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 2jc9_1_A DATA FIRST_RESID 3 DATA SEQUENCE TSWSDRLQNA ADMPANMDKH ALKKYRREAY HRVFVNRSLA MEKIKCFGFD DATA SEQUENCE MDYTLAVYKS PEYESLGFEL TVERLVSIGY PQELLSFAYD STFPTRGLVF DATA SEQUENCE DTLYGNLLKV DAYGNLLVCA HGFNFIRGPE TREQYPNKFI QRDDTERFYI DATA SEQUENCE LNTLFNLPET YLLACLVDFF TNCPRYTSCE TGFKDGDLFM SYRSMFQDVR DATA SEQUENCE DAVDWVHYKG SLKEKTVENL EKYVVKDGKL PLLLSRMKEV GKVFLATNSD DATA SEQUENCE YKYTDKIMTY LFDFPHGPKP GSSHRPWQSY FDLILVDARK PLFFGEGTVL DATA SEQUENCE RQVDTKTGKL KIGTYTGPLQ HGIVYSGGSS DTICDLLGAK GKDILYIGDH DATA SEQUENCE IFGDILKSKK RQGWRTFLVI PELAQELHVW TDKSSLFEEL QSLDIFLAXX DATA SEQUENCE XXXXXXXXXX XXXXXXXQRR IKKVTHDMDM CYGMMGSLFR SGSRQTLFAS DATA SEQUENCE QVMRYADLYA ASFINLLYYP FSYLFRAAHV LMPHES VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.653 174.700 -0.079 0.000 1.109 3 T CA 0.000 62.048 62.100 -0.086 0.000 1.349 3 T CB 0.000 68.797 68.868 -0.119 0.000 0.612 4 S N 2.777 118.409 115.700 -0.113 0.000 2.722 4 S HA 0.587 5.058 4.470 0.002 0.000 0.292 4 S C 1.610 176.141 174.600 -0.115 0.000 1.135 4 S CA -0.977 57.120 58.200 -0.171 0.000 1.003 4 S CB 0.884 63.877 63.200 -0.346 0.000 1.067 4 S HN 0.923 nan 8.310 nan 0.000 0.546 5 W N 1.014 122.351 121.300 0.062 0.000 2.350 5 W HA -0.088 4.574 4.660 0.002 0.000 0.289 5 W C 1.697 178.266 176.519 0.084 0.000 1.215 5 W CA 1.323 58.716 57.345 0.081 0.000 1.236 5 W CB -1.914 27.608 29.460 0.103 0.000 1.130 5 W HN 0.808 nan 8.180 nan 0.000 0.541 6 S N 0.346 115.847 115.700 -0.331 0.000 2.436 6 S HA -0.163 4.308 4.470 0.002 0.000 0.228 6 S C 1.314 175.875 174.600 -0.065 0.000 1.014 6 S CA 1.267 59.373 58.200 -0.158 0.000 0.950 6 S CB -0.601 62.339 63.200 -0.432 0.000 0.784 6 S HN -0.012 nan 8.310 nan 0.000 0.504 7 D N 2.026 122.359 120.400 -0.111 0.000 2.123 7 D HA -0.058 4.583 4.640 0.002 0.000 0.196 7 D C 2.273 178.561 176.300 -0.019 0.000 0.992 7 D CA 0.976 54.937 54.000 -0.064 0.000 0.833 7 D CB -0.224 40.525 40.800 -0.086 0.000 0.954 7 D HN 0.312 nan 8.370 nan 0.000 0.455 8 R N 0.408 120.912 120.500 0.006 0.000 2.073 8 R HA -0.049 4.292 4.340 0.002 0.000 0.234 8 R C 2.642 178.987 176.300 0.076 0.000 1.134 8 R CA 0.444 56.555 56.100 0.019 0.000 0.952 8 R CB -1.015 29.315 30.300 0.050 0.000 0.850 8 R HN 0.316 nan 8.270 nan 0.000 0.433 9 L N 0.663 121.967 121.223 0.135 0.000 2.046 9 L HA -0.187 4.154 4.340 0.002 0.000 0.208 9 L C 2.667 179.599 176.870 0.104 0.000 1.077 9 L CA 1.244 56.178 54.840 0.157 0.000 0.747 9 L CB -0.409 41.784 42.059 0.223 0.000 0.896 9 L HN 0.129 nan 8.230 nan 0.000 0.432 10 Q N 0.290 120.131 119.800 0.069 0.000 2.172 10 Q HA -0.139 4.202 4.340 0.002 0.000 0.200 10 Q C 1.923 177.947 176.000 0.039 0.000 0.964 10 Q CA 1.398 57.228 55.803 0.046 0.000 0.855 10 Q CB -0.046 28.705 28.738 0.022 0.000 0.918 10 Q HN 0.366 nan 8.270 nan 0.000 0.444 11 N N 0.037 118.757 118.700 0.033 0.000 2.120 11 N HA -0.119 4.622 4.740 0.002 0.000 0.188 11 N C 1.414 176.957 175.510 0.056 0.000 1.024 11 N CA 1.554 54.621 53.050 0.027 0.000 0.852 11 N CB -0.541 37.949 38.487 0.004 0.000 1.003 11 N HN 0.389 nan 8.380 nan 0.000 0.424 12 A N 0.767 123.645 122.820 0.096 0.000 1.930 12 A HA 0.129 4.450 4.320 0.002 0.000 0.217 12 A C 2.305 179.944 177.584 0.092 0.000 1.175 12 A CA 1.625 53.750 52.037 0.148 0.000 0.627 12 A CB -0.706 18.450 19.000 0.260 0.000 0.815 12 A HN 0.296 nan 8.150 nan 0.000 0.443 13 A N 0.012 122.872 122.820 0.068 0.000 1.972 13 A HA -0.157 4.164 4.320 0.002 0.000 0.219 13 A C 1.595 179.189 177.584 0.017 0.000 1.169 13 A CA 1.782 53.839 52.037 0.032 0.000 0.635 13 A CB -0.465 18.557 19.000 0.037 0.000 0.810 13 A HN 0.427 nan 8.150 nan 0.000 0.446 14 D N -0.511 119.904 120.400 0.025 0.000 2.312 14 D HA 0.026 4.667 4.640 0.002 0.000 0.211 14 D C 0.509 176.805 176.300 -0.007 0.000 0.964 14 D CA 0.623 54.633 54.000 0.017 0.000 0.877 14 D CB -0.151 40.661 40.800 0.019 0.000 0.924 14 D HN 0.476 nan 8.370 nan 0.000 0.515 15 M N 2.199 121.788 119.600 -0.017 0.000 2.146 15 M HA 0.241 4.722 4.480 0.002 0.000 0.357 15 M C -2.190 174.052 176.300 -0.096 0.000 1.261 15 M CA -1.671 53.596 55.300 -0.056 0.000 1.106 15 M CB 1.454 34.016 32.600 -0.063 0.000 1.612 15 M HN -0.249 nan 8.290 nan 0.000 0.470 16 P HA 0.194 nan 4.420 nan 0.000 0.272 16 P C -0.935 176.265 177.300 -0.167 0.000 1.230 16 P CA -0.427 62.592 63.100 -0.136 0.000 0.788 16 P CB 0.520 32.144 31.700 -0.126 0.000 0.949 17 A N 2.090 124.815 122.820 -0.157 0.000 2.450 17 A HA 0.174 4.495 4.320 0.002 0.000 0.255 17 A C 0.472 177.957 177.584 -0.164 0.000 1.096 17 A CA -0.119 51.830 52.037 -0.147 0.000 0.778 17 A CB -0.712 18.224 19.000 -0.106 0.000 1.031 17 A HN 0.579 nan 8.150 nan 0.000 0.494 18 N N 2.864 121.441 118.700 -0.205 0.000 2.558 18 N HA 0.255 4.996 4.740 0.002 0.000 0.242 18 N C 0.138 175.565 175.510 -0.139 0.000 0.979 18 N CA -0.504 52.441 53.050 -0.174 0.000 0.931 18 N CB 0.688 39.050 38.487 -0.207 0.000 1.122 18 N HN 0.485 nan 8.380 nan 0.000 0.508 19 M N 0.833 120.373 119.600 -0.099 0.000 2.494 19 M HA 0.075 4.556 4.480 0.002 0.000 0.232 19 M C 0.049 176.304 176.300 -0.075 0.000 1.137 19 M CA -0.147 55.108 55.300 -0.076 0.000 1.012 19 M CB -1.479 31.084 32.600 -0.062 0.000 1.567 19 M HN 0.489 nan 8.290 nan 0.000 0.486 20 D N 1.494 121.848 120.400 -0.076 0.000 2.487 20 D HA -0.045 4.596 4.640 0.002 0.000 0.243 20 D C 1.030 177.274 176.300 -0.093 0.000 1.154 20 D CA 0.565 54.527 54.000 -0.063 0.000 0.876 20 D CB 1.074 41.855 40.800 -0.032 0.000 1.161 20 D HN 0.139 nan 8.370 nan 0.000 0.478 21 K N 2.049 122.357 120.400 -0.153 0.000 2.147 21 K HA -0.175 4.146 4.320 0.002 0.000 0.205 21 K C 1.437 177.883 176.600 -0.257 0.000 1.049 21 K CA 1.110 57.259 56.287 -0.230 0.000 0.936 21 K CB -0.118 32.201 32.500 -0.302 0.000 0.722 21 K HN 0.634 nan 8.250 nan 0.000 0.446 22 H N 0.081 119.123 119.070 -0.048 0.000 2.403 22 H HA 0.032 4.589 4.556 0.002 0.000 0.298 22 H C 2.119 177.412 175.328 -0.058 0.000 1.059 22 H CA 1.032 57.052 56.048 -0.046 0.000 1.363 22 H CB 0.034 29.775 29.762 -0.036 0.000 1.410 22 H HN 0.221 nan 8.280 nan 0.000 0.528 23 A N 1.054 123.893 122.820 0.032 0.000 1.908 23 A HA -0.146 4.175 4.320 0.002 0.000 0.218 23 A C 2.251 179.786 177.584 -0.082 0.000 1.181 23 A CA 1.320 53.334 52.037 -0.039 0.000 0.627 23 A CB -0.790 18.156 19.000 -0.089 0.000 0.818 23 A HN 0.314 nan 8.150 nan 0.000 0.445 24 L N -0.888 120.274 121.223 -0.101 0.000 2.017 24 L HA -0.202 4.139 4.340 0.002 0.000 0.208 24 L C 2.663 179.458 176.870 -0.125 0.000 1.073 24 L CA 1.984 56.756 54.840 -0.112 0.000 0.745 24 L CB -0.435 41.571 42.059 -0.090 0.000 0.894 24 L HN 0.444 nan 8.230 nan 0.000 0.432 25 K N 0.562 120.893 120.400 -0.114 0.000 2.057 25 K HA -0.248 4.073 4.320 0.002 0.000 0.207 25 K C 2.252 178.807 176.600 -0.075 0.000 1.049 25 K CA 1.523 57.739 56.287 -0.118 0.000 0.931 25 K CB 0.011 32.476 32.500 -0.059 0.000 0.714 25 K HN 0.078 nan 8.250 nan 0.000 0.440 26 K N -0.551 119.835 120.400 -0.023 0.000 2.057 26 K HA -0.212 4.109 4.320 0.002 0.000 0.207 26 K C 2.108 178.713 176.600 0.009 0.000 1.049 26 K CA 1.504 57.792 56.287 0.003 0.000 0.931 26 K CB -0.236 32.279 32.500 0.026 0.000 0.714 26 K HN 0.154 nan 8.250 nan 0.000 0.440 27 Y N 2.031 122.216 120.300 -0.191 0.000 2.145 27 Y HA -0.177 4.374 4.550 0.002 0.000 0.286 27 Y C 2.191 177.982 175.900 -0.180 0.000 1.145 27 Y CA 2.002 59.944 58.100 -0.263 0.000 1.148 27 Y CB -0.095 38.022 38.460 -0.572 0.000 0.981 27 Y HN 0.100 nan 8.280 nan 0.000 0.507 28 R N -0.241 120.163 120.500 -0.159 0.000 2.316 28 R HA -0.028 4.313 4.340 0.002 0.000 0.202 28 R C 1.305 177.528 176.300 -0.128 0.000 1.029 28 R CA 0.515 56.514 56.100 -0.169 0.000 1.018 28 R CB -0.181 29.843 30.300 -0.460 0.000 0.888 28 R HN 0.129 nan 8.270 nan 0.000 0.471 29 R N 1.456 121.895 120.500 -0.102 0.000 2.193 29 R HA 0.107 4.448 4.340 0.002 0.000 0.213 29 R C 0.099 176.365 176.300 -0.057 0.000 1.055 29 R CA 0.525 56.590 56.100 -0.058 0.000 0.995 29 R CB -0.218 30.064 30.300 -0.029 0.000 0.893 29 R HN 0.458 nan 8.270 nan 0.000 0.459 30 E N 0.460 120.616 120.200 -0.074 0.000 2.344 30 E HA 0.177 4.528 4.350 0.002 0.000 0.270 30 E C 0.800 177.302 176.600 -0.163 0.000 1.021 30 E CA 0.087 56.442 56.400 -0.076 0.000 0.887 30 E CB 1.073 30.752 29.700 -0.035 0.000 0.997 30 E HN 0.092 nan 8.360 nan 0.000 0.429 31 A N 3.865 126.551 122.820 -0.223 0.000 1.948 31 A HA -0.244 4.077 4.320 0.002 0.000 0.220 31 A C 1.501 178.911 177.584 -0.290 0.000 1.177 31 A CA 1.495 53.409 52.037 -0.205 0.000 0.636 31 A CB -0.685 18.182 19.000 -0.222 0.000 0.815 31 A HN 0.727 nan 8.150 nan 0.000 0.449 32 Y N -0.703 119.478 120.300 -0.200 0.000 2.315 32 Y HA -0.198 4.353 4.550 0.002 0.000 0.288 32 Y C 1.981 177.666 175.900 -0.358 0.000 1.154 32 Y CA 1.789 59.687 58.100 -0.337 0.000 1.229 32 Y CB -0.618 37.470 38.460 -0.620 0.000 0.980 32 Y HN 0.609 nan 8.280 nan 0.000 0.540 33 H N -1.683 117.398 119.070 0.018 0.000 2.672 33 H HA 0.273 4.830 4.556 0.002 0.000 0.277 33 H C 0.635 176.002 175.328 0.066 0.000 1.074 33 H CA -0.457 55.598 56.048 0.011 0.000 1.173 33 H CB 0.534 30.065 29.762 -0.385 0.000 1.558 33 H HN -0.016 nan 8.280 nan 0.000 0.539 34 R N 1.236 121.712 120.500 -0.039 0.000 2.500 34 R HA 0.366 4.707 4.340 0.002 0.000 0.275 34 R C -0.894 175.210 176.300 -0.328 0.000 1.051 34 R CA -0.515 55.464 56.100 -0.201 0.000 1.088 34 R CB 0.877 30.792 30.300 -0.641 0.000 1.063 34 R HN -0.033 nan 8.270 nan 0.000 0.511 35 V N 5.048 124.822 119.914 -0.234 0.000 2.370 35 V HA 0.324 4.445 4.120 0.002 0.000 0.279 35 V C -0.594 175.089 176.094 -0.685 0.000 1.029 35 V CA -0.385 61.645 62.300 -0.450 0.000 0.870 35 V CB 0.901 32.456 31.823 -0.446 0.000 0.984 35 V HN 0.548 nan 8.190 nan 0.000 0.451 36 F N 3.716 123.332 119.950 -0.556 0.000 2.379 36 F HA 0.613 5.141 4.527 0.002 0.000 0.332 36 F C 0.264 175.746 175.800 -0.530 0.000 1.096 36 F CA -0.665 56.956 58.000 -0.631 0.000 1.105 36 F CB 1.550 39.842 39.000 -1.179 0.000 1.189 36 F HN 0.152 nan 8.300 nan 0.000 0.515 37 V N 2.658 122.521 119.914 -0.084 0.000 2.443 37 V HA 0.254 4.375 4.120 0.002 0.000 0.293 37 V C -0.142 175.971 176.094 0.031 0.000 1.021 37 V CA -0.795 61.481 62.300 -0.041 0.000 0.848 37 V CB 1.318 33.172 31.823 0.053 0.000 0.998 37 V HN 0.788 nan 8.190 nan 0.000 0.424 38 N N 2.958 121.682 118.700 0.039 0.000 2.387 38 N HA 0.210 4.951 4.740 0.002 0.000 0.176 38 N C 0.459 175.981 175.510 0.020 0.000 1.022 38 N CA 0.330 53.402 53.050 0.037 0.000 0.883 38 N CB 0.373 38.875 38.487 0.026 0.000 1.019 38 N HN 0.517 nan 8.380 nan 0.000 0.435 39 R N 0.200 120.714 120.500 0.023 0.000 2.673 39 R HA 0.392 4.733 4.340 0.002 0.000 0.281 39 R C -1.012 175.321 176.300 0.055 0.000 0.991 39 R CA -0.552 55.569 56.100 0.036 0.000 0.896 39 R CB 2.119 32.438 30.300 0.032 0.000 1.201 39 R HN -0.025 nan 8.270 nan 0.000 0.457 40 S N 2.098 117.839 115.700 0.068 0.000 2.563 40 S HA 0.153 4.624 4.470 0.002 0.000 0.284 40 S C -0.367 174.298 174.600 0.107 0.000 1.331 40 S CA -0.070 58.182 58.200 0.088 0.000 1.047 40 S CB 0.342 63.580 63.200 0.063 0.000 0.859 40 S HN 0.419 nan 8.310 nan 0.000 0.514 41 L N 2.034 123.355 121.223 0.163 0.000 2.528 41 L HA 0.596 4.937 4.340 0.002 0.000 0.267 41 L C -0.728 176.282 176.870 0.234 0.000 0.961 41 L CA -0.533 54.417 54.840 0.184 0.000 0.866 41 L CB 1.140 43.306 42.059 0.179 0.000 1.248 41 L HN 0.710 nan 8.230 nan 0.000 0.404 42 A N 5.609 128.520 122.820 0.152 0.000 2.343 42 A HA 0.350 4.671 4.320 0.002 0.000 0.305 42 A C 1.051 178.740 177.584 0.175 0.000 1.308 42 A CA -0.525 51.586 52.037 0.124 0.000 0.949 42 A CB 0.538 19.580 19.000 0.071 0.000 1.148 42 A HN 0.852 nan 8.150 nan 0.000 0.545 43 M N 1.137 120.886 119.600 0.249 0.000 2.267 43 M HA -0.152 4.329 4.480 0.002 0.000 0.263 43 M C 1.733 178.191 176.300 0.264 0.000 1.063 43 M CA 1.510 57.007 55.300 0.329 0.000 1.090 43 M CB -1.008 31.856 32.600 0.440 0.000 1.392 43 M HN 0.982 nan 8.290 nan 0.000 0.422 44 E N 0.661 120.976 120.200 0.191 0.000 2.209 44 E HA -0.188 4.163 4.350 0.002 0.000 0.196 44 E C 1.509 178.166 176.600 0.094 0.000 0.993 44 E CA 1.040 57.528 56.400 0.147 0.000 0.819 44 E CB 0.178 29.941 29.700 0.104 0.000 0.745 44 E HN 0.465 nan 8.360 nan 0.000 0.477 45 K N 0.049 120.495 120.400 0.076 0.000 2.459 45 K HA 0.045 4.366 4.320 0.002 0.000 0.193 45 K C 0.132 176.726 176.600 -0.010 0.000 1.030 45 K CA -0.048 56.259 56.287 0.034 0.000 1.026 45 K CB 0.507 33.028 32.500 0.036 0.000 0.809 45 K HN 0.139 nan 8.250 nan 0.000 0.504 46 I N 2.310 122.866 120.570 -0.023 0.000 2.396 46 I HA -0.008 4.163 4.170 0.002 0.000 0.289 46 I C 1.113 177.079 176.117 -0.252 0.000 1.056 46 I CA 0.413 61.602 61.300 -0.186 0.000 1.365 46 I CB 1.093 38.915 38.000 -0.296 0.000 1.407 46 I HN -0.023 nan 8.210 nan 0.000 0.509 47 K N 4.107 124.358 120.400 -0.247 0.000 2.335 47 K HA 0.202 4.523 4.320 0.002 0.000 0.195 47 K C -0.045 176.437 176.600 -0.197 0.000 1.058 47 K CA 0.508 56.695 56.287 -0.166 0.000 0.988 47 K CB 0.383 32.830 32.500 -0.088 0.000 0.880 47 K HN 0.526 nan 8.250 nan 0.000 0.513 48 C N 1.157 120.268 119.300 -0.315 0.000 2.482 48 C HA 0.560 5.021 4.460 0.002 0.000 0.317 48 C C -0.822 173.959 174.990 -0.348 0.000 1.197 48 C CA -1.013 57.924 59.018 -0.135 0.000 1.432 48 C CB 0.069 27.859 27.740 0.083 0.000 2.062 48 C HN 0.142 nan 8.230 nan 0.000 0.471 49 F N 1.830 121.806 119.950 0.043 0.000 2.426 49 F HA 0.624 5.152 4.527 0.002 0.000 0.348 49 F C 0.826 176.373 175.800 -0.421 0.000 1.124 49 F CA -0.073 57.837 58.000 -0.151 0.000 1.008 49 F CB 1.449 40.409 39.000 -0.066 0.000 1.139 49 F HN 0.747 nan 8.300 nan 0.000 0.452 50 G N 2.625 111.015 108.800 -0.684 0.000 2.448 50 G HA2 0.713 4.674 3.960 0.002 0.000 0.324 50 G HA3 0.713 4.674 3.960 0.002 0.000 0.324 50 G C -1.781 172.618 174.900 -0.834 0.000 1.203 50 G CA -0.504 43.795 45.100 -1.335 0.000 0.954 50 G HN 0.387 nan 8.290 nan 0.000 0.480 51 F N -0.070 119.690 119.950 -0.317 0.000 2.565 51 F HA 0.353 4.881 4.527 0.002 0.000 0.313 51 F C 0.087 175.831 175.800 -0.094 0.000 1.091 51 F CA -0.756 57.076 58.000 -0.281 0.000 0.915 51 F CB 2.637 41.547 39.000 -0.150 0.000 1.208 51 F HN 0.491 nan 8.300 nan 0.000 0.453 52 D N 1.793 122.195 120.400 0.005 0.000 2.354 52 D HA 0.214 4.855 4.640 0.002 0.000 0.247 52 D C 0.528 176.911 176.300 0.137 0.000 1.138 52 D CA -0.140 53.965 54.000 0.175 0.000 0.958 52 D CB 1.135 42.048 40.800 0.189 0.000 1.144 52 D HN 0.617 nan 8.370 nan 0.000 0.458 53 M N 0.677 120.357 119.600 0.134 0.000 2.508 53 M HA 0.106 4.587 4.480 0.002 0.000 0.238 53 M C -0.327 176.041 176.300 0.113 0.000 1.210 53 M CA 0.255 55.592 55.300 0.061 0.000 1.231 53 M CB 0.246 32.851 32.600 0.009 0.000 1.201 53 M HN 0.281 nan 8.290 nan 0.000 0.491 54 D N 0.729 121.273 120.400 0.240 0.000 2.417 54 D HA 0.047 4.688 4.640 0.002 0.000 0.250 54 D C -0.577 175.924 176.300 0.335 0.000 1.166 54 D CA 0.573 54.768 54.000 0.325 0.000 0.881 54 D CB 0.277 41.481 40.800 0.674 0.000 1.164 54 D HN 0.413 nan 8.370 nan 0.000 0.467 55 Y N 0.012 120.401 120.300 0.149 0.000 4.604 55 Y HA -0.337 4.214 4.550 0.002 0.000 0.230 55 Y C 1.461 177.447 175.900 0.143 0.000 1.066 55 Y CA 1.178 59.339 58.100 0.102 0.000 1.990 55 Y CB -1.912 36.567 38.460 0.032 0.000 1.619 55 Y HN 0.391 nan 8.280 nan 0.000 0.649 56 T N -1.658 113.046 114.554 0.251 0.000 3.447 56 T HA 0.231 4.582 4.350 0.002 0.000 0.218 56 T C 1.685 176.508 174.700 0.205 0.000 0.972 56 T CA 0.422 62.669 62.100 0.245 0.000 1.264 56 T CB -0.181 68.792 68.868 0.175 0.000 1.284 56 T HN 0.113 nan 8.240 nan 0.000 0.361 57 L N 1.013 122.237 121.223 0.002 0.000 2.072 57 L HA 0.271 4.612 4.340 0.002 0.000 0.205 57 L C 1.228 178.096 176.870 -0.002 0.000 1.079 57 L CA 0.589 55.376 54.840 -0.088 0.000 0.752 57 L CB -0.225 41.693 42.059 -0.235 0.000 0.906 57 L HN 0.219 nan 8.230 nan 0.000 0.436 58 A N 0.296 123.055 122.820 -0.101 0.000 2.412 58 A HA 0.522 4.843 4.320 0.002 0.000 0.334 58 A C -0.606 176.691 177.584 -0.478 0.000 1.419 58 A CA -0.313 51.544 52.037 -0.301 0.000 0.930 58 A CB 0.349 19.104 19.000 -0.407 0.000 1.149 58 A HN -0.051 nan 8.150 nan 0.000 0.515 59 V N 3.925 123.672 119.914 -0.278 0.000 2.385 59 V HA 0.177 4.298 4.120 0.002 0.000 0.269 59 V C -0.564 175.338 176.094 -0.321 0.000 1.043 59 V CA -0.291 61.923 62.300 -0.143 0.000 0.906 59 V CB -0.004 31.943 31.823 0.206 0.000 0.995 59 V HN 0.708 nan 8.190 nan 0.000 0.467 60 Y N 3.673 123.780 120.300 -0.321 0.000 2.359 60 Y HA 0.255 4.806 4.550 0.001 0.000 0.330 60 Y C 1.033 176.957 175.900 0.040 0.000 1.143 60 Y CA -0.283 57.636 58.100 -0.302 0.000 1.318 60 Y CB 0.465 38.375 38.460 -0.916 0.000 1.234 60 Y HN 0.486 nan 8.280 nan 0.000 0.522 61 K N 1.608 122.097 120.400 0.150 0.000 2.382 61 K HA 0.249 4.570 4.320 0.002 0.000 0.275 61 K C -0.028 176.592 176.600 0.033 0.000 1.009 61 K CA -0.182 56.126 56.287 0.036 0.000 0.970 61 K CB 0.751 33.261 32.500 0.016 0.000 0.934 61 K HN 0.566 nan 8.250 nan 0.000 0.479 62 S N 2.264 117.815 115.700 -0.248 0.000 2.482 62 S HA 0.388 4.859 4.470 0.002 0.000 0.303 62 S C -2.121 172.354 174.600 -0.207 0.000 1.091 62 S CA -1.731 56.306 58.200 -0.271 0.000 1.057 62 S CB 1.165 63.878 63.200 -0.811 0.000 1.031 62 S HN 0.431 nan 8.310 nan 0.000 0.485 63 P HA 0.242 nan 4.420 nan 0.000 0.262 63 P C 0.327 177.682 177.300 0.092 0.000 1.304 63 P CA 0.057 63.198 63.100 0.068 0.000 0.859 63 P CB 0.315 32.104 31.700 0.150 0.000 1.310 64 E N -0.410 119.852 120.200 0.104 0.000 2.085 64 E HA -0.209 4.142 4.350 0.002 0.000 0.194 64 E C 1.778 178.581 176.600 0.340 0.000 0.994 64 E CA 1.423 57.936 56.400 0.188 0.000 0.801 64 E CB -0.948 28.820 29.700 0.113 0.000 0.743 64 E HN 0.281 nan 8.360 nan 0.000 0.453 