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 3inj_1_H DATA FIRST_RESID 6 DATA SEQUENCE QAVPAPNQQP EVFCNQIFIN NEWHDAVSRK TFPTVNPSTG EVICQVAEGD DATA SEQUENCE KEDVDKAVKA ARAAFQLGSP WRRMDASHRG RLLNRLADLI ERDRTYLAAL DATA SEQUENCE ETLDNGKPYV ISYLVDLDMV LKCLRYYAGW ADKYHGKTIP IDGDFFSYTR DATA SEQUENCE HEPVGVCGQI IPWNFPLLMQ AWKLGPALAT GNVVVMKVAE QTPLTALYVA DATA SEQUENCE NLIKEAGFPP GVVNIVPGFG PTAGAAIASH EDVDKVAFTG STEIGRVIQV DATA SEQUENCE AAGSSNLKRV TLELGGKSPN IIMSDADMDW AVEQAHFALF FNQGQCCCAG DATA SEQUENCE SRTFVQEDIY DEFVERSVAR AKSRVVGNPF DSKTEQGPQV DETQFKKILG DATA SEQUENCE YINTGKQEGA KLLCGGGIAA DRGYFIQPTV FGDVQDGMTI AKEEIFGPVM DATA SEQUENCE QILKFKTIEE VVGRANNSTY GLAAAVFTKD LDKANYLSQA LQAGTVWVNC DATA SEQUENCE YDVFGAQSPF GGYKMSGSGR ELGEYGLQAY TEVKTVTVKV PQKNS 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 6 Q HA 0.000 nan 4.340 nan 0.000 0.214 6 Q C 0.000 176.045 176.000 0.074 0.000 1.003 6 Q CA 0.000 55.849 55.803 0.076 0.000 1.022 6 Q CB 0.000 28.768 28.738 0.051 0.000 1.108 7 A N 1.529 124.390 122.820 0.069 0.000 2.301 7 A HA 0.591 4.912 4.320 0.001 0.000 0.298 7 A C -0.011 177.553 177.584 -0.032 0.000 1.185 7 A CA -0.210 51.844 52.037 0.028 0.000 0.830 7 A CB 0.733 19.748 19.000 0.026 0.000 1.112 7 A HN 0.030 nan 8.150 nan 0.000 0.508 8 V N 5.571 125.423 119.914 -0.103 0.000 2.364 8 V HA 0.269 4.390 4.120 0.001 0.000 0.272 8 V C -1.897 174.075 176.094 -0.204 0.000 1.036 8 V CA -1.109 61.000 62.300 -0.319 0.000 0.880 8 V CB 0.725 32.416 31.823 -0.221 0.000 0.991 8 V HN 0.865 nan 8.190 nan 0.000 0.460 9 P HA 0.264 nan 4.420 nan 0.000 0.269 9 P C -0.141 177.179 177.300 0.034 0.000 1.215 9 P CA -0.190 62.866 63.100 -0.074 0.000 0.780 9 P CB 0.487 32.160 31.700 -0.045 0.000 0.898 10 A N 3.687 126.512 122.820 0.008 0.000 2.540 10 A HA 0.324 4.645 4.320 0.001 0.000 0.239 10 A C -1.842 175.675 177.584 -0.112 0.000 1.061 10 A CA -0.575 51.442 52.037 -0.033 0.000 0.758 10 A CB -1.139 17.836 19.000 -0.042 0.000 0.991 10 A HN 0.421 nan 8.150 nan 0.000 0.502 11 P HA 0.176 nan 4.420 nan 0.000 0.286 11 P C -0.808 176.282 177.300 -0.351 0.000 1.261 11 P CA -0.841 61.943 63.100 -0.527 0.000 0.821 11 P CB 0.806 31.828 31.700 -1.130 0.000 1.013 12 N N 2.043 120.595 118.700 -0.247 0.000 2.405 12 N HA 0.004 4.745 4.740 0.001 0.000 0.260 12 N C 0.713 175.930 175.510 -0.488 0.000 1.152 12 N CA 0.288 53.188 53.050 -0.248 0.000 0.948 12 N CB 0.326 38.764 38.487 -0.082 0.000 1.111 12 N HN 0.282 nan 8.380 nan 0.000 0.485 13 Q N 2.053 121.435 119.800 -0.696 0.000 2.482 13 Q HA 0.000 4.341 4.340 0.001 0.000 0.209 13 Q C -0.248 175.362 176.000 -0.650 0.000 0.961 13 Q CA 0.680 55.734 55.803 -1.248 0.000 0.945 13 Q CB 0.292 28.431 28.738 -0.998 0.000 1.012 13 Q HN 0.611 nan 8.270 nan 0.000 0.515 14 Q N 0.923 120.513 119.800 -0.350 0.000 3.180 14 Q HA 0.205 4.546 4.340 0.001 0.000 0.317 14 Q C -2.482 173.457 176.000 -0.102 0.000 0.824 14 Q CA -1.308 54.387 55.803 -0.179 0.000 0.926 14 Q CB 1.362 30.011 28.738 -0.148 0.000 1.487 14 Q HN 0.102 nan 8.270 nan 0.000 0.389 15 P HA -0.053 nan 4.420 nan 0.000 0.271 15 P C -0.372 176.944 177.300 0.027 0.000 1.218 15 P CA -0.008 63.119 63.100 0.045 0.000 0.780 15 P CB 1.042 32.750 31.700 0.014 0.000 0.901 16 E N 1.301 121.526 120.200 0.042 0.000 2.354 16 E HA 0.207 4.558 4.350 0.001 0.000 0.269 16 E C -0.728 175.693 176.600 -0.298 0.000 1.036 16 E CA -0.633 55.624 56.400 -0.238 0.000 0.876 16 E CB 0.707 30.110 29.700 -0.496 0.000 1.009 16 E HN 0.142 nan 8.360 nan 0.000 0.416 17 V N 5.996 125.698 119.914 -0.352 0.000 2.407 17 V HA 0.120 4.240 4.120 0.001 0.000 0.278 17 V C 0.032 175.891 176.094 -0.391 0.000 1.037 17 V CA 0.034 62.203 62.300 -0.217 0.000 0.900 17 V CB 0.817 32.564 31.823 -0.127 0.000 0.983 17 V HN 0.717 nan 8.190 nan 0.000 0.459 18 F N 1.568 121.551 119.950 0.055 0.000 2.712 18 F HA 0.282 4.811 4.527 0.003 0.000 0.297 18 F C 0.902 176.600 175.800 -0.170 0.000 1.114 18 F CA -0.063 57.927 58.000 -0.016 0.000 1.305 18 F CB 0.439 39.480 39.000 0.069 0.000 1.086 18 F HN 0.370 nan 8.300 nan 0.000 0.599 19 C N 1.289 120.581 119.300 -0.013 0.000 2.346 19 C HA 0.366 4.826 4.460 0.001 0.000 0.326 19 C C 0.396 175.216 174.990 -0.282 0.000 1.224 19 C CA -0.884 57.889 59.018 -0.408 0.000 1.408 19 C CB -0.317 27.184 27.740 -0.398 0.000 2.089 19 C HN 0.670 nan 8.230 nan 0.000 0.456 20 N N 1.225 119.726 118.700 -0.331 0.000 2.381 20 N HA 0.144 4.885 4.740 0.001 0.000 0.257 20 N C -0.462 175.024 175.510 -0.039 0.000 1.409 20 N CA -0.447 52.518 53.050 -0.142 0.000 0.836 20 N CB 0.455 38.858 38.487 -0.139 0.000 1.384 20 N HN 0.718 nan 8.380 nan 0.000 0.490 21 Q N 0.292 120.123 119.800 0.053 0.000 2.814 21 Q HA 0.539 4.880 4.340 0.001 0.000 0.283 21 Q C -0.756 175.606 176.000 0.605 0.000 1.071 21 Q CA -1.007 54.990 55.803 0.323 0.000 0.849 21 Q CB 2.122 31.084 28.738 0.374 0.000 1.437 21 Q HN 0.172 nan 8.270 nan 0.000 0.492 22 I N 1.210 122.090 120.570 0.517 0.000 2.395 22 I HA 0.164 4.335 4.170 0.001 0.000 0.289 22 I C -0.818 175.529 176.117 0.383 0.000 1.023 22 I CA -0.108 61.433 61.300 0.401 0.000 1.350 22 I CB 0.486 38.631 38.000 0.243 0.000 1.409 22 I HN 0.372 nan 8.210 nan 0.000 0.507 23 F N 8.272 128.210 119.950 -0.020 0.000 2.361 23 F HA 0.628 5.156 4.527 0.000 0.000 0.364 23 F C -0.582 175.077 175.800 -0.235 0.000 1.117 23 F CA -0.445 57.322 58.000 -0.388 0.000 1.071 23 F CB 0.386 38.979 39.000 -0.678 0.000 1.188 23 F HN 0.161 nan 8.300 nan 0.000 0.464 24 I N 5.277 125.499 120.570 -0.579 0.000 2.619 24 I HA 0.209 4.379 4.170 0.001 0.000 0.292 24 I C -0.343 175.482 176.117 -0.486 0.000 1.100 24 I CA -1.169 59.838 61.300 -0.489 0.000 1.043 24 I CB 1.922 39.628 38.000 -0.490 0.000 1.239 24 I HN 0.453 nan 8.210 nan 0.000 0.420 25 N N 4.432 122.884 118.700 -0.414 0.000 2.716 25 N HA -0.250 4.491 4.740 0.001 0.000 0.250 25 N C 0.069 175.334 175.510 -0.409 0.000 1.033 25 N CA 1.328 54.194 53.050 -0.306 0.000 0.727 25 N CB -1.056 37.342 38.487 -0.148 0.000 0.950 25 N HN 0.925 nan 8.380 nan 0.000 0.541 26 N N -1.808 116.421 118.700 -0.785 0.000 2.708 26 N HA -0.250 4.491 4.740 0.001 0.000 0.251 26 N C -0.832 174.318 175.510 -0.600 0.000 1.123 26 N CA 1.214 53.840 53.050 -0.706 0.000 0.739 26 N CB -0.413 37.972 38.487 -0.170 0.000 1.113 26 N HN 0.622 nan 8.380 nan 0.000 0.561 27 E N -0.906 118.855 120.200 -0.731 0.000 2.299 27 E HA 0.433 4.784 4.350 0.001 0.000 0.265 27 E C -1.008 175.331 176.600 -0.435 0.000 0.911 27 E CA -0.677 55.474 56.400 -0.414 0.000 0.789 27 E CB 1.150 30.700 29.700 -0.251 0.000 1.246 27 E HN 0.139 nan 8.360 nan 0.000 0.427 28 W N 1.827 123.091 121.300 -0.060 0.000 2.391 28 W HA 0.324 4.985 4.660 0.002 0.000 0.311 28 W C 0.095 176.555 176.519 -0.100 0.000 1.087 28 W CA -0.362 57.026 57.345 0.072 0.000 1.209 28 W CB 0.906 30.431 29.460 0.109 0.000 1.273 28 W HN 0.305 nan 8.180 nan 0.000 0.482 29 H N 1.879 121.114 119.070 0.275 0.000 2.690 29 H HA 0.228 4.785 4.556 0.001 0.000 0.368 29 H C -0.542 174.894 175.328 0.180 0.000 1.150 29 H CA -1.075 55.073 56.048 0.166 0.000 1.174 29 H CB 1.956 31.770 29.762 0.086 0.000 1.684 29 H HN 0.240 nan 8.280 nan 0.000 0.538 30 D N 0.755 121.301 120.400 0.244 0.000 2.358 30 D HA 0.238 4.879 4.640 0.001 0.000 0.244 30 D C 0.430 176.841 176.300 0.185 0.000 1.163 30 D CA -0.347 53.764 54.000 0.185 0.000 0.945 30 D CB 1.049 41.925 40.800 0.127 0.000 1.152 30 D HN 0.600 nan 8.370 nan 0.000 0.451 31 A N 0.615 123.530 122.820 0.159 0.000 2.466 31 A HA 0.097 4.417 4.320 0.001 0.000 0.238 31 A C 1.560 179.211 177.584 0.111 0.000 1.074 31 A CA -0.462 51.657 52.037 0.137 0.000 0.774 31 A CB 0.273 19.359 19.000 0.143 0.000 1.015 31 A HN 0.409 nan 8.150 nan 0.000 0.498 32 V N 2.178 122.147 119.914 0.091 0.000 2.453 32 V HA -0.256 3.865 4.120 0.001 0.000 0.252 32 V C 2.656 178.792 176.094 0.069 0.000 1.068 32 V CA 2.736 65.081 62.300 0.075 0.000 1.070 32 V CB -0.939 30.919 31.823 0.058 0.000 0.664 32 V HN 1.121 nan 8.190 nan 0.000 0.461 33 S N -1.065 114.679 115.700 0.072 0.000 2.527 33 S HA -0.077 4.393 4.470 0.001 0.000 0.222 33 S C 1.260 175.901 174.600 0.068 0.000 0.985 33 S CA 0.155 58.394 58.200 0.065 0.000 0.921 33 S CB -0.096 63.143 63.200 0.065 0.000 0.772 33 S HN 0.529 nan 8.310 nan 0.000 0.529 34 R N -0.037 120.511 120.500 0.081 0.000 3.994 34 R HA -0.112 4.228 4.340 0.001 0.000 0.403 34 R C -0.660 175.690 176.300 0.084 0.000 1.126 34 R CA 1.158 57.306 56.100 0.078 0.000 1.143 34 R CB -2.413 27.924 30.300 0.060 0.000 1.695 34 R HN 0.597 nan 8.270 nan 0.000 0.555 35 K N 1.385 121.845 120.400 0.101 0.000 2.258 35 K HA 0.254 4.575 4.320 0.001 0.000 0.264 35 K C 0.894 177.585 176.600 0.152 0.000 1.007 35 K CA 0.703 57.061 56.287 0.118 0.000 0.941 35 K CB 0.687 33.263 32.500 0.126 0.000 0.966 35 K HN 0.273 nan 8.250 nan 0.000 0.480 36 T N -1.024 113.620 114.554 0.150 0.000 2.896 36 T HA 0.663 5.013 4.350 0.001 0.000 0.297 36 T C -0.768 174.069 174.700 0.228 0.000 1.108 36 T CA -1.052 61.130 62.100 0.136 0.000 1.004 36 T CB 0.717 69.593 68.868 0.014 0.000 1.159 36 T HN 0.464 nan 8.240 nan 0.000 0.499 37 F N -0.869 119.162 119.950 0.135 0.000 2.561 37 F HA 0.875 5.402 4.527 -0.000 0.000 0.321 37 F C -3.223 172.636 175.800 0.098 0.000 1.065 37 F CA -3.269 54.830 58.000 0.166 0.000 0.934 37 F CB 1.036 40.236 39.000 0.333 0.000 1.215 37 F HN 0.318 nan 8.300 nan 0.000 0.471 38 P HA 0.201 nan 4.420 nan 0.000 0.281 38 P C -0.674 176.689 177.300 0.105 0.000 1.252 38 P CA -0.206 62.929 63.100 0.058 0.000 0.778 38 P CB 1.569 33.325 31.700 0.094 0.000 0.895 39 T N 2.564 117.114 114.554 -0.006 0.000 2.824 39 T HA 0.441 4.791 4.350 0.001 0.000 0.280 39 T C -0.513 174.200 174.700 0.023 0.000 0.995 39 T CA -0.522 61.601 62.100 0.039 0.000 1.009 39 T CB 0.288 69.159 68.868 0.006 0.000 0.955 39 T HN -0.002 nan 8.240 nan 0.000 0.452 40 V N 5.578 125.513 119.914 0.035 0.000 2.612 40 V HA 0.419 4.540 4.120 0.001 0.000 0.301 40 V C 0.516 176.628 176.094 0.029 0.000 1.046 40 V CA -1.096 61.227 62.300 0.039 0.000 0.946 40 V CB 1.624 33.492 31.823 0.075 0.000 1.003 40 V HN 0.947 nan 8.190 nan 0.000 0.459 41 N N 5.170 123.885 118.700 0.025 0.000 2.406 41 N HA 0.236 4.976 4.740 0.001 0.000 0.251 41 N C -1.605 173.919 175.510 0.023 0.000 1.069 41 N CA -1.473 51.588 53.050 0.019 0.000 0.947 41 N CB 1.451 39.949 38.487 0.019 0.000 1.111 41 N HN 0.411 nan 8.380 nan 0.000 0.497 42 P HA -0.044 nan 4.420 nan 0.000 0.230 42 P C 0.442 177.660 177.300 -0.136 0.000 1.158 42 P CA 0.800 63.952 63.100 0.086 0.000 0.769 42 P CB 0.382 32.100 31.700 0.030 0.000 0.807 43 S N -0.409 115.244 115.700 -0.077 0.000 2.425 43 S HA -0.043 4.428 4.470 0.001 0.000 0.225 43 S C 1.875 176.517 174.600 0.070 0.000 1.024 43 S CA 1.774 60.002 58.200 0.047 0.000 0.951 43 S CB -0.692 62.608 63.200 0.167 0.000 0.796 43 S HN 0.416 nan 8.310 nan 0.000 0.498 44 T N -2.731 111.804 114.554 -0.033 0.000 2.971 44 T HA 0.453 4.804 4.350 0.001 0.000 0.252 44 T C 1.499 176.114 174.700 -0.141 0.000 1.022 44 T CA 0.829 62.896 62.100 -0.055 0.000 0.980 44 T CB 0.357 69.213 68.868 -0.019 0.000 1.044 44 T HN 0.515 nan 8.240 nan 0.000 0.501 45 G N 1.280 109.960 108.800 -0.201 0.000 2.162 45 G HA2 -0.200 3.761 3.960 0.001 0.000 0.260 45 G HA3 -0.200 3.761 3.960 0.001 0.000 0.260 45 G C -0.167 174.696 174.900 -0.062 0.000 0.976 45 G CA 0.191 45.162 45.100 -0.216 0.000 0.655 45 G HN 0.608 nan 8.290 nan 0.000 0.533 46 E N -0.324 119.852 120.200 -0.040 0.000 2.227 46 E HA 0.523 4.874 4.350 0.001 0.000 0.268 46 E C 0.450 177.048 176.600 -0.003 0.000 0.990 46 E CA -0.754 55.635 56.400 -0.019 0.000 0.856 46 E CB 2.059 31.744 29.700 -0.026 0.000 1.159 46 E HN 0.100 nan 8.360 nan 0.000 0.401 47 V N 3.636 123.549 119.914 -0.002 0.000 2.521 47 V HA 0.014 4.135 4.120 0.001 0.000 0.286 47 V C 1.636 177.720 176.094 -0.017 0.000 1.034 47 V CA 0.359 62.658 62.300 -0.002 0.000 1.045 47 V CB 0.307 32.129 31.823 -0.001 0.000 0.974 47 V HN 0.617 nan 8.190 nan 0.000 0.480 48 I N 3.930 124.487 120.570 -0.021 0.000 2.206 48 I HA 0.018 4.188 4.170 0.001 0.000 0.239 48 I C 1.036 177.120 176.117 -0.055 0.000 1.078 48 I CA 1.343 62.622 61.300 -0.035 0.000 1.367 48 I CB 0.097 38.079 38.000 -0.030 0.000 1.078 48 I HN 0.869 nan 8.210 nan 0.000 0.413 49 C N -2.201 117.058 119.300 -0.068 0.000 3.253 49 C HA 0.452 4.912 4.460 0.001 0.000 0.362 49 C C -1.390 173.530 174.990 -0.118 0.000 1.487 49 C CA -1.127 57.838 59.018 -0.088 0.000 1.179 49 C CB 1.341 29.020 27.740 -0.102 0.000 1.660 49 C HN 0.194 nan 8.230 nan 0.000 0.438 50 Q N 0.626 120.346 119.800 -0.133 0.000 2.245 50 Q HA 0.733 5.074 4.340 0.001 0.000 0.256 50 Q C -0.871 174.961 176.000 -0.280 0.000 0.942 50 Q CA -0.332 55.357 55.803 -0.189 0.000 0.896 50 Q CB 2.187 30.862 28.738 -0.105 0.000 1.272 50 Q HN 0.681 nan 8.270 nan 0.000 0.442 51 V N 0.792 120.384 119.914 -0.537 0.000 2.680 51 V HA 0.491 4.612 4.120 0.001 0.000 0.309 51 V C -0.198 175.674 176.094 -0.370 0.000 1.052 51 V CA -1.143 60.829 62.300 -0.547 0.000 0.908 51 V CB 1.830 33.159 31.823 -0.824 0.000 1.001 51 V HN 0.917 nan 8.190 nan 0.000 0.431 52 A N 2.569 125.359 122.820 -0.051 0.000 2.567 52 A HA 0.147 4.468 4.320 0.001 0.000 0.240 52 A C 0.408 178.189 177.584 0.329 0.000 1.053 52 A CA 0.303 52.421 52.037 0.135 0.000 0.755 52 A CB -0.206 18.904 19.000 0.183 0.000 0.978 52 A HN 0.932 nan 8.150 nan 0.000 0.507 53 E N 2.980 123.411 120.200 0.386 0.000 1.998 53 E HA 0.392 4.743 4.350 0.001 0.000 0.257 53 E C 0.679 177.458 176.600 0.299 0.000 1.038 53 E CA -0.225 56.476 56.400 0.502 0.000 0.869 53 E CB 0.064 30.063 29.700 0.499 0.000 1.135 53 E HN 0.814 nan 8.360 nan 0.000 0.430 54 G N 3.097 112.057 108.800 0.267 0.000 2.491 54 G HA2 0.074 4.035 3.960 0.001 0.000 0.242 54 G HA3 0.074 4.035 3.960 0.001 0.000 0.242 54 G C -0.365 174.624 174.900 0.148 0.000 1.266 54 G CA -0.214 44.994 45.100 0.180 0.000 0.844 54 G HN 0.567 nan 8.290 nan 0.000 0.571 55 D N -0.455 120.012 120.400 0.112 0.000 2.867 55 D HA 0.190 4.830 4.640 0.001 0.000 0.308 55 D C 1.301 177.645 176.300 0.073 0.000 1.202 55 D CA -0.788 53.266 54.000 0.090 0.000 1.035 55 D CB 1.495 42.342 40.800 0.078 0.000 1.427 55 D HN 0.278 nan 8.370 nan 0.000 0.570 56 K N 0.294 120.731 120.400 0.061 0.000 2.074 56 K HA -0.164 4.157 4.320 0.001 0.000 0.209 56 K C 1.454 178.090 176.600 0.061 0.000 1.048 56 K CA 1.690 58.013 56.287 0.059 0.000 0.926 56 K CB 0.068 32.592 32.500 0.039 0.000 0.713 56 K HN 0.320 nan 8.250 nan 0.000 0.444 57 E N 0.253 120.483 120.200 0.050 0.000 2.150 57 E HA -0.162 4.188 4.350 0.001 0.000 0.193 57 E C 1.598 178.221 176.600 0.039 0.000 0.985 57 E CA 1.072 57.498 56.400 0.044 0.000 0.814 57 E CB 0.013 29.736 29.700 0.038 0.000 0.752 57 E HN 0.458 nan 8.360 nan 0.000 0.466 58 D N 0.674 121.100 120.400 0.043 0.000 2.123 58 D HA -0.095 4.546 4.640 0.001 0.000 0.200 58 D C 2.211 178.518 176.300 0.013 0.000 0.976 58 D CA 0.742 54.757 54.000 0.025 0.000 0.831 58 D CB -0.011 40.821 40.800 0.054 0.000 0.974 58 D HN 0.020 nan 8.370 nan 0.000 0.469 59 V N 2.191 122.130 119.914 0.041 0.000 2.287 59 V HA -0.248 3.873 4.120 0.001 0.000 0.248 59 V C 1.965 178.078 176.094 0.031 0.000 1.053 59 V CA 1.861 64.184 62.300 0.037 0.000 1.027 59 V CB -0.484 31.385 31.823 0.077 0.000 0.646 59 V HN 0.036 nan 8.190 nan 0.000 0.447 60 D N -0.162 120.294 120.400 0.092 0.000 2.149 60 D HA -0.169 4.472 4.640 0.001 0.000 0.198 60 D C 2.250 178.578 176.300 0.047 0.000 0.990 60 D CA 1.298 55.384 54.000 0.143 0.000 0.839 60 D CB -0.223 40.656 40.800 0.132 0.000 0.948 60 D HN 0.451 nan 8.370 nan 0.000 0.460 61 K N 0.461 120.861 120.400 -0.001 0.000 2.026 61 K HA -0.032 4.289 4.320 0.001 0.000 0.208 61 K C 2.173 178.722 176.600 -0.086 0.000 1.048 61 K CA 1.177 57.434 56.287 -0.050 0.000 0.929 61 K CB -0.131 32.314 32.500 -0.092 0.000 0.713 61 K HN 0.031 nan 8.250 nan 0.000 0.439 62 A N 0.992 123.754 122.820 -0.097 0.000 1.908 62 A HA -0.147 4.174 4.320 0.001 0.000 0.218 62 A C 2.374 179.889 177.584 -0.115 0.000 1.181 62 A CA 1.563 53.531 52.037 -0.115 0.000 0.627 62 A CB -0.757 18.189 19.000 -0.091 0.000 0.818 62 A HN 0.088 nan 8.150 nan 0.000 0.445 63 V N 0.165 119.995 119.914 -0.141 0.000 2.343 63 V HA -0.278 3.842 4.120 0.001 0.000 0.247 63 V C 2.472 178.500 176.094 -0.111 0.000 1.051 63 V CA 2.365 64.540 62.300 -0.209 0.000 1.036 63 V CB -0.634 30.877 31.823 -0.520 0.000 0.654 63 V HN 0.556 nan 8.190 nan 0.000 0.451 64 K N 0.142 120.507 120.400 -0.057 0.000 2.057 64 K HA -0.129 4.191 4.320 0.001 0.000 0.207 64 K C 2.324 178.913 176.600 -0.019 0.000 1.049 64 K CA 1.440 57.718 56.287 -0.014 0.000 0.931 64 K CB -0.425 32.078 32.500 0.005 0.000 0.714 64 K HN 0.474 nan 8.250 nan 0.000 0.440 65 A N 1.746 124.538 122.820 -0.048 0.000 1.883 65 A HA -0.165 4.155 4.320 0.001 0.000 0.217 65 A C 2.408 179.972 177.584 -0.034 0.000 1.186 65 A CA 1.998 54.003 52.037 -0.053 0.000 0.624 65 A CB -0.731 18.208 19.000 -0.102 0.000 0.822 65 A HN 0.345 nan 8.150 nan 0.000 0.444 66 A N -0.230 122.562 122.820 -0.046 0.000 1.858 66 A HA -0.160 4.160 4.320 0.001 0.000 0.216 66 A C 2.174 179.789 177.584 0.052 0.000 1.190 66 A CA 2.248 54.271 52.037 -0.024 0.000 0.617 66 A CB -0.529 18.431 19.000 -0.066 0.000 0.827 66 A HN 0.463 nan 8.150 nan 0.000 0.443 67 R N 0.331 120.856 120.500 0.040 0.000 2.103 67 R HA -0.145 4.196 4.340 0.001 0.000 0.242 