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 1rxx_1_C DATA FIRST_RESID 6 DATA SEQUENCE TKLGVHSEAG KLRKVXVCSP GLAHQRLTPS NCDELLFDDV IWVNQAKRDH DATA SEQUENCE FDFVTKXRER GIDVLEXHNL LTETIQNPEA LKWILDRKIT ADSVGLGLTS DATA SEQUENCE ELRSWLESLE PRKLAEYLIG GVAADDLPAS EGANILKXYR EYLGHSSFLL DATA SEQUENCE PPLPNTQFTR DTTCWIYGGV TLNPXYWPAR RQETLLTTAI YKFHPEFANA DATA SEQUENCE EFEIWYGDPD KDHGSSTLEG GDVXPIGNGV VLIGXGERSS RQAIGQVAQS DATA SEQUENCE LFAKGAAERV IVAGLPKSRA AXHLDTVFSF CDRDLVTVFP EVVKEIVPFS DATA SEQUENCE LRPDPSSPYG XNIRREEKTF LEVVAESLGL KKLRVVETGG NSFAAEXEQW DATA SEQUENCE DDGNNVVCLE PGVVVGYDRN TYTNTLLRKA GVEVITISAS ELGRGRGGGH DATA SEQUENCE CXTCPIVRDP IDY 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 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.699 174.700 -0.002 0.000 1.109 6 T CA 0.000 62.094 62.100 -0.010 0.000 1.349 6 T CB 0.000 68.866 68.868 -0.003 0.000 0.612 7 K N 0.662 121.082 120.400 0.033 0.000 2.237 7 K HA 0.526 4.858 4.320 0.022 0.000 0.270 7 K C 0.204 176.840 176.600 0.059 0.000 1.015 7 K CA -0.693 55.632 56.287 0.062 0.000 0.949 7 K CB 0.461 33.026 32.500 0.109 0.000 0.976 7 K HN 0.382 nan 8.250 nan 0.000 0.472 8 L N 1.641 122.880 121.223 0.027 0.000 2.529 8 L HA 0.109 4.462 4.340 0.022 0.000 0.287 8 L C 0.782 177.667 176.870 0.025 0.000 1.241 8 L CA 0.467 55.242 54.840 -0.107 0.000 0.857 8 L CB -0.071 41.868 42.059 -0.200 0.000 1.113 8 L HN 0.909 nan 8.230 nan 0.000 0.504 9 G N 1.924 110.669 108.800 -0.091 0.000 2.343 9 G HA2 0.274 4.246 3.960 0.022 0.000 0.298 9 G HA3 0.274 4.246 3.960 0.022 0.000 0.298 9 G C -1.824 172.993 174.900 -0.138 0.000 1.644 9 G CA -0.838 44.271 45.100 0.016 0.000 0.958 9 G HN 0.346 nan 8.290 nan 0.000 0.702 10 V N 3.018 122.791 119.914 -0.236 0.000 2.409 10 V HA 0.508 4.641 4.120 0.022 0.000 0.291 10 V C 0.126 175.965 176.094 -0.425 0.000 1.020 10 V CA -0.728 61.451 62.300 -0.201 0.000 0.848 10 V CB 1.558 33.346 31.823 -0.058 0.000 0.990 10 V HN 0.872 nan 8.190 nan 0.000 0.430 11 H N 2.771 121.877 119.070 0.060 0.000 2.592 11 H HA 0.395 4.964 4.556 0.022 0.000 0.279 11 H C 0.562 175.963 175.328 0.121 0.000 1.089 11 H CA 0.583 56.732 56.048 0.169 0.000 1.150 11 H CB 1.096 31.014 29.762 0.259 0.000 1.575 11 H HN 0.749 nan 8.280 nan 0.000 0.547 12 S N -0.931 114.804 115.700 0.059 0.000 2.660 12 S HA 0.142 4.625 4.470 0.022 0.000 0.264 12 S C 0.082 174.658 174.600 -0.039 0.000 1.131 12 S CA -0.809 57.410 58.200 0.030 0.000 0.846 12 S CB 2.125 65.385 63.200 0.099 0.000 1.151 12 S HN -0.020 nan 8.310 nan 0.000 0.486 13 E N -0.010 120.120 120.200 -0.117 0.000 2.340 13 E HA 0.331 4.694 4.350 0.022 0.000 0.198 13 E C 1.658 178.253 176.600 -0.009 0.000 0.961 13 E CA 1.012 57.373 56.400 -0.065 0.000 0.905 13 E CB 0.445 30.051 29.700 -0.157 0.000 0.884 13 E HN 0.701 nan 8.360 nan 0.000 0.491 14 A N 1.021 123.817 122.820 -0.040 0.000 2.169 14 A HA 0.322 4.655 4.320 0.022 0.000 0.210 14 A C 1.451 179.040 177.584 0.007 0.000 1.168 14 A CA 0.586 52.630 52.037 0.011 0.000 0.813 14 A CB -0.167 18.848 19.000 0.025 0.000 0.861 14 A HN 0.151 nan 8.150 nan 0.000 0.481 15 G N 0.034 108.838 108.800 0.007 0.000 2.750 15 G HA2 0.292 4.265 3.960 0.022 0.000 0.250 15 G HA3 0.292 4.265 3.960 0.022 0.000 0.250 15 G C 0.087 174.988 174.900 0.002 0.000 1.230 15 G CA -0.174 44.929 45.100 0.005 0.000 0.883 15 G HN 0.381 nan 8.290 nan 0.000 0.573 16 K N -0.246 120.150 120.400 -0.006 0.000 2.402 16 K HA 0.092 4.425 4.320 0.022 0.000 0.279 16 K C -0.020 176.570 176.600 -0.016 0.000 1.082 16 K CA -0.274 56.004 56.287 -0.015 0.000 1.080 16 K CB 0.089 32.577 32.500 -0.021 0.000 0.899 16 K HN 0.219 nan 8.250 nan 0.000 0.469 17 L N 5.412 126.620 121.223 -0.026 0.000 2.410 17 L HA 0.205 4.558 4.340 0.022 0.000 0.273 17 L C 0.597 177.433 176.870 -0.058 0.000 1.144 17 L CA 0.854 55.669 54.840 -0.041 0.000 0.863 17 L CB 0.612 42.643 42.059 -0.048 0.000 1.140 17 L HN 0.835 nan 8.230 nan 0.000 0.463 18 R N 2.837 123.296 120.500 -0.068 0.000 2.310 18 R HA 0.246 4.598 4.340 0.022 0.000 0.199 18 R C -0.167 176.071 176.300 -0.103 0.000 0.891 18 R CA -0.085 55.968 56.100 -0.078 0.000 1.060 18 R CB 0.612 30.872 30.300 -0.067 0.000 1.188 18 R HN 0.476 nan 8.270 nan 0.000 0.607 19 K N 1.491 121.816 120.400 -0.125 0.000 2.535 19 K HA 0.349 4.681 4.320 0.022 0.000 0.250 19 K C -1.201 175.311 176.600 -0.147 0.000 0.948 19 K CA -0.471 55.727 56.287 -0.148 0.000 0.796 19 K CB 1.994 34.377 32.500 -0.196 0.000 1.216 19 K HN -0.092 nan 8.250 nan 0.000 0.432 23 C N 1.885 121.286 119.300 0.168 0.000 2.481 23 C HA 0.831 5.303 4.460 0.022 0.000 0.324 23 C C 0.269 175.100 174.990 -0.264 0.000 1.170 23 C CA 0.550 59.584 59.018 0.027 0.000 1.361 23 C CB 0.797 28.532 27.740 -0.007 0.000 1.977 23 C HN 1.646 nan 8.230 nan 0.000 0.459 24 S N 5.534 121.087 115.700 -0.246 0.000 2.584 24 S HA 0.582 5.065 4.470 0.022 0.000 0.273 24 S C -2.423 171.987 174.600 -0.317 0.000 1.311 24 S CA -0.643 57.225 58.200 -0.554 0.000 1.034 24 S CB 0.821 63.886 63.200 -0.226 0.000 0.939 24 S HN 0.698 nan 8.310 nan 0.000 0.513 25 P HA 0.369 nan 4.420 nan 0.000 0.269 25 P C 0.242 177.367 177.300 -0.291 0.000 1.217 25 P CA 0.142 62.847 63.100 -0.658 0.000 0.783 25 P CB 0.566 31.803 31.700 -0.771 0.000 0.898 26 G N -0.005 108.771 108.800 -0.040 0.000 2.635 26 G HA2 0.145 4.118 3.960 0.022 0.000 0.194 26 G HA3 0.145 4.118 3.960 0.022 0.000 0.194 26 G C 0.082 175.011 174.900 0.050 0.000 1.198 26 G CA -0.379 44.689 45.100 -0.053 0.000 0.972 26 G HN 0.479 nan 8.290 nan 0.000 0.520 27 L N 1.223 122.445 121.223 -0.003 0.000 2.129 27 L HA 0.098 4.451 4.340 0.022 0.000 0.212 27 L C 2.905 179.758 176.870 -0.030 0.000 1.087 27 L CA 3.221 58.050 54.840 -0.019 0.000 0.757 27 L CB -0.759 41.264 42.059 -0.060 0.000 0.896 27 L HN 0.708 nan 8.230 nan 0.000 0.434 28 A N -1.215 121.579 122.820 -0.043 0.000 1.902 28 A HA -0.231 4.102 4.320 0.022 0.000 0.217 28 A C 2.132 179.491 177.584 -0.375 0.000 1.181 28 A CA 1.799 53.686 52.037 -0.250 0.000 0.623 28 A CB -0.955 17.830 19.000 -0.358 0.000 0.818 28 A HN 0.734 nan 8.150 nan 0.000 0.443 29 H N -0.758 118.190 119.070 -0.203 0.000 2.502 29 H HA -0.012 4.557 4.556 0.022 0.000 0.283 29 H C 1.831 177.109 175.328 -0.085 0.000 1.015 29 H CA 1.211 57.136 56.048 -0.205 0.000 1.298 29 H CB -0.021 29.616 29.762 -0.208 0.000 1.411 29 H HN 0.668 nan 8.280 nan 0.000 0.556 30 Q N 0.725 120.549 119.800 0.040 0.000 2.291 30 Q HA -0.034 4.319 4.340 0.022 0.000 0.205 30 Q C 1.734 177.760 176.000 0.042 0.000 0.970 30 Q CA 0.607 56.438 55.803 0.046 0.000 0.876 30 Q CB 0.186 28.943 28.738 0.032 0.000 0.935 30 Q HN 0.427 nan 8.270 nan 0.000 0.455 31 R N -0.189 120.311 120.500 -0.001 0.000 2.312 31 R HA 0.178 4.531 4.340 0.022 0.000 0.205 31 R C 0.185 176.542 176.300 0.094 0.000 0.904 31 R CA -0.143 55.989 56.100 0.054 0.000 1.052 31 R CB 0.249 30.505 30.300 -0.073 0.000 1.014 31 R HN 0.133 nan 8.270 nan 0.000 0.503 32 L N 1.172 122.412 121.223 0.029 0.000 2.485 32 L HA 0.054 4.407 4.340 0.022 0.000 0.275 32 L C 0.364 177.293 176.870 0.097 0.000 1.207 32 L CA 0.727 55.602 54.840 0.058 0.000 0.855 32 L CB 0.765 42.848 42.059 0.039 0.000 1.114 32 L HN -0.086 nan 8.230 nan 0.000 0.485 33 T N 2.797 117.413 114.554 0.105 0.000 2.909 33 T HA 0.303 4.666 4.350 0.022 0.000 0.299 33 T C -1.996 172.752 174.700 0.081 0.000 1.073 33 T CA -1.090 61.063 62.100 0.087 0.000 0.999 33 T CB 2.257 71.175 68.868 0.083 0.000 1.098 33 T HN 0.257 nan 8.240 nan 0.000 0.477 34 P HA -0.105 nan 4.420 nan 0.000 0.218 34 P C 1.238 178.566 177.300 0.047 0.000 1.146 34 P CA 0.975 64.109 63.100 0.057 0.000 0.813 34 P CB 0.219 31.943 31.700 0.041 0.000 0.778 35 S N -1.639 114.086 115.700 0.041 0.000 2.517 35 S HA 0.016 4.499 4.470 0.022 0.000 0.214 35 S C 1.411 176.031 174.600 0.034 0.000 0.991 35 S CA 0.174 58.392 58.200 0.029 0.000 0.906 35 S CB -0.944 62.266 63.200 0.017 0.000 0.789 35 S HN 0.148 nan 8.310 nan 0.000 0.513 36 N N 0.339 119.073 118.700 0.056 0.000 2.236 36 N HA 0.191 4.944 4.740 0.022 0.000 0.196 36 N C 1.237 176.797 175.510 0.084 0.000 1.114 36 N CA 0.008 53.101 53.050 0.071 0.000 0.859 36 N CB -1.196 37.360 38.487 0.115 0.000 0.982 36 N HN 0.307 nan 8.380 nan 0.000 0.493 37 C N 1.015 120.368 119.300 0.087 0.000 2.388 37 C HA -0.119 4.354 4.460 0.022 0.000 0.277 37 C C 2.017 177.058 174.990 0.085 0.000 1.210 37 C CA 1.295 60.382 59.018 0.114 0.000 1.743 37 C CB -0.672 27.140 27.740 0.121 0.000 2.047 37 C HN 0.489 nan 8.230 nan 0.000 0.458 38 D N 0.338 120.761 120.400 0.038 0.000 2.117 38 D HA -0.142 4.511 4.640 0.022 0.000 0.197 38 D C 2.058 178.326 176.300 -0.055 0.000 0.987 38 D CA 1.578 55.573 54.000 -0.008 0.000 0.829 38 D CB -0.737 40.051 40.800 -0.020 0.000 0.961 38 D HN 0.793 nan 8.370 nan 0.000 0.460 39 E N 0.172 120.350 120.200 -0.037 0.000 2.347 39 E HA -0.117 4.246 4.350 0.022 0.000 0.196 39 E C 1.251 177.820 176.600 -0.051 0.000 1.008 39 E CA 0.415 56.773 56.400 -0.070 0.000 0.852 39 E CB -0.017 29.662 29.700 -0.035 0.000 0.783 39 E HN 0.098 nan 8.360 nan 0.000 0.505 40 L N 1.178 122.409 121.223 0.012 0.000 2.653 40 L HA 0.263 4.616 4.340 0.022 0.000 0.231 40 L C 0.354 177.266 176.870 0.069 0.000 1.153 40 L CA 0.086 54.950 54.840 0.040 0.000 0.933 40 L CB -0.638 41.459 42.059 0.063 0.000 1.175 40 L HN 0.247 nan 8.230 nan 0.000 0.473 41 L N -1.396 119.831 121.223 0.007 0.000 3.660 41 L HA -0.285 4.068 4.340 0.022 0.000 0.440 41 L C -0.262 176.723 176.870 0.192 0.000 1.262 41 L CA 0.438 55.289 54.840 0.018 0.000 0.837 41 L CB -2.106 39.940 42.059 -0.021 0.000 1.689 41 L HN 0.102 nan 8.230 nan 0.000 0.890 42 F N -0.505 119.464 119.950 0.032 0.000 2.576 42 F HA 0.369 4.909 4.527 0.022 0.000 0.313 42 F C 1.353 177.199 175.800 0.076 0.000 1.078 42 F CA -0.702 57.349 58.000 0.086 0.000 0.921 42 F CB 1.325 40.366 39.000 0.068 0.000 1.232 42 F HN -0.095 nan 8.300 nan 0.000 0.459 43 D N 1.161 121.376 120.400 -0.309 0.000 2.084 43 D HA -0.080 4.573 4.640 0.022 0.000 0.196 43 D C 0.031 176.342 176.300 0.018 0.000 0.985 43 D CA 1.628 55.555 54.000 -0.122 0.000 0.826 43 D CB 0.241 40.941 40.800 -0.166 0.000 0.978 43 D HN 0.446 nan 8.370 nan 0.000 0.456 44 D N -1.374 119.088 120.400 0.105 0.000 2.759 44 D HA 0.190 4.843 4.640 0.022 0.000 0.321 44 D C -1.104 175.364 176.300 0.280 0.000 1.267 44 D CA -0.593 53.508 54.000 0.168 0.000 0.933 44 D CB 2.453 43.315 40.800 0.104 0.000 1.431 44 D HN -0.321 nan 8.370 nan 0.000 0.504 45 V N 2.202 122.236 119.914 0.200 0.000 2.530 45 V HA 0.310 4.443 4.120 0.022 0.000 0.282 45 V C 0.553 176.775 176.094 0.214 0.000 1.048 45 V CA -0.169 62.251 62.300 0.200 0.000 0.997 45 V CB 0.659 32.563 31.823 0.135 0.000 0.987 45 V HN 0.319 nan 8.190 nan 0.000 0.477 46 I N 1.018 121.738 120.570 0.250 0.000 2.863 46 I HA 0.541 4.724 4.170 0.022 0.000 0.311 46 I C -0.755 175.530 176.117 0.280 0.000 1.026 46 I CA -0.956 60.496 61.300 0.254 0.000 1.077 46 I CB 1.700 39.858 38.000 0.263 0.000 1.262 46 I HN 0.641 nan 8.210 nan 0.000 0.461 47 W N 4.950 126.284 121.300 0.058 0.000 2.430 47 W HA 0.407 5.079 4.660 0.020 0.000 0.380 47 W C 0.468 176.999 176.519 0.019 0.000 1.045 47 W CA -1.126 56.241 57.345 0.035 0.000 1.547 47 W CB -0.146 29.331 29.460 0.029 0.000 1.554 47 W HN 0.470 nan 8.180 nan 0.000 0.378 48 V N 4.792 124.813 119.914 0.178 0.000 2.231 48 V HA -0.428 3.705 4.120 0.022 0.000 0.248 48 V C 2.279 178.278 176.094 -0.158 0.000 1.054 48 V CA 2.402 64.699 62.300 -0.005 0.000 1.015 48 V CB -0.747 31.101 31.823 0.041 0.000 0.638 48 V HN 0.488 nan 8.190 nan 0.000 0.444 49 N N -0.142 118.448 118.700 -0.184 0.000 2.205 49 N HA -0.204 4.549 4.740 0.022 0.000 0.186 49 N C 1.902 177.115 175.510 -0.495 0.000 1.015 49 N CA 1.602 54.485 53.050 -0.280 0.000 0.862 49 N CB -0.399 37.990 38.487 -0.163 0.000 0.986 49 N HN 0.588 nan 8.380 nan 0.000 0.429 50 Q N 0.762 120.002 119.800 -0.933 0.000 2.123 50 Q HA 0.170 4.523 4.340 0.022 0.000 0.199 50 Q C 1.831 177.597 176.000 -0.390 0.000 0.966 50 Q CA 1.417 56.682 55.803 -0.897 0.000 0.845 50 Q CB -0.447 27.381 28.738 -1.516 0.000 0.907 50 Q HN 0.303 nan 8.270 nan 0.000 0.439 51 A N 0.754 123.414 122.820 -0.266 0.000 1.933 51 A HA -0.203 4.130 4.320 0.022 0.000 0.218 51 A C 1.969 179.506 177.584 -0.078 0.000 1.175 51 A CA 1.644 53.608 52.037 -0.122 0.000 0.628 51 A CB -0.441 18.488 19.000 -0.117 0.000 0.814 51 A HN 0.357 nan 8.150 nan 0.000 0.444 52 K N -0.571 119.753 120.400 -0.126 0.000 2.057 52 K HA -0.130 4.203 4.320 0.022 0.000 0.207 52 K C 2.256 178.876 176.600 0.033 0.000 1.049 52 K CA 1.485 57.737 56.287 -0.059 0.000 0.931 52 K CB -0.217 32.210 32.500 -0.122 0.000 0.714 52 K HN 0.428 nan 8.250 nan 0.000 0.440 53 R N 0.779 121.254 120.500 -0.042 0.000 2.115 53 R HA -0.101 4.252 4.340 0.022 0.000 0.230 53 R C 1.715 178.076 176.300 0.101 0.000 1.111 53 R CA 1.311 57.430 56.100 0.031 0.000 0.976 53 R CB -0.115 30.146 30.300 -0.064 0.000 0.870 53 R HN 0.227 nan 8.270 nan 0.000 0.445 54 D N -0.661 119.767 120.400 0.047 0.000 2.194 54 D HA -0.137 4.516 4.640 0.022 0.000 0.204 54 D C 1.752 178.138 176.300 0.143 0.000 0.964 54 D CA 0.979 55.024 54.000 0.075 0.000 0.846 54 D CB -0.260 40.564 40.800 0.040 0.000 0.962 54 D HN 0.331 nan 8.370 nan 0.000 0.490 55 H N -0.258 118.864 119.070 0.087 0.000 2.389 55 H HA -0.106 