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 2ohi_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKAAAKRISD GVYWTGVLDW DLRNYHGYTL QGTTYNAYLV CGDEGVALID DATA SEQUENCE NSYPGTFDEL MARVEDALQQ VGMERVDYII QNHVEKDHSG VLVELHRRFP DATA SEQUENCE EAPIYCTEVA VKGLLKHYPS LREAEFMTVK TGDVLDLGGK TLTFLETPLL DATA SEQUENCE HWPDSMFTLL DEDGILFSND AFGQHLCCPQ RLDREIPEYI LMDAARKFYA DATA SEQUENCE NLITPLSKLV LKKFDEVKEL GLLERIQMIA PSHGQIWTDP MKIIEAYTGW DATA SEQUENCE ATGMVDERVT VIYDTMHGST RKMAHAIAEG AMSEGVDVRV YCLHEDDRSE DATA SEQUENCE IVKDILESGA IALGAPTIYD EPYPSVGDLL MYLRGLKFNR TLTRKALVFG DATA SEQUENCE SMGGNGGATG TMKELLAEAG FDVACEEEVY YVPTGDELDA CFEAGRKLAA DATA SEQUENCE EIR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.289 176.300 -0.018 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.025 0.000 1.302 2 K N 2.753 123.153 120.400 -0.002 0.000 2.273 2 K HA 0.675 4.995 4.320 -0.000 0.000 0.287 2 K C -0.833 175.780 176.600 0.022 0.000 1.089 2 K CA -0.010 56.282 56.287 0.008 0.000 0.909 2 K CB 1.006 33.515 32.500 0.015 0.000 1.123 2 K HN 0.558 nan 8.250 nan 0.000 0.473 3 A N 2.475 125.304 122.820 0.015 0.000 2.476 3 A HA 0.599 4.919 4.320 -0.000 0.000 0.280 3 A C -0.877 176.729 177.584 0.036 0.000 1.081 3 A CA -0.714 51.346 52.037 0.039 0.000 0.753 3 A CB 1.213 20.226 19.000 0.023 0.000 1.248 3 A HN 0.663 nan 8.150 nan 0.000 0.424 4 A N 1.717 124.584 122.820 0.078 0.000 2.354 4 A HA 0.775 5.095 4.320 -0.000 0.000 0.269 4 A C 0.715 178.387 177.584 0.145 0.000 1.109 4 A CA 0.292 52.381 52.037 0.087 0.000 0.800 4 A CB 0.432 19.488 19.000 0.093 0.000 1.045 4 A HN 2.222 nan 8.150 nan 0.000 0.489 5 A N 1.446 124.338 122.820 0.120 0.000 2.304 5 A HA 0.633 4.953 4.320 -0.000 0.000 0.271 5 A C 0.159 177.939 177.584 0.327 0.000 1.091 5 A CA -0.412 51.744 52.037 0.199 0.000 0.812 5 A CB 0.370 19.420 19.000 0.082 0.000 1.056 5 A HN 0.804 nan 8.150 nan 0.000 0.489 6 K N 0.820 121.491 120.400 0.452 0.000 2.394 6 K HA 0.342 4.662 4.320 -0.000 0.000 0.260 6 K C -0.157 176.624 176.600 0.301 0.000 0.967 6 K CA -0.368 56.129 56.287 0.350 0.000 0.855 6 K CB 0.843 33.508 32.500 0.276 0.000 1.101 6 K HN 0.668 nan 8.250 nan 0.000 0.433 7 R N 5.243 125.834 120.500 0.152 0.000 2.404 7 R HA 0.108 4.447 4.340 -0.000 0.000 0.315 7 R C 0.348 176.577 176.300 -0.119 0.000 1.032 7 R CA 0.321 56.277 56.100 -0.241 0.000 0.992 7 R CB 0.006 30.148 30.300 -0.264 0.000 0.959 7 R HN 0.891 nan 8.270 nan 0.000 0.428 8 I N -0.016 120.481 120.570 -0.121 0.000 4.181 8 I HA 0.351 4.521 4.170 -0.000 0.000 0.331 8 I C 0.233 176.302 176.117 -0.080 0.000 1.312 8 I CA -0.445 60.831 61.300 -0.040 0.000 1.146 8 I CB 0.773 38.814 38.000 0.069 0.000 1.074 8 I HN 0.455 nan 8.210 nan 0.000 0.402 9 S N -0.077 115.539 115.700 -0.139 0.000 2.615 9 S HA 0.243 4.713 4.470 -0.000 0.000 0.268 9 S C -1.762 172.739 174.600 -0.165 0.000 1.146 9 S CA -0.732 57.397 58.200 -0.118 0.000 0.818 9 S CB 1.070 64.225 63.200 -0.074 0.000 1.111 9 S HN 0.252 nan 8.310 nan 0.000 0.465 10 D N 0.900 121.241 120.400 -0.099 0.000 2.472 10 D HA 0.438 5.078 4.640 -0.000 0.000 0.248 10 D C 1.470 177.749 176.300 -0.035 0.000 1.174 10 D CA 2.376 56.335 54.000 -0.068 0.000 0.883 10 D CB 0.210 40.995 40.800 -0.024 0.000 1.149 10 D HN 1.105 nan 8.370 nan 0.000 0.488 11 G N 2.234 111.037 108.800 0.006 0.000 2.228 11 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.270 11 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.270 11 G C 0.319 175.324 174.900 0.175 0.000 0.976 11 G CA 0.484 45.682 45.100 0.163 0.000 0.636 11 G HN 0.559 nan 8.290 nan 0.000 0.542 12 V N 0.702 120.590 119.914 -0.042 0.000 2.370 12 V HA 0.686 4.806 4.120 -0.000 0.000 0.283 12 V C -0.396 175.644 176.094 -0.091 0.000 1.023 12 V CA -0.753 61.592 62.300 0.075 0.000 0.857 12 V CB 1.020 32.925 31.823 0.137 0.000 0.985 12 V HN 0.263 nan 8.190 nan 0.000 0.443 13 Y N 2.178 122.606 120.300 0.213 0.000 2.442 13 Y HA 0.398 4.948 4.550 -0.000 0.000 0.344 13 Y C -0.311 175.771 175.900 0.303 0.000 0.976 13 Y CA -0.732 57.501 58.100 0.221 0.000 1.040 13 Y CB 1.672 40.206 38.460 0.124 0.000 1.228 13 Y HN 0.759 nan 8.280 nan 0.000 0.451 14 W N 4.044 125.503 121.300 0.265 0.000 2.238 14 W HA 0.408 5.068 4.660 -0.000 0.000 0.321 14 W C 0.246 176.774 176.519 0.015 0.000 1.293 14 W CA 0.064 57.449 57.345 0.067 0.000 1.204 14 W CB 1.068 30.551 29.460 0.039 0.000 1.167 14 W HN 0.586 nan 8.180 nan 0.000 0.553 15 T N 2.503 116.532 114.554 -0.876 0.000 3.541 15 T HA 0.346 4.696 4.350 -0.000 0.000 0.309 15 T C 0.386 174.396 174.700 -1.151 0.000 0.973 15 T CA -0.106 61.500 62.100 -0.825 0.000 0.993 15 T CB -0.495 68.152 68.868 -0.369 0.000 1.206 15 T HN 0.558 nan 8.240 nan 0.000 0.489 16 G N 1.014 108.555 108.800 -2.098 0.000 2.508 16 G HA2 0.563 4.523 3.960 -0.000 0.000 0.278 16 G HA3 0.563 4.523 3.960 -0.000 0.000 0.278 16 G C -0.566 173.950 174.900 -0.639 0.000 1.389 16 G CA -0.206 44.232 45.100 -1.102 0.000 1.050 16 G HN 0.778 nan 8.290 nan 0.000 0.522 17 V N -0.648 119.201 119.914 -0.107 0.000 2.628 17 V HA 0.639 4.759 4.120 -0.000 0.000 0.306 17 V C -0.583 175.557 176.094 0.077 0.000 1.045 17 V CA -1.060 61.267 62.300 0.044 0.000 0.905 17 V CB 1.591 33.493 31.823 0.132 0.000 0.997 17 V HN 0.517 nan 8.190 nan 0.000 0.436 18 L N 5.267 126.502 121.223 0.021 0.000 2.259 18 L HA 0.474 4.814 4.340 -0.000 0.000 0.288 18 L C -0.385 176.295 176.870 -0.317 0.000 1.051 18 L CA -0.258 54.432 54.840 -0.250 0.000 0.824 18 L CB 1.116 42.932 42.059 -0.405 0.000 1.206 18 L HN 0.684 nan 8.230 nan 0.000 0.429 19 D N 2.985 123.171 120.400 -0.356 0.000 2.524 19 D HA 0.082 4.722 4.640 -0.000 0.000 0.222 19 D C 0.702 176.896 176.300 -0.176 0.000 1.142 19 D CA -0.366 53.506 54.000 -0.214 0.000 0.973 19 D CB 0.410 41.048 40.800 -0.269 0.000 1.025 19 D HN 0.351 nan 8.370 nan 0.000 0.519 20 W N 1.459 122.739 121.300 -0.033 0.000 2.374 20 W HA -0.085 4.575 4.660 -0.000 0.000 0.288 20 W C 1.708 178.211 176.519 -0.027 0.000 1.218 20 W CA 0.305 57.636 57.345 -0.024 0.000 1.245 20 W CB 0.193 29.649 29.460 -0.007 0.000 1.126 20 W HN 0.293 nan 8.180 nan 0.000 0.545 21 D N -0.310 120.204 120.400 0.190 0.000 2.213 21 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 21 D C 0.862 177.186 176.300 0.040 0.000 0.961 21 D CA 0.368 54.432 54.000 0.107 0.000 0.853 21 D CB -0.513 40.339 40.800 0.086 0.000 0.967 21 D HN -0.052 nan 8.370 nan 0.000 0.496 22 L N 2.069 123.283 121.223 -0.015 0.000 2.640 22 L HA -0.104 4.236 4.340 -0.000 0.000 0.280 22 L C 1.197 178.053 176.870 -0.022 0.000 1.229 22 L CA 0.736 55.539 54.840 -0.062 0.000 0.919 22 L CB 0.256 42.219 42.059 -0.161 0.000 1.168 22 L HN -0.139 nan 8.230 nan 0.000 0.496 23 R N 2.592 123.089 120.500 -0.004 0.000 2.517 23 R HA 0.233 4.573 4.340 -0.000 0.000 0.265 23 R C -0.210 176.111 176.300 0.036 0.000 0.921 23 R CA -0.042 56.073 56.100 0.025 0.000 1.054 23 R CB -0.045 30.274 30.300 0.032 0.000 1.340 23 R HN 0.723 nan 8.270 nan 0.000 0.551 24 N N 0.331 119.048 118.700 0.027 0.000 2.629 24 N HA 0.021 4.761 4.740 -0.000 0.000 0.277 24 N C -2.043 173.511 175.510 0.073 0.000 1.188 24 N CA -0.384 52.697 53.050 0.051 0.000 0.835 24 N CB 0.727 39.239 38.487 0.041 0.000 1.420 24 N HN -0.115 nan 8.380 nan 0.000 0.542 25 Y N 5.736 125.945 120.300 -0.152 0.000 2.700 25 Y HA 0.232 4.782 4.550 -0.000 0.000 0.333 25 Y C 0.067 175.685 175.900 -0.471 0.000 1.036 25 Y CA -0.958 56.947 58.100 -0.325 0.000 1.287 25 Y CB -0.718 37.407 38.460 -0.557 0.000 1.132 25 Y HN 0.671 nan 8.280 nan 0.000 0.510 26 H N 2.948 122.068 119.070 0.084 0.000 2.496 26 H HA -0.223 4.333 4.556 -0.000 0.000 0.323 26 H C 0.950 176.264 175.328 -0.024 0.000 1.054 26 H CA 0.795 56.838 56.048 -0.008 0.000 1.095 26 H CB -1.622 28.101 29.762 -0.064 0.000 1.595 26 H HN 1.140 nan 8.280 nan 0.000 0.388 27 G N 0.267 109.100 108.800 0.055 0.000 2.162 27 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.260 27 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.260 27 G C -0.130 174.758 174.900 -0.019 0.000 0.976 27 G CA 0.437 45.529 45.100 -0.014 0.000 0.655 27 G HN 0.877 nan 8.290 nan 0.000 0.533 28 Y N 2.717 122.941 120.300 -0.126 0.000 2.353 28 Y HA 0.520 5.070 4.550 -0.000 0.000 0.340 28 Y C 1.013 176.878 175.900 -0.058 0.000 0.972 28 Y CA -0.111 57.931 58.100 -0.097 0.000 1.157 28 Y CB 1.050 39.409 38.460 -0.168 0.000 1.157 28 Y HN 0.302 nan 8.280 nan 0.000 0.495 29 T N 5.326 119.907 114.554 0.045 0.000 2.889 29 T HA 0.648 4.998 4.350 -0.000 0.000 0.291 29 T C -0.709 174.112 174.700 0.202 0.000 0.995 29 T CA -0.530 61.626 62.100 0.093 0.000 1.092 29 T CB 1.160 70.037 68.868 0.016 0.000 0.954 29 T HN 0.585 nan 8.240 nan 0.000 0.506 30 L N -0.360 120.965 121.223 0.171 0.000 2.765 30 L HA 0.594 4.934 4.340 -0.000 0.000 0.263 30 L C -0.617 176.316 176.870 0.105 0.000 1.068 30 L CA -1.064 53.883 54.840 0.179 0.000 0.903 30 L CB 1.667 43.840 42.059 0.189 0.000 1.512 30 L HN 0.424 nan 8.230 nan 0.000 0.404 31 Q N 1.111 120.973 119.800 0.104 0.000 2.842 31 Q HA 0.547 4.887 4.340 -0.000 0.000 0.323 31 Q C -0.094 175.948 176.000 0.070 0.000 1.111 31 Q CA 0.442 56.297 55.803 0.087 0.000 1.047 31 Q CB 1.073 29.870 28.738 0.099 0.000 1.280 31 Q HN 1.090 nan 8.270 nan 0.000 0.475 32 G N 0.817 109.634 108.800 0.028 0.000 2.712 32 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 32 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 32 G C -0.572 174.275 174.900 -0.088 0.000 1.321 32 G CA -0.131 44.947 45.100 -0.035 0.000 0.813 32 G HN 0.381 nan 8.290 nan 0.000 0.599 33 T N -0.834 113.601 114.554 -0.197 0.000 2.778 33 T HA 0.919 5.269 4.350 -0.000 0.000 0.293 33 T C 0.340 174.835 174.700 -0.342 0.000 1.144 33 T CA 0.909 62.900 62.100 -0.182 0.000 1.010 33 T CB 1.636 70.415 68.868 -0.149 0.000 1.325 33 T HN 2.126 nan 8.240 nan 0.000 0.515 34 T N 0.019 114.424 114.554 -0.248 0.000 2.924 34 T HA 0.732 5.082 4.350 -0.000 0.000 0.291 34 T C -1.719 172.744 174.700 -0.394 0.000 1.045 34 T CA -0.594 61.317 62.100 -0.316 0.000 1.015 34 T CB 1.130 69.958 68.868 -0.066 0.000 1.103 34 T HN 0.471 nan 8.240 nan 0.000 0.496 35 Y N 1.167 121.507 120.300 0.067 0.000 2.464 35 Y HA 0.439 4.989 4.550 -0.000 0.000 0.326 35 Y C 0.145 176.038 175.900 -0.012 0.000 0.969 35 Y CA -1.517 56.572 58.100 -0.018 0.000 1.270 35 Y CB 0.629 39.052 38.460 -0.062 0.000 1.103 35 Y HN 0.546 nan 8.280 nan 0.000 0.491 36 N N 2.815 121.590 118.700 0.126 0.000 2.411 36 N HA 0.489 5.229 4.740 -0.000 0.000 0.259 36 N C -0.401 174.924 175.510 -0.308 0.000 1.103 36 N CA -0.145 52.883 53.050 -0.036 0.000 0.954 36 N CB 1.523 40.101 38.487 0.152 0.000 1.085 36 N HN 0.693 nan 8.380 nan 0.000 0.485 37 A N 2.752 125.232 122.820 -0.567 0.000 2.324 37 A HA 0.674 4.994 4.320 -0.000 0.000 0.330 37 A C -1.226 175.961 177.584 -0.661 0.000 1.165 37 A CA -0.575 51.201 52.037 -0.435 0.000 0.813 37 A CB 0.653 19.491 19.000 -0.270 0.000 1.197 37 A HN 0.579 nan 8.150 nan 0.000 0.484 38 Y N 0.812 121.073 120.300 -0.064 0.000 2.364 38 Y HA 0.524 5.074 4.550 -0.000 0.000 0.340 38 Y C -0.270 175.577 175.900 -0.087 0.000 0.975 38 Y CA -0.596 57.481 58.100 -0.037 0.000 1.089 38 Y CB 1.931 40.368 38.460 -0.038 0.000 1.192 38 Y HN 0.589 nan 8.280 nan 0.000 0.454 39 L N 4.366 125.668 121.223 0.131 0.000 2.257 39 L HA 0.619 4.959 4.340 -0.000 0.000 0.290 39 L C -1.076 175.878 176.870 0.141 0.000 1.044 39 L CA -0.356 54.532 54.840 0.079 0.000 0.810 39 L CB 0.655 42.741 42.059 0.045 0.000 1.193 39 L HN 0.480 nan 8.230 nan 0.000 0.425 40 V N 4.469 124.414 119.914 0.052 0.000 2.409 40 V HA 0.385 4.505 4.120 -0.000 0.000 0.291 40 V C -0.712 175.418 176.094 0.059 0.000 1.020 40 V CA -0.536 61.801 62.300 0.063 0.000 0.848 40 V CB 1.387 33.194 31.823 -0.027 0.000 0.990 40 V HN 0.852 nan 8.190 nan 0.000 0.430 41 C N 4.468 123.824 119.300 0.093 0.000 2.322 41 C HA 0.803 5.263 4.460 -0.000 0.000 0.324 41 C C 1.090 176.118 174.990 0.063 0.000 1.249 41 C CA -0.788 58.273 59.018 0.072 0.000 1.453 41 C CB 0.291 28.086 27.740 0.092 0.000 2.145 41 C HN 1.003 nan 8.230 nan 0.000 0.466 42 G N 1.782 110.610 108.800 0.047 0.000 2.574 42 G HA2 0.357 4.317 3.960 -0.000 0.000 0.248 42 G HA3 0.357 4.317 3.960 -0.000 0.000 0.248 42 G C 0.070 174.991 174.900 0.035 0.000 1.422 42 G CA -0.086 45.037 45.100 0.039 0.000 1.051 42 G HN 0.644 nan 8.290 nan 0.000 0.560 43 D N -1.520 118.897 120.400 0.029 0.000 2.305 43 D HA 0.101 4.741 4.640 -0.000 0.000 0.206 43 D C 1.791 178.105 176.300 0.023 0.000 0.974 43 D CA 0.748 54.763 54.000 0.024 0.000 0.871 43 D CB 0.594 41.406 40.800 0.020 0.000 0.947 43 D HN 0.414 nan 8.370 nan 0.000 0.516 44 E N -0.040 120.179 120.200 0.032 0.000 2.228 44 E HA 0.215 4.565 4.350 -0.000 0.000 0.197 44 E C 0.723 177.343 176.600 0.034 0.000 0.909 44 E CA 0.420 56.842 56.400 0.036 0.000 0.911 44 E CB 0.336 30.067 29.700 0.052 0.000 0.887 44 E HN 0.081 nan 8.360 nan 0.000 0.481 45 G N -0.341 108.497 108.800 0.064 0.000 2.733 45 G HA2 0.565 4.525 3.960 -0.000 0.000 0.288 45 G HA3 0.565 4.525 3.960 -0.000 0.000 0.288 45 G C -1.297 173.633 174.900 0.050 0.000 1.373 45 G CA -0.326 44.808 45.100 0.056 0.000 0.895 45 G HN 0.430 nan 8.290 nan 0.000 0.479 46 V N -2.423 117.484 119.914 -0.012 0.000 2.588 46 V HA 0.903 5.023 4.120 -0.000 0.000 0.304 46 V C 0.070 176.177 176.094 0.021 0.000 1.042 46 V CA -0.865 61.426 62.300 -0.015 0.000 0.877 46 V CB 1.023 32.792 31.823 -0.089 0.000 0.996 46 V HN 1.492 nan 8.190 nan 0.000 0.425 47 A N 4.654 127.505 122.820 0.053 0.000 2.325 47 A HA 0.913 5.233 4.320 -0.000 0.000 0.333 47 A C -0.879 176.695 177.584 -0.016 0.000 1.155 47 A CA -0.705 51.366 52.037 0.057 0.000 0.814 47 A CB 1.555 20.567 19.000 0.020 0.000 1.206 47 A HN 1.597 nan 8.150 nan 0.000 0.482 48 L N 3.171 124.388 121.223 -0.011 0.000 2.318 48 L HA 0.568 4.908 4.340 -0.000 0.000 0.277 48 L C -1.051 175.819 176.870 -0.000 0.000 1.008 48 L CA -0.201 54.627 54.840 -0.020 0.000 0.846 48 L CB 0.510 42.559 42.059 -0.017 0.000 1.220 48 L HN 0.559 nan 8.230 nan 0.000 0.423 49 I N 5.882 126.428 120.570 -0.040 0.000 2.363 49 I HA 0.247 4.417 4.170 -0.000 0.000 0.292 49 I C -0.160 175.995 176.117 0.063 0.000 1.075 49 I CA 0.010 61.300 61.300 -0.017 0.000 1.333 49 I CB -0.066 37.801 38.000 -0.221 0.000 1.415 49 I HN 0.677 nan 8.210 nan 0.000 0.502 50 D N 4.044 124.499 120.400 0.092 0.000 10.448 50 D HA -0.205 4.435 4.640 -0.000 0.000 0.360 