 0.031 0.000 0.820 89 K CB 1.442 33.986 32.500 0.073 0.000 1.292 89 K HN 0.005 nan 8.250 nan 0.000 0.436 90 Y N 1.859 121.982 120.300 -0.295 0.000 2.497 90 Y HA -0.056 4.492 4.550 -0.003 0.000 0.334 90 Y C 1.120 176.925 175.900 -0.159 0.000 1.199 90 Y CA -0.198 57.694 58.100 -0.346 0.000 1.425 90 Y CB 0.281 38.592 38.460 -0.248 0.000 1.291 90 Y HN 0.689 nan 8.280 nan 0.000 0.562 91 D N -1.208 119.207 120.400 0.026 0.000 2.469 91 D HA 0.175 4.813 4.640 -0.003 0.000 0.213 91 D C 1.462 177.704 176.300 -0.097 0.000 1.135 91 D CA 0.294 54.281 54.000 -0.021 0.000 0.834 91 D CB 0.094 40.885 40.800 -0.015 0.000 1.009 91 D HN 0.696 nan 8.370 nan 0.000 0.507 92 G N 0.905 109.613 108.800 -0.153 0.000 2.187 92 G HA2 -0.429 3.529 3.960 -0.003 0.000 0.261 92 G HA3 -0.429 3.529 3.960 -0.003 0.000 0.261 92 G C 1.092 175.789 174.900 -0.337 0.000 1.000 92 G CA 0.749 45.702 45.100 -0.246 0.000 0.718 92 G HN 0.441 nan 8.290 nan 0.000 0.519 93 R N -1.371 118.907 120.500 -0.369 0.000 2.064 93 R HA 0.461 4.799 4.340 -0.003 0.000 0.221 93 R C 0.722 176.508 176.300 -0.856 0.000 1.136 93 R CA 0.934 56.674 56.100 -0.601 0.000 0.980 93 R CB 0.201 30.174 30.300 -0.544 0.000 0.876 93 R HN 0.404 nan 8.270 nan 0.000 0.437 94 F N -0.512 119.171 119.950 -0.445 0.000 2.629 94 F HA 0.498 5.023 4.527 -0.003 0.000 0.316 94 F C -0.695 174.537 175.800 -0.946 0.000 1.081 94 F CA -1.215 56.379 58.000 -0.676 0.000 0.954 94 F CB 1.756 40.300 39.000 -0.759 0.000 1.337 94 F HN -0.244 nan 8.300 nan 0.000 0.474 95 L N 1.601 122.392 121.223 -0.719 0.000 2.386 95 L HA 0.575 4.913 4.340 -0.003 0.000 0.271 95 L C -1.398 175.072 176.870 -0.667 0.000 0.993 95 L CA -0.496 53.910 54.840 -0.722 0.000 0.819 95 L CB 1.967 43.667 42.059 -0.598 0.000 1.294 95 L HN 0.460 nan 8.230 nan 0.000 0.414 96 F N 3.666 123.589 119.950 -0.044 0.000 2.546 96 F HA 0.762 5.288 4.527 -0.002 0.000 0.320 96 F C 0.184 176.061 175.800 0.128 0.000 1.076 96 F CA -0.870 57.155 58.000 0.041 0.000 0.928 96 F CB 2.056 41.178 39.000 0.203 0.000 1.189 96 F HN 0.292 nan 8.300 nan 0.000 0.465 97 M N 1.090 120.918 119.600 0.381 0.000 2.578 97 M HA 0.507 4.985 4.480 -0.003 0.000 0.276 97 M C -2.069 174.461 176.300 0.383 0.000 1.245 97 M CA -0.865 54.631 55.300 0.327 0.000 0.871 97 M CB 2.496 35.230 32.600 0.223 0.000 1.722 97 M HN 0.693 nan 8.290 nan 0.000 0.473 98 N N -0.333 118.550 118.700 0.305 0.000 2.476 98 N HA 0.644 5.382 4.740 -0.003 0.000 0.276 98 N C -1.636 173.962 175.510 0.147 0.000 1.204 98 N CA -0.573 52.602 53.050 0.208 0.000 0.974 98 N CB 1.627 40.176 38.487 0.104 0.000 1.204 98 N HN 0.717 nan 8.380 nan 0.000 0.543 99 D N -0.943 119.394 120.400 -0.104 0.000 2.476 99 D HA 0.149 4.787 4.640 -0.003 0.000 0.251 99 D C -0.164 175.982 176.300 -0.257 0.000 1.291 99 D CA -0.659 53.084 54.000 -0.428 0.000 0.939 99 D CB 1.378 41.450 40.800 -1.214 0.000 1.221 99 D HN 0.694 nan 8.370 nan 0.000 0.567 100 K N 2.681 122.978 120.400 -0.173 0.000 2.296 100 K HA 0.068 4.387 4.320 -0.003 0.000 0.200 100 K C 1.509 178.040 176.600 -0.114 0.000 1.048 100 K CA 0.915 57.122 56.287 -0.134 0.000 0.966 100 K CB 0.179 32.580 32.500 -0.165 0.000 0.754 100 K HN 0.385 nan 8.250 nan 0.000 0.466 101 A N 1.425 124.166 122.820 -0.131 0.000 1.873 101 A HA -0.064 4.254 4.320 -0.003 0.000 0.215 101 A C 1.201 178.672 177.584 -0.190 0.000 1.186 101 A CA 1.293 53.256 52.037 -0.123 0.000 0.616 101 A CB -0.118 18.824 19.000 -0.097 0.000 0.823 101 A HN 0.352 nan 8.150 nan 0.000 0.442 102 N N -0.425 118.105 118.700 -0.284 0.000 2.351 102 N HA 0.125 4.863 4.740 -0.003 0.000 0.254 102 N C -0.898 174.485 175.510 -0.211 0.000 1.241 102 N CA 0.524 53.382 53.050 -0.320 0.000 0.883 102 N CB 0.575 38.664 38.487 -0.662 0.000 1.202 102 N HN 0.223 nan 8.380 nan 0.000 0.512 103 T N 1.208 115.655 114.554 -0.178 0.000 3.357 103 T HA -0.222 4.126 4.350 -0.003 0.000 0.422 103 T C 0.124 174.764 174.700 -0.101 0.000 0.768 103 T CA 0.999 63.023 62.100 -0.126 0.000 2.153 103 T CB -0.983 67.828 68.868 -0.095 0.000 1.688 103 T HN 0.433 nan 8.240 nan 0.000 0.659 104 R N -0.418 120.007 120.500 -0.124 0.000 2.817 104 R HA 0.815 5.154 4.340 -0.003 0.000 0.268 104 R C -0.565 175.773 176.300 0.062 0.000 1.027 104 R CA -1.189 54.901 56.100 -0.016 0.000 0.928 104 R CB 1.928 32.263 30.300 0.057 0.000 1.228 104 R HN 0.266 nan 8.270 nan 0.000 0.469 105 V N -1.979 118.069 119.914 0.223 0.000 2.841 105 V HA 0.978 5.096 4.120 -0.003 0.000 0.310 105 V C -0.975 175.542 176.094 0.706 0.000 1.090 105 V CA -0.846 61.682 62.300 0.379 0.000 0.930 105 V CB 1.755 33.657 31.823 0.131 0.000 1.014 105 V HN 0.918 nan 8.190 nan 0.000 0.425 106 A N 3.789 127.024 122.820 0.692 0.000 2.413 106 A HA 0.961 5.279 4.320 -0.003 0.000 0.307 106 A C -0.512 177.073 177.584 0.002 0.000 1.087 106 A CA -1.037 51.219 52.037 0.364 0.000 0.750 106 A CB 2.092 21.093 19.000 0.001 0.000 1.296 106 A HN 1.094 nan 8.150 nan 0.000 0.423 107 R N 1.015 121.191 120.500 -0.540 0.000 2.599 107 R HA 0.671 5.010 4.340 -0.003 0.000 0.295 107 R C -1.969 174.050 176.300 -0.468 0.000 0.963 107 R CA -0.351 55.279 56.100 -0.783 0.000 0.883 107 R CB 1.837 31.189 30.300 -1.581 0.000 1.171 107 R HN 0.505 nan 8.270 nan 0.000 0.450 108 V N 4.720 124.416 119.914 -0.363 0.000 2.495 108 V HA 0.446 4.564 4.120 -0.003 0.000 0.298 108 V C -0.128 175.883 176.094 -0.138 0.000 1.031 108 V CA -0.881 61.267 62.300 -0.254 0.000 0.871 108 V CB 1.807 33.465 31.823 -0.276 0.000 0.988 108 V HN 0.760 nan 8.190 nan 0.000 0.432 109 R N 2.503 122.959 120.500 -0.074 0.000 2.316 109 R HA 0.202 4.540 4.340 -0.003 0.000 0.314 109 R C 0.654 176.807 176.300 -0.246 0.000 1.069 109 R CA -0.375 55.675 56.100 -0.084 0.000 0.959 109 R CB 0.530 30.792 30.300 -0.063 0.000 0.987 109 R HN 0.838 nan 8.270 nan 0.000 0.446 110 C N 1.856 120.940 119.300 -0.359 0.000 2.448 110 C HA -0.086 4.372 4.460 -0.003 0.000 0.280 110 C C 2.068 176.867 174.990 -0.318 0.000 1.398 110 C CA 0.648 59.443 59.018 -0.371 0.000 1.774 110 C CB -0.709 26.766 27.740 -0.442 0.000 1.888 110 C HN 0.889 nan 8.230 nan 0.000 0.519 111 D N 1.741 121.947 120.400 -0.324 0.000 2.178 111 D HA -0.115 4.523 4.640 -0.003 0.000 0.202 111 D C 1.596 177.692 176.300 -0.340 0.000 0.974 111 D CA 2.066 55.885 54.000 -0.301 0.000 0.841 111 D CB -0.599 40.031 40.800 -0.284 0.000 0.953 111 D HN 0.471 nan 8.370 nan 0.000 0.478 112 V N -4.531 115.159 119.914 -0.373 0.000 3.432 112 V HA 0.339 4.458 4.120 -0.003 0.000 0.298 112 V C 0.697 176.615 176.094 -0.293 0.000 1.464 112 V CA -0.434 61.561 62.300 -0.509 0.000 1.046 112 V CB -0.019 31.253 31.823 -0.917 0.000 0.887 112 V HN -0.060 nan 8.190 nan 0.000 0.441 113 M N 0.658 120.130 119.600 -0.214 0.000 2.253 113 M HA -0.119 4.359 4.480 -0.003 0.000 0.195 113 M C -0.479 175.758 176.300 -0.104 0.000 0.512 113 M CA 1.280 56.495 55.300 -0.143 0.000 0.442 113 M CB -1.810 30.741 32.600 -0.081 0.000 1.189 113 M HN 0.589 nan 8.290 nan 0.000 0.923 114 K N -0.346 119.995 120.400 -0.099 0.000 2.469 114 K HA 0.452 4.770 4.320 -0.003 0.000 0.254 114 K C -0.449 176.065 176.600 -0.143 0.000 0.939 114 K CA -0.556 55.681 56.287 -0.083 0.000 0.812 114 K CB 2.692 35.286 32.500 0.157 0.000 1.301 114 K HN 0.431 nan 8.250 nan 0.000 0.433 115 C N 3.400 122.514 119.300 -0.310 0.000 2.648 115 C HA 0.147 4.606 4.460 -0.003 0.000 0.415 115 C C 1.264 176.255 174.990 0.001 0.000 1.366 115 C CA 0.128 58.996 59.018 -0.249 0.000 1.756 115 C CB -0.821 26.665 27.740 -0.423 0.000 2.549 115 C HN 0.870 nan 8.230 nan 0.000 0.597 116 D N 3.797 124.171 120.400 -0.044 0.000 2.441 116 D HA 0.286 4.924 4.640 -0.003 0.000 0.210 116 D C 0.035 176.314 176.300 -0.035 0.000 1.102 116 D CA 0.464 54.475 54.000 0.019 0.000 0.840 116 D CB 0.343 41.150 40.800 0.011 0.000 0.990 116 D HN 0.792 nan 8.370 nan 0.000 0.505 117 A N 0.172 122.911 122.820 -0.135 0.000 2.566 117 A HA 0.641 4.959 4.320 -0.003 0.000 0.297 117 A C -1.573 176.002 177.584 -0.014 0.000 1.059 117 A CA -0.722 51.252 52.037 -0.105 0.000 0.691 117 A CB 1.180 20.026 19.000 -0.256 0.000 1.282 117 A HN 0.128 nan 8.150 nan 0.000 0.401 118 I N 1.653 122.357 120.570 0.223 0.000 2.582 118 I HA 0.530 4.698 4.170 -0.003 0.000 0.292 118 I C -1.319 175.032 176.117 0.391 0.000 1.066 118 I CA -0.827 60.686 61.300 0.355 0.000 1.053 118 I CB 2.186 40.320 38.000 0.223 0.000 1.241 118 I HN 0.603 nan 8.210 nan 0.000 0.421 119 L N 6.018 127.457 121.223 0.361 0.000 2.376 119 L HA 0.456 4.794 4.340 -0.003 0.000 0.275 119 L C -0.405 176.490 176.870 0.042 0.000 0.987 119 L CA -0.089 54.803 54.840 0.086 0.000 0.828 119 L CB 1.756 43.650 42.059 -0.275 0.000 1.249 119 L HN 0.578 nan 8.230 nan 0.000 0.409 120 E N 5.318 125.539 120.200 0.035 0.000 2.223 120 E HA 0.240 4.589 4.350 -0.003 0.000 0.282 120 E C -0.835 175.731 176.600 -0.057 0.000 1.046 120 E CA -0.622 55.789 56.400 0.018 0.000 0.857 120 E CB 0.695 30.424 29.700 0.048 0.000 1.055 120 E HN 0.540 nan 8.360 nan 0.000 0.409 121 I N 8.081 128.600 120.570 -0.084 0.000 2.322 121 I HA 0.199 4.368 4.170 -0.003 0.000 0.292 121 I C -1.795 174.263 176.117 -0.098 0.000 1.060 121 I CA -2.297 58.926 61.300 -0.129 0.000 1.309 121 I CB 0.320 38.225 38.000 -0.158 0.000 1.415 121 I HN 0.449 nan 8.210 nan 0.000 0.492 122 P HA 0.273 nan 4.420 nan 0.000 0.276 122 P C 0.055 177.312 177.300 -0.072 0.000 1.252 122 P CA -0.054 63.004 63.100 -0.070 0.000 0.802 122 P CB 1.239 32.903 31.700 -0.060 0.000 1.035 123 N N -2.691 115.976 118.700 -0.056 0.000 1.861 123 N HA -0.231 4.507 4.740 -0.003 0.000 0.216 123 N C 0.666 176.145 175.510 -0.051 0.000 0.784 123 N CA 2.343 55.364 53.050 -0.048 0.000 4.053 123 N CB -2.272 36.192 38.487 -0.038 0.000 0.716 123 N HN 0.709 nan 8.380 nan 0.000 0.274 124 A N 2.028 124.811 122.820 -0.061 0.000 2.346 124 A HA 0.528 4.846 4.320 -0.003 0.000 0.252 124 A C 0.382 177.930 177.584 -0.059 0.000 1.089 124 A CA 0.467 52.472 52.037 -0.054 0.000 0.797 124 A CB 0.556 19.514 19.000 -0.071 0.000 1.047 124 A HN 0.170 nan 8.150 nan 0.000 0.494 125 K N -0.218 120.153 120.400 -0.048 0.000 2.513 125 K HA 0.525 4.843 4.320 -0.003 0.000 0.251 125 K C -0.159 176.417 176.600 -0.040 0.000 0.939 125 K CA 0.267 56.521 56.287 -0.056 0.000 0.793 125 K CB 1.484 33.944 32.500 -0.066 0.000 1.241 125 K HN 1.934 nan 8.250 nan 0.000 0.431 126 G N 3.634 112.403 108.800 -0.052 0.000 2.462 126 G HA2 -0.191 3.767 3.960 -0.003 0.000 0.283 126 G HA3 -0.191 3.767 3.960 -0.003 0.000 0.283 126 G C -0.023 174.869 174.900 -0.014 0.000 1.043 126 G CA -0.640 44.436 45.100 -0.040 0.000 1.300 126 G HN 0.406 nan 8.290 nan 0.000 0.518 127 I N 2.431 122.978 120.570 -0.038 0.000 2.578 127 I HA 0.123 4.291 4.170 -0.003 0.000 0.286 127 I C 1.296 177.431 176.117 0.030 0.000 1.126 127 I CA 0.407 61.700 61.300 -0.011 0.000 1.380 127 I CB 0.118 38.090 38.000 -0.047 0.000 1.408 127 I HN 0.628 nan 8.210 nan 0.000 0.532 128 H N 5.505 124.561 119.070 -0.024 0.000 2.917 128 H HA 0.217 4.772 4.556 -0.003 0.000 0.247 128 H C 0.909 176.363 175.328 0.209 0.000 1.237 128 H CA 0.205 56.241 56.048 -0.021 0.000 1.711 128 H CB 0.919 30.702 29.762 0.035 0.000 1.466 128 H HN 0.571 nan 8.280 nan 0.000 0.560 129 G N 1.468 110.268 108.800 0.001 0.000 2.353 129 G HA2 0.312 4.270 3.960 -0.003 0.000 0.239 129 G HA3 0.312 4.270 3.960 -0.003 0.000 0.239 129 G C -0.846 174.094 174.900 0.067 0.000 1.295 129 G CA 0.088 45.151 45.100 -0.062 0.000 0.884 129 G HN 0.418 nan 8.290 nan 0.000 0.537 130 L N 2.152 123.411 121.223 0.060 0.000 2.614 130 L HA 0.696 5.034 4.340 -0.003 0.000 0.264 130 L C -0.677 176.250 176.870 0.095 0.000 0.940 130 L CA -0.803 54.113 54.840 0.125 0.000 0.903 130 L CB 1.423 43.612 42.059 0.217 0.000 1.306 130 L HN 0.669 nan 8.230 nan 0.000 0.410 131 R N 5.082 125.611 120.500 0.048 0.000 2.604 131 R HA 0.541 4.879 4.340 -0.003 0.000 0.270 131 R C -2.932 173.387 176.300 0.031 0.000 1.052 131 R CA -1.501 54.556 56.100 -0.071 0.000 0.902 131 R CB 2.868 33.074 30.300 -0.157 0.000 1.233 131 R HN 0.364 nan 8.270 nan 0.000 0.455 132 P HA 0.050 nan 4.420 nan 0.000 0.279 132 P C -1.269 175.960 177.300 -0.119 0.000 1.252 132 P CA -0.530 62.550 63.100 -0.032 0.000 0.811 132 P CB 0.995 32.864 31.700 0.282 0.000 1.035 133 Q N 1.354 121.037 119.800 -0.195 0.000 2.392 133 Q HA 0.021 4.359 4.340 -0.003 0.000 0.262 133 Q C 0.484 176.325 176.000 -0.266 0.000 1.003 133 Q CA 0.291 56.055 55.803 -0.065 0.000 0.888 133 Q CB 0.556 29.276 28.738 -0.029 0.000 1.260 133 Q HN 0.331 nan 8.270 nan 0.000 0.435 134 K N 2.773 122.967 120.400 -0.343 0.000 2.335 134 K HA 0.112 4.431 4.320 -0.003 0.000 0.195 134 K C -0.148 176.474 176.600 0.036 0.000 1.058 134 K CA 0.076 56.031 56.287 -0.553 0.000 0.988 134 K CB 0.703 32.732 32.500 -0.785 0.000 0.880 134 K HN 0.575 nan 8.250 nan 0.000 0.513 135 W N 2.183 123.437 121.300 -0.077 0.000 3.138 135 W HA 0.201 4.859 4.660 -0.003 0.000 0.331 135 W C -2.726 173.802 176.519 0.015 0.000 1.166 135 W CA -2.102 55.255 57.345 0.020 0.000 1.212 135 W CB 1.726 31.220 29.460 0.056 0.000 1.399 135 W HN -0.224 nan 8.180 nan 0.000 0.514 136 P HA -0.042 nan 4.420 nan 0.000 0.236 136 P C -0.088 176.948 177.300 -0.439 0.000 1.177 136 P CA 1.086 63.745 63.100 -0.736 0.000 0.773 136 P CB 1.026 32.465 31.700 -0.435 0.000 0.878 137 R N -3.066 117.338 120.500 -0.160 0.000 2.752 137 R HA 0.412 4.750 4.340 -0.003 0.000 0.277 137 R C -1.064 175.237 176.300 0.001 0.000 1.024 137 R CA -0.731 55.341 56.100 -0.047 0.000 0.866 137 R CB -0.289 29.975 30.300 -0.060 0.000 1.278 137 R HN -0.402 nan 8.270 nan 0.000 0.473 138 S N 0.955 116.710 115.700 0.091 0.000 4.120 138 S HA 0.076 4.545 4.470 -0.003 0.000 0.215 138 S C 0.282 174.839 174.600 -0.072 0.000 1.347 138 S CA -0.395 57.840 58.200 0.057 0.000 0.889 138 S CB -0.707 62.663 63.200 0.283 0.000 1.585 138 S HN 0.538 nan 8.310 nan 0.000 0.447 139 N N 0.875 119.450 118.700 -0.209 0.000 2.270 139 N HA 0.003 4.741 4.740 -0.003 0.000 0.181 139 N C -0.551 174.652 175.510 -0.512 0.000 1.016 139 N CA 0.880 53.705 53.050 -0.374 0.000 0.870 139 N CB 0.171 38.335 38.487 -0.538 0.000 0.979 139 N HN 0.417 nan 8.380 nan 0.000 0.431 140 Y N -0.436 119.618 120.300 -0.410 0.000 2.524 140 Y HA 0.530 5.078 4.550 -0.003 0.000 0.344 140 Y C -0.347 175.006 175.900 -0.912 0.000 1.012 140 Y CA -1.202 56.451 58.100 -0.745 0.000 1.068 140 Y CB 1.366 39.174 38.460 -1.088 0.000 1.249 140 Y HN -0.386 nan 8.280 nan 0.000 0.468 141 V N 3.978 123.431 119.914 -0.768 0.000 2.407 141 V HA 0.376 4.494 4.120 -0.003 0.000 0.291 141 V C -0.994 174.656 176.094 -0.740 0.000 1.018 141 V CA -0.954 60.917 62.300 -0.715 0.000 0.842 141 V CB 0.660 32.068 31.823 -0.692 0.000 0.996 141 V HN 0.462 nan 8.190 nan 0.000 0.426 142 F N 4.206 123.967 119.950 -0.316 0.000 2.385 142 F HA 0.710 5.235 4.527 -0.003 0.000 0.336 142 F C 0.573 176.170 175.800 -0.337 0.000 1.100 142 F CA -0.709 57.032 58.000 -0.432 0.000 1.116 142 F CB 1.293 40.212 39.000 -0.135 0.000 1.166 142 F HN 0.654 nan 8.300 nan 0.000 0.511 143 C N 0.769 119.875 119.300 -0.323 0.000 3.082 143 C HA 0.610 5.068 4.460 -0.003 0.000 0.324 143 C C -1.046 173.862 174.990 -0.137 0.000 1.210 143 C CA -1.320 57.606 59.018 -0.154 0.000 1.366 143 C CB 0.806 28.453 27.740 -0.156 0.000 1.756 143 C HN 0.900 nan 8.230 nan 0.000 0.485 144 N N 0.133 118.872 118.700 0.064 0.000 2.473 144 N HA 0.580 5.318 4.740 -0.003 0.000 0.291 144 N C -0.000 175.562 175.510 0.087 0.000 1.083 144 N CA -0.225 52.915 53.050 0.151 0.000 0.951 144 N CB 1.433 40.055 38.487 0.225 0.000 1.164 144 N HN 1.066 nan 8.380 nan 0.000 0.480 145 G N 0.460 109.310 108.800 0.082 0.000 2.404 145 G HA2 0.045 4.003 3.960 -0.003 0.000 0.316 145 G HA3 0.045 4.003 3.960 -0.003 0.000 0.316 145 G C 0.431 175.370 174.900 0.065 0.000 1.074 145 G CA -0.330 44.795 45.100 0.043 0.000 0.989 145 G HN 0.690 nan 8.290 nan 0.000 0.430 146 E N 1.883 122.121 120.200 0.065 0.000 2.158 146 E HA -0.062 4.287 4.350 -0.003 0.000 0.191 146 E C -0.163 176.444 176.600 0.012 0.000 0.982 146 E CA 0.371 56.801 56.400 0.050 0.000 0.823 146 E CB 0.234 29.982 29.700 0.080 0.000 0.766 146 E HN 0.436 nan 8.360 nan 0.000 0.468 147 D N 1.845 122.254 120.400 0.015 0.000 2.264 147 D HA 0.095 4.733 4.640 -0.003 0.000 0.250 147 D C -0.711 175.596 176.300 0.010 0.000 1.113 147 D CA -0.067 53.941 54.000 0.014 0.000 0.871 147 D CB 1.414 42.216 40.800 0.002 0.000 1.167 147 D HN 0.036 nan 8.370 nan 0.000 0.447 148 E N 0.869 121.097 120.200 0.047 0.000 2.324 148 E HA 0.350 4.698 4.350 -0.003 0.000 0.271 148 E C -0.267 176.313 176.600 -0.034 0.000 1.028 148 E CA 0.160 56.614 56.400 0.091 0.000 0.890 148 E CB 0.705 30.537 29.700 0.219 0.000 1.004 148 E HN 0.154 nan 8.360 nan 0.000 0.431 149 T N 3.457 117.914 114.554 -0.162 0.000 2.894 149 T HA 0.413 4.761 4.350 -0.003 0.000 0.309 149 T C -2.631 171.836 174.700 -0.388 0.000 1.208 149 T CA -1.593 60.233 62.100 -0.457 0.000 1.016 149 T CB 1.722 70.440 68.868 -0.249 0.000 1.192 149 T HN 0.159 nan 8.240 nan 0.000 0.491 150 P HA 0.228 nan 4.420 nan 0.000 0.269 150 P C 0.928 178.175 177.300 -0.088 0.000 1.209 150 P CA -0.341 62.656 63.100 -0.171 0.000 0.776 150 P CB 0.605 32.224 31.700 -0.136 0.000 0.876 151 L N 2.330 123.543 121.223 -0.016 0.000 2.042 151 L HA -0.091 4.247 4.340 -0.003 0.000 0.210 151 L C 0.412 177.272 176.870 -0.017 0.000 1.076 151 L CA 1.623 56.460 54.840 -0.006 0.000 0.749 151 L CB 0.035 42.106 42.059 0.022 0.000 0.893 151 L HN 0.121 nan 8.230 nan 0.000 0.432 152 V N 0.731 120.637 119.914 -0.013 0.000 2.277 152 V HA 