4.463 4.556 0.022 0.000 0.299 55 H C 1.939 177.392 175.328 0.209 0.000 1.081 55 H CA 0.833 56.973 56.048 0.153 0.000 1.345 55 H CB -0.261 29.558 29.762 0.094 0.000 1.393 55 H HN 0.124 nan 8.280 nan 0.000 0.520 56 F N 1.443 121.459 119.950 0.110 0.000 2.216 56 F HA -0.191 4.348 4.527 0.021 0.000 0.300 56 F C 2.285 178.090 175.800 0.010 0.000 1.085 56 F CA 1.792 59.818 58.000 0.043 0.000 1.326 56 F CB -0.105 38.908 39.000 0.021 0.000 1.027 56 F HN 0.206 nan 8.300 nan 0.000 0.497 57 D N -0.357 120.018 120.400 -0.041 0.000 2.117 57 D HA -0.264 4.389 4.640 0.022 0.000 0.198 57 D C 2.086 178.324 176.300 -0.104 0.000 0.982 57 D CA 1.328 55.261 54.000 -0.112 0.000 0.828 57 D CB -0.424 40.389 40.800 0.022 0.000 0.967 57 D HN 0.299 nan 8.370 nan 0.000 0.464 58 F N 0.618 120.438 119.950 -0.217 0.000 2.102 58 F HA -0.124 4.417 4.527 0.023 0.000 0.298 58 F C 2.076 177.704 175.800 -0.286 0.000 1.105 58 F CA 0.994 58.855 58.000 -0.231 0.000 1.239 58 F CB -0.708 38.131 39.000 -0.268 0.000 0.991 58 F HN -0.093 nan 8.300 nan 0.000 0.474 59 V N -0.195 119.468 119.914 -0.418 0.000 2.343 59 V HA -0.321 3.812 4.120 0.022 0.000 0.247 59 V C 2.371 178.187 176.094 -0.463 0.000 1.051 59 V CA 2.430 64.436 62.300 -0.491 0.000 1.036 59 V CB -1.110 30.530 31.823 -0.305 0.000 0.654 59 V HN 0.423 nan 8.190 nan 0.000 0.451 60 T N -0.774 113.459 114.554 -0.535 0.000 2.821 60 T HA -0.080 4.283 4.350 0.022 0.000 0.267 60 T C 1.055 175.583 174.700 -0.288 0.000 1.046 60 T CA 0.911 62.736 62.100 -0.459 0.000 1.139 60 T CB -0.065 68.465 68.868 -0.562 0.000 0.871 60 T HN 0.473 nan 8.240 nan 0.000 0.454 64 E N 0.851 120.975 120.200 -0.127 0.000 2.204 64 E HA -0.097 4.266 4.350 0.022 0.000 0.195 64 E C 0.805 177.358 176.600 -0.079 0.000 0.990 64 E CA 0.958 57.301 56.400 -0.094 0.000 0.821 64 E CB 0.157 29.803 29.700 -0.090 0.000 0.750 64 E HN 0.228 nan 8.360 nan 0.000 0.477 65 R N -0.713 119.734 120.500 -0.088 0.000 2.426 65 R HA 0.133 4.486 4.340 0.022 0.000 0.263 65 R C 0.969 177.228 176.300 -0.069 0.000 0.961 65 R CA 0.474 56.531 56.100 -0.072 0.000 1.086 65 R CB 0.800 31.056 30.300 -0.073 0.000 1.186 65 R HN 0.204 nan 8.270 nan 0.000 0.537 66 G N 1.460 110.217 108.800 -0.072 0.000 2.225 66 G HA2 -0.281 3.692 3.960 0.022 0.000 0.254 66 G HA3 -0.281 3.692 3.960 0.022 0.000 0.254 66 G C 0.340 175.194 174.900 -0.076 0.000 0.988 66 G CA -0.285 44.775 45.100 -0.066 0.000 0.625 66 G HN 0.267 nan 8.290 nan 0.000 0.527 67 I N 1.621 122.136 120.570 -0.092 0.000 2.648 67 I HA 0.215 4.398 4.170 0.022 0.000 0.284 67 I C 0.309 176.362 176.117 -0.107 0.000 1.153 67 I CA -0.113 61.126 61.300 -0.103 0.000 1.426 67 I CB 0.643 38.567 38.000 -0.125 0.000 1.381 67 I HN 0.088 nan 8.210 nan 0.000 0.571 68 D N 6.510 126.849 120.400 -0.101 0.000 2.347 68 D HA 0.267 4.920 4.640 0.022 0.000 0.235 68 D C -0.794 175.445 176.300 -0.103 0.000 1.149 68 D CA -0.173 53.769 54.000 -0.096 0.000 0.850 68 D CB 1.016 41.759 40.800 -0.096 0.000 1.061 68 D HN 0.094 nan 8.370 nan 0.000 0.487 69 V N 5.611 125.466 119.914 -0.098 0.000 2.370 69 V HA 0.310 4.443 4.120 0.022 0.000 0.279 69 V C 0.299 176.365 176.094 -0.047 0.000 1.029 69 V CA -0.720 61.524 62.300 -0.095 0.000 0.870 69 V CB 1.134 32.874 31.823 -0.139 0.000 0.984 69 V HN 0.472 nan 8.190 nan 0.000 0.451 70 L N 4.479 125.687 121.223 -0.025 0.000 2.309 70 L HA 0.643 4.996 4.340 0.022 0.000 0.282 70 L C 0.228 177.125 176.870 0.045 0.000 1.036 70 L CA -0.284 54.559 54.840 0.005 0.000 0.806 70 L CB 1.687 43.753 42.059 0.011 0.000 1.220 70 L HN 0.573 nan 8.230 nan 0.000 0.429 74 N N 1.333 120.111 118.700 0.130 0.000 2.039 74 N HA -0.081 4.672 4.740 0.022 0.000 0.193 74 N C 1.792 177.337 175.510 0.059 0.000 1.044 74 N CA 1.608 54.708 53.050 0.083 0.000 0.847 74 N CB -0.186 38.342 38.487 0.069 0.000 1.030 74 N HN 0.241 nan 8.380 nan 0.000 0.422 75 L N 0.961 122.185 121.223 0.001 0.000 2.042 75 L HA -0.149 4.204 4.340 0.022 0.000 0.210 75 L C 2.472 179.363 176.870 0.034 0.000 1.076 75 L CA 0.794 55.583 54.840 -0.084 0.000 0.749 75 L CB -0.403 41.559 42.059 -0.160 0.000 0.893 75 L HN 0.214 nan 8.230 nan 0.000 0.432 76 L N -0.646 120.587 121.223 0.016 0.000 2.056 76 L HA -0.208 4.145 4.340 0.022 0.000 0.207 76 L C 2.583 179.487 176.870 0.056 0.000 1.078 76 L CA 1.690 56.545 54.840 0.025 0.000 0.749 76 L CB -0.419 41.620 42.059 -0.033 0.000 0.901 76 L HN 0.332 nan 8.230 nan 0.000 0.433 77 T N -0.498 114.093 114.554 0.063 0.000 2.720 77 T HA -0.219 4.144 4.350 0.022 0.000 0.268 77 T C 1.621 176.366 174.700 0.076 0.000 1.037 77 T CA 1.617 63.754 62.100 0.060 0.000 1.144 77 T CB -0.140 68.764 68.868 0.059 0.000 0.864 77 T HN 0.443 nan 8.240 nan 0.000 0.444 78 E N 0.561 120.838 120.200 0.128 0.000 2.028 78 E HA -0.090 4.273 4.350 0.022 0.000 0.191 78 E C 2.551 179.237 176.600 0.142 0.000 0.988 78 E CA 1.378 57.870 56.400 0.153 0.000 0.799 78 E CB -0.315 29.552 29.700 0.278 0.000 0.755 78 E HN 0.352 nan 8.360 nan 0.000 0.447 79 T N 2.291 116.980 114.554 0.225 0.000 2.699 79 T HA -0.170 4.193 4.350 0.022 0.000 0.268 79 T C 1.960 176.684 174.700 0.040 0.000 1.036 79 T CA 1.516 63.719 62.100 0.173 0.000 1.147 79 T CB -0.382 68.606 68.868 0.200 0.000 0.862 79 T HN 0.337 nan 8.240 nan 0.000 0.446 80 I N -0.405 120.179 120.570 0.023 0.000 3.550 80 I HA 0.126 4.309 4.170 0.022 0.000 0.295 80 I C 1.686 177.787 176.117 -0.026 0.000 1.291 80 I CA 0.544 61.829 61.300 -0.025 0.000 1.298 80 I CB -0.486 37.505 38.000 -0.015 0.000 1.026 80 I HN 0.162 nan 8.210 nan 0.000 0.491 81 Q N 1.364 121.160 119.800 -0.007 0.000 2.425 81 Q HA 0.074 4.427 4.340 0.022 0.000 0.204 81 Q C 0.372 176.359 176.000 -0.021 0.000 0.933 81 Q CA 0.052 55.849 55.803 -0.011 0.000 0.939 81 Q CB -0.085 28.655 28.738 0.003 0.000 1.044 81 Q HN 0.520 nan 8.270 nan 0.000 0.513 82 N N 1.463 120.142 118.700 -0.036 0.000 2.414 82 N HA 0.076 4.829 4.740 0.022 0.000 0.256 82 N C -2.186 173.275 175.510 -0.082 0.000 1.029 82 N CA -2.013 51.011 53.050 -0.044 0.000 0.948 82 N CB 1.563 40.030 38.487 -0.034 0.000 1.102 82 N HN -0.210 nan 8.380 nan 0.000 0.496 83 P HA -0.135 nan 4.420 nan 0.000 0.216 83 P C 0.948 178.200 177.300 -0.080 0.000 1.150 83 P CA 1.094 64.162 63.100 -0.053 0.000 0.837 83 P CB 0.389 32.075 31.700 -0.023 0.000 0.786 84 E N -0.418 119.733 120.200 -0.082 0.000 2.085 84 E HA -0.206 4.157 4.350 0.022 0.000 0.194 84 E C 1.925 178.319 176.600 -0.344 0.000 0.994 84 E CA 1.228 57.574 56.400 -0.090 0.000 0.801 84 E CB -0.417 29.305 29.700 0.036 0.000 0.743 84 E HN 0.095 nan 8.360 nan 0.000 0.453 85 A N 1.289 123.697 122.820 -0.687 0.000 1.898 85 A HA -0.134 4.199 4.320 0.022 0.000 0.216 85 A C 2.199 179.556 177.584 -0.377 0.000 1.181 85 A CA 0.798 52.167 52.037 -1.113 0.000 0.620 85 A CB -0.620 17.787 19.000 -0.988 0.000 0.819 85 A HN 0.383 nan 8.150 nan 0.000 0.442 86 L N -0.642 120.459 121.223 -0.204 0.000 2.083 86 L HA -0.186 4.167 4.340 0.022 0.000 0.209 86 L C 2.579 179.434 176.870 -0.024 0.000 1.083 86 L CA 2.154 56.948 54.840 -0.077 0.000 0.752 86 L CB -0.342 41.679 42.059 -0.062 0.000 0.899 86 L HN 0.511 nan 8.230 nan 0.000 0.433 87 K N -0.770 119.614 120.400 -0.027 0.000 2.057 87 K HA -0.278 4.055 4.320 0.022 0.000 0.207 87 K C 2.017 178.660 176.600 0.071 0.000 1.049 87 K CA 1.915 58.211 56.287 0.016 0.000 0.931 87 K CB -0.413 32.101 32.500 0.022 0.000 0.714 87 K HN 0.374 nan 8.250 nan 0.000 0.440 88 W N 1.536 122.772 121.300 -0.105 0.000 2.338 88 W HA -0.186 4.487 4.660 0.021 0.000 0.304 88 W C 1.580 178.090 176.519 -0.015 0.000 1.212 88 W CA 1.640 58.969 57.345 -0.027 0.000 1.264 88 W CB -0.127 29.333 29.460 0.001 0.000 1.142 88 W HN 0.020 nan 8.180 nan 0.000 0.512 89 I N 0.047 120.801 120.570 0.308 0.000 2.133 89 I HA -0.351 3.832 4.170 0.022 0.000 0.238 89 I C 2.388 178.510 176.117 0.009 0.000 1.074 89 I CA 1.489 62.901 61.300 0.185 0.000 1.342 89 I CB -0.893 37.210 38.000 0.172 0.000 1.053 89 I HN -0.052 nan 8.210 nan 0.000 0.404 90 L N 0.215 121.444 121.223 0.010 0.000 2.131 90 L HA -0.233 4.120 4.340 0.022 0.000 0.210 90 L C 2.021 178.863 176.870 -0.046 0.000 1.092 90 L CA 1.075 55.907 54.840 -0.013 0.000 0.759 90 L CB -0.768 41.288 42.059 -0.006 0.000 0.903 90 L HN 0.274 nan 8.230 nan 0.000 0.435 91 D N 0.136 120.491 120.400 -0.075 0.000 2.178 91 D HA -0.140 4.513 4.640 0.022 0.000 0.201 91 D C 2.359 178.572 176.300 -0.146 0.000 0.980 91 D CA 1.159 55.096 54.000 -0.104 0.000 0.842 91 D CB 0.032 40.759 40.800 -0.122 0.000 0.948 91 D HN 0.280 nan 8.370 nan 0.000 0.472 92 R N -0.213 120.161 120.500 -0.209 0.000 2.156 92 R HA 0.134 4.487 4.340 0.022 0.000 0.207 92 R C 2.108 178.337 176.300 -0.118 0.000 1.040 92 R CA 0.430 56.401 56.100 -0.215 0.000 1.013 92 R CB 0.202 30.281 30.300 -0.369 0.000 0.931 92 R HN 0.008 nan 8.270 nan 0.000 0.465 93 K N 0.626 120.979 120.400 -0.079 0.000 2.186 93 K HA 0.094 4.427 4.320 0.022 0.000 0.202 93 K C 0.013 176.605 176.600 -0.013 0.000 1.052 93 K CA 0.721 56.989 56.287 -0.031 0.000 0.965 93 K CB 0.414 32.910 32.500 -0.005 0.000 0.746 93 K HN 0.016 nan 8.250 nan 0.000 0.457 94 I N 2.292 122.852 120.570 -0.016 0.000 2.371 94 I HA 0.121 4.304 4.170 0.022 0.000 0.282 94 I C -0.425 175.686 176.117 -0.010 0.000 1.031 94 I CA -0.584 60.715 61.300 -0.001 0.000 1.180 94 I CB 1.588 39.595 38.000 0.011 0.000 1.336 94 I HN 0.109 nan 8.210 nan 0.000 0.467 95 T N 1.369 115.919 114.554 -0.007 0.000 2.838 95 T HA 0.610 4.973 4.350 0.022 0.000 0.292 95 T C 0.897 175.596 174.700 -0.001 0.000 1.113 95 T CA -0.225 61.869 62.100 -0.011 0.000 1.008 95 T CB 1.843 70.699 68.868 -0.021 0.000 1.259 95 T HN 0.321 nan 8.240 nan 0.000 0.520 96 A N 0.523 123.342 122.820 -0.002 0.000 1.902 96 A HA -0.039 4.294 4.320 0.022 0.000 0.217 96 A C 1.861 179.448 177.584 0.006 0.000 1.181 96 A CA 1.911 53.950 52.037 0.004 0.000 0.623 96 A CB -1.214 17.787 19.000 0.001 0.000 0.818 96 A HN 0.868 nan 8.150 nan 0.000 0.443 97 D N -0.094 120.306 120.400 0.001 0.000 2.144 97 D HA -0.117 4.536 4.640 0.022 0.000 0.199 97 D C 2.434 178.739 176.300 0.008 0.000 0.984 97 D CA 1.842 55.843 54.000 0.002 0.000 0.834 97 D CB -0.168 40.629 40.800 -0.005 0.000 0.955 97 D HN 0.612 nan 8.370 nan 0.000 0.465 98 S N -1.004 114.701 115.700 0.009 0.000 2.441 98 S HA 0.032 4.515 4.470 0.022 0.000 0.224 98 S C 1.907 176.524 174.600 0.028 0.000 1.043 98 S CA 0.178 58.389 58.200 0.017 0.000 0.948 98 S CB 0.163 63.371 63.200 0.014 0.000 0.810 98 S HN 0.082 nan 8.310 nan 0.000 0.504 99 V N 0.856 120.785 119.914 0.026 0.000 3.379 99 V HA 0.518 4.651 4.120 0.022 0.000 0.249 99 V C 1.087 177.202 176.094 0.035 0.000 1.184 99 V CA 0.642 62.962 62.300 0.034 0.000 1.106 99 V CB -0.204 31.637 31.823 0.031 0.000 0.826 99 V HN 0.885 nan 8.190 nan 0.000 0.465 100 G N -0.474 108.342 108.800 0.028 0.000 2.640 100 G HA2 -0.098 3.875 3.960 0.022 0.000 0.686 100 G HA3 -0.098 3.875 3.960 0.022 0.000 0.686 100 G C -0.007 174.905 174.900 0.020 0.000 1.229 100 G CA -0.267 44.851 45.100 0.030 0.000 0.796 100 G HN 0.054 nan 8.290 nan 0.000 0.654 101 L N 1.013 122.247 121.223 0.018 0.000 2.081 101 L HA -0.052 4.301 4.340 0.022 0.000 0.212 101 L C 2.811 179.685 176.870 0.008 0.000 1.080 101 L CA 2.251 57.098 54.840 0.011 0.000 0.754 101 L CB -0.248 41.818 42.059 0.011 0.000 0.893 101 L HN 0.839 nan 8.230 nan 0.000 0.433 102 G N -1.462 107.343 108.800 0.008 0.000 3.042 102 G HA2 0.175 4.148 3.960 0.022 0.000 0.212 102 G HA3 0.175 4.148 3.960 0.022 0.000 0.212 102 G C 1.287 176.185 174.900 -0.004 0.000 1.166 102 G CA -0.138 44.962 45.100 -0.001 0.000 0.767 102 G HN 0.258 nan 8.290 nan 0.000 0.546 103 L N 0.325 121.549 121.223 0.003 0.000 2.781 103 L HA 0.103 4.456 4.340 0.022 0.000 0.245 103 L C 2.899 179.776 176.870 0.013 0.000 1.118 103 L CA 0.828 55.669 54.840 0.002 0.000 0.918 103 L CB 0.057 42.117 42.059 0.003 0.000 1.246 103 L HN 0.219 nan 8.230 nan 0.000 0.526 104 T N -1.972 112.591 114.554 0.014 0.000 2.635 104 T HA -0.249 4.114 4.350 0.022 0.000 0.267 104 T C 2.078 176.792 174.700 0.024 0.000 1.040 104 T CA 1.899 64.010 62.100 0.018 0.000 1.156 104 T CB -0.692 68.183 68.868 0.011 0.000 0.863 104 T HN 0.397 nan 8.240 nan 0.000 0.430 105 S N 2.668 118.379 115.700 0.019 0.000 2.371 105 S HA -0.154 4.329 4.470 0.022 0.000 0.224 105 S C 2.188 176.810 174.600 0.037 0.000 1.029 105 S CA 1.154 59.368 58.200 0.023 0.000 0.978 105 S CB -0.645 62.565 63.200 0.016 0.000 0.833 105 S HN 0.889 nan 8.310 nan 0.000 0.466 106 E N 0.975 121.195 120.200 0.032 0.000 2.208 106 E HA -0.001 4.362 4.350 0.022 0.000 0.193 106 E C 2.186 178.842 176.600 0.094 0.000 0.988 106 E CA 0.626 57.054 56.400 0.047 0.000 0.828 106 E CB -0.387 29.320 29.700 0.011 0.000 0.763 106 E HN 0.470 nan 8.360 nan 0.000 0.478 107 L N 1.415 122.687 121.223 0.080 0.000 2.023 107 L HA -0.066 4.287 4.340 0.022 0.000 0.205 107 L C 2.711 179.685 176.870 0.173 0.000 1.073 107 L CA 1.849 56.769 54.840 0.134 0.000 0.745 107 L CB -0.514 41.593 42.059 0.080 0.000 0.900 107 L HN 0.167 nan 8.230 nan 0.000 0.435 108 R N -0.544 120.013 120.500 0.095 0.000 2.081 108 R HA -0.145 4.208 4.340 0.022 0.000 0.235 108 R C 2.357 178.691 176.300 0.057 0.000 1.131 108 R CA 1.848 57.984 56.100 0.061 0.000 0.960 108 R CB -0.072 30.247 30.300 0.032 0.000 0.856 108 R HN 0.321 nan 8.270 nan 0.000 0.436 109 S N -0.128 