50 D C -0.395 175.944 176.300 0.065 0.000 3.024 50 D CA 0.892 54.958 54.000 0.109 0.000 2.424 50 D CB -0.118 40.775 40.800 0.155 0.000 1.149 50 D HN 0.795 nan 8.370 nan 0.000 1.024 51 N N -1.470 117.276 118.700 0.076 0.000 3.249 51 N HA 0.551 5.291 4.740 -0.000 0.000 0.254 51 N C -0.637 174.879 175.510 0.009 0.000 1.527 51 N CA 0.135 53.200 53.050 0.026 0.000 0.919 51 N CB 0.734 39.237 38.487 0.028 0.000 3.007 51 N HN 0.680 nan 8.380 nan 0.000 0.380 52 S N -1.918 113.749 115.700 -0.054 0.000 2.671 52 S HA 0.385 4.855 4.470 -0.000 0.000 0.277 52 S C -1.259 173.168 174.600 -0.288 0.000 1.165 52 S CA -0.808 57.291 58.200 -0.170 0.000 0.822 52 S CB 0.917 64.093 63.200 -0.040 0.000 1.150 52 S HN 0.451 nan 8.310 nan 0.000 0.479 53 Y N 2.467 122.343 120.300 -0.707 0.000 2.805 53 Y HA 0.257 4.807 4.550 -0.000 0.000 0.337 53 Y C -2.343 173.428 175.900 -0.216 0.000 1.252 53 Y CA -0.351 57.428 58.100 -0.534 0.000 1.515 53 Y CB 0.244 38.280 38.460 -0.706 0.000 1.305 53 Y HN 0.472 nan 8.280 nan 0.000 0.600 54 P HA 0.061 nan 4.420 nan 0.000 0.265 54 P C 0.383 177.668 177.300 -0.025 0.000 1.187 54 P CA 1.997 64.937 63.100 -0.268 0.000 0.766 54 P CB 0.419 31.912 31.700 -0.344 0.000 0.820 55 G N 1.800 110.611 108.800 0.018 0.000 2.176 55 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.253 55 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.253 55 G C 0.534 175.503 174.900 0.115 0.000 0.979 55 G CA 0.458 45.606 45.100 0.080 0.000 0.641 55 G HN 0.716 nan 8.290 nan 0.000 0.530 56 T N -2.286 112.341 114.554 0.122 0.000 3.243 56 T HA 0.528 4.878 4.350 -0.000 0.000 0.264 56 T C 1.349 176.118 174.700 0.115 0.000 1.000 56 T CA 0.436 62.607 62.100 0.119 0.000 0.901 56 T CB 0.030 68.976 68.868 0.130 0.000 1.083 56 T HN 0.429 nan 8.240 nan 0.000 0.559 57 F N 2.809 122.742 119.950 -0.028 0.000 2.084 57 F HA 0.023 4.550 4.527 -0.000 0.000 0.296 57 F C 1.792 177.565 175.800 -0.044 0.000 1.111 57 F CA 1.155 59.124 58.000 -0.051 0.000 1.224 57 F CB -0.370 38.589 39.000 -0.068 0.000 0.991 57 F HN 0.152 nan 8.300 nan 0.000 0.471 58 D N 0.226 120.559 120.400 -0.111 0.000 2.172 58 D HA -0.265 4.375 4.640 -0.000 0.000 0.196 58 D C 2.135 178.314 176.300 -0.202 0.000 0.999 58 D CA 1.727 55.605 54.000 -0.202 0.000 0.856 58 D CB -0.282 40.489 40.800 -0.049 0.000 0.934 58 D HN 0.557 nan 8.370 nan 0.000 0.453 59 E N 0.379 120.508 120.200 -0.119 0.000 2.046 59 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 59 E C 2.433 178.932 176.600 -0.168 0.000 0.982 59 E CA 0.255 56.599 56.400 -0.094 0.000 0.800 59 E CB -0.077 29.613 29.700 -0.015 0.000 0.756 59 E HN 0.168 nan 8.360 nan 0.000 0.449 60 L N 0.423 121.525 121.223 -0.202 0.000 2.046 60 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 60 L C 2.522 179.206 176.870 -0.309 0.000 1.077 60 L CA 1.376 56.068 54.840 -0.247 0.000 0.747 60 L CB -0.209 41.749 42.059 -0.168 0.000 0.896 60 L HN 0.268 nan 8.230 nan 0.000 0.432 61 M N -0.133 119.169 119.600 -0.498 0.000 2.175 61 M HA -0.082 4.398 4.480 -0.000 0.000 0.264 61 M C 2.205 178.328 176.300 -0.294 0.000 1.063 61 M CA 1.860 56.843 55.300 -0.529 0.000 1.119 61 M CB -0.876 31.100 32.600 -1.039 0.000 1.377 61 M HN 0.357 nan 8.290 nan 0.000 0.415 62 A N 0.098 122.768 122.820 -0.251 0.000 1.877 62 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 62 A C 2.309 179.818 177.584 -0.125 0.000 1.186 62 A CA 1.847 53.793 52.037 -0.152 0.000 0.620 62 A CB -0.576 18.357 19.000 -0.112 0.000 0.822 62 A HN 0.571 nan 8.150 nan 0.000 0.443 63 R N -0.381 120.029 120.500 -0.150 0.000 2.066 63 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 63 R C 2.192 178.406 176.300 -0.142 0.000 1.131 63 R CA 1.654 57.670 56.100 -0.140 0.000 0.955 63 R CB -0.868 29.299 30.300 -0.223 0.000 0.851 63 R HN 0.595 nan 8.270 nan 0.000 0.432 64 V N -0.484 119.338 119.914 -0.155 0.000 2.490 64 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 64 V C 1.663 177.697 176.094 -0.100 0.000 1.061 64 V CA 1.752 63.980 62.300 -0.119 0.000 1.064 64 V CB -0.535 31.247 31.823 -0.069 0.000 0.670 64 V HN 0.249 nan 8.190 nan 0.000 0.461 65 E N 0.431 120.579 120.200 -0.087 0.000 2.107 65 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 65 E C 1.945 178.493 176.600 -0.087 0.000 0.982 65 E CA 1.374 57.733 56.400 -0.068 0.000 0.809 65 E CB -0.197 29.466 29.700 -0.061 0.000 0.756 65 E HN 0.758 nan 8.360 nan 0.000 0.459 66 D N 0.776 121.120 120.400 -0.094 0.000 2.084 66 D HA -0.129 4.511 4.640 -0.000 0.000 0.194 66 D C 1.949 178.150 176.300 -0.165 0.000 0.990 66 D CA 1.649 55.594 54.000 -0.091 0.000 0.826 66 D CB -0.125 40.643 40.800 -0.053 0.000 0.971 66 D HN 0.103 nan 8.370 nan 0.000 0.453 67 A N 0.014 122.685 122.820 -0.247 0.000 1.948 67 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 67 A C 2.484 179.791 177.584 -0.462 0.000 1.177 67 A CA 1.355 53.065 52.037 -0.544 0.000 0.636 67 A CB -0.870 17.815 19.000 -0.526 0.000 0.815 67 A HN 0.390 nan 8.150 nan 0.000 0.449 68 L N -1.510 119.563 121.223 -0.250 0.000 2.005 68 L HA -0.213 4.127 4.340 -0.000 0.000 0.207 68 L C 2.842 179.635 176.870 -0.128 0.000 1.072 68 L CA 1.760 56.500 54.840 -0.166 0.000 0.744 68 L CB -0.498 41.499 42.059 -0.104 0.000 0.895 68 L HN 0.460 nan 8.230 nan 0.000 0.433 69 Q N -0.008 119.730 119.800 -0.104 0.000 2.077 69 Q HA -0.276 4.064 4.340 -0.000 0.000 0.206 69 Q C 2.191 178.148 176.000 -0.070 0.000 0.989 69 Q CA 1.893 57.654 55.803 -0.070 0.000 0.853 69 Q CB -0.157 28.550 28.738 -0.052 0.000 0.907 69 Q HN 0.409 nan 8.270 nan 0.000 0.418 70 Q N -1.189 118.546 119.800 -0.109 0.000 2.061 70 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 70 Q C 1.946 177.920 176.000 -0.043 0.000 0.984 70 Q CA 1.700 57.457 55.803 -0.077 0.000 0.846 70 Q CB -0.172 28.494 28.738 -0.120 0.000 0.902 70 Q HN 0.322 nan 8.270 nan 0.000 0.421 71 V N -0.661 119.186 119.914 -0.111 0.000 3.541 71 V HA 0.089 4.209 4.120 -0.000 0.000 0.267 71 V C 0.936 177.025 176.094 -0.009 0.000 1.213 71 V CA 1.240 63.533 62.300 -0.011 0.000 1.149 71 V CB 0.105 31.931 31.823 0.004 0.000 0.822 71 V HN 0.676 nan 8.190 nan 0.000 0.462 72 G N 0.016 108.796 108.800 -0.033 0.000 2.136 72 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.242 72 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.242 72 G C 0.058 174.943 174.900 -0.026 0.000 0.989 72 G CA 0.466 45.553 45.100 -0.021 0.000 0.682 72 G HN 0.358 nan 8.290 nan 0.000 0.522 73 M N -0.158 119.416 119.600 -0.043 0.000 2.528 73 M HA 0.435 4.915 4.480 -0.000 0.000 0.318 73 M C 1.235 177.504 176.300 -0.051 0.000 1.195 73 M CA -0.637 54.635 55.300 -0.046 0.000 1.000 73 M CB 1.194 33.760 32.600 -0.056 0.000 1.615 73 M HN 0.006 nan 8.290 nan 0.000 0.469 74 E N 1.702 121.873 120.200 -0.048 0.000 2.051 74 E HA 0.001 4.351 4.350 -0.000 0.000 0.189 74 E C 0.544 177.127 176.600 -0.028 0.000 0.979 74 E CA 0.991 57.371 56.400 -0.032 0.000 0.803 74 E CB 0.314 29.999 29.700 -0.025 0.000 0.761 74 E HN 0.705 nan 8.360 nan 0.000 0.451 75 R N -1.841 118.608 120.500 -0.086 0.000 2.756 75 R HA 0.414 4.754 4.340 -0.000 0.000 0.273 75 R C -1.146 174.903 176.300 -0.419 0.000 1.030 75 R CA -0.710 55.297 56.100 -0.154 0.000 0.887 75 R CB 0.690 31.004 30.300 0.024 0.000 1.274 75 R HN -0.196 nan 8.270 nan 0.000 0.461 76 V N 1.955 121.285 119.914 -0.974 0.000 2.508 76 V HA 0.077 4.197 4.120 -0.000 0.000 0.281 76 V C 0.129 175.827 176.094 -0.661 0.000 1.041 76 V CA 0.271 62.034 62.300 -0.895 0.000 1.016 76 V CB 1.248 32.384 31.823 -1.144 0.000 0.984 76 V HN 0.774 nan 8.190 nan 0.000 0.478 77 D N 2.758 122.870 120.400 -0.480 0.000 2.338 77 D HA 0.096 4.736 4.640 -0.000 0.000 0.208 77 D C -0.496 175.345 176.300 -0.766 0.000 0.997 77 D CA 1.064 54.688 54.000 -0.626 0.000 0.880 77 D CB 0.665 41.007 40.800 -0.764 0.000 0.980 77 D HN 0.576 nan 8.370 nan 0.000 0.509 78 Y N 0.057 120.316 120.300 -0.068 0.000 2.470 78 Y HA 0.447 4.997 4.550 -0.000 0.000 0.341 78 Y C -0.195 175.713 175.900 0.014 0.000 1.021 78 Y CA -0.815 57.298 58.100 0.022 0.000 1.025 78 Y CB 1.775 40.195 38.460 -0.068 0.000 1.266 78 Y HN -0.309 nan 8.280 nan 0.000 0.448 79 I N 4.806 125.525 120.570 0.248 0.000 2.339 79 I HA 0.433 4.603 4.170 -0.000 0.000 0.290 79 I C -0.784 175.455 176.117 0.202 0.000 0.994 79 I CA -0.536 60.862 61.300 0.163 0.000 1.191 79 I CB 1.123 39.191 38.000 0.113 0.000 1.343 79 I HN 0.474 nan 8.210 nan 0.000 0.458 80 I N 6.294 126.956 120.570 0.154 0.000 2.378 80 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 80 I C -0.336 175.867 176.117 0.144 0.000 0.992 80 I CA -0.434 60.968 61.300 0.171 0.000 1.154 80 I CB 1.345 39.456 38.000 0.185 0.000 1.315 80 I HN 0.429 nan 8.210 nan 0.000 0.448 81 Q N 5.244 125.131 119.800 0.145 0.000 2.413 81 Q HA 0.328 4.668 4.340 -0.000 0.000 0.258 81 Q C -0.087 176.013 176.000 0.166 0.000 1.037 81 Q CA -0.214 55.680 55.803 0.151 0.000 0.764 81 Q CB 1.478 30.305 28.738 0.149 0.000 1.217 81 Q HN 0.615 nan 8.270 nan 0.000 0.490 82 N N 0.526 119.338 118.700 0.188 0.000 2.354 82 N HA -0.088 4.652 4.740 -0.000 0.000 0.179 82 N C -0.182 175.446 175.510 0.196 0.000 1.021 82 N CA 0.815 53.984 53.050 0.199 0.000 0.887 82 N CB 0.291 38.916 38.487 0.230 0.000 0.974 82 N HN 0.369 nan 8.380 nan 0.000 0.437 83 H N -0.794 118.325 119.070 0.082 0.000 2.856 83 H HA 0.183 4.739 4.556 -0.000 0.000 0.355 83 H C 0.396 175.767 175.328 0.071 0.000 1.079 83 H CA -1.127 54.947 56.048 0.043 0.000 1.240 83 H CB 1.416 31.135 29.762 -0.072 0.000 1.701 83 H HN -0.133 nan 8.280 nan 0.000 0.527 84 V N 1.295 121.390 119.914 0.302 0.000 3.041 84 V HA 0.122 4.242 4.120 -0.000 0.000 0.260 84 V C 0.862 176.883 176.094 -0.123 0.000 1.105 84 V CA 0.619 62.998 62.300 0.132 0.000 1.125 84 V CB -0.551 31.410 31.823 0.230 0.000 0.730 84 V HN 0.693 nan 8.190 nan 0.000 0.479 85 E N 1.946 121.874 120.200 -0.453 0.000 2.502 85 E HA -0.067 4.283 4.350 -0.000 0.000 0.261 85 E C 1.349 177.815 176.600 -0.224 0.000 0.974 85 E CA 0.342 56.418 56.400 -0.539 0.000 0.936 85 E CB 0.692 29.705 29.700 -1.145 0.000 0.926 85 E HN 0.708 nan 8.360 nan 0.000 0.459 86 K N 3.778 124.102 120.400 -0.127 0.000 2.442 86 K HA -0.148 4.172 4.320 -0.000 0.000 0.198 86 K C 0.631 177.108 176.600 -0.204 0.000 1.042 86 K CA 1.418 57.641 56.287 -0.105 0.000 0.958 86 K CB 0.115 32.588 32.500 -0.045 0.000 0.766 86 K HN 0.467 nan 8.250 nan 0.000 0.474 87 D N 0.481 120.763 120.400 -0.196 0.000 2.363 87 D HA -0.167 4.473 4.640 -0.000 0.000 0.220 87 D C 0.925 176.771 176.300 -0.758 0.000 0.994 87 D CA 0.751 54.473 54.000 -0.464 0.000 0.890 87 D CB -0.212 40.405 40.800 -0.305 0.000 0.906 87 D HN 0.478 nan 8.370 nan 0.000 0.530 88 H N -0.521 118.490 119.070 -0.099 0.000 3.170 88 H HA 0.208 4.764 4.556 -0.000 0.000 0.264 88 H C 0.997 176.295 175.328 -0.050 0.000 1.113 88 H CA 0.669 56.685 56.048 -0.052 0.000 1.194 88 H CB 0.901 30.668 29.762 0.008 0.000 1.553 88 H HN 0.245 nan 8.280 nan 0.000 0.538 89 S N -0.576 115.120 115.700 -0.006 0.000 2.733 89 S HA 0.147 4.617 4.470 -0.000 0.000 0.247 89 S C 1.928 176.447 174.600 -0.135 0.000 1.043 89 S CA 0.255 58.450 58.200 -0.008 0.000 1.066 89 S CB 0.246 63.511 63.200 0.107 0.000 1.045 89 S HN 0.230 nan 8.310 nan 0.000 0.586 90 G N 2.042 110.748 108.800 -0.156 0.000 2.470 90 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.220 90 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.220 90 G C 1.089 175.833 174.900 -0.260 0.000 1.121 90 G CA 1.256 46.227 45.100 -0.216 0.000 0.766 90 G HN 1.196 nan 8.290 nan 0.000 0.553 91 V N -1.834 117.953 119.914 -0.212 0.000 3.085 91 V HA 0.450 4.570 4.120 -0.000 0.000 0.345 91 V C 1.716 177.660 176.094 -0.250 0.000 1.397 91 V CA -0.242 61.939 62.300 -0.197 0.000 1.165 91 V CB 0.365 32.207 31.823 0.032 0.000 1.153 91 V HN 0.086 nan 8.190 nan 0.000 0.495 92 L N 0.554 121.584 121.223 -0.321 0.000 2.141 92 L HA 0.041 4.381 4.340 -0.000 0.000 0.209 92 L C 2.377 179.093 176.870 -0.256 0.000 1.094 92 L CA 2.368 57.056 54.840 -0.252 0.000 0.763 92 L CB -0.259 41.644 42.059 -0.259 0.000 0.908 92 L HN 0.254 nan 8.230 nan 0.000 0.437 93 V N -0.329 119.361 119.914 -0.372 0.000 2.295 93 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 93 V C 2.356 178.289 176.094 -0.268 0.000 1.049 93 V CA 2.308 64.462 62.300 -0.244 0.000 1.024 93 V CB -0.269 31.413 31.823 -0.235 0.000 0.648 93 V HN 0.658 nan 8.190 nan 0.000 0.447 94 E N -0.317 119.599 120.200 -0.473 0.000 2.204 94 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 94 E C 2.090 178.231 176.600 -0.764 0.000 0.989 94 E CA 1.252 57.156 56.400 -0.826 0.000 0.824 94 E CB -0.115 28.673 29.700 -1.520 0.000 0.756 94 E HN 0.596 nan 8.360 nan 0.000 0.477 95 L N 0.053 121.050 121.223 -0.376 0.000 2.095 95 L HA -0.112 4.228 4.340 -0.000 0.000 0.204 95 L C 2.648 179.522 176.870 0.008 0.000 1.080 95 L CA 0.944 55.759 54.840 -0.041 0.000 0.759 95 L CB -0.379 41.770 42.059 0.150 0.000 0.914 95 L HN 0.298 nan 8.230 nan 0.000 0.439 96 H N 0.463 119.467 119.070 -0.109 0.000 2.421 96 H HA -0.159 4.397 4.556 -0.000 0.000 0.298 96 H C 2.345 177.611 175.328 -0.104 0.000 1.087 96 H CA 1.365 57.365 56.048 -0.080 0.000 1.330 96 H CB 0.332 30.028 29.762 -0.110 0.000 1.388 96 H HN 0.208 nan 8.280 nan 0.000 0.526 97 R N 0.274 120.602 120.500 -0.287 0.000 2.075 97 R HA -0.091 4.249 4.340 -0.000 0.000 0.226 97 R C 2.479 178.590 176.300 -0.314 0.000 1.114 97 R CA 0.889 56.795 56.100 -0.323 0.000 0.972 97 R CB -0.020 30.130 30.300 -0.250 0.000 0.869 97 R HN 0.131 nan 8.270 nan 0.000 0.437 98 R N -0.154 120.117 120.500 -0.382 0.000 2.115 98 R HA -0.049 4.291 4.340 -0.000 0.000 0.230 98 R C -0.240 175.639 176.300 -0.702 0.000 1.111 98 R CA 1.282 57.047 56.100 -0.558 0.000 0.976 98 R CB 0.052 29.954 30.300 -0.663 0.000 0.870 98 R HN 0.066 nan 8.270 nan 0.000 0.445 99 F N 0.946 120.851 119.950 -0.075 0.000 2.550 99 F HA 0.404 4.931 4.527 -0.000 0.000 0.348 99 F C -1.729 173.991 175.800 -0.132 0.000 1.219 99 F CA -2.828 55.124 58.000 -0.079 0.000 1.203 99 F CB 1.874 40.847 39.000 -0.044 0.000 1.436 99 F HN -0.016 nan 8.300 nan 0.000 0.541 100 P HA -0.093 nan 4.420 nan 0.000 0.234 100 P C 0.747 178.016 177.300 -0.052 0.000 1.167 100 P CA 1.159 64.146 63.100 -0.188 0.000 0.763 100 P CB 0.553 32.146 31.700 -0.178 0.000 0.835 101 E N -0.050 120.158 120.200 0.015 0.000 2.307 101 E HA 0.132 4.482 4.350 -0.000 0.000 0.195 101 E C 1.039 177.656 176.600 