0.128 4.246 4.120 -0.003 0.000 0.269 152 V C -0.225 175.851 176.094 -0.030 0.000 1.036 152 V CA -0.463 61.829 62.300 -0.014 0.000 0.821 152 V CB 0.864 32.688 31.823 0.002 0.000 1.052 152 V HN 0.227 nan 8.190 nan 0.000 0.462 153 N N 3.647 122.318 118.700 -0.048 0.000 3.188 153 N HA 0.113 4.851 4.740 -0.003 0.000 0.279 153 N C 0.594 176.079 175.510 -0.042 0.000 1.213 153 N CA -0.341 52.669 53.050 -0.067 0.000 1.138 153 N CB 0.364 38.793 38.487 -0.097 0.000 1.417 153 N HN 0.728 nan 8.380 nan 0.000 0.526 154 D N 0.085 120.471 120.400 -0.022 0.000 2.395 154 D HA 0.198 4.837 4.640 -0.003 0.000 0.213 154 D C 1.146 177.446 176.300 -0.001 0.000 1.110 154 D CA 0.014 54.009 54.000 -0.008 0.000 0.835 154 D CB -0.265 40.535 40.800 0.001 0.000 0.965 154 D HN 0.282 nan 8.370 nan 0.000 0.505 155 G N 0.413 109.211 108.800 -0.004 0.000 2.143 155 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.249 155 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.249 155 G C 0.960 175.872 174.900 0.021 0.000 0.981 155 G CA 0.813 45.918 45.100 0.009 0.000 0.665 155 G HN 0.671 nan 8.290 nan 0.000 0.528 156 T N -2.305 112.263 114.554 0.022 0.000 3.054 156 T HA 0.293 4.642 4.350 -0.003 0.000 0.255 156 T C 1.017 175.740 174.700 0.039 0.000 1.035 156 T CA 0.924 63.040 62.100 0.028 0.000 0.941 156 T CB -0.019 68.862 68.868 0.022 0.000 1.026 156 T HN 0.719 nan 8.240 nan 0.000 0.533 157 N N -0.001 118.730 118.700 0.052 0.000 2.232 157 N HA 0.280 5.018 4.740 -0.003 0.000 0.240 157 N C 1.018 176.612 175.510 0.139 0.000 1.307 157 N CA -0.429 52.669 53.050 0.079 0.000 0.859 157 N CB -0.401 38.132 38.487 0.075 0.000 1.260 157 N HN 0.231 nan 8.380 nan 0.000 0.501 158 M N -0.113 119.562 119.600 0.125 0.000 2.346 158 M HA -0.019 4.459 4.480 -0.003 0.000 0.263 158 M C 0.887 177.317 176.300 0.217 0.000 1.064 158 M CA 1.315 56.733 55.300 0.196 0.000 1.083 158 M CB -0.104 32.566 32.600 0.116 0.000 1.399 158 M HN 0.127 nan 8.290 nan 0.000 0.435 159 E N 0.160 120.429 120.200 0.114 0.000 2.230 159 E HA -0.071 4.277 4.350 -0.003 0.000 0.192 159 E C 0.343 176.943 176.600 0.000 0.000 0.987 159 E CA 0.649 57.077 56.400 0.047 0.000 0.841 159 E CB -0.306 29.411 29.700 0.029 0.000 0.783 159 E HN 0.347 nan 8.360 nan 0.000 0.481 160 D N 1.328 121.754 120.400 0.042 0.000 2.671 160 D HA -0.002 4.636 4.640 -0.003 0.000 0.228 160 D C 1.066 177.308 176.300 -0.096 0.000 1.102 160 D CA -0.075 53.927 54.000 0.003 0.000 1.044 160 D CB -0.053 40.780 40.800 0.054 0.000 1.113 160 D HN -0.232 nan 8.370 nan 0.000 0.480 161 V N 2.096 121.812 119.914 -0.331 0.000 2.392 161 V HA -0.243 3.876 4.120 -0.003 0.000 0.249 161 V C 2.170 178.005 176.094 -0.433 0.000 1.059 161 V CA 1.732 63.560 62.300 -0.787 0.000 1.051 161 V CB -0.737 30.737 31.823 -0.581 0.000 0.658 161 V HN 0.620 nan 8.190 nan 0.000 0.455 162 A N -1.179 121.525 122.820 -0.193 0.000 2.004 162 A HA 0.059 4.378 4.320 -0.003 0.000 0.212 162 A C 0.353 177.924 177.584 -0.021 0.000 1.442 162 A CA 0.064 52.046 52.037 -0.091 0.000 1.450 162 A CB -1.437 17.529 19.000 -0.057 0.000 0.749 162 A HN 0.655 nan 8.150 nan 0.000 0.591 163 Y N -3.897 116.410 120.300 0.011 0.000 2.504 163 Y HA -0.203 4.345 4.550 -0.003 0.000 0.025 163 Y C 0.425 176.337 175.900 0.019 0.000 1.699 163 Y CA 0.270 58.378 58.100 0.013 0.000 1.421 163 Y CB -0.561 37.905 38.460 0.010 0.000 2.066 163 Y HN 0.843 nan 8.280 nan 0.000 0.254 164 V N -1.206 118.805 119.914 0.162 0.000 3.206 164 V HA 0.744 4.862 4.120 -0.003 0.000 0.305 164 V C -1.073 175.073 176.094 0.086 0.000 1.257 164 V CA -1.166 61.202 62.300 0.113 0.000 1.057 164 V CB 2.392 34.270 31.823 0.092 0.000 1.075 164 V HN 0.709 nan 8.190 nan 0.000 0.443 165 N N -0.107 118.652 118.700 0.099 0.000 2.272 165 N HA 0.775 5.513 4.740 -0.003 0.000 0.305 165 N C -1.617 173.965 175.510 0.120 0.000 1.103 165 N CA -0.321 52.786 53.050 0.094 0.000 0.791 165 N CB 2.453 41.002 38.487 0.104 0.000 1.356 165 N HN 0.662 nan 8.380 nan 0.000 0.486 166 V N 2.263 122.238 119.914 0.101 0.000 2.487 166 V HA 0.402 4.520 4.120 -0.003 0.000 0.298 166 V C -0.683 175.483 176.094 0.120 0.000 1.028 166 V CA -0.833 61.528 62.300 0.102 0.000 0.860 166 V CB 1.454 33.293 31.823 0.027 0.000 0.991 166 V HN 0.525 nan 8.190 nan 0.000 0.427 167 F N 3.468 123.403 119.950 -0.025 0.000 2.404 167 F HA 0.746 5.271 4.527 -0.003 0.000 0.339 167 F C 0.274 175.950 175.800 -0.206 0.000 1.105 167 F CA 0.107 58.015 58.000 -0.155 0.000 1.087 167 F CB 1.648 40.419 39.000 -0.381 0.000 1.143 167 F HN 0.502 nan 8.300 nan 0.000 0.491 168 T N 4.965 118.903 114.554 -1.027 0.000 2.876 168 T HA 0.739 5.087 4.350 -0.003 0.000 0.289 168 T C -1.051 172.929 174.700 -1.200 0.000 1.014 168 T CA -0.606 60.965 62.100 -0.883 0.000 0.986 168 T CB 1.473 70.003 68.868 -0.563 0.000 1.021 168 T HN 0.778 nan 8.240 nan 0.000 0.458 169 A N 2.630 124.693 122.820 -1.261 0.000 2.273 169 A HA 0.727 5.045 4.320 -0.003 0.000 0.315 169 A C -0.383 176.554 177.584 -1.078 0.000 1.256 169 A CA -0.580 50.590 52.037 -1.446 0.000 0.851 169 A CB 0.548 17.908 19.000 -2.733 0.000 1.172 169 A HN 0.675 nan 8.150 nan 0.000 0.508 170 V N 2.966 122.371 119.914 -0.848 0.000 2.427 170 V HA 0.184 4.302 4.120 -0.003 0.000 0.286 170 V C 0.145 175.925 176.094 -0.522 0.000 1.034 170 V CA -0.681 61.182 62.300 -0.728 0.000 0.893 170 V CB 1.655 32.915 31.823 -0.938 0.000 0.982 170 V HN 0.929 nan 8.190 nan 0.000 0.452 171 D N 3.998 124.163 120.400 -0.390 0.000 2.349 171 D HA 0.136 4.774 4.640 -0.003 0.000 0.266 171 D C 1.045 177.231 176.300 -0.190 0.000 1.293 171 D CA 0.350 54.212 54.000 -0.231 0.000 0.926 171 D CB 1.702 42.402 40.800 -0.166 0.000 1.090 171 D HN 0.651 nan 8.370 nan 0.000 0.502 172 A N 4.389 127.105 122.820 -0.174 0.000 2.070 172 A HA -0.162 4.156 4.320 -0.003 0.000 0.220 172 A C 1.624 179.258 177.584 0.084 0.000 1.159 172 A CA 1.102 53.120 52.037 -0.030 0.000 0.656 172 A CB 0.096 19.012 19.000 -0.140 0.000 0.800 172 A HN 0.596 nan 8.150 nan 0.000 0.453 173 D N -0.715 119.701 120.400 0.027 0.000 2.259 173 D HA 0.003 4.641 4.640 -0.003 0.000 0.216 173 D C 1.625 177.949 176.300 0.039 0.000 0.961 173 D CA 0.899 54.923 54.000 0.039 0.000 0.878 173 D CB -0.099 40.722 40.800 0.036 0.000 1.009 173 D HN 0.434 nan 8.370 nan 0.000 0.490 174 K N -0.413 120.008 120.400 0.036 0.000 2.356 174 K HA 0.003 4.321 4.320 -0.003 0.000 0.195 174 K C 0.212 176.885 176.600 0.123 0.000 1.037 174 K CA -0.260 56.053 56.287 0.044 0.000 1.014 174 K CB 0.868 33.365 32.500 -0.005 0.000 0.815 174 K HN 0.163 nan 8.250 nan 0.000 0.507 175 W N 2.583 123.787 121.300 -0.160 0.000 6.199 175 W HA -0.266 4.392 4.660 -0.002 0.000 0.416 175 W C -1.177 175.264 176.519 -0.130 0.000 1.636 175 W CA 0.606 57.854 57.345 -0.163 0.000 1.040 175 W CB -0.660 28.714 29.460 -0.142 0.000 2.854 175 W HN 0.129 nan 8.180 nan 0.000 1.467 176 E N -0.269 119.766 120.200 -0.275 0.000 2.408 176 E HA 0.335 4.683 4.350 -0.003 0.000 0.275 176 E C -0.392 175.995 176.600 -0.355 0.000 0.935 176 E CA -0.907 55.335 56.400 -0.264 0.000 0.775 176 E CB 1.950 31.567 29.700 -0.138 0.000 1.277 176 E HN -0.137 nan 8.360 nan 0.000 0.455 177 V N 1.775 121.492 119.914 -0.327 0.000 2.585 177 V HA 0.073 4.192 4.120 -0.003 0.000 0.296 177 V C 1.128 177.032 176.094 -0.316 0.000 1.035 177 V CA 0.915 62.995 62.300 -0.368 0.000 1.084 177 V CB 0.857 32.500 31.823 -0.299 0.000 0.953 177 V HN 0.900 nan 8.190 nan 0.000 0.483 178 A N 5.977 128.541 122.820 -0.427 0.000 1.871 178 A HA 0.290 4.608 4.320 -0.003 0.000 0.211 178 A C 0.625 178.070 177.584 -0.232 0.000 1.207 178 A CA 0.738 52.579 52.037 -0.327 0.000 0.620 178 A CB 0.314 19.070 19.000 -0.405 0.000 0.860 178 A HN 0.943 nan 8.150 nan 0.000 0.450 179 W N -2.840 118.292 121.300 -0.279 0.000 2.989 179 W HA 0.656 5.314 4.660 -0.003 0.000 0.344 179 W C -1.675 174.658 176.519 -0.311 0.000 1.233 179 W CA -0.752 56.413 57.345 -0.299 0.000 1.187 179 W CB 0.391 29.670 29.460 -0.301 0.000 1.443 179 W HN 0.120 nan 8.180 nan 0.000 0.573 180 Q N 0.816 120.717 119.800 0.168 0.000 2.421 180 Q HA 0.642 4.980 4.340 -0.003 0.000 0.280 180 Q C -1.372 174.718 176.000 0.150 0.000 1.085 180 Q CA -1.082 54.767 55.803 0.078 0.000 0.807 180 Q CB 3.535 32.248 28.738 -0.041 0.000 1.405 180 Q HN 0.274 nan 8.270 nan 0.000 0.419 181 V N 2.044 122.065 119.914 0.178 0.000 2.588 181 V HA 0.346 4.464 4.120 -0.003 0.000 0.304 181 V C -0.931 175.297 176.094 0.223 0.000 1.042 181 V CA -0.848 61.566 62.300 0.190 0.000 0.877 181 V CB 1.626 33.635 31.823 0.310 0.000 0.996 181 V HN 0.566 nan 8.190 nan 0.000 0.425 182 L N 5.561 126.896 121.223 0.186 0.000 2.349 182 L HA 0.640 4.978 4.340 -0.003 0.000 0.275 182 L C 0.120 177.137 176.870 0.245 0.000 1.115 182 L CA 0.401 55.352 54.840 0.185 0.000 0.820 182 L CB 1.497 43.641 42.059 0.142 0.000 1.135 182 L HN 0.660 nan 8.230 nan 0.000 0.445 183 V N -0.595 119.467 119.914 0.246 0.000 3.102 183 V HA 0.737 4.856 4.120 -0.003 0.000 0.312 183 V C -0.140 176.094 176.094 0.233 0.000 1.135 183 V CA -0.801 61.675 62.300 0.293 0.000 1.022 183 V CB 1.951 33.973 31.823 0.331 0.000 1.056 183 V HN 0.640 nan 8.190 nan 0.000 0.436 184 S N 1.382 117.228 115.700 0.243 0.000 2.499 184 S HA 0.811 5.280 4.470 -0.003 0.000 0.279 184 S C 0.405 175.127 174.600 0.203 0.000 1.219 184 S CA 0.405 58.657 58.200 0.088 0.000 1.062 184 S CB 0.558 63.642 63.200 -0.193 0.000 0.978 184 S HN 2.237 nan 8.310 nan 0.000 0.489 185 G N 3.328 112.208 108.800 0.133 0.000 2.746 185 G HA2 -0.185 3.773 3.960 -0.003 0.000 0.685 185 G HA3 -0.185 3.773 3.960 -0.003 0.000 0.685 185 G C -0.432 174.515 174.900 0.078 0.000 1.350 185 G CA -0.362 44.801 45.100 0.106 0.000 0.837 185 G HN 0.966 nan 8.290 nan 0.000 0.564 186 N N -1.372 117.299 118.700 -0.049 0.000 2.418 186 N HA 0.712 5.450 4.740 -0.003 0.000 0.283 186 N C -0.018 175.460 175.510 -0.053 0.000 1.267 186 N CA -0.986 52.015 53.050 -0.083 0.000 0.975 186 N CB 0.981 39.325 38.487 -0.238 0.000 1.167 186 N HN 0.669 nan 8.380 nan 0.000 0.581 187 L N -0.282 120.928 121.223 -0.020 0.000 2.385 187 L HA 0.321 4.659 4.340 -0.003 0.000 0.273 187 L C -0.013 176.918 176.870 0.102 0.000 0.990 187 L CA -0.690 54.199 54.840 0.081 0.000 0.821 187 L CB 1.740 43.915 42.059 0.192 0.000 1.279 187 L HN 0.749 nan 8.230 nan 0.000 0.412 188 D N 1.306 121.809 120.400 0.172 0.000 2.855 188 D HA 0.153 4.791 4.640 -0.003 0.000 0.257 188 D C -0.015 176.500 176.300 0.357 0.000 1.542 188 D CA 0.467 54.682 54.000 0.358 0.000 1.164 188 D CB 0.552 41.602 40.800 0.417 0.000 1.004 188 D HN 0.570 nan 8.370 nan 0.000 0.293 189 N N -1.484 117.330 118.700 0.191 0.000 2.432 189 N HA 0.561 5.300 4.740 -0.003 0.000 0.292 189 N C -0.866 174.713 175.510 0.116 0.000 1.193 189 N CA -0.690 52.399 53.050 0.064 0.000 0.878 189 N CB 2.360 40.828 38.487 -0.031 0.000 1.252 189 N HN 0.446 nan 8.380 nan 0.000 0.520 190 C N -1.235 118.127 119.300 0.102 0.000 3.241 190 C HA 0.773 5.231 4.460 -0.003 0.000 0.312 190 C C -1.334 173.768 174.990 0.188 0.000 1.350 190 C CA -0.767 58.366 59.018 0.193 0.000 1.415 190 C CB 1.709 29.605 27.740 0.261 0.000 1.770 190 C HN 0.688 nan 8.230 nan 0.000 0.466 191 D N -0.650 119.918 120.400 0.281 0.000 2.759 191 D HA 0.811 5.449 4.640 -0.003 0.000 0.321 191 D C -0.909 175.442 176.300 0.085 0.000 1.267 191 D CA 0.161 54.318 54.000 0.262 0.000 0.933 191 D CB 2.212 43.249 40.800 0.396 0.000 1.431 191 D HN 1.264 nan 8.370 nan 0.000 0.504 192 A N 0.180 123.025 122.820 0.042 0.000 2.485 192 A HA 0.652 4.970 4.320 -0.003 0.000 0.292 192 A C -0.580 177.003 177.584 -0.002 0.000 1.147 192 A CA -0.505 51.388 52.037 -0.240 0.000 0.750 192 A CB 1.278 20.281 19.000 0.004 0.000 1.331 192 A HN 0.571 nan 8.150 nan 0.000 0.419 193 D N -1.198 119.219 120.400 0.028 0.000 2.478 193 D HA 0.191 4.830 4.640 -0.003 0.000 0.274 193 D C -0.363 175.976 176.300 0.064 0.000 1.234 193 D CA 0.022 54.196 54.000 0.291 0.000 1.069 193 D CB 0.288 41.371 40.800 0.472 0.000 1.113 193 D HN 0.442 nan 8.370 nan 0.000 0.571 194 Y N -1.266 119.099 120.300 0.107 0.000 2.485 194 Y HA 0.202 4.751 4.550 -0.003 0.000 0.260 194 Y C 1.276 177.107 175.900 -0.116 0.000 1.173 194 Y CA -0.063 58.065 58.100 0.046 0.000 1.252 194 Y CB 0.650 39.105 38.460 -0.009 0.000 1.123 194 Y HN 0.373 nan 8.280 nan 0.000 0.524 195 E N -1.518 118.684 120.200 0.003 0.000 2.572 195 E HA 0.225 4.573 4.350 -0.003 0.000 0.220 195 E C 1.474 178.088 176.600 0.023 0.000 0.945 195 E CA 0.471 56.745 56.400 -0.211 0.000 1.070 195 E CB 0.955 30.537 29.700 -0.197 0.000 1.090 195 E HN 0.358 nan 8.360 nan 0.000 0.506 196 G N 2.274 111.137 108.800 0.104 0.000 2.157 196 G HA2 -0.342 3.616 3.960 -0.003 0.000 0.248 196 G HA3 -0.342 3.616 3.960 -0.003 0.000 0.248 196 G C 0.920 175.809 174.900 -0.019 0.000 0.979 196 G CA 0.750 45.929 45.100 0.133 0.000 0.650 196 G HN 0.191 nan 8.290 nan 0.000 0.529 197 K N -1.462 118.796 120.400 -0.236 0.000 2.186 197 K HA 0.193 4.511 4.320 -0.003 0.000 0.202 197 K C 0.715 176.850 176.600 -0.775 0.000 1.052 197 K CA 1.083 56.961 56.287 -0.680 0.000 0.965 197 K CB 0.107 31.916 32.500 -1.153 0.000 0.746 197 K HN 0.593 nan 8.250 nan 0.000 0.457 198 W N -0.587 120.704 121.300 -0.016 0.000 2.992 198 W HA 0.647 5.305 4.660 -0.003 0.000 0.342 198 W C -1.092 175.116 176.519 -0.519 0.000 1.176 198 W CA -1.237 56.009 57.345 -0.166 0.000 1.118 198 W CB 1.117 30.581 29.460 0.007 0.000 1.457 198 W HN -0.279 nan 8.180 nan 0.000 0.573 199 A N 1.259 123.837 122.820 -0.403 0.000 2.498 199 A HA 0.971 5.289 4.320 -0.003 0.000 0.298 199 A C -1.830 175.406 177.584 -0.580 0.000 1.075 199 A CA -0.728 50.818 52.037 -0.819 0.000 0.714 199 A CB 0.978 19.349 19.000 -1.050 0.000 1.299 199 A HN 0.675 nan 8.150 nan 0.000 0.407 200 F N -0.813 119.139 119.950 0.003 0.000 2.631 200 F HA 0.830 5.355 4.527 -0.003 0.000 0.308 200 F C -0.060 175.736 175.800 -0.007 0.000 1.097 200 F CA -1.036 56.925 58.000 -0.065 0.000 0.952 200 F CB 1.676 40.634 39.000 -0.070 0.000 1.307 200 F HN 0.383 nan 8.300 nan 0.000 0.450 201 S N -0.281 115.515 115.700 0.161 0.000 2.546 201 S HA 0.727 5.196 4.470 -0.003 0.000 0.274 201 S C -0.711 173.952 174.600 0.104 0.000 1.121 201 S CA -0.923 57.376 58.200 0.164 0.000 0.887 201 S CB 2.175 65.502 63.200 0.212 0.000 1.094 201 S HN 0.873 nan 8.310 nan 0.000 0.474 202 T N -0.468 114.155 114.554 0.115 0.000 2.874 202 T HA 0.728 5.076 4.350 -0.003 0.000 0.281 202 T C -0.037 174.702 174.700 0.066 0.000 0.994 202 T CA -0.733 61.418 62.100 0.086 0.000 1.015 202 T CB 1.413 70.337 68.868 0.093 0.000 1.028 202 T HN 0.440 nan 8.240 nan 0.000 0.523 203 S N 0.446 116.128 115.700 -0.030 0.000 2.614 203 S HA 0.437 4.905 4.470 -0.003 0.000 0.288 203 S C -0.330 174.186 174.600 -0.140 0.000 1.137 203 S CA -0.886 57.212 58.200 -0.171 0.000 0.992 203 S CB 0.603 63.559 63.200 -0.406 0.000 1.026 203 S HN 0.840 nan 8.310 nan 0.000 0.486 204 Y N 3.465 123.737 120.300 -0.047 0.000 2.458 204 Y HA 0.540 5.088 4.550 -0.003 0.000 0.254 204 Y C 0.608 176.476 175.900 -0.054 0.000 1.120 204 Y CA -0.260 57.814 58.100 -0.043 0.000 1.282 204 Y CB -0.070 38.392 38.460 0.005 0.000 1.109 204 Y HN 0.540 nan 8.280 nan 0.000 0.526 205 N N 1.053 119.627 118.700 -0.210 0.000 2.818 205 N HA 0.091 4.829 4.740 -0.003 0.000 0.301 205 N C 0.530 175.969 175.510 -0.118 0.000 1.821 205 N CA 0.300 53.290 53.050 -0.101 0.000 0.930 205 N CB 0.236 38.646 38.487 -0.128 0.000 1.263 205 N HN 0.297 nan 8.380 nan 0.000 0.487 206 S N -0.187 115.433 115.700 -0.132 0.000 2.481 206 S HA -0.055 4.413 4.470 -0.003 0.000 0.231 206 S C 1.066 175.652 174.600 -0.023 0.000 0.996 206 S CA 0.605 58.747 58.200 -0.097 0.000 0.942 206 S CB -0.094 63.020 63.200 -0.143 0.000 0.768 206 S HN 0.368 nan 8.310 nan 0.000 0.520 207 E N 1.541 121.726 120.200 -0.025 0.000 2.427 207 E HA 0.138 4.486 4.350 -0.003 0.000 0.196 207 E C 0.297 176.887 176.600 -0.017 0.000 1.028 207 E CA 0.147 56.538 56.400 -0.015 0.000 0.864 207 E CB -0.411 29.285 29.700 -0.007 0.000 0.813 207 E HN 0.563 nan 8.360 nan 0.000 0.514 208 K N -0.615 119.777 120.400 -0.013 0.000 3.069 208 K HA -0.162 4.156 4.320 -0.003 0.000 0.267 208 K C 0.411 176.999 176.600 -0.020 0.000 1.082 208 K CA 0.303 56.585 56.287 -0.009 0.000 0.782 208 K CB -2.072 30.420 32.500 -0.013 0.000 1.230 208 K HN 0.313 nan 8.250 nan 0.000 0.488 209 G N -0.005 108.791 108.800 -0.006 0.000 2.572 209 G HA2 0.350 4.308 3.960 -0.003 0.000 0.261 209 G HA3 0.350 4.308 3.960 -0.003 0.000 0.261 209 G C 0.812 175.717 174.900 0.008 0.000 1.197 209 G CA -0.611 44.486 45.100 -0.005 0.000 0.870 209 G HN 0.080 nan 8.290 nan 0.000 0.548 210 M N 0.105 119.705 119.600 -0.000 0.000 2.308 210 M HA 0.165 4.643 4.480 -0.003 0.000 0.269 210 M C 0.911 177.231 176.300 0.033 0.000 1.040 210 M CA 0.313 55.624 55.300 0.019 0.000 1.024 210 M CB -0.121 32.472 32.600 -0.011 0.000 1.465 210 M HN 0.666 nan 8.290 nan 0.000 0.517 211 T N -2.768 111.802 114.554 0.027 0.000 2.901 211 T HA 0.473 4.821 4.350 -0.003 0.000 0.293 211 T C 0.662 175.381 174.700 0.031 0.000 1.084 211 T CA -0.802 61.315 62.100 0.028 0.000 1.008 211 T CB 2.025 70.903 68.868 0.016 0.000 1.170 211 T HN -0.028 nan 8.240 nan 0.000 0.509 212 L N 1.596 122.834 121.223 0.025 0.000 2.013 212 L HA 0.127 4.465 4.340 -0.003 0.000 0.212 212 L C -0.986 175.893 176.870 0.015 0.000 1.073 212 L CA 2.085 56.936 54.840 0.019 0.000 0.753 212 L CB -1.680 40.383 42.059 0.006 0.000 0.890 212 L HN 0.565 nan 8.230 nan 0.000 0.432 213 P HA -0.162 nan 4.420 nan 0.000 0.215 213 P C 1.332 178.638 177.300 