67 R C 2.103 178.491 176.300 0.147 0.000 1.142 67 R CA 2.236 58.402 56.100 0.109 0.000 0.960 67 R CB -1.021 29.321 30.300 0.070 0.000 0.858 67 R HN 0.431 nan 8.270 nan 0.000 0.439 68 A N -0.007 122.866 122.820 0.089 0.000 1.902 68 A HA -0.026 4.295 4.320 0.001 0.000 0.217 68 A C 2.359 180.007 177.584 0.108 0.000 1.181 68 A CA 1.841 53.926 52.037 0.080 0.000 0.623 68 A CB -1.064 17.962 19.000 0.043 0.000 0.818 68 A HN 0.499 nan 8.150 nan 0.000 0.443 69 A N -2.115 120.777 122.820 0.120 0.000 2.067 69 A HA 0.048 4.369 4.320 0.001 0.000 0.219 69 A C 1.755 179.512 177.584 0.289 0.000 1.158 69 A CA 1.287 53.418 52.037 0.157 0.000 0.661 69 A CB -0.542 18.510 19.000 0.087 0.000 0.801 69 A HN 0.606 nan 8.150 nan 0.000 0.452 70 F N 0.430 120.459 119.950 0.133 0.000 2.765 70 F HA 0.190 4.717 4.527 0.001 0.000 0.302 70 F C 0.630 176.499 175.800 0.116 0.000 1.111 70 F CA -0.247 57.853 58.000 0.167 0.000 1.359 70 F CB 0.114 39.198 39.000 0.139 0.000 1.097 70 F HN 0.103 nan 8.300 nan 0.000 0.577 71 Q N 1.715 121.543 119.800 0.046 0.000 2.337 71 Q HA 0.041 4.381 4.340 0.001 0.000 0.270 71 Q C -0.166 175.768 176.000 -0.110 0.000 1.002 71 Q CA -0.238 55.546 55.803 -0.032 0.000 0.888 71 Q CB 0.824 29.577 28.738 0.025 0.000 1.222 71 Q HN 0.225 nan 8.270 nan 0.000 0.400 72 L N 1.892 123.032 121.223 -0.139 0.000 2.615 72 L HA 0.048 4.389 4.340 0.001 0.000 0.284 72 L C 1.293 178.124 176.870 -0.066 0.000 1.237 72 L CA 2.298 57.062 54.840 -0.125 0.000 0.905 72 L CB -0.032 41.972 42.059 -0.091 0.000 1.149 72 L HN 0.947 nan 8.230 nan 0.000 0.499 73 G N 1.902 110.666 108.800 -0.061 0.000 2.195 73 G HA2 -0.274 3.687 3.960 0.001 0.000 0.246 73 G HA3 -0.274 3.687 3.960 0.001 0.000 0.246 73 G C 0.358 175.252 174.900 -0.009 0.000 0.984 73 G CA 0.357 45.439 45.100 -0.030 0.000 0.633 73 G HN 1.124 nan 8.290 nan 0.000 0.525 74 S N 0.566 116.266 115.700 -0.001 0.000 2.600 74 S HA 0.558 5.029 4.470 0.001 0.000 0.265 74 S C -0.570 174.074 174.600 0.074 0.000 1.325 74 S CA -0.219 58.010 58.200 0.048 0.000 1.002 74 S CB 1.887 65.138 63.200 0.085 0.000 0.921 74 S HN 0.003 nan 8.310 nan 0.000 0.554 75 P HA -0.105 nan 4.420 nan 0.000 0.216 75 P C 1.251 178.674 177.300 0.205 0.000 1.153 75 P CA 1.223 64.397 63.100 0.122 0.000 0.858 75 P CB -0.117 31.662 31.700 0.131 0.000 0.789 76 W N 0.153 121.481 121.300 0.047 0.000 2.402 76 W HA -0.120 4.541 4.660 0.002 0.000 0.286 76 W C 1.620 178.177 176.519 0.064 0.000 1.221 76 W CA 0.609 58.006 57.345 0.086 0.000 1.257 76 W CB -0.017 29.524 29.460 0.136 0.000 1.120 76 W HN -0.139 nan 8.180 nan 0.000 0.551 77 R N 0.247 120.757 120.500 0.016 0.000 2.119 77 R HA -0.006 4.335 4.340 0.001 0.000 0.222 77 R C 2.039 178.257 176.300 -0.136 0.000 1.088 77 R CA 0.797 56.809 56.100 -0.145 0.000 0.984 77 R CB -0.584 29.615 30.300 -0.168 0.000 0.884 77 R HN 0.294 nan 8.270 nan 0.000 0.447 78 R N -0.075 120.379 120.500 -0.076 0.000 2.240 78 R HA 0.163 4.504 4.340 0.001 0.000 0.203 78 R C 1.134 177.383 176.300 -0.084 0.000 1.011 78 R CA -0.144 55.915 56.100 -0.069 0.000 1.007 78 R CB -0.006 30.270 30.300 -0.040 0.000 0.911 78 R HN 0.098 nan 8.270 nan 0.000 0.468 79 M N 2.328 121.868 119.600 -0.100 0.000 2.251 79 M HA -0.052 4.428 4.480 0.001 0.000 0.343 79 M C -0.751 175.483 176.300 -0.110 0.000 1.245 79 M CA 0.324 55.561 55.300 -0.106 0.000 1.061 79 M CB 0.515 33.066 32.600 -0.082 0.000 1.723 79 M HN -0.070 nan 8.290 nan 0.000 0.449 80 D N 4.111 124.473 120.400 -0.064 0.000 2.525 80 D HA 0.041 4.681 4.640 0.001 0.000 0.235 80 D C 0.866 177.155 176.300 -0.018 0.000 1.137 80 D CA 0.585 54.570 54.000 -0.025 0.000 0.868 80 D CB 0.967 41.775 40.800 0.012 0.000 1.180 80 D HN 0.754 nan 8.370 nan 0.000 0.465 81 A N 2.551 125.354 122.820 -0.029 0.000 1.940 81 A HA -0.224 4.097 4.320 0.001 0.000 0.219 81 A C 2.125 179.719 177.584 0.016 0.000 1.176 81 A CA 2.166 54.188 52.037 -0.025 0.000 0.631 81 A CB -0.612 18.389 19.000 0.001 0.000 0.814 81 A HN 0.602 nan 8.150 nan 0.000 0.446 82 S N -1.158 114.562 115.700 0.034 0.000 2.419 82 S HA -0.257 4.214 4.470 0.001 0.000 0.233 82 S C 1.800 176.428 174.600 0.048 0.000 1.016 82 S CA 1.627 59.850 58.200 0.038 0.000 0.974 82 S CB -0.712 62.511 63.200 0.038 0.000 0.786 82 S HN 0.771 nan 8.310 nan 0.000 0.492 83 H N 1.582 120.639 119.070 -0.022 0.000 2.436 83 H HA 0.221 4.778 4.556 0.001 0.000 0.294 83 H C 2.332 177.655 175.328 -0.008 0.000 1.048 83 H CA 1.194 57.230 56.048 -0.020 0.000 1.353 83 H CB 0.007 29.754 29.762 -0.026 0.000 1.414 83 H HN 0.324 nan 8.280 nan 0.000 0.536 84 R N -0.472 120.065 120.500 0.062 0.000 2.105 84 R HA -0.107 4.234 4.340 0.001 0.000 0.239 84 R C 2.512 178.866 176.300 0.089 0.000 1.135 84 R CA 1.053 57.209 56.100 0.094 0.000 0.967 84 R CB -0.598 29.708 30.300 0.010 0.000 0.861 84 R HN 0.421 nan 8.270 nan 0.000 0.442 85 G N 1.597 110.422 108.800 0.041 0.000 2.459 85 G HA2 -0.275 3.686 3.960 0.001 0.000 0.217 85 G HA3 -0.275 3.686 3.960 0.001 0.000 0.217 85 G C 1.414 176.300 174.900 -0.023 0.000 1.183 85 G CA 0.396 45.515 45.100 0.032 0.000 0.776 85 G HN 0.144 nan 8.290 nan 0.000 0.552 86 R N 0.253 120.678 120.500 -0.124 0.000 2.103 86 R HA 0.000 4.341 4.340 0.001 0.000 0.242 86 R C 2.660 178.841 176.300 -0.198 0.000 1.142 86 R CA 0.762 56.743 56.100 -0.199 0.000 0.960 86 R CB -1.172 28.898 30.300 -0.384 0.000 0.858 86 R HN 0.430 nan 8.270 nan 0.000 0.439 87 L N 0.215 121.283 121.223 -0.259 0.000 2.027 87 L HA -0.125 4.216 4.340 0.001 0.000 0.206 87 L C 2.501 179.369 176.870 -0.004 0.000 1.074 87 L CA 0.957 55.590 54.840 -0.344 0.000 0.745 87 L CB -0.454 41.131 42.059 -0.791 0.000 0.898 87 L HN 0.100 nan 8.230 nan 0.000 0.433 88 L N -0.252 121.088 121.223 0.196 0.000 2.083 88 L HA -0.219 4.122 4.340 0.001 0.000 0.209 88 L C 2.348 179.323 176.870 0.175 0.000 1.083 88 L CA 0.970 55.990 54.840 0.301 0.000 0.752 88 L CB -0.513 41.710 42.059 0.273 0.000 0.899 88 L HN 0.363 nan 8.230 nan 0.000 0.433 89 N N -0.272 118.483 118.700 0.092 0.000 2.216 89 N HA -0.172 4.569 4.740 0.001 0.000 0.183 89 N C 1.951 177.495 175.510 0.056 0.000 1.017 89 N CA 0.813 53.900 53.050 0.061 0.000 0.861 89 N CB -0.132 38.368 38.487 0.021 0.000 0.986 89 N HN 0.158 nan 8.380 nan 0.000 0.428 90 R N 1.439 121.960 120.500 0.036 0.000 2.075 90 R HA 0.001 4.341 4.340 0.001 0.000 0.232 90 R C 2.062 178.417 176.300 0.092 0.000 1.126 90 R CA 0.781 56.904 56.100 0.038 0.000 0.963 90 R CB -1.071 29.222 30.300 -0.011 0.000 0.858 90 R HN 0.166 nan 8.270 nan 0.000 0.435 91 L N 0.499 121.819 121.223 0.162 0.000 2.013 91 L HA -0.093 4.248 4.340 0.001 0.000 0.212 91 L C 2.129 179.077 176.870 0.130 0.000 1.073 91 L CA 2.435 57.387 54.840 0.187 0.000 0.753 91 L CB -1.165 41.057 42.059 0.271 0.000 0.890 91 L HN 0.278 nan 8.230 nan 0.000 0.432 92 A N -0.736 122.158 122.820 0.123 0.000 1.892 92 A HA -0.272 4.049 4.320 0.001 0.000 0.218 92 A C 2.015 179.649 177.584 0.083 0.000 1.188 92 A CA 2.087 54.184 52.037 0.100 0.000 0.631 92 A CB -1.033 18.024 19.000 0.095 0.000 0.822 92 A HN 0.573 nan 8.150 nan 0.000 0.447 93 D N 0.033 120.478 120.400 0.075 0.000 2.123 93 D HA -0.131 4.510 4.640 0.001 0.000 0.196 93 D C 1.933 178.277 176.300 0.073 0.000 0.992 93 D CA 1.167 55.205 54.000 0.064 0.000 0.833 93 D CB -0.380 40.451 40.800 0.051 0.000 0.954 93 D HN 0.485 nan 8.370 nan 0.000 0.455 94 L N 0.276 121.549 121.223 0.083 0.000 2.093 94 L HA -0.090 4.250 4.340 0.001 0.000 0.208 94 L C 2.490 179.434 176.870 0.124 0.000 1.085 94 L CA 0.644 55.541 54.840 0.094 0.000 0.755 94 L CB -0.305 41.806 42.059 0.088 0.000 0.904 94 L HN 0.032 nan 8.230 nan 0.000 0.435 95 I N -0.156 120.487 120.570 0.121 0.000 2.315 95 I HA -0.277 3.893 4.170 0.001 0.000 0.248 95 I C 2.601 178.782 176.117 0.106 0.000 1.117 95 I CA 1.312 62.692 61.300 0.134 0.000 1.404 95 I CB -0.220 37.846 38.000 0.110 0.000 1.071 95 I HN 0.341 nan 8.210 nan 0.000 0.419 96 E N 1.308 121.556 120.200 0.079 0.000 2.072 96 E HA -0.257 4.094 4.350 0.001 0.000 0.191 96 E C 2.391 179.041 176.600 0.083 0.000 0.985 96 E CA 0.812 57.246 56.400 0.058 0.000 0.801 96 E CB -0.009 29.718 29.700 0.045 0.000 0.750 96 E HN 0.247 nan 8.360 nan 0.000 0.452 97 R N 0.390 120.945 120.500 0.092 0.000 2.103 97 R HA -0.169 4.172 4.340 0.001 0.000 0.242 97 R C 0.411 176.786 176.300 0.124 0.000 1.142 97 R CA 1.982 58.140 56.100 0.097 0.000 0.960 97 R CB -0.052 30.300 30.300 0.087 0.000 0.858 97 R HN 0.146 nan 8.270 nan 0.000 0.439 98 D N -0.562 119.932 120.400 0.156 0.000 2.427 98 D HA 0.023 4.664 4.640 0.001 0.000 0.224 98 D C 1.104 177.530 176.300 0.209 0.000 1.157 98 D CA -0.038 54.081 54.000 0.199 0.000 0.828 98 D CB 0.206 41.173 40.800 0.279 0.000 0.974 98 D HN 0.263 nan 8.370 nan 0.000 0.498 99 R N 0.394 120.991 120.500 0.162 0.000 2.083 99 R HA -0.125 4.216 4.340 0.001 0.000 0.237 99 R C 1.423 177.867 176.300 0.239 0.000 1.137 99 R CA 1.528 57.695 56.100 0.112 0.000 0.951 99 R CB -0.038 30.256 30.300 -0.009 0.000 0.851 99 R HN -0.035 nan 8.270 nan 0.000 0.434 100 T N 0.148 114.921 114.554 0.366 0.000 2.746 100 T HA -0.191 4.160 4.350 0.001 0.000 0.267 100 T C 1.327 176.252 174.700 0.375 0.000 1.039 100 T CA 1.522 63.904 62.100 0.470 0.000 1.142 100 T CB -0.475 68.609 68.868 0.360 0.000 0.866 100 T HN 0.388 nan 8.240 nan 0.000 0.444 101 Y N 1.806 122.198 120.300 0.154 0.000 2.089 101 Y HA -0.079 4.472 4.550 0.001 0.000 0.282 101 Y C 2.044 177.978 175.900 0.057 0.000 1.139 101 Y CA 1.121 59.261 58.100 0.067 0.000 1.123 101 Y CB -0.691 37.741 38.460 -0.046 0.000 0.980 101 Y HN 0.098 nan 8.280 nan 0.000 0.493 102 L N -0.153 121.022 121.223 -0.080 0.000 2.079 102 L HA -0.254 4.087 4.340 0.001 0.000 0.210 102 L C 2.760 179.588 176.870 -0.071 0.000 1.081 102 L CA 1.260 55.998 54.840 -0.171 0.000 0.752 102 L CB -0.942 41.128 42.059 0.020 0.000 0.896 102 L HN 0.406 nan 8.230 nan 0.000 0.433 103 A N -0.257 122.613 122.820 0.082 0.000 1.933 103 A HA -0.160 4.161 4.320 0.001 0.000 0.218 103 A C 2.492 180.234 177.584 0.264 0.000 1.175 103 A CA 1.697 53.830 52.037 0.160 0.000 0.628 103 A CB -0.603 18.547 19.000 0.250 0.000 0.814 103 A HN 0.423 nan 8.150 nan 0.000 0.444 104 A N -0.654 122.352 122.820 0.310 0.000 1.873 104 A HA 0.038 4.359 4.320 0.001 0.000 0.215 104 A C 2.095 179.761 177.584 0.137 0.000 1.186 104 A CA 1.606 53.840 52.037 0.328 0.000 0.616 104 A CB -0.594 18.528 19.000 0.203 0.000 0.823 104 A HN 0.580 nan 8.150 nan 0.000 0.442 105 L N 0.017 121.161 121.223 -0.132 0.000 2.046 105 L HA -0.134 4.207 4.340 0.001 0.000 0.208 105 L C 2.240 179.066 176.870 -0.073 0.000 1.077 105 L CA 2.656 57.384 54.840 -0.186 0.000 0.747 105 L CB -0.716 41.071 42.059 -0.453 0.000 0.896 105 L HN 0.520 nan 8.230 nan 0.000 0.432 106 E N -1.070 119.095 120.200 -0.059 0.000 2.058 106 E HA -0.210 4.141 4.350 0.001 0.000 0.194 106 E C 2.046 178.616 176.600 -0.050 0.000 0.997 106 E CA 2.142 58.521 56.400 -0.036 0.000 0.801 106 E CB -0.359 29.328 29.700 -0.023 0.000 0.746 106 E HN 0.491 nan 8.360 nan 0.000 0.450 107 T N 0.683 115.200 114.554 -0.063 0.000 2.746 107 T HA -0.153 4.198 4.350 0.001 0.000 0.267 107 T C 1.723 176.339 174.700 -0.139 0.000 1.039 107 T CA 1.192 63.181 62.100 -0.184 0.000 1.142 107 T CB -0.376 68.226 68.868 -0.443 0.000 0.866 107 T HN 0.114 nan 8.240 nan 0.000 0.444 108 L N 1.318 122.544 121.223 0.004 0.000 2.012 108 L HA -0.102 4.239 4.340 0.001 0.000 0.210 108 L C 2.072 178.953 176.870 0.018 0.000 1.073 108 L CA 1.917 56.813 54.840 0.094 0.000 0.748 108 L CB -0.469 41.673 42.059 0.139 0.000 0.891 108 L HN 0.092 nan 8.230 nan 0.000 0.431 109 D N -1.651 118.745 120.400 -0.006 0.000 2.213 109 D HA -0.142 4.499 4.640 0.001 0.000 0.205 109 D C 1.884 178.165 176.300 -0.032 0.000 0.961 109 D CA 0.773 54.765 54.000 -0.013 0.000 0.853 109 D CB 0.040 40.837 40.800 -0.005 0.000 0.967 109 D HN 0.441 nan 8.370 nan 0.000 0.496 110 N N -0.752 117.919 118.700 -0.049 0.000 2.482 110 N HA -0.004 4.737 4.740 0.001 0.000 0.179 110 N C 1.350 176.796 175.510 -0.108 0.000 1.039 110 N CA 1.602 54.613 53.050 -0.065 0.000 0.884 110 N CB 0.931 39.385 38.487 -0.055 0.000 1.113 110 N HN 0.223 nan 8.380 nan 0.000 0.440 111 G N 1.412 110.138 108.800 -0.125 0.000 2.201 111 G HA2 -0.245 3.715 3.960 0.001 0.000 0.212 111 G HA3 -0.245 3.715 3.960 0.001 0.000 0.212 111 G C -0.108 174.692 174.900 -0.168 0.000 0.994 111 G CA 0.380 45.389 45.100 -0.152 0.000 0.644 111 G HN 0.694 nan 8.290 nan 0.000 0.508 112 K N 0.853 121.145 120.400 -0.179 0.000 2.258 112 K HA 0.543 4.863 4.320 0.001 0.000 0.264 112 K C -2.716 173.784 176.600 -0.166 0.000 1.007 112 K CA -1.518 54.655 56.287 -0.191 0.000 0.941 112 K CB 0.808 33.168 32.500 -0.234 0.000 0.966 112 K HN 0.044 nan 8.250 nan 0.000 0.480 113 P HA -0.107 nan 4.420 nan 0.000 0.265 113 P C -0.327 176.937 177.300 -0.061 0.000 1.193 113 P CA -0.072 62.982 63.100 -0.077 0.000 0.765 113 P CB 0.149 31.840 31.700 -0.016 0.000 0.823 114 Y N 4.534 124.712 120.300 -0.202 0.000 2.165 114 Y HA -0.254 4.296 4.550 0.001 0.000 0.286 114 Y C 1.800 177.721 175.900 0.036 0.000 1.155 114 Y CA 1.793 59.818 58.100 -0.125 0.000 1.164 114 Y CB -0.920 37.480 38.460 -0.100 0.000 0.978 114 Y HN 0.077 nan 8.280 nan 0.000 0.513 115 V N 0.504 120.352 119.914 -0.110 0.000 2.332 115 V HA -0.330 3.791 4.120 0.001 0.000 0.248 115 V C 2.401 178.462 176.094 -0.055 0.000 1.055 115 V CA 1.843 64.062 62.300 -0.134 0.000 1.038 115 V CB -0.655 31.180 31.823 0.020 0.000 0.651 115 V HN 0.444 nan 8.190 nan 0.000 0.450 116 I N -0.119 120.453 120.570 0.004 0.000 2.252 116 I HA -0.145 4.026 4.170 0.001 0.000 0.245 116 I C 2.589 178.735 176.117 0.048 0.000 1.102 116 I CA 1.460 62.809 61.300 0.082 0.000 1.385 116 I CB -1.418 36.646 38.000 0.107 0.000 1.064 116 I HN 0.278 nan 8.210 nan 0.000 0.414 117 S N 0.146 115.830 115.700 -0.027 0.000 2.370 117 S HA -0.242 4.229 4.470 0.001 0.000 0.226 117 S C 2.017 176.594 174.600 -0.039 0.000 1.033 117 S CA 1.474 59.658 58.200 -0.027 0.000 1.011 117 S CB -0.491 62.689 63.200 -0.034 0.000 0.852 117 S HN 0.476 nan 8.310 nan 0.000 0.457 118 Y N 1.389 121.536 120.300 -0.256 0.000 2.176 118 Y HA 0.104 4.655 4.550 0.001 0.000 0.291 118 Y C 1.907 177.746 175.900 -0.102 0.000 1.122 118 Y CA 1.215 59.174 58.100 -0.235 0.000 1.128 118 Y CB -0.157 38.020 38.460 -0.473 0.000 1.005 118 Y HN 0.108 nan 8.280 nan 0.000 0.509 119 L N -1.383 119.899 121.223 0.098 0.000 2.162 119 L HA -0.087 4.254 4.340 0.001 0.000 0.205 119 L C 1.830 178.722 176.870 0.036 0.000 1.086 119 L CA 0.546 55.438 54.840 0.087 0.000 0.778 119 L CB -0.285 41.852 42.059 0.131 0.000 0.928 119 L HN 0.144 nan 8.230 nan 0.000 0.446 120 V N -0.696 119.259 119.914 0.068 0.000 2.543 120 V HA -0.092 4.029 4.120 0.001 0.000 0.232 120 V C 1.794 177.923 176.094 0.058 0.000 1.087 120 V CA 1.144 63.502 62.300 0.098 0.000 1.113 120 V CB -0.412 31.549 31.823 0.230 0.000 0.779 120 V HN 0.220 nan 8.190 nan 0.000 0.495 121 D N 0.832 121.279 120.400 0.078 0.000 2.127 121 D HA -0.190 4.450 4.640 0.001 0.000 0.190 121 D C 2.129 178.424 176.300 -0.009 0.000 1.000 121 D CA 1.430 55.456 54.000 0.044 0.000 0.839 121 D CB -0.373 40.469 40.800 0.070 0.000 0.955 121 D HN 0.101 nan 8.370 nan 0.000 0.446 122 L N 0.571 121.764 121.223 -0.049 0.000 2.046 122 L HA -0.180 4.160 4.340 0.001 0.000 0.208 122 L C 2.089 178.916 176.870 -0.071 0.000 1.077 122 L CA 1.654 56.446 54.840 -0.081 0.000 0.747 122 L CB -0.976 40.976 42.059 -0.178 0.000 0.896 122 L HN 0.103 nan 8.230 nan 0.000 0.432 123 D N -0.114 120.233 120.400 -0.088 0.000 2.092 123 D HA -0.238 4.403 4.640 0.001 0.000 0.193 123 D C 2.348 178.651 176.300 0.005 0.000 0.994 123 D CA 1.550 55.522 54.000 -0.047 0.000 0.828 123 D CB 0.026 40.805 40.800 -0.035 0.000 0.963 123 D HN 0.180 nan 8.370 nan 0.000 0.450 124 M N -0.607 119.003 119.600 0.016 0.000 2.213 124 M HA -0.118 4.363 4.480 0.001 0.000 0.263 124 M C 2.252 178.603 176.300 0.086 0.000 1.062 124 M CA 0.588 55.919 55.300 0.052 0.000 1.105 124 M CB -0.051 32.566 32.600 0.027 0.000 1.385 124 M HN -0.016 nan 8.290 nan 0.000 0.417 125 V N 1.058 121.005 119.914 0.054 0.000 2.261 125 V HA -0.264 3.857 4.120 0.001 0.000 0.246 125 V C 2.311 178.464 176.094 0.099 0.000 1.047 125 V CA 1.757 64.104 62.300 0.079 0.000 1.015 125 V CB -0.581 31.268 31.823 0.044 0.000 0.642 125 V HN 0.448 nan 8.190 nan 0.000 0.446 126 L N -0.650 120.612 121.223 0.066 0.000 2.046 126 L HA -0.214 4.127 4.340 0.001 0.000 0.208 126 L C 2.567 179.492 176.870 0.092 0.000 1.077 126 L CA 1.760 56.643 54.840 0.071 0.000 0.747 126 L CB -0.634 41.448 42.059 0.038 0.000 0.896 126 L HN 0.272 nan 8.230 nan 0.000 0.432 127 K N -0.839 119.612 120.400 0.086 0.000 2.057 127 K HA -0.200 4.120 4.320 0.001 0.000 0.206 127 K C 2.323 179.005 176.600 0.136 0.000 1.050 127 K CA 1.611 57.953 56.287 0.092 0.000 0.935 127 K CB -0.486 32.051 32.500 0.063 0.000 0.715 127 K HN 0.387 nan 8.250 nan 0.000 0.439 128 C N 1.291 120.692 119.300 0.168 0.000 2.432 128 C HA -0.068 4.393 4.460 0.001 0.000 0.277 128 C C 2.431 177.618 174.990 0.329 0.000 1.249 128 C CA 0.659 59.825 59.018 0.248 0.000 1.725 128 C CB -0.937 27.006 27.740 0.337 0.000 2.028 128 C HN 0.379 nan 8.230 nan 0.000 0.477 129 L N 0.235 121.613 121.223 0.259 0.000 2.056 129 L HA -0.090 4.250 4.340 0.001 0.000 0.207 129 L C 3.016 180.016 176.870 0.216 0.000 1.078 129 L CA 1.680 56.669 54.840 0.248 0.000 