0.029 0.000 0.975 101 E CA 0.065 56.477 56.400 0.020 0.000 0.878 101 E CB -0.208 29.494 29.700 0.002 0.000 0.845 101 E HN 0.127 nan 8.360 nan 0.000 0.488 102 A N 4.110 126.958 122.820 0.047 0.000 2.473 102 A HA 0.266 4.586 4.320 -0.000 0.000 0.282 102 A C -2.256 175.383 177.584 0.092 0.000 1.163 102 A CA -1.045 51.008 52.037 0.027 0.000 0.827 102 A CB -0.401 18.600 19.000 0.002 0.000 1.098 102 A HN -0.136 nan 8.150 nan 0.000 0.515 103 P HA 0.126 nan 4.420 nan 0.000 0.267 103 P C -0.446 176.903 177.300 0.081 0.000 1.200 103 P CA 0.226 63.371 63.100 0.074 0.000 0.772 103 P CB 0.426 32.204 31.700 0.130 0.000 0.855 104 I N 2.974 123.442 120.570 -0.171 0.000 2.325 104 I HA 0.199 4.369 4.170 -0.000 0.000 0.291 104 I C -0.174 175.861 176.117 -0.137 0.000 1.019 104 I CA -0.402 60.794 61.300 -0.173 0.000 1.302 104 I CB 0.243 37.923 38.000 -0.533 0.000 1.401 104 I HN 0.308 nan 8.210 nan 0.000 0.485 105 Y N 6.123 126.393 120.300 -0.049 0.000 2.369 105 Y HA 0.454 5.004 4.550 -0.000 0.000 0.337 105 Y C 0.362 176.180 175.900 -0.136 0.000 0.961 105 Y CA -0.441 57.590 58.100 -0.115 0.000 1.186 105 Y CB 1.272 39.637 38.460 -0.159 0.000 1.139 105 Y HN 0.731 nan 8.280 nan 0.000 0.494 106 C N -0.598 118.691 119.300 -0.019 0.000 3.316 106 C HA 0.791 5.251 4.460 -0.000 0.000 0.360 106 C C 0.413 175.384 174.990 -0.032 0.000 1.560 106 C CA -0.803 58.221 59.018 0.009 0.000 1.229 106 C CB 0.976 28.790 27.740 0.123 0.000 1.823 106 C HN 0.790 nan 8.230 nan 0.000 0.440 107 T N -1.194 113.363 114.554 0.005 0.000 2.732 107 T HA 0.316 4.666 4.350 -0.000 0.000 0.287 107 T C 0.771 175.471 174.700 -0.001 0.000 0.993 107 T CA 0.378 62.475 62.100 -0.004 0.000 0.966 107 T CB 0.328 69.205 68.868 0.014 0.000 1.047 107 T HN 0.804 nan 8.240 nan 0.000 0.527 108 E N -0.141 120.052 120.200 -0.013 0.000 2.047 108 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 108 E C 2.290 178.873 176.600 -0.028 0.000 0.987 108 E CA 1.173 57.557 56.400 -0.026 0.000 0.799 108 E CB -0.366 29.317 29.700 -0.027 0.000 0.752 108 E HN 0.532 nan 8.360 nan 0.000 0.449 109 V N 1.611 121.519 119.914 -0.009 0.000 2.358 109 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 109 V C 2.488 178.595 176.094 0.022 0.000 1.047 109 V CA 1.581 63.879 62.300 -0.003 0.000 1.035 109 V CB -0.986 30.840 31.823 0.004 0.000 0.658 109 V HN 0.242 nan 8.190 nan 0.000 0.452 110 A N 0.389 123.243 122.820 0.056 0.000 1.927 110 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 110 A C 2.434 180.063 177.584 0.075 0.000 1.185 110 A CA 2.440 54.539 52.037 0.104 0.000 0.639 110 A CB -0.911 18.168 19.000 0.132 0.000 0.820 110 A HN 0.357 nan 8.150 nan 0.000 0.451 111 V N 0.204 120.114 119.914 -0.006 0.000 2.287 111 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 111 V C 2.615 178.594 176.094 -0.191 0.000 1.053 111 V CA 2.314 64.501 62.300 -0.188 0.000 1.027 111 V CB -0.608 31.007 31.823 -0.347 0.000 0.646 111 V HN 0.436 nan 8.190 nan 0.000 0.447 112 K N 0.512 120.843 120.400 -0.116 0.000 2.057 112 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 112 K C 2.222 178.805 176.600 -0.028 0.000 1.049 112 K CA 1.609 57.844 56.287 -0.087 0.000 0.931 112 K CB -1.127 31.331 32.500 -0.070 0.000 0.714 112 K HN 0.555 nan 8.250 nan 0.000 0.440 113 G N 0.621 109.441 108.800 0.033 0.000 2.408 113 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 113 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 113 G C 1.486 176.505 174.900 0.198 0.000 1.150 113 G CA 0.212 45.387 45.100 0.124 0.000 0.776 113 G HN 0.143 nan 8.290 nan 0.000 0.542 114 L N -0.220 121.096 121.223 0.155 0.000 2.179 114 L HA 0.256 4.596 4.340 -0.000 0.000 0.208 114 L C 2.496 179.484 176.870 0.197 0.000 1.096 114 L CA 0.723 55.700 54.840 0.228 0.000 0.779 114 L CB -0.410 41.846 42.059 0.328 0.000 0.922 114 L HN 0.071 nan 8.230 nan 0.000 0.443 115 L N -0.843 120.418 121.223 0.063 0.000 2.156 115 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 115 L C 2.397 179.262 176.870 -0.009 0.000 1.095 115 L CA 1.401 56.252 54.840 0.020 0.000 0.770 115 L CB -0.783 41.217 42.059 -0.098 0.000 0.914 115 L HN 0.165 nan 8.230 nan 0.000 0.439 116 K N -1.418 118.958 120.400 -0.040 0.000 2.155 116 K HA -0.128 4.192 4.320 -0.000 0.000 0.203 116 K C 2.094 178.563 176.600 -0.218 0.000 1.052 116 K CA 1.308 57.528 56.287 -0.113 0.000 0.948 116 K CB -0.087 32.338 32.500 -0.126 0.000 0.728 116 K HN 0.369 nan 8.250 nan 0.000 0.448 117 H N -1.961 116.920 119.070 -0.315 0.000 2.333 117 H HA 0.035 4.591 4.556 -0.000 0.000 0.302 117 H C -0.218 174.665 175.328 -0.741 0.000 1.075 117 H CA 1.632 57.276 56.048 -0.674 0.000 1.348 117 H CB 0.200 29.260 29.762 -1.170 0.000 1.393 117 H HN 0.063 nan 8.280 nan 0.000 0.509 118 Y N -1.183 119.200 120.300 0.138 0.000 2.681 118 Y HA 0.288 4.838 4.550 -0.000 0.000 0.347 118 Y C -2.069 173.862 175.900 0.051 0.000 1.029 118 Y CA -3.141 55.003 58.100 0.073 0.000 1.279 118 Y CB 1.094 39.592 38.460 0.063 0.000 1.096 118 Y HN 0.035 nan 8.280 nan 0.000 0.580 119 P HA -0.157 nan 4.420 nan 0.000 0.222 119 P C 1.399 178.745 177.300 0.076 0.000 1.147 119 P CA 1.686 64.822 63.100 0.061 0.000 0.790 119 P CB 0.286 32.001 31.700 0.026 0.000 0.780 120 S N -0.115 115.646 115.700 0.101 0.000 2.399 120 S HA -0.113 4.357 4.470 -0.000 0.000 0.231 120 S C 1.595 176.242 174.600 0.078 0.000 1.022 120 S CA 1.022 59.272 58.200 0.083 0.000 0.983 120 S CB -1.538 61.711 63.200 0.081 0.000 0.803 120 S HN 0.162 nan 8.310 nan 0.000 0.480 121 L N 2.455 123.735 121.223 0.094 0.000 2.675 121 L HA 0.137 4.477 4.340 -0.000 0.000 0.239 121 L C 2.518 179.475 176.870 0.146 0.000 1.151 121 L CA -0.057 54.817 54.840 0.057 0.000 0.905 121 L CB -0.573 41.573 42.059 0.145 0.000 1.057 121 L HN 0.409 nan 8.230 nan 0.000 0.435 122 R N 0.320 120.877 120.500 0.095 0.000 2.105 122 R HA -0.154 4.186 4.340 -0.000 0.000 0.239 122 R C 0.882 177.233 176.300 0.084 0.000 1.135 122 R CA 1.317 57.459 56.100 0.070 0.000 0.967 122 R CB -0.369 29.952 30.300 0.036 0.000 0.861 122 R HN 0.431 nan 8.270 nan 0.000 0.442 123 E N 0.960 121.208 120.200 0.080 0.000 2.437 123 E HA 0.250 4.600 4.350 -0.000 0.000 0.195 123 E C -0.432 176.224 176.600 0.094 0.000 1.029 123 E CA -0.158 56.293 56.400 0.085 0.000 0.948 123 E CB 1.042 30.790 29.700 0.080 0.000 1.082 123 E HN 0.404 nan 8.360 nan 0.000 0.456 124 A N 1.428 124.272 122.820 0.041 0.000 2.293 124 A HA 0.253 4.573 4.320 -0.000 0.000 0.302 124 A C -0.067 177.522 177.584 0.009 0.000 1.119 124 A CA -0.456 51.504 52.037 -0.128 0.000 0.823 124 A CB 0.732 19.343 19.000 -0.648 0.000 1.097 124 A HN 0.144 nan 8.150 nan 0.000 0.491 125 E N 1.092 121.255 120.200 -0.063 0.000 2.105 125 E HA 0.408 4.758 4.350 -0.000 0.000 0.285 125 E C -1.562 174.939 176.600 -0.166 0.000 1.055 125 E CA -0.098 56.292 56.400 -0.017 0.000 0.843 125 E CB 0.242 29.946 29.700 0.007 0.000 1.067 125 E HN 0.430 nan 8.360 nan 0.000 0.398 126 F N 3.742 123.642 119.950 -0.083 0.000 2.421 126 F HA 0.352 4.879 4.527 -0.000 0.000 0.337 126 F C 0.361 176.041 175.800 -0.199 0.000 1.105 126 F CA -0.819 57.105 58.000 -0.126 0.000 1.049 126 F CB 1.417 40.359 39.000 -0.096 0.000 1.139 126 F HN 0.414 nan 8.300 nan 0.000 0.479 127 M N 3.210 122.678 119.600 -0.220 0.000 2.158 127 M HA 0.256 4.736 4.480 -0.000 0.000 0.326 127 M C -0.379 175.716 176.300 -0.342 0.000 1.014 127 M CA -0.020 55.023 55.300 -0.428 0.000 0.961 127 M CB 0.675 32.656 32.600 -1.033 0.000 1.327 127 M HN 0.465 nan 8.290 nan 0.000 0.393 128 T N 3.800 118.272 114.554 -0.136 0.000 2.829 128 T HA 0.390 4.740 4.350 -0.000 0.000 0.293 128 T C -0.302 174.346 174.700 -0.087 0.000 0.970 128 T CA -0.049 62.002 62.100 -0.082 0.000 1.168 128 T CB -0.214 68.629 68.868 -0.041 0.000 0.911 128 T HN 0.549 nan 8.240 nan 0.000 0.535 129 V N 2.924 122.773 119.914 -0.109 0.000 2.881 129 V HA 0.916 5.036 4.120 -0.000 0.000 0.316 129 V C -0.512 175.565 176.094 -0.028 0.000 1.070 129 V CA -1.119 61.121 62.300 -0.099 0.000 0.976 129 V CB 1.892 33.492 31.823 -0.371 0.000 1.038 129 V HN 0.938 nan 8.190 nan 0.000 0.446 130 K N 0.550 120.975 120.400 0.041 0.000 2.466 130 K HA 0.587 4.907 4.320 -0.000 0.000 0.260 130 K C -0.565 176.103 176.600 0.112 0.000 1.011 130 K CA -0.682 55.641 56.287 0.059 0.000 0.871 130 K CB 1.477 34.000 32.500 0.039 0.000 1.404 130 K HN 0.562 nan 8.250 nan 0.000 0.450 131 T N 0.894 115.501 114.554 0.089 0.000 2.822 131 T HA 0.246 4.596 4.350 -0.000 0.000 0.288 131 T C 1.130 175.888 174.700 0.097 0.000 0.991 131 T CA 1.492 63.650 62.100 0.097 0.000 1.176 131 T CB -0.059 68.843 68.868 0.057 0.000 0.951 131 T HN 0.960 nan 8.240 nan 0.000 0.526 132 G N 3.427 112.296 108.800 0.115 0.000 2.213 132 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.226 132 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.226 132 G C -0.153 174.813 174.900 0.109 0.000 0.992 132 G CA -0.406 44.748 45.100 0.090 0.000 0.632 132 G HN 0.662 nan 8.290 nan 0.000 0.511 133 D N 0.403 120.909 120.400 0.178 0.000 2.372 133 D HA 0.509 5.149 4.640 -0.000 0.000 0.243 133 D C 0.401 176.846 176.300 0.242 0.000 1.121 133 D CA 0.230 54.368 54.000 0.230 0.000 0.898 133 D CB 1.901 42.878 40.800 0.294 0.000 1.202 133 D HN 0.233 nan 8.370 nan 0.000 0.428 134 V N 2.116 122.128 119.914 0.163 0.000 2.604 134 V HA 0.295 4.415 4.120 -0.000 0.000 0.305 134 V C -0.492 175.628 176.094 0.044 0.000 1.043 134 V CA -0.954 61.353 62.300 0.013 0.000 0.888 134 V CB 1.988 33.803 31.823 -0.013 0.000 0.995 134 V HN 0.295 nan 8.190 nan 0.000 0.429 135 L N 3.788 124.940 121.223 -0.117 0.000 2.301 135 L HA 0.598 4.937 4.340 -0.000 0.000 0.278 135 L C -0.374 176.364 176.870 -0.220 0.000 1.022 135 L CA -0.074 54.647 54.840 -0.199 0.000 0.854 135 L CB 0.940 42.772 42.059 -0.378 0.000 1.226 135 L HN 0.674 nan 8.230 nan 0.000 0.429 136 D N 3.775 124.094 120.400 -0.136 0.000 2.371 136 D HA 0.144 4.784 4.640 -0.000 0.000 0.256 136 D C 0.609 176.872 176.300 -0.061 0.000 1.193 136 D CA 0.360 54.313 54.000 -0.078 0.000 0.881 136 D CB 0.897 41.680 40.800 -0.028 0.000 1.143 136 D HN 0.650 nan 8.370 nan 0.000 0.473 137 L N 2.766 123.969 121.223 -0.034 0.000 2.693 137 L HA 0.327 4.667 4.340 -0.000 0.000 0.235 137 L C 0.912 177.805 176.870 0.038 0.000 1.127 137 L CA 0.016 54.872 54.840 0.026 0.000 0.914 137 L CB 0.053 42.123 42.059 0.017 0.000 1.193 137 L HN 0.720 nan 8.230 nan 0.000 0.502 138 G N 0.070 108.883 108.800 0.021 0.000 2.858 138 G HA2 0.061 4.021 3.960 -0.000 0.000 0.266 138 G HA3 0.061 4.021 3.960 -0.000 0.000 0.266 138 G C 0.719 175.627 174.900 0.014 0.000 1.023 138 G CA -0.011 45.102 45.100 0.021 0.000 1.172 138 G HN 0.540 nan 8.290 nan 0.000 0.523 139 G N 0.720 109.524 108.800 0.006 0.000 2.454 139 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.225 139 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.225 139 G C 0.566 175.464 174.900 -0.003 0.000 1.138 139 G CA 1.055 46.157 45.100 0.003 0.000 0.667 139 G HN 1.218 nan 8.290 nan 0.000 0.512 140 K N 1.869 122.268 120.400 -0.002 0.000 2.185 140 K HA 0.591 4.911 4.320 -0.000 0.000 0.269 140 K C -0.118 176.463 176.600 -0.033 0.000 0.987 140 K CA 0.331 56.611 56.287 -0.010 0.000 0.865 140 K CB 1.397 33.900 32.500 0.005 0.000 1.090 140 K HN 0.404 nan 8.250 nan 0.000 0.450 141 T N 1.033 115.557 114.554 -0.050 0.000 2.824 141 T HA 0.474 4.824 4.350 -0.000 0.000 0.282 141 T C -0.658 173.964 174.700 -0.130 0.000 0.993 141 T CA -0.964 61.083 62.100 -0.088 0.000 0.967 141 T CB 0.724 69.548 68.868 -0.074 0.000 0.960 141 T HN 0.139 nan 8.240 nan 0.000 0.441 142 L N 3.219 124.306 121.223 -0.226 0.000 2.312 142 L HA 0.550 4.890 4.340 -0.000 0.000 0.281 142 L C 0.683 177.250 176.870 -0.506 0.000 1.070 142 L CA 0.077 54.695 54.840 -0.370 0.000 0.805 142 L CB 1.599 43.341 42.059 -0.529 0.000 1.174 142 L HN 0.854 nan 8.230 nan 0.000 0.434 143 T N 3.353 117.651 114.554 -0.428 0.000 2.792 143 T HA 0.554 4.904 4.350 -0.000 0.000 0.280 143 T C -0.471 174.030 174.700 -0.331 0.000 0.990 143 T CA -0.269 61.636 62.100 -0.324 0.000 0.960 143 T CB 0.374 69.180 68.868 -0.104 0.000 0.939 143 T HN 0.063 nan 8.240 nan 0.000 0.439 144 F N 2.821 122.816 119.950 0.076 0.000 2.408 144 F HA 0.613 5.140 4.527 -0.000 0.000 0.344 144 F C 0.036 175.891 175.800 0.092 0.000 1.112 144 F CA -1.098 56.961 58.000 0.098 0.000 1.096 144 F CB 1.014 40.069 39.000 0.092 0.000 1.129 144 F HN 0.286 nan 8.300 nan 0.000 0.486 145 L N 3.510 124.903 121.223 0.283 0.000 2.376 145 L HA 0.446 4.786 4.340 -0.000 0.000 0.275 145 L C -0.577 176.329 176.870 0.059 0.000 0.987 145 L CA -0.330 54.603 54.840 0.155 0.000 0.828 145 L CB 1.451 43.605 42.059 0.158 0.000 1.249 145 L HN 0.538 nan 8.230 nan 0.000 0.409 146 E N 2.140 122.348 120.200 0.014 0.000 2.360 146 E HA 0.308 4.658 4.350 -0.000 0.000 0.269 146 E C -0.371 176.125 176.600 -0.172 0.000 1.022 146 E CA 0.283 56.653 56.400 -0.050 0.000 0.887 146 E CB 0.700 30.387 29.700 -0.022 0.000 0.990 146 E HN 0.643 nan 8.360 nan 0.000 0.426 147 T N 0.747 115.159 114.554 -0.236 0.000 3.504 147 T HA 0.287 4.637 4.350 -0.000 0.000 0.286 147 T C -2.614 171.983 174.700 -0.172 0.000 1.530 147 T CA -2.081 59.833 62.100 -0.310 0.000 1.652 147 T CB 0.433 68.910 68.868 -0.652 0.000 0.895 147 T HN 0.142 nan 8.240 nan 0.000 0.674 148 P HA 0.230 nan 4.420 nan 0.000 0.268 148 P C 0.743 178.010 177.300 -0.055 0.000 1.205 148 P CA -0.145 62.919 63.100 -0.061 0.000 0.771 148 P CB 0.647 32.319 31.700 -0.047 0.000 0.858 149 L N 0.587 121.794 121.223 -0.027 0.000 3.717 149 L HA -0.176 4.164 4.340 -0.000 0.000 0.411 149 L C 0.235 177.110 176.870 0.007 0.000 1.233 149 L CA 0.319 55.153 54.840 -0.009 0.000 0.917 149 L CB -0.930 41.111 42.059 -0.030 0.000 1.902 149 L HN 0.505 nan 8.230 nan 0.000 0.894 150 L N -0.865 120.367 121.223 0.015 0.000 2.512 150 L HA 0.084 4.424 4.340 -0.000 0.000 0.291 150 L C 1.053 177.940 176.870 0.028 0.000 1.360 150 L CA 0.146 54.988 54.840 0.002 0.000 0.655 150 L CB -0.056 41.946 42.059 -0.096 0.000 0.968 150 L HN 0.438 nan 8.230 nan 0.000 0.517 151 H N -1.191 117.853 119.070 -0.043 0.000 2.516 151 H HA 0.075 4.631 4.556 -0.000 0.000 0.284 151 H C -0.412 175.082 175.328 0.276 0.000 0.999 151 H CA 0.144 56.232 56.048 0.067 0.000 1.303 151 H CB 0.632 30.447 29.762 0.089 0.000 1.452 151 H HN 0.295 nan 8.280 nan 0.000 0.530 152 W N 0.766 121.829 121.300 -0.395 0.000 2.655 152 W HA 0.324 4.984 4.660 -0.000 0.000 0.358 152 W C -1.696 174.730 176.519 -0.155 0.000 1.100 152 W CA -2.925 54.250 57.345 -0.283 0.000 1.195 152 W CB 0.505 29.898 29.460 -0.112 0.000 1.403 152 W HN -0.053 nan 8.180 nan 0.000 0.589 153 P HA -0.180 nan 4.420 nan 0.000 0.220 153 P C 0.288 177.615 177.300 0.045 0.000 1.144 153 P CA 2.006 65.112 63.100 0.011 0.000 0.800 153 P CB 0.188 31.860 31.700 -0.048 0.000 0.772 154 D N -3.469 117.006 120.400 0.125 0.000 2.395 154 D HA 0.081 4.721 4.640 -0.000 0.000 0.213 154 D C 0.094 176.453 176.300 0.099 0.000 1.110 154 D CA -0.219 53.857 54.000 0.128 0.000 0.835 154 D CB -0.186 40.744 40.800 0.216 0.000 0.965 154 D HN -0.122 nan 8.370 nan 0.000 0.505 155 S N 0.516 116.233 115.700 0.027 0.000 2.601 155 S HA 0.641 5.111 4.470 -0.000 0.000 0.271 155 S C 0.061 174.636 174.600 -0.041 0.000 1.305 155 S CA -0.587 57.575 58.200 -0.064 0.000 1.022 155 S CB 0.752 63.823 63.200 -0.214 0.000 0.940 155 S HN 0.455 nan 8.310 nan 0.000 0.525 156 M N 0.482 120.092 119.600 0.017 0.000 2.534 156 M HA 0.638 5.118 4.480 -0.000 0.000 0.280 156 M C -2.024 174.445 176.300 0.281 0.000 1.217 156 M CA -0.824 54.506 55.300 0.051 0.000 0.893 156 M CB 1.084 33.752 32.600 0.112 0.000 1.730 156 M HN 0.281 nan 8.290 nan 0.000 0.483 157 F N 0.520 120.565 119.950 0.159 0.000 2.399 157 F HA 0.763 5.290 4.527 -0.000 0.000 0.328 157 F C 0.249 176.191 175.800 0.238 0.000 1.084 157 F CA -0.849 57.263 58.000 0.187 0.000 1.053 157 F CB 2.052 41.147 39.000 0.158 0.000 1.209 157 F HN 0.636 nan 8.300 nan 0.000 0.502 158 T N 3.737 118.555 114.554 0.441 0.000 2.829 158 T HA 0.710 5.060 4.350 -0.000 0.000 0.280 158 T C -0.627 174.232 174.700 0.265 0.000 0.999 158 T CA -0.440 61.837 62.100 0.295 0.000 0.983 158 T CB 1.565 70.592 68.868 0.265 0.000 0.968 158 T HN 0.175 nan 8.240 nan 0.000 0.446 159 L N 2.587 123.870 121.223 0.100 0.000 2.319 159 L HA 0.740 5.080 4.340 -0.000 0.000 0.267 159 L C -1.137 175.745 176.870 0.020 0.000 1.011 159 L CA -0.838 54.029 54.840 0.044 0.000 0.818 159 L CB 1.698 43.764 42.059 0.012 0.000 1.316 159 L HN 0.391 nan 8.230 nan 0.000 0.432 160 L N 1.144 122.357 121.223 -0.017 0.000 2.406 160 L HA 0.415 4.755 4.340 -0.000 0.000 0.270 160 L C 0.225 177.062 176.870 -0.055 0.000 0.982 160 L CA 0.298 55.128 54.840 -0.016 0.000 0.843 160 L CB 1.257 43.338 42.059 0.036 0.000 1.225 160 L HN 0.573 nan 8.230 nan 0.000 0.412 161 D N 1.548 121.919 120.400 -0.049 0.000 2.201 161 D HA -0.025 4.615 4.640 -0.000 0.000 0.209 161 D C 0.745 177.018 176.300 -0.046 0.000 0.961 161 D CA 0.781 54.752 54.000 -0.048 0.000 0.861 161 D CB 0.612 41.388 40.800 -0.039 0.000 0.997 161 D HN 0.623 nan 8.370 nan 0.000 0.486 162 E N 0.627 120.804 120.200 -0.038 0.000 2.510 162 E HA -0.124 4.226 4.350 -0.000 0.000 0.202 162 E C 0.111 176.688 176.600 -0.039 0.000 1.072 162 E CA 0.770 57.149 56.400 -0.034 0.000 0.883 162 E CB 0.081 29.765 29.700 -0.026 0.000 0.818 162 E HN 0.400 nan 8.360 nan 0.000 0.548 163 D N -1.622 118.748 120.400 -0.050 0.000 2.486 163 D HA 0.110 4.750 4.640 -0.000 0.000 0.243 163 D C 0.787 177.032 176.300 -0.091 0.000 1.146 163 D CA 0.441 54.404 54.000 -0.061 0.000 0.821 163 D CB 0.980 41.751 40.800 -0.049 0.000 1.201 163 D HN 0.119 nan 8.370 nan 0.000 0.525 164 G N 1.576 110.318 108.800 -0.097 0.000 2.305 164 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.287 164 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.287 164 G C -0.036 174.755 174.900 -0.182 0.000 1.036 164 G CA 0.128 45.154 45.100 -0.122 0.000 0.887 164 G HN 0.384 nan 8.290 nan 0.000 0.505 165 I N -0.263 120.167 120.570 -0.232 0.000 2.362 165 I HA 0.444 4.614 4.170 -0.000 0.000 0.289 165 I C 0.015 175.817 176.117 -0.525 0.000 0.994 165 I CA -1.146 59.908 61.300 -0.410 0.000 1.158 165 I CB 1.661 39.355 38.000 -0.510 0.000 1.315 165 I HN 0.051 nan 8.210 nan 0.000 0.451 166 L N 7.728 128.637 121.223 -0.522 0.000 2.257 166 L HA 0.464 4.804 4.340 -0.000 0.000 0.290 166 L C -1.016 175.508 176.870 -0.576 0.000 1.044 166 L CA 0.090 54.667 54.840 -0.437 0.000 0.810 166 L CB 0.303 42.171 42.059 -0.319 0.000 1.193 166 L HN 0.245 nan 8.230 nan 0.000 0.425 167 F N 3.745 123.594 119.950 -0.169 0.000 2.405 167 F HA 0.229 4.756 4.527 -0.000 0.000 0.358 167 F C 1.459 177.183 175.800 -0.127 0.000 1.151 167 F CA -0.105 57.807 58.000 -0.147 0.000 1.161 167 F CB 0.515 39.467 39.000 -0.081 0.000 1.245 167 F HN 0.666 nan 8.300 nan 0.000 0.545 168 S N 1.529 117.178 115.700 -0.086 0.000 2.556 168 S HA 0.106 4.576 4.470 -0.000 0.000 0.216 168 S C 0.751 175.377 174.600 0.043 0.000 0.970 168 S CA 0.044 58.011 58.200 -0.388 0.000 0.912 168 S CB -1.061 61.922 63.200 -0.361 0.000 0.790 168 S HN 0.829 nan 8.310 nan 0.000 0.504 169 N N 2.315 121.122 118.700 0.179 0.000 1.161 169 N HA -0.339 4.401 4.740 -0.000 0.000 0.111 169 N C -0.051 175.566 175.510 0.177 0.000 0.779 169 N CA 1.746 54.895 53.050 0.165 0.000 0.845 169 N CB -1.713 36.867 38.487 0.156 0.000 1.034 169 N HN 0.086 nan 8.380 nan 0.000 0.629 170 D N 0.111 120.654 120.400 0.238 0.000 2.265 170 D HA 0.050 4.690 4.640 -0.000 0.000 0.208 170 D C 0.633 177.151 176.300 0.364 0.000 0.977 170 D CA 1.510 55.766 54.000 0.426 0.000 0.871 170 D CB -0.819 40.324 40.800 0.571 0.000 0.925 170 D HN 0.795 nan 8.370 nan 0.000 0.485 171 A N -0.408 122.532 122.820 0.201 0.000 2.488 171 A HA 0.254 4.574 4.320 -0.000 0.000 0.249 171 A C 0.169 177.652 177.584 -0.168 0.000 1.083 171 A CA -0.196 51.792 52.037 -0.081 0.000 0.768 171 A CB -0.537 18.302 19.000 -0.268 0.000 1.017 171 A HN 0.307 nan 8.150 nan 0.000 0.496 172 F N -0.322 119.695 119.950 0.110 0.000 2.953 172 F HA -0.234 4.293 4.527 -0.000 0.000 0.292 172 F C 1.265 177.134 175.800 0.115 0.000 0.747 172 F CA 0.380 58.317 58.000 -0.106 0.000 1.222 172 F CB -1.753 37.007 39.000 -0.401 0.000 1.457 172 F HN 0.880 nan 8.300 nan 0.000 0.383 173 G N -0.069 108.647 108.800 -0.140 0.000 2.599 173 G HA2 0.607 4.567 3.960 -0.000 0.000 0.264 173 G HA3 0.607 4.567 3.960 -0.000 0.000 0.264 173 G C -0.534 173.826 174.900 -0.901 0.000 1.200 173 G CA -0.267 44.497 45.100 -0.560 0.000 0.896 173 G HN 0.225 nan 8.290 nan 0.000 0.536 174 Q N -0.829 118.615 119.800 -0.593 0.000 2.320 174 Q HA 0.280 4.620 4.340 -0.000 0.000 0.272 174 Q C -1.335 174.554 176.000 -0.184 0.000 1.023 174 Q CA -0.783 54.850 55.803 -0.283 0.000 0.855 174 Q CB 1.768 30.507 28.738 0.001 0.000 1.367 174 Q HN 0.560 nan 8.270 nan 0.000 0.406 175 H N 2.541 121.675 119.070 0.106 0.000 3.014 175 H HA 0.421 4.977 4.556 -0.000 0.000 0.266 175 H C -0.876 174.476 175.328 0.040 0.000 1.455 175 H CA 0.058 56.129 56.048 0.037 0.000 1.402 175 H CB -0.332 29.429 29.762 -0.002 0.000 1.626 175 H HN 0.419 nan 8.280 nan 0.000 0.520 176 L N 1.346 122.620 121.223 0.085 0.000 2.422 176 L HA 0.307 4.647 4.340 -0.000 0.000 0.264 176 L C -0.340 176.477 176.870 -0.088 0.000 0.984 176 L CA -0.682 54.164 54.840 0.010 0.000 0.819 176 L CB 2.641 44.690 42.059 -0.018 0.000 1.330 176 L HN 0.403 nan 8.230 nan 0.000 0.410 177 C N 2.832 122.052 119.300 -0.135 0.000 2.317 177 C HA 0.723 5.183 4.460 -0.000 0.000 0.306 177 C C -0.222 174.564 174.990 -0.341 0.000 1.087 177 C CA -0.548 58.279 59.018 -0.318 0.000 1.529 177 C CB -1.168 26.325 27.740 -0.412 0.000 1.880 177 C HN 0.861 nan 8.230 nan 0.000 0.417 178 C N 6.783 125.897 119.300 -0.310 0.000 2.507 178 C HA 0.470 4.929 4.460 -0.000 0.000 0.319 178 C C -0.904 173.946 174.990 -0.234 0.000 1.208 178 C CA -0.832 58.074 59.018 -0.187 0.000 1.619 178 C CB 1.848 29.510 27.740 -0.129 0.000 2.230 178 C HN 0.628 nan 8.230 nan 0.000 0.492 179 P HA -0.124 nan 4.420 nan 0.000 0.217 179 P C -0.107 177.113 177.300 -0.133 0.000 1.148 179 P CA 1.314 64.400 63.100 -0.022 0.000 0.828 179 P CB 0.101 31.875 31.700 0.124 0.000 0.783 180 Q N -0.699 119.022 119.800 -0.131 0.000 2.314 180 Q HA 0.174 4.514 4.340 -0.000 0.000 0.258 180 Q C 1.323 177.166 176.000 -0.262 0.000 0.954 180 Q CA 0.276 55.982 55.803 -0.162 0.000 0.890 180 Q CB 0.465 29.135 28.738 -0.114 0.000 1.210 180 Q HN 0.026 nan 8.270 nan 0.000 0.410 181 R N 1.272 121.599 120.500 -0.289 0.000 2.206 181 R HA 0.244 4.584 4.340 -0.000 0.000 0.198 181 R C 0.010 176.133 176.300 -0.294 0.000 0.986 181 R CA 0.296 56.163 56.100 -0.389 0.000 1.029 181 R CB 0.183 30.212 30.300 -0.453 0.000 0.966 181 R HN 0.511 nan 8.270 nan 0.000 0.487 182 L N 1.881 122.969 121.223 -0.226 0.000 2.344 182 L HA 0.144 4.484 4.340 -0.000 0.000 0.272 182 L C 1.364 178.085 176.870 -0.248 0.000 1.035 182 L CA -0.708 54.005 54.840 -0.210 0.000 0.807 182 L CB 1.233 43.206 42.059 -0.144 0.000 1.237 182 L HN 0.011 nan 8.230 nan 0.000 0.442 183 D N 1.320 121.528 120.400 -0.319 0.000 2.182 183 D HA -0.259 4.380 4.640 -0.000 0.000 0.201 183 D C 1.633 177.814 176.300 -0.199 0.000 0.986 183 D CA 1.563 55.332 54.000 -0.384 0.000 0.847 183 D CB -0.153 40.322 40.800 -0.542 0.000 0.942 183 D HN 0.663 nan 8.370 nan 0.000 0.467 184 R N 0.509 120.931 120.500 -0.129 0.000 2.276 184 R HA 0.102 4.442 4.340 -0.000 0.000 0.203 184 R C 1.399 177.660 176.300 -0.065 0.000 1.017 184 R CA 0.623 56.680 56.100 -0.071 0.000 1.010 184 R CB -0.363 29.906 30.300 -0.051 0.000 0.900 184 R HN 0.123 nan 8.270 nan 0.000 0.469 185 E N 1.293 121.440 120.200 -0.089 0.000 2.479 185 E HA 0.159 4.508 4.350 -0.000 0.000 0.193 185 E C 0.243 176.807 176.600 -0.060 0.000 1.049 185 E CA 0.058 56.414 56.400 -0.072 0.000 0.870 185 E CB 0.294 29.942 29.700 -0.088 0.000 0.944 185 E HN 0.509 nan 8.360 nan 0.000 0.492 186 I N -3.550 116.983 120.570 -0.061 0.000 2.994 186 I HA 0.517 4.687 4.170 -0.000 0.000 0.306 186 I C -2.881 173.231 176.117 -0.008 0.000 1.195 186 I CA -3.127 58.151 61.300 -0.037 0.000 1.001 186 I CB 1.857 39.822 38.000 -0.058 0.000 1.244 186 I HN -0.331 nan 8.210 nan 0.000 0.437 187 P HA 0.067 nan 4.420 nan 0.000 0.265 187 P C -0.076 177.275 177.300 0.084 0.000 1.193 187 P CA 0.117 63.256 63.100 0.064 0.000 0.765 187 P CB 0.624 32.379 31.700 0.092 0.000 0.823 188 E N 2.247 122.505 120.200 0.097 0.000 2.208 188 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 188 E C 1.542 178.221 176.600 0.132 0.000 0.988 188 E CA 1.017 57.478 56.400 0.101 0.000 0.828 188 E CB -0.965 28.792 29.700 0.095 0.000 0.763 188 E HN 0.510 nan 8.360 nan 0.000 0.478 189 Y N 1.160 121.507 120.300 0.077 0.000 2.128 189 Y HA -0.218 4.332 4.550 -0.000 0.000 0.284 189 Y C 1.835 177.798 175.900 0.105 0.000 1.154 189 Y CA 1.949 60.104 58.100 0.093 0.000 1.149 189 Y CB -0.063 38.441 38.460 0.074 0.000 0.976 189 Y HN 0.036 nan 8.280 nan 0.000 0.505 190 I N -0.244 120.490 120.570 0.272 0.000 2.113 190 I HA -0.286 3.884 4.170 -0.000 0.000 0.238 190 I C 2.450 178.619 176.117 0.086 0.000 1.070 190 I CA 1.316 62.730 61.300 0.190 0.000 1.332 190 I CB -1.599 36.498 38.000 0.161 0.000 1.044 190 I HN 0.387 nan 8.210 nan 0.000 0.402 191 L N 0.704 121.963 121.223 0.060 0.000 1.976 191 L HA -0.275 4.065 4.340 -0.000 0.000 0.223 191 L C 2.489 179.447 176.870 0.145 0.000 1.081 191 L CA 2.204 57.065 54.840 0.034 0.000 0.784 191 L CB -0.635 41.407 42.059 -0.029 0.000 0.896 191 L HN 0.125 nan 8.230 nan 0.000 0.438 192 M N -1.173 118.522 119.600 0.159 0.000 2.175 192 M HA -0.158 4.322 4.480 -0.000 0.000 0.264 192 M C 2.095 178.519 176.300 0.206 0.000 1.063 192 M CA 1.591 57.046 55.300 0.258 0.000 1.119 192 M CB -1.501 31.218 32.600 0.198 0.000 1.377 192 M HN 0.382 nan 8.290 nan 0.000 0.415 193 D N 0.262 120.661 120.400 -0.001 0.000 2.144 193 D HA -0.028 4.612 4.640 -0.000 0.000 0.200 193 D C 1.923 178.284 176.300 0.102 0.000 0.978 193 D CA 1.471 55.451 54.000 -0.033 0.000 0.833 193 D CB 0.179 40.841 40.800 -0.229 0.000 0.961 193 D HN 0.253 nan 8.370 nan 0.000 0.470 194 A N 0.706 123.614 122.820 0.146 0.000 1.865 194 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 194 A C 2.388 180.147 177.584 0.291 0.000 1.191 194 A CA 2.550 54.717 52.037 0.216 0.000 0.623 194 A CB -1.247 17.856 19.000 0.173 0.000 0.826 194 A HN 0.294 nan 8.150 nan 0.000 0.444 195 A N -0.672 122.350 122.820 0.338 0.000 1.978 195 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 195 A C 2.230 180.011 177.584 0.329 0.000 1.170 195 A CA 1.837 54.163 52.037 0.481 0.000 0.636 195 A CB -0.500 18.936 19.000 0.725 0.000 0.810 195 A HN 0.603 nan 8.150 nan 0.000 0.448 196 R N -0.157 120.420 120.500 0.129 0.000 2.061 196 R HA -0.142 4.198 4.340 -0.000 0.000 0.230 196 R C 2.299 178.476 176.300 -0.206 0.000 1.140 196 R CA 1.878 57.767 56.100 -0.352 0.000 0.940 196 R CB -0.330 29.923 30.300 -0.078 0.000 0.839 196 R HN 0.484 nan 8.270 nan 0.000 0.429 197 K N -0.552 119.866 120.400 0.029 0.000 2.103 197 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 197 K C 1.933 178.670 176.600 0.229 0.000 1.048 197 K CA 1.624 57.961 56.287 0.083 0.000 0.930 197 K CB -0.204 32.365 32.500 0.115 0.000 0.716 197 K HN 0.175 nan 8.250 nan 0.000 0.444 198 F N 0.142 120.217 119.950 0.208 0.000 2.128 198 F HA -0.198 4.329 4.527 -0.000 0.000 0.295 198 F C 2.143 177.987 175.800 0.072 0.000 1.100 198 F CA 1.430 59.566 58.000 0.227 0.000 1.260 198 F CB -0.412 38.687 39.000 0.164 0.000 1.009 198 F HN 0.064 nan 8.300 nan 0.000 0.476 199 Y N 0.515 120.874 120.300 0.097 0.000 2.097 199 Y HA -0.291 4.259 4.550 -0.000 0.000 0.282 199 Y C 2.432 178.170 175.900 -0.269 0.000 1.152 199 Y CA 2.011 59.990 58.100 -0.202 0.000 1.136 199 Y CB -0.800 37.323 38.460 -0.563 0.000 0.975 199 Y HN 0.094 nan 8.280 nan 0.000 0.498 200 A N 0.208 123.013 122.820 -0.025 0.000 1.902 200 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 200 A C 2.003 179.517 177.584 -0.116 0.000 1.181 200 A CA 2.025 54.052 52.037 -0.017 0.000 0.623 200 A CB -0.708 18.309 19.000 0.028 0.000 0.818 200 A HN 0.664 nan 8.150 nan 0.000 0.443 201 N N -1.157 117.492 118.700 -0.085 0.000 2.415 201 N HA 0.147 4.887 4.740 -0.000 0.000 0.176 201 N C 1.271 176.686 175.510 -0.158 0.000 1.042 201 N CA 0.840 53.858 53.050 -0.054 0.000 0.902 201 N CB 0.267 38.811 38.487 0.094 0.000 0.986 201 N HN 0.446 nan 8.380 nan 0.000 0.447 202 L N -0.322 120.709 121.223 -0.321 0.000 2.730 202 L HA 0.256 4.596 4.340 -0.000 0.000 0.236 202 L C 1.527 178.111 176.870 -0.476 0.000 1.061 202 L CA 0.140 54.702 54.840 -0.463 0.000 0.898 202 L CB 0.465 42.051 42.059 -0.788 0.000 1.270 202 L HN -0.031 nan 8.230 nan 0.000 0.500 203 I N -0.828 119.384 120.570 -0.596 0.000 3.708 203 I HA -0.018 