0.009 0.000 1.153 213 P CA 1.670 64.775 63.100 0.007 0.000 0.853 213 P CB -0.045 31.658 31.700 0.005 0.000 0.788 214 E N -0.945 119.261 120.200 0.011 0.000 2.110 214 E HA -0.113 4.235 4.350 -0.003 0.000 0.193 214 E C 1.828 178.440 176.600 0.019 0.000 0.988 214 E CA 1.068 57.473 56.400 0.009 0.000 0.804 214 E CB -0.478 29.224 29.700 0.003 0.000 0.745 214 E HN 0.289 nan 8.360 nan 0.000 0.458 215 M N 0.190 119.813 119.600 0.039 0.000 2.562 215 M HA -0.035 4.443 4.480 -0.003 0.000 0.257 215 M C 1.348 177.685 176.300 0.062 0.000 1.099 215 M CA 1.005 56.347 55.300 0.070 0.000 1.099 215 M CB 0.167 32.844 32.600 0.129 0.000 1.427 215 M HN 0.088 nan 8.290 nan 0.000 0.489 216 T N -4.019 110.554 114.554 0.031 0.000 3.145 216 T HA 0.460 4.808 4.350 -0.003 0.000 0.281 216 T C 1.353 176.058 174.700 0.008 0.000 1.003 216 T CA 0.177 62.288 62.100 0.018 0.000 0.901 216 T CB 0.251 69.121 68.868 0.004 0.000 1.112 216 T HN 0.189 nan 8.240 nan 0.000 0.535 217 A N 1.615 124.440 122.820 0.008 0.000 1.929 217 A HA 0.645 4.963 4.320 -0.003 0.000 0.216 217 A C 1.624 179.207 177.584 -0.001 0.000 1.176 217 A CA 0.653 52.691 52.037 0.001 0.000 0.628 217 A CB -0.879 18.120 19.000 -0.001 0.000 0.816 217 A HN 0.821 nan 8.150 nan 0.000 0.444 218 A N -0.058 122.761 122.820 -0.001 0.000 2.425 218 A HA 0.395 4.713 4.320 -0.003 0.000 0.249 218 A C 0.690 178.273 177.584 -0.002 0.000 1.084 218 A CA -0.034 52.001 52.037 -0.003 0.000 0.781 218 A CB 0.151 19.148 19.000 -0.005 0.000 1.019 218 A HN 0.503 nan 8.150 nan 0.000 0.490 219 E N 0.871 121.069 120.200 -0.003 0.000 2.208 219 E HA -0.004 4.345 4.350 -0.003 0.000 0.193 219 E C -0.171 176.429 176.600 -0.000 0.000 0.988 219 E CA 0.840 57.239 56.400 -0.002 0.000 0.828 219 E CB 0.031 29.729 29.700 -0.003 0.000 0.763 219 E HN 0.720 nan 8.360 nan 0.000 0.478 220 M N 0.197 119.798 119.600 0.001 0.000 2.378 220 M HA 0.225 4.703 4.480 -0.003 0.000 0.289 220 M C -0.788 175.513 176.300 0.002 0.000 1.136 220 M CA -0.595 54.708 55.300 0.005 0.000 0.917 220 M CB 2.552 35.159 32.600 0.012 0.000 1.669 220 M HN -0.160 nan 8.290 nan 0.000 0.461 221 D N 0.718 121.109 120.400 -0.014 0.000 2.540 221 D HA 0.545 5.183 4.640 -0.003 0.000 0.229 221 D C -0.529 175.756 176.300 -0.024 0.000 1.258 221 D CA 0.187 54.137 54.000 -0.084 0.000 1.158 221 D CB 0.750 41.470 40.800 -0.133 0.000 1.178 221 D HN 0.786 nan 8.370 nan 0.000 0.541 222 H N -1.703 117.382 119.070 0.025 0.000 2.904 222 H HA 0.419 4.973 4.556 -0.003 0.000 0.290 222 H C -1.230 174.089 175.328 -0.015 0.000 1.437 222 H CA -0.799 55.255 56.048 0.009 0.000 1.147 222 H CB 0.567 30.361 29.762 0.053 0.000 1.824 222 H HN 0.306 nan 8.280 nan 0.000 0.505 223 I N 0.137 120.824 120.570 0.194 0.000 2.603 223 I HA 0.679 4.847 4.170 -0.003 0.000 0.300 223 I C -0.970 175.071 176.117 -0.127 0.000 1.017 223 I CA -1.248 60.086 61.300 0.057 0.000 1.098 223 I CB 2.182 40.153 38.000 -0.049 0.000 1.279 223 I HN 0.270 nan 8.210 nan 0.000 0.437 224 V N 5.688 125.423 119.914 -0.298 0.000 2.435 224 V HA 0.414 4.533 4.120 -0.003 0.000 0.290 224 V C 0.087 175.650 176.094 -0.885 0.000 1.030 224 V CA -0.677 61.118 62.300 -0.842 0.000 0.881 224 V CB 1.655 32.870 31.823 -1.012 0.000 0.983 224 V HN 0.580 nan 8.190 nan 0.000 0.445 225 V N 5.290 124.658 119.914 -0.909 0.000 2.398 225 V HA 0.471 4.589 4.120 -0.003 0.000 0.286 225 V C -0.569 175.188 176.094 -0.562 0.000 1.026 225 V CA -0.416 61.502 62.300 -0.637 0.000 0.868 225 V CB 1.236 32.618 31.823 -0.735 0.000 0.982 225 V HN 0.649 nan 8.190 nan 0.000 0.443 226 F N 3.312 123.175 119.950 -0.145 0.000 2.405 226 F HA 0.387 4.912 4.527 -0.003 0.000 0.355 226 F C 0.793 176.658 175.800 0.107 0.000 1.121 226 F CA -0.596 57.355 58.000 -0.081 0.000 1.112 226 F CB 0.867 39.677 39.000 -0.316 0.000 1.126 226 F HN 0.401 nan 8.300 nan 0.000 0.481 227 N N 4.152 122.997 118.700 0.242 0.000 2.482 227 N HA 0.097 4.836 4.740 -0.003 0.000 0.242 227 N C 0.974 176.473 175.510 -0.018 0.000 1.100 227 N CA 0.023 53.074 53.050 0.000 0.000 0.946 227 N CB 0.345 38.619 38.487 -0.355 0.000 1.227 227 N HN 0.509 nan 8.380 nan 0.000 0.508 228 I N 3.124 123.670 120.570 -0.039 0.000 2.163 228 I HA -0.265 3.904 4.170 -0.003 0.000 0.243 228 I C 2.323 178.410 176.117 -0.050 0.000 1.085 228 I CA 1.234 62.535 61.300 0.002 0.000 1.347 228 I CB -0.646 37.435 38.000 0.135 0.000 1.044 228 I HN 0.596 nan 8.210 nan 0.000 0.408 229 A N -0.059 122.703 122.820 -0.095 0.000 1.883 229 A HA -0.207 4.111 4.320 -0.003 0.000 0.217 229 A C 2.262 179.834 177.584 -0.021 0.000 1.186 229 A CA 1.700 53.701 52.037 -0.060 0.000 0.624 229 A CB -0.540 18.399 19.000 -0.101 0.000 0.822 229 A HN 0.406 nan 8.150 nan 0.000 0.444 230 E N -0.135 120.070 120.200 0.010 0.000 2.106 230 E HA -0.124 4.224 4.350 -0.003 0.000 0.192 230 E C 2.009 178.724 176.600 0.192 0.000 0.984 230 E CA 1.019 57.493 56.400 0.122 0.000 0.806 230 E CB -0.394 29.398 29.700 0.154 0.000 0.750 230 E HN 0.746 nan 8.360 nan 0.000 0.458 231 I N 1.102 121.680 120.570 0.012 0.000 2.179 231 I HA -0.249 3.919 4.170 -0.003 0.000 0.242 231 I C 2.275 178.117 176.117 -0.458 0.000 1.088 231 I CA 1.170 62.222 61.300 -0.413 0.000 1.357 231 I CB -0.251 37.212 38.000 -0.895 0.000 1.051 231 I HN 0.063 nan 8.210 nan 0.000 0.409 232 E N 0.706 120.717 120.200 -0.315 0.000 2.153 232 E HA -0.264 4.084 4.350 -0.003 0.000 0.194 232 E C 2.149 178.715 176.600 -0.057 0.000 0.988 232 E CA 0.989 57.290 56.400 -0.166 0.000 0.811 232 E CB -0.038 29.666 29.700 0.007 0.000 0.746 232 E HN 0.350 nan 8.360 nan 0.000 0.466 233 K N 0.794 121.188 120.400 -0.009 0.000 2.026 233 K HA -0.145 4.173 4.320 -0.003 0.000 0.208 233 K C 2.162 178.803 176.600 0.068 0.000 1.048 233 K CA 1.214 57.525 56.287 0.041 0.000 0.929 233 K CB -0.115 32.422 32.500 0.061 0.000 0.713 233 K HN 0.070 nan 8.250 nan 0.000 0.439 234 A N 1.631 124.514 122.820 0.105 0.000 1.902 234 A HA -0.143 4.175 4.320 -0.003 0.000 0.217 234 A C 2.053 179.721 177.584 0.139 0.000 1.181 234 A CA 1.262 53.391 52.037 0.153 0.000 0.623 234 A CB -0.467 18.697 19.000 0.273 0.000 0.818 234 A HN 0.300 nan 8.150 nan 0.000 0.443 235 I N -0.016 120.577 120.570 0.039 0.000 2.179 235 I HA -0.245 3.923 4.170 -0.003 0.000 0.242 235 I C 2.941 179.173 176.117 0.191 0.000 1.088 235 I CA 1.566 62.921 61.300 0.092 0.000 1.357 235 I CB -1.587 36.331 38.000 -0.136 0.000 1.051 235 I HN 0.368 nan 8.210 nan 0.000 0.409 236 A N 0.606 123.486 122.820 0.100 0.000 2.019 236 A HA -0.044 4.274 4.320 -0.003 0.000 0.219 236 A C 2.354 179.999 177.584 0.102 0.000 1.164 236 A CA 1.645 53.741 52.037 0.098 0.000 0.644 236 A CB -0.593 18.445 19.000 0.062 0.000 0.805 236 A HN 0.426 nan 8.150 nan 0.000 0.449 237 A N -1.840 121.039 122.820 0.099 0.000 2.238 237 A HA 0.404 4.722 4.320 -0.003 0.000 0.208 237 A C 1.834 179.442 177.584 0.039 0.000 1.177 237 A CA 1.188 53.264 52.037 0.065 0.000 0.804 237 A CB -0.910 18.125 19.000 0.060 0.000 0.823 237 A HN 1.846 nan 8.150 nan 0.000 0.482 238 G N -0.338 108.513 108.800 0.085 0.000 2.148 238 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.254 238 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.254 238 G C -0.345 174.294 174.900 -0.435 0.000 0.981 238 G CA 0.257 45.270 45.100 -0.145 0.000 0.670 238 G HN 0.489 nan 8.290 nan 0.000 0.528 239 D N 0.560 120.886 120.400 -0.124 0.000 2.522 239 D HA 0.527 5.166 4.640 -0.003 0.000 0.218 239 D C 0.272 176.590 176.300 0.031 0.000 1.149 239 D CA 0.510 54.461 54.000 -0.081 0.000 0.981 239 D CB -0.180 40.651 40.800 0.052 0.000 1.041 239 D HN 0.689 nan 8.370 nan 0.000 0.518 240 Y N -1.867 118.443 120.300 0.017 0.000 2.741 240 Y HA 0.342 4.890 4.550 -0.003 0.000 0.339 240 Y C -1.226 174.680 175.900 0.010 0.000 1.226 240 Y CA -1.316 56.784 58.100 0.001 0.000 1.072 240 Y CB 0.783 39.224 38.460 -0.032 0.000 1.331 240 Y HN -0.136 nan 8.280 nan 0.000 0.453 241 Q N 1.223 121.177 119.800 0.256 0.000 2.293 241 Q HA 0.294 4.632 4.340 -0.003 0.000 0.261 241 Q C -1.175 174.969 176.000 0.240 0.000 0.960 241 Q CA -0.917 54.986 55.803 0.167 0.000 0.882 241 Q CB 2.538 31.333 28.738 0.096 0.000 1.275 241 Q HN 0.697 nan 8.270 nan 0.000 0.445 242 E N 3.853 124.171 120.200 0.198 0.000 2.052 242 E HA 0.212 4.560 4.350 -0.003 0.000 0.283 242 E C -1.246 175.403 176.600 0.081 0.000 1.071 242 E CA -0.146 56.351 56.400 0.161 0.000 0.851 242 E CB 0.348 30.140 29.700 0.154 0.000 1.066 242 E HN 0.451 nan 8.360 nan 0.000 0.396 243 L N 5.057 126.313 121.223 0.055 0.000 2.319 243 L HA 0.337 4.676 4.340 -0.003 0.000 0.281 243 L C 0.021 176.895 176.870 0.007 0.000 1.005 243 L CA -0.936 53.921 54.840 0.028 0.000 0.828 243 L CB 1.376 43.450 42.059 0.025 0.000 1.227 243 L HN 0.639 nan 8.230 nan 0.000 0.415 244 N N 3.235 121.938 118.700 0.005 0.000 2.727 244 N HA -0.216 4.522 4.740 -0.003 0.000 0.249 244 N C 1.019 176.521 175.510 -0.012 0.000 1.048 244 N CA 1.161 54.208 53.050 -0.005 0.000 0.714 244 N CB -0.620 37.858 38.487 -0.015 0.000 0.959 244 N HN 1.167 nan 8.380 nan 0.000 0.544 245 G N -2.801 105.998 108.800 -0.001 0.000 2.205 245 G HA2 -0.337 3.621 3.960 -0.003 0.000 0.261 245 G HA3 -0.337 3.621 3.960 -0.003 0.000 0.261 245 G C 0.289 175.174 174.900 -0.025 0.000 0.980 245 G CA 1.178 46.274 45.100 -0.007 0.000 0.632 245 G HN 1.194 nan 8.290 nan 0.000 0.533 250 V N 2.663 122.573 119.914 -0.006 0.000 2.487 250 V HA 0.520 4.639 4.120 -0.003 0.000 0.298 250 V C -0.064 176.059 176.094 0.047 0.000 1.028 250 V CA -0.921 61.393 62.300 0.024 0.000 0.860 250 V CB 1.664 33.513 31.823 0.043 0.000 0.991 250 V HN 0.561 nan 8.190 nan 0.000 0.427 251 V N 0.362 120.247 119.914 -0.048 0.000 2.769 251 V HA 0.709 4.827 4.120 -0.003 0.000 0.312 251 V C -0.553 175.547 176.094 0.010 0.000 1.058 251 V CA -0.661 61.574 62.300 -0.109 0.000 0.952 251 V CB 2.063 33.511 31.823 -0.625 0.000 1.019 251 V HN 0.754 nan 8.190 nan 0.000 0.445 252 D N 2.525 123.018 120.400 0.155 0.000 2.359 252 D HA 0.529 5.167 4.640 -0.003 0.000 0.230 252 D C 0.710 177.216 176.300 0.343 0.000 1.118 252 D CA 0.277 54.405 54.000 0.213 0.000 0.844 252 D CB 1.397 42.304 40.800 0.179 0.000 1.059 252 D HN 0.934 nan 8.370 nan 0.000 0.493 253 G N 3.505 112.489 108.800 0.307 0.000 3.575 253 G HA2 0.055 4.013 3.960 -0.003 0.000 0.273 253 G HA3 0.055 4.013 3.960 -0.003 0.000 0.273 253 G C 0.648 175.717 174.900 0.281 0.000 1.053 253 G CA -0.365 44.945 45.100 0.351 0.000 0.803 253 G HN 0.310 nan 8.290 nan 0.000 0.528 254 R N 0.428 121.054 120.500 0.210 0.000 2.643 254 R HA 0.209 4.547 4.340 -0.003 0.000 0.270 254 R C 1.128 177.458 176.300 0.049 0.000 1.061 254 R CA -0.141 56.041 56.100 0.135 0.000 1.107 254 R CB 0.900 31.249 30.300 0.081 0.000 0.999 254 R HN 0.092 nan 8.270 nan 0.000 0.460 255 K N 1.821 122.142 120.400 -0.133 0.000 2.059 255 K HA -0.210 4.109 4.320 -0.003 0.000 0.212 255 K C 1.087 177.624 176.600 -0.104 0.000 1.050 255 K CA 1.856 58.013 56.287 -0.217 0.000 0.927 255 K CB -0.034 32.221 32.500 -0.409 0.000 0.714 255 K HN 0.636 nan 8.250 nan 0.000 0.447 256 E N 1.676 121.830 120.200 -0.077 0.000 2.506 256 E HA -0.049 4.300 4.350 -0.003 0.000 0.210 256 E C -0.321 176.268 176.600 -0.019 0.000 1.325 256 E CA 0.506 56.878 56.400 -0.047 0.000 1.273 256 E CB -0.664 29.016 29.700 -0.035 0.000 1.276 256 E HN 0.284 nan 8.360 nan 0.000 0.442 257 S N -1.314 114.322 115.700 -0.106 0.000 2.684 257 S HA 0.092 4.560 4.470 -0.003 0.000 0.268 257 S C -0.175 174.256 174.600 -0.281 0.000 0.982 257 S CA -0.761 57.273 58.200 -0.276 0.000 0.949 257 S CB -0.427 62.563 63.200 -0.349 0.000 1.213 257 S HN 0.116 nan 8.310 nan 0.000 0.468 258 L N 0.586 121.517 121.223 -0.486 0.000 2.728 258 L HA 0.386 4.725 4.340 -0.003 0.000 0.238 258 L C 0.698 177.577 176.870 0.015 0.000 1.143 258 L CA 0.039 54.779 54.840 -0.166 0.000 0.937 258 L CB -0.455 41.526 42.059 -0.132 0.000 1.225 258 L HN 0.632 nan 8.230 nan 0.000 0.507 259 F N -0.315 119.727 119.950 0.153 0.000 2.416 259 F HA 0.053 4.578 4.527 -0.003 0.000 0.296 259 F C 1.488 177.405 175.800 0.196 0.000 1.099 259 F CA -0.033 58.047 58.000 0.133 0.000 1.427 259 F CB -0.501 38.548 39.000 0.081 0.000 1.079 259 F HN 0.023 nan 8.300 nan 0.000 0.536 260 T N -1.536 113.175 114.554 0.262 0.000 2.896 260 T HA 0.751 5.099 4.350 -0.003 0.000 0.297 260 T C -0.749 173.697 174.700 -0.422 0.000 1.108 260 T CA -1.032 61.003 62.100 -0.108 0.000 1.004 260 T CB 3.090 71.781 68.868 -0.295 0.000 1.159 260 T HN -0.168 nan 8.240 nan 0.000 0.499 261 R N 0.776 120.815 120.500 -0.768 0.000 2.584 261 R HA 0.383 4.721 4.340 -0.003 0.000 0.276 261 R C -1.936 173.874 176.300 -0.817 0.000 1.046 261 R CA -0.674 54.932 56.100 -0.824 0.000 0.906 261 R CB 1.774 31.297 30.300 -1.295 0.000 1.215 261 R HN 0.791 nan 8.270 nan 0.000 0.449 262 Y N 2.757 122.745 120.300 -0.519 0.000 2.331 262 Y HA 0.491 5.040 4.550 -0.003 0.000 0.338 262 Y C 0.713 176.403 175.900 -0.349 0.000 0.976 262 Y CA -0.545 57.253 58.100 -0.502 0.000 1.137 262 Y CB 1.274 39.377 38.460 -0.595 0.000 1.172 262 Y HN 0.328 nan 8.280 nan 0.000 0.478 263 I N 6.419 126.881 120.570 -0.181 0.000 2.330 263 I HA 0.317 4.485 4.170 -0.003 0.000 0.289 263 I C -2.455 173.667 176.117 0.009 0.000 1.001 263 I CA -2.393 58.843 61.300 -0.107 0.000 1.193 263 I CB 1.473 39.383 38.000 -0.150 0.000 1.345 263 I HN 0.323 nan 8.210 nan 0.000 0.461 264 P HA 0.121 nan 4.420 nan 0.000 0.263 264 P C -0.879 176.442 177.300 0.034 0.000 1.195 264 P CA 0.270 63.403 63.100 0.054 0.000 0.762 264 P CB 0.410 32.124 31.700 0.024 0.000 0.799 265 I N 2.114 122.709 120.570 0.041 0.000 2.533 265 I HA 0.348 4.516 4.170 -0.003 0.000 0.290 265 I C 0.203 176.326 176.117 0.009 0.000 1.056 265 I CA -1.462 59.849 61.300 0.017 0.000 1.057 265 I CB 1.695 39.705 38.000 0.016 0.000 1.240 265 I HN 0.273 nan 8.210 nan 0.000 0.423 266 A N 5.795 128.616 122.820 0.002 0.000 2.522 266 A HA 0.187 4.506 4.320 -0.003 0.000 0.256 266 A C 0.595 178.178 177.584 -0.001 0.000 1.086 266 A CA 0.198 52.235 52.037 -0.001 0.000 0.763 266 A CB -0.442 18.555 19.000 -0.005 0.000 1.024 266 A HN 0.818 nan 8.150 nan 0.000 0.502 267 N N 1.471 120.171 118.700 -0.000 0.000 2.536 267 N HA -0.191 4.547 4.740 -0.003 0.000 0.299 267 N C -0.252 175.264 175.510 0.010 0.000 1.309 267 N CA 1.428 54.479 53.050 0.002 0.000 0.696 267 N CB -0.902 37.582 38.487 -0.006 0.000 0.965 267 N HN 0.813 nan 8.380 nan 0.000 0.530 268 N N -2.073 116.647 118.700 0.034 0.000 2.699 268 N HA -0.153 4.585 4.740 -0.003 0.000 0.256 268 N C -2.489 173.072 175.510 0.085 0.000 0.993 268 N CA 0.961 54.064 53.050 0.087 0.000 0.759 268 N CB -0.319 38.189 38.487 0.035 0.000 0.906 268 N HN 0.491 nan 8.380 nan 0.000 0.541 269 P HA -0.061 nan 4.420 nan 0.000 0.267 269 P C 0.358 177.755 177.300 0.163 0.000 1.201 269 P CA 0.551 63.699 63.100 0.079 0.000 0.775 269 P CB 1.038 32.767 31.700 0.048 0.000 0.854 270 H N 1.756 120.818 119.070 -0.012 0.000 3.022 270 H HA 0.309 4.864 4.556 -0.003 0.000 0.180 270 H C 0.900 176.205 175.328 -0.038 0.000 1.111 270 H CA 0.849 56.883 56.048 -0.023 0.000 1.304 270 H CB -0.321 29.347 29.762 -0.158 0.000 1.290 270 H HN 0.505 nan 8.280 nan 0.000 0.441 271 G N 0.235 108.889 108.800 -0.244 0.000 2.414 271 G HA2 0.265 4.223 3.960 -0.003 0.000 0.236 271 G HA3 0.265 4.223 3.960 -0.003 0.000 0.236 271 G C -0.678 174.238 174.900 0.027 0.000 1.293 271 G CA 0.335 45.325 45.100 -0.184 0.000 0.869 271 G HN 0.567 nan 8.290 nan 0.000 0.556 272 C N 3.239 122.604 119.300 0.108 0.000 2.801 272 C HA 0.529 4.987 4.460 -0.003 0.000 0.296 272 C C -0.402 174.717 174.990 0.215 0.000 1.054 272 C CA -1.278 57.823 59.018 0.137 0.000 1.442 272 C CB -1.277 26.548 27.740 0.142 0.000 1.860 272 C HN 0.744 nan 8.230 nan 0.000 0.459 273 N N 4.099 122.954 118.700 0.259 0.000 2.399 273 N HA 0.533 5.272 4.740 -0.003 0.000 0.280 273 N C -0.632 175.147 175.510 0.448 0.000 1.008 273 N CA -0.405 52.883 53.050 0.395 0.000 0.894 273 N CB 1.525 40.270 38.487 0.430 0.000 1.273 273 N HN 0.579 nan 8.380 nan 0.000 0.486 274 M N 3.027 122.856 119.600 0.381 0.000 2.146 274 M HA 0.468 4.946 4.480 -0.003 0.000 0.352 274 M C -0.375 175.939 176.300 0.024 0.000 1.343 274 M CA -0.442 54.998 55.300 0.233 0.000 1.115 274 M CB 0.403 33.198 32.600 0.325 0.000 1.657 274 M HN 0.640 nan 8.290 nan 0.000 0.471 275 A N 7.730 130.285 122.820 -0.442 0.000 2.351 275 A HA 0.535 4.853 4.320 -0.003 0.000 0.257 275 A C -1.795 175.582 177.584 -0.344 0.000 1.087 275 A CA -1.115 50.280 52.037 -1.070 0.000 0.798 275 A CB -0.383 17.997 19.000 -1.033 0.000 1.033 275 A HN 0.797 nan 8.150 nan 0.000 0.488 276 P HA -0.087 nan 4.420 nan 0.000 0.242 276 P C 0.013 177.074 177.300 -0.399 0.000 1.197 276 P CA 1.055 64.002 63.100 -0.254 0.000 0.765 276 P CB -0.085 31.581 31.700 -0.058 0.000 0.936 277 D N -0.027 120.184 120.400 -0.316 0.000 2.363 277 D HA -0.094 4.545 4.640 -0.003 0.000 0.226 277 D C 0.734 176.837 176.300 -0.328 0.000 1.020 277 D CA 0.045 53.886 54.000 -0.265 0.000 0.892 277 D CB -0.548 40.159 40.800 -0.156 0.000 0.900 277 D HN 0.083 nan 8.370 nan 0.000 0.531 278 K N -1.039 119.119 120.400 -0.404 0.000 3.472 278 K HA -0.269 4.049 4.320 -0.003 0.000 0.315 278 K C 0.729 177.220 176.600 -0.181 0.000 1.320 278 K CA 1.372 57.486 56.287 -0.287 0.000 0.962 278 K CB -1.500 30.795 32.500 -0.341 0.000 1.251 278 K HN 0.348 nan 8.250 nan 0.000 0.443 279 K N -0.291 119.913 120.400 -0.327 0.000 2.462 279 K HA 0.111 4.429 4.320 -0.003 0.000 0.201 279 K C 0.201 176.467 176.600 -0.557 0.000 1.268 279 K CA -0.054 55.942 56.287 -0.484 0.000 