0.749 129 L CB -0.728 41.440 42.059 0.181 0.000 0.901 129 L HN 0.316 nan 8.230 nan 0.000 0.433 130 R N -1.256 119.342 120.500 0.164 0.000 2.115 130 R HA -0.178 4.163 4.340 0.001 0.000 0.230 130 R C 2.274 178.630 176.300 0.093 0.000 1.111 130 R CA 1.299 57.467 56.100 0.112 0.000 0.976 130 R CB -0.404 29.947 30.300 0.084 0.000 0.870 130 R HN 0.267 nan 8.270 nan 0.000 0.445 131 Y N 0.194 120.486 120.300 -0.015 0.000 2.114 131 Y HA -0.276 4.275 4.550 0.001 0.000 0.284 131 Y C 1.649 177.478 175.900 -0.118 0.000 1.143 131 Y CA 1.544 59.566 58.100 -0.131 0.000 1.135 131 Y CB -0.400 37.928 38.460 -0.221 0.000 0.980 131 Y HN 0.000 nan 8.280 nan 0.000 0.499 132 Y N -0.407 119.973 120.300 0.133 0.000 2.373 132 Y HA -0.104 4.446 4.550 0.001 0.000 0.293 132 Y C 2.610 178.545 175.900 0.059 0.000 1.129 132 Y CA 0.675 58.839 58.100 0.106 0.000 1.226 132 Y CB -0.562 38.004 38.460 0.176 0.000 1.000 132 Y HN 0.264 nan 8.280 nan 0.000 0.549 133 A N 0.272 123.199 122.820 0.180 0.000 1.948 133 A HA -0.224 4.096 4.320 0.001 0.000 0.220 133 A C 2.492 180.094 177.584 0.029 0.000 1.177 133 A CA 1.960 54.066 52.037 0.114 0.000 0.636 133 A CB -1.449 17.602 19.000 0.085 0.000 0.815 133 A HN 0.490 nan 8.150 nan 0.000 0.449 134 G N -2.490 106.255 108.800 -0.092 0.000 2.448 134 G HA2 -0.194 3.767 3.960 0.001 0.000 0.218 134 G HA3 -0.194 3.767 3.960 0.001 0.000 0.218 134 G C 1.353 176.125 174.900 -0.213 0.000 1.135 134 G CA 0.651 45.626 45.100 -0.209 0.000 0.784 134 G HN 0.690 nan 8.290 nan 0.000 0.543 135 W N 0.821 122.019 121.300 -0.170 0.000 2.519 135 W HA 0.215 4.875 4.660 0.001 0.000 0.266 135 W C 2.790 179.289 176.519 -0.033 0.000 1.253 135 W CA 0.269 57.545 57.345 -0.115 0.000 1.274 135 W CB 0.301 29.712 29.460 -0.082 0.000 1.114 135 W HN 0.264 nan 8.180 nan 0.000 0.596 136 A N 1.019 123.972 122.820 0.221 0.000 1.927 136 A HA -0.279 4.042 4.320 0.001 0.000 0.220 136 A C 1.355 179.011 177.584 0.120 0.000 1.185 136 A CA 2.324 54.453 52.037 0.154 0.000 0.639 136 A CB -0.792 18.273 19.000 0.109 0.000 0.820 136 A HN 0.371 nan 8.150 nan 0.000 0.451 137 D N -2.242 118.215 120.400 0.094 0.000 2.559 137 D HA 0.201 4.841 4.640 0.001 0.000 0.234 137 D C 0.496 176.818 176.300 0.035 0.000 1.226 137 D CA -0.028 54.009 54.000 0.062 0.000 0.830 137 D CB 0.030 40.855 40.800 0.041 0.000 1.028 137 D HN 0.465 nan 8.370 nan 0.000 0.492 138 K N -0.626 119.815 120.400 0.068 0.000 2.517 138 K HA 0.054 4.375 4.320 0.001 0.000 0.210 138 K C -0.470 176.053 176.600 -0.129 0.000 1.166 138 K CA -0.484 55.752 56.287 -0.084 0.000 1.030 138 K CB 0.801 33.320 32.500 0.032 0.000 0.974 138 K HN -0.041 nan 8.250 nan 0.000 0.585 139 Y N 2.950 123.198 120.300 -0.087 0.000 2.736 139 Y HA 0.145 4.696 4.550 0.001 0.000 0.339 139 Y C -0.462 175.397 175.900 -0.068 0.000 1.301 139 Y CA -1.244 56.816 58.100 -0.066 0.000 1.676 139 Y CB -0.969 37.475 38.460 -0.026 0.000 1.725 139 Y HN 0.080 nan 8.280 nan 0.000 0.466 140 H N 0.705 119.744 119.070 -0.051 0.000 2.790 140 H HA 0.366 4.923 4.556 0.001 0.000 0.358 140 H C 0.981 175.949 175.328 -0.600 0.000 1.103 140 H CA 0.426 56.353 56.048 -0.201 0.000 1.426 140 H CB 0.761 30.460 29.762 -0.105 0.000 1.424 140 H HN 0.694 nan 8.280 nan 0.000 0.599 141 G N 0.904 109.377 108.800 -0.545 0.000 2.510 141 G HA2 0.417 4.378 3.960 0.001 0.000 0.280 141 G HA3 0.417 4.378 3.960 0.001 0.000 0.280 141 G C -0.728 174.006 174.900 -0.277 0.000 1.386 141 G CA -0.870 43.758 45.100 -0.786 0.000 1.047 141 G HN 0.555 nan 8.290 nan 0.000 0.527 142 K N -0.552 119.763 120.400 -0.141 0.000 2.375 142 K HA 0.515 4.836 4.320 0.001 0.000 0.249 142 K C -0.711 175.915 176.600 0.044 0.000 0.942 142 K CA -0.674 55.591 56.287 -0.037 0.000 0.806 142 K CB 2.128 34.618 32.500 -0.016 0.000 1.227 142 K HN 0.613 nan 8.250 nan 0.000 0.430 143 T N -0.645 113.952 114.554 0.072 0.000 2.829 143 T HA 0.633 4.984 4.350 0.001 0.000 0.282 143 T C 0.020 174.794 174.700 0.123 0.000 0.990 143 T CA -0.735 61.462 62.100 0.162 0.000 1.028 143 T CB 0.185 69.198 68.868 0.241 0.000 0.951 143 T HN 0.412 nan 8.240 nan 0.000 0.460 144 I N 3.939 124.588 120.570 0.131 0.000 2.466 144 I HA 0.344 4.515 4.170 0.001 0.000 0.289 144 I C -2.291 173.888 176.117 0.104 0.000 1.026 144 I CA -2.916 58.433 61.300 0.082 0.000 1.078 144 I CB 2.596 40.616 38.000 0.034 0.000 1.249 144 I HN 0.436 nan 8.210 nan 0.000 0.429 145 P HA 0.210 nan 4.420 nan 0.000 0.228 145 P C 0.200 177.547 177.300 0.080 0.000 1.748 145 P CA 0.022 63.174 63.100 0.087 0.000 0.909 145 P CB -0.226 31.510 31.700 0.060 0.000 1.882 146 I N 0.521 121.145 120.570 0.089 0.000 2.892 146 I HA -0.028 4.142 4.170 0.001 0.000 0.287 146 I C 0.373 176.559 176.117 0.115 0.000 1.205 146 I CA 0.020 61.364 61.300 0.074 0.000 1.409 146 I CB 0.608 38.633 38.000 0.042 0.000 1.367 146 I HN 0.010 nan 8.210 nan 0.000 0.597 147 D N 4.685 125.143 120.400 0.095 0.000 2.423 147 D HA 0.413 5.054 4.640 0.001 0.000 0.238 147 D C 0.342 176.790 176.300 0.246 0.000 1.142 147 D CA 1.266 55.340 54.000 0.123 0.000 0.884 147 D CB 0.767 41.618 40.800 0.085 0.000 1.199 147 D HN 0.923 nan 8.370 nan 0.000 0.438 148 G N 1.685 110.610 108.800 0.208 0.000 2.710 148 G HA2 -0.176 3.785 3.960 0.001 0.000 0.668 148 G HA3 -0.176 3.785 3.960 0.001 0.000 0.668 148 G C -0.869 174.062 174.900 0.052 0.000 1.320 148 G CA -0.802 44.432 45.100 0.223 0.000 0.860 148 G HN 0.482 nan 8.290 nan 0.000 0.538 149 D N 0.941 121.138 120.400 -0.340 0.000 2.551 149 D HA 0.492 5.133 4.640 0.001 0.000 0.223 149 D C -0.150 175.707 176.300 -0.739 0.000 1.144 149 D CA 0.989 54.735 54.000 -0.423 0.000 1.025 149 D CB -0.491 40.086 40.800 -0.372 0.000 1.085 149 D HN 0.291 nan 8.370 nan 0.000 0.506 150 F N 0.548 120.542 119.950 0.073 0.000 2.601 150 F HA 0.331 4.859 4.527 0.001 0.000 0.309 150 F C -0.386 175.529 175.800 0.191 0.000 1.089 150 F CA -1.448 56.612 58.000 0.100 0.000 0.940 150 F CB 1.653 40.683 39.000 0.050 0.000 1.273 150 F HN -0.115 nan 8.300 nan 0.000 0.450 151 F N 2.492 122.580 119.950 0.230 0.000 2.361 151 F HA 0.640 5.168 4.527 0.001 0.000 0.364 151 F C -0.405 175.511 175.800 0.193 0.000 1.117 151 F CA -0.999 57.113 58.000 0.188 0.000 1.071 151 F CB 0.892 39.995 39.000 0.172 0.000 1.188 151 F HN 0.270 nan 8.300 nan 0.000 0.464 152 S N 6.680 122.398 115.700 0.029 0.000 2.482 152 S HA 0.811 5.282 4.470 0.001 0.000 0.303 152 S C -1.391 173.078 174.600 -0.219 0.000 1.091 152 S CA -0.266 57.803 58.200 -0.218 0.000 1.057 152 S CB 0.685 63.825 63.200 -0.101 0.000 1.031 152 S HN 0.680 nan 8.310 nan 0.000 0.485 153 Y N -0.113 119.959 120.300 -0.379 0.000 2.638 153 Y HA 0.727 5.277 4.550 0.001 0.000 0.335 153 Y C -0.626 175.168 175.900 -0.176 0.000 1.155 153 Y CA -1.101 56.837 58.100 -0.270 0.000 1.046 153 Y CB 0.733 38.976 38.460 -0.362 0.000 1.303 153 Y HN 0.547 nan 8.280 nan 0.000 0.460 154 T N -0.215 114.382 114.554 0.072 0.000 2.856 154 T HA 0.688 5.039 4.350 0.001 0.000 0.283 154 T C -0.788 173.978 174.700 0.109 0.000 1.008 154 T CA -1.059 61.060 62.100 0.032 0.000 0.997 154 T CB 1.656 70.549 68.868 0.042 0.000 0.992 154 T HN 0.796 nan 8.240 nan 0.000 0.454 155 R N 1.465 122.034 120.500 0.115 0.000 2.294 155 R HA 0.305 4.646 4.340 0.001 0.000 0.319 155 R C -0.292 176.130 176.300 0.204 0.000 0.984 155 R CA -0.629 55.546 56.100 0.124 0.000 0.861 155 R CB 0.801 31.178 30.300 0.128 0.000 1.104 155 R HN 0.729 nan 8.270 nan 0.000 0.451 156 H N 2.468 121.559 119.070 0.035 0.000 2.846 156 H HA 0.110 4.667 4.556 0.001 0.000 0.278 156 H C -0.230 175.149 175.328 0.086 0.000 1.117 156 H CA -0.278 55.797 56.048 0.045 0.000 1.406 156 H CB 0.904 30.669 29.762 0.006 0.000 1.445 156 H HN 0.404 nan 8.280 nan 0.000 0.469 157 E N 4.446 124.764 120.200 0.196 0.000 2.232 157 E HA 0.265 4.616 4.350 0.001 0.000 0.264 157 E C -2.503 174.209 176.600 0.186 0.000 0.973 157 E CA -2.400 54.101 56.400 0.169 0.000 0.849 157 E CB 1.351 31.136 29.700 0.142 0.000 1.198 157 E HN 0.388 nan 8.360 nan 0.000 0.407 158 P HA -0.062 nan 4.420 nan 0.000 0.271 158 P C 0.581 177.997 177.300 0.193 0.000 1.218 158 P CA -0.027 63.224 63.100 0.252 0.000 0.780 158 P CB 0.744 32.693 31.700 0.416 0.000 0.901 159 V N 2.079 122.044 119.914 0.084 0.000 2.626 159 V HA 0.058 4.179 4.120 0.001 0.000 0.252 159 V C 1.060 177.089 176.094 -0.109 0.000 1.067 159 V CA 2.696 64.999 62.300 0.005 0.000 1.081 159 V CB -1.130 30.668 31.823 -0.042 0.000 0.686 159 V HN 0.954 nan 8.190 nan 0.000 0.468 160 G N -0.884 107.715 108.800 -0.335 0.000 2.390 160 G HA2 -0.137 3.824 3.960 0.001 0.000 0.202 160 G HA3 -0.137 3.824 3.960 0.001 0.000 0.202 160 G C -0.443 174.053 174.900 -0.673 0.000 1.210 160 G CA -0.225 44.293 45.100 -0.971 0.000 1.271 160 G HN 0.616 nan 8.290 nan 0.000 0.543 161 V N 1.297 120.949 119.914 -0.437 0.000 2.405 161 V HA 0.404 4.524 4.120 0.001 0.000 0.264 161 V C 0.405 176.419 176.094 -0.132 0.000 1.048 161 V CA -0.111 62.050 62.300 -0.232 0.000 0.966 161 V CB 0.221 31.948 31.823 -0.160 0.000 1.015 161 V HN 0.816 nan 8.190 nan 0.000 0.477 162 C N 4.890 124.147 119.300 -0.072 0.000 2.264 162 C HA 0.681 5.142 4.460 0.001 0.000 0.324 162 C C 1.068 176.063 174.990 0.010 0.000 1.267 162 C CA -0.995 58.024 59.018 0.001 0.000 1.618 162 C CB 0.266 28.086 27.740 0.135 0.000 2.278 162 C HN 0.989 nan 8.230 nan 0.000 0.499 163 G N 3.081 111.884 108.800 0.006 0.000 2.339 163 G HA2 0.517 4.478 3.960 0.001 0.000 0.287 163 G HA3 0.517 4.478 3.960 0.001 0.000 0.287 163 G C -0.768 174.172 174.900 0.066 0.000 1.163 163 G CA -0.126 44.987 45.100 0.022 0.000 0.872 163 G HN 0.814 nan 8.290 nan 0.000 0.464 164 Q N 1.480 121.325 119.800 0.074 0.000 2.310 164 Q HA 0.440 4.781 4.340 0.001 0.000 0.270 164 Q C -0.889 175.170 176.000 0.098 0.000 1.025 164 Q CA -0.483 55.380 55.803 0.100 0.000 0.772 164 Q CB 2.833 31.626 28.738 0.092 0.000 1.253 164 Q HN 0.514 nan 8.270 nan 0.000 0.450 165 I N 4.793 125.443 120.570 0.134 0.000 2.382 165 I HA 0.430 4.601 4.170 0.001 0.000 0.285 165 I C -0.112 176.019 176.117 0.022 0.000 1.007 165 I CA -0.748 60.639 61.300 0.145 0.000 1.142 165 I CB 0.911 39.114 38.000 0.339 0.000 1.289 165 I HN 0.532 nan 8.210 nan 0.000 0.453 166 I N 4.951 125.515 120.570 -0.010 0.000 2.648 166 I HA 0.771 4.942 4.170 0.001 0.000 0.304 166 I C -2.696 173.355 176.117 -0.110 0.000 1.009 166 I CA -2.288 58.961 61.300 -0.085 0.000 1.114 166 I CB 1.853 39.826 38.000 -0.044 0.000 1.293 166 I HN 0.187 nan 8.210 nan 0.000 0.449 167 P HA 0.245 nan 4.420 nan 0.000 0.301 167 P C -0.172 177.020 177.300 -0.180 0.000 1.309 167 P CA -0.409 62.519 63.100 -0.286 0.000 0.782 167 P CB 0.426 31.835 31.700 -0.486 0.000 1.282 168 W N 0.174 121.445 121.300 -0.048 0.000 3.220 168 W HA 0.089 4.751 4.660 0.002 0.000 0.328 168 W C 0.632 177.087 176.519 -0.107 0.000 1.205 168 W CA 0.103 57.411 57.345 -0.062 0.000 1.773 168 W CB -1.243 28.183 29.460 -0.057 0.000 1.086 168 W HN 0.231 nan 8.180 nan 0.000 0.622 169 N N 2.033 120.542 118.700 -0.319 0.000 2.250 169 N HA -0.139 4.601 4.740 0.001 0.000 0.181 169 N C -0.155 174.964 175.510 -0.652 0.000 1.017 169 N CA 0.717 53.528 53.050 -0.397 0.000 0.866 169 N CB -1.082 37.036 38.487 -0.615 0.000 0.985 169 N HN 0.084 nan 8.380 nan 0.000 0.429 170 F N -0.133 119.701 119.950 -0.192 0.000 2.769 170 F HA 0.451 4.979 4.527 0.002 0.000 0.358 170 F C -1.830 173.854 175.800 -0.195 0.000 1.285 170 F CA -2.025 55.844 58.000 -0.217 0.000 1.199 170 F CB 2.211 40.995 39.000 -0.360 0.000 1.558 170 F HN -0.156 nan 8.300 nan 0.000 0.583 171 P HA -0.169 nan 4.420 nan 0.000 0.214 171 P C 1.902 179.200 177.300 -0.004 0.000 1.163 171 P CA 1.525 64.631 63.100 0.010 0.000 0.883 171 P CB 0.443 32.162 31.700 0.031 0.000 0.788 172 L N -1.882 119.342 121.223 0.002 0.000 2.056 172 L HA -0.136 4.205 4.340 0.001 0.000 0.207 172 L C 2.399 179.243 176.870 -0.042 0.000 1.078 172 L CA 0.840 55.680 54.840 0.000 0.000 0.749 172 L CB -0.843 41.226 42.059 0.017 0.000 0.901 172 L HN -0.022 nan 8.230 nan 0.000 0.433 173 L N -0.710 120.451 121.223 -0.104 0.000 2.027 173 L HA -0.200 4.140 4.340 0.001 0.000 0.206 173 L C 2.488 179.101 176.870 -0.428 0.000 1.074 173 L CA 1.800 56.477 54.840 -0.271 0.000 0.745 173 L CB -0.396 41.392 42.059 -0.451 0.000 0.898 173 L HN 0.157 nan 8.230 nan 0.000 0.433 174 M N -0.886 118.472 119.600 -0.403 0.000 2.149 174 M HA -0.251 4.229 4.480 0.001 0.000 0.261 174 M C 2.261 178.521 176.300 -0.068 0.000 1.064 174 M CA 1.653 56.771 55.300 -0.303 0.000 1.102 174 M CB -1.347 31.122 32.600 -0.220 0.000 1.369 174 M HN 0.511 nan 8.290 nan 0.000 0.408 175 Q N 0.042 119.815 119.800 -0.045 0.000 2.061 175 Q HA -0.162 4.178 4.340 0.001 0.000 0.204 175 Q C 2.039 178.062 176.000 0.038 0.000 0.984 175 Q CA 2.267 58.070 55.803 0.001 0.000 0.846 175 Q CB -0.060 28.678 28.738 -0.001 0.000 0.902 175 Q HN 0.493 nan 8.270 nan 0.000 0.421 176 A N -0.172 122.686 122.820 0.065 0.000 1.902 176 A HA -0.176 4.144 4.320 0.001 0.000 0.217 176 A C 1.550 179.295 177.584 0.268 0.000 1.181 176 A CA 1.221 53.346 52.037 0.147 0.000 0.623 176 A CB -1.115 17.990 19.000 0.174 0.000 0.818 176 A HN 0.651 nan 8.150 nan 0.000 0.443 177 W N 0.460 121.763 121.300 0.005 0.000 2.364 177 W HA -0.054 4.607 4.660 0.002 0.000 0.281 177 W C 2.091 178.584 176.519 -0.044 0.000 1.219 177 W CA 1.315 58.671 57.345 0.018 0.000 1.220 177 W CB -0.120 29.341 29.460 0.002 0.000 1.127 177 W HN 0.247 nan 8.180 nan 0.000 0.556 178 K N -0.528 119.970 120.400 0.163 0.000 2.141 178 K HA 0.106 4.427 4.320 0.001 0.000 0.202 178 K C 2.036 178.556 176.600 -0.135 0.000 1.045 178 K CA 0.684 56.989 56.287 0.030 0.000 0.971 178 K CB -0.876 31.663 32.500 0.065 0.000 0.795 178 K HN 0.200 nan 8.250 nan 0.000 0.459 179 L N 0.373 121.545 121.223 -0.085 0.000 2.109 179 L HA -0.045 4.296 4.340 0.001 0.000 0.207 179 L C 2.485 179.261 176.870 -0.156 0.000 1.086 179 L CA 1.203 55.964 54.840 -0.132 0.000 0.760 179 L CB -1.006 40.991 42.059 -0.104 0.000 0.910 179 L HN 0.255 nan 8.230 nan 0.000 0.437 180 G N 1.461 110.195 108.800 -0.110 0.000 2.586 180 G HA2 -0.237 3.724 3.960 0.001 0.000 0.218 180 G HA3 -0.237 3.724 3.960 0.001 0.000 0.218 180 G C -0.543 174.108 174.900 -0.415 0.000 1.216 180 G CA 1.105 46.147 45.100 -0.096 0.000 0.786 180 G HN 0.318 nan 8.290 nan 0.000 0.583 181 P HA 0.049 nan 4.420 nan 0.000 0.218 181 P C 2.069 178.951 177.300 -0.696 0.000 1.152 181 P CA 1.871 64.391 63.100 -0.966 0.000 0.826 181 P CB -0.147 30.932 31.700 -1.035 0.000 0.790 182 A N 0.500 122.794 122.820 -0.876 0.000 1.883 182 A HA -0.142 4.179 4.320 0.001 0.000 0.217 182 A C 2.414 179.924 177.584 -0.124 0.000 1.186 182 A CA 1.630 53.278 52.037 -0.648 0.000 0.624 182 A CB -1.634 17.058 19.000 -0.514 0.000 0.822 182 A HN 0.130 nan 8.150 nan 0.000 0.444 183 L N -1.059 120.146 121.223 -0.030 0.000 2.131 183 L HA -0.063 4.278 4.340 0.001 0.000 0.206 183 L C 3.044 180.093 176.870 0.299 0.000 1.087 183 L CA 0.767 55.778 54.840 0.285 0.000 0.767 183 L CB -0.570 41.647 42.059 0.264 0.000 0.917 183 L HN 0.408 nan 8.230 nan 0.000 0.441 184 A N 0.394 123.293 122.820 0.132 0.000 1.948 184 A HA -0.214 4.107 4.320 0.001 0.000 0.220 184 A C 2.214 179.852 177.584 0.089 0.000 1.177 184 A CA 2.306 54.423 52.037 0.134 0.000 0.636 184 A CB -0.927 18.159 19.000 0.143 0.000 0.815 184 A HN 0.514 nan 8.150 nan 0.000 0.449 185 T N -4.157 110.427 114.554 0.050 0.000 3.144 185 T HA 0.424 4.775 4.350 0.001 0.000 0.249 185 T C 1.227 175.991 174.700 0.108 0.000 1.089 185 T CA 0.900 63.043 62.100 0.071 0.000 0.989 185 T CB -0.016 68.885 68.868 0.054 0.000 0.992 185 T HN 1.694 nan 8.240 nan 0.000 0.540 186 G N 1.732 110.606 108.800 0.122 0.000 2.147 186 G HA2 -0.259 3.702 3.960 0.001 0.000 0.244 186 G HA3 -0.259 3.702 3.960 0.001 0.000 0.244 186 G C 0.050 175.218 174.900 0.447 0.000 1.005 186 G CA -0.168 44.967 45.100 0.057 0.000 0.713 186 G HN 0.587 nan 8.290 nan 0.000 0.515 187 N N -0.742 118.217 118.700 0.432 0.000 2.327 187 N HA 0.578 5.319 4.740 0.001 0.000 0.257 187 N C 0.521 176.284 175.510 0.422 0.000 1.281 187 N CA 0.655 53.901 53.050 0.325 0.000 0.942 187 N CB 1.592 40.178 38.487 0.166 0.000 1.199 187 N HN 0.809 nan 8.380 nan 0.000 0.532 188 V N -2.592 117.396 119.914 0.123 0.000 3.001 188 V HA 0.741 4.861 4.120 0.001 0.000 0.314 188 V C -0.399 175.667 176.094 -0.046 0.000 1.099 188 V CA -0.764 61.544 62.300 0.014 0.000 0.989 188 V CB 1.760 33.596 31.823 0.021 0.000 1.040 188 V HN 0.245 nan 8.190 nan 0.000 0.434 189 V N 2.451 122.319 119.914 -0.076 0.000 2.735 189 V HA 0.624 4.745 4.120 0.001 0.000 0.310 189 V C -0.593 175.465 176.094 -0.059 0.000 1.061 189 V CA -0.540 61.727 62.300 -0.056 0.000 0.913 189 V CB 2.178 33.964 31.823 -0.062 0.000 1.005 189 V HN 0.823 nan 8.190 nan 0.000 0.428 190 V N 5.376 125.265 119.914 -0.042 0.000 2.376 190 V HA 0.483 4.604 4.120 0.001 0.000 0.287 190 V C -0.204 175.889 176.094 -0.001 0.000 1.015 190 V CA -0.269 62.010 62.300 -0.035 0.000 0.834 190 V CB 1.425 33.210 31.823 -0.064 0.000 1.001 190 V HN 0.891 nan 8.190 nan 0.000 0.428 191 M N 5.367 124.975 119.600 0.013 0.000 2.227 191 M HA 0.553 5.034 4.480 0.001 0.000 0.335 191 M C -0.615 175.715 176.300 0.051 0.000 1.053 191 M CA -0.554 54.764 55.300 0.032 0.000 0.973 191 M CB 1.236 33.847 32.600 0.019 0.000 1.623 191 M HN 0.383 nan 8.290 nan 0.000 0.434 192 K N 5.239 125.677 120.400 0.062 0.000 2.263 192 K HA 0.410 4.730 