4.151 4.170 -0.000 0.000 0.302 203 I C 2.230 177.897 176.117 -0.750 0.000 1.255 203 I CA 0.653 61.509 61.300 -0.739 0.000 1.362 203 I CB -0.793 36.521 38.000 -1.143 0.000 1.100 203 I HN 0.121 nan 8.210 nan 0.000 0.434 204 T N 3.615 117.749 114.554 -0.700 0.000 2.624 204 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 204 T C -0.382 174.108 174.700 -0.350 0.000 1.050 204 T CA 2.111 63.935 62.100 -0.459 0.000 1.163 204 T CB -1.526 66.938 68.868 -0.674 0.000 0.861 204 T HN 0.301 nan 8.240 nan 0.000 0.443 205 P HA 0.079 nan 4.420 nan 0.000 0.230 205 P C 1.088 178.295 177.300 -0.154 0.000 1.158 205 P CA 0.834 63.800 63.100 -0.223 0.000 0.769 205 P CB -0.263 31.322 31.700 -0.193 0.000 0.807 206 L N -1.235 119.882 121.223 -0.176 0.000 2.592 206 L HA 0.114 4.454 4.340 -0.000 0.000 0.227 206 L C 2.320 179.128 176.870 -0.104 0.000 1.127 206 L CA 0.100 54.865 54.840 -0.125 0.000 0.884 206 L CB -0.686 41.300 42.059 -0.121 0.000 1.065 206 L HN -0.092 nan 8.230 nan 0.000 0.457 207 S N 0.851 116.500 115.700 -0.084 0.000 2.368 207 S HA -0.249 4.221 4.470 -0.000 0.000 0.226 207 S C 1.983 176.597 174.600 0.023 0.000 1.044 207 S CA 1.721 59.939 58.200 0.030 0.000 1.062 207 S CB -0.107 63.148 63.200 0.092 0.000 0.931 207 S HN 0.422 nan 8.310 nan 0.000 0.440 208 K N 0.205 120.603 120.400 -0.003 0.000 2.148 208 K HA 0.017 4.337 4.320 -0.000 0.000 0.204 208 K C 1.757 178.344 176.600 -0.022 0.000 1.050 208 K CA 0.823 57.109 56.287 -0.002 0.000 0.942 208 K CB -0.208 32.287 32.500 -0.008 0.000 0.724 208 K HN 0.188 nan 8.250 nan 0.000 0.446 209 L N 0.083 121.279 121.223 -0.044 0.000 2.395 209 L HA -0.086 4.253 4.340 -0.000 0.000 0.218 209 L C 1.860 178.666 176.870 -0.106 0.000 1.130 209 L CA 0.729 55.531 54.840 -0.064 0.000 0.826 209 L CB 0.080 42.100 42.059 -0.064 0.000 0.941 209 L HN -0.072 nan 8.230 nan 0.000 0.451 210 V N -0.839 119.003 119.914 -0.121 0.000 2.591 210 V HA -0.183 3.937 4.120 -0.000 0.000 0.249 210 V C 2.143 178.000 176.094 -0.396 0.000 1.053 210 V CA 1.257 63.401 62.300 -0.259 0.000 1.068 210 V CB -0.140 31.604 31.823 -0.133 0.000 0.689 210 V HN 0.330 nan 8.190 nan 0.000 0.462 211 L N -0.609 120.546 121.223 -0.115 0.000 2.072 211 L HA -0.108 4.232 4.340 -0.000 0.000 0.205 211 L C 2.511 179.413 176.870 0.053 0.000 1.079 211 L CA 1.485 56.348 54.840 0.038 0.000 0.752 211 L CB -0.626 41.490 42.059 0.095 0.000 0.906 211 L HN 0.213 nan 8.230 nan 0.000 0.436 212 K N 0.182 120.584 120.400 0.003 0.000 2.097 212 K HA -0.183 4.137 4.320 -0.000 0.000 0.205 212 K C 2.148 178.759 176.600 0.017 0.000 1.050 212 K CA 0.980 57.278 56.287 0.018 0.000 0.938 212 K CB -0.049 32.450 32.500 -0.002 0.000 0.718 212 K HN -0.009 nan 8.250 nan 0.000 0.442 213 K N 0.539 120.910 120.400 -0.049 0.000 2.148 213 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 213 K C 1.684 178.360 176.600 0.127 0.000 1.050 213 K CA 1.163 57.432 56.287 -0.029 0.000 0.942 213 K CB -0.103 32.322 32.500 -0.124 0.000 0.724 213 K HN -0.042 nan 8.250 nan 0.000 0.446 214 F N 1.376 121.402 119.950 0.126 0.000 2.234 214 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 214 F C 1.747 177.592 175.800 0.075 0.000 1.087 214 F CA 1.008 59.078 58.000 0.118 0.000 1.340 214 F CB -0.608 38.465 39.000 0.122 0.000 1.031 214 F HN 0.103 nan 8.300 nan 0.000 0.500 215 D N -0.195 120.349 120.400 0.240 0.000 2.178 215 D HA -0.158 4.482 4.640 -0.000 0.000 0.202 215 D C 2.162 178.526 176.300 0.108 0.000 0.974 215 D CA 0.897 54.982 54.000 0.141 0.000 0.841 215 D CB -0.194 40.666 40.800 0.099 0.000 0.953 215 D HN 0.415 nan 8.370 nan 0.000 0.478 216 E N 0.495 120.760 120.200 0.108 0.000 2.122 216 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 216 E C 2.104 178.760 176.600 0.093 0.000 0.977 216 E CA 0.302 56.750 56.400 0.080 0.000 0.820 216 E CB 0.414 30.148 29.700 0.056 0.000 0.770 216 E HN -0.023 nan 8.360 nan 0.000 0.462 217 V N 1.634 121.630 119.914 0.137 0.000 2.427 217 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 217 V C 2.456 178.605 176.094 0.091 0.000 1.051 217 V CA 1.911 64.291 62.300 0.134 0.000 1.048 217 V CB -0.452 31.492 31.823 0.202 0.000 0.666 217 V HN 0.209 nan 8.190 nan 0.000 0.456 218 K N 0.205 120.659 120.400 0.091 0.000 2.148 218 K HA -0.211 4.109 4.320 -0.000 0.000 0.204 218 K C 2.117 178.742 176.600 0.042 0.000 1.050 218 K CA 1.640 57.959 56.287 0.053 0.000 0.942 218 K CB -0.021 32.511 32.500 0.053 0.000 0.724 218 K HN 0.513 nan 8.250 nan 0.000 0.446 219 E N 0.112 120.342 120.200 0.049 0.000 2.216 219 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 219 E C 1.289 177.909 176.600 0.032 0.000 0.988 219 E CA 0.553 56.975 56.400 0.037 0.000 0.834 219 E CB 0.218 29.941 29.700 0.039 0.000 0.772 219 E HN 0.301 nan 8.360 nan 0.000 0.479 220 L N -0.656 120.590 121.223 0.039 0.000 2.592 220 L HA 0.265 4.605 4.340 -0.000 0.000 0.227 220 L C 0.891 177.777 176.870 0.026 0.000 1.127 220 L CA 0.157 55.017 54.840 0.034 0.000 0.884 220 L CB 0.254 42.339 42.059 0.042 0.000 1.065 220 L HN 0.209 nan 8.230 nan 0.000 0.457 221 G N 1.075 109.889 108.800 0.023 0.000 2.333 221 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.296 221 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.296 221 G C 0.343 175.247 174.900 0.007 0.000 1.059 221 G CA 0.317 45.424 45.100 0.011 0.000 1.050 221 G HN 0.384 nan 8.290 nan 0.000 0.508 222 L N -1.493 119.738 121.223 0.013 0.000 2.854 222 L HA 0.345 4.685 4.340 -0.000 0.000 0.249 222 L C 2.290 179.154 176.870 -0.011 0.000 1.091 222 L CA 0.044 54.888 54.840 0.007 0.000 0.935 222 L CB 0.020 42.097 42.059 0.030 0.000 1.367 222 L HN 0.294 nan 8.230 nan 0.000 0.524 223 L N 0.880 122.097 121.223 -0.011 0.000 2.341 223 L HA -0.022 4.318 4.340 -0.000 0.000 0.214 223 L C 1.959 178.782 176.870 -0.078 0.000 1.115 223 L CA 1.144 55.956 54.840 -0.047 0.000 0.820 223 L CB -0.057 41.976 42.059 -0.043 0.000 0.944 223 L HN 0.307 nan 8.230 nan 0.000 0.452 224 E N -1.040 119.124 120.200 -0.061 0.000 2.321 224 E HA -0.057 4.293 4.350 -0.000 0.000 0.189 224 E C 1.067 177.626 176.600 -0.068 0.000 1.125 224 E CA 0.097 56.456 56.400 -0.068 0.000 1.005 224 E CB -0.027 29.641 29.700 -0.054 0.000 1.140 224 E HN 0.470 nan 8.360 nan 0.000 0.457 225 R N -0.021 120.434 120.500 -0.075 0.000 2.453 225 R HA 0.260 4.600 4.340 -0.000 0.000 0.233 225 R C 0.260 176.502 176.300 -0.096 0.000 0.895 225 R CA -0.558 55.498 56.100 -0.074 0.000 1.028 225 R CB 0.587 30.849 30.300 -0.063 0.000 1.255 225 R HN 0.166 nan 8.270 nan 0.000 0.571 226 I N 3.087 123.587 120.570 -0.117 0.000 2.742 226 I HA -0.129 4.041 4.170 -0.000 0.000 0.287 226 I C 0.894 176.922 176.117 -0.149 0.000 1.186 226 I CA 1.030 62.239 61.300 -0.151 0.000 1.417 226 I CB 0.802 38.687 38.000 -0.192 0.000 1.377 226 I HN 0.309 nan 8.210 nan 0.000 0.556 227 Q N 5.644 125.353 119.800 -0.151 0.000 2.423 227 Q HA 0.282 4.622 4.340 -0.000 0.000 0.231 227 Q C 0.371 176.283 176.000 -0.146 0.000 0.894 227 Q CA 0.575 56.298 55.803 -0.134 0.000 0.938 227 Q CB 1.283 29.950 28.738 -0.117 0.000 1.079 227 Q HN 0.690 nan 8.270 nan 0.000 0.552 228 M N 0.387 119.873 119.600 -0.190 0.000 2.365 228 M HA 0.426 4.906 4.480 -0.000 0.000 0.287 228 M C -1.957 174.184 176.300 -0.264 0.000 1.154 228 M CA -0.321 54.861 55.300 -0.196 0.000 0.941 228 M CB 2.192 34.667 32.600 -0.208 0.000 1.704 228 M HN -0.080 nan 8.290 nan 0.000 0.479 229 I N 3.509 123.964 120.570 -0.191 0.000 2.362 229 I HA 0.584 4.754 4.170 -0.000 0.000 0.289 229 I C -0.315 175.746 176.117 -0.094 0.000 0.994 229 I CA -0.640 60.531 61.300 -0.214 0.000 1.158 229 I CB 1.967 39.779 38.000 -0.312 0.000 1.315 229 I HN 0.798 nan 8.210 nan 0.000 0.451 230 A N 9.210 131.883 122.820 -0.245 0.000 2.508 230 A HA 0.659 4.979 4.320 -0.000 0.000 0.336 230 A C -2.604 175.013 177.584 0.056 0.000 1.360 230 A CA -1.431 50.486 52.037 -0.199 0.000 0.841 230 A CB 0.015 18.576 19.000 -0.731 0.000 1.136 230 A HN 0.341 nan 8.150 nan 0.000 0.489 231 P HA 0.233 nan 4.420 nan 0.000 0.281 231 P C 0.716 178.221 177.300 0.342 0.000 1.281 231 P CA -0.360 62.898 63.100 0.263 0.000 0.811 231 P CB 1.330 33.177 31.700 0.245 0.000 1.154 232 S N -2.263 113.570 115.700 0.223 0.000 2.593 232 S HA 0.072 4.542 4.470 -0.000 0.000 0.217 232 S C 0.450 174.984 174.600 -0.110 0.000 0.966 232 S CA 0.167 58.442 58.200 0.126 0.000 0.914 232 S CB -0.729 62.446 63.200 -0.043 0.000 0.776 232 S HN 0.451 nan 8.310 nan 0.000 0.523 233 H N 0.434 119.614 119.070 0.182 0.000 2.782 233 H HA 0.556 5.112 4.556 -0.000 0.000 0.347 233 H C 0.929 176.227 175.328 -0.051 0.000 1.038 233 H CA 0.121 56.203 56.048 0.057 0.000 1.255 233 H CB 1.336 31.056 29.762 -0.071 0.000 1.623 233 H HN 0.388 nan 8.280 nan 0.000 0.525 234 G N 2.933 111.765 108.800 0.053 0.000 2.496 234 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.243 234 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.243 234 G C -0.648 174.154 174.900 -0.162 0.000 1.176 234 G CA -0.679 44.377 45.100 -0.074 0.000 0.940 234 G HN 0.504 nan 8.290 nan 0.000 0.573 235 Q N 0.353 119.983 119.800 -0.283 0.000 2.288 235 Q HA 0.562 4.902 4.340 -0.000 0.000 0.254 235 Q C 0.610 176.332 176.000 -0.463 0.000 0.932 235 Q CA -0.167 55.391 55.803 -0.409 0.000 0.902 235 Q CB 1.013 29.427 28.738 -0.541 0.000 1.203 235 Q HN 0.562 nan 8.270 nan 0.000 0.415 236 I N 1.592 121.976 120.570 -0.311 0.000 2.416 236 I HA 0.055 4.225 4.170 -0.000 0.000 0.288 236 I C -0.180 175.787 176.117 -0.250 0.000 1.051 236 I CA -0.278 60.912 61.300 -0.183 0.000 1.375 236 I CB 0.361 38.330 38.000 -0.051 0.000 1.407 236 I HN 0.391 nan 8.210 nan 0.000 0.516 237 W N 5.891 127.121 121.300 -0.116 0.000 2.497 237 W HA 0.179 4.839 4.660 -0.000 0.000 0.354 237 W C 1.558 177.984 176.519 -0.156 0.000 1.111 237 W CA -0.478 56.784 57.345 -0.139 0.000 1.510 237 W CB 0.435 29.781 29.460 -0.190 0.000 1.466 237 W HN 0.587 nan 8.180 nan 0.000 0.409 238 T N -2.573 112.007 114.554 0.043 0.000 3.067 238 T HA -0.115 4.235 4.350 -0.000 0.000 0.261 238 T C 0.416 175.117 174.700 0.001 0.000 1.110 238 T CA 0.505 62.599 62.100 -0.010 0.000 1.113 238 T CB 0.046 68.889 68.868 -0.042 0.000 0.917 238 T HN 0.186 nan 8.240 nan 0.000 0.499 239 D N 2.683 123.122 120.400 0.064 0.000 2.514 239 D HA 0.292 4.932 4.640 -0.000 0.000 0.267 239 D C -1.563 174.743 176.300 0.011 0.000 1.165 239 D CA -2.728 51.291 54.000 0.032 0.000 0.958 239 D CB 1.369 42.202 40.800 0.054 0.000 0.992 239 D HN 0.074 nan 8.370 nan 0.000 0.506 240 P HA -0.107 nan 4.420 nan 0.000 0.221 240 P C 1.529 178.583 177.300 -0.410 0.000 1.150 240 P CA 0.458 63.382 63.100 -0.294 0.000 0.800 240 P CB 0.222 31.736 31.700 -0.309 0.000 0.787 241 M N -0.294 119.134 119.600 -0.286 0.000 2.460 241 M HA -0.067 4.413 4.480 -0.000 0.000 0.263 241 M C 2.062 178.194 176.300 -0.280 0.000 1.071 241 M CA 1.187 56.316 55.300 -0.285 0.000 1.096 241 M CB -1.184 31.294 32.600 -0.203 0.000 1.408 241 M HN -0.011 nan 8.290 nan 0.000 0.463 242 K N 0.490 120.740 120.400 -0.249 0.000 2.001 242 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 242 K C 1.853 178.235 176.600 -0.363 0.000 1.048 242 K CA 1.083 57.241 56.287 -0.215 0.000 0.932 242 K CB -0.126 32.341 32.500 -0.056 0.000 0.715 242 K HN 0.115 nan 8.250 nan 0.000 0.437 243 I N 1.128 121.293 120.570 -0.676 0.000 2.394 243 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 243 I C 1.626 177.423 176.117 -0.532 0.000 1.136 243 I CA 1.128 61.911 61.300 -0.861 0.000 1.425 243 I CB 0.043 36.866 38.000 -1.961 0.000 1.079 243 I HN 0.244 nan 8.210 nan 0.000 0.425 244 I N -0.064 120.155 120.570 -0.584 0.000 2.286 244 I HA -0.229 3.940 4.170 -0.000 0.000 0.245 244 I C 2.275 178.244 176.117 -0.247 0.000 1.104 244 I CA 1.174 62.218 61.300 -0.426 0.000 1.397 244 I CB -0.416 37.224 38.000 -0.600 0.000 1.072 244 I HN 0.205 nan 8.210 nan 0.000 0.417 245 E N 0.966 121.001 120.200 -0.275 0.000 2.072 245 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 245 E C 2.359 178.808 176.600 -0.251 0.000 0.985 245 E CA 1.221 57.488 56.400 -0.222 0.000 0.801 245 E CB -0.143 29.433 29.700 -0.207 0.000 0.750 245 E HN 0.491 nan 8.360 nan 0.000 0.452 246 A N 0.477 123.090 122.820 -0.345 0.000 1.902 246 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 246 A C 1.843 179.018 177.584 -0.681 0.000 1.181 246 A CA 1.283 52.894 52.037 -0.710 0.000 0.623 246 A CB -0.780 17.715 19.000 -0.841 0.000 0.818 246 A HN 0.278 nan 8.150 nan 0.000 0.443 247 Y N 1.087 121.236 120.300 -0.253 0.000 2.274 247 Y HA -0.147 4.403 4.550 -0.000 0.000 0.290 247 Y C 2.887 178.885 175.900 0.164 0.000 1.145 247 Y CA 1.624 59.835 58.100 0.185 0.000 1.203 247 Y CB -0.876 37.944 38.460 0.599 0.000 0.984 247 Y HN 0.344 nan 8.280 nan 0.000 0.533 248 T N -1.393 113.292 114.554 0.218 0.000 2.857 248 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 248 T C 2.255 176.962 174.700 0.011 0.000 1.048 248 T CA 1.285 63.481 62.100 0.160 0.000 1.139 248 T CB -0.792 68.112 68.868 0.060 0.000 0.874 248 T HN 0.503 nan 8.240 nan 0.000 0.455 249 G N 0.313 109.019 108.800 -0.158 0.000 2.402 249 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 249 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 249 G C 1.285 176.109 174.900 -0.126 0.000 1.162 249 G CA 0.269 45.249 45.100 -0.200 0.000 0.777 249 G HN 0.423 nan 8.290 nan 0.000 0.539 250 W N 0.870 122.036 121.300 -0.224 0.000 2.436 250 W HA 0.244 4.904 4.660 -0.000 0.000 0.284 250 W C 2.737 179.090 176.519 -0.277 0.000 1.225 250 W CA 0.598 57.685 57.345 -0.431 0.000 1.271 250 W CB -0.790 27.992 29.460 -1.130 0.000 1.114 250 W HN 0.317 nan 8.180 nan 0.000 0.559 251 A N -0.018 122.846 122.820 0.074 0.000 2.072 251 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 251 A C 1.834 179.493 177.584 0.123 0.000 1.156 251 A CA 1.913 54.058 52.037 0.180 0.000 0.701 251 A CB -0.855 18.285 19.000 0.234 0.000 0.816 251 A HN 0.204 nan 8.150 nan 0.000 0.458 252 T N -4.520 110.089 114.554 0.092 0.000 3.040 252 T HA 0.423 4.773 4.350 -0.000 0.000 0.250 252 T C 1.114 175.851 174.700 0.061 0.000 1.058 252 T CA 0.828 62.969 62.100 0.069 0.000 0.988 252 T CB 0.176 69.077 68.868 0.054 0.000 0.993 252 T HN 1.624 nan 8.240 nan 0.000 0.519 253 G N 1.980 110.827 108.800 0.079 0.000 2.341 253 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.278 253 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.278 253 G C 0.601 175.541 174.900 