115.620 115.700 0.079 0.000 2.353 109 S HA -0.197 4.286 4.470 0.022 0.000 0.222 109 S C 1.225 175.880 174.600 0.091 0.000 1.035 109 S CA 1.404 59.647 58.200 0.072 0.000 1.025 109 S CB -0.497 62.751 63.200 0.080 0.000 0.902 109 S HN 0.600 nan 8.310 nan 0.000 0.440 110 W N 2.223 123.504 121.300 -0.030 0.000 2.358 110 W HA -0.058 4.615 4.660 0.021 0.000 0.303 110 W C 1.664 178.160 176.519 -0.038 0.000 1.208 110 W CA 1.053 58.375 57.345 -0.038 0.000 1.274 110 W CB -0.521 28.903 29.460 -0.060 0.000 1.138 110 W HN 0.204 nan 8.180 nan 0.000 0.515 111 L N 0.282 121.369 121.223 -0.226 0.000 2.056 111 L HA -0.182 4.171 4.340 0.022 0.000 0.207 111 L C 2.374 179.065 176.870 -0.299 0.000 1.078 111 L CA 1.759 56.344 54.840 -0.425 0.000 0.749 111 L CB -0.838 41.138 42.059 -0.138 0.000 0.901 111 L HN -0.020 nan 8.230 nan 0.000 0.433 112 E N -0.445 119.662 120.200 -0.156 0.000 2.338 112 E HA -0.154 4.209 4.350 0.022 0.000 0.197 112 E C 1.764 178.292 176.600 -0.120 0.000 1.007 112 E CA 1.153 57.488 56.400 -0.108 0.000 0.849 112 E CB 0.042 29.710 29.700 -0.053 0.000 0.774 112 E HN 0.419 nan 8.360 nan 0.000 0.506 113 S N -0.083 115.518 115.700 -0.164 0.000 2.614 113 S HA 0.167 4.650 4.470 0.022 0.000 0.230 113 S C 0.390 174.881 174.600 -0.182 0.000 0.952 113 S CA -0.392 57.727 58.200 -0.135 0.000 0.949 113 S CB -0.085 63.060 63.200 -0.092 0.000 0.786 113 S HN -0.009 nan 8.310 nan 0.000 0.478 114 L N 1.125 122.204 121.223 -0.239 0.000 2.334 114 L HA 0.515 4.868 4.340 0.022 0.000 0.270 114 L C 0.389 177.192 176.870 -0.112 0.000 1.018 114 L CA -0.976 53.738 54.840 -0.210 0.000 0.811 114 L CB 1.098 42.966 42.059 -0.317 0.000 1.271 114 L HN 0.163 nan 8.230 nan 0.000 0.443 115 E N 1.733 121.891 120.200 -0.071 0.000 2.415 115 E HA -0.002 4.361 4.350 0.022 0.000 0.263 115 E C -1.621 174.955 176.600 -0.040 0.000 0.995 115 E CA -1.350 55.024 56.400 -0.043 0.000 0.915 115 E CB 0.820 30.504 29.700 -0.026 0.000 0.951 115 E HN 0.326 nan 8.360 nan 0.000 0.449 116 P HA -0.256 nan 4.420 nan 0.000 0.218 116 P C 1.176 178.473 177.300 -0.004 0.000 1.152 116 P CA 1.376 64.466 63.100 -0.016 0.000 0.857 116 P CB 0.128 31.825 31.700 -0.005 0.000 0.787 117 R N 0.053 120.549 120.500 -0.006 0.000 2.115 117 R HA -0.090 4.263 4.340 0.022 0.000 0.230 117 R C 1.907 178.196 176.300 -0.019 0.000 1.111 117 R CA 1.471 57.569 56.100 -0.003 0.000 0.976 117 R CB -0.141 30.151 30.300 -0.012 0.000 0.870 117 R HN 0.118 nan 8.270 nan 0.000 0.445 118 K N 0.146 120.526 120.400 -0.033 0.000 2.186 118 K HA 0.022 4.355 4.320 0.022 0.000 0.202 118 K C 2.014 178.613 176.600 -0.001 0.000 1.052 118 K CA 0.402 56.650 56.287 -0.065 0.000 0.965 118 K CB 0.013 32.491 32.500 -0.037 0.000 0.746 118 K HN 0.158 nan 8.250 nan 0.000 0.457 119 L N 0.819 122.053 121.223 0.018 0.000 2.017 119 L HA -0.186 4.167 4.340 0.022 0.000 0.208 119 L C 2.298 179.208 176.870 0.067 0.000 1.073 119 L CA 1.604 56.466 54.840 0.037 0.000 0.745 119 L CB -0.483 41.555 42.059 -0.036 0.000 0.894 119 L HN 0.190 nan 8.230 nan 0.000 0.432 120 A N -0.537 122.306 122.820 0.039 0.000 1.902 120 A HA -0.253 4.080 4.320 0.022 0.000 0.217 120 A C 2.051 179.679 177.584 0.075 0.000 1.181 120 A CA 1.689 53.753 52.037 0.046 0.000 0.623 120 A CB -0.545 18.485 19.000 0.049 0.000 0.818 120 A HN 0.528 nan 8.150 nan 0.000 0.443 121 E N -1.447 118.797 120.200 0.073 0.000 2.085 121 E HA -0.222 4.141 4.350 0.022 0.000 0.194 121 E C 1.738 178.347 176.600 0.015 0.000 0.994 121 E CA 1.536 57.970 56.400 0.056 0.000 0.801 121 E CB -0.256 29.354 29.700 -0.152 0.000 0.743 121 E HN 0.795 nan 8.360 nan 0.000 0.453 122 Y N 0.323 120.654 120.300 0.051 0.000 2.395 122 Y HA -0.062 4.500 4.550 0.021 0.000 0.293 122 Y C 2.058 177.975 175.900 0.030 0.000 1.123 122 Y CA 0.575 58.708 58.100 0.056 0.000 1.227 122 Y CB -0.095 38.417 38.460 0.086 0.000 1.012 122 Y HN 0.018 nan 8.280 nan 0.000 0.552 123 L N -0.987 120.335 121.223 0.166 0.000 2.093 123 L HA -0.194 4.159 4.340 0.022 0.000 0.208 123 L C 1.951 178.842 176.870 0.034 0.000 1.085 123 L CA 1.329 56.218 54.840 0.082 0.000 0.755 123 L CB -0.381 41.704 42.059 0.044 0.000 0.904 123 L HN 0.216 nan 8.230 nan 0.000 0.435 124 I N -0.865 119.711 120.570 0.010 0.000 2.585 124 I HA -0.046 4.137 4.170 0.022 0.000 0.254 124 I C 2.218 178.320 176.117 -0.024 0.000 1.129 124 I CA 0.990 62.265 61.300 -0.042 0.000 1.455 124 I CB -0.256 37.658 38.000 -0.143 0.000 1.111 124 I HN 0.186 nan 8.210 nan 0.000 0.433 125 G N 0.280 109.092 108.800 0.020 0.000 3.088 125 G HA2 0.417 4.390 3.960 0.022 0.000 0.217 125 G HA3 0.417 4.390 3.960 0.022 0.000 0.217 125 G C 0.768 175.631 174.900 -0.062 0.000 1.159 125 G CA 0.432 45.516 45.100 -0.028 0.000 0.760 125 G HN 0.533 nan 8.290 nan 0.000 0.550 126 G N -1.439 107.361 108.800 0.000 0.000 2.781 126 G HA2 0.067 4.040 3.960 0.022 0.000 0.683 126 G HA3 0.067 4.040 3.960 0.022 0.000 0.683 126 G C -0.875 174.081 174.900 0.093 0.000 1.390 126 G CA -0.415 44.656 45.100 -0.049 0.000 0.850 126 G HN 0.867 nan 8.290 nan 0.000 0.557 127 V N 0.809 120.759 119.914 0.059 0.000 2.531 127 V HA 0.801 4.934 4.120 0.022 0.000 0.301 127 V C 0.766 176.933 176.094 0.122 0.000 1.034 127 V CA -0.032 62.315 62.300 0.079 0.000 0.865 127 V CB 1.367 33.214 31.823 0.040 0.000 0.995 127 V HN 2.109 nan 8.190 nan 0.000 0.424 128 A N 3.174 126.071 122.820 0.129 0.000 2.295 128 A HA 0.828 5.161 4.320 0.022 0.000 0.318 128 A C 1.357 178.944 177.584 0.004 0.000 1.134 128 A CA 0.167 52.320 52.037 0.193 0.000 0.827 128 A CB 1.304 20.446 19.000 0.237 0.000 1.136 128 A HN 1.369 nan 8.150 nan 0.000 0.493 129 A N 1.147 123.967 122.820 0.001 0.000 1.927 129 A HA -0.240 4.093 4.320 0.022 0.000 0.220 129 A C 1.355 178.863 177.584 -0.127 0.000 1.185 129 A CA 2.584 54.576 52.037 -0.075 0.000 0.639 129 A CB -1.040 17.928 19.000 -0.054 0.000 0.820 129 A HN 0.883 nan 8.150 nan 0.000 0.451 130 D N 0.214 120.567 120.400 -0.079 0.000 2.218 130 D HA -0.109 4.544 4.640 0.022 0.000 0.204 130 D C 1.072 177.283 176.300 -0.147 0.000 0.976 130 D CA 1.180 55.129 54.000 -0.086 0.000 0.853 130 D CB -0.201 40.585 40.800 -0.023 0.000 0.939 130 D HN 0.439 nan 8.370 nan 0.000 0.481 131 D N 0.302 120.583 120.400 -0.198 0.000 2.310 131 D HA -0.038 4.615 4.640 0.022 0.000 0.212 131 D C 0.798 176.663 176.300 -0.724 0.000 0.965 131 D CA 0.407 54.213 54.000 -0.323 0.000 0.879 131 D CB 0.125 40.723 40.800 -0.336 0.000 0.921 131 D HN 0.292 nan 8.370 nan 0.000 0.510 132 L N 1.390 122.201 121.223 -0.687 0.000 2.453 132 L HA 0.210 4.563 4.340 0.022 0.000 0.261 132 L C -2.011 174.575 176.870 -0.474 0.000 1.179 132 L CA -1.653 52.710 54.840 -0.795 0.000 0.813 132 L CB 0.015 41.766 42.059 -0.514 0.000 1.110 132 L HN -0.271 nan 8.230 nan 0.000 0.466 133 P HA 0.121 nan 4.420 nan 0.000 0.276 133 P C -0.672 176.544 177.300 -0.140 0.000 1.235 133 P CA -0.435 62.558 63.100 -0.177 0.000 0.772 133 P CB 0.762 32.415 31.700 -0.078 0.000 0.871 134 A N 3.174 125.935 122.820 -0.098 0.000 2.581 134 A HA 0.307 4.640 4.320 0.022 0.000 0.257 134 A C 0.740 178.280 177.584 -0.072 0.000 1.022 134 A CA 0.953 52.942 52.037 -0.080 0.000 0.812 134 A CB -1.058 17.910 19.000 -0.054 0.000 0.918 134 A HN 0.628 nan 8.150 nan 0.000 0.516 135 S N 1.122 116.773 115.700 -0.081 0.000 2.671 135 S HA 0.520 5.003 4.470 0.022 0.000 0.277 135 S C 0.474 175.030 174.600 -0.073 0.000 1.165 135 S CA -0.180 57.978 58.200 -0.070 0.000 0.822 135 S CB 1.020 64.176 63.200 -0.074 0.000 1.150 135 S HN 0.619 nan 8.310 nan 0.000 0.479 136 E N 0.750 120.911 120.200 -0.065 0.000 2.015 136 E HA -0.015 4.348 4.350 0.022 0.000 0.191 136 E C 2.093 178.638 176.600 -0.092 0.000 0.991 136 E CA 1.289 57.645 56.400 -0.073 0.000 0.802 136 E CB -0.840 28.824 29.700 -0.060 0.000 0.759 136 E HN 0.833 nan 8.360 nan 0.000 0.447 137 G N 1.211 109.962 108.800 -0.081 0.000 2.469 137 G HA2 -0.310 3.663 3.960 0.022 0.000 0.219 137 G HA3 -0.310 3.663 3.960 0.022 0.000 0.219 137 G C 1.678 176.514 174.900 -0.107 0.000 1.150 137 G CA 1.127 46.174 45.100 -0.088 0.000 0.763 137 G HN 0.357 nan 8.290 nan 0.000 0.561 138 A N 1.048 123.806 122.820 -0.104 0.000 1.972 138 A HA -0.074 4.259 4.320 0.022 0.000 0.219 138 A C 2.258 179.770 177.584 -0.120 0.000 1.169 138 A CA 1.811 53.780 52.037 -0.113 0.000 0.635 138 A CB -0.349 18.573 19.000 -0.129 0.000 0.810 138 A HN 0.367 nan 8.150 nan 0.000 0.446 139 N N 0.023 118.650 118.700 -0.121 0.000 2.270 139 N HA -0.107 4.646 4.740 0.022 0.000 0.181 139 N C 1.675 177.073 175.510 -0.186 0.000 1.016 139 N CA 1.494 54.468 53.050 -0.126 0.000 0.870 139 N CB -0.474 37.949 38.487 -0.106 0.000 0.979 139 N HN 0.750 nan 8.380 nan 0.000 0.431 140 I N -0.014 120.411 120.570 -0.242 0.000 2.546 140 I HA -0.119 4.064 4.170 0.022 0.000 0.255 140 I C 1.606 177.374 176.117 -0.580 0.000 1.163 140 I CA 0.857 61.894 61.300 -0.438 0.000 1.457 140 I CB 0.028 37.758 38.000 -0.449 0.000 1.092 140 I HN -0.054 nan 8.210 nan 0.000 0.434 141 L N 0.808 121.852 121.223 -0.298 0.000 2.056 141 L HA -0.048 4.305 4.340 0.022 0.000 0.207 141 L C 1.735 178.559 176.870 -0.078 0.000 1.078 141 L CA 0.951 55.711 54.840 -0.133 0.000 0.749 141 L CB -0.772 41.264 42.059 -0.038 0.000 0.901 141 L HN 0.123 nan 8.230 nan 0.000 0.433 145 R N 1.199 121.774 120.500 0.124 0.000 2.075 145 R HA -0.146 4.207 4.340 0.022 0.000 0.232 145 R C 1.732 178.052 176.300 0.033 0.000 1.126 145 R CA 2.238 58.374 56.100 0.061 0.000 0.963 145 R CB 0.123 30.436 30.300 0.021 0.000 0.858 145 R HN 0.211 nan 8.270 nan 0.000 0.435 146 E N -0.374 119.863 120.200 0.061 0.000 2.016 146 E HA -0.147 4.216 4.350 0.022 0.000 0.190 146 E C 1.615 178.202 176.600 -0.022 0.000 0.985 146 E CA 1.528 57.942 56.400 0.024 0.000 0.802 146 E CB -0.285 29.457 29.700 0.069 0.000 0.762 146 E HN 0.382 nan 8.360 nan 0.000 0.448 147 Y N -0.552 119.726 120.300 -0.037 0.000 2.395 147 Y HA 0.090 4.652 4.550 0.021 0.000 0.293 147 Y C 1.584 177.439 175.900 -0.075 0.000 1.123 147 Y CA 0.869 58.943 58.100 -0.043 0.000 1.227 147 Y CB 0.301 38.746 38.460 -0.024 0.000 1.012 147 Y HN 0.036 nan 8.280 nan 0.000 0.552 148 L N -2.272 118.951 121.223 0.000 0.000 2.966 148 L HA 0.381 4.734 4.340 0.022 0.000 0.262 148 L C 1.360 178.207 176.870 -0.039 0.000 1.165 148 L CA 0.394 55.166 54.840 -0.112 0.000 0.978 148 L CB 0.439 42.236 42.059 -0.437 0.000 1.337 148 L HN 0.135 nan 8.230 nan 0.000 0.563 149 G N 0.251 109.048 108.800 -0.006 0.000 2.176 149 G HA2 -0.261 3.712 3.960 0.022 0.000 0.252 149 G HA3 -0.261 3.712 3.960 0.022 0.000 0.252 149 G C -0.022 174.958 174.900 0.132 0.000 1.024 149 G CA -0.024 45.101 45.100 0.041 0.000 0.755 149 G HN 0.338 nan 8.290 nan 0.000 0.507 150 H N 0.697 119.754 119.070 -0.021 0.000 2.607 150 H HA 0.533 5.103 4.556 0.023 0.000 0.367 150 H C 1.224 176.492 175.328 -0.100 0.000 1.181 150 H CA -0.174 55.846 56.048 -0.046 0.000 1.402 150 H CB 1.100 30.854 29.762 -0.012 0.000 1.474 150 H HN 0.453 nan 8.280 nan 0.000 0.596 151 S N 0.278 115.946 115.700 -0.054 0.000 2.528 151 S HA 0.107 4.590 4.470 0.022 0.000 0.277 151 S C 0.634 175.069 174.600 -0.275 0.000 1.297 151 S CA -0.378 57.656 58.200 -0.278 0.000 1.052 151 S CB 0.466 63.491 63.200 -0.291 0.000 0.917 151 S HN 0.600 nan 8.310 nan 0.000 0.492 152 S N 1.922 117.367 115.700 -0.425 0.000 2.677 152 S HA 0.288 4.771 4.470 0.022 0.000 0.246 152 S C -0.597 173.943 174.600 -0.100 0.000 1.005 152 S CA -0.735 57.342 58.200 -0.206 0.000 1.062 152 S CB -0.938 62.184 63.200 -0.130 0.000 0.778 152 S HN 0.579 nan 8.310 nan 0.000 0.461 153 F N 2.253 122.223 119.950 0.033 0.000 2.334 153 F HA 0.424 4.962 4.527 0.018 0.000 0.365 153 F C 1.293 177.105 175.800 0.020 0.000 1.124 153 F CA -2.328 55.685 58.000 0.022 0.000 1.166 153 F CB 0.189 39.202 39.000 0.021 0.000 1.355 153 F HN 0.074 nan 8.300 nan 0.000 0.532 154 L N 1.920 123.258 121.223 0.192 0.000 2.021 154 L HA -0.164 4.189 4.340 0.022 0.000 0.215 154 L C 0.616 177.554 176.870 0.114 0.000 1.074 154 L CA 1.483 56.389 54.840 0.110 0.000 0.760 154 L CB -0.453 41.641 42.059 0.059 0.000 0.889 154 L HN 0.285 nan 8.230 nan 0.000 0.433 155 L N -0.132 121.164 121.223 0.121 0.000 2.372 155 L HA 0.444 4.797 4.340 0.022 0.000 0.274 155 L C -2.259 174.636 176.870 0.041 0.000 0.988 155 L CA -2.239 52.648 54.840 0.078 0.000 0.833 155 L CB 1.336 43.433 42.059 0.063 0.000 1.236 155 L HN -0.172 nan 8.230 nan 0.000 0.410 156 P HA 0.226 nan 4.420 nan 0.000 0.271 156 P C -2.506 174.690 177.300 -0.173 0.000 1.218 156 P CA -1.030 62.037 63.100 -0.055 0.000 0.780 156 P CB -0.101 31.627 31.700 0.048 0.000 0.901 157 P HA 0.130 nan 4.420 nan 0.000 0.272 157 P C -0.603 176.582 177.300 -0.192 0.000 1.230 157 P CA 0.300 63.214 63.100 -0.309 0.000 0.788 157 P CB 0.665 32.089 31.700 -0.460 0.000 0.949 158 L N 2.953 124.073 121.223 -0.172 0.000 2.637 158 L HA 0.241 4.594 4.340 0.022 0.000 0.241 158 L C -1.251 175.512 176.870 -0.178 0.000 1.398 158 L CA -1.463 53.308 54.840 -0.115 0.000 0.895 158 L CB 1.404 43.431 42.059 -0.053 0.000 1.183 158 L HN 0.232 nan 8.230 nan 0.000 0.497 159 P HA -0.169 nan 4.420 nan 0.000 0.221 159 P C 0.611 177.774 177.300 -0.229 0.000 1.145 159 P CA 1.318 63.959 63.100 -0.765 0.000 0.795 159 P CB 0.216 31.154 31.700 -1.269 0.000 0.775 160 N N -0.598 118.162 118.700 0.100 0.000 2.521 160 N HA -0.053 4.700 4.740 0.022 