4.320 0.001 0.000 0.272 192 K C -1.077 175.564 176.600 0.068 0.000 1.033 192 K CA -0.305 56.025 56.287 0.072 0.000 0.884 192 K CB 0.897 33.446 32.500 0.081 0.000 1.107 192 K HN 0.689 nan 8.250 nan 0.000 0.460 193 V N 0.877 120.834 119.914 0.072 0.000 2.997 193 V HA 0.705 4.826 4.120 0.001 0.000 0.311 193 V C 0.297 176.425 176.094 0.056 0.000 1.066 193 V CA -1.045 61.296 62.300 0.068 0.000 1.039 193 V CB 1.218 33.092 31.823 0.085 0.000 1.081 193 V HN 0.737 nan 8.190 nan 0.000 0.467 194 A N 2.395 125.255 122.820 0.067 0.000 2.425 194 A HA 0.359 4.679 4.320 0.001 0.000 0.249 194 A C 1.233 178.824 177.584 0.012 0.000 1.084 194 A CA 0.221 52.302 52.037 0.073 0.000 0.781 194 A CB 0.142 19.263 19.000 0.202 0.000 1.019 194 A HN 1.130 nan 8.150 nan 0.000 0.490 195 E N 1.792 121.897 120.200 -0.157 0.000 2.268 195 E HA -0.227 4.124 4.350 0.001 0.000 0.195 195 E C 1.019 177.581 176.600 -0.063 0.000 0.995 195 E CA 1.399 57.604 56.400 -0.324 0.000 0.836 195 E CB -0.231 28.810 29.700 -1.098 0.000 0.763 195 E HN 0.796 nan 8.360 nan 0.000 0.491 196 Q N 0.804 120.569 119.800 -0.058 0.000 2.230 196 Q HA -0.003 4.338 4.340 0.001 0.000 0.202 196 Q C 0.627 176.629 176.000 0.002 0.000 0.963 196 Q CA 1.784 57.537 55.803 -0.083 0.000 0.866 196 Q CB 0.396 28.964 28.738 -0.283 0.000 0.931 196 Q HN 0.462 nan 8.270 nan 0.000 0.452 197 T N -3.965 110.634 114.554 0.074 0.000 3.816 197 T HA 0.274 4.625 4.350 0.001 0.000 0.232 197 T C -2.515 172.240 174.700 0.092 0.000 1.125 197 T CA -1.186 60.962 62.100 0.079 0.000 1.609 197 T CB 1.088 70.019 68.868 0.104 0.000 0.805 197 T HN -0.047 nan 8.240 nan 0.000 0.647 198 P HA 0.227 nan 4.420 nan 0.000 0.234 198 P C 1.563 178.926 177.300 0.105 0.000 1.175 198 P CA -0.107 63.069 63.100 0.125 0.000 0.801 198 P CB 0.418 32.230 31.700 0.187 0.000 0.891 199 L N 0.486 121.753 121.223 0.073 0.000 2.027 199 L HA -0.118 4.223 4.340 0.001 0.000 0.206 199 L C 2.801 179.742 176.870 0.118 0.000 1.074 199 L CA 2.535 57.419 54.840 0.074 0.000 0.745 199 L CB -1.900 40.179 42.059 0.033 0.000 0.898 199 L HN 0.097 nan 8.230 nan 0.000 0.433 200 T N -2.175 112.431 114.554 0.087 0.000 2.788 200 T HA -0.125 4.226 4.350 0.001 0.000 0.268 200 T C 1.964 176.755 174.700 0.151 0.000 1.044 200 T CA 0.952 63.116 62.100 0.107 0.000 1.139 200 T CB -0.424 68.471 68.868 0.044 0.000 0.867 200 T HN 0.312 nan 8.240 nan 0.000 0.454 201 A N 1.743 124.631 122.820 0.113 0.000 1.933 201 A HA 0.134 4.455 4.320 0.001 0.000 0.218 201 A C 2.452 180.105 177.584 0.115 0.000 1.175 201 A CA 1.361 53.454 52.037 0.094 0.000 0.628 201 A CB -0.886 18.160 19.000 0.077 0.000 0.814 201 A HN 0.555 nan 8.150 nan 0.000 0.444 202 L N -2.469 118.864 121.223 0.184 0.000 2.056 202 L HA -0.161 4.179 4.340 0.001 0.000 0.207 202 L C 2.575 179.623 176.870 0.296 0.000 1.078 202 L CA 1.629 56.646 54.840 0.295 0.000 0.749 202 L CB -0.686 41.546 42.059 0.289 0.000 0.901 202 L HN 0.549 nan 8.230 nan 0.000 0.433 203 Y N 0.540 120.934 120.300 0.156 0.000 2.128 203 Y HA -0.258 4.292 4.550 0.001 0.000 0.284 203 Y C 2.460 178.430 175.900 0.116 0.000 1.154 203 Y CA 1.689 59.892 58.100 0.172 0.000 1.149 203 Y CB -0.260 38.346 38.460 0.243 0.000 0.976 203 Y HN -0.171 nan 8.280 nan 0.000 0.505 204 V N 0.336 120.350 119.914 0.166 0.000 2.332 204 V HA -0.375 3.746 4.120 0.001 0.000 0.248 204 V C 2.656 178.654 176.094 -0.160 0.000 1.055 204 V CA 1.752 64.070 62.300 0.030 0.000 1.038 204 V CB -1.620 30.236 31.823 0.057 0.000 0.651 204 V HN 0.585 nan 8.190 nan 0.000 0.450 205 A N 0.277 122.942 122.820 -0.259 0.000 1.917 205 A HA -0.321 4.000 4.320 0.001 0.000 0.219 205 A C 2.075 179.215 177.584 -0.739 0.000 1.182 205 A CA 2.419 54.023 52.037 -0.722 0.000 0.633 205 A CB -0.854 17.472 19.000 -1.122 0.000 0.819 205 A HN 0.575 nan 8.150 nan 0.000 0.448 206 N N -0.084 118.433 118.700 -0.305 0.000 2.149 206 N HA -0.086 4.655 4.740 0.001 0.000 0.188 206 N C 1.492 176.914 175.510 -0.147 0.000 1.019 206 N CA 1.374 54.370 53.050 -0.090 0.000 0.857 206 N CB -0.383 38.056 38.487 -0.080 0.000 0.997 206 N HN 0.539 nan 8.380 nan 0.000 0.426 207 L N -0.301 120.795 121.223 -0.212 0.000 2.217 207 L HA 0.001 4.342 4.340 0.001 0.000 0.211 207 L C 1.938 178.812 176.870 0.007 0.000 1.107 207 L CA 0.471 55.255 54.840 -0.093 0.000 0.783 207 L CB -0.254 41.774 42.059 -0.052 0.000 0.919 207 L HN 0.168 nan 8.230 nan 0.000 0.442 208 I N 0.306 120.845 120.570 -0.052 0.000 2.286 208 I HA -0.306 3.865 4.170 0.001 0.000 0.248 208 I C 2.715 178.956 176.117 0.208 0.000 1.115 208 I CA 1.345 62.665 61.300 0.034 0.000 1.392 208 I CB -0.233 37.636 38.000 -0.218 0.000 1.065 208 I HN 0.261 nan 8.210 nan 0.000 0.418 209 K N 1.274 121.760 120.400 0.142 0.000 2.025 209 K HA -0.242 4.079 4.320 0.001 0.000 0.207 209 K C 2.106 178.787 176.600 0.134 0.000 1.049 209 K CA 1.629 58.028 56.287 0.186 0.000 0.933 209 K CB -0.116 32.511 32.500 0.213 0.000 0.714 209 K HN 0.223 nan 8.250 nan 0.000 0.438 210 E N -0.198 120.057 120.200 0.091 0.000 2.118 210 E HA -0.192 4.159 4.350 0.001 0.000 0.195 210 E C 1.694 178.340 176.600 0.077 0.000 0.992 210 E CA 1.030 57.469 56.400 0.065 0.000 0.804 210 E CB -0.102 29.615 29.700 0.028 0.000 0.741 210 E HN 0.483 nan 8.360 nan 0.000 0.458 211 A N -0.169 122.723 122.820 0.120 0.000 2.015 211 A HA 0.050 4.371 4.320 0.001 0.000 0.219 211 A C 1.843 179.437 177.584 0.016 0.000 1.163 211 A CA 1.468 53.567 52.037 0.104 0.000 0.646 211 A CB -0.299 18.841 19.000 0.233 0.000 0.806 211 A HN 0.493 nan 8.150 nan 0.000 0.448 212 G N -2.833 106.008 108.800 0.069 0.000 2.159 212 G HA2 -0.146 3.815 3.960 0.001 0.000 0.170 212 G HA3 -0.146 3.815 3.960 0.001 0.000 0.170 212 G C -0.041 174.856 174.900 -0.005 0.000 1.007 212 G CA -0.254 44.857 45.100 0.018 0.000 0.672 212 G HN 0.263 nan 8.290 nan 0.000 0.507 213 F N 1.751 121.723 119.950 0.037 0.000 2.572 213 F HA 0.403 4.931 4.527 0.001 0.000 0.370 213 F C -1.113 174.664 175.800 -0.038 0.000 1.103 213 F CA -1.316 56.668 58.000 -0.027 0.000 1.286 213 F CB 0.333 39.251 39.000 -0.137 0.000 1.105 213 F HN -0.087 nan 8.300 nan 0.000 0.583 214 P HA 0.078 nan 4.420 nan 0.000 0.269 214 P C -2.530 174.770 177.300 0.001 0.000 1.215 214 P CA -1.029 62.114 63.100 0.073 0.000 0.780 214 P CB -0.089 31.688 31.700 0.130 0.000 0.898 215 P HA 0.038 nan 4.420 nan 0.000 0.264 215 P C 1.018 178.264 177.300 -0.090 0.000 1.193 215 P CA 1.228 64.287 63.100 -0.070 0.000 0.763 215 P CB -0.002 31.665 31.700 -0.055 0.000 0.810 216 G N 1.380 110.095 108.800 -0.142 0.000 2.217 216 G HA2 -0.304 3.657 3.960 0.001 0.000 0.246 216 G HA3 -0.304 3.657 3.960 0.001 0.000 0.246 216 G C 0.973 175.785 174.900 -0.147 0.000 0.990 216 G CA 0.190 45.212 45.100 -0.130 0.000 0.627 216 G HN 0.398 nan 8.290 nan 0.000 0.522 217 V N 0.008 119.787 119.914 -0.224 0.000 2.358 217 V HA 0.059 4.180 4.120 0.001 0.000 0.246 217 V C 1.469 177.378 176.094 -0.308 0.000 1.047 217 V CA 2.032 64.090 62.300 -0.404 0.000 1.035 217 V CB 0.047 31.392 31.823 -0.797 0.000 0.658 217 V HN 0.418 nan 8.190 nan 0.000 0.452 218 V N 1.637 121.417 119.914 -0.224 0.000 2.444 218 V HA 0.480 4.601 4.120 0.001 0.000 0.294 218 V C -0.784 175.319 176.094 0.015 0.000 1.022 218 V CA -0.792 61.427 62.300 -0.135 0.000 0.850 218 V CB 1.683 33.381 31.823 -0.209 0.000 0.992 218 V HN 0.430 nan 8.190 nan 0.000 0.426 219 N N 5.383 124.084 118.700 0.001 0.000 2.296 219 N HA 0.646 5.386 4.740 0.001 0.000 0.294 219 N C -1.245 174.308 175.510 0.071 0.000 1.033 219 N CA -0.424 52.646 53.050 0.034 0.000 0.839 219 N CB 3.046 41.489 38.487 -0.073 0.000 1.395 219 N HN 0.504 nan 8.380 nan 0.000 0.479 220 I N 1.397 122.057 120.570 0.150 0.000 2.436 220 I HA 0.356 4.527 4.170 0.001 0.000 0.289 220 I C -0.457 175.743 176.117 0.140 0.000 1.010 220 I CA -1.031 60.341 61.300 0.119 0.000 1.098 220 I CB 2.156 40.219 38.000 0.104 0.000 1.266 220 I HN 0.038 nan 8.210 nan 0.000 0.434 221 V N 7.645 127.628 119.914 0.114 0.000 2.325 221 V HA 0.306 4.427 4.120 0.001 0.000 0.280 221 V C -2.286 173.896 176.094 0.146 0.000 1.016 221 V CA -1.698 60.678 62.300 0.127 0.000 0.818 221 V CB 1.290 33.164 31.823 0.085 0.000 1.019 221 V HN 0.555 nan 8.190 nan 0.000 0.434 222 P HA 0.586 nan 4.420 nan 0.000 0.272 222 P C 0.366 177.794 177.300 0.213 0.000 1.223 222 P CA 0.426 63.668 63.100 0.238 0.000 0.784 222 P CB 1.191 33.099 31.700 0.346 0.000 0.923 223 G N 0.063 108.876 108.800 0.022 0.000 2.356 223 G HA2 0.274 4.234 3.960 0.001 0.000 0.288 223 G HA3 0.274 4.234 3.960 0.001 0.000 0.288 223 G C -1.601 173.083 174.900 -0.360 0.000 1.302 223 G CA -0.802 44.219 45.100 -0.131 0.000 0.887 223 G HN 0.221 nan 8.290 nan 0.000 0.521 224 F N 0.242 120.070 119.950 -0.202 0.000 2.375 224 F HA 0.602 5.130 4.527 0.001 0.000 0.317 224 F C 1.826 177.596 175.800 -0.051 0.000 1.124 224 F CA 0.756 58.664 58.000 -0.153 0.000 1.050 224 F CB 1.142 40.046 39.000 -0.159 0.000 1.314 224 F HN 0.667 nan 8.300 nan 0.000 0.511 225 G N 0.108 109.010 108.800 0.170 0.000 2.425 225 G HA2 -0.064 3.897 3.960 0.001 0.000 0.213 225 G HA3 -0.064 3.897 3.960 0.001 0.000 0.213 225 G C -1.117 173.834 174.900 0.084 0.000 1.201 225 G CA 0.413 45.581 45.100 0.113 0.000 0.799 225 G HN 0.476 nan 8.290 nan 0.000 0.534 226 P HA 0.003 nan 4.420 nan 0.000 0.231 226 P C 1.573 178.893 177.300 0.033 0.000 1.158 226 P CA 1.891 65.011 63.100 0.035 0.000 0.763 226 P CB 0.081 31.793 31.700 0.019 0.000 0.805 227 T N -3.984 110.605 114.554 0.059 0.000 3.587 227 T HA 0.329 4.680 4.350 0.001 0.000 0.221 227 T C 1.930 176.670 174.700 0.065 0.000 0.921 227 T CA 0.565 62.698 62.100 0.055 0.000 1.426 227 T CB -1.033 67.873 68.868 0.064 0.000 1.340 227 T HN -0.106 nan 8.240 nan 0.000 0.423 228 A N 1.741 124.612 122.820 0.086 0.000 1.873 228 A HA 0.279 4.599 4.320 0.001 0.000 0.215 228 A C 2.604 180.231 177.584 0.072 0.000 1.186 228 A CA 1.957 54.043 52.037 0.081 0.000 0.616 228 A CB -1.758 17.295 19.000 0.088 0.000 0.823 228 A HN 0.699 nan 8.150 nan 0.000 0.442 229 G N -0.333 108.511 108.800 0.073 0.000 2.480 229 G HA2 -0.058 3.902 3.960 0.001 0.000 0.216 229 G HA3 -0.058 3.902 3.960 0.001 0.000 0.216 229 G C 1.807 176.732 174.900 0.042 0.000 1.200 229 G CA 1.768 46.909 45.100 0.070 0.000 0.782 229 G HN 0.866 nan 8.290 nan 0.000 0.554 230 A N 1.120 123.956 122.820 0.027 0.000 1.940 230 A HA 0.191 4.512 4.320 0.001 0.000 0.219 230 A C 2.820 180.419 177.584 0.025 0.000 1.176 230 A CA 2.420 54.461 52.037 0.008 0.000 0.631 230 A CB -0.815 18.185 19.000 0.000 0.000 0.814 230 A HN 0.929 nan 8.150 nan 0.000 0.446 231 A N -0.237 122.611 122.820 0.046 0.000 1.940 231 A HA -0.100 4.221 4.320 0.001 0.000 0.219 231 A C 2.113 179.766 177.584 0.116 0.000 1.176 231 A CA 1.617 53.697 52.037 0.072 0.000 0.631 231 A CB -0.542 18.508 19.000 0.083 0.000 0.814 231 A HN 0.529 nan 8.150 nan 0.000 0.446 232 I N -0.624 119.999 120.570 0.089 0.000 2.233 232 I HA -0.183 3.987 4.170 0.001 0.000 0.243 232 I C 2.967 179.129 176.117 0.074 0.000 1.093 232 I CA 0.871 62.220 61.300 0.082 0.000 1.380 232 I CB -0.367 37.664 38.000 0.052 0.000 1.067 232 I HN 0.326 nan 8.210 nan 0.000 0.413 233 A N -0.096 122.749 122.820 0.041 0.000 1.948 233 A HA -0.200 4.120 4.320 0.001 0.000 0.220 233 A C 2.323 179.917 177.584 0.018 0.000 1.177 233 A CA 2.293 54.337 52.037 0.010 0.000 0.636 233 A CB -0.583 18.396 19.000 -0.035 0.000 0.815 233 A HN 0.401 nan 8.150 nan 0.000 0.449 234 S N -1.264 114.453 115.700 0.028 0.000 2.556 234 S HA 0.081 4.552 4.470 0.001 0.000 0.216 234 S C 0.549 175.165 174.600 0.026 0.000 0.970 234 S CA -0.523 57.683 58.200 0.011 0.000 0.912 234 S CB -0.233 62.959 63.200 -0.013 0.000 0.790 234 S HN 0.667 nan 8.310 nan 0.000 0.504 235 H N 2.707 121.770 119.070 -0.012 0.000 2.886 235 H HA 0.096 4.652 4.556 0.001 0.000 0.329 235 H C 0.827 176.150 175.328 -0.010 0.000 1.044 235 H CA 0.516 56.559 56.048 -0.008 0.000 1.456 235 H CB 0.658 30.417 29.762 -0.005 0.000 1.464 235 H HN 0.143 nan 8.280 nan 0.000 0.573 236 E N 3.069 123.237 120.200 -0.053 0.000 2.418 236 E HA -0.119 4.231 4.350 0.001 0.000 0.197 236 E C 0.543 177.235 176.600 0.155 0.000 1.026 236 E CA 0.716 57.133 56.400 0.028 0.000 0.862 236 E CB 0.273 29.940 29.700 -0.056 0.000 0.799 236 E HN 0.597 nan 8.360 nan 0.000 0.518 237 D N -0.400 120.251 120.400 0.419 0.000 2.479 237 D HA 0.049 4.689 4.640 0.001 0.000 0.218 237 D C -0.697 175.649 176.300 0.077 0.000 1.177 237 D CA -0.036 54.096 54.000 0.221 0.000 0.830 237 D CB 0.670 41.597 40.800 0.213 0.000 1.014 237 D HN -0.223 nan 8.370 nan 0.000 0.503 238 V N 1.732 121.695 119.914 0.082 0.000 2.406 238 V HA 0.149 4.269 4.120 0.001 0.000 0.272 238 V C 0.822 176.911 176.094 -0.009 0.000 1.043 238 V CA -0.360 61.928 62.300 -0.020 0.000 0.915 238 V CB 1.663 33.475 31.823 -0.019 0.000 0.988 238 V HN 0.078 nan 8.190 nan 0.000 0.466 239 D N 2.811 123.184 120.400 -0.045 0.000 2.249 239 D HA 0.037 4.677 4.640 0.001 0.000 0.205 239 D C 0.808 177.074 176.300 -0.056 0.000 0.962 239 D CA 0.952 54.924 54.000 -0.046 0.000 0.860 239 D CB 0.548 41.304 40.800 -0.072 0.000 0.955 239 D HN 0.348 nan 8.370 nan 0.000 0.505 240 K N 0.786 121.146 120.400 -0.067 0.000 2.525 240 K HA 0.353 4.673 4.320 0.001 0.000 0.254 240 K C -1.897 174.667 176.600 -0.059 0.000 0.934 240 K CA -0.598 55.636 56.287 -0.089 0.000 0.802 240 K CB 3.005 35.414 32.500 -0.151 0.000 1.295 240 K HN -0.151 nan 8.250 nan 0.000 0.433 241 V N 2.374 122.260 119.914 -0.048 0.000 2.604 241 V HA 0.834 4.955 4.120 0.001 0.000 0.305 241 V C -1.269 174.834 176.094 0.015 0.000 1.043 241 V CA -0.437 61.863 62.300 0.001 0.000 0.888 241 V CB 1.575 33.410 31.823 0.020 0.000 0.995 241 V HN 0.858 nan 8.190 nan 0.000 0.429 242 A N 6.535 129.399 122.820 0.074 0.000 2.319 242 A HA 0.827 5.148 4.320 0.001 0.000 0.310 242 A C -1.310 176.394 177.584 0.201 0.000 1.152 242 A CA -0.441 51.666 52.037 0.118 0.000 0.783 242 A CB 0.946 20.031 19.000 0.142 0.000 1.184 242 A HN 1.179 nan 8.150 nan 0.000 0.474 243 F N 2.341 122.318 119.950 0.045 0.000 2.529 243 F HA 0.679 5.206 4.527 0.001 0.000 0.320 243 F C -0.360 175.474 175.800 0.057 0.000 1.118 243 F CA -0.040 57.986 58.000 0.043 0.000 0.915 243 F CB 2.164 41.179 39.000 0.026 0.000 1.161 243 F HN 0.411 nan 8.300 nan 0.000 0.445 244 T N 4.728 118.836 114.554 -0.743 0.000 2.807 244 T HA 0.830 5.180 4.350 0.001 0.000 0.279 244 T C -0.100 173.908 174.700 -1.152 0.000 0.993 244 T CA -0.227 61.474 62.100 -0.665 0.000 0.970 244 T CB 1.199 69.912 68.868 -0.258 0.000 0.950 244 T HN 1.135 nan 8.240 nan 0.000 0.441 245 G N 1.596 109.913 108.800 -0.806 0.000 2.333 245 G HA2 0.408 4.369 3.960 0.001 0.000 0.288 245 G HA3 0.408 4.369 3.960 0.001 0.000 0.288 245 G C -0.468 174.384 174.900 -0.081 0.000 1.286 245 G CA -0.381 44.410 45.100 -0.515 0.000 0.865 245 G HN 0.966 nan 8.290 nan 0.000 0.506 246 S N -0.769 114.964 115.700 0.055 0.000 2.566 246 S HA 0.332 4.803 4.470 0.001 0.000 0.280 246 S C 1.386 176.113 174.600 0.212 0.000 1.343 246 S CA 1.228 59.480 58.200 0.088 0.000 1.036 246 S CB 1.149 64.389 63.200 0.068 0.000 0.866 246 S HN 0.951 nan 8.310 nan 0.000 0.526 247 T N 0.957 115.620 114.554 0.181 0.000 2.833 247 T HA -0.099 4.252 4.350 0.001 0.000 0.269 247 T C 1.631 176.392 174.700 0.101 0.000 1.054 247 T CA 1.572 63.771 62.100 0.164 0.000 1.135 247 T CB -0.439 68.523 68.868 0.157 0.000 0.869 247 T HN 0.844 nan 8.240 nan 0.000 0.466 248 E N 0.386 120.639 120.200 0.089 0.000 2.150 248 E HA -0.123 4.228 4.350 0.001 0.000 0.193 248 E C 1.731 178.335 176.600 0.008 0.000 0.985 248 E CA 0.848 57.275 56.400 0.044 0.000 0.814 248 E CB 0.043 29.771 29.700 0.047 0.000 0.752 248 E HN 0.329 nan 8.360 nan 0.000 0.466 249 I N 0.457 121.043 120.570 0.028 0.000 2.716 249 I HA -0.023 4.147 4.170 0.001 0.000 0.259 249 I C 2.465 178.377 176.117 -0.342 0.000 1.172 249 I CA 1.017 62.243 61.300 -0.123 0.000 1.478 249 I CB -1.539 36.437 38.000 -0.040 0.000 1.104 249 I HN 0.143 nan 8.210 nan 0.000 0.439 250 G N 0.932 109.656 108.800 -0.126 0.000 2.432 250 G HA2 -0.217 3.744 3.960 0.001 0.000 0.219 250 G HA3 -0.217 3.744 3.960 0.001 0.000 0.219 250 G C 1.916 176.754 174.900 -0.105 0.000 1.135 250 G CA 0.229 45.266 45.100 -0.105 0.000 0.767 250 G HN 0.286 nan 8.290 nan 0.000 0.550 251 R N -0.329 120.131 120.500 -0.067 0.000 2.081 251 R HA -0.016 4.324 4.340 0.001 0.000 0.235 251 R C 2.667 178.914 176.300 -0.089 0.000 1.131 251 R CA 1.095 57.159 56.100 -0.061 0.000 0.960 251 R CB -0.477 29.799 30.300 -0.040 0.000 0.856 251 R HN 0.298 nan 8.270 nan 0.000 0.436 252 V N 1.459 121.302 119.914 -0.119 0.000 2.343 252 V HA -0.250 3.871 4.120 0.001 0.000 0.247 252 V C 2.302 178.304 176.094 -0.153 0.000 1.051 252 V CA 1.440 63.664 62.300 -0.126 0.000 1.036 252 V CB -0.370 31.372 31.823 -0.136 0.000 0.654 252 V HN 0.262 nan 8.190 nan 0.000 0.451 253 I N -0.213 120.215 120.570 -0.236 0.000 2.179 253 I HA -0.268 3.903 4.170 0.001 0.000 0.242 253 I C 2.522 178.568 176.117 -0.119 0.000 1.088 253 I CA 1.789 62.955 61.300 -0.224 0.000 1.357 253 I CB -1.190 36.596 38.000 -0.356 0.000 1.051 253 I HN 0.434 nan 8.210 nan 0.000 0.409 254 Q N 0.602 120.345 119.800 -0.096 0.000 2.084 254 Q HA -0.156 4.185 4.340 0.001 0.000 0.202 254 Q C 2.366 178.334 176.000 -0.053 0.000 0.978 254 Q CA 1.680 57.449 55.803 -0.058 0.000 0.844 254 Q CB 0.162 28.874 28.738 -0.044 0.000 0.898 254 Q HN 0.309 nan 8.270 