65 Y N 1.265 121.708 120.300 0.239 0.000 2.220 65 Y HA -0.125 4.426 4.550 0.001 0.000 0.291 65 Y C 1.759 177.662 175.900 0.005 0.000 1.129 65 Y CA 1.541 59.738 58.100 0.162 0.000 1.161 65 Y CB 0.034 38.619 38.460 0.208 0.000 0.997 65 Y HN -0.037 nan 8.280 nan 0.000 0.522 66 E N -0.348 119.846 120.200 -0.010 0.000 2.085 66 E HA -0.189 4.162 4.350 0.002 0.000 0.194 66 E C 2.347 178.640 176.600 -0.510 0.000 0.994 66 E CA 1.784 57.977 56.400 -0.346 0.000 0.801 66 E CB -0.360 28.978 29.700 -0.603 0.000 0.743 66 E HN 0.302 nan 8.360 nan 0.000 0.453 67 S N 0.413 115.919 115.700 -0.323 0.000 2.368 67 S HA -0.123 4.348 4.470 0.002 0.000 0.225 67 S C 1.815 176.420 174.600 0.009 0.000 1.030 67 S CA 0.839 58.985 58.200 -0.090 0.000 0.999 67 S CB -0.254 62.988 63.200 0.070 0.000 0.844 67 S HN 0.165 nan 8.310 nan 0.000 0.459 68 L N 2.125 123.308 121.223 -0.067 0.000 2.017 68 L HA 0.039 4.380 4.340 0.002 0.000 0.208 68 L C 2.273 179.008 176.870 -0.225 0.000 1.073 68 L CA 2.101 56.859 54.840 -0.137 0.000 0.745 68 L CB -1.369 40.519 42.059 -0.285 0.000 0.894 68 L HN 0.292 nan 8.230 nan 0.000 0.432 69 G N -1.171 107.415 108.800 -0.357 0.000 2.446 69 G HA2 -0.366 3.595 3.960 0.002 0.000 0.217 69 G HA3 -0.366 3.595 3.960 0.002 0.000 0.217 69 G C 1.601 176.437 174.900 -0.106 0.000 1.168 69 G CA 0.946 45.860 45.100 -0.309 0.000 0.771 69 G HN 0.473 nan 8.290 nan 0.000 0.551 70 F N 1.369 121.226 119.950 -0.156 0.000 2.069 70 F HA -0.091 4.437 4.527 0.001 0.000 0.298 70 F C 2.599 178.396 175.800 -0.005 0.000 1.113 70 F CA 2.285 60.276 58.000 -0.015 0.000 1.214 70 F CB -0.213 38.846 39.000 0.100 0.000 0.978 70 F HN 0.309 nan 8.300 nan 0.000 0.474 71 E N 0.272 120.568 120.200 0.159 0.000 2.058 71 E HA -0.226 4.125 4.350 0.002 0.000 0.194 71 E C 2.257 178.807 176.600 -0.084 0.000 0.997 71 E CA 1.776 58.210 56.400 0.057 0.000 0.801 71 E CB -0.329 29.426 29.700 0.092 0.000 0.746 71 E HN 0.536 nan 8.360 nan 0.000 0.450 72 L N 0.213 121.377 121.223 -0.099 0.000 2.093 72 L HA -0.135 4.206 4.340 0.002 0.000 0.208 72 L C 2.609 179.405 176.870 -0.123 0.000 1.085 72 L CA 1.387 56.166 54.840 -0.102 0.000 0.755 72 L CB -0.499 41.486 42.059 -0.123 0.000 0.904 72 L HN 0.210 nan 8.230 nan 0.000 0.435 73 T N -0.498 113.949 114.554 -0.177 0.000 2.746 73 T HA -0.141 4.210 4.350 0.002 0.000 0.267 73 T C 2.045 176.565 174.700 -0.300 0.000 1.039 73 T CA 1.198 63.171 62.100 -0.211 0.000 1.142 73 T CB -0.199 68.539 68.868 -0.217 0.000 0.866 73 T HN 0.042 nan 8.240 nan 0.000 0.444 74 V N 1.536 121.220 119.914 -0.383 0.000 2.343 74 V HA -0.185 3.936 4.120 0.002 0.000 0.247 74 V C 2.499 178.416 176.094 -0.295 0.000 1.051 74 V CA 1.712 63.773 62.300 -0.398 0.000 1.036 74 V CB -0.575 30.982 31.823 -0.444 0.000 0.654 74 V HN 0.548 nan 8.190 nan 0.000 0.451 75 E N -0.312 119.755 120.200 -0.221 0.000 2.110 75 E HA -0.272 4.079 4.350 0.002 0.000 0.193 75 E C 2.382 178.859 176.600 -0.205 0.000 0.988 75 E CA 1.267 57.562 56.400 -0.173 0.000 0.804 75 E CB -0.156 29.478 29.700 -0.109 0.000 0.745 75 E HN 0.336 nan 8.360 nan 0.000 0.458 76 R N 1.219 121.574 120.500 -0.242 0.000 2.075 76 R HA -0.084 4.257 4.340 0.002 0.000 0.232 76 R C 2.050 178.140 176.300 -0.350 0.000 1.126 76 R CA 1.223 57.095 56.100 -0.379 0.000 0.963 76 R CB -0.624 29.431 30.300 -0.407 0.000 0.858 76 R HN 0.150 nan 8.270 nan 0.000 0.435 77 L N -0.330 120.695 121.223 -0.330 0.000 2.046 77 L HA -0.162 4.179 4.340 0.002 0.000 0.208 77 L C 2.311 179.099 176.870 -0.136 0.000 1.077 77 L CA 1.258 55.897 54.840 -0.335 0.000 0.747 77 L CB -0.491 41.217 42.059 -0.585 0.000 0.896 77 L HN 0.046 nan 8.230 nan 0.000 0.432 78 V N -1.088 118.728 119.914 -0.164 0.000 2.343 78 V HA -0.309 3.812 4.120 0.002 0.000 0.247 78 V C 2.693 178.731 176.094 -0.093 0.000 1.051 78 V CA 1.926 64.165 62.300 -0.102 0.000 1.036 78 V CB -0.429 31.303 31.823 -0.151 0.000 0.654 78 V HN 0.475 nan 8.190 nan 0.000 0.451 79 S N 0.710 116.322 115.700 -0.146 0.000 2.365 79 S HA -0.221 4.250 4.470 0.002 0.000 0.225 79 S C 1.840 176.362 174.600 -0.129 0.000 1.039 79 S CA 2.269 60.377 58.200 -0.154 0.000 1.033 79 S CB -0.494 62.564 63.200 -0.237 0.000 0.887 79 S HN 0.735 nan 8.310 nan 0.000 0.447 80 I N -2.481 118.013 120.570 -0.127 0.000 3.564 80 I HA 0.428 4.599 4.170 0.002 0.000 0.294 80 I C 1.241 177.350 176.117 -0.014 0.000 1.289 80 I CA 0.644 61.895 61.300 -0.082 0.000 1.325 80 I CB -0.173 37.770 38.000 -0.095 0.000 1.039 80 I HN 0.432 nan 8.210 nan 0.000 0.474 81 G N -0.260 108.545 108.800 0.008 0.000 2.227 81 G HA2 -0.214 3.747 3.960 0.002 0.000 0.168 81 G HA3 -0.214 3.747 3.960 0.002 0.000 0.168 81 G C -0.103 174.791 174.900 -0.011 0.000 1.006 81 G CA -0.554 44.539 45.100 -0.013 0.000 0.684 81 G HN 0.318 nan 8.290 nan 0.000 0.489 82 Y N 1.452 121.710 120.300 -0.069 0.000 2.426 82 Y HA 0.406 4.957 4.550 0.001 0.000 0.344 82 Y C -1.427 174.425 175.900 -0.081 0.000 1.256 82 Y CA -1.144 56.930 58.100 -0.043 0.000 1.451 82 Y CB 0.236 38.644 38.460 -0.086 0.000 1.342 82 Y HN 0.016 nan 8.280 nan 0.000 0.600 83 P HA -0.030 nan 4.420 nan 0.000 0.267 83 P C 0.044 177.235 177.300 -0.182 0.000 1.200 83 P CA -0.031 63.048 63.100 -0.035 0.000 0.772 83 P CB 0.661 32.376 31.700 0.026 0.000 0.855 84 Q N 1.597 121.313 119.800 -0.139 0.000 2.291 84 Q HA -0.182 4.159 4.340 0.002 0.000 0.206 84 Q C 1.374 177.205 176.000 -0.281 0.000 0.976 84 Q CA 1.547 57.244 55.803 -0.177 0.000 0.875 84 Q CB -0.342 28.334 28.738 -0.102 0.000 0.927 84 Q HN 0.574 nan 8.270 nan 0.000 0.450 85 E N 0.476 120.468 120.200 -0.347 0.000 2.267 85 E HA -0.152 4.199 4.350 0.002 0.000 0.197 85 E C 1.731 177.837 176.600 -0.823 0.000 0.998 85 E CA 0.421 56.547 56.400 -0.458 0.000 0.830 85 E CB -0.194 29.247 29.700 -0.432 0.000 0.751 85 E HN 0.139 nan 8.360 nan 0.000 0.491 86 L N -0.009 120.585 121.223 -1.048 0.000 2.129 86 L HA -0.193 4.148 4.340 0.002 0.000 0.212 86 L C 1.875 178.164 176.870 -0.968 0.000 1.087 86 L CA 1.405 55.345 54.840 -1.500 0.000 0.757 86 L CB -0.443 41.056 42.059 -0.933 0.000 0.896 86 L HN 0.226 nan 8.230 nan 0.000 0.434 87 L N -1.031 119.883 121.223 -0.514 0.000 2.456 87 L HA -0.138 4.203 4.340 0.002 0.000 0.224 87 L C 2.333 179.113 176.870 -0.150 0.000 1.148 87 L CA 1.071 55.752 54.840 -0.265 0.000 0.825 87 L CB -0.662 41.291 42.059 -0.178 0.000 0.937 87 L HN 0.427 nan 8.230 nan 0.000 0.450 88 S N -1.151 114.438 115.700 -0.185 0.000 2.562 88 S HA 0.059 4.530 4.470 0.002 0.000 0.221 88 S C 0.667 175.390 174.600 0.204 0.000 0.975 88 S CA -0.371 57.832 58.200 0.004 0.000 0.918 88 S CB -0.239 62.969 63.200 0.012 0.000 0.772 88 S HN 0.044 nan 8.310 nan 0.000 0.531 89 F N 2.742 122.740 119.950 0.080 0.000 2.450 89 F HA 0.668 5.196 4.527 0.002 0.000 0.339 89 F C 0.789 176.780 175.800 0.318 0.000 1.146 89 F CA -1.714 56.416 58.000 0.216 0.000 1.267 89 F CB 0.249 39.449 39.000 0.334 0.000 1.178 89 F HN 0.253 nan 8.300 nan 0.000 0.585 90 A N 2.071 125.161 122.820 0.451 0.000 2.455 90 A HA 0.471 4.792 4.320 0.002 0.000 0.300 90 A C -1.603 175.924 177.584 -0.096 0.000 1.040 90 A CA -0.729 51.446 52.037 0.231 0.000 0.697 90 A CB 0.521 19.602 19.000 0.134 0.000 1.265 90 A HN 0.597 nan 8.150 nan 0.000 0.407 91 Y N 1.719 121.692 120.300 -0.546 0.000 2.712 91 Y HA 0.281 4.832 4.550 0.002 0.000 0.333 91 Y C -0.045 175.499 175.900 -0.595 0.000 1.225 91 Y CA 1.143 58.746 58.100 -0.828 0.000 1.499 91 Y CB 0.549 38.677 38.460 -0.553 0.000 1.288 91 Y HN 0.663 nan 8.280 nan 0.000 0.575 92 D N 3.545 122.877 120.400 -1.780 0.000 2.440 92 D HA 0.137 4.778 4.640 0.002 0.000 0.252 92 D C 0.483 176.032 176.300 -1.252 0.000 1.180 92 D CA -0.020 53.237 54.000 -1.238 0.000 0.894 92 D CB 0.956 41.131 40.800 -1.042 0.000 1.111 92 D HN 0.546 nan 8.370 nan 0.000 0.544 93 S N 1.514 116.768 115.700 -0.744 0.000 2.469 93 S HA -0.184 4.287 4.470 0.002 0.000 0.238 93 S C 1.718 176.218 174.600 -0.167 0.000 0.998 93 S CA 1.405 59.412 58.200 -0.321 0.000 0.957 93 S CB -0.610 62.590 63.200 -0.002 0.000 0.764 93 S HN 0.532 nan 8.310 nan 0.000 0.514 94 T N -2.152 112.285 114.554 -0.195 0.000 3.085 94 T HA 0.128 4.479 4.350 0.002 0.000 0.263 94 T C 1.198 175.886 174.700 -0.019 0.000 1.127 94 T CA 0.270 62.322 62.100 -0.080 0.000 1.103 94 T CB -0.562 68.261 68.868 -0.073 0.000 0.921 94 T HN 0.410 nan 8.240 nan 0.000 0.510 95 F N 3.796 123.641 119.950 -0.176 0.000 2.123 95 F HA 0.329 4.857 4.527 0.002 0.000 0.289 95 F C -1.764 174.096 175.800 0.100 0.000 1.099 95 F CA -0.790 57.217 58.000 0.012 0.000 1.234 95 F CB -0.408 38.662 39.000 0.118 0.000 1.034 95 F HN 0.038 nan 8.300 nan 0.000 0.479 96 P HA 0.178 nan 4.420 nan 0.000 0.279 96 P C -1.086 176.197 177.300 -0.028 0.000 1.239 96 P CA 0.210 63.343 63.100 0.056 0.000 0.789 96 P CB 1.622 33.516 31.700 0.322 0.000 0.933 97 T N 2.293 116.792 114.554 -0.093 0.000 2.885 97 T HA 0.378 4.729 4.350 0.002 0.000 