0.000 0.188 160 N C 1.458 177.105 175.510 0.228 0.000 1.146 160 N CA 0.959 54.227 53.050 0.363 0.000 0.893 160 N CB -0.533 38.206 38.487 0.420 0.000 0.975 160 N HN 0.276 nan 8.380 nan 0.000 0.451 161 T N -1.299 113.310 114.554 0.091 0.000 2.929 161 T HA -0.269 4.094 4.350 0.022 0.000 0.271 161 T C 1.716 176.434 174.700 0.030 0.000 1.085 161 T CA 0.954 63.084 62.100 0.050 0.000 1.125 161 T CB -0.297 68.559 68.868 -0.020 0.000 0.874 161 T HN 0.425 nan 8.240 nan 0.000 0.494 162 Q N 0.621 120.403 119.800 -0.029 0.000 2.226 162 Q HA -0.053 4.300 4.340 0.022 0.000 0.204 162 Q C 0.007 175.889 176.000 -0.197 0.000 0.975 162 Q CA 0.805 56.491 55.803 -0.195 0.000 0.866 162 Q CB -0.460 28.066 28.738 -0.353 0.000 0.915 162 Q HN 0.562 nan 8.270 nan 0.000 0.440 163 F N 2.530 122.587 119.950 0.178 0.000 2.467 163 F HA 0.223 4.763 4.527 0.022 0.000 0.349 163 F C 1.174 177.039 175.800 0.109 0.000 1.182 163 F CA -0.239 57.848 58.000 0.145 0.000 1.279 163 F CB 0.508 39.591 39.000 0.138 0.000 1.626 163 F HN 0.081 nan 8.300 nan 0.000 0.596 164 T N -2.518 112.172 114.554 0.226 0.000 2.946 164 T HA -0.249 4.114 4.350 0.022 0.000 0.271 164 T C 2.179 176.973 174.700 0.156 0.000 1.104 164 T CA 1.062 63.260 62.100 0.164 0.000 1.114 164 T CB -0.176 68.781 68.868 0.149 0.000 0.867 164 T HN 0.360 nan 8.240 nan 0.000 0.513 165 R N 1.615 122.212 120.500 0.161 0.000 2.120 165 R HA -0.090 4.263 4.340 0.022 0.000 0.234 165 R C 1.773 178.124 176.300 0.085 0.000 1.123 165 R CA 1.639 57.799 56.100 0.099 0.000 0.975 165 R CB -0.553 29.786 30.300 0.065 0.000 0.866 165 R HN 0.364 nan 8.270 nan 0.000 0.446 166 D N -0.797 119.661 120.400 0.097 0.000 2.092 166 D HA -0.151 4.502 4.640 0.022 0.000 0.193 166 D C 1.804 178.149 176.300 0.076 0.000 0.994 166 D CA 2.297 56.335 54.000 0.065 0.000 0.828 166 D CB -0.548 40.314 40.800 0.103 0.000 0.963 166 D HN 0.471 nan 8.370 nan 0.000 0.450 167 T N -2.367 112.237 114.554 0.084 0.000 3.043 167 T HA 0.029 4.392 4.350 0.022 0.000 0.263 167 T C 1.016 175.743 174.700 0.046 0.000 1.094 167 T CA 0.745 62.881 62.100 0.061 0.000 1.127 167 T CB -0.138 68.755 68.868 0.042 0.000 0.905 167 T HN 0.215 nan 8.240 nan 0.000 0.490 168 T N -0.976 113.619 114.554 0.069 0.000 2.923 168 T HA 0.620 4.983 4.350 0.022 0.000 0.311 168 T C -1.139 173.599 174.700 0.063 0.000 1.183 168 T CA -0.981 61.155 62.100 0.061 0.000 1.020 168 T CB 1.426 70.386 68.868 0.153 0.000 1.165 168 T HN 0.252 nan 8.240 nan 0.000 0.482 169 C N 2.042 121.325 119.300 -0.027 0.000 2.441 169 C HA 0.654 5.127 4.460 0.022 0.000 0.318 169 C C -0.864 174.069 174.990 -0.095 0.000 1.222 169 C CA -1.035 57.998 59.018 0.026 0.000 1.474 169 C CB 0.187 27.966 27.740 0.064 0.000 2.125 169 C HN 0.973 nan 8.230 nan 0.000 0.479 170 W N 3.230 124.539 121.300 0.016 0.000 2.331 170 W HA 0.665 5.338 4.660 0.021 0.000 0.306 170 W C -0.128 176.386 176.519 -0.009 0.000 1.162 170 W CA -0.474 56.866 57.345 -0.008 0.000 1.232 170 W CB 0.481 29.890 29.460 -0.084 0.000 1.235 170 W HN 0.410 nan 8.180 nan 0.000 0.479 171 I N 6.283 127.016 120.570 0.271 0.000 2.437 171 I HA 0.208 4.391 4.170 0.022 0.000 0.279 171 I C -0.338 175.931 176.117 0.253 0.000 1.028 171 I CA -0.877 60.459 61.300 0.060 0.000 1.142 171 I CB 0.073 38.091 38.000 0.030 0.000 1.266 171 I HN 0.589 nan 8.210 nan 0.000 0.461 172 Y N 3.746 124.111 120.300 0.107 0.000 2.875 172 Y HA -0.353 4.210 4.550 0.022 0.000 0.467 172 Y C 1.942 177.977 175.900 0.225 0.000 1.183 172 Y CA 1.150 59.242 58.100 -0.014 0.000 2.568 172 Y CB -1.208 37.350 38.460 0.163 0.000 1.216 172 Y HN 0.623 nan 8.280 nan 0.000 0.629 173 G N 1.243 110.433 108.800 0.650 0.000 3.375 173 G HA2 0.451 4.424 3.960 0.022 0.000 0.247 173 G HA3 0.451 4.424 3.960 0.022 0.000 0.247 173 G C 0.158 175.286 174.900 0.379 0.000 1.343 173 G CA 0.803 46.214 45.100 0.518 0.000 1.368 173 G HN 1.043 nan 8.290 nan 0.000 0.549 174 G N -1.992 107.034 108.800 0.377 0.000 2.506 174 G HA2 0.532 4.505 3.960 0.022 0.000 0.292 174 G HA3 0.532 4.505 3.960 0.022 0.000 0.292 174 G C -1.968 172.695 174.900 -0.395 0.000 1.425 174 G CA -0.294 44.547 45.100 -0.431 0.000 0.788 174 G HN 0.612 nan 8.290 nan 0.000 0.490 175 V N -0.390 119.012 119.914 -0.852 0.000 3.078 175 V HA 0.888 5.021 4.120 0.022 0.000 0.311 175 V C -0.233 175.665 176.094 -0.326 0.000 1.138 175 V CA 0.058 61.877 62.300 -0.801 0.000 1.007 175 V CB 2.487 33.183 31.823 -1.879 0.000 1.045 175 V HN 1.520 nan 8.190 nan 0.000 0.432 176 T N 3.331 117.800 114.554 -0.142 0.000 2.823 176 T HA 0.684 5.047 4.350 0.022 0.000 0.279 176 T C -0.684 174.000 174.700 -0.028 0.000 0.998 176 T CA -0.599 61.524 62.100 0.039 0.000 0.994 176 T CB 1.218 70.190 68.868 0.174 0.000 0.960 176 T HN 0.547 nan 8.240 nan 0.000 0.448 177 L N 3.522 124.728 121.223 -0.028 0.000 2.287 177 L HA 0.377 4.730 4.340 0.022 0.000 0.280 177 L C -0.082 176.752 176.870 -0.060 0.000 1.055 177 L CA -1.047 53.774 54.840 -0.032 0.000 0.863 177 L CB 0.155 42.199 42.059 -0.026 0.000 1.245 177 L HN 0.620 nan 8.230 nan 0.000 0.432 178 N N 4.170 122.865 118.700 -0.008 0.000 2.468 178 N HA 0.185 4.938 4.740 0.022 0.000 0.265 178 N C -2.215 173.266 175.510 -0.047 0.000 1.199 178 N CA -0.974 52.079 53.050 0.005 0.000 0.928 178 N CB 0.461 38.983 38.487 0.058 0.000 1.059 178 N HN 0.271 nan 8.380 nan 0.000 0.467 182 W N 4.864 126.283 121.300 0.198 0.000 2.345 182 W HA 0.381 5.045 4.660 0.007 0.000 0.308 182 W C -1.765 174.779 176.519 0.041 0.000 1.273 182 W CA -1.571 55.826 57.345 0.087 0.000 1.243 182 W CB 0.666 30.223 29.460 0.162 0.000 1.260 182 W HN -0.010 nan 8.180 nan 0.000 0.509 183 P HA -0.314 nan 4.420 nan 0.000 0.217 183 P C 1.540 178.932 177.300 0.154 0.000 1.151 183 P CA 2.644 65.834 63.100 0.150 0.000 0.849 183 P CB 0.117 31.883 31.700 0.110 0.000 0.787 184 A N -0.119 122.811 122.820 0.183 0.000 1.972 184 A HA -0.208 4.125 4.320 0.022 0.000 0.219 184 A C 2.123 179.785 177.584 0.129 0.000 1.169 184 A CA 1.356 53.469 52.037 0.127 0.000 0.635 184 A CB -0.938 18.119 19.000 0.095 0.000 0.810 184 A HN 0.132 nan 8.150 nan 0.000 0.446 185 R N -0.674 119.937 120.500 0.186 0.000 2.316 185 R HA 0.010 4.363 4.340 0.022 0.000 0.202 185 R C 1.726 178.101 176.300 0.125 0.000 1.029 185 R CA 0.658 56.859 56.100 0.168 0.000 1.018 185 R CB -0.164 30.277 30.300 0.235 0.000 0.888 185 R HN 0.515 nan 8.270 nan 0.000 0.471 186 R N 0.331 120.898 120.500 0.111 0.000 2.280 186 R HA -0.036 4.317 4.340 0.022 0.000 0.207 186 R C 1.708 178.047 176.300 0.064 0.000 1.043 186 R CA 0.506 56.656 56.100 0.082 0.000 1.006 186 R CB 0.068 30.414 30.300 0.076 0.000 0.885 186 R HN 0.141 nan 8.270 nan 0.000 0.467 187 Q N 0.715 120.551 119.800 0.061 0.000 2.297 187 Q HA -0.119 4.234 4.340 0.022 0.000 0.204 187 Q C 1.323 177.347 176.000 0.040 0.000 0.962 187 Q CA 1.231 57.061 55.803 0.045 0.000 0.879 187 Q CB 0.242 29.002 28.738 0.037 0.000 0.947 187 Q HN 0.542 nan 8.270 nan 0.000 0.462 188 E N -0.211 120.015 120.200 0.044 0.000 2.033 188 E HA -0.068 4.295 4.350 0.022 0.000 0.189 188 E C 1.923 178.529 176.600 0.011 0.000 0.979 188 E CA 1.305 57.720 56.400 0.026 0.000 0.802 188 E CB -0.035 29.694 29.700 0.049 0.000 0.763 188 E HN 0.210 nan 8.360 nan 0.000 0.449 189 T N 2.058 116.629 114.554 0.027 0.000 2.778 189 T HA -0.171 4.192 4.350 0.022 0.000 0.269 189 T C 1.853 176.569 174.700 0.028 0.000 1.050 189 T CA 0.896 63.002 62.100 0.010 0.000 1.137 189 T CB -0.207 68.677 68.868 0.025 0.000 0.860 189 T HN 0.022 nan 8.240 nan 0.000 0.468 190 L N 0.592 121.856 121.223 0.069 0.000 2.093 190 L HA 0.070 4.423 4.340 0.022 0.000 0.208 190 L C 2.070 179.046 176.870 0.177 0.000 1.085 190 L CA 1.529 56.459 54.840 0.149 0.000 0.755 190 L CB -0.459 41.662 42.059 0.104 0.000 0.904 190 L HN 0.251 nan 8.230 nan 0.000 0.435 191 L N -1.558 119.706 121.223 0.069 0.000 2.072 191 L HA -0.130 4.223 4.340 0.022 0.000 0.205 191 L C 2.301 179.129 176.870 -0.071 0.000 1.079 191 L CA 1.466 56.325 54.840 0.031 0.000 0.752 191 L CB -1.067 40.984 42.059 -0.015 0.000 0.906 191 L HN 0.218 nan 8.230 nan 0.000 0.436 192 T N -1.200 113.255 114.554 -0.164 0.000 2.821 192 T HA -0.153 4.210 4.350 0.022 0.000 0.267 192 T C 1.930 176.296 174.700 -0.556 0.000 1.046 192 T CA 1.766 63.615 62.100 -0.418 0.000 1.139 192 T CB -0.244 68.365 68.868 -0.432 0.000 0.871 192 T HN 0.299 nan 8.240 nan 0.000 0.454 193 T N 2.139 116.534 114.554 -0.266 0.000 2.684 193 T HA -0.076 4.287 4.350 0.022 0.000 0.267 193 T C 2.417 177.005 174.700 -0.185 0.000 1.036 193 T CA 1.252 63.263 62.100 -0.148 0.000 1.148 193 T CB -0.602 68.324 68.868 0.096 0.000 0.863 193 T HN 0.442 nan 8.240 nan 0.000 0.436 194 A N 0.909 123.659 122.820 -0.116 0.000 1.940 194 A HA -0.065 4.268 4.320 0.022 0.000 0.219 194 A C 2.279 179.907 177.584 0.074 0.000 1.176 194 A CA 1.296 53.270 52.037 -0.104 0.000 0.631 194 A CB -0.771 18.291 19.000 0.102 0.000 0.814 194 A HN 0.550 nan 8.150 nan 0.000 0.446 195 I N -1.926 118.625 120.570 -0.032 0.000 2.163 195 I HA -0.214 3.969 4.170 0.022 0.000 0.240 195 I C 2.198 178.383 176.117 0.112 0.000 1.081 195 I CA 1.123 62.452 61.300 0.047 0.000 1.353 195 I CB -0.464 37.472 38.000 -0.107 0.000 1.054 195 I HN 0.326 nan 8.210 nan 0.000 0.407 196 Y N 1.064 121.215 120.300 -0.248 0.000 2.403 196 Y HA -0.216 4.347 4.550 0.022 0.000 0.291 196 Y C 2.489 178.355 175.900 -0.057 0.000 1.143 196 Y CA 0.996 58.876 58.100 -0.366 0.000 1.257 196 Y CB -0.763 37.482 38.460 -0.358 0.000 0.984 196 Y HN 0.212 nan 8.280 nan 0.000 0.550 197 K N -1.411 118.981 120.400 -0.014 0.000 2.284 197 K HA 0.019 4.352 4.320 0.022 0.000 0.198 197 K C 0.798 177.079 176.600 -0.531 0.000 1.048 197 K CA 0.723 56.792 56.287 -0.363 0.000 0.987 197 K CB 0.061 32.084 32.500 -0.795 0.000 0.800 197 K HN 0.170 nan 8.250 nan 0.000 0.486 198 F N -1.216 118.737 119.950 0.005 0.000 2.778 198 F HA 0.182 4.722 4.527 0.021 0.000 0.314 198 F C 0.815 176.676 175.800 0.102 0.000 1.073 198 F CA -0.608 57.404 58.000 0.021 0.000 1.218 198 F CB 0.179 39.152 39.000 -0.044 0.000 1.037 198 F HN -0.016 nan 8.300 nan 0.000 0.594 199 H N 3.613 122.876 119.070 0.321 0.000 2.886 199 H HA 0.058 4.627 4.556 0.022 0.000 0.329 199 H C -1.858 173.619 175.328 0.249 0.000 1.044 199 H CA -1.166 55.057 56.048 0.293 0.000 1.456 199 H CB 1.549 31.540 29.762 0.381 0.000 1.464 199 H HN -0.087 nan 8.280 nan 0.000 0.573 200 P HA -0.159 nan 4.420 nan 0.000 0.218 200 P C 1.112 178.409 177.300 -0.005 0.000 1.146 200 P CA 1.086 64.109 63.100 -0.128 0.000 0.813 200 P CB 0.317 31.882 31.700 -0.226 0.000 0.778 201 E N -2.145 118.145 120.200 0.149 0.000 2.268 201 E HA -0.089 4.274 4.350 0.022 0.000 0.195 201 E C 1.104 177.486 176.600 -0.363 0.000 0.995 201 E CA 1.103 57.427 56.400 -0.127 0.000 0.836 201 E CB -0.186 29.328 29.700 -0.311 0.000 0.763 201 E HN 0.414 nan 8.360 nan 0.000 0.491 202 F N -1.051 119.043 119.950 0.240 0.000 2.729 202 F HA 0.295 4.835 4.527 0.022 0.000 0.304 202 F C 2.128 178.087 175.800 0.266 0.000 1.008 202 F CA 0.215 58.376 58.000 0.268 0.000 1.188 202 F CB -0.546 38.642 39.000 0.314 0.000 0.980 202 F HN -0.132 nan 8.300 nan 0.000 0.627 203 A N 0.747 123.773 122.820 0.343 0.000 1.958 203 A HA -0.224 4.109 4.320 0.022 0.000 0.221 203 A C 1.747 179.375 177.584 0.074 0.000 1.178 203 A CA 2.404 54.528 52.037 0.146 0.000 0.642 203 A CB -0.630 18.413 19.000 0.072 0.000 0.816 203 A HN 0.405 nan 8.150 nan 0.000 0.453 204 N N -0.964 117.788 118.700 0.086 0.000 2.220 204 N HA 0.282 5.035 4.740 0.022 0.000 0.195 204 N C 0.434 175.976 175.510 0.054 0.000 1.123 204 N CA 0.708 53.780 53.050 0.038 0.000 0.874 204 N CB 0.091 38.589 38.487 0.018 0.000 0.995 204 N HN 0.471 nan 8.380 nan 0.000 0.498 205 A N 0.970 123.874 122.820 0.141 0.000 2.304 205 A HA 0.278 4.611 4.320 0.022 0.000 0.271 205 A C 0.198 177.878 177.584 0.160 0.000 1.091 205 A CA -0.310 51.829 52.037 0.170 0.000 0.812 205 A CB 0.634 19.772 19.000 0.229 0.000 1.056 205 A HN 0.116 nan 8.150 nan 0.000 0.489 206 E N 0.066 120.352 120.200 0.142 0.000 2.259 206 E HA 0.542 4.905 4.350 0.022 0.000 0.281 206 E C -1.257 175.488 176.600 0.240 0.000 1.027 206 E CA 0.106 56.543 56.400 0.062 0.000 0.838 206 E CB 0.913 30.644 29.700 0.051 0.000 1.066 206 E HN 0.569 nan 8.360 nan 0.000 0.401 207 F N -0.782 119.176 119.950 0.014 0.000 2.767 207 F HA 0.256 4.796 4.527 0.022 0.000 0.317 207 F C -1.140 174.541 175.800 -0.200 0.000 1.119 207 F CA -1.241 56.745 58.000 -0.022 0.000 0.971 207 F CB 0.631 39.725 39.000 0.156 0.000 1.251 207 F HN 0.092 nan 8.300 nan 0.000 0.450 208 E N 2.642 122.663 120.200 -0.299 0.000 2.314 208 E HA 0.512 4.875 4.350 0.022 0.000 0.262 208 E C -0.488 175.747 176.600 -0.608 0.000 1.093 208 E CA -0.618 55.438 56.400 -0.575 0.000 0.908 208 E CB 2.174 31.293 29.700 -0.969 0.000 1.091 208 E HN 0.688 nan 8.360 nan 0.000 0.425 209 I N 1.793 122.095 120.570 -0.447 0.000 2.371 209 I HA 0.150 4.333 4.170 0.022 0.000 0.282 209 I C 0.509 176.520 176.117 -0.176 0.000 1.031 209 I CA -0.471 60.649 61.300 -0.301 0.000 1.180 209 I CB 0.446 38.365 38.000 -0.135 0.000 1.336 209 I HN 0.537 nan 8.210 nan 0.000 0.467 210 W N 5.189 126.513 121.300 0.041 0.000 2.425 210 W HA -0.077 4.595 4.660 0.021 0.000 0.277 210 W C 0.483 177.105 176.519 0.173 0.000 1.231 210 W CA 0.129 57.522 57.345 0.081 0.000 1.248 210 W CB 0.112 29.609 