nan 0.000 0.426 255 V N 0.769 120.648 119.914 -0.058 0.000 2.343 255 V HA -0.272 3.849 4.120 0.001 0.000 0.247 255 V C 2.322 178.388 176.094 -0.046 0.000 1.051 255 V CA 1.718 63.989 62.300 -0.048 0.000 1.036 255 V CB -1.034 30.760 31.823 -0.048 0.000 0.654 255 V HN 0.511 nan 8.190 nan 0.000 0.451 256 A N 0.066 122.853 122.820 -0.054 0.000 1.940 256 A HA -0.161 4.160 4.320 0.001 0.000 0.219 256 A C 2.401 179.964 177.584 -0.034 0.000 1.176 256 A CA 2.164 54.173 52.037 -0.045 0.000 0.631 256 A CB -0.725 18.243 19.000 -0.053 0.000 0.814 256 A HN 0.587 nan 8.150 nan 0.000 0.446 257 A N -0.722 122.077 122.820 -0.036 0.000 1.969 257 A HA 0.182 4.503 4.320 0.001 0.000 0.218 257 A C 2.326 179.895 177.584 -0.025 0.000 1.169 257 A CA 1.753 53.774 52.037 -0.027 0.000 0.635 257 A CB -1.119 17.863 19.000 -0.029 0.000 0.810 257 A HN 0.689 nan 8.150 nan 0.000 0.445 258 G N -0.920 107.862 108.800 -0.029 0.000 2.403 258 G HA2 -0.038 3.922 3.960 0.001 0.000 0.216 258 G HA3 -0.038 3.922 3.960 0.001 0.000 0.216 258 G C 1.680 176.565 174.900 -0.025 0.000 1.154 258 G CA 1.150 46.234 45.100 -0.027 0.000 0.784 258 G HN 0.499 nan 8.290 nan 0.000 0.538 259 S N 0.605 116.289 115.700 -0.026 0.000 2.461 259 S HA -0.012 4.459 4.470 0.001 0.000 0.228 259 S C 2.435 177.021 174.600 -0.024 0.000 1.005 259 S CA 1.104 59.289 58.200 -0.025 0.000 0.942 259 S CB 0.021 63.205 63.200 -0.027 0.000 0.776 259 S HN 0.608 nan 8.310 nan 0.000 0.514 260 S N 3.389 119.076 115.700 -0.022 0.000 2.477 260 S HA 0.082 4.553 4.470 0.001 0.000 0.162 260 S C 1.026 175.617 174.600 -0.014 0.000 0.909 260 S CA 0.313 58.501 58.200 -0.020 0.000 1.147 260 S CB -0.525 62.666 63.200 -0.016 0.000 0.740 260 S HN 0.529 nan 8.310 nan 0.000 0.478 261 N N 1.073 119.769 118.700 -0.007 0.000 2.291 261 N HA 0.248 4.989 4.740 0.001 0.000 0.244 261 N C 0.015 175.521 175.510 -0.006 0.000 1.216 261 N CA -0.160 52.888 53.050 -0.003 0.000 0.879 261 N CB -0.363 38.130 38.487 0.010 0.000 1.167 261 N HN 0.577 nan 8.380 nan 0.000 0.515 262 L N 0.136 121.352 121.223 -0.013 0.000 3.717 262 L HA -0.292 4.049 4.340 0.001 0.000 0.414 262 L C -0.028 176.830 176.870 -0.020 0.000 1.228 262 L CA 0.633 55.462 54.840 -0.018 0.000 0.918 262 L CB -1.487 40.561 42.059 -0.017 0.000 1.865 262 L HN 0.440 nan 8.230 nan 0.000 0.922 263 K N -0.237 120.153 120.400 -0.018 0.000 2.380 263 K HA 0.413 4.734 4.320 0.001 0.000 0.267 263 K C 0.304 176.882 176.600 -0.038 0.000 0.990 263 K CA -0.649 55.623 56.287 -0.025 0.000 0.946 263 K CB 0.449 32.938 32.500 -0.018 0.000 0.937 263 K HN 0.021 nan 8.250 nan 0.000 0.491 264 R N 0.962 121.430 120.500 -0.053 0.000 2.491 264 R HA 0.217 4.558 4.340 0.001 0.000 0.283 264 R C -0.667 175.588 176.300 -0.075 0.000 1.072 264 R CA -0.312 55.746 56.100 -0.069 0.000 1.048 264 R CB 1.017 31.261 30.300 -0.093 0.000 0.983 264 R HN 0.408 nan 8.270 nan 0.000 0.450 265 V N 2.384 122.260 119.914 -0.064 0.000 2.604 265 V HA 0.548 4.668 4.120 0.001 0.000 0.305 265 V C -0.299 175.769 176.094 -0.043 0.000 1.043 265 V CA -0.685 61.588 62.300 -0.045 0.000 0.888 265 V CB 2.176 33.984 31.823 -0.025 0.000 0.995 265 V HN 0.993 nan 8.190 nan 0.000 0.429 266 T N 2.950 117.490 114.554 -0.024 0.000 2.893 266 T HA 0.875 5.226 4.350 0.001 0.000 0.291 266 T C -1.010 173.738 174.700 0.079 0.000 1.028 266 T CA -0.756 61.347 62.100 0.006 0.000 0.995 266 T CB 1.802 70.656 68.868 -0.022 0.000 1.051 266 T HN 0.368 nan 8.240 nan 0.000 0.470 267 L N 1.453 122.734 121.223 0.097 0.000 2.436 267 L HA 0.558 4.899 4.340 0.001 0.000 0.268 267 L C -0.531 176.422 176.870 0.139 0.000 0.974 267 L CA -0.903 54.036 54.840 0.165 0.000 0.826 267 L CB 2.393 44.558 42.059 0.177 0.000 1.291 267 L HN 0.653 nan 8.230 nan 0.000 0.406 268 E N 4.824 125.106 120.200 0.136 0.000 2.141 268 E HA 0.531 4.881 4.350 0.001 0.000 0.259 268 E C -0.784 175.879 176.600 0.104 0.000 0.883 268 E CA -0.249 56.234 56.400 0.140 0.000 0.744 268 E CB 2.347 32.165 29.700 0.196 0.000 1.150 268 E HN 0.469 nan 8.360 nan 0.000 0.420 269 L N 0.295 121.603 121.223 0.142 0.000 2.664 269 L HA 0.626 4.967 4.340 0.001 0.000 0.253 269 L C 1.214 178.180 176.870 0.159 0.000 1.293 269 L CA -1.074 53.857 54.840 0.152 0.000 1.280 269 L CB 0.147 42.325 42.059 0.198 0.000 1.993 269 L HN 0.415 nan 8.230 nan 0.000 0.577 270 G N -1.590 107.333 108.800 0.205 0.000 2.563 270 G HA2 0.560 4.521 3.960 0.001 0.000 0.283 270 G HA3 0.560 4.521 3.960 0.001 0.000 0.283 270 G C -0.637 174.247 174.900 -0.027 0.000 1.309 270 G CA 0.139 45.300 45.100 0.101 0.000 1.022 270 G HN 0.793 nan 8.290 nan 0.000 0.501 271 G N -1.832 106.662 108.800 -0.510 0.000 2.660 271 G HA2 0.499 4.459 3.960 0.001 0.000 0.290 271 G HA3 0.499 4.459 3.960 0.001 0.000 0.290 271 G C -1.268 173.175 174.900 -0.761 0.000 1.432 271 G CA -0.604 44.142 45.100 -0.591 0.000 0.807 271 G HN 0.590 nan 8.290 nan 0.000 0.485 272 K N 0.516 120.701 120.400 -0.359 0.000 3.301 272 K HA 0.419 4.740 4.320 0.001 0.000 0.170 272 K C 0.015 176.633 176.600 0.030 0.000 1.061 272 K CA -0.312 55.892 56.287 -0.138 0.000 0.807 272 K CB 0.197 32.677 32.500 -0.034 0.000 0.889 272 K HN 0.420 nan 8.250 nan 0.000 0.564 273 S N 3.052 118.794 115.700 0.070 0.000 2.546 273 S HA 0.136 4.607 4.470 0.001 0.000 0.290 273 S C -2.415 172.305 174.600 0.200 0.000 1.290 273 S CA -0.504 57.792 58.200 0.160 0.000 1.069 273 S CB 0.305 63.669 63.200 0.273 0.000 0.846 273 S HN 0.321 nan 8.310 nan 0.000 0.495 274 P HA 0.249 nan 4.420 nan 0.000 0.287 274 P C -0.855 176.646 177.300 0.334 0.000 1.281 274 P CA -0.516 62.768 63.100 0.307 0.000 0.781 274 P CB 0.312 32.167 31.700 0.258 0.000 0.903 275 N N 3.601 122.502 118.700 0.335 0.000 2.476 275 N HA 0.377 5.117 4.740 0.001 0.000 0.257 275 N C -0.970 174.730 175.510 0.316 0.000 0.970 275 N CA -0.600 52.663 53.050 0.354 0.000 0.938 275 N CB 0.481 39.093 38.487 0.209 0.000 1.144 275 N HN 0.278 nan 8.380 nan 0.000 0.500 276 I N 5.017 125.783 120.570 0.327 0.000 2.330 276 I HA 0.310 4.480 4.170 0.001 0.000 0.289 276 I C -0.221 176.091 176.117 0.326 0.000 1.001 276 I CA -0.711 60.750 61.300 0.267 0.000 1.193 276 I CB 1.316 39.366 38.000 0.082 0.000 1.345 276 I HN 0.382 nan 8.210 nan 0.000 0.461 277 I N 6.777 127.514 120.570 0.278 0.000 2.330 277 I HA 0.320 4.491 4.170 0.001 0.000 0.286 277 I C 0.100 176.373 176.117 0.260 0.000 1.025 277 I CA -0.499 60.916 61.300 0.192 0.000 1.197 277 I CB 0.849 38.744 38.000 -0.175 0.000 1.358 277 I HN 0.464 nan 8.210 nan 0.000 0.467 278 M N 3.762 123.535 119.600 0.287 0.000 2.228 278 M HA 0.121 4.602 4.480 0.001 0.000 0.326 278 M C 1.720 178.099 176.300 0.132 0.000 1.122 278 M CA 0.043 55.485 55.300 0.236 0.000 1.161 278 M CB 0.731 33.462 32.600 0.218 0.000 1.437 278 M HN 0.678 nan 8.290 nan 0.000 0.465 279 S N 0.504 116.242 115.700 0.063 0.000 2.419 279 S HA -0.155 4.316 4.470 0.001 0.000 0.235 279 S C 0.790 175.436 174.600 0.077 0.000 1.019 279 S CA 1.390 59.615 58.200 0.041 0.000 0.982 279 S CB -0.515 62.686 63.200 0.002 0.000 0.789 279 S HN 0.760 nan 8.310 nan 0.000 0.490 280 D N 1.647 122.104 120.400 0.094 0.000 2.395 280 D HA 0.422 5.062 4.640 0.001 0.000 0.226 280 D C 0.365 176.747 176.300 0.136 0.000 1.146 280 D CA -0.085 53.974 54.000 0.098 0.000 0.830 280 D CB -0.179 40.668 40.800 0.079 0.000 0.958 280 D HN 0.487 nan 8.370 nan 0.000 0.501 281 A N 0.297 123.222 122.820 0.176 0.000 2.304 281 A HA 0.289 4.610 4.320 0.001 0.000 0.271 281 A C -0.178 177.546 177.584 0.234 0.000 1.091 281 A CA -0.598 51.588 52.037 0.248 0.000 0.812 281 A CB 0.347 19.541 19.000 0.324 0.000 1.056 281 A HN 0.172 nan 8.150 nan 0.000 0.489 282 D N 1.444 122.014 120.400 0.282 0.000 2.363 282 D HA 0.156 4.796 4.640 0.001 0.000 0.263 282 D C 1.085 177.553 176.300 0.280 0.000 1.258 282 D CA -0.024 54.130 54.000 0.257 0.000 0.907 282 D CB 0.324 41.290 40.800 0.277 0.000 1.107 282 D HN 0.437 nan 8.370 nan 0.000 0.495 283 M N 3.571 123.293 119.600 0.204 0.000 2.065 283 M HA -0.165 4.315 4.480 0.001 0.000 0.259 283 M C 1.077 177.467 176.300 0.151 0.000 1.069 283 M CA 1.822 57.234 55.300 0.187 0.000 1.110 283 M CB -0.221 32.459 32.600 0.133 0.000 1.328 283 M HN 0.422 nan 8.290 nan 0.000 0.405 284 D N -0.791 119.693 120.400 0.142 0.000 2.104 284 D HA -0.236 4.404 4.640 0.001 0.000 0.194 284 D C 1.798 178.211 176.300 0.189 0.000 0.994 284 D CA 1.547 55.618 54.000 0.118 0.000 0.830 284 D CB -0.720 40.149 40.800 0.115 0.000 0.959 284 D HN 0.657 nan 8.370 nan 0.000 0.452 285 W N 1.600 122.943 121.300 0.071 0.000 2.379 285 W HA -0.179 4.481 4.660 0.001 0.000 0.307 285 W C 2.164 178.747 176.519 0.106 0.000 1.200 285 W CA 1.492 58.904 57.345 0.113 0.000 1.297 285 W CB -0.083 29.483 29.460 0.177 0.000 1.140 285 W HN -0.015 nan 8.180 nan 0.000 0.507 286 A N 0.482 123.382 122.820 0.134 0.000 1.908 286 A HA -0.223 4.097 4.320 0.001 0.000 0.218 286 A C 2.023 179.512 177.584 -0.157 0.000 1.181 286 A CA 2.416 54.338 52.037 -0.192 0.000 0.627 286 A CB -1.215 17.847 19.000 0.103 0.000 0.818 286 A HN 0.170 nan 8.150 nan 0.000 0.445 287 V N -0.160 119.693 119.914 -0.101 0.000 2.343 287 V HA -0.223 3.898 4.120 0.001 0.000 0.247 287 V C 2.613 178.571 176.094 -0.226 0.000 1.051 287 V CA 2.431 64.519 62.300 -0.354 0.000 1.036 287 V CB -0.658 30.899 31.823 -0.443 0.000 0.654 287 V HN 0.717 nan 8.190 nan 0.000 0.451 288 E N -0.177 119.913 120.200 -0.184 0.000 2.107 288 E HA -0.179 4.171 4.350 0.001 0.000 0.191 288 E C 2.269 178.777 176.600 -0.153 0.000 0.982 288 E CA 1.155 57.467 56.400 -0.147 0.000 0.809 288 E CB -0.184 29.442 29.700 -0.123 0.000 0.756 288 E HN 0.502 nan 8.360 nan 0.000 0.459 289 Q N -0.372 119.209 119.800 -0.365 0.000 2.123 289 Q HA 0.019 4.360 4.340 0.001 0.000 0.199 289 Q C 2.109 178.033 176.000 -0.127 0.000 0.966 289 Q CA 1.274 56.904 55.803 -0.287 0.000 0.845 289 Q CB -0.283 28.183 28.738 -0.452 0.000 0.907 289 Q HN 0.379 nan 8.270 nan 0.000 0.439 290 A N 0.125 122.828 122.820 -0.195 0.000 1.969 290 A HA -0.216 4.104 4.320 0.001 0.000 0.218 290 A C 1.885 179.461 177.584 -0.013 0.000 1.169 290 A CA 1.816 53.792 52.037 -0.101 0.000 0.635 290 A CB -0.648 18.423 19.000 0.117 0.000 0.810 290 A HN 0.456 nan 8.150 nan 0.000 0.445 291 H N -1.526 117.541 119.070 -0.005 0.000 2.276 291 H HA -0.118 4.439 4.556 0.001 0.000 0.301 291 H C 1.747 177.211 175.328 0.225 0.000 1.073 291 H CA 2.094 58.239 56.048 0.161 0.000 1.311 291 H CB -0.476 29.340 29.762 0.090 0.000 1.379 291 H HN 0.434 nan 8.280 nan 0.000 0.494 292 F N 1.025 121.028 119.950 0.088 0.000 2.087 292 F HA -0.300 4.228 4.527 0.001 0.000 0.299 292 F C 2.487 178.247 175.800 -0.066 0.000 1.100 292 F CA 1.885 59.905 58.000 0.034 0.000 1.226 292 F CB -0.686 38.297 39.000 -0.029 0.000 0.983 292 F HN 0.303 nan 8.300 nan 0.000 0.479 293 A N -0.040 122.577 122.820 -0.338 0.000 2.024 293 A HA -0.160 4.160 4.320 0.001 0.000 0.220 293 A C 2.087 179.328 177.584 -0.572 0.000 1.164 293 A CA 1.903 53.511 52.037 -0.716 0.000 0.643 293 A CB -0.913 17.416 19.000 -1.118 0.000 0.806 293 A HN 0.625 nan 8.150 nan 0.000 0.451 294 L N -3.358 117.595 121.223 -0.450 0.000 2.388 294 L HA 0.334 4.675 4.340 0.001 0.000 0.209 294 L C 1.785 178.327 176.870 -0.547 0.000 1.061 294 L CA 0.842 55.371 54.840 -0.519 0.000 0.834 294 L CB 0.082 41.746 42.059 -0.657 0.000 1.029 294 L HN 0.270 nan 8.230 nan 0.000 0.473 295 F N -1.113 118.647 119.950 -0.316 0.000 2.754 295 F HA 0.108 4.635 4.527 0.001 0.000 0.297 295 F C 0.940 176.633 175.800 -0.177 0.000 1.122 295 F CA -0.276 57.554 58.000 -0.283 0.000 1.400 295 F CB -0.042 38.682 39.000 -0.460 0.000 1.117 295 F HN -0.077 nan 8.300 nan 0.000 0.587 296 F N 1.939 121.774 119.950 -0.192 0.000 2.602 296 F HA -0.028 4.500 4.527 0.002 0.000 0.367 296 F C 1.250 176.972 175.800 -0.130 0.000 1.126 296 F CA -0.063 57.834 58.000 -0.171 0.000 1.321 296 F CB 0.198 38.948 39.000 -0.416 0.000 1.094 296 F HN 0.090 nan 8.300 nan 0.000 0.594 297 N N 3.327 121.414 118.700 -1.021 0.000 2.725 297 N HA -0.301 4.439 4.740 0.001 0.000 0.251 297 N C -0.054 175.192 175.510 -0.441 0.000 1.031 297 N CA 1.353 53.905 53.050 -0.829 0.000 0.720 297 N CB -1.029 36.922 38.487 -0.892 0.000 0.930 297 N HN 0.752 nan 8.380 nan 0.000 0.543 298 Q N -1.987 117.651 119.800 -0.270 0.000 2.461 298 Q HA -0.188 4.153 4.340 0.001 0.000 0.264 298 Q C 1.222 177.129 176.000 -0.155 0.000 1.085 298 Q CA 2.201 57.922 55.803 -0.136 0.000 1.006 298 Q CB -1.821 26.842 28.738 -0.124 0.000 1.437 298 Q HN 1.158 nan 8.270 nan 0.000 0.514 299 G N -1.153 107.518 108.800 -0.216 0.000 2.168 299 G HA2 -0.390 3.571 3.960 0.001 0.000 0.263 299 G HA3 -0.390 3.571 3.960 0.001 0.000 0.263 299 G C 0.089 174.686 174.900 -0.505 0.000 0.977 299 G CA 0.423 45.347 45.100 -0.292 0.000 0.659 299 G HN 0.462 nan 8.290 nan 0.000 0.533 300 Q N 0.032 119.472 119.800 -0.600 0.000 3.150 300 Q HA 0.491 4.832 4.340 0.001 0.000 0.297 300 Q C -0.256 175.126 176.000 -1.030 0.000 1.382 300 Q CA -0.134 54.984 55.803 -1.141 0.000 1.059 300 Q CB 0.380 28.844 28.738 -0.457 0.000 1.559 300 Q HN 0.405 nan 8.270 nan 0.000 0.548 301 C N -0.536 118.259 119.300 -0.842 0.000 2.535 301 C HA 0.229 4.690 4.460 0.001 0.000 0.319 301 C C 1.643 176.682 174.990 0.083 0.000 1.171 301 C CA -0.946 58.001 59.018 -0.119 0.000 1.394 301 C CB 0.938 28.769 27.740 0.151 0.000 1.990 301 C HN 0.805 nan 8.230 nan 0.000 0.466 302 C N 0.918 120.446 119.300 0.381 0.000 2.413 302 C HA -0.138 4.323 4.460 0.001 0.000 0.277 302 C C 2.281 177.462 174.990 0.319 0.000 1.265 302 C CA 1.425 60.695 59.018 0.420 0.000 1.752 302 C CB -1.404 26.545 27.740 0.348 0.000 1.998 302 C HN 1.006 nan 8.230 nan 0.000 0.489 303 C N 1.019 120.571 119.300 0.421 0.000 2.480 303 C HA 0.673 5.133 4.460 0.001 0.000 0.317 303 C C 1.243 176.511 174.990 0.463 0.000 1.300 303 C CA -1.179 58.127 59.018 0.480 0.000 1.706 303 C CB -2.476 25.733 27.740 0.781 0.000 1.840 303 C HN 0.523 nan 8.230 nan 0.000 0.596 304 A N 1.049 124.016 122.820 0.244 0.000 2.561 304 A HA 0.443 4.764 4.320 0.001 0.000 0.234 304 A C 1.094 178.729 177.584 0.084 0.000 1.055 304 A CA 0.807 52.895 52.037 0.085 0.000 0.756 304 A CB -0.100 18.845 19.000 -0.091 0.000 0.986 304 A HN 1.133 nan 8.150 nan 0.000 0.505 305 G N 1.293 110.013 108.800 -0.135 0.000 2.865 305 G HA2 0.366 4.327 3.960 0.001 0.000 0.292 305 G HA3 0.366 4.327 3.960 0.001 0.000 0.292 305 G C 0.820 175.635 174.900 -0.142 0.000 0.800 305 G CA 0.393 45.410 45.100 -0.137 0.000 1.838 305 G HN 1.191 nan 8.290 nan 0.000 0.535 306 S N 1.136 116.791 115.700 -0.074 0.000 2.556 306 S HA 0.228 4.699 4.470 0.001 0.000 0.216 306 S C 0.876 175.414 174.600 -0.103 0.000 0.970 306 S CA -0.461 57.667 58.200 -0.121 0.000 0.912 306 S CB 0.478 63.607 63.200 -0.119 0.000 0.790 306 S HN 0.412 nan 8.310 nan 0.000 0.504 307 R N 1.834 122.293 120.500 -0.069 0.000 2.407 307 R HA 0.326 4.667 4.340 0.001 0.000 0.298 307 R C -1.232 174.975 176.300 -0.155 0.000 1.166 307 R CA -0.135 55.869 56.100 -0.160 0.000 1.006 307 R CB 1.355 31.590 30.300 -0.108 0.000 1.145 307 R HN 0.129 nan 8.270 nan 0.000 0.538 308 T N 3.954 118.404 114.554 -0.173 0.000 2.782 308 T HA 0.260 4.611 4.350 0.001 0.000 0.298 308 T C -0.165 174.459 174.700 -0.127 0.000 0.944 308 T CA -0.049 62.005 62.100 -0.077 0.000 1.001 308 T CB -0.084 68.777 68.868 -0.011 0.000 0.932 308 T HN 0.187 nan 8.240 nan 0.000 0.524 309 F N 2.667 122.655 119.950 0.064 0.000 2.420 309 F HA 0.459 4.987 4.527 0.001 0.000 0.352 309 F C 0.318 176.263 175.800 0.241 0.000 1.108 309 F CA -0.701 57.403 58.000 0.174 0.000 1.162 309 F CB 0.966 39.994 39.000 0.046 0.000 1.118 309 F HN 0.194 nan 8.300 nan 0.000 0.510 310 V N 3.817 123.977 119.914 0.410 0.000 2.588 310 V HA 0.256 4.377 4.120 0.001 0.000 0.304 310 V C -0.154 175.875 176.094 -0.109 0.000 1.042 310 V CA -1.122 61.230 62.300 0.086 0.000 0.877 310 V CB 1.530 33.241 31.823 -0.186 0.000 0.996 310 V HN 0.577 nan 8.190 nan 0.000 0.425 311 Q N 3.043 122.558 119.800 -0.476 0.000 2.330 311 Q HA 0.024 4.365 4.340 0.001 0.000 0.279 311 Q C 1.391 177.181 176.000 -0.349 0.000 1.024 311 Q CA 0.322 55.580 55.803 -0.908 0.000 0.900 311 Q CB 1.167 29.525 28.738 -0.634 0.000 1.221 311 Q HN 1.017 nan 8.270 nan 0.000 0.396 312 E N 2.717 122.720 120.200 -0.328 0.000 2.160 312 E HA -0.249 4.101 4.350 0.001 0.000 0.195 312 E C 0.330 176.913 176.600 -0.028 0.000 0.991 312 E CA 1.476 57.793 56.400 -0.138 0.000 0.810 312 E CB 0.084 29.689 29.700 -0.157 0.000 0.742 312 E HN 0.549 nan 8.360 nan 0.000 0.466 313 D N 1.466 121.832 120.400 -0.057 0.000 2.178 313 D HA -0.117 4.524 4.640 0.001 0.000 0.201 313 D C 2.049 178.372 176.300 0.039 0.000 0.980 313 D CA 1.441 55.437 54.000 -0.007 0.000 0.842 313 D CB -0.078 40.710 40.800 -0.020 0.000 0.948 313 D HN 0.592 nan 8.370 nan 0.000 0.472 314 I N -3.023 117.576 120.570 0.048 0.000 3.976 314 I HA 0.166 4.337 4.170 0.001 0.000 0.337 314 I C 1.813 178.019 176.117 0.148 0.000 1.359 314 I CA -0.536 60.819 61.300 0.092 0.000 1.098 314 I CB -0.151 37.905 38.000 0.093 0.000 1.027 314 I HN -0.224 nan 8.210 nan 0.000 0.394 315 Y N 2.694 123.005 120.300 0.019 0.000 2.070 315 Y HA -0.282 4.268 4.550 0.001 0.000 0.280 315 Y C 2.037 178.001 175.900 0.107 0.000 1.148 315 Y CA 2.269 60.399 58.100 0.049 0.000 1.125 315 Y CB -0.062 38.400 38.460 0.003 0.000 0.975 315 Y HN 0.191 nan 8.280 nan 0.000 0.492 316 D N 0.129 120.638 120.400 0.183 