0.933 279 K CB 0.469 32.536 32.500 -0.722 0.000 1.162 279 K HN 0.169 nan 8.250 nan 0.000 0.527 280 H N 1.225 120.205 119.070 -0.151 0.000 2.488 280 H HA 0.235 4.789 4.556 -0.003 0.000 0.322 280 H C -0.969 174.271 175.328 -0.148 0.000 1.078 280 H CA -0.797 55.158 56.048 -0.155 0.000 1.260 280 H CB 1.509 31.192 29.762 -0.131 0.000 1.425 280 H HN -0.058 nan 8.280 nan 0.000 0.471 281 L N 3.659 124.861 121.223 -0.035 0.000 2.272 281 L HA 0.316 4.654 4.340 -0.003 0.000 0.289 281 L C -0.749 176.150 176.870 0.049 0.000 1.032 281 L CA -0.427 54.363 54.840 -0.083 0.000 0.810 281 L CB 0.601 42.445 42.059 -0.358 0.000 1.205 281 L HN 0.604 nan 8.230 nan 0.000 0.422 282 C N 5.046 124.463 119.300 0.195 0.000 2.264 282 C HA 0.622 5.080 4.460 -0.003 0.000 0.324 282 C C -0.021 175.083 174.990 0.191 0.000 1.267 282 C CA -0.961 58.222 59.018 0.275 0.000 1.618 282 C CB 0.612 28.664 27.740 0.520 0.000 2.278 282 C HN 0.572 nan 8.230 nan 0.000 0.499 283 V N 3.965 123.946 119.914 0.111 0.000 2.347 283 V HA 0.553 4.671 4.120 -0.003 0.000 0.280 283 V C 0.639 176.766 176.094 0.055 0.000 1.021 283 V CA -0.274 62.066 62.300 0.067 0.000 0.847 283 V CB 1.215 33.052 31.823 0.023 0.000 0.990 283 V HN 1.012 nan 8.190 nan 0.000 0.444 284 A N 3.684 126.535 122.820 0.051 0.000 2.454 284 A HA 0.547 4.865 4.320 -0.003 0.000 0.260 284 A C 1.455 179.046 177.584 0.011 0.000 1.106 284 A CA 0.359 52.411 52.037 0.025 0.000 0.780 284 A CB 0.572 19.572 19.000 -0.000 0.000 1.044 284 A HN 1.088 nan 8.150 nan 0.000 0.498 285 G N 0.885 109.680 108.800 -0.009 0.000 2.712 285 G HA2 0.054 4.012 3.960 -0.003 0.000 0.212 285 G HA3 0.054 4.012 3.960 -0.003 0.000 0.212 285 G C 1.069 175.960 174.900 -0.015 0.000 1.142 285 G CA 0.760 45.852 45.100 -0.012 0.000 0.789 285 G HN 1.073 nan 8.290 nan 0.000 0.535 286 K N -1.169 119.216 120.400 -0.025 0.000 10.611 286 K HA -0.342 3.976 4.320 -0.003 0.000 0.501 286 K C 1.836 178.411 176.600 -0.042 0.000 0.444 286 K CA 2.286 58.541 56.287 -0.053 0.000 1.786 286 K CB -1.424 31.020 32.500 -0.093 0.000 0.803 286 K HN 0.227 nan 8.250 nan 0.000 1.210 287 L N 0.682 121.881 121.223 -0.041 0.000 2.478 287 L HA 0.049 4.387 4.340 -0.003 0.000 0.223 287 L C 1.089 177.949 176.870 -0.018 0.000 1.140 287 L CA 0.529 55.352 54.840 -0.029 0.000 0.842 287 L CB 0.133 42.174 42.059 -0.030 0.000 0.953 287 L HN 0.255 nan 8.230 nan 0.000 0.452 288 S N 0.839 116.528 115.700 -0.019 0.000 2.451 288 S HA 0.347 4.815 4.470 -0.003 0.000 0.301 288 S C -2.057 172.526 174.600 -0.028 0.000 1.116 288 S CA -1.588 56.600 58.200 -0.020 0.000 1.093 288 S CB 1.280 64.468 63.200 -0.020 0.000 1.017 288 S HN -0.079 nan 8.310 nan 0.000 0.482 289 P HA 0.133 nan 4.420 nan 0.000 0.261 289 P C -0.126 177.129 177.300 -0.074 0.000 1.650 289 P CA 0.053 63.129 63.100 -0.041 0.000 0.846 289 P CB -0.953 30.728 31.700 -0.032 0.000 1.758 290 T N -3.823 110.682 114.554 -0.081 0.000 2.838 290 T HA 0.567 4.915 4.350 -0.003 0.000 0.292 290 T C -0.787 173.835 174.700 -0.131 0.000 1.113 290 T CA -0.852 61.173 62.100 -0.126 0.000 1.008 290 T CB 1.773 70.581 68.868 -0.099 0.000 1.259 290 T HN -0.196 nan 8.240 nan 0.000 0.520 291 V N 1.288 121.083 119.914 -0.198 0.000 2.531 291 V HA 0.542 4.660 4.120 -0.003 0.000 0.301 291 V C -0.138 175.881 176.094 -0.126 0.000 1.034 291 V CA -0.630 61.587 62.300 -0.139 0.000 0.865 291 V CB 1.975 33.684 31.823 -0.189 0.000 0.995 291 V HN 1.153 nan 8.190 nan 0.000 0.424 292 T N 4.767 119.288 114.554 -0.055 0.000 2.767 292 T HA 0.504 4.853 4.350 -0.003 0.000 0.288 292 T C -0.225 174.458 174.700 -0.028 0.000 0.963 292 T CA -0.225 61.831 62.100 -0.073 0.000 1.019 292 T CB 1.283 70.117 68.868 -0.057 0.000 0.923 292 T HN 0.351 nan 8.240 nan 0.000 0.468 293 V N 5.601 125.475 119.914 -0.067 0.000 2.398 293 V HA 0.489 4.607 4.120 -0.003 0.000 0.286 293 V C -0.382 175.676 176.094 -0.060 0.000 1.026 293 V CA -0.787 61.506 62.300 -0.012 0.000 0.868 293 V CB 1.048 32.872 31.823 0.001 0.000 0.982 293 V HN 0.647 nan 8.190 nan 0.000 0.443 294 L N 3.772 124.980 121.223 -0.026 0.000 2.342 294 L HA 0.586 4.924 4.340 -0.003 0.000 0.271 294 L C -0.095 176.714 176.870 -0.102 0.000 1.008 294 L CA -0.315 54.492 54.840 -0.056 0.000 0.818 294 L CB 1.662 43.718 42.059 -0.005 0.000 1.296 294 L HN 0.496 nan 8.230 nan 0.000 0.427 295 D N 1.033 121.336 120.400 -0.163 0.000 2.396 295 D HA 0.150 4.788 4.640 -0.003 0.000 0.225 295 D C 1.046 176.974 176.300 -0.620 0.000 1.121 295 D CA -0.313 53.545 54.000 -0.237 0.000 0.853 295 D CB 1.828 42.566 40.800 -0.104 0.000 1.043 295 D HN 0.392 nan 8.370 nan 0.000 0.500 296 V N 2.359 121.803 119.914 -0.784 0.000 2.568 296 V HA -0.207 3.912 4.120 -0.003 0.000 0.253 296 V C 1.953 177.627 176.094 -0.699 0.000 1.072 296 V CA 2.200 63.725 62.300 -1.291 0.000 1.084 296 V CB -1.674 29.858 31.823 -0.485 0.000 0.676 296 V HN 0.659 nan 8.190 nan 0.000 0.469 297 T N -1.905 112.459 114.554 -0.317 0.000 3.155 297 T HA -0.029 4.320 4.350 -0.003 0.000 0.264 297 T C 1.719 176.390 174.700 -0.049 0.000 1.160 297 T CA 1.073 63.125 62.100 -0.080 0.000 1.075 297 T CB -0.518 68.313 68.868 -0.062 0.000 0.921 297 T HN 0.610 nan 8.240 nan 0.000 0.533 298 R N -0.885 119.513 120.500 -0.171 0.000 2.334 298 R HA 0.365 4.703 4.340 -0.003 0.000 0.216 298 R C 1.465 177.829 176.300 0.107 0.000 0.905 298 R CA -0.103 55.980 56.100 -0.028 0.000 1.064 298 R CB -0.085 30.189 30.300 -0.043 0.000 1.046 298 R HN 0.469 nan 8.270 nan 0.000 0.508 299 F N 1.269 121.161 119.950 -0.096 0.000 2.186 299 F HA -0.203 4.322 4.527 -0.003 0.000 0.299 299 F C 1.956 177.794 175.800 0.064 0.000 1.090 299 F CA 0.338 58.200 58.000 -0.231 0.000 1.307 299 F CB 0.040 38.506 39.000 -0.891 0.000 1.019 299 F HN 0.031 nan 8.300 nan 0.000 0.489 300 D N 0.790 121.471 120.400 0.467 0.000 2.116 300 D HA -0.221 4.417 4.640 -0.003 0.000 0.193 300 D C 2.278 178.836 176.300 0.431 0.000 0.998 300 D CA 1.576 55.920 54.000 0.573 0.000 0.836 300 D CB -0.353 40.751 40.800 0.505 0.000 0.951 300 D HN 0.257 nan 8.370 nan 0.000 0.449 301 A N 0.627 123.616 122.820 0.282 0.000 1.933 301 A HA -0.139 4.179 4.320 -0.003 0.000 0.218 301 A C 2.559 180.213 177.584 0.117 0.000 1.175 301 A CA 1.209 53.361 52.037 0.192 0.000 0.628 301 A CB -0.649 18.428 19.000 0.128 0.000 0.814 301 A HN 0.172 nan 8.150 nan 0.000 0.444 302 V N -1.597 118.362 119.914 0.075 0.000 2.515 302 V HA -0.212 3.906 4.120 -0.003 0.000 0.250 302 V C 2.201 178.168 176.094 -0.211 0.000 1.058 302 V CA 1.848 64.095 62.300 -0.088 0.000 1.064 302 V CB -0.904 30.811 31.823 -0.180 0.000 0.675 302 V HN 0.566 nan 8.190 nan 0.000 0.461 303 F N -1.264 118.558 119.950 -0.214 0.000 2.179 303 F HA 0.018 4.544 4.527 -0.003 0.000 0.292 303 F C 2.031 177.531 175.800 -0.500 0.000 1.089 303 F CA 1.470 59.198 58.000 -0.454 0.000 1.295 303 F CB -0.207 38.354 39.000 -0.733 0.000 1.041 303 F HN 0.121 nan 8.300 nan 0.000 0.487 304 Y N -1.628 118.820 120.300 0.245 0.000 2.498 304 Y HA 0.179 4.727 4.550 -0.003 0.000 0.259 304 Y C 1.222 177.172 175.900 0.083 0.000 1.086 304 Y CA 0.052 58.237 58.100 0.141 0.000 1.287 304 Y CB 0.046 38.587 38.460 0.135 0.000 1.146 304 Y HN -0.046 nan 8.280 nan 0.000 0.523 305 E N 0.593 120.908 120.200 0.190 0.000 2.499 305 E HA 0.055 4.403 4.350 -0.003 0.000 0.199 305 E C -0.125 176.510 176.600 0.057 0.000 1.016 305 E CA -0.162 56.309 56.400 0.118 0.000 0.933 305 E CB -0.089 29.680 29.700 0.115 0.000 1.050 305 E HN 0.349 nan 8.360 nan 0.000 0.462 306 N N 0.550 119.266 118.700 0.027 0.000 2.693 306 N HA -0.245 4.494 4.740 -0.003 0.000 0.249 306 N C -0.058 175.441 175.510 -0.018 0.000 1.119 306 N CA -0.005 53.037 53.050 -0.013 0.000 0.717 306 N CB -0.367 38.117 38.487 -0.004 0.000 1.071 306 N HN 0.255 nan 8.380 nan 0.000 0.555 310 R N 1.152 121.640 120.500 -0.020 0.000 2.328 310 R HA 0.025 4.363 4.340 -0.003 0.000 0.207 310 R C 1.639 177.955 176.300 0.028 0.000 1.056 310 R CA 1.427 57.532 56.100 0.007 0.000 1.016 310 R CB -0.735 29.576 30.300 0.018 0.000 0.872 310 R HN 0.570 nan 8.270 nan 0.000 0.471 311 S N -0.090 115.624 115.700 0.023 0.000 2.507 311 S HA -0.016 4.452 4.470 -0.003 0.000 0.235 311 S C 1.891 176.516 174.600 0.042 0.000 0.988 311 S CA 0.807 59.029 58.200 0.037 0.000 0.944 311 S CB 0.064 63.281 63.200 0.029 0.000 0.762 311 S HN 0.284 nan 8.310 nan 0.000 0.526 312 A N 0.941 123.789 122.820 0.046 0.000 2.169 312 A HA 0.429 4.748 4.320 -0.003 0.000 0.212 312 A C 0.821 178.408 177.584 0.004 0.000 1.153 312 A CA 0.026 52.091 52.037 0.046 0.000 0.756 312 A CB -0.315 18.791 19.000 0.177 0.000 0.813 312 A HN 0.400 nan 8.150 nan 0.000 0.471 313 V N 1.385 121.297 119.914 -0.004 0.000 2.470 313 V HA 0.156 4.275 4.120 -0.003 0.000 0.276 313 V C 1.266 177.282 176.094 -0.130 0.000 1.040 313 V CA 0.598 62.847 62.300 -0.085 0.000 1.008 313 V CB 1.128 32.895 31.823 -0.093 0.000 0.990 313 V HN 0.448 nan 8.190 nan 0.000 0.477 314 V N 1.606 121.389 119.914 -0.218 0.000 3.477 314 V HA 0.845 4.963 4.120 -0.003 0.000 0.297 314 V C 0.395 176.236 176.094 -0.421 0.000 1.433 314 V CA 0.484 62.674 62.300 -0.182 0.000 1.052 314 V CB 0.049 31.849 31.823 -0.040 0.000 0.895 314 V HN 1.013 nan 8.190 nan 0.000 0.438 315 A N 0.219 122.601 122.820 -0.730 0.000 2.590 315 A HA 0.776 5.095 4.320 -0.003 0.000 0.296 315 A C -0.786 176.451 177.584 -0.578 0.000 1.050 315 A CA -0.020 51.610 52.037 -0.679 0.000 0.697 315 A CB 1.482 20.359 19.000 -0.206 0.000 1.277 315 A HN 0.294 nan 8.150 nan 0.000 0.411 316 E N 1.646 121.619 120.200 -0.379 0.000 3.286 316 E HA 0.256 4.605 4.350 -0.003 0.000 0.309 316 E C -2.767 173.759 176.600 -0.124 0.000 1.174 316 E CA -1.146 55.129 56.400 -0.208 0.000 0.984 316 E CB 0.958 30.581 29.700 -0.128 0.000 1.401 316 E HN 0.564 nan 8.360 nan 0.000 0.388 317 P HA 0.028 nan 4.420 nan 0.000 0.271 317 P C -0.491 176.664 177.300 -0.241 0.000 1.216 317 P CA -0.048 62.917 63.100 -0.226 0.000 0.771 317 P CB 1.011 32.488 31.700 -0.371 0.000 0.864 318 E N 2.865 122.973 120.200 -0.153 0.000 2.180 318 E HA 0.136 4.485 4.350 -0.003 0.000 0.283 318 E C 0.167 176.668 176.600 -0.164 0.000 1.061 318 E CA -0.347 55.974 56.400 -0.131 0.000 0.861 318 E CB 0.165 29.822 29.700 -0.073 0.000 1.056 318 E HN 0.424 nan 8.360 nan 0.000 0.407 319 L N 3.660 124.765 121.223 -0.196 0.000 2.537 319 L HA 0.451 4.790 4.340 -0.003 0.000 0.224 319 L C 1.036 177.848 176.870 -0.097 0.000 1.065 319 L CA 0.414 55.136 54.840 -0.196 0.000 0.860 319 L CB 0.473 42.342 42.059 -0.316 0.000 1.086 319 L HN 0.749 nan 8.230 nan 0.000 0.482 320 G N -0.185 108.573 108.800 -0.070 0.000 2.359 320 G HA2 0.160 4.119 3.960 -0.003 0.000 0.293 320 G HA3 0.160 4.119 3.960 -0.003 0.000 0.293 320 G C -1.586 173.306 174.900 -0.013 0.000 1.300 320 G CA -1.012 44.070 45.100 -0.030 0.000 0.888 320 G HN -0.124 nan 8.290 nan 0.000 0.541 321 L N 1.303 122.531 121.223 0.008 0.000 2.313 321 L HA 0.473 4.811 4.340 -0.003 0.000 0.282 321 L C 1.438 178.343 176.870 0.058 0.000 1.092 321 L CA 0.861 55.717 54.840 0.026 0.000 0.831 321 L CB 0.819 42.896 42.059 0.031 0.000 1.159 321 L HN 1.978 nan 8.230 nan 0.000 0.442 322 G N 3.165 111.999 108.800 0.056 0.000 2.248 322 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.263 322 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.263 322 G C -2.292 172.652 174.900 0.074 0.000 1.082 322 G CA -0.891 44.261 45.100 0.086 0.000 0.863 322 G HN 0.453 nan 8.290 nan 0.000 0.495 323 P HA 0.254 nan 4.420 nan 0.000 0.267 323 P C 0.906 178.211 177.300 0.008 0.000 1.209 323 P CA -0.008 63.110 63.100 0.030 0.000 0.763 323 P CB 1.175 32.871 31.700 -0.006 0.000 0.816 324 L N 2.310 123.547 121.223 0.023 0.000 2.600 324 L HA 0.252 4.590 4.340 -0.003 0.000 0.213 324 L C 1.047 177.730 176.870 -0.312 0.000 1.045 324 L CA 0.429 55.216 54.840 -0.087 0.000 0.863 324 L CB -0.006 42.036 42.059 -0.029 0.000 1.189 324 L HN 0.477 nan 8.230 nan 0.000 0.484 325 H N -0.976 118.164 119.070 0.117 0.000 2.985 325 H HA 0.480 5.034 4.556 -0.003 0.000 0.360 325 H C -1.183 174.201 175.328 0.095 0.000 1.221 325 H CA -0.411 55.687 56.048 0.084 0.000 1.121 325 H CB 2.403 32.179 29.762 0.024 0.000 1.854 325 H HN -0.197 nan 8.280 nan 0.000 0.551 326 T N 0.979 115.646 114.554 0.189 0.000 2.886 326 T HA 0.666 5.014 4.350 -0.003 0.000 0.292 326 T C -0.447 174.079 174.700 -0.290 0.000 1.012 326 T CA -0.662 61.433 62.100 -0.009 0.000 0.982 326 T CB 1.980 70.851 68.868 0.006 0.000 1.018 326 T HN 0.713 nan 8.240 nan 0.000 0.451 327 A N 2.307 124.891 122.820 -0.394 0.000 2.386 327 A HA 0.981 5.299 4.320 -0.003 0.000 0.308 327 A C -1.554 175.649 177.584 -0.636 0.000 1.128 327 A CA -0.783 51.011 52.037 -0.405 0.000 0.789 327 A CB 1.021 19.990 19.000 -0.051 0.000 1.325 327 A HN 0.712 nan 8.150 nan 0.000 0.437 328 F N 0.557 120.624 119.950 0.195 0.000 2.565 328 F HA 0.461 4.986 4.527 -0.003 0.000 0.313 328 F C -0.000 175.896 175.800 0.161 0.000 1.091 328 F CA -0.751 57.348 58.000 0.166 0.000 0.915 328 F CB 2.096 41.151 39.000 0.093 0.000 1.208 328 F HN 0.720 nan 8.300 nan 0.000 0.453 329 D N 0.287 120.914 120.400 0.378 0.000 2.529 329 D HA 0.400 5.039 4.640 -0.003 0.000 0.273 329 D C 0.962 177.365 176.300 0.171 0.000 1.197 329 D CA -0.783 53.359 54.000 0.237 0.000 1.070 329 D CB 0.764 41.716 40.800 0.253 0.000 1.134 329 D HN 0.612 nan 8.370 nan 0.000 0.590 330 G N -1.394 107.472 108.800 0.109 0.000 3.181 330 G HA2 -0.008 3.950 3.960 -0.003 0.000 0.219 330 G HA3 -0.008 3.950 3.960 -0.003 0.000 0.219 330 G C 0.967 175.896 174.900 0.048 0.000 1.182 330 G CA -0.304 44.838 45.100 0.070 0.000 0.791 330 G HN 0.325 nan 8.290 nan 0.000 0.537 331 R N -0.726 119.810 120.500 0.060 0.000 2.397 331 R HA 0.303 4.641 4.340 -0.003 0.000 0.241 331 R C 1.582 177.892 176.300 0.017 0.000 0.914 331 R CA 0.562 56.683 56.100 0.036 0.000 1.071 331 R CB 0.658 30.985 30.300 0.044 0.000 1.116 331 R HN 0.266 nan 8.270 nan 0.000 0.524 332 G N 0.588 109.398 108.800 0.017 0.000 2.144 332 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.218 332 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.218 332 G C -0.410 174.450 174.900 -0.068 0.000 0.988 332 G CA -0.472 44.616 45.100 -0.020 0.000 0.659 332 G HN 0.224 nan 8.290 nan 0.000 0.522 333 N N 0.496 119.161 118.700 -0.058 0.000 2.489 333 N HA 0.747 5.485 4.740 -0.003 0.000 0.284 333 N C 0.101 175.430 175.510 -0.301 0.000 1.158 333 N CA 0.488 53.392 53.050 -0.244 0.000 0.965 333 N CB 1.838 40.159 38.487 -0.277 0.000 1.195 333 N HN 0.727 nan 8.380 nan 0.000 0.506 334 A N 0.917 123.275 122.820 -0.769 0.000 2.380 334 A HA 0.715 5.033 4.320 -0.003 0.000 0.315 334 A C -1.739 175.278 177.584 -0.945 0.000 1.101 334 A CA -0.525 51.020 52.037 -0.820 0.000 0.771 334 A CB 0.815 18.954 19.000 -1.435 0.000 1.287 334 A HN 0.612 nan 8.150 nan 0.000 0.436 335 Y N 0.358 120.493 120.300 -0.275 0.000 2.329 335 Y HA 0.539 5.087 4.550 -0.003 0.000 0.328 335 Y C 0.277 176.219 175.900 0.071 0.000 0.992 335 Y CA -0.380 57.702 58.100 -0.029 0.000 1.151 335 Y CB 2.496 40.941 38.460 -0.025 0.000 1.150 335 Y HN 0.566 nan 8.280 nan 0.000 0.450 336 T N 2.232 116.987 114.554 0.336 0.000 2.829 336 T HA 0.417 4.765 4.350 -0.003 0.000 0.280 336 T C -0.347 174.482 174.700 0.215 0.000 0.999 336 T CA -1.039 61.237 62.100 0.293 0.000 0.983 336 T CB 0.982 70.068 68.868 0.363 0.000 0.968 336 T HN 0.584 nan 8.240 nan 0.000 0.446 337 S N 3.184 119.000 115.700 0.194 0.000 2.523 337 S HA 0.537 5.005 4.470 -0.003 0.000 0.275 337 S C -0.268 174.419 174.600 0.145 0.000 1.281 337 S CA -0.892 57.411 58.200 0.171 0.000 1.050 337 S CB 0.046 63.369 63.200 0.205 0.000 0.937 337 S HN 0.570 nan 8.310 nan 0.000 0.492 338 L N 4.126 125.420 121.223 0.117 0.000 2.313 338 L HA 0.397 4.736 4.340 -0.003 0.000 0.273 338 L C 0.669 177.610 176.870 0.118 0.000 1.028 338 L CA -0.630 54.271 54.840 0.101 0.000 0.871 338 L CB 0.510 42.604 42.059 0.058 0.000 1.242 338 L HN 0.795 nan 8.230 nan 0.000 0.434 339 F N 2.750 122.709 119.950 0.014 0.000 2.069 339 F HA -0.236 4.289 4.527 -0.003 0.000 0.298 339 F C 1.788 177.605 175.800 0.029 0.000 1.113 339 F CA 1.891 59.897 58.000 0.011 0.000 1.214 339 F CB 0.186 39.172 39.000 -0.023 0.000 0.978 339 F HN 0.377 nan 8.300 nan 0.000 0.474 340 L N -0.480 120.832 121.223 0.149 0.000 2.044 340 L HA -0.168 4.171 4.340 -0.003 0.000 0.205 340 L C 1.875 178.739 176.870 -0.010 0.000 1.075 340 L CA 1.305 56.179 54.840 0.056 0.000 0.747 340 L CB -0.745 41.388 42.059 0.124 0.000 0.903 340 L HN 0.007 nan 8.230 nan 0.000 0.435 341 D N -0.357 120.049 120.400 0.011 0.000 2.371 341 D HA -0.087 4.552 4.640 -0.003 0.000 0.221 341 D C 1.052 177.342 176.300 -0.017 0.000 0.986 341 D CA 0.482 54.483 54.000 0.002 0.000 0.899 341 D CB 0.139 40.946 40.800 0.012 0.000 0.902 341 D HN 0.122 nan 8.370 nan 0.000 0.530 342 S N 0.077 115.748 115.700 -0.048 0.000 3.608 342 S HA -0.230 4.238 4.470 -0.003 0.000 0.382 342 S C -0.201 174.358 174.600 -0.069 0.000 0.945 342 S CA 0.569 58.726 58.200 -0.072 0.000 1.256 342 S CB -1.113 62.065 63.200 -0.037 0.000 0.913 342 S HN 0.391 nan 8.310 nan 0.000 0.518 343 Q N -0.382 119.402 119.800 -0.027 0.000 2.565 343 Q HA 0.716 5.054 4.340 -0.003 0.000 0.294 343 Q C -1.147 174.876 176.000 0.038 0.000 1.005 343 Q CA -1.044 54.751 55.803 -0.012 0.000 0.771 343 Q CB 2.048 30.790 28.738 0.007 0.000 1.486 343 Q HN 0.214 nan 8.270 nan 0.000 0.422 344 V N 1.215 121.167 119.914 0.064 0.000 2.417 344 V HA 0.451 4.569 4.120 -0.003 0.000 0.291 344 V C -0.953 175.227 176.094 0.143 0.000 1.024 344 V CA -0.655 