29.460 0.061 0.000 1.117 210 W HN 0.442 nan 8.180 nan 0.000 0.568 211 Y N -0.739 119.667 120.300 0.177 0.000 2.661 211 Y HA 0.449 5.012 4.550 0.020 0.000 0.339 211 Y C 0.055 175.985 175.900 0.050 0.000 1.186 211 Y CA -0.845 57.321 58.100 0.109 0.000 1.137 211 Y CB 0.463 38.982 38.460 0.099 0.000 1.354 211 Y HN 0.074 nan 8.280 nan 0.000 0.469 212 G N 3.208 111.489 108.800 -0.866 0.000 2.629 212 G HA2 0.358 4.331 3.960 0.022 0.000 0.686 212 G HA3 0.358 4.331 3.960 0.022 0.000 0.686 212 G C -1.698 173.097 174.900 -0.176 0.000 1.232 212 G CA -0.235 44.490 45.100 -0.625 0.000 0.803 212 G HN 1.418 nan 8.290 nan 0.000 0.638 213 D N 0.715 121.121 120.400 0.009 0.000 2.087 213 D HA 0.387 5.040 4.640 0.022 0.000 0.161 213 D C -1.143 175.273 176.300 0.194 0.000 1.196 213 D CA -0.189 53.882 54.000 0.118 0.000 0.916 213 D CB 1.259 42.109 40.800 0.083 0.000 2.216 213 D HN 0.223 nan 8.370 nan 0.000 0.512 214 P HA -0.080 nan 4.420 nan 0.000 0.221 214 P C 0.294 177.624 177.300 0.051 0.000 1.145 214 P CA 0.755 63.927 63.100 0.119 0.000 0.795 214 P CB 0.367 32.160 31.700 0.156 0.000 0.775 215 D N -0.463 119.959 120.400 0.037 0.000 2.340 215 D HA 0.026 4.679 4.640 0.022 0.000 0.220 215 D C 0.810 177.079 176.300 -0.053 0.000 1.039 215 D CA 0.601 54.583 54.000 -0.030 0.000 0.866 215 D CB 0.257 41.044 40.800 -0.023 0.000 0.913 215 D HN 0.320 nan 8.370 nan 0.000 0.523 216 K N 0.798 121.155 120.400 -0.072 0.000 2.328 216 K HA 0.170 4.503 4.320 0.022 0.000 0.246 216 K C -1.237 175.220 176.600 -0.239 0.000 0.955 216 K CA -0.689 55.476 56.287 -0.203 0.000 0.817 216 K CB 2.231 34.524 32.500 -0.345 0.000 1.208 216 K HN -0.281 nan 8.250 nan 0.000 0.432 217 D N 2.392 122.657 120.400 -0.225 0.000 2.317 217 D HA 0.095 4.748 4.640 0.022 0.000 0.234 217 D C -0.006 176.171 176.300 -0.204 0.000 1.112 217 D CA -0.235 53.688 54.000 -0.128 0.000 0.840 217 D CB 0.674 41.432 40.800 -0.070 0.000 1.078 217 D HN 0.630 nan 8.370 nan 0.000 0.486 218 H N 3.246 122.303 119.070 -0.022 0.000 2.547 218 H HA 0.122 4.690 4.556 0.021 0.000 0.274 218 H C 1.569 176.897 175.328 0.001 0.000 1.024 218 H CA 0.440 56.486 56.048 -0.004 0.000 1.155 218 H CB 0.458 30.224 29.762 0.007 0.000 1.344 218 H HN 0.733 nan 8.280 nan 0.000 0.598 219 G N 1.082 109.911 108.800 0.048 0.000 2.611 219 G HA2 -0.382 3.591 3.960 0.022 0.000 0.301 219 G HA3 -0.382 3.591 3.960 0.022 0.000 0.301 219 G C 1.095 176.000 174.900 0.008 0.000 1.233 219 G CA 0.575 45.683 45.100 0.014 0.000 0.993 219 G HN 0.404 nan 8.290 nan 0.000 0.553 220 S N 0.707 116.408 115.700 0.003 0.000 2.603 220 S HA 0.352 4.835 4.470 0.022 0.000 0.220 220 S C 0.948 175.561 174.600 0.021 0.000 0.967 220 S CA 0.826 59.019 58.200 -0.011 0.000 0.920 220 S CB 0.168 63.359 63.200 -0.017 0.000 0.773 220 S HN 0.714 nan 8.310 nan 0.000 0.529 221 S N 3.398 119.139 115.700 0.070 0.000 2.422 221 S HA 0.356 4.839 4.470 0.022 0.000 0.283 221 S C 0.368 175.032 174.600 0.107 0.000 1.163 221 S CA -0.534 57.730 58.200 0.108 0.000 1.054 221 S CB 0.435 63.762 63.200 0.212 0.000 0.967 221 S HN 0.555 nan 8.310 nan 0.000 0.499 222 T N 1.685 116.286 114.554 0.078 0.000 2.893 222 T HA 0.723 5.086 4.350 0.022 0.000 0.293 222 T C -0.779 173.971 174.700 0.084 0.000 1.027 222 T CA -0.841 61.310 62.100 0.084 0.000 0.988 222 T CB 1.105 70.041 68.868 0.114 0.000 1.043 222 T HN 0.430 nan 8.240 nan 0.000 0.461 223 L N 1.703 122.985 121.223 0.098 0.000 2.464 223 L HA 0.573 4.926 4.340 0.022 0.000 0.266 223 L C -1.033 175.904 176.870 0.111 0.000 0.965 223 L CA -0.585 54.311 54.840 0.093 0.000 0.833 223 L CB 2.150 44.274 42.059 0.108 0.000 1.296 223 L HN 0.864 nan 8.230 nan 0.000 0.405 224 E N 2.146 122.426 120.200 0.132 0.000 2.234 224 E HA 0.269 4.632 4.350 0.022 0.000 0.266 224 E C 0.508 177.168 176.600 0.100 0.000 0.877 224 E CA -0.313 56.171 56.400 0.140 0.000 0.758 224 E CB 2.266 32.111 29.700 0.242 0.000 1.170 224 E HN 0.827 nan 8.360 nan 0.000 0.415 225 G N 2.913 111.746 108.800 0.055 0.000 2.649 225 G HA2 -0.377 3.596 3.960 0.022 0.000 0.220 225 G HA3 -0.377 3.596 3.960 0.022 0.000 0.220 225 G C 1.336 176.273 174.900 0.062 0.000 1.189 225 G CA 1.191 46.324 45.100 0.055 0.000 0.777 225 G HN 0.694 nan 8.290 nan 0.000 0.602 226 G N 0.147 108.921 108.800 -0.043 0.000 2.532 226 G HA2 -0.216 3.757 3.960 0.022 0.000 0.222 226 G HA3 -0.216 3.757 3.960 0.022 0.000 0.222 226 G C 1.373 176.372 174.900 0.164 0.000 1.102 226 G CA 1.385 46.498 45.100 0.022 0.000 0.742 226 G HN 0.426 nan 8.290 nan 0.000 0.577 227 D N -0.622 119.883 120.400 0.176 0.000 2.349 227 D HA 0.143 4.796 4.640 0.022 0.000 0.215 227 D C 1.199 177.582 176.300 0.140 0.000 1.016 227 D CA 0.116 54.215 54.000 0.165 0.000 0.870 227 D CB 0.672 41.556 40.800 0.140 0.000 0.917 227 D HN 0.175 nan 8.370 nan 0.000 0.524 231 I N -1.375 119.164 120.570 -0.051 0.000 3.176 231 I HA 0.409 4.592 4.170 0.022 0.000 0.275 231 I C 0.725 176.817 176.117 -0.041 0.000 1.298 231 I CA 1.011 62.231 61.300 -0.133 0.000 1.445 231 I CB -0.307 37.600 38.000 -0.155 0.000 1.075 231 I HN 0.587 nan 8.210 nan 0.000 0.482 232 G N 1.663 110.555 108.800 0.153 0.000 2.541 232 G HA2 -0.202 3.771 3.960 0.022 0.000 0.686 232 G HA3 -0.202 3.771 3.960 0.022 0.000 0.686 232 G C -0.127 174.890 174.900 0.196 0.000 1.286 232 G CA -0.289 44.986 45.100 0.293 0.000 0.894 232 G HN 0.558 nan 8.290 nan 0.000 0.575 233 N N -0.738 118.084 118.700 0.204 0.000 2.727 233 N HA 0.122 4.875 4.740 0.022 0.000 0.249 233 N C 1.783 177.321 175.510 0.047 0.000 1.048 233 N CA 3.033 56.142 53.050 0.099 0.000 0.714 233 N CB -1.016 37.486 38.487 0.025 0.000 0.959 233 N HN 2.715 nan 8.380 nan 0.000 0.544 234 G N -2.657 106.153 108.800 0.016 0.000 2.175 234 G HA2 -0.302 3.671 3.960 0.022 0.000 0.265 234 G HA3 -0.302 3.671 3.960 0.022 0.000 0.265 234 G C 0.186 175.138 174.900 0.087 0.000 0.979 234 G CA 0.671 45.741 45.100 -0.051 0.000 0.663 234 G HN 0.715 nan 8.290 nan 0.000 0.533 235 V N -0.367 119.649 119.914 0.169 0.000 2.834 235 V HA 0.775 4.908 4.120 0.022 0.000 0.313 235 V C 0.354 176.577 176.094 0.216 0.000 1.060 235 V CA -0.732 61.665 62.300 0.162 0.000 0.989 235 V CB 2.108 33.978 31.823 0.077 0.000 1.041 235 V HN 0.336 nan 8.190 nan 0.000 0.459 236 V N 4.075 124.081 119.914 0.153 0.000 2.668 236 V HA 0.456 4.589 4.120 0.022 0.000 0.304 236 V C -0.619 175.535 176.094 0.101 0.000 1.071 236 V CA -0.485 61.875 62.300 0.099 0.000 0.894 236 V CB 1.844 33.694 31.823 0.046 0.000 1.008 236 V HN 0.622 nan 8.190 nan 0.000 0.425 237 L N 5.571 126.869 121.223 0.125 0.000 2.295 237 L HA 0.668 5.021 4.340 0.022 0.000 0.285 237 L C -0.720 176.227 176.870 0.129 0.000 1.035 237 L CA -0.427 54.513 54.840 0.165 0.000 0.806 237 L CB 1.514 43.731 42.059 0.263 0.000 1.214 237 L HN 0.474 nan 8.230 nan 0.000 0.426 238 I N 2.075 122.706 120.570 0.101 0.000 2.500 238 I HA 0.347 4.530 4.170 0.022 0.000 0.286 238 I C 0.615 176.759 176.117 0.045 0.000 1.063 238 I CA -0.397 60.940 61.300 0.061 0.000 1.062 238 I CB 2.012 40.019 38.000 0.011 0.000 1.223 238 I HN 0.669 nan 8.210 nan 0.000 0.435 242 E N 0.258 120.330 120.200 -0.214 0.000 2.274 242 E HA 0.033 4.396 4.350 0.022 0.000 0.194 242 E C 2.157 178.516 176.600 -0.401 0.000 0.996 242 E CA 0.602 56.829 56.400 -0.287 0.000 0.840 242 E CB 0.205 29.711 29.700 -0.324 0.000 0.772 242 E HN 0.258 nan 8.360 nan 0.000 0.491 243 R N -0.276 120.026 120.500 -0.331 0.000 2.344 243 R HA 0.246 4.599 4.340 0.022 0.000 0.209 243 R C 0.312 176.595 176.300 -0.028 0.000 0.886 243 R CA 0.093 56.050 56.100 -0.237 0.000 1.040 243 R CB 0.692 30.854 30.300 -0.230 0.000 1.114 243 R HN -0.143 nan 8.270 nan 0.000 0.547 244 S N 1.342 117.022 115.700 -0.034 0.000 2.530 244 S HA 0.310 4.793 4.470 0.022 0.000 0.322 244 S C -0.134 174.453 174.600 -0.021 0.000 1.085 244 S CA -0.598 57.606 58.200 0.006 0.000 1.096 244 S CB 2.027 65.238 63.200 0.018 0.000 0.988 244 S HN 0.227 nan 8.310 nan 0.000 0.466 245 S N 2.652 118.346 115.700 -0.009 0.000 2.672 245 S HA 0.357 4.840 4.470 0.022 0.000 0.276 245 S C 1.310 175.873 174.600 -0.061 0.000 1.207 245 S CA -0.991 57.192 58.200 -0.028 0.000 1.002 245 S CB 0.831 64.030 63.200 -0.003 0.000 0.998 245 S HN 0.830 nan 8.310 nan 0.000 0.542 246 R N 0.583 121.036 120.500 -0.078 0.000 2.120 246 R HA -0.133 4.220 4.340 0.022 0.000 0.234 246 R C 1.585 177.822 176.300 -0.106 0.000 1.123 246 R CA 1.370 57.405 56.100 -0.108 0.000 0.975 246 R CB -0.711 29.513 30.300 -0.127 0.000 0.866 246 R HN 0.629 nan 8.270 nan 0.000 0.446 247 Q N 1.213 120.968 119.800 -0.076 0.000 2.084 247 Q HA -0.040 4.313 4.340 0.022 0.000 0.202 247 Q C 2.280 178.237 176.000 -0.072 0.000 0.978 247 Q CA 2.354 58.120 55.803 -0.062 0.000 0.844 247 Q CB -0.215 28.511 28.738 -0.021 0.000 0.898 247 Q HN 0.555 nan 8.270 nan 0.000 0.426 248 A N 0.005 122.781 122.820 -0.073 0.000 1.930 248 A HA -0.064 4.269 4.320 0.022 0.000 0.215 248 A C 2.049 179.424 177.584 -0.349 0.000 1.176 248 A CA 0.780 52.715 52.037 -0.170 0.000 0.632 248 A CB -0.501 18.466 19.000 -0.055 0.000 0.819 248 A HN 0.324 nan 8.150 nan 0.000 0.445 249 I N -0.060 120.376 120.570 -0.224 0.000 2.208 249 I HA -0.231 3.952 4.170 0.022 0.000 0.245 249 I C 2.710 178.681 176.117 -0.244 0.000 1.097 249 I CA 1.202 62.367 61.300 -0.225 0.000 1.363 249 I CB -0.662 37.253 38.000 -0.143 0.000 1.051 249 I HN 0.398 nan 8.210 nan 0.000 0.413 250 G N 0.125 108.806 108.800 -0.198 0.000 2.440 250 G HA2 -0.267 3.706 3.960 0.022 0.000 0.218 250 G HA3 -0.267 3.706 3.960 0.022 0.000 0.218 250 G C 1.559 176.344 174.900 -0.192 0.000 1.154 250 G CA 0.537 45.535 45.100 -0.171 0.000 0.767 250 G HN 0.433 nan 8.290 nan 0.000 0.552 251 Q N -0.351 119.313 119.800 -0.226 0.000 2.167 251 Q HA -0.004 4.349 4.340 0.022 0.000 0.202 251 Q C 2.799 178.613 176.000 -0.309 0.000 0.970 251 Q CA 0.999 56.676 55.803 -0.209 0.000 0.855 251 Q CB -0.124 28.533 28.738 -0.134 0.000 0.911 251 Q HN 0.407 nan 8.270 nan 0.000 0.438 252 V N 0.791 120.405 119.914 -0.500 0.000 2.283 252 V HA -0.230 3.903 4.120 0.022 0.000 0.243 252 V C 2.267 178.134 176.094 -0.379 0.000 1.039 252 V CA 1.732 63.779 62.300 -0.421 0.000 1.016 252 V CB -0.894 30.673 31.823 -0.427 0.000 0.650 252 V HN 0.386 nan 8.190 nan 0.000 0.449 253 A N -0.680 121.878 122.820 -0.436 0.000 1.892 253 A HA -0.356 3.976 4.320 0.022 0.000 0.218 253 A C 2.250 179.336 177.584 -0.830 0.000 1.188 253 A CA 2.438 54.043 52.037 -0.720 0.000 0.631 253 A CB -0.704 17.964 19.000 -0.553 0.000 0.822 253 A HN 0.605 nan 8.150 nan 0.000 0.447 254 Q N -0.534 119.043 119.800 -0.372 0.000 2.096 254 Q HA -0.201 4.152 4.340 0.022 0.000 0.204 254 Q C 2.317 178.275 176.000 -0.071 0.000 0.982 254 Q CA 2.071 57.801 55.803 -0.122 0.000 0.850 254 Q CB -0.238 28.503 28.738 0.005 0.000 0.901 254 Q HN 0.648 nan 8.270 nan 0.000 0.422 255 S N -0.322 115.331 115.700 -0.079 0.000 2.383 255 S HA -0.083 4.400 4.470 0.022 0.000 0.227 255 S C 1.907 176.513 174.600 0.010 0.000 1.026 255 S CA 0.831 59.060 58.200 0.049 0.000 0.981 255 S CB -0.184 63.112 63.200 0.159 0.000 0.818 255 S HN 0.459 nan 8.310 nan 0.000 0.472 256 L N -0.007 121.068 121.223 -0.248 0.000 2.093 256 L HA -0.013 4.340 4.340 0.022 0.000 0.208 256 L C 2.241 179.074 176.870 -0.062 0.000 1.085 256 L CA 1.017 55.616 54.840 -0.402 0.000 0.755 256 L CB -0.536 41.164 42.059 -0.597 0.000 0.904 256 L HN 0.313 nan 8.230 nan 0.000 0.435 257 F N 0.134 120.041 119.950 -0.072 0.000 2.163 257 F HA -0.062 4.478 4.527 0.022 0.000 0.297 257 F C 2.647 178.451 175.800 0.007 0.000 1.094 257 F CA 0.546 58.526 58.000 -0.032 0.000 1.290 257 F CB -1.451 37.541 39.000 -0.013 0.000 1.017 257 F HN -0.007 nan 8.300 nan 0.000 0.483 258 A N -0.261 122.694 122.820 0.226 0.000 1.948 258 A HA -0.225 4.108 4.320 0.022 0.000 0.220 258 A C 1.989 179.665 177.584 0.154 0.000 1.177 258 A CA 1.802 53.938 52.037 0.166 0.000 0.636 258 A CB -0.622 18.467 19.000 0.147 0.000 0.815 258 A HN 0.236 nan 8.150 nan 0.000 0.449 259 K N -1.459 119.048 120.400 0.179 0.000 2.387 259 K HA 0.319 4.652 4.320 0.022 0.000 0.198 259 K C 0.884 177.581 176.600 0.162 0.000 1.022 259 K CA 0.653 57.059 56.287 0.199 0.000 1.128 259 K CB 0.032 32.736 32.500 0.339 0.000 0.853 259 K HN 0.621 nan 8.250 nan 0.000 0.523 260 G N 0.501 109.379 108.800 0.129 0.000 2.225 260 G HA2 -0.340 3.633 3.960 0.022 0.000 0.267 260 G HA3 -0.340 3.633 3.960 0.022 0.000 0.267 260 G C 0.794 175.728 174.900 0.057 0.000 1.024 260 G CA 0.439 45.592 45.100 0.088 0.000 0.784 260 G HN 0.385 nan 8.290 nan 0.000 0.507 261 A N -1.364 121.471 122.820 0.024 0.000 2.208 261 A HA 0.753 5.086 4.320 0.022 0.000 0.209 261 A C 1.346 178.845 177.584 -0.141 0.000 1.161 261 A CA 1.705 53.701 52.037 -0.069 0.000 0.782 261 A CB 0.066 18.878 19.000 -0.314 0.000 0.816 261 A HN 2.282 nan 8.150 nan 0.000 0.477 262 A N -1.271 121.539 122.820 -0.016 0.000 2.605 262 A HA 0.611 4.944 4.320 0.022 0.000 0.294 262 A C -0.060 177.618 177.584 0.156 0.000 1.062 262 A CA -0.270 51.791 52.037 0.040 0.000 0.682 262 A CB 0.421 19.497 19.000 0.127 0.000 1.278 262 A HN 0.123 nan 8.150 nan 0.000 0.410 263 E N -0.146 120.102 120.200 0.081 0.000 2.307 263 E HA 0.167 4.530 4.350 0.022 0.000 0.195 263 E C 0.618 177.227 176.600 0.014 0.000 0.975 263 E CA 0.406 56.796 56.400 -0.017 0.000 0.878 263 E CB 0.595 30.270 29.700 -0.042 