0.000 2.116 316 D HA -0.241 4.399 4.640 0.001 0.000 0.193 316 D C 2.072 178.373 176.300 0.002 0.000 0.998 316 D CA 1.886 55.930 54.000 0.073 0.000 0.836 316 D CB -0.493 40.379 40.800 0.119 0.000 0.951 316 D HN 0.629 nan 8.370 nan 0.000 0.449 317 E N -0.731 119.495 120.200 0.043 0.000 2.072 317 E HA -0.177 4.173 4.350 0.001 0.000 0.191 317 E C 2.045 178.652 176.600 0.012 0.000 0.985 317 E CA 0.485 56.901 56.400 0.027 0.000 0.801 317 E CB -0.243 29.488 29.700 0.051 0.000 0.750 317 E HN 0.241 nan 8.360 nan 0.000 0.452 318 F N 0.736 120.630 119.950 -0.094 0.000 2.095 318 F HA -0.228 4.300 4.527 0.001 0.000 0.298 318 F C 2.125 177.827 175.800 -0.164 0.000 1.104 318 F CA 1.462 59.394 58.000 -0.114 0.000 1.232 318 F CB -0.278 38.658 39.000 -0.107 0.000 0.987 318 F HN -0.103 nan 8.300 nan 0.000 0.475 319 V N 0.306 120.179 119.914 -0.068 0.000 2.295 319 V HA -0.327 3.794 4.120 0.001 0.000 0.246 319 V C 2.356 178.360 176.094 -0.150 0.000 1.049 319 V CA 2.325 64.528 62.300 -0.162 0.000 1.024 319 V CB -0.716 30.910 31.823 -0.328 0.000 0.648 319 V HN 0.422 nan 8.190 nan 0.000 0.447 320 E N 0.018 120.144 120.200 -0.124 0.000 2.058 320 E HA -0.264 4.087 4.350 0.001 0.000 0.194 320 E C 2.470 178.989 176.600 -0.135 0.000 0.997 320 E CA 1.512 57.852 56.400 -0.101 0.000 0.801 320 E CB -0.062 29.598 29.700 -0.066 0.000 0.746 320 E HN 0.514 nan 8.360 nan 0.000 0.450 321 R N -0.122 120.269 120.500 -0.182 0.000 2.096 321 R HA -0.068 4.273 4.340 0.001 0.000 0.235 321 R C 2.609 178.748 176.300 -0.269 0.000 1.127 321 R CA 1.457 57.423 56.100 -0.223 0.000 0.968 321 R CB -0.123 30.018 30.300 -0.265 0.000 0.861 321 R HN 0.068 nan 8.270 nan 0.000 0.440 322 S N 0.203 115.704 115.700 -0.332 0.000 2.368 322 S HA -0.082 4.389 4.470 0.001 0.000 0.224 322 S C 2.108 176.640 174.600 -0.114 0.000 1.029 322 S CA 1.077 59.126 58.200 -0.251 0.000 0.988 322 S CB -0.098 62.951 63.200 -0.252 0.000 0.838 322 S HN 0.058 nan 8.310 nan 0.000 0.462 323 V N 2.225 122.076 119.914 -0.104 0.000 2.287 323 V HA -0.232 3.889 4.120 0.001 0.000 0.248 323 V C 2.681 178.716 176.094 -0.097 0.000 1.053 323 V CA 1.812 64.067 62.300 -0.075 0.000 1.027 323 V CB -1.233 30.548 31.823 -0.070 0.000 0.646 323 V HN 0.545 nan 8.190 nan 0.000 0.447 324 A N 0.176 122.926 122.820 -0.116 0.000 1.902 324 A HA -0.255 4.066 4.320 0.001 0.000 0.217 324 A C 2.299 179.788 177.584 -0.158 0.000 1.181 324 A CA 2.130 54.095 52.037 -0.121 0.000 0.623 324 A CB -0.530 18.401 19.000 -0.114 0.000 0.818 324 A HN 0.448 nan 8.150 nan 0.000 0.443 325 R N 0.190 120.566 120.500 -0.205 0.000 2.115 325 R HA 0.052 4.392 4.340 0.001 0.000 0.230 325 R C 2.043 178.128 176.300 -0.359 0.000 1.111 325 R CA 1.756 57.661 56.100 -0.326 0.000 0.976 325 R CB -0.861 29.189 30.300 -0.416 0.000 0.870 325 R HN 0.392 nan 8.270 nan 0.000 0.445 326 A N 0.617 123.320 122.820 -0.196 0.000 1.897 326 A HA -0.079 4.242 4.320 0.001 0.000 0.215 326 A C 1.916 179.398 177.584 -0.170 0.000 1.181 326 A CA 1.389 53.328 52.037 -0.164 0.000 0.620 326 A CB -0.333 18.620 19.000 -0.078 0.000 0.821 326 A HN 0.336 nan 8.150 nan 0.000 0.443 327 K N 0.507 120.828 120.400 -0.131 0.000 2.209 327 K HA -0.099 4.222 4.320 0.001 0.000 0.204 327 K C 1.966 178.502 176.600 -0.108 0.000 1.048 327 K CA 1.492 57.715 56.287 -0.106 0.000 0.940 327 K CB -0.136 32.312 32.500 -0.086 0.000 0.729 327 K HN 0.654 nan 8.250 nan 0.000 0.451 328 S N 0.365 115.986 115.700 -0.132 0.000 2.548 328 S HA 0.021 4.492 4.470 0.001 0.000 0.215 328 S C 0.756 175.286 174.600 -0.116 0.000 0.976 328 S CA -0.394 57.735 58.200 -0.118 0.000 0.908 328 S CB 0.015 63.139 63.200 -0.127 0.000 0.781 328 S HN 0.127 nan 8.310 nan 0.000 0.519 329 R N 1.882 122.300 120.500 -0.136 0.000 2.421 329 R HA 0.227 4.568 4.340 0.001 0.000 0.305 329 R C -0.993 175.269 176.300 -0.065 0.000 1.039 329 R CA -0.112 55.928 56.100 -0.101 0.000 1.003 329 R CB 0.285 30.507 30.300 -0.130 0.000 0.959 329 R HN 0.169 nan 8.270 nan 0.000 0.427 330 V N 6.500 126.393 119.914 -0.035 0.000 2.415 330 V HA 0.088 4.209 4.120 0.001 0.000 0.267 330 V C 0.096 176.189 176.094 -0.002 0.000 1.042 330 V CA -0.225 62.062 62.300 -0.023 0.000 1.000 330 V CB 1.102 32.917 31.823 -0.013 0.000 1.015 330 V HN 0.468 nan 8.190 nan 0.000 0.478 331 V N 5.214 125.122 119.914 -0.009 0.000 2.427 331 V HA 0.982 5.102 4.120 0.001 0.000 0.286 331 V C 0.693 176.755 176.094 -0.054 0.000 1.034 331 V CA 0.592 62.908 62.300 0.027 0.000 0.893 331 V CB 0.983 32.837 31.823 0.051 0.000 0.982 331 V HN 1.099 nan 8.190 nan 0.000 0.452 332 G N 3.639 112.420 108.800 -0.031 0.000 2.356 332 G HA2 0.123 4.084 3.960 0.001 0.000 0.281 332 G HA3 0.123 4.084 3.960 0.001 0.000 0.281 332 G C -0.948 173.951 174.900 -0.002 0.000 1.246 332 G CA -0.832 44.159 45.100 -0.182 0.000 0.889 332 G HN 0.590 nan 8.290 nan 0.000 0.486 333 N N 1.490 120.181 118.700 -0.015 0.000 2.411 333 N HA 0.188 4.929 4.740 0.001 0.000 0.265 333 N C -1.155 174.423 175.510 0.113 0.000 1.266 333 N CA -1.218 51.894 53.050 0.102 0.000 0.889 333 N CB 1.472 40.011 38.487 0.087 0.000 1.069 333 N HN 0.025 nan 8.380 nan 0.000 0.476 334 P HA -0.076 nan 4.420 nan 0.000 0.221 334 P C 0.667 177.909 177.300 -0.098 0.000 1.145 334 P CA 1.220 64.291 63.100 -0.048 0.000 0.795 334 P CB -0.007 31.578 31.700 -0.192 0.000 0.775 335 F N -1.101 118.889 119.950 0.066 0.000 2.664 335 F HA 0.047 4.574 4.527 0.001 0.000 0.296 335 F C 1.141 176.958 175.800 0.028 0.000 1.125 335 F CA -0.026 57.992 58.000 0.030 0.000 1.444 335 F CB -0.089 38.882 39.000 -0.048 0.000 1.114 335 F HN -0.166 nan 8.300 nan 0.000 0.576 336 D N 0.226 120.733 120.400 0.178 0.000 2.343 336 D HA -0.024 4.617 4.640 0.001 0.000 0.255 336 D C 1.256 177.617 176.300 0.102 0.000 1.187 336 D CA 0.225 54.291 54.000 0.109 0.000 0.875 336 D CB 1.302 42.141 40.800 0.064 0.000 1.136 336 D HN 0.120 nan 8.370 nan 0.000 0.469 337 S N 3.552 119.311 115.700 0.098 0.000 2.469 337 S HA -0.137 4.334 4.470 0.001 0.000 0.238 337 S C 1.253 175.893 174.600 0.066 0.000 0.998 337 S CA 0.676 58.935 58.200 0.097 0.000 0.957 337 S CB -0.117 63.138 63.200 0.091 0.000 0.764 337 S HN 0.538 nan 8.310 nan 0.000 0.514 338 K N 0.997 121.426 120.400 0.048 0.000 2.426 338 K HA 0.105 4.426 4.320 0.001 0.000 0.193 338 K C 0.003 176.622 176.600 0.031 0.000 1.028 338 K CA 0.316 56.622 56.287 0.031 0.000 1.047 338 K CB -0.067 32.442 32.500 0.016 0.000 0.821 338 K HN 0.290 nan 8.250 nan 0.000 0.513 339 T N 1.992 116.571 114.554 0.042 0.000 2.851 339 T HA 0.073 4.423 4.350 0.001 0.000 0.298 339 T C 0.844 175.573 174.700 0.049 0.000 0.977 339 T CA 0.042 62.167 62.100 0.041 0.000 1.126 339 T CB 1.294 70.193 68.868 0.051 0.000 0.916 339 T HN 0.176 nan 8.240 nan 0.000 0.529 340 E N 1.507 121.736 120.200 0.047 0.000 2.307 340 E HA 0.050 4.401 4.350 0.001 0.000 0.195 340 E C 0.752 177.383 176.600 0.052 0.000 0.975 340 E CA 0.151 56.590 56.400 0.064 0.000 0.878 340 E CB 0.603 30.345 29.700 0.071 0.000 0.845 340 E HN 0.561 nan 8.360 nan 0.000 0.488 341 Q N 0.457 120.288 119.800 0.052 0.000 2.274 341 Q HA 0.420 4.761 4.340 0.001 0.000 0.268 341 Q C -0.586 175.483 176.000 0.115 0.000 1.015 341 Q CA -0.612 55.222 55.803 0.051 0.000 0.775 341 Q CB 1.753 30.525 28.738 0.057 0.000 1.256 341 Q HN 0.124 nan 8.270 nan 0.000 0.442 342 G N 3.188 112.022 108.800 0.057 0.000 2.509 342 G HA2 0.602 4.563 3.960 0.001 0.000 0.269 342 G HA3 0.602 4.563 3.960 0.001 0.000 0.269 342 G C -2.598 172.228 174.900 -0.125 0.000 1.416 342 G CA -1.078 44.075 45.100 0.088 0.000 1.052 342 G HN 0.532 nan 8.290 nan 0.000 0.542 343 P HA 0.225 nan 4.420 nan 0.000 0.278 343 P C -0.570 176.536 177.300 -0.323 0.000 1.266 343 P CA -0.589 61.961 63.100 -0.916 0.000 0.807 343 P CB 0.635 31.597 31.700 -1.229 0.000 1.094 344 Q N -0.067 119.643 119.800 -0.149 0.000 2.443 344 Q HA 0.059 4.399 4.340 0.001 0.000 0.232 344 Q C 1.285 177.182 176.000 -0.172 0.000 1.026 344 Q CA -0.326 55.429 55.803 -0.081 0.000 0.924 344 Q CB 0.070 28.831 28.738 0.037 0.000 1.256 344 Q HN 0.171 nan 8.270 nan 0.000 0.519 345 V N 0.370 120.106 119.914 -0.297 0.000 2.594 345 V HA -0.187 3.934 4.120 0.001 0.000 0.253 345 V C 0.195 176.005 176.094 -0.473 0.000 1.069 345 V CA 2.515 64.551 62.300 -0.440 0.000 1.082 345 V CB -0.200 31.093 31.823 -0.883 0.000 0.680 345 V HN 0.975 nan 8.190 nan 0.000 0.469 346 D N -3.323 116.719 120.400 -0.597 0.000 2.792 346 D HA 0.057 4.698 4.640 0.001 0.000 0.335 346 D C 0.606 176.258 176.300 -1.079 0.000 1.353 346 D CA -0.034 53.461 54.000 -0.843 0.000 0.839 346 D CB 0.447 40.907 40.800 -0.566 0.000 1.396 346 D HN -0.051 nan 8.370 nan 0.000 0.479 347 E N -0.724 118.815 120.200 -1.103 0.000 2.208 347 E HA -0.104 4.247 4.350 0.001 0.000 0.193 347 E C 1.002 177.499 176.600 -0.172 0.000 0.988 347 E CA 1.345 57.380 56.400 -0.608 0.000 0.828 347 E CB 0.007 29.545 29.700 -0.270 0.000 0.763 347 E HN 0.501 nan 8.360 nan 0.000 0.478 348 T N 1.238 115.674 114.554 -0.196 0.000 2.674 348 T HA -0.162 4.189 4.350 0.001 0.000 0.265 348 T C 1.796 176.463 174.700 -0.056 0.000 1.039 348 T CA 1.161 63.206 62.100 -0.093 0.000 1.150 348 T CB -0.157 68.656 68.868 -0.092 0.000 0.864 348 T HN 0.144 nan 8.240 nan 0.000 0.427 349 Q N 0.240 119.976 119.800 -0.106 0.000 2.061 349 Q HA -0.055 4.286 4.340 0.001 0.000 0.204 349 Q C 2.083 178.105 176.000 0.037 0.000 0.984 349 Q CA 1.301 57.092 55.803 -0.019 0.000 0.846 349 Q CB -0.868 27.814 28.738 -0.093 0.000 0.902 349 Q HN 0.552 nan 8.270 nan 0.000 0.421 350 F N 1.877 121.743 119.950 -0.139 0.000 2.063 350 F HA -0.298 4.230 4.527 0.002 0.000 0.298 350 F C 2.073 177.872 175.800 -0.002 0.000 1.109 350 F CA 1.909 59.878 58.000 -0.051 0.000 1.212 350 F CB -0.016 38.953 39.000 -0.051 0.000 0.973 350 F HN 0.014 nan 8.300 nan 0.000 0.480 351 K N -0.155 120.284 120.400 0.065 0.000 2.097 351 K HA -0.177 4.144 4.320 0.001 0.000 0.205 351 K C 2.210 178.760 176.600 -0.083 0.000 1.050 351 K CA 1.295 57.567 56.287 -0.025 0.000 0.938 351 K CB -0.232 32.299 32.500 0.052 0.000 0.718 351 K HN 0.250 nan 8.250 nan 0.000 0.442 352 K N 1.198 121.568 120.400 -0.049 0.000 2.057 352 K HA -0.092 4.229 4.320 0.001 0.000 0.207 352 K C 2.011 178.589 176.600 -0.038 0.000 1.049 352 K CA 1.103 57.346 56.287 -0.074 0.000 0.931 352 K CB -0.016 32.486 32.500 0.004 0.000 0.714 352 K HN 0.044 nan 8.250 nan 0.000 0.440 353 I N 1.171 121.761 120.570 0.034 0.000 2.226 353 I HA -0.301 3.870 4.170 0.001 0.000 0.245 353 I C 2.129 178.253 176.117 0.012 0.000 1.100 353 I CA 1.012 62.369 61.300 0.094 0.000 1.374 353 I CB -0.200 37.829 38.000 0.047 0.000 1.057 353 I HN 0.158 nan 8.210 nan 0.000 0.413 354 L N 0.446 121.586 121.223 -0.139 0.000 2.042 354 L HA -0.176 4.165 4.340 0.001 0.000 0.210 354 L C 2.726 179.562 176.870 -0.056 0.000 1.076 354 L CA 1.655 56.413 54.840 -0.136 0.000 0.749 354 L CB -1.316 40.597 42.059 -0.242 0.000 0.893 354 L HN 0.351 nan 8.230 nan 0.000 0.432 355 G N -0.958 107.786 108.800 -0.094 0.000 2.476 355 G HA2 -0.306 3.654 3.960 0.001 0.000 0.218 355 G HA3 -0.306 3.654 3.960 0.001 0.000 0.218 355 G C 1.428 176.281 174.900 -0.078 0.000 1.164 355 G CA 0.825 45.849 45.100 -0.127 0.000 0.768 355 G HN 0.334 nan 8.290 nan 0.000 0.560 356 Y N 0.356 120.654 120.300 -0.002 0.000 2.242 356 Y HA 0.022 4.573 4.550 0.001 0.000 0.291 356 Y C 2.819 178.725 175.900 0.009 0.000 1.137 356 Y CA 0.317 58.416 58.100 -0.003 0.000 1.181 356 Y CB -0.017 38.449 38.460 0.011 0.000 0.989 356 Y HN 0.120 nan 8.280 nan 0.000 0.527 357 I N 0.149 120.853 120.570 0.224 0.000 2.208 357 I HA -0.370 3.801 4.170 0.001 0.000 0.245 357 I C 2.379 178.625 176.117 0.215 0.000 1.097 357 I CA 1.564 63.025 61.300 0.268 0.000 1.363 357 I CB -0.453 37.668 38.000 0.203 0.000 1.051 357 I HN 0.372 nan 8.210 nan 0.000 0.413 358 N N 0.185 118.954 118.700 0.114 0.000 2.309 358 N HA -0.139 4.602 4.740 0.001 0.000 0.182 358 N C 1.674 177.214 175.510 0.050 0.000 1.018 358 N CA 1.512 54.610 53.050 0.080 0.000 0.876 358 N CB 0.179 38.688 38.487 0.038 0.000 0.972 358 N HN 0.299 nan 8.380 nan 0.000 0.434 359 T N -0.317 114.258 114.554 0.035 0.000 2.737 359 T HA -0.061 4.289 4.350 0.001 0.000 0.265 359 T C 1.822 176.484 174.700 -0.062 0.000 1.038 359 T CA 1.350 63.454 62.100 0.007 0.000 1.144 359 T CB -0.773 68.130 68.868 0.058 0.000 0.866 359 T HN 0.392 nan 8.240 nan 0.000 0.434 360 G N 2.060 110.750 108.800 -0.184 0.000 2.469 360 G HA2 -0.255 3.705 3.960 0.001 0.000 0.219 360 G HA3 -0.255 3.705 3.960 0.001 0.000 0.219 360 G C 1.597 176.359 174.900 -0.230 0.000 1.150 360 G CA 0.818 45.618 45.100 -0.499 0.000 0.763 360 G HN 0.444 nan 8.290 nan 0.000 0.561 361 K N -0.107 120.308 120.400 0.024 0.000 2.057 361 K HA -0.098 4.223 4.320 0.001 0.000 0.207 361 K C 2.612 179.248 176.600 0.059 0.000 1.049 361 K CA 1.205 57.574 56.287 0.138 0.000 0.931 361 K CB -0.166 32.437 32.500 0.172 0.000 0.714 361 K HN 0.220 nan 8.250 nan 0.000 0.440 362 Q N 0.880 120.696 119.800 0.027 0.000 2.230 362 Q HA -0.098 4.243 4.340 0.001 0.000 0.202 362 Q C 1.543 177.546 176.000 0.004 0.000 0.963 362 Q CA 1.137 56.951 55.803 0.018 0.000 0.866 362 Q CB -0.010 28.735 28.738 0.012 0.000 0.931 362 Q HN 0.459 nan 8.270 nan 0.000 0.452 363 E N -0.580 119.609 120.200 -0.019 0.000 2.427 363 E HA 0.016 4.367 4.350 0.001 0.000 0.196 363 E C 0.749 177.341 176.600 -0.013 0.000 1.028 363 E CA 0.469 56.852 56.400 -0.028 0.000 0.864 363 E CB 0.185 29.845 29.700 -0.067 0.000 0.813 363 E HN 0.525 nan 8.360 nan 0.000 0.514 364 G N 0.910 109.714 108.800 0.006 0.000 2.194 364 G HA2 -0.298 3.662 3.960 0.001 0.000 0.236 364 G HA3 -0.298 3.662 3.960 0.001 0.000 0.236 364 G C 0.452 175.381 174.900 0.048 0.000 0.987 364 G CA -0.057 45.061 45.100 0.030 0.000 0.635 364 G HN 0.472 nan 8.290 nan 0.000 0.520 365 A N 0.447 123.279 122.820 0.020 0.000 2.531 365 A HA 0.466 4.787 4.320 0.001 0.000 0.236 365 A C 0.706 178.435 177.584 0.242 0.000 1.062 365 A CA 1.163 53.241 52.037 0.068 0.000 0.760 365 A CB 0.238 19.153 19.000 -0.141 0.000 0.995 365 A HN 0.637 nan 8.150 nan 0.000 0.501 366 K N 2.364 122.920 120.400 0.261 0.000 2.310 366 K HA 0.296 4.617 4.320 0.001 0.000 0.290 366 K C -0.759 175.986 176.600 0.243 0.000 1.077 366 K CA -0.504 55.917 56.287 0.222 0.000 0.922 366 K CB 0.246 32.835 32.500 0.150 0.000 1.057 366 K HN 0.577 nan 8.250 nan 0.000 0.479 367 L N 6.600 127.913 121.223 0.150 0.000 2.385 367 L HA 0.112 4.452 4.340 0.001 0.000 0.281 367 L C 0.259 177.061 176.870 -0.112 0.000 1.106 367 L CA 0.473 55.233 54.840 -0.132 0.000 0.856 367 L CB 0.468 42.465 42.059 -0.105 0.000 1.186 367 L HN 0.807 nan 8.230 nan 0.000 0.453 368 L N 4.703 125.830 121.223 -0.161 0.000 2.408 368 L HA 0.216 4.557 4.340 0.001 0.000 0.215 368 L C 0.392 177.204 176.870 -0.096 0.000 1.081 368 L CA 0.249 55.038 54.840 -0.085 0.000 0.840 368 L CB -0.014 42.014 42.059 -0.052 0.000 1.002 368 L HN 0.838 nan 8.230 nan 0.000 0.468 369 C N -3.218 115.995 119.300 -0.145 0.000 3.253 369 C HA 0.713 5.174 4.460 0.001 0.000 0.342 369 C C 0.587 175.498 174.990 -0.131 0.000 1.306 369 C CA -0.628 58.324 59.018 -0.109 0.000 1.207 369 C CB 0.817 28.511 27.740 -0.078 0.000 1.479 369 C HN 0.630 nan 8.230 nan 0.000 0.469 370 G N 0.776 109.525 108.800 -0.085 0.000 2.528 370 G HA2 0.394 4.355 3.960 0.001 0.000 0.262 370 G HA3 0.394 4.355 3.960 0.001 0.000 0.262 370 G C 1.252 176.108 174.900 -0.073 0.000 1.200 370 G CA 2.069 47.131 45.100 -0.063 0.000 0.951 370 G HN 3.357 nan 8.290 nan 0.000 0.566 371 G N -1.796 106.971 108.800 -0.054 0.000 2.144 371 G HA2 0.494 4.455 3.960 0.001 0.000 0.218 371 G HA3 0.494 4.455 3.960 0.001 0.000 0.218 371 G C 1.356 176.263 174.900 0.012 0.000 0.988 371 G CA 0.863 45.947 45.100 -0.027 0.000 0.659 371 G HN 2.644 nan 8.290 nan 0.000 0.522 372 G N -1.140 107.669 108.800 0.014 0.000 2.721 372 G HA2 0.667 4.627 3.960 0.001 0.000 0.296 372 G HA3 0.667 4.627 3.960 0.001 0.000 0.296 372 G C -0.595 174.334 174.900 0.048 0.000 1.383 372 G CA -0.829 44.286 45.100 0.025 0.000 0.788 372 G HN 0.619 nan 8.290 nan 0.000 0.500 373 I N 1.261 121.879 120.570 0.079 0.000 2.529 373 I HA 0.319 4.489 4.170 0.001 0.000 0.284 373 I C 1.488 177.692 176.117 0.145 0.000 1.082 373 I CA -0.093 61.306 61.300 0.166 0.000 1.406 373 I CB 1.837 39.983 38.000 0.245 0.000 1.405 373 I HN 0.591 nan 8.210 nan 0.000 0.548 374 A N 5.129 128.061 122.820 0.187 0.000 2.147 374 A HA 0.645 4.966 4.320 0.001 0.000 0.211 374 A C 0.847 178.458 177.584 0.046 0.000 1.160 374 A CA 0.873 52.977 52.037 0.112 0.000 0.781 374 A CB 0.061 19.144 19.000 0.138 0.000 0.842 374 A HN 0.800 nan 8.150 nan 0.000 0.475 375 A N -1.311 121.562 122.820 0.088 0.000 2.599 375 A HA 0.516 4.837 4.320 0.001 0.000 0.290 375 A C 0.197 177.800 177.584 0.031 0.000 1.101 375 A CA 0.270 52.298 52.037 -0.015 0.000 0.674 375 A CB 0.109 18.979 19.000 -0.218 0.000 1.277 375 A HN -0.028 nan 8.150 nan 0.000 0.419 376 D N 0.183 120.568 120.400 -0.025 0.000 2.084 376 D HA -0.017 4.624 4.640 0.001 0.000 0.199 376 D C 0.444 176.711 176.300 -0.056 0.000 0.981 376 D CA 1.161 55.145 54.000 -0.026 0.000 0.841 376 D CB 0.087 40.863 40.800 -0.040 0.000 0.997 376 D HN 0.429 nan 8.370 nan 0.000 0.454 377 R N -0.043 120.417 120.500 -0.068 0.000 2.560 377 R HA 0.524 4.864 4.340 0.001 0.000 0.270 377 R C 1.149 177.408 176.300 -0.068 0.000 1.074 377 R CA 0.327 56.366 56.100 -0.102 0.000 1.140 377 R