61.720 62.300 0.125 0.000 0.861 344 V CB 1.751 33.663 31.823 0.150 0.000 0.985 344 V HN 0.514 nan 8.190 nan 0.000 0.436 345 V N 6.181 126.199 119.914 0.173 0.000 2.417 345 V HA 0.543 4.661 4.120 -0.003 0.000 0.291 345 V C -0.111 176.126 176.094 0.239 0.000 1.024 345 V CA -0.621 61.783 62.300 0.174 0.000 0.861 345 V CB 1.546 33.441 31.823 0.121 0.000 0.985 345 V HN 0.916 nan 8.190 nan 0.000 0.436 346 K N 8.519 129.003 120.400 0.141 0.000 2.211 346 K HA 0.485 4.803 4.320 -0.003 0.000 0.275 346 K C -1.161 175.479 176.600 0.065 0.000 1.024 346 K CA -0.631 55.605 56.287 -0.085 0.000 0.887 346 K CB 0.839 33.279 32.500 -0.099 0.000 1.084 346 K HN 0.825 nan 8.250 nan 0.000 0.463 347 W N 2.949 124.098 121.300 -0.251 0.000 3.107 347 W HA 0.347 5.005 4.660 -0.003 0.000 0.331 347 W C -1.498 174.942 176.519 -0.132 0.000 1.204 347 W CA -1.042 56.219 57.345 -0.140 0.000 1.184 347 W CB 0.220 29.630 29.460 -0.084 0.000 1.421 347 W HN 0.448 nan 8.180 nan 0.000 0.544 348 N N 2.035 120.766 118.700 0.052 0.000 2.426 348 N HA 0.230 4.968 4.740 -0.003 0.000 0.275 348 N C 0.960 176.469 175.510 -0.001 0.000 1.019 348 N CA -0.265 52.743 53.050 -0.069 0.000 0.941 348 N CB 1.332 39.812 38.487 -0.012 0.000 1.123 348 N HN 0.497 nan 8.380 nan 0.000 0.486 349 I N 2.307 122.770 120.570 -0.178 0.000 2.142 349 I HA -0.237 3.931 4.170 -0.003 0.000 0.240 349 I C 1.912 178.001 176.117 -0.046 0.000 1.078 349 I CA 0.978 62.208 61.300 -0.117 0.000 1.343 349 I CB -0.112 37.758 38.000 -0.217 0.000 1.046 349 I HN 0.555 nan 8.210 nan 0.000 0.405 350 E N 0.870 121.034 120.200 -0.060 0.000 2.118 350 E HA -0.223 4.125 4.350 -0.003 0.000 0.195 350 E C 1.741 178.346 176.600 0.009 0.000 0.992 350 E CA 1.230 57.609 56.400 -0.035 0.000 0.804 350 E CB -0.421 29.273 29.700 -0.010 0.000 0.741 350 E HN 0.490 nan 8.360 nan 0.000 0.458 351 D N 0.373 120.794 120.400 0.035 0.000 2.178 351 D HA -0.074 4.564 4.640 -0.003 0.000 0.202 351 D C 1.787 178.136 176.300 0.083 0.000 0.974 351 D CA 1.159 55.193 54.000 0.056 0.000 0.841 351 D CB -0.077 40.761 40.800 0.063 0.000 0.953 351 D HN 0.144 nan 8.370 nan 0.000 0.478 352 A N 0.685 123.582 122.820 0.128 0.000 1.930 352 A HA -0.095 4.223 4.320 -0.003 0.000 0.217 352 A C 2.331 179.968 177.584 0.089 0.000 1.175 352 A CA 0.655 52.774 52.037 0.138 0.000 0.627 352 A CB -0.551 18.611 19.000 0.271 0.000 0.815 352 A HN 0.172 nan 8.150 nan 0.000 0.443 353 I N -0.837 119.760 120.570 0.045 0.000 2.252 353 I HA -0.253 3.915 4.170 -0.003 0.000 0.245 353 I C 2.739 178.912 176.117 0.094 0.000 1.102 353 I CA 1.218 62.539 61.300 0.035 0.000 1.385 353 I CB -0.321 37.653 38.000 -0.044 0.000 1.064 353 I HN 0.292 nan 8.210 nan 0.000 0.414 354 R N 0.796 121.335 120.500 0.065 0.000 2.075 354 R HA -0.090 4.248 4.340 -0.003 0.000 0.232 354 R C 2.463 178.801 176.300 0.065 0.000 1.126 354 R CA 1.405 57.539 56.100 0.058 0.000 0.963 354 R CB -0.463 29.860 30.300 0.039 0.000 0.858 354 R HN 0.341 nan 8.270 nan 0.000 0.435 355 A N 0.461 123.326 122.820 0.076 0.000 1.933 355 A HA -0.210 4.108 4.320 -0.003 0.000 0.218 355 A C 1.942 179.578 177.584 0.087 0.000 1.175 355 A CA 1.067 53.144 52.037 0.066 0.000 0.628 355 A CB -0.647 18.391 19.000 0.063 0.000 0.814 355 A HN 0.408 nan 8.150 nan 0.000 0.444 356 Y N 0.540 120.833 120.300 -0.012 0.000 2.274 356 Y HA -0.026 4.522 4.550 -0.003 0.000 0.290 356 Y C 2.423 178.316 175.900 -0.011 0.000 1.145 356 Y CA 0.880 58.971 58.100 -0.016 0.000 1.203 356 Y CB -0.302 38.148 38.460 -0.017 0.000 0.984 356 Y HN 0.292 nan 8.280 nan 0.000 0.533 357 A N -1.089 121.758 122.820 0.044 0.000 2.235 357 A HA 0.343 4.661 4.320 -0.003 0.000 0.208 357 A C 1.940 179.491 177.584 -0.055 0.000 1.172 357 A CA 1.025 53.046 52.037 -0.026 0.000 0.786 357 A CB -1.061 17.958 19.000 0.032 0.000 0.804 357 A HN 0.833 nan 8.150 nan 0.000 0.479 358 G N -1.053 107.717 108.800 -0.050 0.000 2.231 358 G HA2 -0.183 3.776 3.960 -0.003 0.000 0.206 358 G HA3 -0.183 3.776 3.960 -0.003 0.000 0.206 358 G C -0.061 174.828 174.900 -0.018 0.000 0.996 358 G CA 0.028 45.102 45.100 -0.045 0.000 0.645 358 G HN 0.537 nan 8.290 nan 0.000 0.498 359 E N 0.785 120.984 120.200 -0.001 0.000 2.452 359 E HA 0.268 4.616 4.350 -0.003 0.000 0.261 359 E C -0.001 176.604 176.600 0.007 0.000 0.987 359 E CA 0.129 56.532 56.400 0.006 0.000 0.926 359 E CB 0.418 30.128 29.700 0.015 0.000 0.934 359 E HN -0.004 nan 8.360 nan 0.000 0.452 360 K N 2.552 122.954 120.400 0.005 0.000 2.155 360 K HA 0.119 4.438 4.320 -0.003 0.000 0.240 360 K C -0.800 175.806 176.600 0.010 0.000 1.193 360 K CA -0.067 56.223 56.287 0.005 0.000 1.104 360 K CB -0.074 32.427 32.500 0.002 0.000 1.558 360 K HN 0.315 nan 8.250 nan 0.000 0.313 361 V N -0.964 118.959 119.914 0.016 0.000 2.932 361 V HA 0.502 4.620 4.120 -0.003 0.000 0.307 361 V C -1.499 174.610 176.094 0.026 0.000 1.147 361 V CA -1.050 61.263 62.300 0.021 0.000 0.951 361 V CB 2.418 34.256 31.823 0.025 0.000 1.031 361 V HN 0.323 nan 8.190 nan 0.000 0.426 362 D N 6.151 126.567 120.400 0.027 0.000 2.317 362 D HA 0.515 5.153 4.640 -0.003 0.000 0.234 362 D C -1.446 174.883 176.300 0.048 0.000 1.112 362 D CA -1.971 52.047 54.000 0.030 0.000 0.840 362 D CB 2.341 43.156 40.800 0.024 0.000 1.078 362 D HN 0.560 nan 8.370 nan 0.000 0.486 363 P HA 0.019 nan 4.420 nan 0.000 0.229 363 P C 0.698 178.087 177.300 0.148 0.000 1.160 363 P CA 0.234 63.405 63.100 0.118 0.000 0.777 363 P CB 0.540 32.330 31.700 0.150 0.000 0.814 364 I N 0.966 121.594 120.570 0.097 0.000 2.471 364 I HA 0.045 4.214 4.170 -0.003 0.000 0.286 364 I C 1.497 177.659 176.117 0.076 0.000 1.079 364 I CA -0.113 61.248 61.300 0.101 0.000 1.398 364 I CB 0.824 38.852 38.000 0.047 0.000 1.403 364 I HN -0.204 nan 8.210 nan 0.000 0.530 365 K N 3.209 123.655 120.400 0.076 0.000 2.335 365 K HA 0.263 4.582 4.320 -0.003 0.000 0.195 365 K C -0.197 176.433 176.600 0.050 0.000 1.058 365 K CA 0.342 56.658 56.287 0.049 0.000 0.988 365 K CB 0.193 32.709 32.500 0.026 0.000 0.880 365 K HN 0.609 nan 8.250 nan 0.000 0.513 366 D N -0.457 119.980 120.400 0.062 0.000 2.728 366 D HA 0.275 4.913 4.640 -0.003 0.000 0.249 366 D C -1.725 174.623 176.300 0.080 0.000 1.225 366 D CA -0.421 53.620 54.000 0.068 0.000 0.748 366 D CB 1.263 42.109 40.800 0.077 0.000 1.326 366 D HN -0.232 nan 8.370 nan 0.000 0.426 367 K N 1.335 121.778 120.400 0.071 0.000 2.482 367 K HA 0.624 4.942 4.320 -0.003 0.000 0.251 367 K C -1.441 175.197 176.600 0.064 0.000 0.936 367 K CA -0.984 55.345 56.287 0.070 0.000 0.791 367 K CB 2.508 35.038 32.500 0.049 0.000 1.213 367 K HN 0.338 nan 8.250 nan 0.000 0.428 368 L N 2.337 123.600 121.223 0.066 0.000 2.362 368 L HA 0.390 4.728 4.340 -0.003 0.000 0.275 368 L C -1.132 175.739 176.870 0.002 0.000 0.998 368 L CA -0.345 54.524 54.840 0.049 0.000 0.820 368 L CB 1.564 43.667 42.059 0.074 0.000 1.270 368 L HN 0.490 nan 8.230 nan 0.000 0.415 369 D N 4.121 124.504 120.400 -0.029 0.000 2.383 369 D HA 0.348 4.987 4.640 -0.003 0.000 0.252 369 D C -0.068 176.039 176.300 -0.322 0.000 1.166 369 D CA 0.277 54.196 54.000 -0.137 0.000 0.879 369 D CB 1.510 42.251 40.800 -0.098 0.000 1.164 369 D HN 0.421 nan 8.370 nan 0.000 0.462 370 V N 0.327 119.993 119.914 -0.414 0.000 2.994 370 V HA 0.403 4.521 4.120 -0.003 0.000 0.318 370 V C 0.039 175.584 176.094 -0.914 0.000 1.085 370 V CA -0.840 61.159 62.300 -0.501 0.000 0.998 370 V CB 2.090 33.807 31.823 -0.176 0.000 1.063 370 V HN 0.467 nan 8.190 nan 0.000 0.447 371 H N 2.720 121.584 119.070 -0.343 0.000 2.741 371 H HA 0.428 4.982 4.556 -0.003 0.000 0.261 371 H C -1.328 173.536 175.328 -0.773 0.000 1.365 371 H CA -0.040 55.498 56.048 -0.851 0.000 1.266 371 H CB -0.360 28.832 29.762 -0.951 0.000 1.485 371 H HN 0.806 nan 8.280 nan 0.000 0.529 372 Y N -0.314 119.993 120.300 0.011 0.000 2.740 372 Y HA -0.228 4.320 4.550 -0.003 0.000 0.042 372 Y C 0.253 176.125 175.900 -0.046 0.000 1.950 372 Y CA -0.583 57.542 58.100 0.042 0.000 1.238 372 Y CB -2.227 36.346 38.460 0.188 0.000 1.901 372 Y HN 0.619 nan 8.280 nan 0.000 0.287 373 Q N -1.254 118.484 119.800 -0.102 0.000 2.438 373 Q HA -0.133 4.205 4.340 -0.003 0.000 0.356 373 Q C -2.463 173.426 176.000 -0.186 0.000 1.438 373 Q CA 1.166 56.653 55.803 -0.527 0.000 0.973 373 Q CB -0.655 27.512 28.738 -0.952 0.000 1.151 373 Q HN 0.539 nan 8.270 nan 0.000 0.328 374 P HA 0.237 nan 4.420 nan 0.000 0.275 374 P C 0.397 177.858 177.300 0.269 0.000 1.227 374 P CA 0.372 63.539 63.100 0.111 0.000 0.781 374 P CB 1.652 33.403 31.700 0.086 0.000 0.906 375 G N 2.239 111.183 108.800 0.241 0.000 2.930 375 G HA2 0.140 4.098 3.960 -0.003 0.000 0.209 375 G HA3 0.140 4.098 3.960 -0.003 0.000 0.209 375 G C 0.067 175.156 174.900 0.316 0.000 2.018 375 G CA -0.019 45.261 45.100 0.299 0.000 0.751 375 G HN 0.543 nan 8.290 nan 0.000 0.770 376 H N 0.478 119.628 119.070 0.133 0.000 2.679 376 H HA 0.454 5.008 4.556 -0.003 0.000 0.369 376 H C -0.072 175.263 175.328 0.012 0.000 1.178 376 H CA 0.655 56.641 56.048 -0.104 0.000 1.419 376 H CB 1.242 30.866 29.762 -0.230 0.000 1.458 376 H HN 0.416 nan 8.280 nan 0.000 0.605 377 L N -0.287 121.030 121.223 0.156 0.000 2.466 377 L HA 0.722 5.060 4.340 -0.003 0.000 0.258 377 L C -1.253 175.654 176.870 0.062 0.000 0.973 377 L CA -1.073 53.825 54.840 0.096 0.000 0.826 377 L CB 2.532 44.662 42.059 0.118 0.000 1.372 377 L HN 0.312 nan 8.230 nan 0.000 0.409 378 K N 1.059 121.467 120.400 0.013 0.000 2.542 378 K HA 0.655 4.974 4.320 -0.003 0.000 0.259 378 K C -0.841 175.759 176.600 -0.001 0.000 0.932 378 K CA 0.003 56.298 56.287 0.014 0.000 0.820 378 K CB 2.299 34.793 32.500 -0.009 0.000 1.345 378 K HN 0.944 nan 8.250 nan 0.000 0.432 379 T N -0.841 113.723 114.554 0.016 0.000 2.927 379 T HA 0.486 4.834 4.350 -0.003 0.000 0.281 379 T C -0.138 174.582 174.700 0.034 0.000 0.998 379 T CA -0.904 61.195 62.100 -0.001 0.000 1.019 379 T CB 1.161 70.032 68.868 0.005 0.000 1.061 379 T HN 0.191 nan 8.240 nan 0.000 0.518 380 V N 3.549 123.457 119.914 -0.010 0.000 2.485 380 V HA 0.085 4.204 4.120 -0.003 0.000 0.287 380 V C 1.231 177.343 176.094 0.031 0.000 1.022 380 V CA 0.055 62.311 62.300 -0.072 0.000 1.067 380 V CB -0.617 30.983 31.823 -0.373 0.000 0.967 380 V HN 1.043 nan 8.190 nan 0.000 0.479 381 M N 2.915 122.596 119.600 0.136 0.000 2.503 381 M HA -0.217 4.261 4.480 -0.003 0.000 0.199 381 M C 1.469 177.837 176.300 0.114 0.000 0.466 381 M CA 0.996 56.392 55.300 0.160 0.000 0.510 381 M CB -1.510 31.164 32.600 0.123 0.000 1.858 381 M HN 0.843 nan 8.290 nan 0.000 0.799 382 G N 0.260 109.165 108.800 0.175 0.000 2.535 382 G HA2 -0.122 3.836 3.960 -0.003 0.000 0.218 382 G HA3 -0.122 3.836 3.960 -0.003 0.000 0.218 382 G C 0.957 176.058 174.900 0.335 0.000 1.122 382 G CA 0.846 46.089 45.100 0.239 0.000 0.769 382 G HN 0.710 nan 8.290 nan 0.000 0.549 383 E N -0.025 120.361 120.200 0.311 0.000 2.437 383 E HA 0.178 4.526 4.350 -0.003 0.000 0.195 383 E C 0.593 177.434 176.600 0.402 0.000 1.029 383 E CA -0.036 56.604 56.400 0.400 0.000 0.948 383 E CB 0.553 30.533 29.700 0.466 0.000 1.082 383 E HN 0.428 nan 8.360 nan 0.000 0.456 384 T N -3.925 110.784 114.554 0.258 0.000 2.838 384 T HA 0.335 4.683 4.350 -0.003 0.000 0.292 384 T C 0.725 175.587 174.700 0.271 0.000 1.113 384 T CA -0.803 61.459 62.100 0.270 0.000 1.008 384 T CB 0.795 69.509 68.868 -0.257 0.000 1.259 384 T HN -0.022 nan 8.240 nan 0.000 0.520 385 L N 0.200 121.583 121.223 0.266 0.000 2.456 385 L HA 0.097 4.435 4.340 -0.003 0.000 0.224 385 L C 1.296 178.207 176.870 0.068 0.000 1.148 385 L CA 0.795 55.698 54.840 0.106 0.000 0.825 385 L CB -0.342 41.785 42.059 0.113 0.000 0.937 385 L HN 0.666 nan 8.230 nan 0.000 0.450 386 D N 0.869 121.307 120.400 0.064 0.000 2.328 386 D HA 0.117 4.755 4.640 -0.003 0.000 0.226 386 D C 1.033 177.375 176.300 0.071 0.000 1.066 386 D CA 0.142 54.176 54.000 0.057 0.000 0.861 386 D CB 0.183 41.016 40.800 0.054 0.000 0.912 386 D HN 0.161 nan 8.370 nan 0.000 0.521 387 A N 1.434 124.303 122.820 0.080 0.000 2.591 387 A HA 0.157 4.475 4.320 -0.003 0.000 0.244 387 A C 1.238 178.872 177.584 0.082 0.000 1.031 387 A CA 0.401 52.497 52.037 0.098 0.000 0.767 387 A CB -0.105 18.978 19.000 0.137 0.000 0.942 387 A HN 0.244 nan 8.150 nan 0.000 0.514 388 T N 0.111 114.707 114.554 0.069 0.000 2.867 388 T HA 0.417 4.766 4.350 -0.003 0.000 0.286 388 T C 0.568 175.293 174.700 0.042 0.000 1.022 388 T CA -0.309 61.828 62.100 0.062 0.000 0.933 388 T CB 0.717 69.627 68.868 0.070 0.000 1.280 388 T HN 0.522 nan 8.240 nan 0.000 0.566 389 N N -0.036 118.675 118.700 0.019 0.000 2.160 389 N HA 0.127 4.866 4.740 -0.003 0.000 0.226 389 N C 0.237 175.693 175.510 -0.090 0.000 1.256 389 N CA 0.231 53.276 53.050 -0.008 0.000 0.890 389 N CB 0.508 39.000 38.487 0.008 0.000 1.116 389 N HN 0.754 nan 8.380 nan 0.000 0.517 390 D N -0.619 119.697 120.400 -0.139 0.000 2.320 390 D HA -0.038 4.600 4.640 -0.003 0.000 0.228 390 D C 0.278 176.256 176.300 -0.536 0.000 0.978 390 D CA 0.740 54.503 54.000 -0.395 0.000 0.905 390 D CB -0.269 40.263 40.800 -0.448 0.000 1.051 390 D HN 0.072 nan 8.370 nan 0.000 0.471 391 W N -0.216 121.065 121.300 -0.031 0.000 2.706 391 W HA 0.634 5.292 4.660 -0.003 0.000 0.346 391 W C -1.015 175.433 176.519 -0.117 0.000 1.071 391 W CA -1.359 55.955 57.345 -0.052 0.000 1.206 391 W CB 1.752 31.205 29.460 -0.011 0.000 1.413 391 W HN -0.084 nan 8.180 nan 0.000 0.542 392 L N 2.626 123.968 121.223 0.199 0.000 2.438 392 L HA 0.751 5.090 4.340 -0.003 0.000 0.270 392 L C -1.517 175.410 176.870 0.095 0.000 0.972 392 L CA -0.753 54.098 54.840 0.017 0.000 0.831 392 L CB 1.737 43.686 42.059 -0.185 0.000 1.273 392 L HN 0.232 nan 8.230 nan 0.000 0.405 393 V N 4.212 124.168 119.914 0.070 0.000 2.398 393 V HA 0.438 4.557 4.120 -0.003 0.000 0.286 393 V C -0.379 175.759 176.094 0.074 0.000 1.026 393 V CA -0.521 61.839 62.300 0.101 0.000 0.868 393 V CB 1.450 33.343 31.823 0.118 0.000 0.982 393 V HN 0.936 nan 8.190 nan 0.000 0.443 394 C N 7.311 126.674 119.300 0.105 0.000 2.298 394 C HA 0.728 5.186 4.460 -0.003 0.000 0.323 394 C C -0.378 174.680 174.990 0.114 0.000 1.284 394 C CA -0.640 58.437 59.018 0.099 0.000 1.577 394 C CB -0.194 27.601 27.740 0.092 0.000 2.249 394 C HN 0.778 nan 8.230 nan 0.000 0.497 395 L N 6.379 127.665 121.223 0.104 0.000 2.287 395 L HA 0.392 4.730 4.340 -0.003 0.000 0.280 395 L C 0.661 177.590 176.870 0.099 0.000 1.055 395 L CA 0.651 55.557 54.840 0.110 0.000 0.863 395 L CB 0.874 42.973 42.059 0.065 0.000 1.245 395 L HN 0.652 nan 8.230 nan 0.000 0.432 396 S N 1.717 117.471 115.700 0.090 0.000 2.669 396 S HA 0.423 4.891 4.470 -0.003 0.000 0.270 396 S C 1.005 175.618 174.600 0.022 0.000 1.225 396 S CA -0.775 57.459 58.200 0.057 0.000 0.991 396 S CB 1.270 64.496 63.200 0.043 0.000 0.987 396 S HN 0.427 nan 8.310 nan 0.000 0.552 397 K N 0.054 120.412 120.400 -0.070 0.000 2.354 397 K HA 0.279 4.597 4.320 -0.003 0.000 0.194 397 K C -0.740 175.723 176.600 -0.227 0.000 1.038 397 K CA 0.508 56.668 56.287 -0.213 0.000 1.052 397 K CB 0.116 32.409 32.500 -0.346 0.000 0.861 397 K HN 0.397 nan 8.250 nan 0.000 0.535 398 F N 0.135 120.176 119.950 0.151 0.000 2.563 398 F HA 0.195 4.720 4.527 -0.003 0.000 0.316 398 F C 1.269 177.234 175.800 0.276 0.000 1.076 398 F CA -1.246 56.863 58.000 0.182 0.000 0.921 398 F CB 1.949 41.047 39.000 0.162 0.000 1.209 398 F HN -0.159 nan 8.300 nan 0.000 0.462 399 S N -0.083 115.911 115.700 0.489 0.000 2.575 399 S HA 0.217 4.685 4.470 -0.003 0.000 0.230 399 S C 0.934 175.783 174.600 0.415 0.000 1.062 399 S CA 0.143 58.610 58.200 0.446 0.000 0.913 399 S CB 0.100 63.607 63.200 0.513 0.000 0.837 399 S HN 0.663 nan 8.310 nan 0.000 0.487 400 K N 1.680 122.257 120.400 0.295 0.000 2.158 400 K HA -0.285 4.033 4.320 -0.003 0.000 0.151 400 K C 0.522 177.195 176.600 0.122 0.000 0.850 400 K CA 2.268 58.630 56.287 0.125 0.000 0.360 400 K CB -1.604 30.856 32.500 -0.067 0.000 0.730 400 K HN 0.623 nan 8.250 nan 0.000 0.797 401 D N 1.061 121.523 120.400 0.105 0.000 2.328 401 D HA -0.028 4.610 4.640 -0.003 0.000 0.226 401 D C 1.261 177.550 176.300 -0.019 0.000 1.066 401 D CA 0.421 54.450 54.000 0.048 0.000 0.861 401 D CB 0.034 40.847 40.800 0.022 0.000 0.912 401 D HN 0.221 nan 8.370 nan 0.000 0.521 402 R N -0.490 119.959 120.500 -0.085 0.000 2.189 402 R HA 0.095 4.434 4.340 -0.003 0.000 0.218 402 R C -0.069 175.758 176.300 -0.788 0.000 1.074 402 R CA 0.600 56.400 56.100 -0.500 0.000 0.991 402 R CB -0.026 29.829 30.300 -0.742 0.000 0.883 402 R HN 0.232 nan 8.270 nan 0.000 0.457 403 F N -1.069 118.899 119.950 0.030 0.000 2.675 403 F HA 0.364 4.890 4.527 -0.003 0.000 0.324 403 F C 0.299 176.111 175.800 0.019 0.000 1.106 403 F CA -1.216 56.793 58.000 0.014 0.000 0.970 403 F CB 0.522 39.535 39.000 0.022 0.000 1.385 403 F HN -0.338 nan 8.300 nan 0.000 0.489 404 L N 1.797 123.157 121.223 0.228 0.000 2.525 404 L HA 0.018 4.356 4.340 -0.003 0.000 0.278 404 L C 0.330 177.276 176.870 0.127 0.000 1.218 404 L CA -0.067 54.848 54.840 0.126 0.000 0.878 404 L CB -0.040 42.074 42.059 0.091 0.000 1.127 404 L HN 0.527 nan 8.230 nan 0.000 0.492 405 N N 2.229 120.982 118.700 0.089 0.000 2.440 405 N HA 0.035 4.773 4.740 -0.003 0.000 0.265 405 N C 0.350 175.902 175.510 0.070 0.000 1.239 405 N CA -0.133 52.965 53.050 0.080 0.000 0.909 405 N CB 1.087 39.606 38.487 0.053 0.000 1.066 405 N HN 0.398 nan 8.380 nan 0.000 0.474 406 V N 1.030 120.991 119.914 0.077 0.000 3.483 406 V HA 0.626 4.745 4.120 -0.003 0.000 0.301 406 V C 0.999 177.129 176.094 0.060 0.000 1.389 406 V CA 0.236 62.573 