0.000 0.845 263 E HN 0.505 nan 8.360 nan 0.000 0.488 264 R N 0.223 120.841 120.500 0.196 0.000 2.629 264 R HA 0.380 4.733 4.340 0.022 0.000 0.266 264 R C -2.068 174.390 176.300 0.264 0.000 1.051 264 R CA -0.454 55.790 56.100 0.239 0.000 0.895 264 R CB 1.941 32.303 30.300 0.104 0.000 1.246 264 R HN -0.129 nan 8.270 nan 0.000 0.459 265 V N 5.089 125.164 119.914 0.269 0.000 2.407 265 V HA 0.456 4.589 4.120 0.022 0.000 0.291 265 V C -0.336 175.845 176.094 0.145 0.000 1.018 265 V CA -0.617 61.771 62.300 0.147 0.000 0.842 265 V CB 1.635 33.485 31.823 0.045 0.000 0.996 265 V HN 0.594 nan 8.190 nan 0.000 0.426 266 I N 5.381 126.031 120.570 0.133 0.000 2.304 266 I HA 0.314 4.497 4.170 0.022 0.000 0.291 266 I C -0.074 176.146 176.117 0.172 0.000 1.018 266 I CA -0.457 60.935 61.300 0.154 0.000 1.260 266 I CB 1.673 39.755 38.000 0.137 0.000 1.390 266 I HN 0.291 nan 8.210 nan 0.000 0.475 267 V N 6.582 126.612 119.914 0.194 0.000 2.408 267 V HA 0.336 4.469 4.120 0.022 0.000 0.267 267 V C 0.749 176.976 176.094 0.221 0.000 1.047 267 V CA -0.588 61.816 62.300 0.172 0.000 0.937 267 V CB 0.917 32.830 31.823 0.149 0.000 0.999 267 V HN 0.817 nan 8.190 nan 0.000 0.472 268 A N 4.459 127.343 122.820 0.107 0.000 2.343 268 A HA 0.587 4.919 4.320 0.022 0.000 0.305 268 A C 0.917 178.465 177.584 -0.059 0.000 1.308 268 A CA 0.026 52.018 52.037 -0.075 0.000 0.949 268 A CB -0.009 18.770 19.000 -0.369 0.000 1.148 268 A HN 1.027 nan 8.150 nan 0.000 0.545 269 G N 3.041 111.872 108.800 0.052 0.000 2.439 269 G HA2 0.462 4.435 3.960 0.022 0.000 0.298 269 G HA3 0.462 4.435 3.960 0.022 0.000 0.298 269 G C -0.064 174.815 174.900 -0.036 0.000 1.044 269 G CA -0.367 44.792 45.100 0.098 0.000 1.168 269 G HN 0.713 nan 8.290 nan 0.000 0.433 270 L N 4.754 125.935 121.223 -0.071 0.000 2.349 270 L HA 0.306 4.659 4.340 0.022 0.000 0.275 270 L C -1.366 175.473 176.870 -0.052 0.000 1.115 270 L CA -1.738 53.047 54.840 -0.092 0.000 0.820 270 L CB 1.084 43.081 42.059 -0.102 0.000 1.135 270 L HN 0.373 nan 8.230 nan 0.000 0.445 271 P HA 0.056 nan 4.420 nan 0.000 0.271 271 P C -0.717 176.568 177.300 -0.026 0.000 1.216 271 P CA -0.605 62.481 63.100 -0.023 0.000 0.776 271 P CB 0.843 32.533 31.700 -0.016 0.000 0.881 272 K N 2.033 122.421 120.400 -0.022 0.000 2.524 272 K HA 0.190 4.523 4.320 0.022 0.000 0.279 272 K C 0.070 176.658 176.600 -0.021 0.000 0.993 272 K CA 0.614 56.885 56.287 -0.027 0.000 1.030 272 K CB -0.137 32.351 32.500 -0.019 0.000 0.891 272 K HN 0.690 nan 8.250 nan 0.000 0.488 273 S N 2.421 118.101 115.700 -0.032 0.000 2.671 273 S HA 0.545 5.028 4.470 0.022 0.000 0.277 273 S C 0.094 174.673 174.600 -0.035 0.000 1.165 273 S CA -1.045 57.141 58.200 -0.024 0.000 0.822 273 S CB 1.686 64.872 63.200 -0.024 0.000 1.150 273 S HN 0.630 nan 8.310 nan 0.000 0.479 274 R N 0.348 120.832 120.500 -0.025 0.000 2.167 274 R HA 0.469 4.822 4.340 0.022 0.000 0.201 274 R C 0.810 177.090 176.300 -0.034 0.000 1.024 274 R CA 0.449 56.535 56.100 -0.024 0.000 1.053 274 R CB -0.371 29.926 30.300 -0.005 0.000 0.987 274 R HN 0.712 nan 8.270 nan 0.000 0.493 275 A N 2.429 125.231 122.820 -0.030 0.000 2.473 275 A HA 0.499 4.832 4.320 0.022 0.000 0.282 275 A C 0.586 178.126 177.584 -0.074 0.000 1.163 275 A CA -0.136 51.879 52.037 -0.037 0.000 0.827 275 A CB -0.296 18.687 19.000 -0.029 0.000 1.098 275 A HN 0.416 nan 8.150 nan 0.000 0.515 279 L N 1.395 122.703 121.223 0.141 0.000 2.013 279 L HA -0.154 4.199 4.340 0.022 0.000 0.212 279 L C 1.857 178.826 176.870 0.165 0.000 1.073 279 L CA 2.618 57.517 54.840 0.099 0.000 0.753 279 L CB -0.483 41.633 42.059 0.095 0.000 0.890 279 L HN 0.897 nan 8.230 nan 0.000 0.432 280 D N -2.950 117.546 120.400 0.159 0.000 2.392 280 D HA -0.129 4.524 4.640 0.022 0.000 0.228 280 D C 1.523 177.841 176.300 0.029 0.000 1.003 280 D CA 1.015 55.047 54.000 0.053 0.000 0.917 280 D CB -0.387 40.419 40.800 0.010 0.000 0.890 280 D HN 0.322 nan 8.370 nan 0.000 0.532 281 T N -0.561 114.036 114.554 0.071 0.000 3.051 281 T HA 0.038 4.401 4.350 0.022 0.000 0.255 281 T C 1.586 176.291 174.700 0.009 0.000 1.085 281 T CA 0.982 63.099 62.100 0.028 0.000 1.109 281 T CB 0.379 69.268 68.868 0.036 0.000 0.921 281 T HN 0.276 nan 8.240 nan 0.000 0.488 282 V N -2.157 117.805 119.914 0.081 0.000 3.398 282 V HA 0.578 4.711 4.120 0.022 0.000 0.298 282 V C -0.289 175.962 176.094 0.261 0.000 1.496 282 V CA -0.682 61.711 62.300 0.155 0.000 1.044 282 V CB -0.183 31.759 31.823 0.198 0.000 0.880 282 V HN 0.238 nan 8.190 nan 0.000 0.443 283 F N 0.356 120.307 119.950 0.002 0.000 2.604 283 F HA 0.806 5.345 4.527 0.020 0.000 0.316 283 F C -0.933 174.822 175.800 -0.075 0.000 1.136 283 F CA -0.202 57.791 58.000 -0.011 0.000 0.989 283 F CB 2.096 41.123 39.000 0.044 0.000 1.258 283 F HN -0.081 nan 8.300 nan 0.000 0.451 284 S N 4.829 120.102 115.700 -0.711 0.000 2.543 284 S HA 0.520 5.003 4.470 0.022 0.000 0.273 284 S C -1.427 172.793 174.600 -0.632 0.000 1.152 284 S CA -0.527 57.334 58.200 -0.564 0.000 0.910 284 S CB 1.025 64.047 63.200 -0.297 0.000 1.105 284 S HN 0.483 nan 8.310 nan 0.000 0.465 285 F N 0.955 120.668 119.950 -0.396 0.000 2.399 285 F HA 0.304 4.844 4.527 0.021 0.000 0.342 285 F C 1.275 177.000 175.800 -0.125 0.000 1.106 285 F CA -0.035 57.826 58.000 -0.231 0.000 1.196 285 F CB 0.756 39.697 39.000 -0.099 0.000 1.163 285 F HN 0.640 nan 8.300 nan 0.000 0.547 286 C N 0.338 119.691 119.300 0.087 0.000 3.294 286 C HA 0.254 4.727 4.460 0.022 0.000 0.441 286 C C -0.005 175.029 174.990 0.072 0.000 1.364 286 C CA 0.138 59.184 59.018 0.047 0.000 2.059 286 C CB -0.119 27.611 27.740 -0.016 0.000 2.925 286 C HN 0.851 nan 8.230 nan 0.000 0.633 287 D N -1.166 119.303 120.400 0.116 0.000 2.692 287 D HA 0.172 4.825 4.640 0.022 0.000 0.303 287 D C 0.681 177.084 176.300 0.172 0.000 1.278 287 D CA -0.631 53.429 54.000 0.099 0.000 0.852 287 D CB 0.738 41.570 40.800 0.054 0.000 1.375 287 D HN -0.112 nan 8.370 nan 0.000 0.453 288 R N 0.173 120.741 120.500 0.114 0.000 2.140 288 R HA -0.198 4.155 4.340 0.022 0.000 0.250 288 R C 0.055 176.524 176.300 0.283 0.000 1.150 288 R CA 2.496 58.680 56.100 0.140 0.000 0.966 288 R CB -0.119 30.184 30.300 0.005 0.000 0.869 288 R HN 0.486 nan 8.270 nan 0.000 0.445 289 D N -0.903 119.617 120.400 0.201 0.000 2.760 289 D HA 0.107 4.760 4.640 0.022 0.000 0.314 289 D C -0.273 176.093 176.300 0.110 0.000 1.464 289 D CA -0.261 53.855 54.000 0.194 0.000 0.797 289 D CB -0.249 40.633 40.800 0.136 0.000 1.149 289 D HN 0.129 nan 8.370 nan 0.000 0.455 290 L N 1.069 122.353 121.223 0.101 0.000 2.408 290 L HA 0.667 5.020 4.340 0.022 0.000 0.268 290 L C -1.236 175.564 176.870 -0.117 0.000 0.986 290 L CA -0.904 53.935 54.840 -0.002 0.000 0.820 290 L CB 2.099 44.162 42.059 0.008 0.000 1.303 290 L HN 0.019 nan 8.230 nan 0.000 0.411 291 V N 0.211 119.996 119.914 -0.214 0.000 2.971 291 V HA 0.683 4.816 4.120 0.022 0.000 0.309 291 V C -0.179 175.758 176.094 -0.262 0.000 1.130 291 V CA -0.553 61.500 62.300 -0.411 0.000 0.964 291 V CB 1.690 33.056 31.823 -0.761 0.000 1.029 291 V HN 0.830 nan 8.190 nan 0.000 0.427 292 T N 0.376 114.769 114.554 -0.269 0.000 2.918 292 T HA 0.865 5.228 4.350 0.022 0.000 0.283 292 T C -0.425 174.222 174.700 -0.089 0.000 1.001 292 T CA -0.714 61.304 62.100 -0.137 0.000 1.041 292 T CB 1.737 70.539 68.868 -0.110 0.000 1.028 292 T HN 1.149 nan 8.240 nan 0.000 0.511 293 V N 1.452 121.384 119.914 0.029 0.000 3.048 293 V HA 0.469 4.602 4.120 0.022 0.000 0.303 293 V C -1.550 174.666 176.094 0.204 0.000 1.214 293 V CA -1.049 61.339 62.300 0.146 0.000 0.984 293 V CB 2.356 34.270 31.823 0.152 0.000 1.054 293 V HN 0.942 nan 8.190 nan 0.000 0.430 294 F N 7.014 127.009 119.950 0.075 0.000 2.359 294 F HA 0.518 5.058 4.527 0.021 0.000 0.355 294 F C -1.675 174.167 175.800 0.069 0.000 1.132 294 F CA -2.542 55.500 58.000 0.070 0.000 1.246 294 F CB 1.328 40.374 39.000 0.076 0.000 1.569 294 F HN 0.343 nan 8.300 nan 0.000 0.561 295 P HA -0.331 nan 4.420 nan 0.000 0.222 295 P C 1.617 178.765 177.300 -0.253 0.000 1.159 295 P CA 2.216 65.229 63.100 -0.146 0.000 0.920 295 P CB 0.111 31.746 31.700 -0.109 0.000 0.793 296 E N -0.635 119.247 120.200 -0.529 0.000 2.108 296 E HA -0.226 4.137 4.350 0.022 0.000 0.203 296 E C 1.680 178.152 176.600 -0.214 0.000 1.022 296 E CA 1.997 58.145 56.400 -0.420 0.000 0.823 296 E CB -0.388 28.932 29.700 -0.632 0.000 0.744 296 E HN 0.021 nan 8.360 nan 0.000 0.456 297 V N 0.047 119.869 119.914 -0.153 0.000 2.379 297 V HA -0.157 3.975 4.120 0.022 0.000 0.243 297 V C 2.421 178.515 176.094 0.000 0.000 1.035 297 V CA 1.160 63.489 62.300 0.048 0.000 1.035 297 V CB -0.032 31.957 31.823 0.277 0.000 0.673 297 V HN 0.196 nan 8.190 nan 0.000 0.457 298 V N 0.278 120.206 119.914 0.023 0.000 2.392 298 V HA -0.230 3.902 4.120 0.022 0.000 0.249 298 V C 2.556 178.651 176.094 0.002 0.000 1.059 298 V CA 1.613 63.917 62.300 0.007 0.000 1.051 298 V CB -0.780 31.114 31.823 0.119 0.000 0.658 298 V HN 0.470 nan 8.190 nan 0.000 0.455 299 K N 0.082 120.478 120.400 -0.006 0.000 2.280 299 K HA -0.108 4.225 4.320 0.022 0.000 0.202 299 K C 1.737 178.327 176.600 -0.018 0.000 1.047 299 K CA 0.888 57.172 56.287 -0.005 0.000 0.942 299 K CB -0.240 32.246 32.500 -0.023 0.000 0.739 299 K HN 0.496 nan 8.250 nan 0.000 0.457 300 E N 0.123 120.302 120.200 -0.035 0.000 2.476 300 E HA 0.144 4.506 4.350 0.022 0.000 0.199 300 E C 0.575 177.137 176.600 -0.063 0.000 1.021 300 E CA -0.209 56.167 56.400 -0.040 0.000 0.907 300 E CB 0.269 29.949 29.700 -0.033 0.000 0.974 300 E HN 0.256 nan 8.360 nan 0.000 0.489 301 I N 1.912 122.417 120.570 -0.110 0.000 2.683 301 I HA -0.079 4.104 4.170 0.022 0.000 0.286 301 I C 0.071 176.120 176.117 -0.114 0.000 1.175 301 I CA 0.106 61.288 61.300 -0.197 0.000 1.429 301 I CB 0.669 38.360 38.000 -0.514 0.000 1.371 301 I HN -0.293 nan 8.210 nan 0.000 0.569 302 V N 8.955 128.811 119.914 -0.097 0.000 2.347 302 V HA 0.313 4.446 4.120 0.022 0.000 0.280 302 V C -2.072 173.893 176.094 -0.215 0.000 1.021 302 V CA -1.589 60.620 62.300 -0.153 0.000 0.847 302 V CB 1.084 32.825 31.823 -0.136 0.000 0.990 302 V HN 0.591 nan 8.190 nan 0.000 0.444 303 P HA 0.552 nan 4.420 nan 0.000 0.286 303 P C -1.268 175.800 177.300 -0.386 0.000 1.261 303 P CA -0.434 62.606 63.100 -0.099 0.000 0.821 303 P CB 1.034 32.789 31.700 0.091 0.000 1.013 304 F N -0.398 119.591 119.950 0.065 0.000 2.561 304 F HA 0.311 4.850 4.527 0.021 0.000 0.313 304 F C 0.350 176.185 175.800 0.059 0.000 1.126 304 F CA -0.475 57.554 58.000 0.049 0.000 0.918 304 F CB 2.042 41.064 39.000 0.036 0.000 1.199 304 F HN 0.072 nan 8.300 nan 0.000 0.444 305 S N 3.244 119.075 115.700 0.219 0.000 2.462 305 S HA 0.615 5.098 4.470 0.022 0.000 0.294 305 S C -1.192 173.513 174.600 0.174 0.000 1.144 305 S CA -0.447 57.850 58.200 0.161 0.000 1.088 305 S CB 1.230 64.488 63.200 0.096 0.000 1.009 305 S HN 0.415 nan 8.310 nan 0.000 0.484 306 L N 4.771 126.108 121.223 0.191 0.000 2.298 306 L HA 0.565 4.918 4.340 0.022 0.000 0.284 306 L C -0.386 176.662 176.870 0.296 0.000 1.013 306 L CA -0.027 54.954 54.840 0.236 0.000 0.824 306 L CB 0.745 42.936 42.059 0.220 0.000 1.221 306 L HN 0.618 nan 8.230 nan 0.000 0.418 307 R N 4.591 125.184 120.500 0.154 0.000 2.807 307 R HA 0.608 4.961 4.340 0.022 0.000 0.276 307 R C -2.518 173.573 176.300 -0.348 0.000 0.979 307 R CA -1.967 54.051 56.100 -0.136 0.000 0.928 307 R CB 1.450 31.680 30.300 -0.115 0.000 1.191 307 R HN 0.382 nan 8.270 nan 0.000 0.471 308 P HA -0.012 nan 4.420 nan 0.000 0.265 308 P C -1.034 176.107 177.300 -0.265 0.000 1.193 308 P CA 0.366 63.066 63.100 -0.667 0.000 0.765 308 P CB 0.466 31.710 31.700 -0.760 0.000 0.823 309 D N 3.603 123.922 120.400 -0.136 0.000 2.365 309 D HA 0.213 4.866 4.640 0.022 0.000 0.235 309 D C -2.131 174.120 176.300 -0.082 0.000 1.368 309 D CA -2.037 51.901 54.000 -0.104 0.000 1.001 309 D CB 1.043 41.785 40.800 -0.097 0.000 1.364 309 D HN -0.029 nan 8.370 nan 0.000 0.577 310 P HA -0.159 nan 4.420 nan 0.000 0.216 310 P C 1.302 178.569 177.300 -0.056 0.000 1.153 310 P CA 1.313 64.383 63.100 -0.049 0.000 0.858 310 P CB 0.245 31.919 31.700 -0.043 0.000 0.789 311 S N -2.144 113.517 115.700 -0.066 0.000 2.555 311 S HA 0.010 4.493 4.470 0.022 0.000 0.230 311 S C 1.069 175.609 174.600 -0.100 0.000 0.978 311 S CA 0.069 58.228 58.200 -0.068 0.000 0.934 311 S CB -0.829 62.335 63.200 -0.061 0.000 0.766 311 S HN 0.067 nan 8.310 nan 0.000 0.533 312 S N 1.666 117.279 115.700 -0.145 0.000 2.554 312 S HA 0.495 4.978 4.470 0.022 0.000 0.278 312 S C -1.773 172.693 174.600 -0.224 0.000 1.242 312 S CA -1.584 56.462 58.200 -0.255 0.000 1.051 312 S CB 1.041 63.981 63.200 -0.433 0.000 0.986 312 S HN 0.067 nan 8.310 nan 0.000 0.502 313 P HA -0.082 nan 4.420 nan 0.000 0.216 313 P C 0.297 177.610 177.300 0.020 0.000 1.150 313 P CA 1.342 64.404 63.100 -0.064 0.000 0.837 313 P CB -0.132 31.575 31.700 0.011 0.000 0.786 314 Y N -2.784 117.535 120.300 0.031 0.000 2.524 314 Y HA 0.598 5.162 4.550 0.023 0.000 0.266 314 Y C 1.071 177.006 175.900 0.058 0.000 1.180 314 Y CA -0.560 57.564 58.100 0.039 0.000 1.244 314 Y CB -0.736 37.743 38.460 0.032 0.000 1.125 314 Y HN -0.016 nan 8.280 nan 0.000 0.524 318 I N 1.769 122.421 120.570 0.137 0.000 2.569 318 I HA 0.591 4.774 4.170 0.022 0.000 0.296 318 I C -1.005 175.198 176.117 0.144 0.000 