0.285 97 T C 0.187 174.803 174.700 -0.140 0.000 1.019 97 T CA -0.597 61.428 62.100 -0.126 0.000 1.010 97 T CB 1.367 70.136 68.868 -0.166 0.000 1.022 97 T HN 0.340 nan 8.240 nan 0.000 0.466 98 R N 0.627 120.980 120.500 -0.244 0.000 2.641 98 R HA 0.454 4.795 4.340 0.002 0.000 0.269 98 R C 1.207 177.306 176.300 -0.335 0.000 1.074 98 R CA 1.316 57.242 56.100 -0.290 0.000 1.133 98 R CB -0.071 29.959 30.300 -0.451 0.000 1.029 98 R HN 0.953 nan 8.270 nan 0.000 0.488 99 G N 2.402 111.071 108.800 -0.219 0.000 2.157 99 G HA2 -0.240 3.721 3.960 0.002 0.000 0.239 99 G HA3 -0.240 3.721 3.960 0.002 0.000 0.239 99 G C 0.010 174.876 174.900 -0.057 0.000 0.982 99 G CA 0.059 45.075 45.100 -0.139 0.000 0.650 99 G HN 0.430 nan 8.290 nan 0.000 0.527 100 L N 0.170 121.378 121.223 -0.025 0.000 2.472 100 L HA 0.519 4.860 4.340 0.002 0.000 0.260 100 L C 0.822 177.735 176.870 0.071 0.000 1.209 100 L CA -0.655 54.199 54.840 0.022 0.000 0.817 100 L CB 0.948 43.044 42.059 0.063 0.000 1.106 100 L HN -0.044 nan 8.230 nan 0.000 0.479 101 V N 1.545 121.499 119.914 0.067 0.000 2.417 101 V HA 0.253 4.374 4.120 0.002 0.000 0.291 101 V C -0.437 175.776 176.094 0.199 0.000 1.024 101 V CA -0.456 61.905 62.300 0.101 0.000 0.861 101 V CB 1.393 33.200 31.823 -0.026 0.000 0.985 101 V HN 0.358 nan 8.190 nan 0.000 0.436 102 F N 4.058 124.077 119.950 0.116 0.000 2.411 102 F HA 0.439 4.967 4.527 0.002 0.000 0.355 102 F C 0.350 176.175 175.800 0.042 0.000 1.117 102 F CA -0.710 57.327 58.000 0.062 0.000 1.139 102 F CB 0.996 40.007 39.000 0.018 0.000 1.120 102 F HN 0.554 nan 8.300 nan 0.000 0.493 103 D N 4.140 124.241 120.400 -0.498 0.000 2.393 103 D HA 0.058 4.699 4.640 0.002 0.000 0.232 103 D C 1.215 177.085 176.300 -0.717 0.000 1.192 103 D CA 0.043 53.842 54.000 -0.335 0.000 0.882 103 D CB 1.095 41.914 40.800 0.033 0.000 1.038 103 D HN 0.696 nan 8.370 nan 0.000 0.499 104 T N 1.365 115.624 114.554 -0.491 0.000 3.007 104 T HA -0.154 4.197 4.350 0.002 0.000 0.270 104 T C 1.756 176.347 174.700 -0.181 0.000 1.107 104 T CA 0.264 62.221 62.100 -0.237 0.000 1.118 104 T CB -0.029 68.752 68.868 -0.145 0.000 0.889 104 T HN 0.300 nan 8.240 nan 0.000 0.506 105 L N -0.222 120.782 121.223 -0.366 0.000 2.049 105 L HA 0.209 4.550 4.340 0.002 0.000 0.203 105 L C 1.597 178.306 176.870 -0.268 0.000 1.074 105 L CA 1.592 56.181 54.840 -0.419 0.000 0.749 105 L CB -0.507 41.085 42.059 -0.779 0.000 0.907 105 L HN 0.230 nan 8.230 nan 0.000 0.439 106 Y N -0.423 119.783 120.300 -0.157 0.000 2.467 106 Y HA 0.486 5.036 4.550 0.002 0.000 0.250 106 Y C 1.653 177.191 175.900 -0.604 0.000 1.155 106 Y CA -0.347 57.639 58.100 -0.189 0.000 1.249 106 Y CB -0.098 38.254 38.460 -0.179 0.000 1.146 106 Y HN 0.226 nan 8.280 nan 0.000 0.524 107 G N 0.932 109.295 108.800 -0.729 0.000 2.160 107 G HA2 -0.268 3.692 3.960 0.002 0.000 0.244 107 G HA3 -0.268 3.692 3.960 0.002 0.000 0.244 107 G C -0.262 174.286 174.900 -0.587 0.000 1.022 107 G CA -0.096 44.358 45.100 -1.077 0.000 0.741 107 G HN 0.258 nan 8.290 nan 0.000 0.508 108 N N -0.284 118.147 118.700 -0.448 0.000 2.487 108 N HA 0.584 5.325 4.740 0.002 0.000 0.292 108 N C 0.187 175.598 175.510 -0.166 0.000 1.108 108 N CA -0.412 52.554 53.050 -0.140 0.000 0.956 108 N CB 1.513 40.039 38.487 0.065 0.000 1.176 108 N HN 0.220 nan 8.380 nan 0.000 0.484 109 L N 2.171 123.423 121.223 0.048 0.000 2.276 109 L HA 0.441 4.782 4.340 0.002 0.000 0.286 109 L C -0.305 176.582 176.870 0.028 0.000 1.061 109 L CA -0.482 54.440 54.840 0.137 0.000 0.807 109 L CB 0.663 42.867 42.059 0.241 0.000 1.177 109 L HN 0.228 nan 8.230 nan 0.000 0.429 110 L N 4.204 125.428 121.223 0.002 0.000 2.346 110 L HA 0.525 4.866 4.340 0.002 0.000 0.276 110 L C -0.322 176.515 176.870 -0.055 0.000 1.006 110 L CA -0.679 54.116 54.840 -0.074 0.000 0.817 110 L CB 2.033 43.988 42.059 -0.173 0.000 1.272 110 L HN 0.486 nan 8.230 nan 0.000 0.421 111 K N 3.088 123.456 120.400 -0.054 0.000 2.265 111 K HA 0.639 4.960 4.320 0.002 0.000 0.267 111 K C -0.924 175.633 176.600 -0.070 0.000 0.994 111 K CA -0.537 55.720 56.287 -0.051 0.000 0.860 111 K CB 1.594 34.079 32.500 -0.025 0.000 1.099 111 K HN 0.493 nan 8.250 nan 0.000 0.448 112 V N 0.490 120.355 119.914 -0.081 0.000 3.074 112 V HA 0.542 4.663 4.120 0.002 0.000 0.314 112 V C -0.536 175.530 176.094 -0.048 0.000 1.117 112 V CA -0.946 61.301 62.300 -0.088 0.000 1.014 112 V CB 1.676 33.402 31.823 -0.162 0.000 1.057 112 V HN 0.910 nan 8.190 nan 0.000 0.438 113 D N 2.096 122.486 120.400 -0.016 0.000 2.478 113 D HA 0.510 5.151 4.640 0.002 0.000 0.269 113 D C 1.160 177.430 176.300 -0.050 0.000 1.232 113 D CA 0.006 54.011 54.000 0.008 0.000 1.059 113 D CB 1.232 42.084 40.800 0.088 0.000 1.104 113 D HN 0.853 nan 8.370 nan 0.000 0.566 114 A N -1.131 121.611 122.820 -0.131 0.000 2.125 114 A HA -0.129 4.192 4.320 0.002 0.000 0.219 114 A C 1.371 178.698 177.584 -0.430 0.000 1.156 114 A CA 0.964 52.804 52.037 -0.329 0.000 0.671 114 A CB -0.968 17.724 19.000 -0.514 0.000 0.794 114 A HN 0.562 nan 8.150 nan 0.000 0.459 115 Y N -1.307 119.013 120.300 0.033 0.000 2.458 115 Y HA 0.382 4.933 4.550 0.002 0.000 0.256 115 Y C 1.775 177.747 175.900 0.120 0.000 1.159 115 Y CA -0.003 58.151 58.100 0.089 0.000 1.261 115 Y CB 0.062 38.582 38.460 0.099 0.000 1.119 115 Y HN 0.390 nan 8.280 nan 0.000 0.524 116 G N 0.157 108.991 108.800 0.057 0.000 2.159 116 G HA2 -0.285 3.676 3.960 0.002 0.000 0.256 116 G HA3 -0.285 3.676 3.960 0.002 0.000 0.256 116 G C -0.092 174.772 174.900 -0.060 0.000 0.977 116 G CA -0.192 44.822 45.100 -0.143 0.000 0.652 116 G HN 0.286 nan 8.290 nan 0.000 0.531 117 N N 0.211 118.980 118.700 0.115 0.000 2.513 117 N HA 0.377 5.118 4.740 0.002 0.000 0.268 117 N C 0.257 175.763 175.510 -0.007 0.000 1.180 117 N CA -0.132 52.983 53.050 0.109 0.000 0.948 117 N CB 1.040 39.612 38.487 0.143 0.000 1.083 117 N HN 0.111 nan 8.380 nan 0.000 0.455 118 L N 2.607 123.805 121.223 -0.042 0.000 2.360 118 L HA 0.136 4.477 4.340 0.002 0.000 0.276 118 L C 1.487 178.340 176.870 -0.030 0.000 1.121 118 L CA 0.404 55.183 54.840 -0.101 0.000 0.845 118 L CB 0.390 42.348 42.059 -0.169 0.000 1.143 118 L HN 0.503 nan 8.230 nan 0.000 0.452 119 L N 3.335 124.544 121.223 -0.024 0.000 2.388 119 L HA 0.287 4.628 4.340 0.002 0.000 0.209 119 L C -0.102 176.792 176.870 0.039 0.000 1.061 119 L CA 0.267 55.117 54.840 0.017 0.000 0.834 119 L CB 0.242 42.312 42.059 0.018 0.000 1.029 119 L HN 0.309 nan 8.230 nan 0.000 0.473 120 V N -1.068 118.862 119.914 0.027 0.000 2.971 120 V HA 0.324 4.445 4.120 0.002 0.000 0.309 120 V C -1.382 174.727 176.094 0.025 0.000 1.130 120 V CA -0.994 61.358 62.300 0.086 0.000 0.964 120 V CB 2.597 34.508 31.823 0.146 0.000 1.029 120 V HN 0.147 nan 8.190 nan 0.000 0.427 121 C N 3.938 123.267 119.300 0.048 0.000 2.432 121 C HA 0.895 5.356 4.460 0.002 0.000 0.334 121 C C -0.002 174.956 174.990 -0.053 0.000 1.155 121 C CA 0.040 59.047 59.018 -0.018 0.000 1.335 121 C CB -0.003 27.727 27.740 -0.017 0.000 1.964 121 C HN 1.253 nan 8.230 nan 0.000 0.444 122 A N 4.244 126.972 122.820 -0.154 0.000 2.330 122 A HA 0.689 5.010 4.320 0.002 0.000 0.313 122 A C -1.231 176.297 177.584 -0.094 0.000 1.124 122 A CA -0.319 51.514 52.037 -0.340 0.000 0.774 122 A CB 0.605 19.110 19.000 -0.824 0.000 1.198 122 A HN 1.053 nan 8.150 nan 0.000 0.465 123 H N 1.801 120.793 119.070 -0.131 0.000 2.623 123 H HA 0.514 5.071 4.556 0.002 0.000 0.299 123 H C 1.080 176.355 175.328 -0.088 0.000 1.052 123 H CA 1.154 57.155 56.048 -0.078 0.000 1.231 123 H CB 0.535 30.275 29.762 -0.037 0.000 1.389 123 H HN 1.516 nan 8.280 nan 0.000 0.469 124 G N 3.522 112.072 108.800 -0.417 0.000 2.591 124 G HA2 -0.378 3.583 3.960 0.002 0.000 0.298 124 G HA3 -0.378 3.583 3.960 0.002 0.000 0.298 124 G C 0.278 174.869 174.900 -0.515 0.000 1.195 124 G CA 0.661 45.432 45.100 -0.549 0.000 0.989 124 G HN 0.517 nan 8.290 nan 0.000 0.551 125 F N 2.126 122.048 119.950 -0.047 0.000 2.639 125 F HA 0.413 4.941 4.527 0.001 0.000 0.300 125 F C 0.933 176.851 175.800 0.197 0.000 1.109 125 F CA -0.560 57.491 58.000 0.085 0.000 1.335 125 F CB 0.001 39.055 39.000 0.090 0.000 1.014 125 F HN 0.283 nan 8.300 nan 0.000 0.537 126 N N 0.826 119.652 118.700 0.209 0.000 2.462 126 N HA 0.160 4.901 4.740 0.002 0.000 0.242 126 N C -1.136 174.456 175.510 0.137 0.000 1.010 126 N CA -0.250 52.942 53.050 0.237 0.000 0.939 126 N CB 0.106 38.713 38.487 0.201 0.000 1.127 126 N HN -0.123 nan 8.380 nan 0.000 0.509 127 F N 4.126 124.196 119.950 0.200 0.000 2.421 127 F HA 0.328 4.855 4.527 0.001 0.000 0.358 127 F C 0.503 176.381 175.800 0.129 0.000 1.115 127 F CA -0.615 57.489 58.000 0.173 0.000 1.160 127 F CB 0.510 39.615 39.000 0.175 0.000 1.123 127 F HN 0.247 nan 8.300 nan 0.000 0.508 128 I N 4.904 125.593 120.570 0.198 0.000 2.342 128 I HA 0.261 4.432 4.170 0.002 0.000 0.291 128 I C 0.685 176.885 176.117 0.138 0.000 