CB 0.099 30.352 30.300 -0.079 0.000 1.073 377 R HN 0.408 nan 8.270 nan 0.000 0.527 378 G N 0.828 109.440 108.800 -0.314 0.000 2.593 378 G HA2 -0.300 3.661 3.960 0.001 0.000 0.237 378 G HA3 -0.300 3.661 3.960 0.001 0.000 0.237 378 G C -0.976 173.384 174.900 -0.900 0.000 1.312 378 G CA -0.217 44.560 45.100 -0.538 0.000 0.896 378 G HN 0.596 nan 8.290 nan 0.000 0.574 379 Y N -0.374 119.695 120.300 -0.386 0.000 2.470 379 Y HA 0.570 5.120 4.550 0.000 0.000 0.352 379 Y C 0.058 175.870 175.900 -0.146 0.000 0.967 379 Y CA -0.706 57.114 58.100 -0.466 0.000 1.121 379 Y CB 0.444 38.676 38.460 -0.380 0.000 1.149 379 Y HN 0.370 nan 8.280 nan 0.000 0.641 380 F N 1.736 121.817 119.950 0.218 0.000 2.408 380 F HA 0.584 5.111 4.527 0.001 0.000 0.344 380 F C 0.063 176.048 175.800 0.307 0.000 1.112 380 F CA -0.987 57.145 58.000 0.220 0.000 1.096 380 F CB 0.938 39.992 39.000 0.091 0.000 1.129 380 F HN 0.037 nan 8.300 nan 0.000 0.486 381 I N 2.402 123.183 120.570 0.352 0.000 2.474 381 I HA 0.253 4.424 4.170 0.001 0.000 0.294 381 I C -0.457 175.756 176.117 0.160 0.000 1.005 381 I CA -0.947 60.478 61.300 0.209 0.000 1.113 381 I CB 1.832 39.889 38.000 0.095 0.000 1.289 381 I HN 0.502 nan 8.210 nan 0.000 0.436 382 Q N 6.200 126.066 119.800 0.110 0.000 2.300 382 Q HA 0.135 4.476 4.340 0.001 0.000 0.280 382 Q C -2.247 173.795 176.000 0.070 0.000 1.033 382 Q CA -1.566 54.277 55.803 0.067 0.000 0.903 382 Q CB -0.006 28.751 28.738 0.032 0.000 1.195 382 Q HN 0.239 nan 8.270 nan 0.000 0.386 383 P HA -0.101 nan 4.420 nan 0.000 0.260 383 P C -1.038 176.319 177.300 0.095 0.000 1.172 383 P CA 0.680 63.811 63.100 0.052 0.000 0.760 383 P CB 0.518 32.047 31.700 -0.286 0.000 0.773 384 T N 2.866 117.559 114.554 0.231 0.000 2.848 384 T HA 0.461 4.812 4.350 0.001 0.000 0.285 384 T C -0.503 174.228 174.700 0.051 0.000 0.995 384 T CA -0.446 61.680 62.100 0.043 0.000 0.970 384 T CB 1.090 69.949 68.868 -0.015 0.000 0.976 384 T HN -0.050 nan 8.240 nan 0.000 0.441 385 V N 3.832 123.678 119.914 -0.114 0.000 2.540 385 V HA 0.588 4.709 4.120 0.001 0.000 0.302 385 V C -1.007 174.914 176.094 -0.288 0.000 1.035 385 V CA -0.902 61.353 62.300 -0.074 0.000 0.873 385 V CB 1.293 33.132 31.823 0.027 0.000 0.992 385 V HN 0.806 nan 8.190 nan 0.000 0.428 386 F N 2.066 122.038 119.950 0.036 0.000 2.450 386 F HA 0.820 5.347 4.527 0.001 0.000 0.332 386 F C 0.865 176.691 175.800 0.042 0.000 1.093 386 F CA -0.280 57.740 58.000 0.033 0.000 1.003 386 F CB 2.133 41.144 39.000 0.018 0.000 1.151 386 F HN 0.612 nan 8.300 nan 0.000 0.474 387 G N 0.025 108.971 108.800 0.244 0.000 2.685 387 G HA2 0.422 4.383 3.960 0.001 0.000 0.298 387 G HA3 0.422 4.383 3.960 0.001 0.000 0.298 387 G C -0.794 174.242 174.900 0.226 0.000 1.277 387 G CA -0.767 44.465 45.100 0.219 0.000 0.986 387 G HN 0.651 nan 8.290 nan 0.000 0.487 388 D N -1.212 119.348 120.400 0.265 0.000 2.751 388 D HA -0.162 4.479 4.640 0.001 0.000 0.233 388 D C 0.600 176.954 176.300 0.090 0.000 1.149 388 D CA 0.680 54.768 54.000 0.147 0.000 0.682 388 D CB -1.224 39.647 40.800 0.117 0.000 1.068 388 D HN 0.221 nan 8.370 nan 0.000 0.429 389 V N 0.988 120.952 119.914 0.083 0.000 2.572 389 V HA 0.004 4.125 4.120 0.001 0.000 0.291 389 V C 0.901 176.994 176.094 -0.002 0.000 1.039 389 V CA 0.158 62.470 62.300 0.021 0.000 1.055 389 V CB 1.575 33.393 31.823 -0.009 0.000 0.969 389 V HN 0.047 nan 8.190 nan 0.000 0.482 390 Q N 2.539 122.336 119.800 -0.004 0.000 2.215 390 Q HA 0.320 4.660 4.340 0.001 0.000 0.256 390 Q C 0.529 176.536 176.000 0.012 0.000 0.972 390 Q CA -0.740 55.070 55.803 0.012 0.000 0.889 390 Q CB 1.239 29.987 28.738 0.017 0.000 1.281 390 Q HN 0.631 nan 8.270 nan 0.000 0.456 391 D N 1.005 121.433 120.400 0.046 0.000 2.149 391 D HA -0.101 4.540 4.640 0.001 0.000 0.198 391 D C 1.398 177.722 176.300 0.040 0.000 0.990 391 D CA 1.526 55.565 54.000 0.064 0.000 0.839 391 D CB -0.039 40.821 40.800 0.099 0.000 0.948 391 D HN 0.802 nan 8.370 nan 0.000 0.460 392 G N -0.473 108.344 108.800 0.028 0.000 2.985 392 G HA2 0.062 4.023 3.960 0.001 0.000 0.209 392 G HA3 0.062 4.023 3.960 0.001 0.000 0.209 392 G C 0.642 175.547 174.900 0.009 0.000 1.165 392 G CA -0.263 44.850 45.100 0.021 0.000 0.776 392 G HN 0.139 nan 8.290 nan 0.000 0.541 393 M N 0.429 120.026 119.600 -0.005 0.000 2.233 393 M HA 0.152 4.632 4.480 0.001 0.000 0.350 393 M C 1.737 178.023 176.300 -0.024 0.000 1.176 393 M CA -0.103 55.181 55.300 -0.026 0.000 1.150 393 M CB 1.212 33.777 32.600 -0.059 0.000 1.530 393 M HN -0.064 nan 8.290 nan 0.000 0.459 394 T N 2.541 117.085 114.554 -0.017 0.000 2.833 394 T HA -0.094 4.257 4.350 0.001 0.000 0.269 394 T C 1.533 176.212 174.700 -0.035 0.000 1.054 394 T CA 1.460 63.566 62.100 0.011 0.000 1.135 394 T CB -0.406 68.497 68.868 0.059 0.000 0.869 394 T HN 0.753 nan 8.240 nan 0.000 0.466 395 I N -0.479 120.033 120.570 -0.098 0.000 2.830 395 I HA 0.185 4.355 4.170 0.001 0.000 0.263 395 I C 2.317 178.345 176.117 -0.149 0.000 1.230 395 I CA 0.840 62.033 61.300 -0.177 0.000 1.480 395 I CB -0.372 37.458 38.000 -0.283 0.000 1.095 395 I HN 0.069 nan 8.210 nan 0.000 0.455 396 A N 1.069 123.831 122.820 -0.097 0.000 2.178 396 A HA 0.140 4.461 4.320 0.001 0.000 0.211 396 A C 2.206 179.779 177.584 -0.017 0.000 1.157 396 A CA 0.417 52.414 52.037 -0.067 0.000 0.780 396 A CB -0.116 18.852 19.000 -0.052 0.000 0.828 396 A HN 0.448 nan 8.150 nan 0.000 0.476 397 K N -0.283 120.115 120.400 -0.003 0.000 2.344 397 K HA 0.140 4.460 4.320 0.001 0.000 0.200 397 K C -0.129 176.533 176.600 0.103 0.000 1.132 397 K CA 0.255 56.579 56.287 0.062 0.000 0.935 397 K CB 0.420 32.956 32.500 0.061 0.000 1.089 397 K HN 0.438 nan 8.250 nan 0.000 0.496 398 E N 1.981 122.197 120.200 0.027 0.000 2.231 398 E HA 0.077 4.428 4.350 0.001 0.000 0.277 398 E C -0.892 175.618 176.600 -0.151 0.000 0.999 398 E CA -0.328 56.091 56.400 0.032 0.000 0.827 398 E CB 1.634 31.374 29.700 0.065 0.000 1.101 398 E HN 0.089 nan 8.360 nan 0.000 0.393 399 E N 2.986 123.130 120.200 -0.094 0.000 2.328 399 E HA -0.018 4.333 4.350 0.001 0.000 0.265 399 E C 0.192 176.671 176.600 -0.203 0.000 1.057 399 E CA 0.040 56.345 56.400 -0.158 0.000 0.916 399 E CB 0.397 30.015 29.700 -0.137 0.000 0.993 399 E HN 0.533 nan 8.360 nan 0.000 0.446 400 I N 4.463 124.876 120.570 -0.263 0.000 2.867 400 I HA -0.025 4.146 4.170 0.001 0.000 0.265 400 I C 0.450 176.664 176.117 0.161 0.000 1.162 400 I CA -0.039 61.084 61.300 -0.294 0.000 1.471 400 I CB 0.138 37.933 38.000 -0.343 0.000 1.123 400 I HN 0.705 nan 8.210 nan 0.000 0.440 401 F N 1.720 121.630 119.950 -0.066 0.000 3.091 401 F HA -0.202 4.325 4.527 0.001 0.000 0.288 401 F C 0.412 176.234 175.800 0.037 0.000 0.907 401 F CA 0.619 58.621 58.000 0.003 0.000 1.028 401 F CB -1.249 37.796 39.000 0.075 0.000 1.022 401 F HN 0.149 nan 8.300 nan 0.000 0.665 402 G N -0.610 108.193 108.800 0.004 0.000 2.687 402 G HA2 0.618 4.579 3.960 0.001 0.000 0.291 402 G HA3 0.618 4.579 3.960 0.001 0.000 0.291 402 G C -3.034 171.825 174.900 -0.067 0.000 1.420 402 G CA -0.681 44.417 45.100 -0.003 0.000 0.796 402 G HN -0.152 nan 8.290 nan 0.000 0.485 403 P HA 0.275 nan 4.420 nan 0.000 0.226 403 P C -0.622 176.718 177.300 0.066 0.000 1.783 403 P CA -0.025 63.127 63.100 0.087 0.000 0.980 403 P CB 0.206 32.093 31.700 0.312 0.000 1.967 404 V N 3.238 123.072 119.914 -0.132 0.000 2.419 404 V HA 0.326 4.447 4.120 0.001 0.000 0.287 404 V C 0.227 176.237 176.094 -0.140 0.000 1.017 404 V CA -0.598 61.689 62.300 -0.022 0.000 0.844 404 V CB 1.953 33.837 31.823 0.102 0.000 1.011 404 V HN 0.305 nan 8.190 nan 0.000 0.429 405 M N 3.934 123.457 119.600 -0.128 0.000 2.233 405 M HA 0.581 5.061 4.480 0.001 0.000 0.355 405 M C -0.755 175.569 176.300 0.039 0.000 1.191 405 M CA -0.302 54.907 55.300 -0.151 0.000 1.101 405 M CB 1.427 33.947 32.600 -0.133 0.000 1.592 405 M HN 0.619 nan 8.290 nan 0.000 0.461 406 Q N 4.825 124.618 119.800 -0.013 0.000 2.333 406 Q HA 0.579 4.919 4.340 0.001 0.000 0.268 406 Q C -1.330 174.662 176.000 -0.014 0.000 1.007 406 Q CA -0.003 55.812 55.803 0.020 0.000 0.810 406 Q CB 1.903 30.608 28.738 -0.056 0.000 1.264 406 Q HN 0.685 nan 8.270 nan 0.000 0.452 407 I N 3.994 124.595 120.570 0.052 0.000 2.362 407 I HA 0.409 4.580 4.170 0.001 0.000 0.289 407 I C -0.923 175.256 176.117 0.102 0.000 0.994 407 I CA -0.879 60.460 61.300 0.066 0.000 1.158 407 I CB 0.950 39.019 38.000 0.115 0.000 1.315 407 I HN 0.337 nan 8.210 nan 0.000 0.451 408 L N 6.542 127.764 121.223 -0.002 0.000 2.342 408 L HA 0.512 4.853 4.340 0.001 0.000 0.271 408 L C -0.129 176.856 176.870 0.193 0.000 1.008 408 L CA -0.482 54.350 54.840 -0.013 0.000 0.818 408 L CB 1.616 43.435 42.059 -0.399 0.000 1.296 408 L HN 0.457 nan 8.230 nan 0.000 0.427 409 K N 2.481 122.944 120.400 0.105 0.000 2.159 409 K HA 0.650 4.971 4.320 0.001 0.000 0.266 409 K C -1.331 175.394 176.600 0.209 0.000 0.975 409 K CA -0.449 55.839 56.287 0.000 0.000 0.865 409 K CB 1.065 33.244 32.500 -0.535 0.000 1.087 409 K HN 0.520 nan 8.250 nan 0.000 0.446 410 F N 1.477 121.482 119.950 0.092 0.000 2.640 410 F HA 0.478 5.005 4.527 0.001 0.000 0.324 410 F C 0.310 176.131 175.800 0.034 0.000 1.077 410 F CA -0.931 57.120 58.000 0.085 0.000 0.965 410 F CB 1.583 40.661 39.000 0.130 0.000 1.351 410 F HN 0.516 nan 8.300 nan 0.000 0.487 411 K N -0.137 120.325 120.400 0.104 0.000 2.266 411 K HA 0.206 4.527 4.320 0.001 0.000 0.209 411 K C 0.185 176.826 176.600 0.067 0.000 1.065 411 K CA 1.003 57.273 56.287 -0.029 0.000 0.946 411 K CB 0.293 32.803 32.500 0.017 0.000 1.069 411 K HN 0.907 nan 8.250 nan 0.000 0.472 412 T N -2.120 112.580 114.554 0.243 0.000 2.950 412 T HA 0.285 4.636 4.350 0.001 0.000 0.288 412 T C 1.115 175.982 174.700 0.278 0.000 1.035 412 T CA -0.864 61.355 62.100 0.199 0.000 1.028 412 T CB 1.510 70.432 68.868 0.089 0.000 1.109 412 T HN 0.175 nan 8.240 nan 0.000 0.514 413 I N 0.440 121.102 120.570 0.154 0.000 2.315 413 I HA -0.068 4.103 4.170 0.001 0.000 0.248 413 I C 2.114 178.256 176.117 0.042 0.000 1.117 413 I CA 1.396 62.745 61.300 0.081 0.000 1.404 413 I CB -0.009 37.976 38.000 -0.026 0.000 1.071 413 I HN 0.768 nan 8.210 nan 0.000 0.419 414 E N 0.572 120.797 120.200 0.040 0.000 2.106 414 E HA -0.273 4.078 4.350 0.001 0.000 0.192 414 E C 1.943 178.556 176.600 0.022 0.000 0.984 414 E CA 1.234 57.680 56.400 0.076 0.000 0.806 414 E CB -0.238 29.497 29.700 0.058 0.000 0.750 414 E HN 0.519 nan 8.360 nan 0.000 0.458 415 E N 0.545 120.755 120.200 0.017 0.000 2.051 415 E HA -0.174 4.177 4.350 0.001 0.000 0.192 415 E C 2.078 178.598 176.600 -0.132 0.000 0.991 415 E CA 1.170 57.566 56.400 -0.007 0.000 0.799 415 E CB -0.040 29.702 29.700 0.071 0.000 0.748 415 E HN 0.178 nan 8.360 nan 0.000 0.449 416 V N 0.473 120.227 119.914 -0.268 0.000 2.515 416 V HA -0.179 3.942 4.120 0.001 0.000 0.250 416 V C 2.338 178.112 176.094 -0.534 0.000 1.058 416 V CA 1.244 63.139 62.300 -0.674 0.000 1.064 416 V CB 0.061 31.070 31.823 -1.358 0.000 0.675 416 V HN 0.212 nan 8.190 nan 0.000 0.461 417 V N 0.669 120.415 119.914 -0.280 0.000 2.287 417 V HA -0.183 3.938 4.120 0.001 0.000 0.248 417 V C 2.649 178.629 176.094 -0.190 0.000 1.053 417 V CA 2.260 64.440 62.300 -0.200 0.000 1.027 417 V CB -1.367 30.406 31.823 -0.082 0.000 0.646 417 V HN 0.633 nan 8.190 nan 0.000 0.447 418 G N -0.420 108.293 108.800 -0.145 0.000 2.418 418 G HA2 -0.220 3.741 3.960 0.001 0.000 0.217 418 G HA3 -0.220 3.741 3.960 0.001 0.000 0.217 418 G C 1.745 176.578 174.900 -0.113 0.000 1.158 418 G CA 0.665 45.704 45.100 -0.101 0.000 0.771 418 G HN 0.447 nan 8.290 nan 0.000 0.545 419 R N 0.495 120.891 120.500 -0.174 0.000 2.075 419 R HA 0.110 4.450 4.340 0.001 0.000 0.232 419 R C 3.022 179.233 176.300 -0.147 0.000 1.126 419 R CA 1.040 57.060 56.100 -0.133 0.000 0.963 419 R CB -0.378 29.834 30.300 -0.147 0.000 0.858 419 R HN 0.329 nan 8.270 nan 0.000 0.435 420 A N 1.631 124.232 122.820 -0.365 0.000 1.933 420 A HA -0.166 4.155 4.320 0.001 0.000 0.218 420 A C 1.635 179.175 177.584 -0.072 0.000 1.175 420 A CA 1.538 53.441 52.037 -0.224 0.000 0.628 420 A CB -0.353 18.451 19.000 -0.326 0.000 0.814 420 A HN 0.229 nan 8.150 nan 0.000 0.444 421 N N 0.123 118.765 118.700 -0.097 0.000 2.463 421 N HA -0.053 4.687 4.740 0.001 0.000 0.181 421 N C 0.380 175.880 175.510 -0.017 0.000 1.078 421 N CA 0.330 53.346 53.050 -0.057 0.000 0.902 421 N CB -0.418 38.023 38.487 -0.076 0.000 0.970 421 N HN 0.394 nan 8.380 nan 0.000 0.451 422 N N 1.001 119.697 118.700 -0.006 0.000 3.178 422 N HA 0.020 4.761 4.740 0.001 0.000 0.300 422 N C -1.255 174.281 175.510 0.043 0.000 1.242 422 N CA 0.106 53.166 53.050 0.015 0.000 1.192 422 N CB -0.304 38.194 38.487 0.020 0.000 1.463 422 N HN -0.075 nan 8.380 nan 0.000 0.539 423 S N -0.516 115.209 115.700 0.042 0.000 2.550 423 S HA 0.290 4.761 4.470 0.001 0.000 0.270 423 S C 0.917 175.530 174.600 0.022 0.000 1.145 423 S CA -0.465 57.775 58.200 0.066 0.000 0.852 423 S CB 0.528 63.809 63.200 0.134 0.000 1.119 423 S HN 0.378 nan 8.310 nan 0.000 0.465 424 T N 0.658 115.184 114.554 -0.046 0.000 3.113 424 T HA 0.254 4.605 4.350 0.001 0.000 0.256 424 T C 0.443 175.033 174.700 -0.184 0.000 1.131 424 T CA 0.509 62.521 62.100 -0.146 0.000 1.074 424 T CB -0.516 68.208 68.868 -0.241 0.000 0.944 424 T HN 0.539 nan 8.240 nan 0.000 0.516 425 Y N 0.502 120.820 120.300 0.031 0.000 2.458 425 Y HA 0.584 5.135 4.550 0.001 0.000 0.322 425 Y C 1.287 177.203 175.900 0.027 0.000 1.259 425 Y CA -0.652 57.469 58.100 0.035 0.000 1.302 425 Y CB 1.664 40.150 38.460 0.043 0.000 1.314 425 Y HN 0.117 nan 8.280 nan 0.000 0.509 426 G N 0.981 109.909 108.800 0.214 0.000 5.312 426 G HA2 0.081 4.042 3.960 0.001 0.000 0.204 426 G HA3 0.081 4.042 3.960 0.001 0.000 0.204 426 G C -0.243 174.659 174.900 0.002 0.000 1.097 426 G CA -0.297 44.848 45.100 0.075 0.000 0.621 426 G HN 0.539 nan 8.290 nan 0.000 0.290 427 L N 0.537 121.764 121.223 0.007 0.000 2.068 427 L HA 0.764 5.105 4.340 0.001 0.000 0.204 427 L C 1.115 177.825 176.870 -0.266 0.000 1.076 427 L CA 2.230 57.010 54.840 -0.100 0.000 0.753 427 L CB -0.006 42.053 42.059 0.001 0.000 0.910 427 L HN 0.519 nan 8.230 nan 0.000 0.439 428 A N -1.959 120.758 122.820 -0.173 0.000 2.583 428 A HA 0.910 5.231 4.320 0.001 0.000 0.289 428 A C -1.407 176.085 177.584 -0.153 0.000 1.151 428 A CA -0.118 51.743 52.037 -0.293 0.000 0.695 428 A CB 0.899 19.749 19.000 -0.249 0.000 1.290 428 A HN 0.533 nan 8.150 nan 0.000 0.419 429 A N -1.334 121.363 122.820 -0.204 0.000 2.586 429 A HA 0.977 5.298 4.320 0.001 0.000 0.291 429 A C -0.680 176.934 177.584 0.050 0.000 1.062 429 A CA 0.120 52.158 52.037 0.000 0.000 0.666 429 A CB 0.511 19.472 19.000 -0.065 0.000 1.281 429 A HN 2.663 nan 8.150 nan 0.000 0.421 430 A N -0.359 122.619 122.820 0.264 0.000 2.556 430 A HA 0.844 5.165 4.320 0.001 0.000 0.294 430 A C -1.476 176.292 177.584 0.306 0.000 1.091 430 A CA -0.549 51.692 52.037 0.340 0.000 0.704 430 A CB 1.639 21.059 19.000 0.699 0.000 1.300 430 A HN 1.780 nan 8.150 nan 0.000 0.406 431 V N 0.793 120.841 119.914 0.222 0.000 2.623 431 V HA 0.549 4.670 4.120 0.001 0.000 0.304 431 V C -1.658 174.512 176.094 0.127 0.000 1.054 431 V CA -0.230 62.193 62.300 0.205 0.000 0.882 431 V CB 1.505 33.385 31.823 0.094 0.000 1.002 431 V HN 0.706 nan 8.190 nan 0.000 0.424 432 F N 2.839 122.898 119.950 0.181 0.000 2.403 432 F HA 0.775 5.302 4.527 0.001 0.000 0.355 432 F C 0.303 176.207 175.800 0.173 0.000 1.119 432 F CA -0.229 57.890 58.000 0.198 0.000 1.007 432 F CB 2.073 41.198 39.000 0.209 0.000 1.194 432 F HN 0.502 nan 8.300 nan 0.000 0.443 433 T N 2.038 116.737 114.554 0.242 0.000 2.893 433 T HA 0.268 4.618 4.350 0.001 0.000 0.337 433 T C 0.018 174.795 174.700 0.130 0.000 1.587 433 T CA -0.706 61.503 62.100 0.181 0.000 1.066 433 T CB 1.385 70.339 68.868 0.143 0.000 1.414 433 T HN 0.644 nan 8.240 nan 0.000 0.488 434 K N 0.836 121.302 120.400 0.110 0.000 2.361 434 K HA 0.178 4.499 4.320 0.001 0.000 0.194 434 K C -0.178 176.455 176.600 0.055 0.000 1.032 434 K CA -0.083 56.251 56.287 0.077 0.000 1.048 434 K CB 0.251 32.794 32.500 0.072 0.000 0.842 434 K HN 0.488 nan 8.250 nan 0.000 0.526 435 D N 1.049 121.484 120.400 0.059 0.000 2.295 435 D HA 0.017 4.657 4.640 0.001 0.000 0.248 435 D C 0.890 177.214 176.300 0.040 0.000 1.154 435 D CA -0.303 53.723 54.000 0.044 0.000 0.857 435 D CB 1.043 41.868 40.800 0.042 0.000 1.117 435 D HN -0.184 nan 8.370 nan 0.000 0.468 436 L N 4.192 125.433 121.223 0.031 0.000 1.971 436 L HA -0.182 4.158 4.340 0.001 0.000 0.215 436 L C 1.255 178.147 176.870 0.037 0.000 1.072 436 L CA 2.042 56.900 54.840 0.029 0.000 0.758 436 L CB -0.558 41.515 42.059 0.023 0.000 0.889 436 L HN 0.530 nan 8.230 nan 0.000 0.433 437 D N -0.626 119.795 120.400 0.035 0.000 2.144 437 D HA -0.159 4.482 4.640 0.001 0.000 0.199 437 D C 2.212 178.553 176.300 0.068 0.000 0.984 437 D CA 1.183 55.209 54.000 0.045 0.000 0.834 437 D CB -0.065 40.749 40.800 0.023 0.000 0.955 437 D HN 0.402 nan 8.370 nan 0.000 0.465 438 K N 0.513 120.943 120.400 0.049 0.000 2.057 438 K HA -0.054 4.267 4.320 0.001 0.000 0.207 438 K C 2.114 178.782 176.600 0.114 0.000 1.049 438 K CA 1.122 57.450 56.287 0.068 0.000 0.931 438 K CB -0.080 32.453 32.500 0.055 0.000 0.714 438 K HN 0.037 nan 8.250 nan 0.000 0.440 439 A N 2.194 125.062 122.820 0.080 0.000 1.858 439 A HA -0.204 4.117 4.320 0.001 0.000 0.216 439 A C 1.871 