0.066 0.000 1.111 253 G CA 0.207 45.361 45.100 0.089 0.000 0.982 253 G HN 0.230 nan 8.290 nan 0.000 0.502 254 M N -0.036 119.595 119.600 0.052 0.000 2.099 254 M HA 0.054 4.534 4.480 -0.000 0.000 0.262 254 M C 2.157 178.481 176.300 0.039 0.000 1.067 254 M CA 1.771 57.086 55.300 0.024 0.000 1.124 254 M CB -1.606 30.981 32.600 -0.022 0.000 1.353 254 M HN 1.734 nan 8.290 nan 0.000 0.410 255 V N 0.826 120.782 119.914 0.070 0.000 3.849 255 V HA -0.267 3.853 4.120 -0.000 0.000 0.545 255 V C -0.453 175.673 176.094 0.053 0.000 0.692 255 V CA -0.430 61.917 62.300 0.078 0.000 2.109 255 V CB -1.227 30.643 31.823 0.079 0.000 2.495 255 V HN 0.427 nan 8.190 nan 0.000 0.522 256 D N 2.995 123.430 120.400 0.059 0.000 2.398 256 D HA 0.409 5.049 4.640 -0.000 0.000 0.247 256 D C 0.434 176.760 176.300 0.043 0.000 1.227 256 D CA 0.046 54.074 54.000 0.046 0.000 0.980 256 D CB 0.318 41.149 40.800 0.051 0.000 1.106 256 D HN 0.942 nan 8.370 nan 0.000 0.493 257 E N 0.653 120.873 120.200 0.034 0.000 2.159 257 E HA 0.215 4.564 4.350 -0.000 0.000 0.272 257 E C -0.064 176.554 176.600 0.029 0.000 1.138 257 E CA 0.238 56.655 56.400 0.028 0.000 0.915 257 E CB 0.554 30.266 29.700 0.019 0.000 1.028 257 E HN 0.118 nan 8.360 nan 0.000 0.423 258 R N 2.636 123.155 120.500 0.032 0.000 2.535 258 R HA 0.327 4.667 4.340 -0.000 0.000 0.274 258 R C -1.769 174.550 176.300 0.033 0.000 1.090 258 R CA -0.550 55.571 56.100 0.035 0.000 0.930 258 R CB 1.374 31.705 30.300 0.051 0.000 1.223 258 R HN 0.279 nan 8.270 nan 0.000 0.441 259 V N 2.743 122.672 119.914 0.025 0.000 2.483 259 V HA 0.486 4.606 4.120 -0.000 0.000 0.295 259 V C -0.160 175.962 176.094 0.047 0.000 1.035 259 V CA -0.518 61.799 62.300 0.030 0.000 0.896 259 V CB 2.071 33.898 31.823 0.006 0.000 0.986 259 V HN 0.776 nan 8.190 nan 0.000 0.447 260 T N 3.906 118.503 114.554 0.072 0.000 2.779 260 T HA 0.532 4.882 4.350 -0.000 0.000 0.280 260 T C -0.403 174.378 174.700 0.135 0.000 0.987 260 T CA -0.314 61.858 62.100 0.121 0.000 0.966 260 T CB 1.430 70.387 68.868 0.149 0.000 0.933 260 T HN 0.350 nan 8.240 nan 0.000 0.442 261 V N 5.489 125.499 119.914 0.160 0.000 2.398 261 V HA 0.550 4.670 4.120 -0.000 0.000 0.286 261 V C -0.206 176.074 176.094 0.310 0.000 1.026 261 V CA -0.676 61.755 62.300 0.219 0.000 0.868 261 V CB 1.030 32.955 31.823 0.170 0.000 0.982 261 V HN 0.769 nan 8.190 nan 0.000 0.443 262 I N 6.181 126.942 120.570 0.319 0.000 2.608 262 I HA 0.696 4.866 4.170 -0.000 0.000 0.295 262 I C -0.928 175.355 176.117 0.277 0.000 1.049 262 I CA -0.725 60.728 61.300 0.256 0.000 1.063 262 I CB 2.050 40.117 38.000 0.112 0.000 1.248 262 I HN 0.772 nan 8.210 nan 0.000 0.424 263 Y N 2.453 122.805 120.300 0.087 0.000 2.641 263 Y HA 0.671 5.221 4.550 -0.000 0.000 0.333 263 Y C -2.045 173.846 175.900 -0.014 0.000 1.174 263 Y CA -1.104 56.993 58.100 -0.005 0.000 1.057 263 Y CB 1.363 39.883 38.460 0.101 0.000 1.322 263 Y HN 0.407 nan 8.280 nan 0.000 0.457 264 D N 0.314 120.711 120.400 -0.006 0.000 2.423 264 D HA 0.652 5.292 4.640 -0.000 0.000 0.235 264 D C -1.397 174.908 176.300 0.009 0.000 1.011 264 D CA -0.011 53.913 54.000 -0.127 0.000 0.963 264 D CB 2.760 43.425 40.800 -0.225 0.000 1.349 264 D HN 0.807 nan 8.370 nan 0.000 0.508 265 T N 0.335 114.794 114.554 -0.158 0.000 2.853 265 T HA 0.393 4.743 4.350 -0.000 0.000 0.311 265 T C 0.341 174.849 174.700 -0.320 0.000 1.307 265 T CA -0.319 61.704 62.100 -0.128 0.000 1.019 265 T CB 1.284 70.180 68.868 0.047 0.000 1.264 265 T HN 0.333 nan 8.240 nan 0.000 0.497 266 M N 0.975 120.403 119.600 -0.286 0.000 2.858 266 M HA 0.267 4.747 4.480 -0.000 0.000 0.255 266 M C 1.210 177.251 176.300 -0.433 0.000 1.336 266 M CA 0.283 55.339 55.300 -0.407 0.000 1.220 266 M CB 0.190 32.505 32.600 -0.474 0.000 1.252 266 M HN 0.590 nan 8.290 nan 0.000 0.538 267 H N -0.586 118.451 119.070 -0.056 0.000 2.652 267 H HA 0.399 4.955 4.556 -0.000 0.000 0.274 267 H C 1.202 176.494 175.328 -0.060 0.000 1.021 267 H CA 0.819 56.834 56.048 -0.054 0.000 1.187 267 H CB 0.780 30.514 29.762 -0.047 0.000 1.505 267 H HN 0.606 nan 8.280 nan 0.000 0.530 268 G N 0.538 109.344 108.800 0.011 0.000 2.175 268 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.244 268 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.244 268 G C 1.418 176.288 174.900 -0.050 0.000 0.982 268 G CA 0.660 45.741 45.100 -0.032 0.000 0.641 268 G HN 0.385 nan 8.290 nan 0.000 0.527 269 S N -0.004 115.696 115.700 0.000 0.000 2.357 269 S HA -0.040 4.430 4.470 -0.000 0.000 0.221 269 S C 2.440 177.034 174.600 -0.010 0.000 1.031 269 S CA 2.115 60.314 58.200 -0.002 0.000 0.982 269 S CB -0.348 62.878 63.200 0.043 0.000 0.853 269 S HN 0.629 nan 8.310 nan 0.000 0.458 270 T N 1.899 116.462 114.554 0.015 0.000 2.759 270 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 270 T C 1.824 176.464 174.700 -0.100 0.000 1.042 270 T CA 1.431 63.565 62.100 0.056 0.000 1.140 270 T CB -0.217 68.695 68.868 0.074 0.000 0.864 270 T HN 0.401 nan 8.240 nan 0.000 0.455 271 R N 1.352 121.682 120.500 -0.283 0.000 2.083 271 R HA -0.088 4.252 4.340 -0.000 0.000 0.237 271 R C 2.205 178.158 176.300 -0.577 0.000 1.137 271 R CA 1.586 57.294 56.100 -0.652 0.000 0.951 271 R CB -0.122 29.938 30.300 -0.402 0.000 0.851 271 R HN 0.277 nan 8.270 nan 0.000 0.434 272 K N -0.163 120.031 120.400 -0.343 0.000 2.147 272 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 272 K C 2.138 178.639 176.600 -0.165 0.000 1.049 272 K CA 1.845 57.984 56.287 -0.247 0.000 0.936 272 K CB -0.077 32.342 32.500 -0.134 0.000 0.722 272 K HN 0.271 nan 8.250 nan 0.000 0.446 273 M N -0.071 119.443 119.600 -0.142 0.000 2.156 273 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 273 M C 2.352 178.441 176.300 -0.351 0.000 1.067 273 M CA 1.427 56.630 55.300 -0.162 0.000 1.131 273 M CB -0.151 32.443 32.600 -0.010 0.000 1.368 273 M HN 0.216 nan 8.290 nan 0.000 0.416 274 A N -0.461 122.181 122.820 -0.297 0.000 1.902 274 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 274 A C 1.701 179.234 177.584 -0.085 0.000 1.181 274 A CA 1.796 53.675 52.037 -0.265 0.000 0.623 274 A CB -1.021 17.880 19.000 -0.166 0.000 0.818 274 A HN 0.450 nan 8.150 nan 0.000 0.443 275 H N -0.229 118.703 119.070 -0.231 0.000 2.387 275 H HA 0.086 4.642 4.556 -0.000 0.000 0.299 275 H C 2.406 177.659 175.328 -0.125 0.000 1.090 275 H CA 1.116 57.079 56.048 -0.142 0.000 1.332 275 H CB -0.462 29.236 29.762 -0.107 0.000 1.386 275 H HN 0.504 nan 8.280 nan 0.000 0.516 276 A N 0.510 123.324 122.820 -0.011 0.000 1.897 276 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 276 A C 2.481 179.989 177.584 -0.125 0.000 1.181 276 A CA 1.084 53.111 52.037 -0.016 0.000 0.620 276 A CB -0.682 18.322 19.000 0.005 0.000 0.821 276 A HN 0.313 nan 8.150 nan 0.000 0.443 277 I N 0.069 120.500 120.570 -0.231 0.000 2.151 277 I HA -0.359 3.811 4.170 -0.000 0.000 0.243 277 I C 2.988 178.959 176.117 -0.243 0.000 1.080 277 I CA 1.301 62.429 61.300 -0.286 0.000 1.339 277 I CB -0.362 37.380 38.000 -0.431 0.000 1.039 277 I HN 0.368 nan 8.210 nan 0.000 0.409 278 A N 0.142 122.851 122.820 -0.185 0.000 1.908 278 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 278 A C 2.257 179.728 177.584 -0.188 0.000 1.181 278 A CA 1.602 53.545 52.037 -0.156 0.000 0.627 278 A CB -0.494 18.427 19.000 -0.132 0.000 0.818 278 A HN 0.372 nan 8.150 nan 0.000 0.445 279 E N -0.477 119.613 120.200 -0.183 0.000 2.085 279 E HA -0.157 4.192 4.350 -0.000 0.000 0.194 279 E C 2.187 178.489 176.600 -0.495 0.000 0.994 279 E CA 1.224 57.514 56.400 -0.184 0.000 0.801 279 E CB -0.675 29.032 29.700 0.011 0.000 0.743 279 E HN 0.595 nan 8.360 nan 0.000 0.453 280 G N 1.118 109.417 108.800 -0.834 0.000 2.402 280 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 280 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 280 G C 1.760 176.310 174.900 -0.583 0.000 1.162 280 G CA 1.280 45.613 45.100 -1.279 0.000 0.777 280 G HN 0.387 nan 8.290 nan 0.000 0.539 281 A N 0.663 123.274 122.820 -0.348 0.000 1.883 281 A HA -0.016 4.303 4.320 -0.000 0.000 0.217 281 A C 2.453 179.945 177.584 -0.154 0.000 1.186 281 A CA 1.890 53.810 52.037 -0.195 0.000 0.624 281 A CB -0.419 18.502 19.000 -0.132 0.000 0.822 281 A HN 0.370 nan 8.150 nan 0.000 0.444 282 M N 0.502 120.007 119.600 -0.158 0.000 2.202 282 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 282 M C 2.346 178.603 176.300 -0.073 0.000 1.063 282 M CA 1.754 56.995 55.300 -0.098 0.000 1.097 282 M CB -0.359 32.190 32.600 -0.084 0.000 1.382 282 M HN 0.671 nan 8.290 nan 0.000 0.413 283 S N -0.388 115.248 115.700 -0.108 0.000 2.500 283 S HA -0.094 4.376 4.470 -0.000 0.000 0.239 283 S C 1.394 175.990 174.600 -0.008 0.000 0.989 283 S CA 0.873 59.065 58.200 -0.014 0.000 0.951 283 S CB -0.280 62.960 63.200 0.066 0.000 0.759 283 S HN 0.442 nan 8.310 nan 0.000 0.523 284 E N 0.549 120.724 120.200 -0.042 0.000 2.474 284 E HA 0.221 4.571 4.350 -0.000 0.000 0.195 284 E C 1.294 177.887 176.600 -0.012 0.000 1.039 284 E CA 0.511 56.899 56.400 -0.021 0.000 0.881 284 E CB 0.236 29.916 29.700 -0.033 0.000 0.970 284 E HN 0.699 nan 8.360 nan 0.000 0.486 285 G N 1.309 110.100 108.800 -0.014 0.000 2.136 285 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.242 285 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.242 285 G C 0.350 175.247 174.900 -0.005 0.000 0.989 285 G CA 0.393 45.490 45.100 -0.005 0.000 0.682 285 G HN 0.170 nan 8.290 nan 0.000 0.522 286 V N 0.537 120.443 119.914 -0.013 0.000 2.644 286 V HA 0.493 4.613 4.120 -0.000 0.000 0.295 286 V C 0.710 176.799 176.094 -0.007 0.000 1.053 286 V CA -0.477 61.819 62.300 -0.007 0.000 0.987 286 V CB 1.744 33.559 31.823 -0.013 0.000 1.006 286 V HN 0.364 nan 8.190 nan 0.000 0.472 287 D N 2.273 122.677 120.400 0.007 0.000 2.414 287 D HA 0.350 4.990 4.640 -0.000 0.000 0.242 287 D C -0.707 175.595 176.300 0.003 0.000 1.129 287 D CA 0.397 54.403 54.000 0.010 0.000 0.885 287 D CB 1.150 41.969 40.800 0.031 0.000 1.198 287 D HN 0.211 nan 8.370 nan 0.000 0.437 288 V N 4.546 124.454 119.914 -0.009 0.000 2.760 288 V HA 0.560 4.680 4.120 -0.000 0.000 0.309 288 V C -0.181 175.893 176.094 -0.033 0.000 1.077 288 V CA -0.943 61.343 62.300 -0.022 0.000 0.910 288 V CB 2.102 33.894 31.823 -0.051 0.000 1.008 288 V HN 0.471 nan 8.190 nan 0.000 0.424 289 R N 2.388 122.871 120.500 -0.029 0.000 2.686 289 R HA 0.811 5.151 4.340 -0.000 0.000 0.286 289 R C -1.599 174.618 176.300 -0.139 0.000 0.969 289 R CA -0.738 55.297 56.100 -0.107 0.000 0.898 289 R CB 2.387 32.683 30.300 -0.007 0.000 1.183 289 R HN 0.462 nan 8.270 nan 0.000 0.456 290 V N 3.827 123.547 119.914 -0.323 0.000 2.482 290 V HA 0.404 4.524 4.120 -0.000 0.000 0.295 290 V C -1.385 174.506 176.094 -0.338 0.000 1.026 290 V CA -0.802 61.400 62.300 -0.163 0.000 0.856 290 V CB 1.358 33.133 31.823 -0.079 0.000 1.001 290 V HN 0.582 nan 8.190 nan 0.000 0.424 291 Y N 2.646 122.999 120.300 0.088 0.000 2.393 291 Y HA 0.613 5.163 4.550 -0.000 0.000 0.341 291 Y C 0.293 176.095 175.900 -0.164 0.000 0.988 291 Y CA -0.555 57.542 58.100 -0.004 0.000 1.078 291 Y CB 1.862 40.313 38.460 -0.016 0.000 1.203 291 Y HN 0.657 nan 8.280 nan 0.000 0.453 292 C N 5.025 124.252 119.300 -0.122 0.000 2.319 292 C HA 0.429 4.889 4.460 -0.000 0.000 0.335 292 C C 1.403 176.276 174.990 -0.196 0.000 1.274 292 C CA -0.608 58.116 59.018 -0.490 0.000 1.806 292 C CB -0.700 26.790 27.740 -0.417 0.000 2.329 292 C HN 1.051 nan 8.230 nan 0.000 0.524 293 L N 3.881 124.974 121.223 -0.216 0.000 2.362 293 L HA -0.066 4.274 4.340 -0.000 0.000 0.219 293 L C 2.525 179.379 176.870 -0.026 0.000 1.134 293 L CA 0.858 55.650 54.840 -0.080 0.000 0.807 293 L CB -0.708 41.322 42.059 -0.049 0.000 0.927 293 L HN 0.817 nan 8.230 nan 0.000 0.447 294 H N 0.117 119.116 119.070 -0.119 0.000 2.495 294 H HA -0.071 4.485 4.556 -0.000 0.000 0.287 294 H C 1.535 176.841 175.328 -0.037 0.000 1.033 294 H CA 1.148 57.157 56.048 -0.065 0.000 1.307 294 H CB 0.724 30.431 29.762 -0.092 0.000 1.401 294 H HN 0.388 nan 8.280 nan 0.000 0.555 295 E N -0.061 120.175 120.200 0.059 0.000 2.288 295 E HA 0.060 4.410 4.350 -0.000 0.000 0.200 295 E C 0.013 176.630 176.600 0.028 0.000 0.880 295 E CA 0.081 56.514 56.400 0.056 0.000 0.971 295 E CB 0.481 30.225 29.700 0.073 0.000 0.954 295 E HN 0.350 nan 8.360 nan 0.000 0.489 296 D N 1.768 122.188 120.400 0.033 0.000 2.175 296 D HA 0.181 4.821 4.640 -0.000 0.000 0.248 296 D C -0.507 175.775 176.300 -0.030 0.000 1.047 296 D CA -0.253 53.774 54.000 0.046 0.000 0.883 296 D CB 1.544 42.449 40.800 0.176 0.000 1.180 296 D HN -0.108 nan 8.370 nan 0.000 0.438 297 D N -0.255 120.115 120.400 -0.050 0.000 2.341 297 D HA 0.029 4.669 4.640 -0.000 0.000 0.245 297 D C 1.602 177.819 176.300 -0.139 0.000 1.106 297 D CA -0.397 53.547 54.000 -0.093 0.000 0.905 297 D CB 0.933 41.680 40.800 -0.088 0.000 1.202 297 D HN 0.293 nan 8.370 nan 0.000 0.426 298 R N 1.214 121.627 120.500 -0.145 0.000 2.189 298 R HA -0.103 4.237 4.340 -0.000 0.000 0.223 298 R C 1.538 177.803 176.300 -0.059 0.000 1.092 298 R CA 1.306 57.338 56.100 -0.113 0.000 0.989 298 R CB -0.512 29.694 30.300 -0.157 0.000 0.876 298 R HN 0.399 nan 8.270 nan 0.000 0.457 299 S N 0.284 115.900 115.700 -0.140 0.000 2.436 299 S HA -0.078 4.391 4.470 -0.000 0.000 0.228 299 S C 1.719 176.206 174.600 -0.189 0.000 1.014 299 S CA 0.786 58.881 58.200 -0.175 0.000 0.950 299 S CB 0.197 63.138 63.200 -0.432 0.000 0.784 299 S HN 0.281 nan 8.310 nan 0.000 0.504 300 E N 1.698 121.786 120.200 -0.187 0.000 2.051 300 E HA 0.165 4.515 4.350 -0.000 0.000 0.189 300 E C 1.834 178.247 176.600 -0.313 0.000 0.979 300 E CA 0.996 57.293 56.400 -0.171 0.000 0.803 300 E CB -0.539 29.103 29.700 -0.096 0.000 0.761 300 E HN 0.616 nan 8.360 nan 0.000 0.451 301 I N -0.276 119.998 120.570 -0.494 0.000 2.118 301 I HA -0.316 3.853 4.170 -0.000 0.000 0.241 301 I C 2.202 178.155 176.117 -0.272 0.000 1.070 301 I CA 1.054 61.958 61.300 -0.659 0.000 1.327 301 I CB -0.405 37.316 38.000 -0.467 0.000 1.034 301 I HN 0.015 nan 8.210 nan 0.000 0.405 302 V N 0.982 120.842 119.914 -0.090 0.000 2.407 302 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 302 V C 2.554 178.686 176.094 0.064 0.000 1.055 302 V CA 1.955 64.294 62.300 0.065 0.000 1.049 302 V CB -0.710 31.232 31.823 0.199 0.000 0.662 302 V HN 0.441 nan 8.190 nan 0.000 0.455 303 K N -0.128 120.267 120.400 -0.008 0.000 2.074 303 K HA -0.271 4.049 4.320 -0.000 0.000 0.209 303 K C 1.789 178.390 176.600 0.002 0.000 1.048 303 K CA 2.212 58.492 56.287 -0.012 0.000 0.926 303 K CB -0.223 32.262 32.500 -0.025 0.000 0.713 303 K HN 0.419 nan 8.250 nan 0.000 0.444 304 D N 0.669 121.075 120.400 0.010 0.000 2.123 304 D HA -0.068 4.572 4.640 -0.000 0.000 0.200 304 D C 1.950 178.256 176.300 0.010 0.000 0.976 304 D CA 0.840 54.879 54.000 0.064 0.000 0.831 304 D CB -0.097 40.819 40.800 0.194 0.000 0.974 304 D HN 0.270 nan 8.370 nan 0.000 0.469 305 I N 0.610 121.134 120.570 -0.076 0.000 2.185 305 I HA -0.282 3.888 4.170 -0.000 0.000 0.246 305 I C 2.354 178.286 176.117 -0.307 0.000 1.088 305 I CA 0.699 61.859 61.300 -0.235 0.000 1.347 305 I CB -0.243 37.495 38.000 -0.437 0.000 1.041 305 I HN 0.067 nan 8.210 nan 0.000 0.415 306 L N 0.812 121.951 121.223 -0.140 0.000 2.083 306 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 306 L C 2.061 178.973 176.870 0.071 0.000 1.083 306 L CA 1.937 56.824 54.840 0.079 0.000 0.752 306 L CB -0.485 41.646 42.059 0.121 0.000 0.899 306 L HN 0.167 nan 8.230 nan 0.000 0.433 307 E N -0.493 119.742 120.200 0.059 0.000 2.444 307 E HA 0.198 4.548 4.350 -0.000 0.000 0.191 307 E C 0.025 176.671 176.600 0.076 0.000 1.041 307 E CA 0.027 56.494 56.400 0.112 0.000 0.883 307 E CB 0.199 29.981 29.700 0.136 0.000 1.024 307 E HN 0.365 nan 8.360 nan 0.000 0.470 308 S N -0.491 115.230 115.700 0.034 0.000 2.472 308 S HA 0.425 4.895 4.470 -0.000 0.000 0.303 308 S C 1.062 175.680 174.600 0.030 0.000 1.099 308 S CA -0.526 57.694 58.200 0.034 0.000 1.077 308 S CB 1.901 65.119 63.200 0.029 0.000 1.031 308 S HN 0.270 nan 8.310 nan 0.000 0.487 309 G N 1.107 109.931 108.800 0.040 0.000 2.551 309 G HA2 0.431 4.391 3.960 -0.000 0.000 0.216 309 G HA3 0.431 4.391 3.960 -0.000 0.000 0.216 309 G C 0.221 175.155 174.900 0.056 0.000 1.137 309 G CA 0.463 45.587 45.100 0.040 0.000 0.798 309 G HN 0.939 nan 8.290 nan 0.000 0.536 310 A N -0.298 122.560 122.820 0.063 0.000 2.520 310 A HA 0.700 5.020 4.320 -0.000 0.000 0.298 310 A C -0.903 176.726 177.584 0.075 0.000 1.051 310 A CA -0.754 51.331 52.037 0.080 0.000 0.690 310 A CB 1.230 20.262 19.000 0.055 0.000 1.281 310 A HN 0.662 nan 8.150 nan 0.000 0.402 311 I N -1.278 119.340 120.570 0.080 0.000 3.002 311 I HA 0.978 5.148 4.170 -0.000 0.000 0.310 311 I C -0.170 175.981 176.117 0.056 0.000 1.087 311 I CA -1.185 60.140 61.300 0.042 0.000 1.017 311 I CB 2.460 40.433 38.000 -0.046 0.000 1.226 311 I HN 0.864 nan 8.210 nan 0.000 0.443 312 A N 4.255 127.138 122.820 0.105 0.000 2.343 312 A HA 0.798 5.118 4.320 -0.000 0.000 0.308 312 A C -1.486 176.247 177.584 0.250 0.000 1.092 312 A CA -0.486 51.682 52.037 0.218 0.000 0.751 312 A CB 1.487 20.648 19.000 0.268 0.000 1.203 312 A HN 0.727 nan 8.150 nan 0.000 0.452 313 L N 2.536 123.831 121.223 0.120 0.000 2.349 313 L HA 0.848 5.188 4.340 -0.000 0.000 0.278 313 L C 0.130 176.701 176.870 -0.497 0.000 0.996 313 L CA -0.004 54.779 54.840 -0.095 0.000 0.825 313 L CB 1.596 43.578 42.059 -0.127 0.000 1.243 313 L HN 0.844 nan 8.230 nan 0.000 0.412 314 G N 3.400 111.699 108.800 -0.835 0.000 2.571 314 G HA2 0.901 4.861 3.960 -0.000 0.000 0.304 314 G HA3 0.901 4.861 3.960 -0.000 0.000 0.304 314 G C -1.807 172.801 174.900 -0.486 0.000 1.314 314 G CA -0.195 44.056 45.100 -1.416 0.000 0.975 314 G HN 1.076 nan 8.290 nan 0.000 0.485 315 A N 2.261 124.889 122.820 -0.320 0.000 2.582 315 A HA 0.846 5.166 4.320 -0.000 0.000 0.297 315 A C -3.133 174.431 177.584 -0.033 0.000 1.059 315 A CA -1.029 50.954 52.037 -0.090 0.000 0.705 315 A CB 1.960 20.945 19.000 -0.025 0.000 1.279 315 A HN 0.582 nan 8.150 nan 0.000 0.404 316 P HA 0.332 nan 4.420 nan 0.000 0.274 316 P C 0.016 177.353 177.300 0.062 0.000 1.246 316 P CA 0.120 63.246 63.100 0.043 0.000 0.795 316 P CB 1.083 32.812 31.700 0.049 0.000 1.006 317 T N 1.052 115.632 114.554 0.043 0.000 2.845 317 T HA 0.544 4.894 4.350 -0.000 0.000 0.288 317 T C -0.325 174.382 174.700 0.011 0.000 0.980 317 T CA -0.614 61.506 62.100 0.033 0.000 1.071 317 T CB -0.431 68.452 68.868 0.025 0.000 0.941 317 T HN 0.209 nan 8.240 nan 0.000 0.487 318 I N 5.485 126.052 120.570 -0.005 0.000 2.497 318 I HA 0.255 4.425 4.170 -0.000 0.000 0.284 318 I C -0.879 175.221 176.117 -0.030 0.000 1.060 318 I CA -0.912 60.327 61.300 -0.102 0.000 1.071 318 I CB 1.377 39.339 38.000 -0.064 0.000 1.216 318 I HN 0.766 nan 8.210 nan 0.000 0.442 319 Y N 4.490 124.811 120.300 0.036 0.000 3.305 319 Y HA -0.291 4.259 4.550 -0.000 0.000 0.212 319 Y C 0.816 176.725 175.900 0.015 0.000 1.248 319 Y CA 1.020 59.134 58.100 0.023 0.000 1.359 319 Y CB -2.030 36.438 38.460 0.013 0.000 1.407 319 Y HN 0.793 nan 8.280 nan 0.000 0.572 320 D N -2.009 118.473 120.400 0.137 0.000 3.070 320 D HA -0.160 4.480 4.640 -0.000 0.000 0.210 320 D C 0.131 176.467 176.300 0.060 0.000 1.103 320 D CA 1.547 55.598 54.000 0.085 0.000 0.980 320 D CB -0.388 40.461 40.800 0.081 0.000 1.100 320 D HN 0.603 nan 8.370 nan 0.000 0.423 321 E N -0.548 119.687 120.200 0.058 0.000 2.359 321 E HA 0.510 4.859 4.350 -0.000 0.000 0.266 321 E C -2.468 174.149 176.600 0.029 0.000 0.920 321 E CA -1.639 54.783 56.400 0.036 0.000 0.788 321 E CB 1.856 31.575 29.700 0.031 0.000 1.279 321 E HN -0.047 nan 8.360 nan 0.000 0.438 322 P HA 0.061 nan 4.420 nan 0.000 0.274 322 P C -0.274 177.058 177.300 0.053 0.000 1.231 322 P CA -0.351 62.771 63.100 0.036 0.000 0.790 322 P CB 0.230 31.941 31.700 0.018 0.000 0.951 323 Y N 4.478 124.764 120.300 -0.024 0.000 2.969 323 Y HA -0.112 4.438 4.550 -0.000 0.000 0.339 323 Y C -0.838 175.054 175.900 -0.014 0.000 1.272 323 Y CA -0.490 57.599 58.100 -0.018 0.000 1.577 323 Y CB -0.367 38.082 38.460 -0.018 0.000 1.234 323 Y HN 0.402 nan 8.280 nan 0.000 0.590 324 P HA -0.277 nan 4.420 nan 0.000 0.217 324 P C 1.522 178.750 177.300 -0.120 0.000 1.148 324 P CA 2.341 65.278 63.100 -0.272 0.000 0.834 324 P CB -0.136 31.349 31.700 -0.358 0.000 0.783 325 S N -0.559 115.126 115.700 -0.026 0.000 2.400 325 S HA -0.136 4.334 4.470 -0.000 0.000 0.232 325 S C 2.054 176.688 174.600 0.056 0.000 1.025 325 S CA 1.468 59.720 58.200 0.086 0.000 0.993 325 S CB -1.844 61.502 63.200 0.244 0.000 0.808 325 S HN -0.007 nan 8.310 nan 0.000 0.478 326 V N 2.441 122.398 119.914 0.072 0.000 2.380 326 V HA -0.139 3.981 4.120 -0.000 0.000 0.251 326 V C 2.898 178.998 176.094 0.011 0.000 1.063 326 V CA 1.906 64.224 62.300 0.029 0.000 1.055 326 V CB -1.731 30.109 31.823 0.028 0.000 0.657 326 V HN 0.692 nan 8.190 nan 0.000 0.455 327 G N -0.488 108.313 108.800 0.002 0.000 2.422 327 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 327 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 327 G C 1.414 176.321 174.900 0.012 0.000 1.146 327 G CA 0.962 46.063 45.100 0.001 0.000 0.769 327 G HN 0.556 nan 8.290 nan 0.000 0.547 328 D N 0.616 121.018 120.400 0.005 0.000 2.078 328 D HA -0.118 4.522 4.640 -0.000 0.000 0.193 328 D C 2.455 178.781 176.300 0.043 0.000 0.990 328 D CA 0.899 54.902 54.000 0.005 0.000 0.827 328 D CB -0.461 40.323 40.800 -0.026 0.000 0.975 328 D HN 0.151 nan 8.370 nan 0.000 0.451 329 L N 0.681 121.927 121.223 0.039 0.000 2.012 329 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 329 L C 2.558 179.491 176.870 0.105 0.000 1.073 329 L CA 1.446 56.334 54.840 0.081 0.000 0.748 329 L CB -0.727 41.349 42.059 0.028 0.000 0.891 329 L HN 0.135 nan 8.230 nan 0.000 0.431 330 L N -1.411 119.845 121.223 0.056 0.000 2.083 330 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 330 L C 2.581 179.503 176.870 0.086 0.000 1.083 330 L CA 1.781 56.653 54.840 0.053 0.000 0.752 330 L CB -0.440 41.632 42.059 0.022 0.000 0.899 330 L HN 0.446 nan 8.230 nan 0.000 0.433 331 M N -1.775 117.880 119.600 0.092 0.000 2.200 331 M HA -0.234 4.246 4.480 -0.000 0.000 0.265 331 M C 2.366 178.758 176.300 0.153 0.000 1.066 331 M CA 1.582 56.939 55.300 0.096 0.000 1.127 331 M CB -0.144 32.499 32.600 0.072 0.000 1.379 331 M HN 0.152 nan 8.290 nan 0.000 0.420 332 Y N 1.272 121.586 120.300 0.024 0.000 2.181 332 Y HA -0.173 4.377 4.550 -0.000 0.000 0.288 332 Y C 1.850 177.789 175.900 0.064 0.000 1.146 332 Y CA 1.704 59.822 58.100 0.030 0.000 1.164 332 Y CB -0.559 37.915 38.460 0.022 0.000 0.982 332 Y HN 0.204 nan 8.280 nan 0.000 0.515 333 L N -0.435 120.859 121.223 0.119 0.000 2.131 333 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 333 L C 2.672 179.608 176.870 0.110 0.000 1.092 333 L CA 1.478 56.400 54.840 0.138 0.000 0.759 333 L CB -0.462 41.740 42.059 0.239 0.000 0.903 333 L HN 0.130 nan 8.230 nan 0.000 0.435 334 R N -0.114 120.439 120.500 0.087 0.000 2.115 334 R HA -0.111 4.229 4.340 -0.000 0.000 0.230 334 R C 2.145 178.449 176.300 0.007 0.000 1.111 334 R CA 1.209 57.347 56.100 0.063 0.000 0.976 334 R CB -0.203 30.133 30.300 0.060 0.000 0.870 334 R HN 0.390 nan 8.270 nan 0.000 0.445 335 G N -0.228 108.556 108.800 -0.027 0.000 2.494 335 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.216 335 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.216 335 G C 1.061 175.865 174.900 -0.159 0.000 1.140 335 G CA -0.070 44.987 45.100 -0.070 0.000 0.801 335 G HN 0.105 nan 8.290 nan 0.000 0.536 336 L N 0.229 121.302 121.223 -0.249 0.000 2.270 336 L HA 0.224 4.564 4.340 -0.000 0.000 0.210 336 L C 1.192 177.834 176.870 -0.379 0.000 1.104 336 L CA 0.544 55.143 54.840 -0.401 0.000 0.804 336 L CB -0.525 41.189 42.059 -0.575 0.000 0.937 336 L HN 0.333 nan 8.230 nan 0.000 0.450 337 K N -1.077 119.212 120.400 -0.186 0.000 3.653 337 K HA -0.264 4.056 4.320 -0.000 0.000 0.275 337 K C 0.720 177.216 176.600 -0.174 0.000 0.962 337 K CA 0.302 56.515 56.287 -0.123 0.000 0.773 337 K CB -2.412 30.023 32.500 -0.110 0.000 1.463 337 K HN 0.087 nan 8.250 nan 0.000 0.450 338 F N 1.530 121.392 119.950 -0.147 0.000 2.449 338 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 338 F C 2.219 177.880 175.800 -0.232 0.000 1.092 338 F CA 1.511 59.392 58.000 -0.199 0.000 1.446 338 F CB -0.129 38.695 39.000 -0.292 0.000 1.084 338 F HN 0.476 nan 8.300 nan 0.000 0.567 339 N N 0.751 119.403 118.700 -0.079 0.000 2.550 339 N HA -0.122 4.617 4.740 -0.000 0.000 0.186 339 N C 1.267 176.753 175.510 -0.040 0.000 1.110 339 N CA 0.529 53.527 53.050 -0.087 0.000 0.912 339 N CB -0.421 38.014 38.487 -0.086 0.000 0.968 339 N HN 0.336 nan 8.380 nan 0.000 0.448 340 R N 0.297 120.775 120.500 -0.036 0.000 2.313 340 R HA 0.052 4.392 4.340 -0.000 0.000 0.199 340 R C 1.402 177.710 176.300 0.014 0.000 0.958 340 R CA 1.076 57.163 56.100 -0.020 0.000 1.047 340 R CB 0.209 30.483 30.300 -0.043 0.000 0.955 340 R HN 0.505 nan 8.270 nan 0.000 0.481 341 T N -3.300 111.276 114.554 0.035 0.000 3.138 341 T HA 0.258 4.608 4.350 -0.000 0.000 0.245 341 T C 0.484 175.215 174.700 0.052 0.000 0.982 341 T CA -0.108 62.036 62.100 0.072 0.000 1.134 341 T CB 0.608 69.559 68.868 0.139 0.000 1.032 341 T HN 0.024 nan 8.240 nan 0.000 0.442 342 L N 1.730 122.972 121.223 0.032 0.000 2.676 342 L HA 0.381 4.721 4.340 -0.000 0.000 0.262 342 L C -1.446 175.385 176.870 -0.064 0.000 0.932 342 L CA -0.579 54.261 54.840 0.001 0.000 0.932 342 L CB 2.321 44.393 42.059 0.020 0.000 1.355 342 L HN 0.142 nan 8.230 nan 0.000 0.421 343 T N 4.559 119.075 114.554 -0.063 0.000 2.825 343 T HA 0.199 4.549 4.350 -0.000 0.000 0.270 343 T C 0.426 175.082 174.700 -0.074 0.000 0.919 343 T CA -0.029 62.011 62.100 -0.099 0.000 1.159 343 T CB -0.430 68.412 68.868 -0.043 0.000 0.889 343 T HN 0.413 nan 8.240 nan 0.000 0.565 344 R N 2.665 123.076 120.500 -0.149 0.000 2.582 344 R HA 0.270 4.610 4.340 -0.000 0.000 0.271 344 R C 0.554 176.942 176.300 0.146 0.000 1.078 344 R CA -0.661 55.441 56.100 0.003 0.000 1.127 344 R CB 0.597 30.908 30.300 0.020 0.000 1.038 344 R HN 0.324 nan 8.270 nan 0.000 0.500 345 K N 1.052 121.534 120.400 0.136 0.000 2.154 345 K HA 0.461 4.781 4.320 -0.000 0.000 0.264 345 K C -0.433 176.270 176.600 0.172 0.000 1.008 345 K CA -0.300 56.068 56.287 0.134 0.000 0.937 345 K CB 1.737 34.286 32.500 0.082 0.000 1.002 345 K HN 0.690 nan 8.250 nan 0.000 0.469 346 A N 1.982 124.886 122.820 0.139 0.000 2.486 346 A HA 0.600 4.920 4.320 -0.000 0.000 0.300 346 A C -1.673 175.958 177.584 0.078 0.000 1.048 346 A CA -0.739 51.356 52.037 0.096 0.000 0.696 346 A CB 1.314 20.353 19.000 0.065 0.000 1.278 346 A HN 0.504 nan 8.150 nan 0.000 0.405 347 L N 2.387 123.661 121.223 0.084 0.000 2.356 347 L HA 0.765 5.105 4.340 -0.000 0.000 0.277 347 L C -1.244 175.732 176.870 0.176 0.000 0.996 347 L CA -0.426 54.486 54.840 0.120 0.000 0.822 347 L CB 1.863 43.990 42.059 0.115 0.000 1.256 347 L HN 0.466 nan 8.230 nan 0.000 0.413 348 V N 6.245 126.252 119.914 0.155 0.000 2.435 348 V HA 0.640 4.760 4.120 -0.000 0.000 0.290 348 V C -0.436 175.791 176.094 0.220 0.000 1.030 348 V CA -0.257 62.112 62.300 0.114 0.000 0.881 348 V CB 1.271 33.116 31.823 0.037 0.000 0.983 348 V HN 0.730 nan 8.190 nan 0.000 0.445 349 F N 2.251 122.215 119.950 0.023 0.000 2.685 349 F HA 1.039 5.566 4.527 -0.000 0.000 0.315 349 F C -0.097 175.721 175.800 0.030 0.000 1.126 349 F CA -0.657 57.357 58.000 0.023 0.000 0.950 349 F CB 1.839 40.849 39.000 0.016 0.000 1.360 349 F HN 0.837 nan 8.300 nan 0.000 0.469 350 G N 0.157 109.066 108.800 0.182 0.000 2.340 350 G HA2 0.451 4.411 3.960 -0.000 0.000 0.300 350 G HA3 0.451 4.411 3.960 -0.000 0.000 0.300 350 G C -2.059 172.904 174.900 0.104 0.000 1.488 350 G CA -0.388 44.760 45.100 0.080 0.000 0.878 350 G HN 0.975 nan 8.290 nan 0.000 0.618 351 S N -0.930 114.820 115.700 0.084 0.000 2.646 351 S HA 0.880 5.350 4.470 -0.000 0.000 0.276 351 S C 0.166 174.790 174.600 0.040 0.000 1.222 351 S CA 0.471 58.711 58.200 0.066 0.000 1.014 351 S CB 0.847 64.089 63.200 0.071 0.000 0.991 351 S HN 1.568 nan 8.310 nan 0.000 0.533 352 M N 1.504 121.104 119.600 0.001 0.000 2.880 352 M HA 0.683 5.163 4.480 -0.000 0.000 0.269 352 M C -0.023 176.131 176.300 -0.243 0.000 1.248 352 M CA -0.461 54.814 55.300 -0.041 0.000 0.821 352 M CB 0.839 33.438 32.600 -0.001 0.000 1.650 352 M HN 0.472 nan 8.290 nan 0.000 0.479 353 G N -1.630 106.998 108.800 -0.288 0.000 3.829 353 G HA2 0.599 4.559 3.960 -0.000 0.000 0.279 353 G HA3 0.599 4.559 3.960 -0.000 0.000 0.279 353 G C 0.069 174.896 174.900 -0.123 0.000 1.008 353 G CA 0.242 44.908 45.100 -0.725 0.000 0.840 353 G HN 1.192 nan 8.290 nan 0.000 0.474 354 G N 0.469 109.265 108.800 -0.007 0.000 3.409 354 G HA2 0.088 