1.028 318 I CA -0.695 60.693 61.300 0.147 0.000 1.082 318 I CB 1.534 39.612 38.000 0.130 0.000 1.264 318 I HN 0.511 nan 8.210 nan 0.000 0.429 319 R N 5.625 126.230 120.500 0.175 0.000 2.564 319 R HA 0.383 4.736 4.340 0.022 0.000 0.284 319 R C -1.128 175.297 176.300 0.208 0.000 1.031 319 R CA -0.927 55.268 56.100 0.157 0.000 0.904 319 R CB 2.187 32.540 30.300 0.088 0.000 1.199 319 R HN 0.658 nan 8.270 nan 0.000 0.443 320 R N 2.632 123.241 120.500 0.183 0.000 2.298 320 R HA 0.083 4.436 4.340 0.022 0.000 0.310 320 R C -0.500 175.735 176.300 -0.108 0.000 1.068 320 R CA -0.231 55.852 56.100 -0.028 0.000 0.957 320 R CB 0.783 31.049 30.300 -0.056 0.000 1.003 320 R HN 0.426 nan 8.270 nan 0.000 0.454 321 E N 3.340 123.428 120.200 -0.188 0.000 2.354 321 E HA -0.016 4.347 4.350 0.022 0.000 0.269 321 E C 0.286 176.813 176.600 -0.123 0.000 1.036 321 E CA -0.151 56.180 56.400 -0.116 0.000 0.876 321 E CB 1.291 30.936 29.700 -0.093 0.000 1.009 321 E HN 0.627 nan 8.360 nan 0.000 0.416 322 E N 1.953 122.108 120.200 -0.074 0.000 2.076 322 E HA -0.037 4.326 4.350 0.022 0.000 0.190 322 E C 0.191 176.758 176.600 -0.056 0.000 0.979 322 E CA 0.896 57.260 56.400 -0.061 0.000 0.807 322 E CB 0.168 29.845 29.700 -0.039 0.000 0.761 322 E HN 0.350 nan 8.360 nan 0.000 0.454 323 K N 1.067 121.437 120.400 -0.050 0.000 2.149 323 K HA 0.073 4.406 4.320 0.022 0.000 0.245 323 K C 0.749 177.325 176.600 -0.040 0.000 1.024 323 K CA 0.037 56.299 56.287 -0.042 0.000 0.899 323 K CB 0.292 32.768 32.500 -0.041 0.000 1.038 323 K HN 0.088 nan 8.250 nan 0.000 0.496 324 T N -1.739 112.800 114.554 -0.026 0.000 2.813 324 T HA -0.009 4.354 4.350 0.022 0.000 0.297 324 T C 1.093 175.800 174.700 0.012 0.000 1.036 324 T CA -0.444 61.657 62.100 0.002 0.000 1.044 324 T CB 0.281 69.157 68.868 0.013 0.000 0.993 324 T HN 0.470 nan 8.240 nan 0.000 0.535 325 F N 1.306 121.200 119.950 -0.094 0.000 2.065 325 F HA -0.075 4.466 4.527 0.024 0.000 0.298 325 F C 2.040 177.783 175.800 -0.094 0.000 1.112 325 F CA 1.539 59.466 58.000 -0.120 0.000 1.212 325 F CB -0.780 38.119 39.000 -0.167 0.000 0.975 325 F HN 0.551 nan 8.300 nan 0.000 0.476 326 L N -0.024 121.113 121.223 -0.144 0.000 2.013 326 L HA -0.271 4.082 4.340 0.022 0.000 0.212 326 L C 2.448 179.219 176.870 -0.165 0.000 1.073 326 L CA 2.079 56.818 54.840 -0.169 0.000 0.753 326 L CB -0.898 41.162 42.059 0.001 0.000 0.890 326 L HN 0.219 nan 8.230 nan 0.000 0.432 327 E N -0.521 119.617 120.200 -0.104 0.000 2.077 327 E HA -0.192 4.171 4.350 0.022 0.000 0.193 327 E C 2.230 178.764 176.600 -0.111 0.000 0.989 327 E CA 1.358 57.709 56.400 -0.081 0.000 0.800 327 E CB -0.111 29.559 29.700 -0.050 0.000 0.746 327 E HN 0.269 nan 8.360 nan 0.000 0.452 328 V N 0.802 120.624 119.914 -0.152 0.000 2.343 328 V HA -0.225 3.908 4.120 0.022 0.000 0.247 328 V C 2.278 178.255 176.094 -0.195 0.000 1.051 328 V CA 1.279 63.488 62.300 -0.152 0.000 1.036 328 V CB -0.346 31.392 31.823 -0.142 0.000 0.654 328 V HN 0.141 nan 8.190 nan 0.000 0.451 329 V N 0.344 120.056 119.914 -0.336 0.000 2.307 329 V HA -0.226 3.907 4.120 0.022 0.000 0.245 329 V C 2.744 178.775 176.094 -0.106 0.000 1.045 329 V CA 1.886 64.029 62.300 -0.261 0.000 1.024 329 V CB -1.181 30.420 31.823 -0.370 0.000 0.651 329 V HN 0.545 nan 8.190 nan 0.000 0.449 330 A N -0.218 122.549 122.820 -0.088 0.000 1.892 330 A HA -0.328 4.005 4.320 0.022 0.000 0.218 330 A C 2.293 179.856 177.584 -0.035 0.000 1.188 330 A CA 2.295 54.315 52.037 -0.029 0.000 0.631 330 A CB -0.605 18.383 19.000 -0.020 0.000 0.822 330 A HN 0.633 nan 8.150 nan 0.000 0.447 331 E N 0.151 120.322 120.200 -0.049 0.000 2.153 331 E HA -0.161 4.202 4.350 0.022 0.000 0.194 331 E C 2.071 178.644 176.600 -0.045 0.000 0.988 331 E CA 1.370 57.748 56.400 -0.038 0.000 0.811 331 E CB -0.105 29.573 29.700 -0.038 0.000 0.746 331 E HN 0.765 nan 8.360 nan 0.000 0.466 332 S N -0.138 115.523 115.700 -0.065 0.000 2.453 332 S HA -0.028 4.455 4.470 0.022 0.000 0.231 332 S C 1.775 176.305 174.600 -0.117 0.000 1.005 332 S CA 0.372 58.532 58.200 -0.067 0.000 0.949 332 S CB -0.092 63.074 63.200 -0.056 0.000 0.774 332 S HN 0.293 nan 8.310 nan 0.000 0.510 333 L N 0.803 121.921 121.223 -0.175 0.000 2.592 333 L HA 0.355 4.708 4.340 0.022 0.000 0.227 333 L C 1.722 178.528 176.870 -0.106 0.000 1.127 333 L CA 0.351 54.960 54.840 -0.385 0.000 0.884 333 L CB -0.298 41.375 42.059 -0.644 0.000 1.065 333 L HN 0.585 nan 8.230 nan 0.000 0.457 334 G N 0.629 109.420 108.800 -0.016 0.000 2.136 334 G HA2 -0.251 3.722 3.960 0.022 0.000 0.242 334 G HA3 -0.251 3.722 3.960 0.022 0.000 0.242 334 G C 0.079 175.025 174.900 0.076 0.000 0.989 334 G CA -0.129 45.001 45.100 0.050 0.000 0.682 334 G HN 0.219 nan 8.290 nan 0.000 0.522 335 L N -0.478 120.786 121.223 0.068 0.000 2.360 335 L HA 0.503 4.855 4.340 0.022 0.000 0.271 335 L C 1.695 178.590 176.870 0.041 0.000 1.057 335 L CA -0.474 54.413 54.840 0.078 0.000 0.803 335 L CB 1.296 43.419 42.059 0.107 0.000 1.207 335 L HN 0.122 nan 8.230 nan 0.000 0.445 336 K N 1.395 121.818 120.400 0.039 0.000 2.031 336 K HA 0.004 4.337 4.320 0.022 0.000 0.205 336 K C 0.402 177.012 176.600 0.017 0.000 1.049 336 K CA 1.341 57.641 56.287 0.023 0.000 0.939 336 K CB 0.357 32.870 32.500 0.022 0.000 0.717 336 K HN 0.548 nan 8.250 nan 0.000 0.438 337 K N 0.031 120.446 120.400 0.025 0.000 2.562 337 K HA 0.245 4.578 4.320 0.022 0.000 0.267 337 K C -1.632 174.986 176.600 0.029 0.000 0.938 337 K CA -0.606 55.691 56.287 0.018 0.000 0.840 337 K CB 1.280 33.787 32.500 0.010 0.000 1.390 337 K HN 0.018 nan 8.250 nan 0.000 0.428 338 L N 3.666 124.902 121.223 0.021 0.000 2.312 338 L HA 0.466 4.819 4.340 0.022 0.000 0.281 338 L C 0.475 177.351 176.870 0.009 0.000 1.070 338 L CA -0.731 54.124 54.840 0.026 0.000 0.805 338 L CB 1.186 43.251 42.059 0.009 0.000 1.174 338 L HN 0.508 nan 8.230 nan 0.000 0.434 339 R N 1.831 122.336 120.500 0.009 0.000 2.490 339 R HA 0.454 4.807 4.340 0.022 0.000 0.280 339 R C -1.062 175.224 176.300 -0.023 0.000 1.077 339 R CA -0.389 55.709 56.100 -0.004 0.000 1.065 339 R CB 1.265 31.565 30.300 -0.001 0.000 1.003 339 R HN 0.309 nan 8.270 nan 0.000 0.470 340 V N 3.842 123.743 119.914 -0.022 0.000 2.482 340 V HA 0.203 4.336 4.120 0.022 0.000 0.295 340 V C -0.394 175.681 176.094 -0.031 0.000 1.026 340 V CA -0.809 61.474 62.300 -0.029 0.000 0.856 340 V CB 1.987 33.807 31.823 -0.004 0.000 1.001 340 V HN 0.445 nan 8.190 nan 0.000 0.424 341 V N 4.932 124.816 119.914 -0.050 0.000 2.364 341 V HA 0.343 4.476 4.120 0.022 0.000 0.272 341 V C 0.289 176.364 176.094 -0.032 0.000 1.036 341 V CA -0.456 61.812 62.300 -0.053 0.000 0.880 341 V CB 1.378 33.152 31.823 -0.081 0.000 0.991 341 V HN 0.891 nan 8.190 nan 0.000 0.460 342 E N 3.117 123.312 120.200 -0.009 0.000 2.249 342 E HA 0.619 4.982 4.350 0.022 0.000 0.280 342 E C -0.510 176.111 176.600 0.035 0.000 1.016 342 E CA -0.273 56.142 56.400 0.025 0.000 0.830 342 E CB 1.554 31.276 29.700 0.036 0.000 1.081 342 E HN 0.716 nan 8.360 nan 0.000 0.395 343 T N 0.080 114.676 114.554 0.071 0.000 2.868 343 T HA 0.523 4.886 4.350 0.022 0.000 0.306 343 T C 0.550 175.355 174.700 0.173 0.000 1.224 343 T CA -0.268 61.870 62.100 0.063 0.000 1.012 343 T CB 1.735 70.596 68.868 -0.011 0.000 1.221 343 T HN 0.692 nan 8.240 nan 0.000 0.499 344 G N 0.029 108.872 108.800 0.072 0.000 2.176 344 G HA2 -0.087 3.886 3.960 0.022 0.000 0.253 344 G HA3 -0.087 3.886 3.960 0.022 0.000 0.253 344 G C 0.478 175.734 174.900 0.594 0.000 0.979 344 G CA 0.394 45.669 45.100 0.292 0.000 0.641 344 G HN 1.130 nan 8.290 nan 0.000 0.530 345 G N -0.734 108.257 108.800 0.317 0.000 2.849 345 G HA2 0.594 4.567 3.960 0.022 0.000 0.174 345 G HA3 0.594 4.567 3.960 0.022 0.000 0.174 345 G C -0.182 174.883 174.900 0.276 0.000 1.370 345 G CA -0.243 45.009 45.100 0.253 0.000 1.040 345 G HN 0.312 nan 8.290 nan 0.000 0.582 346 N N -1.095 117.717 118.700 0.186 0.000 2.381 346 N HA 0.294 5.047 4.740 0.022 0.000 0.294 346 N C 1.005 176.556 175.510 0.067 0.000 1.216 346 N CA 0.377 53.513 53.050 0.143 0.000 0.803 346 N CB 1.939 40.486 38.487 0.100 0.000 1.372 346 N HN 0.695 nan 8.380 nan 0.000 0.500 347 S N -0.211 115.440 115.700 -0.083 0.000 2.474 347 S HA -0.308 4.175 4.470 0.022 0.000 0.267 347 S C 0.701 174.922 174.600 -0.631 0.000 1.360 347 S CA 1.525 59.505 58.200 -0.367 0.000 1.530 347 S CB -1.424 61.458 63.200 -0.530 0.000 2.034 347 S HN 0.477 nan 8.310 nan 0.000 0.755 348 F N 2.152 122.098 119.950 -0.006 0.000 2.173 348 F HA 0.817 5.357 4.527 0.021 0.000 0.219 348 F C 1.354 177.108 175.800 -0.077 0.000 0.794 348 F CA 0.287 58.273 58.000 -0.023 0.000 1.131 348 F CB -0.103 38.897 39.000 0.001 0.000 2.087 348 F HN 0.646 nan 8.300 nan 0.000 0.628 349 A N -1.698 121.188 122.820 0.111 0.000 2.429 349 A HA 0.694 5.027 4.320 0.022 0.000 0.295 349 A C -0.551 177.031 177.584 -0.003 0.000 1.032 349 A CA 0.021 52.011 52.037 -0.077 0.000 0.572 349 A CB -0.114 18.811 19.000 -0.125 0.000 1.487 349 A HN 1.398 nan 8.150 nan 0.000 0.632 350 A N -1.588 121.200 122.820 -0.054 0.000 3.447 350 A HA 0.434 4.767 4.320 0.022 0.000 0.160 350 A C 0.512 178.109 177.584 0.022 0.000 1.326 350 A CA 1.036 53.099 52.037 0.043 0.000 1.399 350 A CB -0.817 18.278 19.000 0.158 0.000 1.167 350 A HN 1.173 nan 8.150 nan 0.000 0.527 354 Q N 2.414 122.206 119.800 -0.014 0.000 3.078 354 Q HA 0.533 4.886 4.340 0.022 0.000 0.348 354 Q C -1.038 175.027 176.000 0.109 0.000 0.861 354 Q CA -1.225 54.614 55.803 0.060 0.000 0.822 354 Q CB 0.957 29.753 28.738 0.098 0.000 1.395 354 Q HN 0.502 nan 8.270 nan 0.000 0.497 355 W N 2.296 123.602 121.300 0.010 0.000 2.376 355 W HA 0.494 5.170 4.660 0.026 0.000 0.322 355 W C -1.464 175.096 176.519 0.067 0.000 1.160 355 W CA 0.216 57.586 57.345 0.041 0.000 1.218 355 W CB 1.297 30.779 29.460 0.036 0.000 1.205 355 W HN 0.794 nan 8.180 nan 0.000 0.559 356 D N 3.166 122.986 120.400 -0.966 0.000 2.609 356 D HA 0.221 4.874 4.640 0.022 0.000 0.239 356 D C -1.984 173.499 176.300 -1.362 0.000 1.229 356 D CA -0.673 52.694 54.000 -1.055 0.000 0.808 356 D CB 1.792 42.396 40.800 -0.327 0.000 1.448 356 D HN 0.294 nan 8.370 nan 0.000 0.433 357 D N -0.090 119.740 120.400 -0.950 0.000 2.473 357 D HA 0.384 5.037 4.640 0.022 0.000 0.253 357 D C 0.298 176.483 176.300 -0.192 0.000 1.233 357 D CA -0.589 53.127 54.000 -0.474 0.000 0.908 357 D CB 1.518 42.167 40.800 -0.251 0.000 1.170 357 D HN 0.568 nan 8.370 nan 0.000 0.558 358 G N 3.167 111.885 108.800 -0.137 0.000 3.141 358 G HA2 -0.051 3.922 3.960 0.022 0.000 0.218 358 G HA3 -0.051 3.922 3.960 0.022 0.000 0.218 358 G C 0.838 175.704 174.900 -0.056 0.000 1.170 358 G CA -0.284 44.771 45.100 -0.075 0.000 0.769 358 G HN 0.351 nan 8.290 nan 0.000 0.546 359 N N 1.052 119.725 118.700 -0.045 0.000 2.260 359 N HA -0.012 4.741 4.740 0.022 0.000 0.230 359 N C 0.871 176.354 175.510 -0.045 0.000 1.323 359 N CA 0.244 53.267 53.050 -0.045 0.000 0.897 359 N CB 0.072 38.547 38.487 -0.020 0.000 1.146 359 N HN 0.286 nan 8.380 nan 0.000 0.460 360 N N -1.126 117.534 118.700 -0.068 0.000 2.829 360 N HA -0.194 4.559 4.740 0.022 0.000 0.250 360 N C -0.462 175.039 175.510 -0.015 0.000 1.090 360 N CA 0.213 53.240 53.050 -0.038 0.000 0.781 360 N CB -1.065 37.430 38.487 0.014 0.000 1.124 360 N HN 0.358 nan 8.380 nan 0.000 0.559 361 V N -1.701 118.186 119.914 -0.045 0.000 3.051 361 V HA 0.544 4.677 4.120 0.022 0.000 0.306 361 V C 0.934 177.073 176.094 0.074 0.000 1.083 361 V CA -0.427 61.851 62.300 -0.036 0.000 1.104 361 V CB 1.785 33.582 31.823 -0.042 0.000 1.027 361 V HN 0.024 nan 8.190 nan 0.000 0.483 362 V N 4.419 124.391 119.914 0.096 0.000 2.435 362 V HA 0.439 4.572 4.120 0.022 0.000 0.290 362 V C 0.144 176.307 176.094 0.115 0.000 1.030 362 V CA -0.480 61.924 62.300 0.174 0.000 0.881 362 V CB 1.185 33.115 31.823 0.179 0.000 0.983 362 V HN 1.310 nan 8.190 nan 0.000 0.445 363 C N 6.879 126.251 119.300 0.120 0.000 2.499 363 C HA 0.415 4.888 4.460 0.022 0.000 0.386 363 C C 1.401 176.417 174.990 0.044 0.000 1.293 363 C CA -0.412 58.651 59.018 0.075 0.000 1.884 363 C CB -0.664 27.130 27.740 0.090 0.000 2.509 363 C HN 0.983 nan 8.230 nan 0.000 0.566 364 L N 3.271 124.505 121.223 0.019 0.000 2.515 364 L HA 0.376 4.729 4.340 0.022 0.000 0.223 364 L C 0.958 177.820 176.870 -0.013 0.000 1.079 364 L CA 0.580 55.415 54.840 -0.009 0.000 0.857 364 L CB -0.200 41.843 42.059 -0.027 0.000 1.050 364 L HN 0.741 nan 8.230 nan 0.000 0.476 365 E N -0.791 119.407 120.200 -0.004 0.000 2.409 365 E HA 0.253 4.616 4.350 0.022 0.000 0.280 365 E C -2.705 173.894 176.600 -0.001 0.000 1.079 365 E CA -1.820 54.575 56.400 -0.009 0.000 0.840 365 E CB 2.319 32.009 29.700 -0.017 0.000 1.309 365 E HN -0.306 nan 8.360 nan 0.000 0.447 366 P HA 0.091 nan 4.420 nan 0.000 0.262 366 P C 0.261 177.561 177.300 0.001 0.000 1.199 366 P CA 1.744 64.844 63.100 -0.001 0.000 0.763 366 P CB 0.346 32.035 31.700 -0.018 0.000 0.790 367 G N 1.830 110.636 108.800 0.011 0.000 2.199 367 G HA2 -0.204 3.769 3.960 0.022 0.000 0.254 367 G HA3 -0.204 3.769 3.960 0.022 0.000 0.254 367 G C -0.021 174.879 174.900 -0.000 0.000 0.982 367 G CA -0.133 44.969 45.100 0.004 0.000 0.632 367 G HN 0.515 nan 8.290 nan 0.000 0.529 368 V N 0.743 120.657 119.914 0.001 0.000 2.357 368 V HA 0.767 4.900 4.120 0.022 0.000 0.284 368 V C -0.010 176.088 176.094 0.006 