1.010 128 I CA -0.621 60.763 61.300 0.139 0.000 1.308 128 I CB 0.607 38.664 38.000 0.095 0.000 1.400 128 I HN 0.484 nan 8.210 nan 0.000 0.488 129 R N 3.257 123.824 120.500 0.111 0.000 2.707 129 R HA 0.193 4.534 4.340 0.002 0.000 0.270 129 R C 1.385 177.730 176.300 0.075 0.000 1.083 129 R CA 0.258 56.412 56.100 0.090 0.000 1.182 129 R CB 0.464 30.804 30.300 0.067 0.000 1.084 129 R HN 0.848 nan 8.270 nan 0.000 0.528 130 G N 2.170 111.010 108.800 0.066 0.000 2.553 130 G HA2 -0.236 3.725 3.960 0.002 0.000 0.218 130 G HA3 -0.236 3.725 3.960 0.002 0.000 0.218 130 G C -1.106 173.827 174.900 0.056 0.000 1.195 130 G CA 0.628 45.764 45.100 0.059 0.000 0.779 130 G HN 0.442 nan 8.290 nan 0.000 0.577 131 P HA -0.080 nan 4.420 nan 0.000 0.216 131 P C 1.627 178.947 177.300 0.034 0.000 1.153 131 P CA 1.591 64.712 63.100 0.036 0.000 0.858 131 P CB -0.027 31.689 31.700 0.027 0.000 0.789 132 E N -0.723 119.498 120.200 0.035 0.000 2.150 132 E HA -0.154 4.197 4.350 0.002 0.000 0.193 132 E C 1.746 178.366 176.600 0.033 0.000 0.985 132 E CA 1.711 58.126 56.400 0.024 0.000 0.814 132 E CB -0.329 29.387 29.700 0.026 0.000 0.752 132 E HN 0.279 nan 8.360 nan 0.000 0.466 133 T N -1.413 113.185 114.554 0.073 0.000 2.881 133 T HA -0.116 4.235 4.350 0.002 0.000 0.270 133 T C 1.777 176.571 174.700 0.157 0.000 1.068 133 T CA 0.750 62.937 62.100 0.144 0.000 1.131 133 T CB -0.285 68.673 68.868 0.149 0.000 0.871 133 T HN 0.122 nan 8.240 nan 0.000 0.479 134 R N 1.027 121.582 120.500 0.091 0.000 2.189 134 R HA -0.000 4.341 4.340 0.002 0.000 0.223 134 R C 2.512 178.820 176.300 0.014 0.000 1.092 134 R CA 1.322 57.467 56.100 0.076 0.000 0.989 134 R CB -0.200 30.133 30.300 0.054 0.000 0.876 134 R HN 0.666 nan 8.270 nan 0.000 0.457 135 E N 0.609 120.789 120.200 -0.033 0.000 2.077 135 E HA -0.227 4.124 4.350 0.002 0.000 0.193 135 E C 1.868 178.348 176.600 -0.200 0.000 0.989 135 E CA 1.193 57.533 56.400 -0.099 0.000 0.800 135 E CB 0.040 29.671 29.700 -0.116 0.000 0.746 135 E HN 0.411 nan 8.360 nan 0.000 0.452 136 Q N -0.807 118.804 119.800 -0.316 0.000 2.339 136 Q HA 0.023 4.364 4.340 0.002 0.000 0.205 136 Q C -0.175 175.444 176.000 -0.635 0.000 0.925 136 Q CA 0.444 55.847 55.803 -0.667 0.000 0.898 136 Q CB 0.579 28.659 28.738 -1.097 0.000 1.013 136 Q HN 0.287 nan 8.270 nan 0.000 0.504 137 Y N -0.639 119.670 120.300 0.015 0.000 2.748 137 Y HA 0.280 4.831 4.550 0.002 0.000 0.359 137 Y C -2.012 173.934 175.900 0.078 0.000 1.030 137 Y CA -2.434 55.716 58.100 0.085 0.000 1.169 137 Y CB 1.077 39.584 38.460 0.077 0.000 1.127 137 Y HN 0.045 nan 8.280 nan 0.000 0.644 138 P HA -0.145 nan 4.420 nan 0.000 0.219 138 P C 1.046 178.419 177.300 0.122 0.000 1.146 138 P CA 1.477 64.642 63.100 0.109 0.000 0.808 138 P CB 0.432 32.178 31.700 0.076 0.000 0.779 139 N N -0.836 117.969 118.700 0.174 0.000 2.238 139 N HA 0.053 4.794 4.740 0.002 0.000 0.222 139 N C -0.389 175.239 175.510 0.196 0.000 1.133 139 N CA -0.159 52.979 53.050 0.145 0.000 0.854 139 N CB -0.555 37.993 38.487 0.103 0.000 1.041 139 N HN -0.216 nan 8.380 nan 0.000 0.510 140 K N 0.065 120.594 120.400 0.216 0.000 3.156 140 K HA -0.241 4.080 4.320 0.002 0.000 0.266 140 K C -1.017 175.702 176.600 0.198 0.000 0.966 140 K CA 0.657 57.048 56.287 0.173 0.000 0.719 140 K CB -1.734 30.829 32.500 0.105 0.000 1.333 140 K HN 0.367 nan 8.250 nan 0.000 0.468 141 F N 0.598 120.580 119.950 0.054 0.000 2.628 141 F HA 0.549 5.077 4.527 0.002 0.000 0.309 141 F C -0.991 174.835 175.800 0.043 0.000 1.108 141 F CA -1.256 56.756 58.000 0.020 0.000 0.971 141 F CB 1.293 40.321 39.000 0.046 0.000 1.279 141 F HN 0.053 nan 8.300 nan 0.000 0.441 142 I N 1.924 121.946 120.570 -0.914 0.000 2.646 142 I HA 0.543 4.714 4.170 0.002 0.000 0.299 142 I C -1.212 174.091 176.117 -1.358 0.000 1.036 142 I CA -0.982 59.742 61.300 -0.961 0.000 1.074 142 I CB 2.249 39.586 38.000 -1.106 0.000 1.258 142 I HN 0.635 nan 8.210 nan 0.000 0.430 143 Q N 4.282 123.676 119.800 -0.678 0.000 2.369 143 Q HA 0.308 4.649 4.340 0.002 0.000 0.247 143 Q C 0.437 176.325 176.000 -0.188 0.000 1.083 143 Q CA -0.297 55.336 55.803 -0.284 0.000 0.905 143 Q CB 1.222 30.008 28.738 0.079 0.000 1.305 143 Q HN 0.617 nan 8.270 nan 0.000 0.465 144 R N 1.517 121.875 120.500 -0.238 0.000 2.139 144 R HA -0.164 4.177 4.340 0.002 0.000 0.243 144 R C 0.734 177.028 176.300 -0.010 0.000 1.145 144 R CA 1.187 57.197 56.100 -0.149 0.000 0.976 144 R CB 0.122 30.346 30.300 -0.127 0.000 0.866 144 R HN 0.633 nan 8.270 nan 0.000 0.449 145 D N 0.683 121.103 120.400 0.033 0.000 2.351 145 D HA -0.119 4.521 4.640 0.002 0.000 0.216 145 D C 0.203 176.554 176.300 0.086 0.000 0.968 145 D CA 0.854 54.890 54.000 0.060 0.000 0.899 145 D CB -0.155 40.687 40.800 0.070 0.000 0.907 145 D HN 0.103 nan 8.370 nan 0.000 0.514 146 D N 0.835 121.324 120.400 0.147 0.000 2.619 146 D HA -0.008 4.633 4.640 0.002 0.000 0.224 146 D C 1.250 177.637 176.300 0.144 0.000 1.133 146 D CA -0.005 54.086 54.000 0.151 0.000 1.017 146 D CB 0.107 41.024 40.800 0.195 0.000 1.077 146 D HN 0.013 nan 8.370 nan 0.000 0.503 147 T N -1.163 113.442 114.554 0.084 0.000 3.055 147 T HA -0.043 4.308 4.350 0.002 0.000 0.265 147 T C 1.342 176.076 174.700 0.056 0.000 1.111 147 T CA 0.352 62.495 62.100 0.071 0.000 1.118 147 T CB 0.196 69.086 68.868 0.038 0.000 0.909 147 T HN 0.106 nan 8.240 nan 0.000 0.501 148 E N 1.285 121.497 120.200 0.019 0.000 2.274 148 E HA 0.010 4.361 4.350 0.002 0.000 0.194 148 E C 2.157 178.704 176.600 -0.089 0.000 0.996 148 E CA 0.584 56.981 56.400 -0.004 0.000 0.840 148 E CB -0.060 29.635 29.700 -0.009 0.000 0.772 148 E HN 0.621 nan 8.360 nan 0.000 0.491 149 R N -0.772 119.600 120.500 -0.212 0.000 2.123 149 R HA 0.066 4.407 4.340 0.002 0.000 0.209 149 R C -0.004 175.961 176.300 -0.559 0.000 1.078 149 R CA 0.253 56.058 56.100 -0.491 0.000 1.028 149 R CB 0.387 30.184 30.300 -0.839 0.000 0.939 149 R HN -0.111 nan 8.270 nan 0.000 0.463 150 F N 0.078 119.987 119.950 -0.068 0.000 2.436 150 F HA 0.319 4.847 4.527 0.002 0.000 0.340 150 F C -0.772 175.024 175.800 -0.008 0.000 1.113 150 F CA -0.973 56.985 58.000 -0.070 0.000 1.022 150 F CB 1.366 40.317 39.000 -0.083 0.000 1.128 150 F HN -0.088 nan 8.300 nan 0.000 0.466 151 Y N 4.232 124.561 120.300 0.048 0.000 2.328 151 Y HA 0.623 5.174 4.550 0.002 0.000 0.336 151 Y C -0.685 175.279 175.900 0.106 0.000 0.960 151 Y CA -1.079 57.053 58.100 0.052 0.000 1.134 151 Y CB 0.889 39.346 38.460 -0.005 0.000 1.166 151 Y HN 0.469 nan 8.280 nan 0.000 0.464 152 I N 7.472 127.866 120.570 -0.294 0.000 2.371 152 I HA 0.155 4.326 4.170 0.002 0.000 0.290 152 I C -0.550 175.454 176.117 -0.189 0.000 1.028 152 I CA -0.328 60.868 61.300 -0.173 0.000 1.345 152 I CB 0.919 38.807 38.000 -0.186 0.000 1.407 152 I HN 0.524 nan 8.210 nan 0.000 0.501 153 L N 7.488 128.738 121.223 0.045 0.000 2.389 153 L HA 0.240 4.581 4.340 0.002 0.000 0.265 153 L C 1.277 178.163 176.870 0.027 0.000 1.167 153 L CA -0.067 54.855 54.840 0.137 0.000 1.045 153 L CB -0.534 41.664 42.059 0.231 0.000 1.351 153 L HN 0.584 nan 8.230 nan 0.000 0.419 154 N N 0.261 118.952 118.700 -0.015 0.000 2.354 154 N HA -0.027 4.714 4.740 0.002 0.000 0.179 154 N C 0.893 176.314 175.510 -0.148 0.000 1.021 154 N CA 0.755 53.771 53.050 -0.057 0.000 0.887 154 N CB 0.388 38.843 38.487 -0.053 0.000 0.974 154 N HN 0.592 nan 8.380 nan 0.000 0.437 155 T N -2.699 111.771 114.554 -0.141 0.000 2.940 155 T HA 0.432 4.783 4.350 0.002 0.000 0.288 155 T C 1.434 176.033 174.700 -0.167 0.000 1.045 155 T CA -0.720 61.279 62.100 -0.169 0.000 1.018 155 T CB 1.431 70.269 68.868 -0.051 0.000 1.151 155 T HN -0.145 nan 8.240 nan 0.000 0.529 156 L N -0.205 120.773 121.223 -0.410 0.000 2.265 156 L HA 0.055 4.396 4.340 0.002 0.000 0.215 156 L C 2.111 178.860 176.870 -0.202 0.000 1.117 156 L CA 1.053 55.566 54.840 -0.544 0.000 0.782 156 L CB -0.617 40.660 42.059 -1.304 0.000 0.914 156 L HN 0.623 nan 8.230 nan 0.000 0.441 157 F N 0.310 120.297 119.950 0.061 0.000 2.269 157 F HA -0.195 4.333 4.527 0.001 0.000 0.301 157 F C 1.911 177.795 175.800 0.140 0.000 1.082 157 F CA 1.329 59.454 58.000 0.208 0.000 1.360 157 F CB -0.807 38.286 39.000 0.154 0.000 1.041 157 F HN 0.210 nan 8.300 nan 0.000 0.512 158 N N -0.273 118.585 118.700 0.264 0.000 2.398 158 N HA 0.052 4.793 4.740 0.002 0.000 0.188 158 N C 1.661 177.304 175.510 0.222 0.000 1.122 158 N CA -0.054 53.134 53.050 0.231 0.000 0.866 158 N CB -0.001 38.617 38.487 0.218 0.000 0.970 158 N HN 0.240 nan 8.380 nan 0.000 0.462 159 L N 0.963 122.309 121.223 0.206 0.000 2.017 159 L HA -0.067 4.274 4.340 0.002 0.000 0.208 159 L C -0.606 176.509 176.870 0.408 0.000 1.073 159 L CA 1.435 56.442 54.840 0.278 0.000 0.745 159 L CB -1.356 40.869 42.059 0.276 0.000 0.894 159 L HN 0.113 nan 8.230 nan 0.000 0.432 160 P HA -0.232 nan 4.420 nan 0.000 0.215 160 P C 1.299 178.892 177.300 0.488 0.000 1.157 