179.491 177.584 0.058 0.000 1.190 439 A CA 1.733 53.807 52.037 0.061 0.000 0.617 439 A CB -0.530 18.492 19.000 0.037 0.000 0.827 439 A HN 0.229 nan 8.150 nan 0.000 0.443 440 N N -1.521 117.217 118.700 0.063 0.000 2.188 440 N HA -0.158 4.583 4.740 0.001 0.000 0.184 440 N C 1.601 177.149 175.510 0.063 0.000 1.018 440 N CA 1.640 54.718 53.050 0.046 0.000 0.858 440 N CB -0.649 37.864 38.487 0.042 0.000 0.989 440 N HN 0.684 nan 8.380 nan 0.000 0.426 441 Y N 1.633 121.922 120.300 -0.019 0.000 2.097 441 Y HA -0.147 4.404 4.550 0.001 0.000 0.282 441 Y C 2.209 178.085 175.900 -0.040 0.000 1.152 441 Y CA 1.538 59.623 58.100 -0.024 0.000 1.136 441 Y CB -0.399 38.052 38.460 -0.015 0.000 0.975 441 Y HN -0.038 nan 8.280 nan 0.000 0.498 442 L N -0.269 121.034 121.223 0.135 0.000 2.056 442 L HA -0.196 4.145 4.340 0.001 0.000 0.207 442 L C 2.835 179.648 176.870 -0.095 0.000 1.078 442 L CA 1.471 56.316 54.840 0.008 0.000 0.749 442 L CB -0.856 41.254 42.059 0.084 0.000 0.901 442 L HN 0.389 nan 8.230 nan 0.000 0.433 443 S N -0.661 115.000 115.700 -0.066 0.000 2.383 443 S HA -0.324 4.147 4.470 0.001 0.000 0.229 443 S C 1.949 176.463 174.600 -0.143 0.000 1.030 443 S CA 1.589 59.726 58.200 -0.106 0.000 1.002 443 S CB -0.464 62.688 63.200 -0.079 0.000 0.829 443 S HN 0.522 nan 8.310 nan 0.000 0.467 444 Q N 0.988 120.703 119.800 -0.142 0.000 2.123 444 Q HA 0.072 4.413 4.340 0.001 0.000 0.199 444 Q C 2.186 178.063 176.000 -0.203 0.000 0.966 444 Q CA 1.186 56.895 55.803 -0.156 0.000 0.845 444 Q CB -0.452 28.201 28.738 -0.141 0.000 0.907 444 Q HN 0.742 nan 8.270 nan 0.000 0.439 445 A N 0.358 123.010 122.820 -0.279 0.000 2.021 445 A HA 0.145 4.465 4.320 0.001 0.000 0.216 445 A C 0.850 178.296 177.584 -0.229 0.000 1.163 445 A CA -0.001 51.854 52.037 -0.303 0.000 0.676 445 A CB -0.074 18.634 19.000 -0.486 0.000 0.818 445 A HN 0.333 nan 8.150 nan 0.000 0.453 446 L N 1.049 122.138 121.223 -0.224 0.000 2.360 446 L HA 0.121 4.462 4.340 0.001 0.000 0.276 446 L C -0.030 176.662 176.870 -0.297 0.000 1.121 446 L CA -0.196 54.509 54.840 -0.225 0.000 0.845 446 L CB 0.861 42.796 42.059 -0.207 0.000 1.143 446 L HN 0.361 nan 8.230 nan 0.000 0.452 447 Q N 3.894 123.531 119.800 -0.272 0.000 2.678 447 Q HA 0.534 4.875 4.340 0.001 0.000 0.222 447 Q C -0.445 175.205 176.000 -0.583 0.000 1.281 447 Q CA -0.242 55.344 55.803 -0.360 0.000 0.994 447 Q CB 0.784 29.471 28.738 -0.084 0.000 1.452 447 Q HN 0.676 nan 8.270 nan 0.000 0.570 448 A N -0.032 122.177 122.820 -1.019 0.000 2.574 448 A HA 0.651 4.971 4.320 0.001 0.000 0.297 448 A C 0.752 177.751 177.584 -0.974 0.000 1.062 448 A CA -0.432 51.124 52.037 -0.802 0.000 0.686 448 A CB 1.092 19.830 19.000 -0.437 0.000 1.285 448 A HN 0.545 nan 8.150 nan 0.000 0.403 449 G N -0.037 108.456 108.800 -0.512 0.000 2.443 449 G HA2 0.313 4.273 3.960 0.001 0.000 0.219 449 G HA3 0.313 4.273 3.960 0.001 0.000 0.219 449 G C 0.492 175.131 174.900 -0.434 0.000 1.131 449 G CA 1.627 46.564 45.100 -0.272 0.000 0.775 449 G HN 0.840 nan 8.290 nan 0.000 0.547 450 T N -0.168 114.031 114.554 -0.592 0.000 2.881 450 T HA 0.514 4.865 4.350 0.001 0.000 0.290 450 T C -1.085 173.151 174.700 -0.773 0.000 1.000 450 T CA -0.389 61.270 62.100 -0.733 0.000 0.978 450 T CB 2.705 70.969 68.868 -1.006 0.000 0.997 450 T HN -0.112 nan 8.240 nan 0.000 0.443 451 V N 3.783 123.310 119.914 -0.646 0.000 2.378 451 V HA 0.442 4.563 4.120 0.001 0.000 0.288 451 V C -0.700 175.137 176.094 -0.429 0.000 1.016 451 V CA -1.024 60.990 62.300 -0.476 0.000 0.840 451 V CB 1.276 32.927 31.823 -0.287 0.000 0.994 451 V HN 0.766 nan 8.190 nan 0.000 0.431 452 W N 3.565 124.741 121.300 -0.208 0.000 2.417 452 W HA 0.619 5.280 4.660 0.001 0.000 0.317 452 W C -0.550 175.872 176.519 -0.161 0.000 1.121 452 W CA -0.716 56.514 57.345 -0.192 0.000 1.208 452 W CB 1.865 31.176 29.460 -0.248 0.000 1.253 452 W HN 0.267 nan 8.180 nan 0.000 0.533 453 V N 4.856 124.808 119.914 0.064 0.000 2.378 453 V HA 0.125 4.245 4.120 0.001 0.000 0.288 453 V C 0.184 176.170 176.094 -0.181 0.000 1.016 453 V CA -0.890 61.368 62.300 -0.071 0.000 0.840 453 V CB 0.967 32.771 31.823 -0.032 0.000 0.994 453 V HN 0.674 nan 8.190 nan 0.000 0.431 454 N N 2.026 120.384 118.700 -0.569 0.000 2.741 454 N HA -0.175 4.565 4.740 0.001 0.000 0.250 454 N C -0.228 175.181 175.510 -0.168 0.000 1.115 454 N CA 1.301 53.961 53.050 -0.649 0.000 0.724 454 N CB -1.202 37.243 38.487 -0.069 0.000 1.090 454 N HN 1.038 nan 8.380 nan 0.000 0.558 455 C N -4.163 114.979 119.300 -0.262 0.000 3.284 455 C HA 0.827 5.287 4.460 0.001 0.000 0.348 455 C C -0.923 174.144 174.990 0.129 0.000 1.448 455 C CA -1.339 57.744 59.018 0.108 0.000 1.223 455 C CB 1.857 29.657 27.740 0.101 0.000 1.588 455 C HN 0.271 nan 8.230 nan 0.000 0.451 456 Y N -0.352 119.815 120.300 -0.222 0.000 2.592 456 Y HA 0.457 5.007 4.550 0.001 0.000 0.334 456 Y C -0.376 174.931 175.900 -0.989 0.000 1.136 456 Y CA 0.298 58.016 58.100 -0.637 0.000 1.042 456 Y CB 1.372 39.771 38.460 -0.101 0.000 1.325 456 Y HN 1.008 nan 8.280 nan 0.000 0.457 457 D N 1.480 120.777 120.400 -1.838 0.000 2.811 457 D HA -0.140 4.501 4.640 0.001 0.000 0.231 457 D C -0.896 175.080 176.300 -0.540 0.000 1.157 457 D CA 0.999 54.461 54.000 -0.896 0.000 0.716 457 D CB -1.115 39.579 40.800 -0.177 0.000 1.077 457 D HN 0.161 nan 8.370 nan 0.000 0.428 458 V N 1.301 120.655 119.914 -0.934 0.000 2.356 458 V HA 0.267 4.387 4.120 0.001 0.000 0.258 458 V C 0.586 176.655 176.094 -0.042 0.000 1.065 458 V CA -0.170 61.984 62.300 -0.244 0.000 0.935 458 V CB -0.201 31.535 31.823 -0.145 0.000 1.061 458 V HN -0.027 nan 8.190 nan 0.000 0.484 459 F N 2.332 122.346 119.950 0.106 0.000 2.470 459 F HA 0.844 5.371 4.527 0.002 0.000 0.329 459 F C 0.809 176.631 175.800 0.036 0.000 1.072 459 F CA -0.541 57.521 58.000 0.104 0.000 0.989 459 F CB 2.136 41.169 39.000 0.056 0.000 1.193 459 F HN 0.499 nan 8.300 nan 0.000 0.481 460 G N -0.044 108.849 108.800 0.155 0.000 2.753 460 G HA2 0.494 4.455 3.960 0.001 0.000 0.295 460 G HA3 0.494 4.455 3.960 0.001 0.000 0.295 460 G C 0.030 174.850 174.900 -0.134 0.000 1.437 460 G CA -0.265 44.841 45.100 0.011 0.000 1.094 460 G HN 0.879 nan 8.290 nan 0.000 0.540 461 A N 1.294 123.965 122.820 -0.248 0.000 2.084 461 A HA -0.114 4.206 4.320 0.001 0.000 0.221 461 A C 2.105 179.084 177.584 -1.009 0.000 1.161 461 A CA 2.121 53.831 52.037 -0.544 0.000 0.653 461 A CB -0.115 18.573 19.000 -0.519 0.000 0.802 461 A HN 0.601 nan 8.150 nan 0.000 0.457 462 Q N -0.152 119.216 119.800 -0.720 0.000 2.269 462 Q HA 0.137 4.478 4.340 0.001 0.000 0.201 462 Q C 0.315 176.235 176.000 -0.133 0.000 0.946 462 Q CA 0.820 56.323 55.803 -0.499 0.000 0.877 462 Q CB 0.155 28.782 28.738 -0.185 0.000 0.963 462 Q HN 0.493 nan 8.270 nan 0.000 0.472 463 S N 1.991 117.627 115.700 -0.106 0.000 2.451 463 S HA 0.444 4.914 4.470 0.001 0.000 0.301 463 S C -2.513 172.078 174.600 -0.015 0.000 1.116 463 S CA -1.447 56.744 58.200 -0.015 0.000 1.093 463 S CB 1.362 64.552 63.200 -0.017 0.000 1.017 463 S HN 0.020 nan 8.310 nan 0.000 0.482 464 P HA 0.318 nan 4.420 nan 0.000 0.272 464 P C -1.000 176.303 177.300 0.005 0.000 1.223 464 P CA -0.264 62.817 63.100 -0.030 0.000 0.784 464 P CB 0.362 31.930 31.700 -0.221 0.000 0.923 465 F N 0.583 120.449 119.950 -0.140 0.000 2.569 465 F HA 0.681 5.209 4.527 0.001 0.000 0.312 465 F C -0.281 175.503 175.800 -0.026 0.000 1.109 465 F CA 0.237 58.187 58.000 -0.083 0.000 0.919 465 F CB 2.213 41.214 39.000 0.001 0.000 1.211 465 F HN 0.664 nan 8.300 nan 0.000 0.446 466 G N 2.060 110.539 108.800 -0.535 0.000 2.338 466 G HA2 0.454 4.415 3.960 0.001 0.000 0.295 466 G HA3 0.454 4.415 3.960 0.001 0.000 0.295 466 G C -1.529 173.206 174.900 -0.275 0.000 1.461 466 G CA -0.238 44.704 45.100 -0.264 0.000 0.817 466 G HN 0.996 nan 8.290 nan 0.000 0.556 467 G N -1.114 107.628 108.800 -0.097 0.000 2.389 467 G HA2 0.571 4.531 3.960 0.001 0.000 0.317 467 G HA3 0.571 4.531 3.960 0.001 0.000 0.317 467 G C -0.980 173.976 174.900 0.092 0.000 1.137 467 G CA -0.367 44.729 45.100 -0.007 0.000 0.870 467 G HN 0.452 nan 8.290 nan 0.000 0.496 468 Y N 0.891 121.131 120.300 -0.101 0.000 2.326 468 Y HA 0.360 4.911 4.550 0.001 0.000 0.324 468 Y C 1.474 177.349 175.900 -0.042 0.000 1.291 468 Y CA -0.355 57.698 58.100 -0.078 0.000 1.348 468 Y CB 1.224 39.631 38.460 -0.087 0.000 1.294 468 Y HN 0.869 nan 8.280 nan 0.000 0.525 469 K N -0.265 120.170 120.400 0.058 0.000 1.844 469 K HA -0.344 3.976 4.320 0.001 0.000 0.160 469 K C 0.617 177.218 176.600 0.001 0.000 1.448 469 K CA 1.854 58.153 56.287 0.019 0.000 0.446 469 K CB -1.064 31.459 32.500 0.038 0.000 0.635 469 K HN 0.682 nan 8.250 nan 0.000 0.848 470 M N 1.095 120.682 119.600 -0.022 0.000 2.581 470 M HA 0.036 4.517 4.480 0.001 0.000 0.224 470 M C 0.721 177.055 176.300 0.055 0.000 1.171 470 M CA 0.384 55.662 55.300 -0.036 0.000 0.993 470 M CB 0.280 32.795 32.600 -0.141 0.000 1.685 470 M HN 0.318 nan 8.290 nan 0.000 0.479 471 S N 0.313 116.092 115.700 0.132 0.000 2.593 471 S HA 0.338 4.809 4.470 0.001 0.000 0.217 471 S C 0.738 175.417 174.600 0.131 0.000 0.966 471 S CA 0.394 58.719 58.200 0.209 0.000 0.914 471 S CB 0.150 63.473 63.200 0.204 0.000 0.776 471 S HN 0.741 nan 8.310 nan 0.000 0.523 472 G N 0.761 109.613 108.800 0.087 0.000 2.359 472 G HA2 0.276 4.237 3.960 0.001 0.000 0.303 472 G HA3 0.276 4.237 3.960 0.001 0.000 0.303 472 G C -1.116 173.799 174.900 0.024 0.000 1.293 472 G CA -0.428 44.715 45.100 0.072 0.000 0.964 472 G HN 0.666 nan 8.290 nan 0.000 0.531 473 S N -1.160 114.551 115.700 0.019 0.000 2.564 473 S HA 1.020 5.491 4.470 0.001 0.000 0.274 473 S C 0.433 175.027 174.600 -0.010 0.000 1.124 473 S CA 0.498 58.686 58.200 -0.020 0.000 0.869 473 S CB 1.593 64.774 63.200 -0.031 0.000 1.105 473 S HN 3.036 nan 8.310 nan 0.000 0.472 474 G N 1.482 110.263 108.800 -0.031 0.000 2.795 474 G HA2 0.091 4.051 3.960 0.001 0.000 0.664 474 G HA3 0.091 4.051 3.960 0.001 0.000 0.664 474 G C -1.373 173.528 174.900 0.002 0.000 1.381 474 G CA -0.937 44.156 45.100 -0.013 0.000 0.853 474 G HN 0.843 nan 8.290 nan 0.000 0.545 475 R N 0.321 120.838 120.500 0.029 0.000 2.673 475 R HA 0.523 4.864 4.340 0.001 0.000 0.281 475 R C -0.154 176.198 176.300 0.085 0.000 0.991 475 R CA -0.729 55.393 56.100 0.036 0.000 0.896 475 R CB 1.931 32.222 30.300 -0.015 0.000 1.201 475 R HN 0.779 nan 8.270 nan 0.000 0.457 476 E N 2.101 122.351 120.200 0.084 0.000 2.243 476 E HA 0.601 4.952 4.350 0.001 0.000 0.260 476 E C -0.138 176.440 176.600 -0.035 0.000 0.985 476 E CA -0.979 55.444 56.400 0.037 0.000 0.858 476 E CB 1.471 31.179 29.700 0.014 0.000 1.210 476 E HN 0.311 nan 8.360 nan 0.000 0.411 477 L N -0.559 120.653 121.223 -0.018 0.000 0.585 477 L HA -0.275 4.066 4.340 0.001 0.000 0.356 477 L C 0.635 177.611 176.870 0.178 0.000 0.973 477 L CA 0.743 55.589 54.840 0.010 0.000 1.223 477 L CB -1.528 40.367 42.059 -0.272 0.000 0.012 477 L HN 1.034 nan 8.230 nan 0.000 0.091 478 G N 0.252 109.120 108.800 0.113 0.000 2.749 478 G HA2 -0.296 3.665 3.960 0.001 0.000 0.242 478 G HA3 -0.296 3.665 3.960 0.001 0.000 0.242 478 G C 0.433 175.584 174.900 0.418 0.000 1.364 478 G CA 0.912 46.210 45.100 0.329 0.000 0.888 478 G HN 1.175 nan 8.290 nan 0.000 0.566 479 E N -1.028 119.360 120.200 0.314 0.000 2.153 479 E HA -0.130 4.221 4.350 0.001 0.000 0.194 479 E C 2.144 178.560 176.600 -0.307 0.000 0.988 479 E CA 1.820 58.046 56.400 -0.289 0.000 0.811 479 E CB -0.163 29.413 29.700 -0.206 0.000 0.746 479 E HN 0.630 nan 8.360 nan 0.000 0.466 480 Y N -0.150 120.133 120.300 -0.029 0.000 2.256 480 Y HA -0.103 4.448 4.550 0.001 0.000 0.288 480 Y C 2.454 178.330 175.900 -0.040 0.000 1.155 480 Y CA 1.131 59.216 58.100 -0.026 0.000 1.203 480 Y CB -0.712 37.754 38.460 0.011 0.000 0.980 480 Y HN 0.165 nan 8.280 nan 0.000 0.530 481 G N -0.116 108.781 108.800 0.161 0.000 2.501 481 G HA2 -0.181 3.779 3.960 0.001 0.000 0.220 481 G HA3 -0.181 3.779 3.960 0.001 0.000 0.220 481 G C 1.431 176.326 174.900 -0.010 0.000 1.114 481 G CA 0.851 46.020 45.100 0.115 0.000 0.757 481 G HN 0.414 nan 8.290 nan 0.000 0.559 482 L N -0.556 120.537 121.223 -0.217 0.000 2.341 482 L HA 0.059 4.400 4.340 0.001 0.000 0.214 482 L C 2.902 179.622 176.870 -0.250 0.000 1.115 482 L CA 0.270 54.861 54.840 -0.416 0.000 0.820 482 L CB -0.311 41.079 42.059 -1.115 0.000 0.944 482 L HN 0.216 nan 8.230 nan 0.000 0.452 483 Q N 0.739 120.456 119.800 -0.138 0.000 2.061 483 Q HA -0.199 4.142 4.340 0.001 0.000 0.204 483 Q C 2.413 178.388 176.000 -0.042 0.000 0.984 483 Q CA 1.798 57.584 55.803 -0.029 0.000 0.846 483 Q CB -0.306 28.439 28.738 0.012 0.000 0.902 483 Q HN 0.571 nan 8.270 nan 0.000 0.421 484 A N -0.247 122.529 122.820 -0.072 0.000 2.168 484 A HA -0.109 4.212 4.320 0.001 0.000 0.215 484 A C 0.901 178.247 177.584 -0.395 0.000 1.152 484 A CA 0.795 52.694 52.037 -0.230 0.000 0.716 484 A CB -0.280 18.536 19.000 -0.306 0.000 0.794 484 A HN 0.394 nan 8.150 nan 0.000 0.465 485 Y N -0.311 119.942 120.300 -0.079 0.000 2.555 485 Y HA 0.206 4.757 4.550 0.001 0.000 0.259 485 Y C 0.289 176.167 175.900 -0.036 0.000 1.179 485 Y CA 0.079 58.140 58.100 -0.066 0.000 1.230 485 Y CB 0.443 38.847 38.460 -0.093 0.000 1.146 485 Y HN 0.054 nan 8.280 nan 0.000 0.526 486 T N 0.247 114.831 114.554 0.050 0.000 2.829 486 T HA 0.355 4.705 4.350 0.001 0.000 0.280 486 T C -0.881 173.821 174.700 0.004 0.000 0.999 486 T CA -0.680 61.455 62.100 0.057 0.000 0.983 486 T CB 1.938 70.853 68.868 0.079 0.000 0.968 486 T HN -0.073 nan 8.240 nan 0.000 0.446 487 E N 2.093 122.314 120.200 0.034 0.000 2.151 487 E HA 0.514 4.864 4.350 0.001 0.000 0.275 487 E C -1.040 175.576 176.600 0.027 0.000 0.936 487 E CA -0.563 55.849 56.400 0.020 0.000 0.777 487 E CB 1.006 30.734 29.700 0.048 0.000 1.108 487 E HN 0.327 nan 8.360 nan 0.000 0.401 488 V N 5.215 125.129 119.914 -0.001 0.000 2.465 488 V HA 0.342 4.463 4.120 0.001 0.000 0.279 488 V C 0.036 176.148 176.094 0.030 0.000 1.045 488 V CA -0.499 61.819 62.300 0.031 0.000 0.938 488 V CB 1.222 33.043 31.823 -0.003 0.000 0.986 488 V HN 0.575 nan 8.190 nan 0.000 0.467 489 K N 3.143 123.570 120.400 0.045 0.000 2.376 489 K HA 0.520 4.841 4.320 0.001 0.000 0.257 489 K C -0.702 175.862 176.600 -0.060 0.000 0.939 489 K CA -0.380 55.902 56.287 -0.007 0.000 0.809 489 K CB 1.703 34.205 32.500 0.003 0.000 1.121 489 K HN 0.690 nan 8.250 nan 0.000 0.425 490 T N 2.831 117.318 114.554 -0.112 0.000 2.806 490 T HA 0.303 4.654 4.350 0.001 0.000 0.290 490 T C -0.659 173.857 174.700 -0.307 0.000 0.966 490 T CA -0.519 61.460 62.100 -0.201 0.000 1.060 490 T CB 1.237 70.007 68.868 -0.164 0.000 0.927 490 T HN 0.307 nan 8.240 nan 0.000 0.485 491 V N 3.760 123.334 119.914 -0.567 0.000 2.444 491 V HA 0.469 4.590 4.120 0.001 0.000 0.294 491 V C 0.025 175.711 176.094 -0.680 0.000 1.022 491 V CA -0.700 61.199 62.300 -0.668 0.000 0.850 491 V CB 1.907 33.131 31.823 -0.997 0.000 0.992 491 V HN 0.969 nan 8.190 nan 0.000 0.426 492 T N 4.616 118.945 114.554 -0.374 0.000 2.833 492 T HA 0.515 4.866 4.350 0.001 0.000 0.297 492 T C -0.443 174.213 174.700 -0.073 0.000 1.015 492 T CA -0.311 61.639 62.100 -0.250 0.000 0.963 492 T CB 1.326 70.034 68.868 -0.266 0.000 0.955 492 T HN 0.324 nan 8.240 nan 0.000 0.449 493 V N 4.126 124.075 119.914 0.058 0.000 2.417 493 V HA 0.421 4.542 4.120 0.001 0.000 0.291 493 V C 0.501 176.793 176.094 0.331 0.000 1.024 493 V CA -1.134 61.277 62.300 0.184 0.000 0.861 493 V CB 1.659 33.618 31.823 0.226 0.000 0.985 493 V HN 0.716 nan 8.190 nan 0.000 0.436 494 K N 3.871 124.446 120.400 0.291 0.000 2.447 494 K HA 0.345 4.666 4.320 0.001 0.000 0.281 494 K C -0.426 176.208 176.600 0.057 0.000 1.031 494 K CA -0.106 56.273 56.287 0.153 0.000 1.019 494 K CB 0.717 33.282 32.500 0.108 0.000 0.918 494 K HN 0.676 nan 8.250 nan 0.000 0.476 495 V N 2.235 122.119 119.914 -0.051 0.000 2.864 495 V HA 0.400 4.520 4.120 0.001 0.000 0.314 495 V C -2.100 173.943 176.094 -0.085 0.000 1.073 495 V CA -1.915 60.370 62.300 -0.026 0.000 0.956 495 V CB 1.348 33.181 31.823 0.017 0.000 1.023 495 V HN 0.668 nan 8.190 nan 0.000 0.435 496 P HA -0.069 nan 4.420 nan 0.000 0.215 496 P C 0.123 177.380 177.300 -0.072 0.000 1.157 496 P CA 1.280 64.345 63.100 -0.058 0.000 0.868 496 P CB 0.165 31.842 31.700 -0.038 0.000 0.788 497 Q N -0.995 118.767 119.800 -0.065 0.000 2.371 497 Q HA 0.146 4.487 4.340 0.001 0.000 0.244 497 Q C -1.021 174.949 176.000 -0.050 0.000 0.882 497 Q CA -0.694 55.072 55.803 -0.062 0.000 0.866 497 Q CB 1.123 29.833 28.738 -0.046 0.000 1.399 497 Q HN -0.202 nan 8.270 nan 0.000 0.432 498 K N 3.570 123.939 120.400 -0.051 0.000 2.368 498 K HA 0.235 4.555 4.320 0.001 0.000 0.282 498 K C -1.074 175.517 176.600 -0.014 0.000 1.035 498 K CA 0.388 56.663 56.287 -0.020 0.000 0.973 498 K CB 0.494 32.994 32.500 0.000 0.000 0.957 498 K HN 0.682 nan 8.250 nan 0.000 0.474 499 N N 1.354 120.047 118.700 -0.012 0.000 2.229 499 N HA 0.108 4.848 4.740 0.001 0.000 0.298 499 N C -0.557 174.950 175.510 -0.005 0.000 1.114 499 N CA -0.461 52.583 53.050 -0.011 0.000 0.776 499 N CB 1.813 40.288 38.487 -0.021 0.000 1.501 499 N HN 0.675 nan 8.380 nan 0.000 0.474 500 S N 0.000 115.700 115.700 -0.001 0.000 2.498 500 S HA 0.000 4.471 4.470 0.001 0.000 0.327 500 S CA 0.000 58.201 58.200 0.002 0.000 1.107 500 S CB 0.000 63.202 63.200 0.004 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517