4.048 3.960 -0.000 0.000 0.168 354 G HA3 0.088 4.048 3.960 -0.000 0.000 0.168 354 G C 0.506 175.401 174.900 -0.008 0.000 1.403 354 G CA 0.122 45.234 45.100 0.021 0.000 1.195 354 G HN 0.138 nan 8.290 nan 0.000 0.751 355 N N 0.263 118.967 118.700 0.007 0.000 2.392 355 N HA 0.328 5.068 4.740 -0.000 0.000 0.177 355 N C 1.232 176.746 175.510 0.006 0.000 1.066 355 N CA 0.551 53.602 53.050 0.001 0.000 0.895 355 N CB 1.040 39.536 38.487 0.015 0.000 0.988 355 N HN 0.830 nan 8.380 nan 0.000 0.457 356 G N 0.143 108.951 108.800 0.013 0.000 2.539 356 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.256 356 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.256 356 G C 0.563 175.476 174.900 0.022 0.000 1.233 356 G CA -0.122 44.988 45.100 0.017 0.000 0.936 356 G HN 0.625 nan 8.290 nan 0.000 0.571 357 G N -2.799 106.013 108.800 0.021 0.000 2.380 357 G HA2 0.237 4.197 3.960 -0.000 0.000 0.197 357 G HA3 0.237 4.197 3.960 -0.000 0.000 0.197 357 G C 1.772 176.683 174.900 0.019 0.000 1.001 357 G CA 1.410 46.522 45.100 0.021 0.000 0.668 357 G HN 2.355 nan 8.290 nan 0.000 0.483 358 A N 0.767 123.598 122.820 0.018 0.000 1.883 358 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 358 A C 2.625 180.209 177.584 -0.000 0.000 1.186 358 A CA 3.415 55.458 52.037 0.010 0.000 0.624 358 A CB -1.139 17.867 19.000 0.009 0.000 0.822 358 A HN 1.444 nan 8.150 nan 0.000 0.444 359 T N -2.995 111.560 114.554 0.003 0.000 2.985 359 T HA 0.135 4.485 4.350 -0.000 0.000 0.266 359 T C 1.823 176.530 174.700 0.012 0.000 1.076 359 T CA 1.233 63.334 62.100 0.002 0.000 1.135 359 T CB -0.521 68.360 68.868 0.021 0.000 0.890 359 T HN 0.402 nan 8.240 nan 0.000 0.480 360 G N 1.504 110.314 108.800 0.016 0.000 2.402 360 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.216 360 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.216 360 G C 1.655 176.563 174.900 0.015 0.000 1.162 360 G CA 1.237 46.347 45.100 0.018 0.000 0.777 360 G HN 0.514 nan 8.290 nan 0.000 0.539 361 T N 1.271 115.832 114.554 0.012 0.000 2.777 361 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 361 T C 2.533 177.236 174.700 0.005 0.000 1.040 361 T CA 1.141 63.248 62.100 0.010 0.000 1.141 361 T CB -0.178 68.696 68.868 0.010 0.000 0.868 361 T HN 0.165 nan 8.240 nan 0.000 0.444 362 M N 0.763 120.360 119.600 -0.005 0.000 2.175 362 M HA -0.045 4.435 4.480 -0.000 0.000 0.264 362 M C 2.438 178.733 176.300 -0.008 0.000 1.063 362 M CA 1.371 56.660 55.300 -0.019 0.000 1.119 362 M CB -0.348 32.225 32.600 -0.046 0.000 1.377 362 M HN 0.119 nan 8.290 nan 0.000 0.415 363 K N 0.748 121.151 120.400 0.006 0.000 2.063 363 K HA -0.238 4.082 4.320 -0.000 0.000 0.208 363 K C 1.857 178.476 176.600 0.031 0.000 1.048 363 K CA 1.768 58.068 56.287 0.022 0.000 0.928 363 K CB -0.061 32.456 32.500 0.028 0.000 0.713 363 K HN 0.322 nan 8.250 nan 0.000 0.442 364 E N 0.367 120.583 120.200 0.027 0.000 2.031 364 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 364 E C 2.092 178.714 176.600 0.037 0.000 0.994 364 E CA 1.224 57.642 56.400 0.031 0.000 0.800 364 E CB -0.006 29.709 29.700 0.024 0.000 0.752 364 E HN 0.320 nan 8.360 nan 0.000 0.447 365 L N 0.600 121.840 121.223 0.029 0.000 2.156 365 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 365 L C 2.544 179.446 176.870 0.052 0.000 1.095 365 L CA 0.455 55.315 54.840 0.034 0.000 0.770 365 L CB -0.239 41.832 42.059 0.020 0.000 0.914 365 L HN 0.244 nan 8.230 nan 0.000 0.439 366 L N -0.277 120.967 121.223 0.036 0.000 2.056 366 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 366 L C 2.863 179.846 176.870 0.189 0.000 1.078 366 L CA 1.140 56.011 54.840 0.052 0.000 0.749 366 L CB -0.517 41.512 42.059 -0.050 0.000 0.901 366 L HN 0.255 nan 8.230 nan 0.000 0.433 367 A N -0.372 122.529 122.820 0.135 0.000 1.933 367 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 367 A C 2.095 179.751 177.584 0.121 0.000 1.175 367 A CA 1.617 53.735 52.037 0.136 0.000 0.628 367 A CB -0.433 18.621 19.000 0.088 0.000 0.814 367 A HN 0.432 nan 8.150 nan 0.000 0.444 368 E N -0.498 119.761 120.200 0.098 0.000 2.153 368 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 368 E C 1.821 178.485 176.600 0.106 0.000 0.988 368 E CA 0.830 57.279 56.400 0.081 0.000 0.811 368 E CB -0.188 29.548 29.700 0.060 0.000 0.746 368 E HN 0.614 nan 8.360 nan 0.000 0.466 369 A N -0.148 122.776 122.820 0.174 0.000 2.278 369 A HA 0.280 4.600 4.320 -0.000 0.000 0.212 369 A C 1.439 179.184 177.584 0.269 0.000 1.213 369 A CA 0.713 52.899 52.037 0.248 0.000 0.840 369 A CB -0.191 19.004 19.000 0.325 0.000 0.866 369 A HN 0.305 nan 8.150 nan 0.000 0.489 370 G N -1.850 107.050 108.800 0.166 0.000 2.132 370 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.228 370 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.228 370 G C -0.179 174.629 174.900 -0.152 0.000 1.000 370 G CA 0.085 45.182 45.100 -0.005 0.000 0.693 370 G HN 0.300 nan 8.290 nan 0.000 0.515 371 F N 0.323 120.303 119.950 0.049 0.000 2.440 371 F HA 0.571 5.098 4.527 -0.000 0.000 0.328 371 F C 0.441 176.261 175.800 0.033 0.000 1.070 371 F CA -1.368 56.654 58.000 0.038 0.000 1.011 371 F CB 1.352 40.369 39.000 0.028 0.000 1.226 371 F HN -0.014 nan 8.300 nan 0.000 0.491 372 D N 1.967 122.482 120.400 0.192 0.000 2.467 372 D HA 0.185 4.825 4.640 -0.000 0.000 0.220 372 D C -1.291 175.084 176.300 0.125 0.000 1.103 372 D CA 0.138 54.210 54.000 0.120 0.000 0.886 372 D CB 1.275 42.120 40.800 0.076 0.000 1.025 372 D HN 0.355 nan 8.370 nan 0.000 0.514 373 V N 3.905 123.885 119.914 0.111 0.000 2.284 373 V HA 0.659 4.779 4.120 -0.000 0.000 0.274 373 V C -0.587 175.548 176.094 0.068 0.000 1.023 373 V CA -0.415 61.940 62.300 0.092 0.000 0.808 373 V CB 0.566 32.440 31.823 0.086 0.000 1.035 373 V HN 0.580 nan 8.190 nan 0.000 0.445 374 A N 4.708 127.565 122.820 0.062 0.000 2.312 374 A HA 0.805 5.125 4.320 -0.000 0.000 0.326 374 A C 0.087 177.702 177.584 0.052 0.000 1.172 374 A CA -0.091 51.976 52.037 0.051 0.000 0.821 374 A CB 0.775 19.801 19.000 0.044 0.000 1.166 374 A HN 1.692 nan 8.150 nan 0.000 0.493 375 C N 1.139 120.469 119.300 0.049 0.000 0.275 375 C HA -0.040 4.420 4.460 -0.000 0.000 0.041 375 C C -0.066 174.964 174.990 0.067 0.000 0.185 375 C CA 0.460 59.509 59.018 0.052 0.000 0.707 375 C CB -1.923 25.846 27.740 0.048 0.000 3.186 375 C HN 1.096 nan 8.230 nan 0.000 1.105 376 E N 2.720 122.960 120.200 0.067 0.000 2.227 376 E HA 0.729 5.079 4.350 -0.000 0.000 0.268 376 E C -0.908 175.747 176.600 0.093 0.000 0.907 376 E CA -0.621 55.832 56.400 0.088 0.000 0.786 376 E CB 1.825 31.567 29.700 0.071 0.000 1.191 376 E HN 0.577 nan 8.360 nan 0.000 0.411 377 E N 2.012 122.292 120.200 0.134 0.000 2.092 377 E HA 0.258 4.608 4.350 -0.000 0.000 0.271 377 E C -0.942 175.739 176.600 0.136 0.000 0.919 377 E CA -0.358 56.112 56.400 0.118 0.000 0.760 377 E CB 1.597 31.356 29.700 0.099 0.000 1.106 377 E HN 0.463 nan 8.360 nan 0.000 0.408 378 E N 2.132 122.388 120.200 0.094 0.000 2.165 378 E HA 0.390 4.740 4.350 -0.000 0.000 0.266 378 E C -1.026 175.623 176.600 0.082 0.000 0.889 378 E CA -0.675 55.776 56.400 0.085 0.000 0.756 378 E CB 2.187 31.924 29.700 0.061 0.000 1.131 378 E HN 0.131 nan 8.360 nan 0.000 0.411 379 V N 4.089 124.057 119.914 0.091 0.000 2.604 379 V HA 0.204 4.324 4.120 -0.000 0.000 0.305 379 V C -0.634 175.530 176.094 0.116 0.000 1.043 379 V CA -0.905 61.454 62.300 0.098 0.000 0.888 379 V CB 1.578 33.452 31.823 0.084 0.000 0.995 379 V HN 0.636 nan 8.190 nan 0.000 0.429 380 Y N 5.479 125.765 120.300 -0.024 0.000 2.480 380 Y HA 0.365 4.915 4.550 -0.000 0.000 0.341 380 Y C 0.661 176.566 175.900 0.009 0.000 1.031 380 Y CA 0.261 58.308 58.100 -0.089 0.000 1.295 380 Y CB -0.141 38.270 38.460 -0.082 0.000 1.162 380 Y HN 0.742 nan 8.280 nan 0.000 0.523 381 Y N 1.232 121.331 120.300 -0.335 0.000 2.850 381 Y HA -0.405 4.145 4.550 -0.000 0.000 0.469 381 Y C 0.332 176.138 175.900 -0.157 0.000 1.165 381 Y CA 0.496 58.396 58.100 -0.334 0.000 2.638 381 Y CB -1.821 36.300 38.460 -0.565 0.000 1.196 381 Y HN 0.312 nan 8.280 nan 0.000 0.625 382 V N 4.770 124.715 119.914 0.051 0.000 2.488 382 V HA 0.250 4.370 4.120 -0.000 0.000 0.277 382 V C -1.906 174.202 176.094 0.023 0.000 1.046 382 V CA -1.247 61.060 62.300 0.012 0.000 0.986 382 V CB 0.867 32.673 31.823 -0.028 0.000 0.989 382 V HN 0.321 nan 8.190 nan 0.000 0.475 383 P HA 0.179 nan 4.420 nan 0.000 0.276 383 P C 0.148 177.459 177.300 0.018 0.000 1.235 383 P CA -0.094 63.023 63.100 0.027 0.000 0.772 383 P CB 0.572 32.283 31.700 0.018 0.000 0.871 384 T N -0.325 114.246 114.554 0.027 0.000 2.726 384 T HA 0.205 4.555 4.350 -0.000 0.000 0.294 384 T C 1.822 176.528 174.700 0.009 0.000 1.013 384 T CA 0.147 62.259 62.100 0.019 0.000 0.996 384 T CB -0.071 68.813 68.868 0.027 0.000 1.016 384 T HN 0.428 nan 8.240 nan 0.000 0.529 385 G N 0.286 109.087 108.800 0.002 0.000 2.459 385 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 385 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 385 G C 1.221 176.116 174.900 -0.007 0.000 1.183 385 G CA 0.846 45.942 45.100 -0.007 0.000 0.776 385 G HN 0.842 nan 8.290 nan 0.000 0.552 386 D N 0.725 121.123 120.400 -0.004 0.000 2.133 386 D HA -0.107 4.533 4.640 -0.000 0.000 0.195 386 D C 2.319 178.625 176.300 0.009 0.000 0.997 386 D CA 1.160 55.159 54.000 -0.002 0.000 0.840 386 D CB -0.224 40.577 40.800 0.002 0.000 0.947 386 D HN 0.480 nan 8.370 nan 0.000 0.452 387 E N 0.095 120.305 120.200 0.018 0.000 2.150 387 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 387 E C 2.313 178.926 176.600 0.022 0.000 0.985 387 E CA 0.289 56.705 56.400 0.026 0.000 0.814 387 E CB 0.053 29.775 29.700 0.036 0.000 0.752 387 E HN 0.275 nan 8.360 nan 0.000 0.466 388 L N 0.719 121.952 121.223 0.017 0.000 2.179 388 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 388 L C 1.752 178.652 176.870 0.050 0.000 1.096 388 L CA 0.573 55.425 54.840 0.022 0.000 0.779 388 L CB -0.111 41.956 42.059 0.013 0.000 0.922 388 L HN 0.021 nan 8.230 nan 0.000 0.443 389 D N 0.510 120.922 120.400 0.020 0.000 2.149 389 D HA -0.187 4.453 4.640 -0.000 0.000 0.198 389 D C 2.187 178.527 176.300 0.067 0.000 0.990 389 D CA 1.497 55.500 54.000 0.006 0.000 0.839 389 D CB 0.034 40.807 40.800 -0.046 0.000 0.948 389 D HN 0.317 nan 8.370 nan 0.000 0.460 390 A N -0.127 122.723 122.820 0.049 0.000 1.929 390 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 390 A C 2.479 180.097 177.584 0.056 0.000 1.176 390 A CA 0.963 53.032 52.037 0.052 0.000 0.628 390 A CB -0.775 18.246 19.000 0.035 0.000 0.816 390 A HN 0.338 nan 8.150 nan 0.000 0.444 391 C N -1.960 117.364 119.300 0.039 0.000 2.446 391 C HA -0.050 4.410 4.460 -0.000 0.000 0.277 391 C C 2.384 177.377 174.990 0.005 0.000 1.275 391 C CA 0.887 59.893 59.018 -0.020 0.000 1.727 391 C CB -1.626 26.066 27.740 -0.079 0.000 2.010 391 C HN 0.698 nan 8.230 nan 0.000 0.486 392 F N 2.290 122.196 119.950 -0.074 0.000 2.065 392 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 392 F C 2.429 178.201 175.800 -0.046 0.000 1.112 392 F CA 2.399 60.363 58.000 -0.059 0.000 1.212 392 F CB -0.307 38.668 39.000 -0.042 0.000 0.975 392 F HN 0.179 nan 8.300 nan 0.000 0.476 393 E N 0.809 121.209 120.200 0.333 0.000 2.118 393 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 393 E C 2.056 178.686 176.600 0.050 0.000 0.992 393 E CA 1.531 58.053 56.400 0.203 0.000 0.804 393 E CB -0.607 29.184 29.700 0.151 0.000 0.741 393 E HN 0.439 nan 8.360 nan 0.000 0.458 394 A N 0.105 122.933 122.820 0.013 0.000 1.902 394 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 394 A C 2.485 180.030 177.584 -0.064 0.000 1.181 394 A CA 1.795 53.820 52.037 -0.020 0.000 0.623 394 A CB -1.296 17.688 19.000 -0.026 0.000 0.818 394 A HN 0.420 nan 8.150 nan 0.000 0.443 395 G N -0.862 107.857 108.800 -0.135 0.000 2.402 395 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 395 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 395 G C 1.741 176.531 174.900 -0.183 0.000 1.162 395 G CA 0.901 45.892 45.100 -0.181 0.000 0.777 395 G HN 0.510 nan 8.290 nan 0.000 0.539 396 R N 0.629 120.991 120.500 -0.230 0.000 2.080 396 R HA -0.098 4.242 4.340 -0.000 0.000 0.236 396 R C 2.496 178.758 176.300 -0.063 0.000 1.137 396 R CA 1.923 57.923 56.100 -0.166 0.000 0.943 396 R CB -0.357 29.881 30.300 -0.104 0.000 0.846 396 R HN 0.357 nan 8.270 nan 0.000 0.431 397 K N 0.497 120.879 120.400 -0.029 0.000 2.057 397 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 397 K C 2.237 178.833 176.600 -0.006 0.000 1.049 397 K CA 1.131 57.416 56.287 -0.003 0.000 0.931 397 K CB -0.155 32.352 32.500 0.012 0.000 0.714 397 K HN 0.221 nan 8.250 nan 0.000 0.440 398 L N 0.424 121.638 121.223 -0.016 0.000 2.017 398 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 398 L C 2.396 179.261 176.870 -0.008 0.000 1.073 398 L CA 1.704 56.541 54.840 -0.005 0.000 0.745 398 L CB -0.572 41.481 42.059 -0.010 0.000 0.894 398 L HN 0.349 nan 8.230 nan 0.000 0.432 399 A N -0.374 122.428 122.820 -0.031 0.000 1.873 399 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 399 A C 2.436 180.012 177.584 -0.014 0.000 1.186 399 A CA 1.627 53.646 52.037 -0.029 0.000 0.616 399 A CB -0.775 18.189 19.000 -0.061 0.000 0.823 399 A HN 0.516 nan 8.150 nan 0.000 0.442 400 A N -0.111 122.702 122.820 -0.012 0.000 1.940 400 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 400 A C 1.925 179.514 177.584 0.007 0.000 1.176 400 A CA 2.188 54.225 52.037 0.000 0.000 0.631 400 A CB -0.522 18.481 19.000 0.005 0.000 0.814 400 A HN 0.618 nan 8.150 nan 0.000 0.446 401 E N 0.698 120.904 120.200 0.010 0.000 2.160 401 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 401 E C 1.529 178.139 176.600 0.018 0.000 0.991 401 E CA 1.699 58.109 56.400 0.016 0.000 0.810 401 E CB -0.506 29.206 29.700 0.021 0.000 0.742 401 E HN 0.806 nan 8.360 nan 0.000 0.466 402 I N -2.482 118.098 120.570 0.016 0.000 3.883 402 I HA 0.251 4.420 4.170 -0.000 0.000 0.326 402 I C 0.908 177.035 176.117 0.017 0.000 1.283 402 I CA -0.442 60.870 61.300 0.019 0.000 1.161 402 I CB 0.149 38.163 38.000 0.023 0.000 1.012 402 I HN -0.175 nan 8.210 nan 0.000 0.421 403 R N 0.000 120.508 120.500 0.013 0.000 2.786 403 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 403 R CA 0.000 56.107 56.100 0.012 0.000 0.921 403 R CB 0.000 30.305 30.300 0.009 0.000 0.687 403 R HN 0.000 nan 8.270 nan 0.000 0.535