160 P CA 1.617 64.976 63.100 0.431 0.000 0.874 160 P CB -0.129 31.706 31.700 0.226 0.000 0.790 161 E N -1.027 119.345 120.200 0.287 0.000 2.204 161 E HA -0.127 4.224 4.350 0.002 0.000 0.194 161 E C 1.423 178.150 176.600 0.212 0.000 0.989 161 E CA 1.410 57.918 56.400 0.180 0.000 0.824 161 E CB -1.380 28.360 29.700 0.065 0.000 0.756 161 E HN 0.114 nan 8.360 nan 0.000 0.477 162 T N 0.531 115.267 114.554 0.303 0.000 2.652 162 T HA -0.227 4.124 4.350 0.002 0.000 0.267 162 T C 1.445 176.405 174.700 0.433 0.000 1.039 162 T CA 1.687 63.995 62.100 0.345 0.000 1.153 162 T CB -0.562 68.519 68.868 0.354 0.000 0.863 162 T HN 0.342 nan 8.240 nan 0.000 0.428 163 Y N 1.450 121.984 120.300 0.390 0.000 2.200 163 Y HA 0.013 4.563 4.550 0.001 0.000 0.290 163 Y C 2.101 178.120 175.900 0.200 0.000 1.137 163 Y CA 0.477 58.754 58.100 0.295 0.000 1.163 163 Y CB -0.642 37.959 38.460 0.235 0.000 0.988 163 Y HN 0.080 nan 8.280 nan 0.000 0.518 164 L N 0.111 121.499 121.223 0.276 0.000 2.046 164 L HA -0.200 4.141 4.340 0.002 0.000 0.208 164 L C 2.156 178.947 176.870 -0.132 0.000 1.077 164 L CA 1.709 56.602 54.840 0.089 0.000 0.747 164 L CB -1.031 41.061 42.059 0.055 0.000 0.896 164 L HN 0.333 nan 8.230 nan 0.000 0.432 165 L N -0.677 120.484 121.223 -0.103 0.000 2.012 165 L HA -0.243 4.098 4.340 0.002 0.000 0.210 165 L C 2.667 179.428 176.870 -0.182 0.000 1.073 165 L CA 1.441 56.178 54.840 -0.171 0.000 0.748 165 L CB -0.986 40.882 42.059 -0.318 0.000 0.891 165 L HN 0.386 nan 8.230 nan 0.000 0.431 166 A N -0.968 121.691 122.820 -0.269 0.000 1.902 166 A HA -0.229 4.092 4.320 0.002 0.000 0.217 166 A C 2.422 179.425 177.584 -0.969 0.000 1.181 166 A CA 1.832 53.518 52.037 -0.585 0.000 0.623 166 A CB -1.211 17.343 19.000 -0.743 0.000 0.818 166 A HN 0.548 nan 8.150 nan 0.000 0.443 167 C N -0.778 117.973 119.300 -0.916 0.000 2.413 167 C HA -0.103 4.358 4.460 0.002 0.000 0.276 167 C C 2.668 177.268 174.990 -0.649 0.000 1.236 167 C CA 1.139 59.569 59.018 -0.979 0.000 1.735 167 C CB -1.561 25.410 27.740 -1.282 0.000 2.031 167 C HN 0.629 nan 8.230 nan 0.000 0.474 168 L N 0.142 121.174 121.223 -0.318 0.000 2.027 168 L HA -0.121 4.220 4.340 0.002 0.000 0.206 168 L C 2.612 179.524 176.870 0.070 0.000 1.074 168 L CA 1.227 56.061 54.840 -0.009 0.000 0.745 168 L CB -0.770 41.387 42.059 0.164 0.000 0.898 168 L HN 0.188 nan 8.230 nan 0.000 0.433 169 V N 0.244 120.180 119.914 0.036 0.000 2.332 169 V HA -0.355 3.766 4.120 0.002 0.000 0.248 169 V C 2.208 178.275 176.094 -0.044 0.000 1.055 169 V CA 2.261 64.637 62.300 0.127 0.000 1.038 169 V CB -0.590 31.200 31.823 -0.055 0.000 0.651 169 V HN 0.543 nan 8.190 nan 0.000 0.450 170 D N -0.516 119.709 120.400 -0.291 0.000 2.104 170 D HA -0.262 4.379 4.640 0.002 0.000 0.194 170 D C 1.962 178.197 176.300 -0.109 0.000 0.994 170 D CA 1.658 55.508 54.000 -0.249 0.000 0.830 170 D CB -0.223 40.275 40.800 -0.502 0.000 0.959 170 D HN 0.374 nan 8.370 nan 0.000 0.452 171 F N -0.091 119.699 119.950 -0.268 0.000 2.075 171 F HA -0.124 4.405 4.527 0.002 0.000 0.297 171 F C 1.788 177.369 175.800 -0.366 0.000 1.113 171 F CA 1.446 59.287 58.000 -0.265 0.000 1.218 171 F CB -0.625 38.202 39.000 -0.289 0.000 0.984 171 F HN -0.047 nan 8.300 nan 0.000 0.472 172 F N 0.640 120.259 119.950 -0.551 0.000 2.171 172 F HA -0.143 4.385 4.527 0.002 0.000 0.300 172 F C 2.578 177.937 175.800 -0.735 0.000 1.090 172 F CA 1.729 59.066 58.000 -1.105 0.000 1.293 172 F CB -1.582 36.252 39.000 -1.943 0.000 1.013 172 F HN -0.083 nan 8.300 nan 0.000 0.486 173 T N -0.483 113.991 114.554 -0.134 0.000 2.788 173 T HA -0.201 4.150 4.350 0.002 0.000 0.268 173 T C 1.400 176.147 174.700 0.077 0.000 1.044 173 T CA 1.806 64.036 62.100 0.216 0.000 1.139 173 T CB -0.459 68.593 68.868 0.306 0.000 0.867 173 T HN 0.303 nan 8.240 nan 0.000 0.454 174 N N -0.640 118.024 118.700 -0.060 0.000 2.236 174 N HA 0.172 4.913 4.740 0.002 0.000 0.196 174 N C -0.071 175.368 175.510 -0.120 0.000 1.114 174 N CA -0.215 52.807 53.050 -0.046 0.000 0.859 174 N CB 0.407 38.889 38.487 -0.008 0.000 0.982 174 N HN 0.265 nan 8.380 nan 0.000 0.493 175 C N 2.595 121.738 119.300 -0.262 0.000 2.325 175 C HA 0.342 4.803 4.460 0.002 0.000 0.347 175 C C -1.076 173.900 174.990 -0.025 0.000 1.263 175 C CA -1.997 56.876 59.018 -0.241 0.000 1.806 175 C CB 0.415 27.813 27.740 -0.570 0.000 2.405 175 C HN 0.328 nan 8.230 nan 0.000 0.537 176 P HA -0.072 nan 4.420 nan 0.000 0.234 176 P C 1.141 178.424 177.300 -0.028 0.000 1.167 176 P CA 1.028 64.130 63.100 0.004 0.000 0.763 176 P CB -0.094 31.606 31.700 0.000 0.000 0.835 177 R N -1.332 119.114 120.500 -0.091 0.000 2.189 177 R HA -0.034 4.307 4.340 0.002 0.000 0.223 177 R C 0.347 176.392 176.300 -0.425 0.000 1.092 177 R CA 0.843 56.770 56.100 -0.289 0.000 0.989 177 R CB -0.344 29.685 30.300 -0.452 0.000 0.876 177 R HN 0.321 nan 8.270 nan 0.000 0.457 178 Y N -0.496 119.813 120.300 0.014 0.000 2.446 178 Y HA 0.268 4.819 4.550 0.001 0.000 0.338 178 Y C 0.222 176.187 175.900 0.108 0.000 1.055 178 Y CA -0.769 57.368 58.100 0.062 0.000 1.101 178 Y CB 1.960 40.449 38.460 0.049 0.000 1.221 178 Y HN -0.287 nan 8.280 nan 0.000 0.460 179 T N 1.885 116.613 114.554 0.290 0.000 2.771 179 T HA 0.334 4.685 4.350 0.002 0.000 0.281 179 T C -0.332 174.543 174.700 0.291 0.000 0.982 179 T CA -0.820 61.421 62.100 0.235 0.000 0.978 179 T CB 0.713 69.669 68.868 0.146 0.000 0.930 179 T HN 0.525 nan 8.240 nan 0.000 0.447 180 S N 2.311 118.173 115.700 0.269 0.000 2.523 180 S HA 0.464 4.935 4.470 0.002 0.000 0.275 180 S C 0.645 175.278 174.600 0.054 0.000 1.281 180 S CA -0.889 57.413 58.200 0.171 0.000 1.050 180 S CB -0.113 63.230 63.200 0.238 0.000 0.937 180 S HN 0.957 nan 8.310 nan 0.000 0.492 181 C N 1.957 121.235 119.300 -0.037 0.000 3.119 181 C HA 0.570 5.031 4.460 0.002 0.000 0.359 181 C C 1.630 176.625 174.990 0.007 0.000 1.486 181 C CA -0.755 58.270 59.018 0.012 0.000 1.556 181 C CB 0.232 28.007 27.740 0.059 0.000 2.063 181 C HN 0.860 nan 8.230 nan 0.000 0.454 182 E N 0.192 120.426 120.200 0.057 0.000 2.153 182 E HA -0.143 4.208 4.350 0.002 0.000 0.194 182 E C 1.694 178.474 176.600 0.300 0.000 0.988 182 E CA 2.221 58.698 56.400 0.128 0.000 0.811 182 E CB -0.051 29.719 29.700 0.116 0.000 0.746 182 E HN 0.934 nan 8.360 nan 0.000 0.466 183 T N -3.250 111.430 114.554 0.211 0.000 3.085 183 T HA 0.461 4.812 4.350 0.002 0.000 0.264 183 T C 0.474 175.112 174.700 -0.103 0.000 1.019 183 T CA 0.156 62.396 62.100 0.233 0.000 0.910 183 T CB 1.163 70.131 68.868 0.166 0.000 1.059 183 T HN 0.200 nan 8.240 nan 0.000 0.542 184 G N 0.662 109.122 108.800 -0.567 0.000 2.399 184 G HA2 0.446 4.407 3.960 0.002 0.000 0.256 184 G HA3 0.446 4.407 3.960 0.002 0.000 0.256 184 G C -2.167 171.967 174.900 -1.277 0.000 1.236 184 G CA -0.987 43.291 45.100 -1.369 0.000 0.914 184 G HN 0.183 nan 8.290 nan 0.000 0.482 185 F N 0.624 120.143 119.950 -0.719 0.000 2.565 185 F HA 0.720 5.248 4.527 0.002 0.000 0.313 185 F C 0.202 175.857 175.800 -0.242 0.000 1.091 185 F CA -0.760 57.038 58.000 -0.337 0.000 0.915 185 F CB 2.791 41.555 39.000 -0.394 0.000 1.208 185 F HN 0.448 nan 8.300 nan 0.000 0.453 186 K N 1.524 122.086 120.400 0.271 0.000 2.182 186 K HA 0.426 4.747 4.320 0.002 0.000 0.262 186 K C -1.760 174.975 176.600 0.224 0.000 0.957 186 K CA -0.517 55.938 56.287 0.280 0.000 0.842 186 K CB 1.398 34.064 32.500 0.277 0.000 1.099 186 K HN 0.657 nan 8.250 nan 0.000 0.438 187 D N 3.448 123.929 120.400 0.134 0.000 2.389 187 D HA 0.325 4.966 4.640 0.002 0.000 0.256 187 D C 0.501 176.796 176.300 -0.008 0.000 1.239 187 D CA 0.690 54.681 54.000 -0.015 0.000 0.925 187 D CB 0.880 41.592 40.800 -0.147 0.000 1.145 187 D HN 0.827 nan 8.370 nan 0.000 0.542 188 G N 4.434 113.230 108.800 -0.007 0.000 2.629 188 G HA2 -0.329 3.632 3.960 0.002 0.000 0.313 188 G HA3 -0.329 3.632 3.960 0.002 0.000 0.313 188 G C 0.524 175.438 174.900 0.023 0.000 1.217 188 G CA 0.454 45.553 45.100 -0.002 0.000 0.994 188 G HN 0.540 nan 8.290 nan 0.000 0.549 189 D N 1.327 121.736 120.400 0.015 0.000 2.336 189 D HA 0.327 4.968 4.640 0.002 0.000 0.228 189 D C 0.576 176.900 176.300 0.040 0.000 1.120 189 D CA 0.401 54.415 54.000 0.023 0.000 0.839 189 D CB 0.052 40.857 40.800 0.008 0.000 0.932 189 D HN 0.305 nan 8.370 nan 0.000 0.509 190 L N 0.557 121.812 121.223 0.053 0.000 2.333 190 L HA 0.405 4.746 4.340 0.002 0.000 0.280 190 L C -0.785 176.161 176.870 0.126 0.000 1.004 190 L CA -1.015 53.863 54.840 0.062 0.000 0.820 190 L CB 1.892 43.961 42.059 0.017 0.000 1.247 190 L HN -0.195 nan 8.230 nan 0.000 0.416 191 F N 4.830 124.766 119.950 -0.024 0.000 2.467 191 F HA 0.548 5.076 4.527 0.002 0.000 0.336 191 F C -0.330 175.436 175.800 -0.058 0.000 1.123 191 F CA -0.695 57.285 58.000 -0.033 0.000 0.964 191 F CB 1.636 40.611 39.000 -0.041 0.000 1.136 191 F HN 0.379 nan 8.300 nan 0.000 0.447 192 M N 7.007 126.105 119.600 -0.837 0.000 2.044 192 M HA 0.316 4.797 4.480 0.002 0.000 0.333 192 M C -0.543 175.179 176.300 -0.964 0.000 1.004 192 M CA -0.503 54.398 55.300 -0.666 0.000 0.954 192 M CB 0.673 32.968 32.600 -0.509 0.000 1.468 192 M HN 0.743 nan 8.290 nan 0.000 0.414 193 S N 3.590 118.892 115.700 -0.663 0.000 2.585 193 S HA 0.136 4.607 4.470 0.002 0.000 0.273 193 S C 0.584 175.052 174.600 -0.221 0.000 1.339 193 S CA -0.336 57.616 58.200 -0.414 0.000 1.028 193 S CB 0.470 63.669 63.200 -0.002 0.000 0.906 193 S HN 0.689 nan 8.310 nan 0.000 0.528 194 Y N 0.842 121.126 120.300 -0.025 0.000 2.256 194 Y HA -0.070 4.481 4.550 0.002 0.000 0.288 194 Y C 2.753 178.787 175.900 0.224 0.000 1.155 194 Y CA 1.545 59.731 58.100 0.143 0.000 1.203 194 Y CB -0.503 38.052 38.460 0.157 0.000 0.980 194 Y HN 0.705 nan 8.280 nan 0.000 0.530 195 R N 0.283 120.948 120.500 0.274 0.000 2.075 195 R HA -0.163 4.178 4.340 0.002 0.000 0.232 195 R C 2.516 178.961 176.300 0.241 0.000 1.126 195 R CA 1.644 57.892 56.100 0.247 0.000 0.963 195 R CB -0.313 30.062 30.300 0.125 0.000 0.858 195 R HN 0.441 nan 8.270 nan 0.000 0.435 196 S N 0.188 115.970 115.700 0.136 0.000 2.383 196 S HA -0.202 4.269 4.470 0.002 0.000 0.227 196 S C 2.068 176.731 174.600 0.106 0.000 1.026 196 S CA 1.237 59.491 58.200 0.090 0.000 0.981 196 S CB -0.313 62.901 63.200 0.024 0.000 0.818 196 S HN 0.400 nan 8.310 nan 0.000 0.472 197 M N 0.099 119.783 119.600 0.139 0.000 2.132 197 M HA 0.030 4.511 4.480 0.002 0.000 0.263 197 M C 1.989 178.351 176.300 0.104 0.000 1.065 197 M CA 1.658 57.061 55.300 0.171 0.000 1.122 197 M CB -0.314 32.417 32.600 0.219 0.000 1.365 197 M HN 0.444 nan 8.290 nan 0.000 0.411 198 F N 1.197 121.168 119.950 0.036 0.000 2.095 198 F HA -0.304 4.225 4.527 0.002 0.000 0.298 198 F C 2.319 178.056 175.800 -0.105 0.000 1.104 198 F CA 2.228 60.172 58.000 -0.094 0.000 1.232 198 F CB -0.566 38.447 39.000 0.021 0.000 0.987 198 F HN 0.212 nan 8.300 nan 0.000 0.475 199 Q N 0.771 120.504 119.800 -0.111 0.000 2.124 199 Q HA -0.177 4.164 4.340 0.002 0.000 0.202 199 Q C 1.761 177.621 176.000 -0.232 0.000 0.977 199 Q CA 2.116 57.791 55.803 -0.214 0.000 0.850 199 Q CB -0.631 28.109 28.738 0.003 0.000 0.901 199 Q HN 0.436 nan 8.270 nan 0.000 0.429 200 D N -1.059 119.257 120.400 -0.141 0.000 2.117 200 D HA -0.123 4.518 4.640 0.002 0.000 0.197 200 D C 1.818 177.961 176.300 -0.262 0.000 0.987 200 D CA 1.227 55.144 54.000 -0.139 0.000 0.829 200 D CB -0.088 40.699 40.800 -0.023 0.000 0.961 200 D HN 0.153 nan 8.370 nan 0.000 0.460 201 V N 1.267 120.978 119.914 -0.339 0.000 2.307 201 V HA -0.187 3.934 4.120 0.002 0.000 0.245 201 V C 2.564 178.438 176.094 -0.366 0.000 1.045 201 V CA 1.320 63.400 62.300 -0.367 0.000 1.024 201 V CB -0.268 31.335 31.823 -0.366 0.000 0.651 201 V HN 0.127 nan 8.190 nan 0.000 0.449 202 R N 0.127 120.304 120.500 -0.539 0.000 2.083 202 R HA -0.166 4.175 4.340 0.002 0.000 0.237 202 R C 2.043 178.210 176.300 -0.222 0.000 1.137 202 R CA 1.813 57.634 56.100 -0.464 0.000 0.951 202 R CB -0.823 29.050 30.300 -0.711 0.000 0.851 202 R HN 0.531 nan 8.270 nan 0.000 0.434 203 D N 0.342 120.626 120.400 -0.192 0.000 2.144 203 D HA -0.101 4.540 4.640 0.002 0.000 0.199 203 D C 1.741 178.035 176.300 -0.010 0.000 0.984 203 D CA 1.452 55.411 54.000 -0.068 0.000 0.834 203 D CB -0.168 40.592 40.800 -0.067 0.000 0.955 203 D HN 0.215 nan 8.370 nan 0.000 0.465 204 A N 0.408 123.172 122.820 -0.093 0.000 1.930 204 A HA -0.091 4.230 4.320 0.002 0.000 0.217 204 A C 2.493 180.093 177.584 0.027 0.000 1.175 204 A CA 0.959 52.954 52.037 -0.070 0.000 0.627 204 A CB -0.601 18.276 19.000 -0.207 0.000 0.815 204 A HN 0.134 nan 8.150 nan 0.000 0.443 205 V N 0.702 120.602 119.914 -0.022 0.000 2.295 205 V HA -0.249 3.872 4.120 0.002 0.000 0.246 205 V C 2.195 178.359 176.094 0.117 0.000 1.049 205 V CA 2.316 64.640 62.300 0.040 0.000 1.024 205 V CB -0.858 30.978 31.823 0.023 0.000 0.648 205 V HN 0.472 nan 8.190 nan 0.000 0.447 206 D N -1.234 119.228 120.400 0.104 0.000 2.123 206 D HA -0.230 4.411 4.640 0.002 0.000 0.196 206 D C 1.696 178.120 176.300 0.206 0.000 0.992 206 D CA 1.496 55.606 54.000 0.185 0.000 0.833 206 D CB -0.331 40.594 40.800 0.208 0.000 0.954 206 D HN 0.646 nan 8.370 nan 0.000 0.455 207 W N 1.726 123.031 121.300 0.009 0.000 2.335 207 W HA -0.247 4.414 4.660 0.000 0.000 0.311 207 W C 2.318 178.782 176.519 -0.092 0.000 1.213 207 W CA 2.611 59.946 57.345 -0.016 0.000 1.274 207 W CB -0.270 29.161 29.460 -0.048 0.000 1.148 207 W HN -0.054 nan 8.180 nan 0.000 0.498 208 V N -1.784 118.218 119.914 0.147 0.000 2.407 208 V HA -0.292 3.829 4.120 0.002 0.000 0.248 208 V C 1.871 177.690 176.094 -0.459 0.000 1.055 208 V CA 2.468 64.688 62.300 -0.134 0.000 1.049 208 V CB -1.412 30.341 31.823 -0.117 0.000 0.662 208 V HN 0.268 nan 8.190 nan 0.000 0.455 209 H N -1.198 117.580 119.070 -0.486 0.000 2.462 209 H HA 0.119 4.676 4.556 0.002 0.000 0.292 209 H C 1.804 176.580 175.328 -0.920 0.000 1.049 209 H CA 2.351 57.915 56.048 -0.807 0.000 1.334 209 H CB -0.083 28.991 29.762 -1.147 0.000 1.404 209 H HN 0.602 nan 8.280 nan 0.000 0.544 210 Y N -1.311 118.858 120.300 -0.219 0.000 2.535 210 Y HA 0.216 4.767 4.550 0.001 0.000 0.264 210 Y C 1.693 177.372 175.900 -0.368 0.000 1.087 210 Y CA 0.052 58.004 58.100 -0.247 0.000 1.285 210 Y CB 0.818 39.180 38.460 -0.163 0.000 1.200 210 Y HN -0.084 nan 8.280 nan 0.000 0.514 211 K N -0.601 119.474 120.400 -0.542 0.000 2.474 211 K HA 0.239 4.559 4.320 0.002 0.000 0.204 211 K C 1.103 177.062 176.600 -1.068 0.000 1.220 211 K CA 0.308 56.119 56.287 -0.794 0.000 0.966 211 K CB 0.930 32.795 32.500 -1.058 0.000 1.049 211 K HN 0.176 nan 8.250 nan 0.000 0.554 212 G N 0.776 108.825 108.800 -1.252 0.000 2.574 212 G HA2 0.035 3.996 3.960 0.002 0.000 0.248 212 G HA3 0.035 3.996 3.960 0.002 0.000 0.248 212 G C 0.557 175.194 174.900 -0.437 0.000 1.422 212 G CA -0.102 44.427 45.100 -0.951 0.000 1.051 212 G HN 0.124 nan 8.290 nan 0.000 0.560 213 S N -1.019 114.523 115.700 -0.265 0.000 2.557 213 S HA 0.075 4.546 4.470 0.002 0.000 0.223 213 S C 1.893 176.366 174.600 -0.212 0.000 0.969 213 S CA 0.025 58.114 58.200 -0.185 0.000 0.927 213 S CB 0.221 63.361 63.200 -0.100 0.000 0.806 213 S HN 0.327 nan 8.310 nan 0.000 0.489 214 L N 2.205 123.243 121.223 -0.307 0.000 2.017 214 L HA 0.121 4.462 4.340 0.002 0.000 0.208 214 L C 2.198 178.902 176.870 -0.277 0.000 1.073 214 L CA 1.827 56.446 54.840 -0.367 0.000 0.745 214 L CB -0.763 40.939 42.059 -0.595 0.000 0.894 214 L HN 0.194 nan 8.230 nan 0.000 0.432 215 K N -0.601 119.640 120.400 -0.265 0.000 2.057 215 K HA -0.224 4.097 4.320 0.002 0.000 0.207 215 K C 2.066 178.656 176.600 -0.015 0.000 1.049 215 K CA 1.611 57.816 56.287 -0.137 0.000 0.931 215 K CB -0.195 32.160 32.500 -0.242 0.000 0.714 215 K HN 0.481 nan 8.250 nan 0.000 0.440 216 E N 1.525 121.688 120.200 -0.063 0.000 2.058 216 E HA -0.228 4.123 4.350 0.002 0.000 0.194 216 E C 1.665 178.256 176.600 -0.015 0.000 0.997 216 E CA 1.473 57.858 56.400 -0.025 0.000 0.801 216 E CB 0.172 29.845 29.700 -0.046 0.000 0.746 216 E HN 0.177 nan 8.360 nan 0.000 0.450 217 K N -0.374 119.994 120.400 -0.053 0.000 2.097 217 K HA -0.078 4.243 4.320 0.002 0.000 0.205 217 K C 2.226 178.821 176.600 -0.009 0.000 1.050 217 K CA 1.609 57.877 56.287 -0.032 0.000 0.938 217 K CB -0.070 32.380 32.500 -0.085 0.000 0.718 217 K HN 0.139 nan 8.250 nan 0.000 0.442 218 T N 1.129 115.638 114.554 -0.074 0.000 2.674 218 T HA -0.117 4.234 4.350 0.002 0.000 0.265 218 T C 2.001 176.770 174.700 0.114 0.000 1.039 218 T CA 1.705 63.806 62.100 0.002 0.000 1.150 218 T CB -0.243 68.690 68.868 0.108 0.000 0.864 218 T HN 0.217 nan 8.240 nan 0.000 0.427 219 V N 1.613 121.574 119.914 0.078 0.000 3.217 219 V HA 0.036 4.157 4.120 0.002 0.000 0.264 219 V C 2.086 178.185 176.094 0.008 0.000 1.135 219 V CA 1.596 63.908 62.300 0.020 0.000 1.142 219 V CB -0.907 30.935 31.823 0.031 0.000 0.754 219 V HN 0.697 nan 8.190 nan 0.000 0.484 220 E N 0.628 120.852 120.200 0.041 0.000 2.435 220 E HA -0.069 4.282 4.350 0.002 0.000 0.195 220 E C 0.818 177.442 176.600 0.041 0.000 1.029 220 E CA 0.719 57.140 56.400 0.035 0.000 0.865 220 E CB -0.105 29.617 29.700 0.038 0.000 0.833 220 E HN 0.576 nan 8.360 nan 0.000 0.510 221 N N 0.598 119.345 118.700 0.079 0.000 2.697 221 N HA 0.148 4.889 4.740 0.002 0.000 0.253 221 N C 0.120 175.634 175.510 0.006 0.000 1.604 221 N CA -0.157 52.917 53.050 0.041 0.000 0.772 221 N CB 0.554 39.070 38.487 0.047 0.000 1.267 221 N HN 0.112 nan 8.380 nan 0.000 0.510 222 L N 0.378 121.505 121.223 -0.159 0.000 2.083 222 L HA -0.090 4.251 4.340 0.002 0.000 0.209 222 L C 1.565 178.182 176.870 -0.422 0.000 1.083 222 L CA 1.217 55.774 54.840 -0.472 0.000 0.752 222 L CB 0.077 41.489 42.059 -1.080 0.000 0.899 222 L HN 0.279 nan 8.230 nan 0.000 0.433 223 E N -0.012 120.077 120.200 -0.186 0.000 2.153 