62.300 0.062 0.000 1.101 406 V CB -0.761 31.100 31.823 0.063 0.000 0.971 406 V HN 0.820 nan 8.190 nan 0.000 0.434 407 G N 0.642 109.478 108.800 0.059 0.000 2.373 407 G HA2 -0.029 3.929 3.960 -0.003 0.000 0.634 407 G HA3 -0.029 3.929 3.960 -0.003 0.000 0.634 407 G C -2.204 172.731 174.900 0.058 0.000 1.267 407 G CA -0.190 44.942 45.100 0.053 0.000 1.008 407 G HN 0.153 nan 8.290 nan 0.000 0.497 408 P HA 0.081 nan 4.420 nan 0.000 0.221 408 P C 0.925 178.266 177.300 0.068 0.000 1.145 408 P CA 0.709 63.840 63.100 0.051 0.000 0.795 408 P CB 0.208 31.935 31.700 0.045 0.000 0.775 409 L N -0.001 121.272 121.223 0.084 0.000 2.280 409 L HA 0.307 4.646 4.340 -0.003 0.000 0.287 409 L C -0.076 176.863 176.870 0.116 0.000 1.023 409 L CA -0.523 54.378 54.840 0.102 0.000 0.819 409 L CB 0.977 43.108 42.059 0.121 0.000 1.212 409 L HN -0.145 nan 8.230 nan 0.000 0.420 410 K N 5.528 126.002 120.400 0.123 0.000 2.221 410 K HA 0.599 4.918 4.320 -0.003 0.000 0.243 410 K C -2.385 174.298 176.600 0.138 0.000 0.968 410 K CA -1.667 54.706 56.287 0.143 0.000 0.846 410 K CB 1.718 34.319 32.500 0.168 0.000 1.141 410 K HN 0.418 nan 8.250 nan 0.000 0.434 411 P HA 0.071 nan 4.420 nan 0.000 0.274 411 P C -0.783 176.600 177.300 0.138 0.000 1.246 411 P CA -0.213 62.940 63.100 0.089 0.000 0.795 411 P CB 0.658 32.334 31.700 -0.040 0.000 1.006 412 E N 0.657 120.917 120.200 0.099 0.000 2.312 412 E HA 0.255 4.604 4.350 -0.003 0.000 0.259 412 E C -0.097 176.625 176.600 0.203 0.000 1.122 412 E CA -0.407 56.072 56.400 0.131 0.000 0.922 412 E CB 0.200 29.942 29.700 0.071 0.000 1.109 412 E HN 0.349 nan 8.360 nan 0.000 0.442 413 N N 1.457 120.294 118.700 0.228 0.000 2.573 413 N HA 0.133 4.871 4.740 -0.003 0.000 0.262 413 N C -1.763 173.875 175.510 0.213 0.000 1.029 413 N CA -0.399 52.823 53.050 0.288 0.000 0.882 413 N CB 0.558 39.220 38.487 0.291 0.000 1.204 413 N HN 0.099 nan 8.380 nan 0.000 0.519 414 D N 2.269 122.811 120.400 0.237 0.000 2.396 414 D HA 0.196 4.835 4.640 -0.003 0.000 0.225 414 D C -0.140 176.307 176.300 0.245 0.000 1.121 414 D CA 0.020 54.175 54.000 0.258 0.000 0.853 414 D CB 1.008 42.044 40.800 0.393 0.000 1.043 414 D HN 0.440 nan 8.370 nan 0.000 0.500 415 Q N 1.079 120.995 119.800 0.194 0.000 2.241 415 Q HA 0.435 4.773 4.340 -0.003 0.000 0.254 415 Q C -0.490 175.618 176.000 0.180 0.000 0.917 415 Q CA -0.987 54.921 55.803 0.175 0.000 0.919 415 Q CB 2.311 31.125 28.738 0.125 0.000 1.237 415 Q HN 0.308 nan 8.270 nan 0.000 0.434 416 L N 3.776 125.113 121.223 0.190 0.000 2.276 416 L HA 0.469 4.807 4.340 -0.003 0.000 0.286 416 L C -1.288 175.712 176.870 0.216 0.000 1.061 416 L CA 0.133 55.065 54.840 0.153 0.000 0.807 416 L CB 0.679 42.743 42.059 0.009 0.000 1.177 416 L HN 0.540 nan 8.230 nan 0.000 0.429 417 I N 4.257 124.986 120.570 0.265 0.000 2.465 417 I HA 0.288 4.456 4.170 -0.003 0.000 0.291 417 I C -0.772 175.553 176.117 0.347 0.000 1.014 417 I CA -0.759 60.696 61.300 0.258 0.000 1.093 417 I CB 1.847 39.934 38.000 0.144 0.000 1.267 417 I HN 0.513 nan 8.210 nan 0.000 0.431 418 D N 7.132 127.693 120.400 0.268 0.000 2.325 418 D HA 0.216 4.855 4.640 -0.003 0.000 0.251 418 D C 0.471 176.747 176.300 -0.040 0.000 1.196 418 D CA -0.155 53.848 54.000 0.005 0.000 0.866 418 D CB 1.010 41.781 40.800 -0.050 0.000 1.101 418 D HN 0.547 nan 8.370 nan 0.000 0.476 419 I N 1.064 121.565 120.570 -0.115 0.000 3.927 419 I HA 0.130 4.298 4.170 -0.003 0.000 0.332 419 I C 1.364 177.451 176.117 -0.049 0.000 1.485 419 I CA -0.408 60.857 61.300 -0.058 0.000 1.131 419 I CB 0.175 38.066 38.000 -0.182 0.000 1.092 419 I HN 0.165 nan 8.210 nan 0.000 0.410 420 S N 0.773 116.396 115.700 -0.128 0.000 2.423 420 S HA 0.111 4.580 4.470 -0.003 0.000 0.231 420 S C 1.233 175.810 174.600 -0.038 0.000 1.014 420 S CA 0.513 58.650 58.200 -0.105 0.000 0.965 420 S CB -0.724 62.370 63.200 -0.176 0.000 0.785 420 S HN 0.571 nan 8.310 nan 0.000 0.495 421 G N 0.391 109.180 108.800 -0.019 0.000 2.568 421 G HA2 0.426 4.384 3.960 -0.003 0.000 0.293 421 G HA3 0.426 4.384 3.960 -0.003 0.000 0.293 421 G C -0.231 174.691 174.900 0.036 0.000 1.347 421 G CA -0.255 44.849 45.100 0.007 0.000 1.039 421 G HN 0.106 nan 8.290 nan 0.000 0.523 422 D N -0.490 119.930 120.400 0.034 0.000 2.144 422 D HA 0.022 4.660 4.640 -0.003 0.000 0.200 422 D C 0.736 177.070 176.300 0.056 0.000 0.978 422 D CA 1.118 55.143 54.000 0.042 0.000 0.833 422 D CB 0.239 41.057 40.800 0.031 0.000 0.961 422 D HN 0.026 nan 8.370 nan 0.000 0.470 423 K N 0.401 120.834 120.400 0.055 0.000 2.207 423 K HA 0.387 4.705 4.320 -0.003 0.000 0.255 423 K C 0.171 176.818 176.600 0.079 0.000 0.941 423 K CA -0.462 55.865 56.287 0.067 0.000 0.825 423 K CB 2.008 34.540 32.500 0.053 0.000 1.119 423 K HN 0.000 nan 8.250 nan 0.000 0.430 424 M N 1.410 121.072 119.600 0.103 0.000 2.242 424 M HA 0.227 4.706 4.480 -0.003 0.000 0.344 424 M C -0.162 176.192 176.300 0.090 0.000 1.140 424 M CA -0.552 54.814 55.300 0.110 0.000 1.160 424 M CB 0.829 33.517 32.600 0.147 0.000 1.491 424 M HN 0.057 nan 8.290 nan 0.000 0.459 425 V N 3.690 123.659 119.914 0.092 0.000 2.525 425 V HA 0.285 4.403 4.120 -0.003 0.000 0.299 425 V C -0.696 175.475 176.094 0.129 0.000 1.034 425 V CA -0.923 61.435 62.300 0.097 0.000 0.863 425 V CB 1.715 33.589 31.823 0.084 0.000 0.999 425 V HN 0.638 nan 8.190 nan 0.000 0.423 426 L N 5.884 127.179 121.223 0.119 0.000 2.418 426 L HA 0.336 4.674 4.340 -0.003 0.000 0.274 426 L C 0.594 177.548 176.870 0.141 0.000 1.135 426 L CA 0.981 55.900 54.840 0.132 0.000 0.870 426 L CB 1.267 43.396 42.059 0.117 0.000 1.154 426 L HN 0.477 nan 8.230 nan 0.000 0.462 427 V N 4.566 124.589 119.914 0.183 0.000 3.151 427 V HA 0.211 4.330 4.120 -0.003 0.000 0.241 427 V C 0.272 176.487 176.094 0.201 0.000 1.173 427 V CA 0.289 62.709 62.300 0.200 0.000 1.154 427 V CB -0.171 31.830 31.823 0.297 0.000 0.898 427 V HN 0.875 nan 8.190 nan 0.000 0.473 428 H N 0.013 119.120 119.070 0.062 0.000 3.046 428 H HA 0.409 4.964 4.556 -0.003 0.000 0.363 428 H C -1.942 173.425 175.328 0.065 0.000 1.203 428 H CA -0.494 55.578 56.048 0.039 0.000 1.169 428 H CB 2.446 32.204 29.762 -0.007 0.000 1.851 428 H HN 0.149 nan 8.280 nan 0.000 0.546 429 D N 1.915 122.004 120.400 -0.519 0.000 2.303 429 D HA 0.361 4.999 4.640 -0.003 0.000 0.236 429 D C -0.087 176.091 176.300 -0.203 0.000 1.068 429 D CA -0.053 53.827 54.000 -0.200 0.000 0.830 429 D CB 1.691 42.383 40.800 -0.180 0.000 1.109 429 D HN 0.647 nan 8.370 nan 0.000 0.496 430 G N 2.891 111.788 108.800 0.161 0.000 2.522 430 G HA2 0.464 4.422 3.960 -0.003 0.000 0.318 430 G HA3 0.464 4.422 3.960 -0.003 0.000 0.318 430 G C -2.644 172.321 174.900 0.108 0.000 1.192 430 G CA -1.398 43.824 45.100 0.203 0.000 0.988 430 G HN 0.182 nan 8.290 nan 0.000 0.480 431 P HA 0.259 nan 4.420 nan 0.000 0.276 431 P C -0.173 177.030 177.300 -0.161 0.000 1.230 431 P CA 0.090 62.919 63.100 -0.451 0.000 0.776 431 P CB 1.450 32.466 31.700 -1.140 0.000 0.888 432 T N 0.124 114.652 114.554 -0.043 0.000 2.916 432 T HA 0.468 4.817 4.350 -0.003 0.000 0.305 432 T C -0.657 174.102 174.700 0.098 0.000 1.119 432 T CA -0.771 61.350 62.100 0.035 0.000 1.008 432 T CB 0.883 69.806 68.868 0.092 0.000 1.129 432 T HN 0.151 nan 8.240 nan 0.000 0.480 433 F N 3.234 123.180 119.950 -0.007 0.000 2.418 433 F HA 0.525 5.050 4.527 -0.003 0.000 0.341 433 F C 1.147 176.977 175.800 0.049 0.000 1.120 433 F CA -0.298 57.712 58.000 0.016 0.000 1.232 433 F CB 0.120 39.127 39.000 0.011 0.000 1.175 433 F HN 1.148 nan 8.300 nan 0.000 0.569 434 A N 4.885 126.962 122.820 -1.238 0.000 1.624 434 A HA -0.212 4.106 4.320 -0.003 0.000 0.310 434 A C 0.683 178.017 177.584 -0.417 0.000 1.077 434 A CA 1.342 52.792 52.037 -0.978 0.000 1.314 434 A CB -1.793 16.294 19.000 -1.521 0.000 0.857 434 A HN 0.923 nan 8.150 nan 0.000 0.237 435 E N -0.920 119.141 120.200 -0.231 0.000 2.513 435 E HA -0.184 4.165 4.350 -0.003 0.000 0.156 435 E C -2.339 174.210 176.600 -0.085 0.000 1.740 435 E CA 0.538 56.849 56.400 -0.149 0.000 0.646 435 E CB -0.760 28.819 29.700 -0.202 0.000 1.080 435 E HN 0.598 nan 8.360 nan 0.000 0.345 436 P HA 0.082 nan 4.420 nan 0.000 0.274 436 P C 0.116 177.374 177.300 -0.071 0.000 1.231 436 P CA -0.128 63.026 63.100 0.090 0.000 0.790 436 P CB 0.724 32.586 31.700 0.270 0.000 0.951 437 H N -0.421 118.601 119.070 -0.079 0.000 2.570 437 H HA 0.188 4.742 4.556 -0.003 0.000 0.268 437 H C -0.051 175.160 175.328 -0.195 0.000 1.175 437 H CA 0.437 56.470 56.048 -0.024 0.000 1.686 437 H CB 0.093 29.831 29.762 -0.040 0.000 1.456 437 H HN 0.409 nan 8.280 nan 0.000 0.592 438 D N -0.112 120.074 120.400 -0.357 0.000 2.440 438 D HA 0.595 5.233 4.640 -0.003 0.000 0.258 438 D C -0.914 175.099 176.300 -0.479 0.000 1.092 438 D CA -0.413 53.221 54.000 -0.609 0.000 1.016 438 D CB 1.819 42.120 40.800 -0.831 0.000 1.141 438 D HN 0.529 nan 8.370 nan 0.000 0.552 439 A N 0.163 122.684 122.820 -0.498 0.000 2.601 439 A HA 0.654 4.972 4.320 -0.003 0.000 0.291 439 A C -1.271 176.118 177.584 -0.325 0.000 1.075 439 A CA -0.660 51.020 52.037 -0.595 0.000 0.671 439 A CB 0.663 18.778 19.000 -1.475 0.000 1.277 439 A HN 0.579 nan 8.150 nan 0.000 0.417 440 I N -2.561 117.917 120.570 -0.154 0.000 3.174 440 I HA 0.987 5.155 4.170 -0.003 0.000 0.313 440 I C -0.279 175.912 176.117 0.124 0.000 1.155 440 I CA -1.253 60.074 61.300 0.045 0.000 0.977 440 I CB 2.248 40.335 38.000 0.144 0.000 1.248 440 I HN 1.189 nan 8.210 nan 0.000 0.453 441 A N 2.555 125.482 122.820 0.177 0.000 2.449 441 A HA 0.854 5.173 4.320 -0.003 0.000 0.302 441 A C -1.261 176.476 177.584 0.256 0.000 1.048 441 A CA -0.605 51.532 52.037 0.167 0.000 0.708 441 A CB 1.906 20.935 19.000 0.048 0.000 1.274 441 A HN 0.594 nan 8.150 nan 0.000 0.410 442 V N 2.643 122.748 119.914 0.318 0.000 2.709 442 V HA 0.346 4.464 4.120 -0.003 0.000 0.308 442 V C -0.141 176.261 176.094 0.514 0.000 1.062 442 V CA -0.766 61.779 62.300 0.408 0.000 0.901 442 V CB 1.757 33.782 31.823 0.337 0.000 1.003 442 V HN 1.001 nan 8.190 nan 0.000 0.425 443 H N 5.754 125.106 119.070 0.471 0.000 2.848 443 H HA 0.146 4.700 4.556 -0.003 0.000 0.341 443 H C -1.911 173.601 175.328 0.308 0.000 1.060 443 H CA -1.156 55.154 56.048 0.435 0.000 1.444 443 H CB 2.145 32.109 29.762 0.338 0.000 1.446 443 H HN 0.343 nan 8.280 nan 0.000 0.583 444 P HA -0.195 nan 4.420 nan 0.000 0.217 444 P C 1.603 179.020 177.300 0.196 0.000 1.148 444 P CA 2.071 65.262 63.100 0.150 0.000 0.828 444 P CB 0.112 31.783 31.700 -0.048 0.000 0.783 445 S N -0.874 115.052 115.700 0.377 0.000 2.400 445 S HA -0.169 4.299 4.470 -0.003 0.000 0.232 445 S C 1.892 176.591 174.600 0.165 0.000 1.025 445 S CA 1.189 59.556 58.200 0.279 0.000 0.993 445 S CB -1.627 61.751 63.200 0.297 0.000 0.808 445 S HN 0.126 nan 8.310 nan 0.000 0.478 446 I N 0.602 121.285 120.570 0.188 0.000 2.546 446 I HA 0.051 4.219 4.170 -0.003 0.000 0.255 446 I C 1.398 177.515 176.117 -0.000 0.000 1.163 446 I CA 0.969 62.325 61.300 0.093 0.000 1.457 446 I CB -0.163 37.918 38.000 0.135 0.000 1.092 446 I HN 0.269 nan 8.210 nan 0.000 0.434 447 L N 0.221 121.436 121.223 -0.013 0.000 2.872 447 L HA 0.117 4.455 4.340 -0.003 0.000 0.245 447 L C 2.184 179.002 176.870 -0.086 0.000 1.211 447 L CA -0.085 54.675 54.840 -0.134 0.000 1.013 447 L CB -0.043 41.810 42.059 -0.342 0.000 1.326 447 L HN 0.193 nan 8.230 nan 0.000 0.525 448 S N -0.933 114.754 115.700 -0.022 0.000 2.380 448 S HA -0.227 4.241 4.470 -0.003 0.000 0.229 448 S C 1.036 175.611 174.600 -0.043 0.000 1.043 448 S CA 1.486 59.681 58.200 -0.009 0.000 1.038 448 S CB -0.309 62.893 63.200 0.004 0.000 0.872 448 S HN 0.410 nan 8.310 nan 0.000 0.456 449 D N 1.607 121.960 120.400 -0.078 0.000 2.519 449 D HA 0.330 4.968 4.640 -0.003 0.000 0.238 449 D C -0.056 176.165 176.300 -0.131 0.000 1.192 449 D CA -0.019 53.923 54.000 -0.097 0.000 0.835 449 D CB -0.400 40.336 40.800 -0.107 0.000 0.975 449 D HN 0.509 nan 8.370 nan 0.000 0.490 450 I N 1.168 121.661 120.570 -0.128 0.000 2.471 450 I HA -0.010 4.158 4.170 -0.003 0.000 0.286 450 I C 1.077 177.113 176.117 -0.136 0.000 1.079 450 I CA -0.194 61.012 61.300 -0.156 0.000 1.398 450 I CB 0.688 38.604 38.000 -0.140 0.000 1.403 450 I HN -0.350 nan 8.210 nan 0.000 0.530 451 K N 3.880 124.171 120.400 -0.182 0.000 2.276 451 K HA 0.141 4.460 4.320 -0.003 0.000 0.259 451 K C 0.753 177.263 176.600 -0.150 0.000 1.001 451 K CA -0.236 55.949 56.287 -0.171 0.000 0.927 451 K CB 0.715 33.072 32.500 -0.239 0.000 0.969 451 K HN 0.537 nan 8.250 nan 0.000 0.490 452 S N -0.074 115.564 115.700 -0.102 0.000 2.475 452 S HA 0.020 4.488 4.470 -0.003 0.000 0.224 452 S C 0.399 174.963 174.600 -0.060 0.000 1.042 452 S CA -0.087 58.073 58.200 -0.066 0.000 0.935 452 S CB 0.348 63.530 63.200 -0.031 0.000 0.801 452 S HN 0.547 nan 8.310 nan 0.000 0.509 453 V N -2.397 117.485 119.914 -0.054 0.000 3.130 453 V HA 0.713 4.831 4.120 -0.003 0.000 0.310 453 V C -1.613 174.492 176.094 0.018 0.000 1.158 453 V CA -1.649 60.667 62.300 0.026 0.000 1.029 453 V CB 0.808 32.684 31.823 0.089 0.000 1.057 453 V HN 0.333 nan 8.190 nan 0.000 0.436 454 W N 0.340 121.687 121.300 0.078 0.000 2.161 454 W HA 0.499 5.157 4.660 -0.003 0.000 0.344 454 W C 0.482 177.084 176.519 0.138 0.000 1.262 454 W CA 0.488 57.917 57.345 0.140 0.000 1.270 454 W CB 0.328 29.969 29.460 0.301 0.000 1.126 454 W HN 0.792 nan 8.180 nan 0.000 0.598 455 D N 1.558 122.192 120.400 0.392 0.000 2.256 455 D HA 0.090 4.728 4.640 -0.003 0.000 0.250 455 D C 1.230 177.749 176.300 0.365 0.000 1.093 455 D CA -0.194 53.954 54.000 0.247 0.000 0.882 455 D CB 1.145 42.015 40.800 0.117 0.000 1.185 455 D HN 0.203 nan 8.370 nan 0.000 0.437 456 R N 3.027 123.707 120.500 0.300 0.000 2.152 456 R HA -0.106 4.232 4.340 -0.003 0.000 0.232 456 R C 0.542 177.070 176.300 0.380 0.000 1.117 456 R CA 0.890 57.213 56.100 0.372 0.000 0.981 456 R CB -0.498 29.934 30.300 0.220 0.000 0.870 456 R HN 0.511 nan 8.270 nan 0.000 0.451 457 N N 1.062 119.858 118.700 0.159 0.000 2.327 457 N HA -0.009 4.729 4.740 -0.003 0.000 0.231 457 N C -0.506 174.886 175.510 -0.196 0.000 1.130 457 N CA -0.084 52.979 53.050 0.022 0.000 0.845 457 N CB 0.280 38.776 38.487 0.014 0.000 1.073 457 N HN 0.074 nan 8.380 nan 0.000 0.496 458 D N 0.763 120.922 120.400 -0.402 0.000 2.455 458 D HA -0.006 4.632 4.640 -0.003 0.000 0.241 458 D C -1.469 174.340 176.300 -0.820 0.000 1.138 458 D CA -1.389 52.236 54.000 -0.626 0.000 0.877 458 D CB 1.409 41.749 40.800 -0.765 0.000 1.187 458 D HN 0.074 nan 8.370 nan 0.000 0.451 459 P HA -0.112 nan 4.420 nan 0.000 0.221 459 P C 1.728 178.843 177.300 -0.309 0.000 1.145 459 P CA 0.716 63.637 63.100 -0.299 0.000 0.795 459 P CB 0.167 31.780 31.700 -0.145 0.000 0.775 460 M N -1.836 117.533 119.600 -0.385 0.000 2.143 460 M HA -0.154 4.324 4.480 -0.003 0.000 0.258 460 M C 1.049 177.334 176.300 -0.026 0.000 1.071 460 M CA 1.809 57.011 55.300 -0.162 0.000 1.088 460 M CB -1.264 31.283 32.600 -0.088 0.000 1.360 460 M HN 0.236 nan 8.290 nan 0.000 0.404 461 W N -1.993 119.276 121.300 -0.052 0.000 2.570 461 W HA 0.695 5.353 4.660 -0.003 0.000 0.410 461 W C 1.309 177.806 176.519 -0.038 0.000 0.889 461 W CA -0.087 57.219 57.345 -0.066 0.000 2.386 461 W CB -1.354 28.042 29.460 -0.107 0.000 1.228 461 W HN 0.028 nan 8.180 nan 0.000 0.692 462 A N 0.946 123.734 122.820 -0.052 0.000 1.908 462 A HA -0.248 4.071 4.320 -0.003 0.000 0.218 462 A C 1.983 179.588 177.584 0.036 0.000 1.181 462 A CA 2.120 54.139 52.037 -0.031 0.000 0.627 462 A CB -0.447 18.513 19.000 -0.068 0.000 0.818 462 A HN 0.506 nan 8.150 nan 0.000 0.445 463 E N -0.998 119.224 120.200 0.036 0.000 2.110 463 E HA -0.125 4.224 4.350 -0.003 0.000 0.193 463 E C 2.094 178.725 176.600 0.051 0.000 0.988 463 E CA 1.558 57.977 56.400 0.032 0.000 0.804 463 E CB -0.243 29.468 29.700 0.017 0.000 0.745 463 E HN 0.657 nan 8.360 nan 0.000 0.458 464 T N 0.740 115.344 114.554 0.084 0.000 2.788 464 T HA -0.184 4.164 4.350 -0.003 0.000 0.268 464 T C 1.827 176.595 174.700 0.114 0.000 1.044 464 T CA 1.333 63.482 62.100 0.082 0.000 1.139 464 T CB -0.163 68.757 68.868 0.087 0.000 0.867 464 T HN 0.144 nan 8.240 nan 0.000 0.454 465 R N 1.099 121.689 120.500 0.150 0.000 2.075 465 R HA 0.027 4.365 4.340 -0.003 0.000 0.232 465 R C 2.582 178.921 176.300 0.065 0.000 1.126 465 R CA 1.312 57.490 56.100 0.129 0.000 0.963 465 R CB -0.451 29.949 30.300 0.167 0.000 0.858 465 R HN 0.355 nan 8.270 nan 0.000 0.435 466 A N 0.507 123.357 122.820 0.050 0.000 1.902 466 A HA -0.223 4.096 4.320 -0.003 0.000 0.217 466 A C 2.074 179.671 177.584 0.021 0.000 1.181 466 A CA 1.561 53.613 52.037 0.025 0.000 0.623 466 A CB -0.555 18.454 19.000 0.016 0.000 0.818 466 A HN 0.464 nan 8.150 nan 0.000 0.443 467 Q N -0.081 119.741 119.800 0.037 0.000 2.167 467 Q HA 0.040 4.379 4.340 -0.003 0.000 0.202 467 Q C 1.946 177.982 176.000 0.061 0.000 0.970 467 Q CA 1.901 57.730 55.803 0.043 0.000 0.855 467 Q CB -0.586 28.180 28.738 0.046 0.000 0.911 467 Q HN 0.538 nan 8.270 nan 0.000 0.438 468 A N 0.522 123.383 122.820 0.068 0.000 1.902 468 A HA -0.170 4.148 4.320 -0.003 0.000 0.217 468 A C 1.953 179.462 177.584 -0.124 0.000 1.181 468 A CA 1.571 53.575 52.037 -0.055 0.000 0.623 468 A CB -0.549 18.415 19.000 -0.059 0.000 0.818 468 A HN 0.403 nan 8.150 nan 0.000 0.443 469 E N 0.001 120.166 120.200 -0.058 0.000 2.110 469 E HA -0.143 4.205 4.350 -0.003 0.000 0.193 469 E C 2.309 178.878 176.600 -0.052 0.000 0.988 469 E CA 1.209 57.576 56.400 -0.056 0.000 0.804 469 E CB -0.563 29.122 29.700 -0.026 0.000 0.745 469 E HN 