0.000 1.018 368 V CA -0.648 61.651 62.300 -0.002 0.000 0.841 368 V CB 1.682 33.500 31.823 -0.009 0.000 0.991 368 V HN 0.360 nan 8.190 nan 0.000 0.437 369 V N 5.524 125.441 119.914 0.006 0.000 2.876 369 V HA 0.616 4.749 4.120 0.022 0.000 0.312 369 V C -0.728 175.375 176.094 0.015 0.000 1.085 369 V CA -0.457 61.852 62.300 0.014 0.000 0.945 369 V CB 2.869 34.695 31.823 0.005 0.000 1.017 369 V HN 0.598 nan 8.190 nan 0.000 0.428 370 V N 4.653 124.588 119.914 0.034 0.000 2.398 370 V HA 0.900 5.033 4.120 0.022 0.000 0.286 370 V C 0.597 176.663 176.094 -0.047 0.000 1.026 370 V CA 0.438 62.763 62.300 0.041 0.000 0.868 370 V CB 1.039 32.966 31.823 0.173 0.000 0.982 370 V HN 1.062 nan 8.190 nan 0.000 0.443 371 G N 2.775 111.526 108.800 -0.083 0.000 3.022 371 G HA2 0.598 4.571 3.960 0.022 0.000 0.284 371 G HA3 0.598 4.571 3.960 0.022 0.000 0.284 371 G C -1.695 173.122 174.900 -0.138 0.000 1.375 371 G CA -0.701 44.296 45.100 -0.172 0.000 0.902 371 G HN 0.447 nan 8.290 nan 0.000 0.538 372 Y N 0.814 121.099 120.300 -0.025 0.000 2.308 372 Y HA 0.169 4.732 4.550 0.021 0.000 0.329 372 Y C 1.701 177.596 175.900 -0.009 0.000 1.111 372 Y CA -0.645 57.442 58.100 -0.022 0.000 1.179 372 Y CB 1.821 40.270 38.460 -0.019 0.000 1.201 372 Y HN 0.725 nan 8.280 nan 0.000 0.483 373 D N 2.044 122.563 120.400 0.199 0.000 2.123 373 D HA -0.279 4.374 4.640 0.022 0.000 0.196 373 D C 1.546 177.895 176.300 0.081 0.000 0.992 373 D CA 1.609 55.672 54.000 0.105 0.000 0.833 373 D CB -0.329 40.519 40.800 0.080 0.000 0.954 373 D HN 0.700 nan 8.370 nan 0.000 0.455 374 R N -0.026 120.517 120.500 0.071 0.000 2.341 374 R HA 0.010 4.363 4.340 0.022 0.000 0.213 374 R C 0.310 176.640 176.300 0.049 0.000 1.082 374 R CA 0.711 56.840 56.100 0.049 0.000 1.017 374 R CB -0.686 29.628 30.300 0.023 0.000 0.860 374 R HN 0.006 nan 8.270 nan 0.000 0.473 375 N N 1.826 120.560 118.700 0.058 0.000 2.994 375 N HA -0.003 4.750 4.740 0.022 0.000 0.306 375 N C 0.399 175.926 175.510 0.028 0.000 1.348 375 N CA 0.550 53.613 53.050 0.023 0.000 1.109 375 N CB 1.068 39.562 38.487 0.011 0.000 1.415 375 N HN 0.373 nan 8.380 nan 0.000 0.529 376 T N -1.860 112.724 114.554 0.051 0.000 2.635 376 T HA -0.280 4.083 4.350 0.022 0.000 0.267 376 T C 1.776 176.527 174.700 0.084 0.000 1.040 376 T CA 0.998 63.135 62.100 0.063 0.000 1.156 376 T CB -0.644 68.269 68.868 0.074 0.000 0.863 376 T HN 0.308 nan 8.240 nan 0.000 0.430 377 Y N 2.638 122.924 120.300 -0.023 0.000 2.030 377 Y HA -0.169 4.393 4.550 0.021 0.000 0.274 377 Y C 2.878 178.759 175.900 -0.032 0.000 1.153 377 Y CA 1.907 59.992 58.100 -0.026 0.000 1.115 377 Y CB -1.143 37.296 38.460 -0.034 0.000 0.969 377 Y HN 0.274 nan 8.280 nan 0.000 0.488 378 T N 1.077 115.530 114.554 -0.169 0.000 2.720 378 T HA -0.210 4.153 4.350 0.022 0.000 0.268 378 T C 1.644 176.231 174.700 -0.189 0.000 1.037 378 T CA 1.607 63.560 62.100 -0.245 0.000 1.144 378 T CB -0.402 68.384 68.868 -0.138 0.000 0.864 378 T HN 0.368 nan 8.240 nan 0.000 0.444 379 N N 1.057 119.694 118.700 -0.104 0.000 2.149 379 N HA -0.113 4.640 4.740 0.022 0.000 0.188 379 N C 2.310 177.764 175.510 -0.093 0.000 1.019 379 N CA 1.868 54.873 53.050 -0.075 0.000 0.857 379 N CB -0.907 37.563 38.487 -0.028 0.000 0.997 379 N HN 0.681 nan 8.380 nan 0.000 0.426 380 T N -0.315 114.172 114.554 -0.111 0.000 2.708 380 T HA -0.035 4.328 4.350 0.022 0.000 0.266 380 T C 2.135 176.743 174.700 -0.153 0.000 1.037 380 T CA 0.747 62.787 62.100 -0.100 0.000 1.146 380 T CB -0.689 68.146 68.868 -0.054 0.000 0.865 380 T HN 0.114 nan 8.240 nan 0.000 0.435 381 L N 0.216 121.270 121.223 -0.283 0.000 2.081 381 L HA -0.079 4.274 4.340 0.022 0.000 0.212 381 L C 2.908 179.692 176.870 -0.144 0.000 1.080 381 L CA 0.945 55.635 54.840 -0.249 0.000 0.754 381 L CB -0.854 40.996 42.059 -0.348 0.000 0.893 381 L HN 0.254 nan 8.230 nan 0.000 0.433 382 L N -0.028 121.117 121.223 -0.131 0.000 1.988 382 L HA -0.168 4.185 4.340 0.022 0.000 0.207 382 L C 2.873 179.707 176.870 -0.061 0.000 1.071 382 L CA 1.788 56.576 54.840 -0.086 0.000 0.744 382 L CB -1.113 40.901 42.059 -0.076 0.000 0.893 382 L HN 0.312 nan 8.230 nan 0.000 0.433 383 R N -0.005 120.462 120.500 -0.055 0.000 2.094 383 R HA -0.244 4.109 4.340 0.022 0.000 0.239 383 R C 2.157 178.437 176.300 -0.034 0.000 1.137 383 R CA 1.543 57.622 56.100 -0.036 0.000 0.943 383 R CB -0.480 29.803 30.300 -0.028 0.000 0.850 383 R HN 0.264 nan 8.270 nan 0.000 0.433 384 K N 0.541 120.916 120.400 -0.042 0.000 2.286 384 K HA -0.136 4.197 4.320 0.022 0.000 0.203 384 K C 1.368 177.949 176.600 -0.031 0.000 1.045 384 K CA 1.424 57.691 56.287 -0.034 0.000 0.935 384 K CB 0.020 32.493 32.500 -0.045 0.000 0.737 384 K HN 0.226 nan 8.250 nan 0.000 0.460 385 A N -0.714 122.083 122.820 -0.038 0.000 2.460 385 A HA 0.330 4.663 4.320 0.022 0.000 0.258 385 A C 1.041 178.613 177.584 -0.021 0.000 1.300 385 A CA 0.451 52.470 52.037 -0.030 0.000 0.913 385 A CB 0.020 18.996 19.000 -0.039 0.000 1.031 385 A HN 0.435 nan 8.150 nan 0.000 0.512 386 G N -1.540 107.248 108.800 -0.019 0.000 2.175 386 G HA2 -0.203 3.770 3.960 0.022 0.000 0.244 386 G HA3 -0.203 3.770 3.960 0.022 0.000 0.244 386 G C 0.154 175.046 174.900 -0.013 0.000 0.982 386 G CA 0.085 45.177 45.100 -0.014 0.000 0.641 386 G HN 0.849 nan 8.290 nan 0.000 0.527 387 V N 1.277 121.180 119.914 -0.018 0.000 2.465 387 V HA 0.539 4.672 4.120 0.022 0.000 0.279 387 V C 0.595 176.679 176.094 -0.016 0.000 1.045 387 V CA -0.507 61.784 62.300 -0.016 0.000 0.938 387 V CB 1.807 33.618 31.823 -0.020 0.000 0.986 387 V HN 0.425 nan 8.190 nan 0.000 0.467 388 E N 3.593 123.786 120.200 -0.012 0.000 2.259 388 E HA 0.447 4.810 4.350 0.022 0.000 0.281 388 E C -1.447 175.147 176.600 -0.010 0.000 1.027 388 E CA -0.451 55.943 56.400 -0.011 0.000 0.838 388 E CB 1.582 31.276 29.700 -0.010 0.000 1.066 388 E HN 0.500 nan 8.360 nan 0.000 0.401 389 V N 7.064 126.972 119.914 -0.010 0.000 2.349 389 V HA 0.287 4.420 4.120 0.022 0.000 0.284 389 V C 0.068 176.162 176.094 -0.000 0.000 1.014 389 V CA -0.594 61.701 62.300 -0.008 0.000 0.826 389 V CB 0.830 32.645 31.823 -0.015 0.000 1.009 389 V HN 0.665 nan 8.190 nan 0.000 0.431 390 I N 4.794 125.367 120.570 0.005 0.000 2.474 390 I HA 0.445 4.628 4.170 0.022 0.000 0.287 390 I C 0.765 176.896 176.117 0.023 0.000 1.048 390 I CA 0.203 61.511 61.300 0.013 0.000 1.383 390 I CB 1.605 39.614 38.000 0.015 0.000 1.412 390 I HN 0.698 nan 8.210 nan 0.000 0.531 391 T N 4.885 119.459 114.554 0.033 0.000 2.908 391 T HA 0.810 5.173 4.350 0.022 0.000 0.290 391 T C -0.376 174.366 174.700 0.071 0.000 1.034 391 T CA -0.781 61.348 62.100 0.048 0.000 1.010 391 T CB 2.128 71.030 68.868 0.057 0.000 1.068 391 T HN 0.543 nan 8.240 nan 0.000 0.481 392 I N -1.557 119.073 120.570 0.100 0.000 3.206 392 I HA 0.783 4.966 4.170 0.022 0.000 0.313 392 I C -0.327 175.907 176.117 0.195 0.000 1.103 392 I CA -1.197 60.177 61.300 0.124 0.000 0.985 392 I CB 2.091 40.145 38.000 0.091 0.000 1.240 392 I HN 0.682 nan 8.210 nan 0.000 0.464 393 S N 1.115 116.897 115.700 0.137 0.000 2.513 393 S HA 0.601 5.084 4.470 0.022 0.000 0.276 393 S C 0.658 175.255 174.600 -0.004 0.000 1.254 393 S CA 0.035 58.281 58.200 0.077 0.000 1.053 393 S CB 1.233 64.456 63.200 0.038 0.000 0.958 393 S HN 0.809 nan 8.310 nan 0.000 0.491 394 A N 4.179 126.847 122.820 -0.254 0.000 2.238 394 A HA 0.191 4.524 4.320 0.022 0.000 0.210 394 A C 2.044 179.467 177.584 -0.269 0.000 1.179 394 A CA 0.616 52.258 52.037 -0.659 0.000 0.827 394 A CB -0.624 17.639 19.000 -1.229 0.000 0.856 394 A HN 0.821 nan 8.150 nan 0.000 0.488 395 S N 0.666 116.300 115.700 -0.110 0.000 2.390 395 S HA -0.217 4.266 4.470 0.022 0.000 0.234 395 S C 1.631 176.243 174.600 0.020 0.000 1.063 395 S CA 1.968 60.159 58.200 -0.014 0.000 1.108 395 S CB -0.152 63.076 63.200 0.046 0.000 0.975 395 S HN 0.674 nan 8.310 nan 0.000 0.442 396 E N -0.489 119.724 120.200 0.022 0.000 2.372 396 E HA 0.246 4.609 4.350 0.022 0.000 0.201 396 E C 1.790 178.431 176.600 0.069 0.000 0.938 396 E CA 0.055 56.496 56.400 0.067 0.000 0.944 396 E CB -0.232 29.505 29.700 0.062 0.000 0.937 396 E HN 0.285 nan 8.360 nan 0.000 0.495 397 L N 0.515 121.759 121.223 0.034 0.000 2.162 397 L HA 0.152 4.505 4.340 0.022 0.000 0.205 397 L C 1.602 178.547 176.870 0.124 0.000 1.086 397 L CA 1.255 56.153 54.840 0.096 0.000 0.778 397 L CB -0.969 41.170 42.059 0.134 0.000 0.928 397 L HN 0.040 nan 8.230 nan 0.000 0.446 398 G N -1.899 106.838 108.800 -0.105 0.000 2.928 398 G HA2 0.126 4.099 3.960 0.022 0.000 0.163 398 G HA3 0.126 4.099 3.960 0.022 0.000 0.163 398 G C -0.062 174.803 174.900 -0.059 0.000 1.573 398 G CA -0.372 44.605 45.100 -0.205 0.000 1.084 398 G HN 0.156 nan 8.290 nan 0.000 0.569 399 R N -0.325 120.125 120.500 -0.084 0.000 2.569 399 R HA -0.082 4.271 4.340 0.022 0.000 0.212 399 R C 0.369 176.675 176.300 0.010 0.000 0.741 399 R CA 1.004 57.102 56.100 -0.005 0.000 0.499 399 R CB -1.370 28.930 30.300 -0.000 0.000 1.224 399 R HN 1.024 nan 8.270 nan 0.000 0.522 400 G N -0.620 108.191 108.800 0.019 0.000 2.871 400 G HA2 0.386 4.359 3.960 0.022 0.000 0.282 400 G HA3 0.386 4.359 3.960 0.022 0.000 0.282 400 G C -0.500 174.388 174.900 -0.020 0.000 1.212 400 G CA -0.399 44.688 45.100 -0.021 0.000 0.812 400 G HN 0.270 nan 8.290 nan 0.000 0.547 401 R N 0.060 120.502 120.500 -0.096 0.000 2.334 401 R HA 0.384 4.737 4.340 0.022 0.000 0.220 401 R C 1.302 177.515 176.300 -0.145 0.000 0.917 401 R CA 0.623 56.644 56.100 -0.132 0.000 1.073 401 R CB -0.373 29.809 30.300 -0.196 0.000 1.056 401 R HN 0.684 nan 8.270 nan 0.000 0.506 402 G N 0.550 109.363 108.800 0.022 0.000 2.173 402 G HA2 0.243 4.216 3.960 0.022 0.000 0.761 402 G HA3 0.243 4.216 3.960 0.022 0.000 0.761 402 G C 0.365 175.415 174.900 0.250 0.000 1.256 402 G CA 0.275 45.547 45.100 0.286 0.000 1.314 402 G HN 0.745 nan 8.290 nan 0.000 0.726 403 G N -4.003 104.997 108.800 0.334 0.000 2.335 403 G HA2 0.473 4.446 3.960 0.022 0.000 0.592 403 G HA3 0.473 4.446 3.960 0.022 0.000 0.592 403 G C 0.702 175.549 174.900 -0.088 0.000 1.442 403 G CA 0.242 45.356 45.100 0.023 0.000 0.976 403 G HN 1.543 nan 8.290 nan 0.000 0.652 404 G N -0.867 107.750 108.800 -0.304 0.000 2.422 404 G HA2 -0.150 3.823 3.960 0.022 0.000 0.218 404 G HA3 -0.150 3.823 3.960 0.022 0.000 0.218 404 G C 1.312 176.260 174.900 0.079 0.000 1.146 404 G CA 1.835 46.804 45.100 -0.218 0.000 0.769 404 G HN 0.914 nan 8.290 nan 0.000 0.547 405 H N -0.108 118.971 119.070 0.013 0.000 2.326 405 H HA -0.028 4.540 4.556 0.021 0.000 0.301 405 H C 1.228 176.622 175.328 0.109 0.000 1.081 405 H CA 1.124 57.214 56.048 0.071 0.000 1.334 405 H CB -0.229 29.562 29.762 0.049 0.000 1.385 405 H HN 0.246 nan 8.280 nan 0.000 0.504 409 C N 3.644 122.996 119.300 0.087 0.000 2.814 409 C HA 0.627 5.100 4.460 0.022 0.000 0.269 409 C C -2.752 172.290 174.990 0.085 0.000 1.090 409 C CA -1.576 57.515 59.018 0.122 0.000 1.492 409 C CB -0.886 26.979 27.740 0.210 0.000 1.825 409 C HN 0.787 nan 8.230 nan 0.000 0.442 410 P HA 0.140 nan 4.420 nan 0.000 0.261 410 P C 0.513 177.728 177.300 -0.141 0.000 1.183 410 P CA 0.681 63.757 63.100 -0.040 0.000 0.761 410 P CB 0.445 32.133 31.700 -0.020 0.000 0.785 411 I N 2.126 122.504 120.570 -0.320 0.000 3.300 411 I HA 0.037 4.220 4.170 0.022 0.000 0.279 411 I C 0.219 175.979 176.117 -0.596 0.000 1.172 411 I CA 0.572 61.400 61.300 -0.787 0.000 1.431 411 I CB 0.450 38.035 38.000 -0.692 0.000 1.240 411 I HN 0.028 nan 8.210 nan 0.000 0.453 412 V N 2.454 122.177 119.914 -0.318 0.000 2.447 412 V HA 0.434 4.567 4.120 0.022 0.000 0.292 412 V C -0.518 175.528 176.094 -0.080 0.000 1.021 412 V CA -0.581 61.612 62.300 -0.179 0.000 0.850 412 V CB 1.773 33.501 31.823 -0.158 0.000 1.005 412 V HN 0.201 nan 8.190 nan 0.000 0.426 413 R N 2.807 123.302 120.500 -0.009 0.000 2.514 413 R HA 0.427 4.780 4.340 0.022 0.000 0.296 413 R C -1.126 175.254 176.300 0.133 0.000 1.012 413 R CA -0.623 55.495 56.100 0.029 0.000 0.897 413 R CB 1.654 31.961 30.300 0.013 0.000 1.184 413 R HN 0.680 nan 8.270 nan 0.000 0.440 414 D N 5.024 125.480 120.400 0.092 0.000 2.361 414 D HA 0.146 4.799 4.640 0.022 0.000 0.239 414 D C -1.961 174.410 176.300 0.119 0.000 1.200 414 D CA -0.962 53.095 54.000 0.096 0.000 0.915 414 D CB 0.759 41.572 40.800 0.021 0.000 1.170 414 D HN 0.351 nan 8.370 nan 0.000 0.444 415 P HA 0.370 nan 4.420 nan 0.000 0.293 415 P C -0.414 176.902 177.300 0.027 0.000 1.304 415 P CA -0.497 62.676 63.100 0.123 0.000 0.767 415 P CB 0.954 32.710 31.700 0.093 0.000 1.247 416 I N -3.131 117.435 120.570 -0.007 0.000 2.969 416 I HA 0.472 4.655 4.170 0.022 0.000 0.307 416 I C -1.024 174.978 176.117 -0.191 0.000 1.149 416 I CA -1.337 59.878 61.300 -0.143 0.000 1.008 416 I CB 2.198 40.043 38.000 -0.258 0.000 1.232 416 I HN 0.027 nan 8.210 nan 0.000 0.435 417 D N 3.785 124.063 120.400 -0.203 0.000 2.359 417 D HA 0.211 4.864 4.640 0.022 0.000 0.250 417 D C -0.903 175.273 176.300 -0.206 0.000 1.264 417 D CA 0.364 54.280 54.000 -0.140 0.000 0.911 417 D CB 0.089 40.837 40.800 -0.087 0.000 1.056 417 D HN 0.496 nan 8.370 nan 0.000 0.499 418 Y N 0.000 120.309 120.300 0.015 0.000 2.660 418 Y HA 0.000 4.563 4.550 0.022 0.000 0.201 418 Y CA 0.000 58.111 58.100 0.018 0.000 1.940 418 Y CB 0.000 38.475 38.460 0.026 0.000 1.050 418 Y HN 0.000 nan 8.280 nan 0.000 0.758