0.582 nan 8.360 nan 0.000 0.458 470 A N 1.613 124.413 122.820 -0.032 0.000 1.972 470 A HA -0.166 4.152 4.320 -0.003 0.000 0.219 470 A C 1.541 179.104 177.584 -0.035 0.000 1.169 470 A CA 1.540 53.562 52.037 -0.025 0.000 0.635 470 A CB -0.177 18.818 19.000 -0.010 0.000 0.810 470 A HN 0.025 nan 8.150 nan 0.000 0.446 471 D N -1.191 119.178 120.400 -0.053 0.000 2.340 471 D HA 0.244 4.882 4.640 -0.003 0.000 0.220 471 D C 1.322 177.552 176.300 -0.116 0.000 1.039 471 D CA 1.014 54.973 54.000 -0.069 0.000 0.866 471 D CB -0.069 40.697 40.800 -0.057 0.000 0.913 471 D HN 0.571 nan 8.370 nan 0.000 0.523 472 G N 0.532 109.262 108.800 -0.117 0.000 2.176 472 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.252 472 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.252 472 G C 0.197 174.997 174.900 -0.168 0.000 1.024 472 G CA 0.253 45.286 45.100 -0.113 0.000 0.755 472 G HN 0.281 nan 8.290 nan 0.000 0.507 473 V N 0.473 120.224 119.914 -0.272 0.000 2.435 473 V HA 0.516 4.635 4.120 -0.003 0.000 0.290 473 V C -0.019 175.908 176.094 -0.278 0.000 1.030 473 V CA -0.479 61.593 62.300 -0.381 0.000 0.881 473 V CB 1.913 33.212 31.823 -0.872 0.000 0.983 473 V HN 0.350 nan 8.190 nan 0.000 0.445 474 D N 4.138 124.427 120.400 -0.186 0.000 2.456 474 D HA 0.240 4.879 4.640 -0.003 0.000 0.219 474 D C 1.155 177.394 176.300 -0.102 0.000 1.126 474 D CA -0.474 53.461 54.000 -0.108 0.000 0.890 474 D CB 0.800 41.567 40.800 -0.055 0.000 1.025 474 D HN 0.561 nan 8.370 nan 0.000 0.511 475 I N -0.148 120.363 120.570 -0.098 0.000 2.916 475 I HA -0.008 4.161 4.170 -0.003 0.000 0.267 475 I C 0.399 176.492 176.117 -0.040 0.000 1.263 475 I CA 0.563 61.818 61.300 -0.076 0.000 1.471 475 I CB 0.123 38.091 38.000 -0.053 0.000 1.089 475 I HN 0.048 nan 8.210 nan 0.000 0.468 476 D N 1.254 121.651 120.400 -0.006 0.000 2.355 476 D HA 0.000 4.638 4.640 -0.003 0.000 0.218 476 D C 1.195 177.515 176.300 0.033 0.000 1.004 476 D CA 0.429 54.442 54.000 0.023 0.000 0.880 476 D CB 0.140 40.965 40.800 0.042 0.000 0.911 476 D HN 0.568 nan 8.370 nan 0.000 0.528 477 N N -0.090 118.628 118.700 0.030 0.000 3.502 477 N HA 0.082 4.820 4.740 -0.003 0.000 0.226 477 N C 0.415 175.994 175.510 0.115 0.000 1.133 477 N CA 0.095 53.194 53.050 0.082 0.000 1.143 477 N CB 0.859 39.391 38.487 0.075 0.000 1.346 477 N HN -0.010 nan 8.380 nan 0.000 0.720 478 E N 0.365 120.484 120.200 -0.135 0.000 2.794 478 E HA 0.140 4.488 4.350 -0.003 0.000 0.203 478 E C -0.950 175.621 176.600 -0.048 0.000 0.953 478 E CA -0.087 56.254 56.400 -0.098 0.000 1.284 478 E CB 1.326 31.035 29.700 0.015 0.000 1.077 478 E HN 0.151 nan 8.360 nan 0.000 0.508 479 E N 1.428 121.607 120.200 -0.034 0.000 2.415 479 E HA 0.083 4.432 4.350 -0.003 0.000 0.263 479 E C -0.257 176.356 176.600 0.021 0.000 0.995 479 E CA 0.219 56.614 56.400 -0.007 0.000 0.915 479 E CB 1.641 31.311 29.700 -0.049 0.000 0.951 479 E HN -0.098 nan 8.360 nan 0.000 0.449 480 V N 5.386 125.295 119.914 -0.009 0.000 2.378 480 V HA 0.258 4.376 4.120 -0.003 0.000 0.288 480 V C 0.028 176.115 176.094 -0.011 0.000 1.016 480 V CA -0.727 61.544 62.300 -0.049 0.000 0.840 480 V CB 1.289 33.079 31.823 -0.056 0.000 0.994 480 V HN 0.447 nan 8.190 nan 0.000 0.431 481 I N 5.318 125.887 120.570 -0.002 0.000 2.412 481 I HA 0.577 4.745 4.170 -0.003 0.000 0.296 481 I C 0.188 176.288 176.117 -0.028 0.000 0.987 481 I CA -0.540 60.764 61.300 0.008 0.000 1.180 481 I CB 1.806 39.847 38.000 0.069 0.000 1.340 481 I HN 0.548 nan 8.210 nan 0.000 0.455 482 R N 3.250 123.738 120.500 -0.020 0.000 2.534 482 R HA 0.483 4.821 4.340 -0.003 0.000 0.301 482 R C -1.177 175.109 176.300 -0.022 0.000 0.961 482 R CA -0.753 55.331 56.100 -0.026 0.000 0.871 482 R CB 2.136 32.427 30.300 -0.015 0.000 1.170 482 R HN 0.439 nan 8.270 nan 0.000 0.446 483 D N 2.242 122.625 120.400 -0.029 0.000 2.346 483 D HA 0.318 4.956 4.640 -0.003 0.000 0.255 483 D C 0.712 176.996 176.300 -0.027 0.000 1.276 483 D CA 0.597 54.582 54.000 -0.025 0.000 0.941 483 D CB 0.971 41.755 40.800 -0.027 0.000 1.199 483 D HN 0.686 nan 8.370 nan 0.000 0.537 484 G N 4.325 113.113 108.800 -0.020 0.000 2.561 484 G HA2 -0.380 3.578 3.960 -0.003 0.000 0.289 484 G HA3 -0.380 3.578 3.960 -0.003 0.000 0.289 484 G C 0.805 175.693 174.900 -0.020 0.000 1.169 484 G CA 0.346 45.435 45.100 -0.018 0.000 0.980 484 G HN 0.557 nan 8.290 nan 0.000 0.550 485 N N 1.258 119.944 118.700 -0.024 0.000 2.322 485 N HA 0.201 4.939 4.740 -0.003 0.000 0.194 485 N C 0.274 175.759 175.510 -0.042 0.000 1.126 485 N CA 0.183 53.218 53.050 -0.025 0.000 0.845 485 N CB 0.237 38.711 38.487 -0.020 0.000 0.976 485 N HN 0.353 nan 8.380 nan 0.000 0.475 486 K N 1.054 121.423 120.400 -0.052 0.000 2.156 486 K HA 0.469 4.787 4.320 -0.003 0.000 0.271 486 K C -0.983 175.564 176.600 -0.087 0.000 0.995 486 K CA -0.496 55.743 56.287 -0.079 0.000 0.890 486 K CB 2.400 34.853 32.500 -0.078 0.000 1.073 486 K HN -0.212 nan 8.250 nan 0.000 0.454 487 V N 3.404 123.240 119.914 -0.129 0.000 2.638 487 V HA 0.399 4.517 4.120 -0.003 0.000 0.306 487 V C -0.565 175.390 176.094 -0.232 0.000 1.052 487 V CA -0.946 61.269 62.300 -0.141 0.000 0.885 487 V CB 1.814 33.573 31.823 -0.107 0.000 0.999 487 V HN 0.701 nan 8.190 nan 0.000 0.424 488 R N 2.972 123.331 120.500 -0.235 0.000 2.360 488 R HA 0.669 5.008 4.340 -0.003 0.000 0.318 488 R C -1.347 174.673 176.300 -0.466 0.000 0.950 488 R CA -0.573 55.297 56.100 -0.383 0.000 0.837 488 R CB 2.176 32.295 30.300 -0.303 0.000 1.165 488 R HN 0.533 nan 8.270 nan 0.000 0.458 489 V N 4.908 124.430 119.914 -0.654 0.000 2.350 489 V HA 0.266 4.385 4.120 -0.003 0.000 0.276 489 V C -0.729 174.924 176.094 -0.734 0.000 1.028 489 V CA -0.720 61.168 62.300 -0.686 0.000 0.860 489 V CB 0.578 31.787 31.823 -1.024 0.000 0.990 489 V HN 0.585 nan 8.190 nan 0.000 0.453 490 Y N 5.198 125.269 120.300 -0.383 0.000 2.341 490 Y HA 0.678 5.226 4.550 -0.003 0.000 0.340 490 Y C 0.355 176.034 175.900 -0.367 0.000 0.997 490 Y CA -0.267 57.627 58.100 -0.343 0.000 1.149 490 Y CB 1.427 39.734 38.460 -0.254 0.000 1.171 490 Y HN 0.494 nan 8.280 nan 0.000 0.494 491 M N 1.557 120.994 119.600 -0.273 0.000 2.619 491 M HA 0.551 5.029 4.480 -0.003 0.000 0.297 491 M C -0.862 175.261 176.300 -0.295 0.000 1.229 491 M CA -0.609 54.507 55.300 -0.308 0.000 0.860 491 M CB 2.482 34.894 32.600 -0.313 0.000 1.741 491 M HN 0.468 nan 8.290 nan 0.000 0.462 492 S N 0.685 116.143 115.700 -0.405 0.000 2.536 492 S HA 0.664 5.132 4.470 -0.003 0.000 0.298 492 S C -0.907 173.512 174.600 -0.301 0.000 1.083 492 S CA -0.863 57.109 58.200 -0.380 0.000 0.995 492 S CB 1.881 64.750 63.200 -0.553 0.000 1.058 492 S HN 0.672 nan 8.310 nan 0.000 0.488 493 S N 0.938 116.519 115.700 -0.199 0.000 2.478 493 S HA 0.775 5.243 4.470 -0.003 0.000 0.312 493 S C -0.985 173.490 174.600 -0.208 0.000 1.094 493 S CA -0.648 57.377 58.200 -0.291 0.000 1.081 493 S CB 0.953 63.932 63.200 -0.368 0.000 1.007 493 S HN 0.423 nan 8.310 nan 0.000 0.475 494 V N 2.610 122.415 119.914 -0.181 0.000 2.509 494 V HA 0.629 4.748 4.120 -0.003 0.000 0.289 494 V C 0.540 176.600 176.094 -0.056 0.000 1.026 494 V CA -0.738 61.567 62.300 0.008 0.000 0.872 494 V CB 0.991 32.941 31.823 0.212 0.000 1.017 494 V HN 1.283 nan 8.190 nan 0.000 0.436 495 A N 7.142 129.975 122.820 0.022 0.000 2.608 495 A HA 0.264 4.582 4.320 -0.003 0.000 0.239 495 A C -1.132 176.397 177.584 -0.091 0.000 1.018 495 A CA 0.283 52.356 52.037 0.059 0.000 0.766 495 A CB -0.015 19.187 19.000 0.337 0.000 0.928 495 A HN 0.709 nan 8.150 nan 0.000 0.512 496 P HA 0.247 nan 4.420 nan 0.000 0.257 496 P C -0.694 176.478 177.300 -0.213 0.000 1.737 496 P CA -0.024 62.884 63.100 -0.321 0.000 1.130 496 P CB 0.288 31.598 31.700 -0.650 0.000 1.572 497 S N -0.556 115.027 115.700 -0.195 0.000 2.588 497 S HA 0.556 5.024 4.470 -0.003 0.000 0.275 497 S C -0.629 173.862 174.600 -0.181 0.000 1.130 497 S CA -0.402 57.722 58.200 -0.126 0.000 0.855 497 S CB 0.941 64.178 63.200 0.062 0.000 1.116 497 S HN -0.057 nan 8.310 nan 0.000 0.472 498 F N 1.686 121.668 119.950 0.054 0.000 2.370 498 F HA 0.259 4.785 4.527 -0.002 0.000 0.324 498 F C 2.054 177.837 175.800 -0.028 0.000 1.116 498 F CA -0.215 57.790 58.000 0.009 0.000 1.123 498 F CB 1.053 40.162 39.000 0.181 0.000 1.238 498 F HN 0.740 nan 8.300 nan 0.000 0.536 499 S N 0.640 116.277 115.700 -0.105 0.000 2.453 499 S HA 0.097 4.565 4.470 -0.003 0.000 0.231 499 S C 0.373 174.994 174.600 0.036 0.000 1.005 499 S CA 0.511 58.494 58.200 -0.361 0.000 0.949 499 S CB -0.471 61.984 63.200 -1.241 0.000 0.774 499 S HN 0.414 nan 8.310 nan 0.000 0.510 500 I N 1.547 122.182 120.570 0.108 0.000 2.378 500 I HA 0.317 4.485 4.170 -0.003 0.000 0.291 500 I C 0.744 177.055 176.117 0.323 0.000 0.992 500 I CA -0.483 60.927 61.300 0.183 0.000 1.154 500 I CB 2.000 40.065 38.000 0.109 0.000 1.315 500 I HN 0.120 nan 8.210 nan 0.000 0.448 501 E N 3.122 123.472 120.200 0.249 0.000 2.250 501 E HA 0.025 4.373 4.350 -0.003 0.000 0.192 501 E C 0.000 176.671 176.600 0.118 0.000 0.986 501 E CA 0.351 56.866 56.400 0.191 0.000 0.849 501 E CB 0.440 30.219 29.700 0.132 0.000 0.797 501 E HN 0.701 nan 8.360 nan 0.000 0.482 502 S N -0.019 115.785 115.700 0.173 0.000 2.558 502 S HA 0.497 4.965 4.470 -0.003 0.000 0.277 502 S C -1.059 173.668 174.600 0.212 0.000 1.143 502 S CA -1.188 57.068 58.200 0.093 0.000 0.865 502 S CB 0.666 63.812 63.200 -0.089 0.000 1.102 502 S HN 0.207 nan 8.310 nan 0.000 0.454 503 F N -0.934 119.039 119.950 0.037 0.000 2.643 503 F HA 0.929 5.454 4.527 -0.003 0.000 0.314 503 F C -0.869 174.929 175.800 -0.004 0.000 1.096 503 F CA -0.800 57.204 58.000 0.007 0.000 0.953 503 F CB 1.422 40.414 39.000 -0.014 0.000 1.345 503 F HN 0.571 nan 8.300 nan 0.000 0.468 504 T N 2.250 116.888 114.554 0.140 0.000 2.863 504 T HA 0.704 5.052 4.350 -0.003 0.000 0.285 504 T C -0.661 174.108 174.700 0.115 0.000 1.009 504 T CA -0.528 61.585 62.100 0.022 0.000 0.989 504 T CB 1.703 70.577 68.868 0.010 0.000 1.004 504 T HN 1.037 nan 8.240 nan 0.000 0.455 505 V N 0.044 119.996 119.914 0.064 0.000 3.167 505 V HA 0.765 4.883 4.120 -0.003 0.000 0.310 505 V C -1.355 174.772 176.094 0.055 0.000 1.207 505 V CA -1.376 60.976 62.300 0.088 0.000 1.059 505 V CB 1.988 33.893 31.823 0.136 0.000 1.079 505 V HN 0.748 nan 8.190 nan 0.000 0.446 506 K N 0.555 120.987 120.400 0.052 0.000 2.156 506 K HA 0.478 4.796 4.320 -0.003 0.000 0.254 506 K C -0.444 176.192 176.600 0.060 0.000 0.950 506 K CA -0.552 55.762 56.287 0.046 0.000 0.849 506 K CB 2.108 34.627 32.500 0.031 0.000 1.100 506 K HN 0.901 nan 8.250 nan 0.000 0.434 507 E N 0.464 120.702 120.200 0.063 0.000 2.465 507 E HA -0.052 4.297 4.350 -0.003 0.000 0.260 507 E C 0.605 177.238 176.600 0.056 0.000 0.980 507 E CA 1.178 57.623 56.400 0.075 0.000 0.927 507 E CB 0.109 29.849 29.700 0.066 0.000 0.934 507 E HN 0.780 nan 8.360 nan 0.000 0.459 508 G N 3.957 112.795 108.800 0.063 0.000 2.234 508 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.235 508 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.235 508 G C -0.113 174.804 174.900 0.029 0.000 0.997 508 G CA 0.077 45.201 45.100 0.039 0.000 0.623 508 G HN 0.653 nan 8.290 nan 0.000 0.514 509 D N 1.106 121.527 120.400 0.035 0.000 2.423 509 D HA 0.366 5.004 4.640 -0.003 0.000 0.238 509 D C 0.584 176.867 176.300 -0.028 0.000 1.142 509 D CA 0.294 54.296 54.000 0.003 0.000 0.884 509 D CB 0.803 41.609 40.800 0.010 0.000 1.199 509 D HN 0.510 nan 8.370 nan 0.000 0.438 510 E N 1.691 121.845 120.200 -0.076 0.000 2.046 510 E HA 0.285 4.633 4.350 -0.003 0.000 0.279 510 E C -1.201 175.252 176.600 -0.244 0.000 0.989 510 E CA -0.623 55.695 56.400 -0.138 0.000 0.798 510 E CB 0.546 30.179 29.700 -0.112 0.000 1.086 510 E HN 0.064 nan 8.360 nan 0.000 0.399 511 V N 4.266 123.913 119.914 -0.445 0.000 2.427 511 V HA 0.293 4.411 4.120 -0.003 0.000 0.286 511 V C 0.144 175.770 176.094 -0.781 0.000 1.034 511 V CA -0.564 61.370 62.300 -0.611 0.000 0.893 511 V CB 1.680 33.078 31.823 -0.707 0.000 0.982 511 V HN 0.663 nan 8.190 nan 0.000 0.452 512 T N 4.335 118.565 114.554 -0.539 0.000 2.792 512 T HA 0.539 4.887 4.350 -0.003 0.000 0.280 512 T C -0.402 173.980 174.700 -0.529 0.000 0.990 512 T CA -0.342 61.473 62.100 -0.476 0.000 0.960 512 T CB 1.592 70.239 68.868 -0.369 0.000 0.939 512 T HN 0.356 nan 8.240 nan 0.000 0.439 513 V N 4.971 124.595 119.914 -0.485 0.000 2.370 513 V HA 0.486 4.604 4.120 -0.003 0.000 0.283 513 V C -0.455 175.260 176.094 -0.631 0.000 1.023 513 V CA -0.764 61.154 62.300 -0.637 0.000 0.857 513 V CB 1.125 32.507 31.823 -0.735 0.000 0.985 513 V HN 0.738 nan 8.190 nan 0.000 0.443 514 I N 5.798 125.955 120.570 -0.688 0.000 2.355 514 I HA 0.482 4.651 4.170 -0.003 0.000 0.288 514 I C -0.260 175.572 176.117 -0.475 0.000 0.999 514 I CA -0.169 60.803 61.300 -0.546 0.000 1.163 514 I CB 1.815 39.465 38.000 -0.584 0.000 1.316 514 I HN 0.287 nan 8.210 nan 0.000 0.454 515 V N 4.839 124.504 119.914 -0.414 0.000 2.540 515 V HA 0.573 4.691 4.120 -0.003 0.000 0.302 515 V C -0.085 175.836 176.094 -0.289 0.000 1.035 515 V CA -0.505 61.600 62.300 -0.324 0.000 0.873 515 V CB 1.979 33.644 31.823 -0.263 0.000 0.992 515 V HN 0.701 nan 8.190 nan 0.000 0.428 516 T N 3.573 117.979 114.554 -0.246 0.000 2.792 516 T HA 0.304 4.653 4.350 -0.003 0.000 0.280 516 T C -0.186 174.406 174.700 -0.181 0.000 0.990 516 T CA -0.421 61.519 62.100 -0.267 0.000 0.960 516 T CB 0.973 69.701 68.868 -0.232 0.000 0.939 516 T HN 0.610 nan 8.240 nan 0.000 0.439 517 N N 3.619 122.217 118.700 -0.169 0.000 2.439 517 N HA 0.185 4.923 4.740 -0.003 0.000 0.243 517 N C 0.677 176.175 175.510 -0.019 0.000 1.088 517 N CA -0.466 52.551 53.050 -0.056 0.000 0.940 517 N CB 0.267 38.748 38.487 -0.011 0.000 1.180 517 N HN 0.575 nan 8.380 nan 0.000 0.505 518 L N 0.942 122.172 121.223 0.012 0.000 2.599 518 L HA 0.132 4.470 4.340 -0.003 0.000 0.230 518 L C 0.188 177.110 176.870 0.087 0.000 1.141 518 L CA 0.217 55.089 54.840 0.053 0.000 0.877 518 L CB -0.150 41.961 42.059 0.087 0.000 1.009 518 L HN 0.377 nan 8.230 nan 0.000 0.447 519 D N 1.132 121.597 120.400 0.108 0.000 2.424 519 D HA 0.009 4.647 4.640 -0.003 0.000 0.244 519 D C 0.665 177.022 176.300 0.096 0.000 1.134 519 D CA 0.405 54.479 54.000 0.122 0.000 0.881 519 D CB 1.165 42.069 40.800 0.174 0.000 1.191 519 D HN 0.254 nan 8.370 nan 0.000 0.445 520 E N 1.065 121.316 120.200 0.085 0.000 2.501 520 E HA 0.167 4.515 4.350 -0.003 0.000 0.201 520 E C 0.168 176.806 176.600 0.063 0.000 1.016 520 E CA -0.173 56.272 56.400 0.076 0.000 0.920 520 E CB 0.662 30.402 29.700 0.068 0.000 1.023 520 E HN 0.400 nan 8.360 nan 0.000 0.474 521 I N 2.225 122.832 120.570 0.062 0.000 2.441 521 I HA 0.031 4.199 4.170 -0.003 0.000 0.287 521 I C 0.461 176.600 176.117 0.037 0.000 1.049 521 I CA -0.648 60.680 61.300 0.047 0.000 1.381 521 I CB 0.511 38.541 38.000 0.051 0.000 1.409 521 I HN -0.079 nan 8.210 nan 0.000 0.523 522 D N 5.748 126.165 120.400 0.028 0.000 2.493 522 D HA -0.111 4.527 4.640 -0.003 0.000 0.240 522 D C 0.724 177.034 176.300 0.015 0.000 1.142 522 D CA 0.968 54.980 54.000 0.019 0.000 0.872 522 D CB 0.520 41.326 40.800 0.010 0.000 1.173 522 D HN 0.634 nan 8.370 nan 0.000 0.467 523 D N 1.440 121.847 120.400 0.013 0.000 2.911 523 D HA -0.220 4.418 4.640 -0.003 0.000 0.199 523 D C 0.034 176.331 176.300 -0.005 0.000 1.041 523 D CA 0.352 54.360 54.000 0.014 0.000 1.013 523 D CB -1.008 39.805 40.800 0.022 0.000 1.093 523 D HN 0.340 nan 8.370 nan 0.000 0.431 524 L N 2.177 123.386 121.223 -0.023 0.000 2.391 524 L HA 0.309 4.647 4.340 -0.003 0.000 0.249 524 L C -0.033 176.712 176.870 -0.207 0.000 1.308 524 L CA 0.413 55.202 54.840 -0.084 0.000 1.209 524 L CB -0.284 41.761 42.059 -0.025 0.000 1.401 524 L HN -0.091 nan 8.230 nan 0.000 0.416 525 T N 2.489 116.902 114.554 -0.234 0.000 2.909 525 T HA 0.401 4.750 4.350 -0.003 0.000 0.289 525 T C -0.181 174.261 174.700 -0.430 0.000 1.005 525 T CA -0.245 61.632 62.100 -0.372 0.000 1.084 525 T CB 0.697 69.183 68.868 -0.638 0.000 0.975 525 T HN 0.344 nan 8.240 nan 0.000 0.509 526 H N -0.454 118.549 119.070 -0.111 0.000 2.864 526 H HA 0.720 5.274 4.556 -0.003 0.000 0.354 526 H C 0.247 175.653 175.328 0.131 0.000 1.208 526 H CA -0.667 55.426 56.048 0.074 0.000 1.191 526 H CB 2.016 31.777 29.762 -0.001 0.000 1.889 526 H HN 0.837 nan 8.280 nan 0.000 0.574 527 G N -0.216 108.890 108.800 0.510 0.000 2.680 527 G HA2 0.474 4.432 3.960 -0.003 0.000 0.290 527 G HA3 0.474 4.432 3.960 -0.003 0.000 0.290 527 G C -2.078 173.157 174.900 0.559 0.000 1.355 527 G CA -0.533 44.890 45.100 0.539 0.000 0.903 527 G HN 0.345 nan 8.290 nan 0.000 0.474 528 F N 1.174 121.282 119.950 0.263 0.000 2.612 528 F HA 0.632 5.157 4.527 -0.003 0.000 0.332 528 F C -0.498 175.299 175.800 -0.005 0.000 1.167 528 F CA -0.410 57.674 58.000 0.140 0.000 0.970 528 F CB 2.176 41.196 39.000 0.034 0.000 1.234 528 F HN 0.400 nan 8.300 nan 0.000 0.453 529 T N 6.936 121.096 114.554 -0.656 0.000 2.812 529 T HA 0.391 4.739 4.350 -0.003 0.000 0.282 529 T C -0.807 173.463 174.700 -0.717 0.000 0.990 529 T CA -0.444 61.290 62.100 -0.611 0.000 0.960 529 T CB 1.401 69.752 68.868 -0.862 0.000 0.948 529 T HN 0.573 nan 8.240 nan 0.000 0.438 530 M N 3.565 122.918 119.600 -0.412 0.000 2.061 530 M HA 0.531 5.009 4.480 -0.003 0.000 0.346 530 M C 0.568 176.827 176.300 -0.069 0.000 1.112 530 M CA -0.569 54.568 55.300 -0.272 0.000 1.021 530 M CB 0.170 32.593 32.600 -0.295 0.000 1.530 530 M HN 0.688 nan 8.290 nan 0.000 0.437 531 G N 4.085 112.933 108.800 0.080 0.000 2.225 531 G HA2 0.098 4.056 3.960 -0.003 0.000 0.245 531 G HA3 0.098 4.056 3.960 -0.003 0.000 0.245 531 G C 0.379 175.437 174.900 0.263 0.000 1.249 531 G CA -0.108 45.124 45.100 0.220 0.000 0.919 531 G HN 1.019 nan 8.290 nan 0.000 0.486 532 N N 0.006 118.832 118.700 0.210 0.000 2.815 532 N HA -0.216 4.522 4.740 -0.003 0.000 0.247 532 N C 0.299 175.884 175.510 0.125 0.000 1.030 532 N CA 1.514 54.681 53.050 0.195 0.000 0.881 532 N CB -1.222 37.449 38.487 0.307 0.000 1.134 532 N HN 0.655 nan 8.380 nan 0.000 0.582 533 Y N -0.237 119.969 120.300 -0.157 0.000 2.507 533 Y HA 0.401 4.949 4.550 -0.003 0.000 0.254 533 Y C 1.621 177.394 175.900 -0.212 0.000 1.171 533 Y CA 0.368 58.291 58.100 -0.295 0.000 1.238 533 Y CB 0.299 38.423 38.460 -0.561 0.000 1.148 533 Y HN 0.187 nan 8.280 nan 0.000 0.525 534 G N 1.076 109.859 108.800 -0.030 0.000 2.305 534 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.287 534 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.287 534 G C -0.538 174.363 174.900 0.002 0.000 1.036 534 G CA 0.538 45.627 45.100 -0.019 0.000 0.887 534 G HN 0.145 nan 8.290 nan 0.000 0.505 535 V N -0.379 119.534 119.914 -0.002 0.000 2.577 535 V HA 0.897 5.015 4.120 -0.003 0.000 0.303 535 V C 0.195 176.311 176.094 0.036 0.000 1.042 535 V CA -0.118 62.205 62.300 0.038 0.000 0.872 535 V CB 1.824 33.663 31.823 0.026 0.000 0.998 535 V HN 1.584 nan 8.190 nan 0.000 0.423 536 A N 6.726 129.602 122.820 0.093 0.000 2.491 536 A HA 0.937 5.255 4.320 -0.003 0.000 0.293 536 A C -0.911 176.788 177.584 0.191 0.000 1.047 536 A CA -0.535 51.565 52.037 0.105 0.000 0.735 536 A CB 1.818 20.860 19.000 0.069 0.000 1.281 536 A HN 1.133 nan 8.150 nan 0.000 0.398 537 M N 0.908 120.659 119.600 0.252 0.000 2.569 537 M HA 0.715 5.193 4.480 -0.003 0.000 0.279 537 M C -0.740 175.733 176.300 0.289 0.000 1.253 537 M CA -0.516 54.937 55.300 0.254 0.000 0.867 537 M CB 1.912 34.615 32.600 0.172 0.000 1.727 537 M HN 0.684 nan 8.290 nan 0.000 0.467 538 E N 1.683 121.992 120.200 0.181 0.000 2.301 538 E HA 0.553 4.901 4.350 -0.003 0.000 0.275 538 E C -1.705 174.797 176.600 -0.163 0.000 1.030 538 E CA -0.614 55.712 56.400 -0.124 0.000 0.852 538 E CB 1.162 30.696 29.700 -0.276 0.000 1.060 538 E HN 0.695 nan 8.360 nan 0.000 0.401 539 I N 3.857 124.279 120.570 -0.247 0.000 2.542 539 I HA 0.276 4.444 4.170 -0.003 0.000 0.278 539 I C 0.418 176.389 176.117 -0.243 0.000 1.069 539 I CA -0.374 60.796 61.300 -0.216 0.000 1.100 539 I CB 1.603 39.546 38.000 -0.095 0.000 1.204 539 I HN 0.569 nan 8.210 nan 0.000 0.470 540 G N 5.345 113.994 108.800 -0.252 0.000 2.634 540 G HA2 0.434 4.392 3.960 -0.003 0.000 0.255 540 G HA3 0.434 4.392 3.960 -0.003 0.000 0.255 540 G C -2.542 172.351 174.900 -0.013 0.000 1.205 540 G CA -1.151 43.893 45.100 -0.094 0.000 0.884 540 G HN 0.313 nan 8.290 nan 0.000 0.549 541 P HA 0.048 nan 4.420 nan 0.000 0.267 541 P C -0.291 177.116 177.300 0.178 0.000 1.209 541 P CA 0.389 63.553 63.100 0.107 0.000 0.763 541 P CB 1.204 32.962 31.700 0.098 0.000 0.816 542 Q N -1.356 118.496 119.800 0.087 0.000 2.429 542 Q HA -0.199 4.139 4.340 -0.003 0.000 0.232 542 Q C 0.072 176.065 176.000 -0.012 0.000 0.724 542 Q CA 1.221 57.086 55.803 0.103 0.000 1.287 542 Q CB -2.102 26.773 28.738 0.228 0.000 1.429 542 Q HN 0.653 nan 8.270 nan 0.000 0.721 543 M N 0.208 119.630 119.600 -0.297 0.000 2.444 543 M HA 0.390 4.869 4.480 -0.003 0.000 0.319 543 M C -0.553 175.092 176.300 -1.092 0.000 1.183 543 M CA 0.057 54.790 55.300 -0.945 0.000 1.032 543 M CB 1.513 33.508 32.600 -1.008 0.000 1.569 543 M HN -0.016 nan 8.290 nan 0.000 0.468 544 T N 2.564 115.999 114.554 -1.864 0.000 2.841 544 T HA 0.586 4.934 4.350 -0.003 0.000 0.285 544 T C -1.161 173.013 174.700 -0.877 0.000 0.991 544 T CA -0.729 60.628 62.100 -1.237 0.000 0.966 544 T CB 1.330 69.382 68.868 -1.360 0.000 0.962 544 T HN 0.756 nan 8.240 nan 0.000 0.438 545 S N 1.584 116.986 115.700 -0.496 0.000 2.595 545 S HA 0.925 5.393 4.470 -0.003 0.000 0.281 545 S C -0.658 173.791 174.600 -0.252 0.000 1.117 545 S CA -0.885 57.139 58.200 -0.293 0.000 0.873 545 S CB 1.962 65.030 63.200 -0.219 0.000 1.108 545 S HN 0.833 nan 8.310 nan 0.000 0.477 546 S N -0.164 115.428 115.700 -0.180 0.000 2.588 546 S HA 0.863 5.332 4.470 -0.003 0.000 0.275 546 S C -1.257 173.263 174.600 -0.133 0.000 1.130 546 S CA -0.827 57.249 58.200 -0.208 0.000 0.855 546 S CB 1.424 64.494 63.200 -0.217 0.000 1.116 546 S HN 1.726 nan 8.310 nan 0.000 0.472 547 V N 1.008 120.840 119.914 -0.137 0.000 2.932 547 V HA 0.772 4.891 4.120 -0.003 0.000 0.307 547 V C -1.273 174.793 176.094 -0.048 0.000 1.147 547 V CA -0.073 62.210 62.300 -0.029 0.000 0.951 547 V CB 2.310 34.185 31.823 0.087 0.000 1.031 547 V HN 1.192 nan 8.190 nan 0.000 0.426 548 T N 6.844 121.382 114.554 -0.026 0.000 2.856 548 T HA 0.870 5.218 4.350 -0.003 0.000 0.283 548 T C -1.019 173.696 174.700 0.024 0.000 1.008 548 T CA -0.174 61.846 62.100 -0.134 0.000 0.997 548 T CB 1.238 70.019 68.868 -0.146 0.000 0.992 548 T HN 0.851 nan 8.240 nan 0.000 0.454 549 F N -0.569 119.382 119.950 0.002 0.000 2.686 549 F HA 0.781 5.307 4.527 -0.003 0.000 0.311 549 F C -1.555 174.269 175.800 0.039 0.000 1.128 549 F CA -1.535 56.484 58.000 0.032 0.000 0.946 549 F CB 0.617 39.680 39.000 0.106 0.000 1.336 549 F HN 0.257 nan 8.300 nan 0.000 0.457 550 V N 2.130 122.197 119.914 0.256 0.000 2.383 550 V HA 0.615 4.733 4.120 -0.003 0.000 0.275 550 V C 0.515 176.791 176.094 0.303 0.000 1.036 550 V CA -0.466 61.927 62.300 0.155 0.000 0.889 550 V CB 1.048 32.906 31.823 0.057 0.000 0.985 550 V HN 1.083 nan 8.190 nan 0.000 0.459 551 A N 4.445 127.463 122.820 0.331 0.000 3.048 551 A HA 0.516 4.834 4.320 -0.003 0.000 0.264 551 A C 1.173 178.873 177.584 0.193 0.000 1.796 551 A CA 0.338 52.633 52.037 0.430 0.000 1.445 551 A CB -0.446 18.764 19.000 0.349 0.000 1.074 551 A HN 1.176 nan 8.150 nan 0.000 0.621 552 A N 1.707 124.555 122.820 0.048 0.000 2.929 552 A HA 0.415 4.733 4.320 -0.003 0.000 0.279 552 A C 0.341 177.900 177.584 -0.041 0.000 1.418 552 A CA -0.298 51.733 52.037 -0.010 0.000 1.035 552 A CB -0.462 18.509 19.000 -0.047 0.000 1.047 552 A HN 0.524 nan 8.150 nan 0.000 0.609 553 N N 0.808 119.530 118.700 0.037 0.000 2.812 553 N HA 0.236 4.974 4.740 -0.003 0.000 0.262 553 N C -3.446 172.234 175.510 0.284 0.000 1.241 553 N CA -1.017 52.092 53.050 0.097 0.000 0.854 553 N CB 2.370 40.841 38.487 -0.027 0.000 1.506 553 N HN 0.062 nan 8.380 nan 0.000 0.576 554 P HA 0.442 nan 4.420 nan 0.000 0.272 554 P C 0.435 177.913 177.300 0.297 0.000 1.230 554 P CA 0.578 63.819 63.100 0.235 0.000 0.788 554 P CB 0.923 32.697 31.700 0.123 0.000 0.949 555 G N -0.440 108.470 108.800 0.184 0.000 2.373 555 G HA2 -0.016 3.942 3.960 -0.003 0.000 0.634 555 G HA3 -0.016 3.942 3.960 -0.003 0.000 0.634 555 G C -1.421 173.363 174.900 -0.195 0.000 1.267 555 G CA -0.632 44.450 45.100 -0.031 0.000 1.008 555 G HN 0.450 nan 8.290 nan 0.000 0.497 556 V N 0.793 120.439 119.914 -0.448 0.000 2.465 556 V HA 0.658 4.776 4.120 -0.003 0.000 0.279 556 V C -0.585 175.007 176.094 -0.836 0.000 1.045 556 V CA -0.085 61.923 62.300 -0.485 0.000 0.938 556 V CB 0.759 32.376 31.823 -0.344 0.000 0.986 556 V HN 0.634 nan 8.190 nan 0.000 0.467 557 Y N 2.164 122.302 120.300 -0.269 0.000 2.442 557 Y HA 0.501 5.049 4.550 -0.003 0.000 0.344 557 Y C -0.646 175.077 175.900 -0.296 0.000 0.976 557 Y CA -0.830 57.154 58.100 -0.193 0.000 1.040 557 Y CB 1.657 39.950 38.460 -0.279 0.000 1.228 557 Y HN 0.598 nan 8.280 nan 0.000 0.451 558 W N 3.896 125.161 121.300 -0.057 0.000 2.433 558 W HA 0.475 5.133 4.660 -0.003 0.000 0.315 558 W C -0.900 175.553 176.519 -0.109 0.000 1.087 558 W CA -0.819 56.428 57.345 -0.165 0.000 1.205 558 W CB 0.748 30.122 29.460 -0.142 0.000 1.288 558 W HN 0.405 nan 8.180 nan 0.000 0.504 559 Y N 2.489 122.816 120.300 0.046 0.000 2.342 559 Y HA 0.706 5.254 4.550 -0.003 0.000 0.334 559 Y C -0.650 175.194 175.900 -0.093 0.000 1.067 559 Y CA -2.301 55.623 58.100 -0.293 0.000 1.128 559 Y CB 0.347 38.402 38.460 -0.675 0.000 1.200 559 Y HN 0.479 nan 8.280 nan 0.000 0.464 560 Y N 0.774 121.028 120.300 -0.077 0.000 2.615 560 Y HA 0.622 5.170 4.550 -0.003 0.000 0.341 560 Y C -1.028 175.017 175.900 0.242 0.000 1.089 560 Y CA -2.505 55.663 58.100 0.114 0.000 1.049 560 Y CB 0.665 39.123 38.460 -0.002 0.000 1.296 560 Y HN 1.009 nan 8.280 nan 0.000 0.470 561 C N 4.292 123.905 119.300 0.521 0.000 2.482 561 C HA 0.249 4.707 4.460 -0.003 0.000 0.378 561 C C 1.028 176.305 174.990 0.477 0.000 1.284 561 C CA -0.035 59.265 59.018 0.470 0.000 1.826 561 C CB -0.220 27.732 27.740 0.352 0.000 2.473 561 C HN 0.977 nan 8.230 nan 0.000 0.562 562 Q N 4.789 124.842 119.800 0.420 0.000 2.280 562 Q HA 0.091 4.429 4.340 -0.003 0.000 0.201 562 Q C -0.178 176.019 176.000 0.329 0.000 0.890 562 Q CA 0.168 56.214 55.803 0.405 0.000 0.947 562 Q CB 0.192 29.034 28.738 0.173 0.000 1.081 562 Q HN 0.892 nan 8.270 nan 0.000 0.502 563 W N 1.166 122.656 121.300 0.316 0.000 2.299 563 W HA 0.337 4.995 4.660 -0.004 0.000 0.319 563 W C -0.933 175.553 176.519 -0.055 0.000 1.008 563 W CA -1.579 55.849 57.345 0.138 0.000 1.384 563 W CB 0.538 30.057 29.460 0.099 0.000 1.220 563 W HN -0.024 nan 8.180 nan 0.000 0.402 564 F N 4.098 123.824 119.950 -0.372 0.000 2.549 564 F HA -0.172 4.353 4.527 -0.003 0.000 0.400 564 F C 1.408 177.078 175.800 -0.218 0.000 1.011 564 F CA 1.123 58.647 58.000 -0.792 0.000 1.148 564 F CB 0.507 39.218 39.000 -0.481 0.000 0.993 564 F HN 0.385 nan 8.300 nan 0.000 0.540 565 C N 3.533 122.860 119.300 0.046 0.000 3.931 565 C HA 0.418 4.877 4.460 -0.003 0.000 0.378 565 C C 0.015 175.186 174.990 0.302 0.000 1.554 565 C CA -0.221 58.897 59.018 0.166 0.000 1.926 565 C CB -0.791 26.999 27.740 0.083 0.000 2.837 565 C HN 0.836 nan 8.230 nan 0.000 0.701 566 H N -0.933 118.264 119.070 0.212 0.000 2.935 566 H HA 0.437 4.992 4.556 -0.001 0.000 0.297 566 H C 0.594 176.071 175.328 0.247 0.000 1.423 566 H CA 0.421 56.590 56.048 0.201 0.000 1.161 566 H CB 1.574 31.437 29.762 0.168 0.000 1.841 566 H HN -0.029 nan 8.280 nan 0.000 0.506 567 A N 1.723 124.626 122.820 0.139 0.000 2.019 567 A HA 0.001 4.320 4.320 -0.003 0.000 0.219 567 A C 1.613 179.403 177.584 0.343 0.000 1.164 567 A CA 1.189 53.374 52.037 0.247 0.000 0.644 567 A CB -0.332 18.710 19.000 0.070 0.000 0.805 567 A HN 0.419 nan 8.150 nan 0.000 0.449 568 L N -0.792 120.748 121.223 0.528 0.000 2.912 568 L HA 0.133 4.471 4.340 -0.003 0.000 0.240 568 L C 1.583 178.507 176.870 0.091 0.000 1.262 568 L CA -0.065 54.907 54.840 0.220 0.000 1.058 568 L CB -0.380 41.748 42.059 0.114 0.000 1.383 568 L HN 0.575 nan 8.230 nan 0.000 0.512 569 H N 0.842 119.877 119.070 -0.058 0.000 2.353 569 H HA -0.176 4.378 4.556 -0.003 0.000 0.300 569 H C 2.163 177.363 175.328 -0.214 0.000 1.090 569 H CA 1.873 57.774 56.048 -0.245 0.000 1.327 569 H CB 0.332 29.609 29.762 -0.809 0.000 1.383 569 H HN 0.135 nan 8.280 nan 0.000 0.508 570 M N 0.331 119.733 119.600 -0.330 0.000 2.267 570 M HA -0.098 4.380 4.480 -0.003 0.000 0.263 570 M C 1.335 177.484 176.300 -0.251 0.000 1.063 570 M CA 1.360 56.459 55.300 -0.334 0.000 1.090 570 M CB -0.672 31.827 32.600 -0.169 0.000 1.392 570 M HN 0.375 nan 8.290 nan 0.000 0.422 571 E N -0.451 119.660 120.200 -0.150 0.000 2.489 571 E HA 0.122 4.470 4.350 -0.003 0.000 0.193 571 E C 0.642 177.225 176.600 -0.029 0.000 1.057 571 E CA -0.036 56.310 56.400 -0.088 0.000 0.866 571 E CB -0.139 29.536 29.700 -0.042 0.000 0.916 571 E HN 0.350 nan 8.360 nan 0.000 0.500 572 M N 2.705 122.275 119.600 -0.050 0.000 2.974 572 M HA 0.163 4.641 4.480 -0.003 0.000 0.301 572 M C -0.776 175.686 176.300 0.271 0.000 1.409 572 M CA 0.066 55.391 55.300 0.043 0.000 1.515 572 M CB -0.373 32.184 32.600 -0.072 0.000 1.163 572 M HN -0.070 nan 8.290 nan 0.000 0.520 573 R N 1.916 122.608 120.500 0.320 0.000 2.692 573 R HA 0.896 5.234 4.340 -0.003 0.000 0.269 573 R C -1.130 175.285 176.300 0.192 0.000 1.030 573 R CA -1.199 55.097 56.100 0.327 0.000 0.882 573 R CB 1.053 31.489 30.300 0.227 0.000 1.250 573 R HN 0.451 nan 8.270 nan 0.000 0.465 574 G N 0.735 109.268 108.800 -0.445 0.000 2.866 574 G HA2 0.667 4.626 3.960 -0.003 0.000 0.289 574 G HA3 0.667 4.626 3.960 -0.003 0.000 0.289 574 G C -1.479 172.587 174.900 -1.391 0.000 1.396 574 G CA -1.257 43.352 45.100 -0.819 0.000 0.848 574 G HN 0.428 nan 8.290 nan 0.000 0.515 575 R N -0.499 119.385 120.500 -1.028 0.000 2.562 575 R HA 0.590 4.928 4.340 -0.003 0.000 0.298 575 R C -0.400 175.591 176.300 -0.514 0.000 0.961 575 R CA -0.610 54.907 56.100 -0.971 0.000 0.881 575 R CB 2.490 32.107 30.300 -1.139 0.000 1.159 575 R HN 0.515 nan 8.270 nan 0.000 0.450 576 M N 4.393 123.690 119.600 -0.506 0.000 2.149 576 M HA 0.388 4.867 4.480 -0.003 0.000 0.342 576 M C -1.574 174.449 176.300 -0.462 0.000 1.068 576 M CA -0.562 54.275 55.300 -0.772 0.000 0.991 576 M CB 0.812 33.008 32.600 -0.673 0.000 1.596 576 M HN 0.525 nan 8.290 nan 0.000 0.439 577 L N 6.361 127.333 121.223 -0.419 0.000 2.262 577 L HA 0.458 4.796 4.340 -0.003 0.000 0.288 577 L C -0.826 175.978 176.870 -0.110 0.000 1.035 577 L CA -0.917 53.792 54.840 -0.217 0.000 0.820 577 L CB 1.278 43.224 42.059 -0.188 0.000 1.204 577 L HN 0.452 nan 8.230 nan 0.000 0.424 578 V N 3.277 123.190 119.914 -0.002 0.000 2.304 578 V HA 0.164 4.282 4.120 -0.003 0.000 0.269 578 V C 0.401 176.531 176.094 0.059 0.000 1.036 578 V CA -0.679 61.659 62.300 0.064 0.000 0.840 578 V CB 0.633 32.558 31.823 0.170 0.000 1.036 578 V HN 0.705 nan 8.190 nan 0.000 0.466 579 E N 6.035 126.255 120.200 0.033 0.000 2.384 579 E HA 0.195 4.543 4.350 -0.003 0.000 0.266 579 E C -2.198 174.425 176.600 0.039 0.000 1.012 579 E CA -1.436 54.979 56.400 0.026 0.000 0.901 579 E CB 0.492 30.201 29.700 0.015 0.000 0.967 579 E HN 0.455 nan 8.360 nan 0.000 0.435 861 R N 1.128 121.653 120.500 0.042 0.000 2.081 861 R HA -0.017 4.321 4.340 -0.003 0.000 0.235 861 R C 2.022 178.381 176.300 0.098 0.000 1.131 861 R CA 2.026 58.161 56.100 0.058 0.000 0.960 861 R CB -0.207 30.115 30.300 0.036 0.000 0.856 861 R HN 0.036 nan 8.270 nan 0.000 0.436 862 T N 1.011 115.618 114.554 0.089 0.000 2.746 862 T HA -0.163 4.185 4.350 -0.003 0.000 0.267 862 T C 1.714 176.486 174.700 0.120 0.000 1.039 862 T CA 1.301 63.480 62.100 0.131 0.000 1.142 862 T CB -0.070 68.866 68.868 0.114 0.000 0.866 862 T HN 0.263 nan 8.240 nan 0.000 0.444 863 K N 1.056 121.495 120.400 0.065 0.000 2.063 863 K HA -0.116 4.202 4.320 -0.003 0.000 0.208 863 K C 2.212 178.825 176.600 0.021 0.000 1.048 863 K CA 1.293 57.596 56.287 0.027 0.000 0.928 863 K CB 0.001 32.512 32.500 0.018 0.000 0.713 863 K HN 0.226 nan 8.250 nan 0.000 0.442 864 K N -0.331 120.098 120.400 0.048 0.000 2.057 864 K HA -0.135 4.183 4.320 -0.003 0.000 0.206 864 K C 2.024 178.647 176.600 0.039 0.000 1.050 864 K CA 1.335 57.643 56.287 0.036 0.000 0.935 864 K CB -0.263 32.266 32.500 0.049 0.000 0.715 864 K HN 0.138 nan 8.250 nan 0.000 0.439 865 F N 2.168 122.107 119.950 -0.019 0.000 2.075 865 F HA -0.178 4.347 4.527 -0.003 0.000 0.297 865 F C 1.759 177.539 175.800 -0.034 0.000 1.113 865 F CA 1.368 59.359 58.000 -0.015 0.000 1.218 865 F CB -0.340 38.660 39.000 0.001 0.000 0.984 865 F HN -0.130 nan 8.300 nan 0.000 0.472 866 L N 0.133 121.234 121.223 -0.204 0.000 2.083 866 L HA -0.205 4.134 4.340 -0.003 0.000 0.209 866 L C 2.836 179.542 176.870 -0.274 0.000 1.083 866 L CA 1.173 55.824 54.840 -0.315 0.000 0.752 866 L CB -1.290 40.663 42.059 -0.177 0.000 0.899 866 L HN 0.297 nan 8.230 nan 0.000 0.433 867 A N 0.158 122.874 122.820 -0.174 0.000 1.902 867 A HA -0.180 4.138 4.320 -0.003 0.000 0.217 867 A C 2.476 179.968 177.584 -0.154 0.000 1.181 867 A CA 1.728 53.687 52.037 -0.130 0.000 0.623 867 A CB -0.715 18.239 19.000 -0.077 0.000 0.818 867 A HN 0.401 nan 8.150 nan 0.000 0.443 868 A N -0.540 122.163 122.820 -0.193 0.000 2.172 868 A HA -0.086 4.232 4.320 -0.003 0.000 0.216 868 A C 1.356 178.805 177.584 -0.226 0.000 1.154 868 A CA 1.523 53.452 52.037 -0.180 0.000 0.701 868 A CB -0.543 18.360 19.000 -0.162 0.000 0.789 868 A HN 0.627 nan 8.150 nan 0.000 0.465 869 N N -1.151 117.358 118.700 -0.319 0.000 2.234 869 N HA 0.364 5.102 4.740 -0.003 0.000 0.227 869 N C 0.718 176.125 175.510 -0.171 0.000 1.151 869 N CA 0.643 53.528 53.050 -0.274 0.000 0.865 869 N CB 0.682 38.914 38.487 -0.426 0.000 1.066 869 N HN 0.428 nan 8.380 nan 0.000 0.515 870 G N 0.824 109.540 108.800 -0.141 0.000 2.249 870 G HA2 -0.329 3.629 3.960 -0.003 0.000 0.273 870 G HA3 -0.329 3.629 3.960 -0.003 0.000 0.273 870 G C -0.262 174.584 174.900 -0.091 0.000 1.036 870 G CA 0.434 45.476 45.100 -0.096 0.000 0.824 870 G HN 0.321 nan 8.290 nan 0.000 0.504 871 K N -1.584 118.745 120.400 -0.118 0.000 2.375 871 K HA 0.619 4.938 4.320 -0.003 0.000 0.249 871 K C 0.887 177.421 176.600 -0.110 0.000 0.942 871 K CA -0.955 55.269 56.287 -0.105 0.000 0.806 871 K CB 1.960 34.392 32.500 -0.114 0.000 1.227 871 K HN 0.053 nan 8.250 nan 0.000 0.430 872 R N 1.738 122.181 120.500 -0.095 0.000 2.146 872 R HA 0.214 4.552 4.340 -0.003 0.000 0.206 872 R C 0.627 176.863 176.300 -0.106 0.000 1.049 872 R CA 0.656 56.703 56.100 -0.088 0.000 1.029 872 R CB 0.297 30.554 30.300 -0.072 0.000 0.949 872 R HN 0.707 nan 8.270 nan 0.000 0.471 873 I N 0.000 120.489 120.570 -0.134 0.000 2.984 873 I HA 0.000 4.168 4.170 -0.003 0.000 0.288 873 I CA 0.000 61.203 61.300 -0.161 0.000 1.566 873 I CB 0.000 37.835 38.000 -0.275 0.000 1.214 873 I HN 0.000 nan 8.210 nan 0.000 0.494