223 E HA -0.232 4.119 4.350 0.002 0.000 0.194 223 E C 2.084 178.630 176.600 -0.090 0.000 0.988 223 E CA 0.953 57.343 56.400 -0.018 0.000 0.811 223 E CB -0.089 29.624 29.700 0.022 0.000 0.746 223 E HN 0.293 nan 8.360 nan 0.000 0.466 224 K N -0.606 119.670 120.400 -0.207 0.000 2.148 224 K HA -0.114 4.207 4.320 0.002 0.000 0.204 224 K C 0.857 177.210 176.600 -0.413 0.000 1.050 224 K CA 1.105 57.157 56.287 -0.392 0.000 0.942 224 K CB 0.080 32.169 32.500 -0.684 0.000 0.724 224 K HN 0.175 nan 8.250 nan 0.000 0.446 225 Y N -0.737 119.564 120.300 0.003 0.000 2.442 225 Y HA 0.230 4.780 4.550 0.001 0.000 0.250 225 Y C -0.229 175.677 175.900 0.011 0.000 1.113 225 Y CA -0.427 57.717 58.100 0.074 0.000 1.273 225 Y CB 1.268 39.828 38.460 0.166 0.000 1.138 225 Y HN -0.277 nan 8.280 nan 0.000 0.522 226 V N 0.726 120.659 119.914 0.033 0.000 2.577 226 V HA 0.310 4.431 4.120 0.002 0.000 0.303 226 V C -0.280 175.860 176.094 0.077 0.000 1.042 226 V CA -1.497 60.760 62.300 -0.071 0.000 0.872 226 V CB 1.973 33.683 31.823 -0.187 0.000 0.998 226 V HN -0.264 nan 8.190 nan 0.000 0.423 227 V N 4.386 124.309 119.914 0.015 0.000 2.655 227 V HA 0.222 4.343 4.120 0.002 0.000 0.300 227 V C 0.266 176.398 176.094 0.063 0.000 1.044 227 V CA 0.134 62.467 62.300 0.055 0.000 1.095 227 V CB 1.054 32.907 31.823 0.050 0.000 0.952 227 V HN 0.870 nan 8.190 nan 0.000 0.485 228 K N 3.103 123.523 120.400 0.035 0.000 2.324 228 K HA 0.527 4.848 4.320 0.002 0.000 0.253 228 K C -1.558 175.082 176.600 0.067 0.000 0.932 228 K CA -0.651 55.601 56.287 -0.058 0.000 0.799 228 K CB 1.592 33.922 32.500 -0.283 0.000 1.154 228 K HN 0.736 nan 8.250 nan 0.000 0.425 229 D N 2.603 123.071 120.400 0.114 0.000 2.602 229 D HA 0.246 4.887 4.640 0.002 0.000 0.245 229 D C 0.631 176.837 176.300 -0.156 0.000 1.325 229 D CA -0.429 53.584 54.000 0.021 0.000 0.952 229 D CB 1.592 42.363 40.800 -0.049 0.000 1.317 229 D HN 0.707 nan 8.370 nan 0.000 0.577 230 G N 2.798 111.324 108.800 -0.457 0.000 2.535 230 G HA2 -0.216 3.745 3.960 0.002 0.000 0.218 230 G HA3 -0.216 3.745 3.960 0.002 0.000 0.218 230 G C 1.153 175.754 174.900 -0.498 0.000 1.122 230 G CA 0.448 44.907 45.100 -1.069 0.000 0.769 230 G HN 0.455 nan 8.290 nan 0.000 0.549 231 K N -0.517 119.699 120.400 -0.306 0.000 2.432 231 K HA 0.117 4.438 4.320 0.002 0.000 0.196 231 K C 2.145 178.616 176.600 -0.214 0.000 1.038 231 K CA 0.026 56.180 56.287 -0.222 0.000 0.986 231 K CB -0.030 32.368 32.500 -0.171 0.000 0.782 231 K HN 0.291 nan 8.250 nan 0.000 0.485 232 L N 2.588 123.657 121.223 -0.257 0.000 1.970 232 L HA -0.112 4.229 4.340 0.002 0.000 0.212 232 L C -1.229 175.448 176.870 -0.321 0.000 1.071 232 L CA 1.947 56.640 54.840 -0.245 0.000 0.751 232 L CB -1.008 40.836 42.059 -0.359 0.000 0.889 232 L HN 0.031 nan 8.230 nan 0.000 0.432 233 P HA -0.166 nan 4.420 nan 0.000 0.220 233 P C 2.051 179.332 177.300 -0.032 0.000 1.148 233 P CA 1.081 63.995 63.100 -0.311 0.000 0.803 233 P CB -0.160 31.428 31.700 -0.185 0.000 0.782 234 L N -0.199 120.985 121.223 -0.065 0.000 1.994 234 L HA -0.130 4.211 4.340 0.002 0.000 0.208 234 L C 2.385 179.250 176.870 -0.008 0.000 1.071 234 L CA 1.690 56.515 54.840 -0.026 0.000 0.745 234 L CB -1.761 40.250 42.059 -0.080 0.000 0.892 234 L HN -0.143 nan 8.230 nan 0.000 0.431 235 L N -0.772 120.426 121.223 -0.042 0.000 2.012 235 L HA -0.208 4.133 4.340 0.002 0.000 0.210 235 L C 2.342 179.229 176.870 0.027 0.000 1.073 235 L CA 1.888 56.727 54.840 -0.002 0.000 0.748 235 L CB -0.674 41.387 42.059 0.004 0.000 0.891 235 L HN 0.312 nan 8.230 nan 0.000 0.431 236 L N -0.746 120.471 121.223 -0.010 0.000 2.083 236 L HA -0.189 4.152 4.340 0.002 0.000 0.209 236 L C 2.672 179.585 176.870 0.071 0.000 1.083 236 L CA 1.430 56.262 54.840 -0.013 0.000 0.752 236 L CB -1.027 40.974 42.059 -0.097 0.000 0.899 236 L HN 0.518 nan 8.230 nan 0.000 0.433 237 S N -0.015 115.781 115.700 0.160 0.000 2.382 237 S HA -0.199 4.272 4.470 0.002 0.000 0.228 237 S C 2.051 176.675 174.600 0.040 0.000 1.027 237 S CA 0.831 59.106 58.200 0.125 0.000 0.991 237 S CB -0.364 62.928 63.200 0.154 0.000 0.823 237 S HN 0.385 nan 8.310 nan 0.000 0.469 238 R N 0.556 121.090 120.500 0.056 0.000 2.092 238 R HA 0.162 4.503 4.340 0.002 0.000 0.231 238 R C 2.559 178.774 176.300 -0.141 0.000 1.119 238 R CA 1.651 57.798 56.100 0.078 0.000 0.970 238 R CB -0.462 29.993 30.300 0.259 0.000 0.864 238 R HN 0.452 nan 8.270 nan 0.000 0.440 239 M N 0.252 119.732 119.600 -0.200 0.000 2.159 239 M HA -0.180 4.301 4.480 0.002 0.000 0.263 239 M C 2.153 178.318 176.300 -0.225 0.000 1.063 239 M CA 1.618 56.605 55.300 -0.522 0.000 1.110 239 M CB -0.128 32.135 32.600 -0.563 0.000 1.374 239 M HN -0.030 nan 8.290 nan 0.000 0.411 240 K N 0.309 120.656 120.400 -0.089 0.000 2.283 240 K HA -0.136 4.185 4.320 0.002 0.000 0.202 240 K C 1.592 178.167 176.600 -0.041 0.000 1.048 240 K CA 1.043 57.317 56.287 -0.022 0.000 0.948 240 K CB 0.103 32.594 32.500 -0.015 0.000 0.742 240 K HN 0.368 nan 8.250 nan 0.000 0.458 241 E N -0.365 119.787 120.200 -0.081 0.000 2.150 241 E HA -0.150 4.201 4.350 0.002 0.000 0.193 241 E C 1.610 178.162 176.600 -0.080 0.000 0.985 241 E CA 1.469 57.829 56.400 -0.067 0.000 0.814 241 E CB 0.245 29.915 29.700 -0.050 0.000 0.752 241 E HN 0.265 nan 8.360 nan 0.000 0.466 242 V N -3.996 115.825 119.914 -0.154 0.000 3.605 242 V HA 0.465 4.586 4.120 0.002 0.000 0.284 242 V C 0.646 176.734 176.094 -0.009 0.000 1.386 242 V CA 0.362 62.594 62.300 -0.112 0.000 1.053 242 V CB 0.691 32.368 31.823 -0.243 0.000 0.857 242 V HN 0.145 nan 8.190 nan 0.000 0.436 243 G N -0.196 108.633 108.800 0.048 0.000 2.570 243 G HA2 0.474 4.435 3.960 0.002 0.000 0.310 243 G HA3 0.474 4.435 3.960 0.002 0.000 0.310 243 G C -1.655 173.332 174.900 0.145 0.000 1.266 243 G CA -0.997 44.169 45.100 0.109 0.000 0.825 243 G HN 0.177 nan 8.290 nan 0.000 0.483 244 K N -0.780 119.724 120.400 0.174 0.000 2.118 244 K HA 0.716 5.037 4.320 0.002 0.000 0.254 244 K C -1.019 175.787 176.600 0.343 0.000 0.961 244 K CA -0.659 55.757 56.287 0.215 0.000 0.876 244 K CB 2.424 35.034 32.500 0.184 0.000 1.077 244 K HN 0.220 nan 8.250 nan 0.000 0.440 245 V N 3.334 123.458 119.914 0.350 0.000 2.588 245 V HA 0.518 4.639 4.120 0.002 0.000 0.304 245 V C -0.956 175.506 176.094 0.613 0.000 1.042 245 V CA -0.859 61.689 62.300 0.412 0.000 0.877 245 V CB 0.816 32.755 31.823 0.193 0.000 0.996 245 V HN 0.725 nan 8.190 nan 0.000 0.425 246 F N 3.845 124.149 119.950 0.589 0.000 2.613 246 F HA 0.928 5.456 4.527 0.001 0.000 0.314 246 F C -1.442 174.767 175.800 0.682 0.000 1.075 246 F CA -1.479 56.892 58.000 0.619 0.000 0.945 246 F CB 1.777 41.015 39.000 0.396 0.000 1.310 246 F HN 0.384 nan 8.300 nan 0.000 0.467 247 L N 2.809 124.375 121.223 0.572 0.000 2.322 247 L HA 0.884 5.225 4.340 0.002 0.000 0.281 247 L C -0.990 176.134 176.870 0.423 0.000 1.014 247 L CA -0.742 54.256 54.840 0.263 0.000 0.815 247 L CB 1.464 43.364 42.059 -0.264 0.000 1.247 247 L HN 1.004 nan 8.230 nan 0.000 0.421 248 A N 3.223 126.299 122.820 0.427 0.000 2.522 248 A HA 0.663 4.984 4.320 0.002 0.000 0.285 248 A C -0.619 177.053 177.584 0.146 0.000 1.198 248 A CA -0.358 51.830 52.037 0.252 0.000 0.742 248 A CB 1.103 20.262 19.000 0.265 0.000 1.176 248 A HN 0.622 nan 8.150 nan 0.000 0.444 249 T N 0.617 115.204 114.554 0.055 0.000 2.893 249 T HA 0.369 4.720 4.350 0.002 0.000 0.291 249 T C 0.477 175.197 174.700 0.032 0.000 1.028 249 T CA -0.525 61.624 62.100 0.082 0.000 0.995 249 T CB 0.959 69.883 68.868 0.094 0.000 1.051 249 T HN 0.404 nan 8.240 nan 0.000 0.470 250 N N 1.501 120.242 118.700 0.069 0.000 2.457 250 N HA 0.032 4.773 4.740 0.002 0.000 0.180 250 N C 0.849 176.410 175.510 0.084 0.000 1.050 250 N CA 0.385 53.467 53.050 0.053 0.000 0.906 250 N CB -0.164 38.373 38.487 0.082 0.000 0.968 250 N HN 0.745 nan 8.380 nan 0.000 0.445 251 S N 0.887 116.668 115.700 0.134 0.000 2.584 251 S HA 0.125 4.596 4.470 0.002 0.000 0.270 251 S C 0.101 174.790 174.600 0.149 0.000 1.346 251 S CA -0.884 57.421 58.200 0.175 0.000 1.018 251 S CB 0.817 64.180 63.200 0.271 0.000 0.899 251 S HN 0.299 nan 8.310 nan 0.000 0.542 252 D N -0.188 120.311 120.400 0.165 0.000 2.383 252 D HA 0.100 4.741 4.640 0.002 0.000 0.248 252 D C 0.729 177.143 176.300 0.190 0.000 1.170 252 D CA -0.725 53.372 54.000 0.161 0.000 0.977 252 D CB -0.004 40.877 40.800 0.135 0.000 1.120 252 D HN 0.515 nan 8.370 nan 0.000 0.481 253 Y N 0.337 120.698 120.300 0.102 0.000 2.145 253 Y HA -0.132 4.419 4.550 0.001 0.000 0.286 253 Y C 2.029 178.005 175.900 0.127 0.000 1.145 253 Y CA 1.894 60.062 58.100 0.113 0.000 1.148 253 Y CB -0.017 38.496 38.460 0.089 0.000 0.981 253 Y HN 0.339 nan 8.280 nan 0.000 0.507 254 K N -1.352 119.105 120.400 0.095 0.000 2.057 254 K HA -0.250 4.071 4.320 0.002 0.000 0.207 254 K C 2.027 178.623 176.600 -0.006 0.000 1.049 254 K CA 1.834 58.137 56.287 0.027 0.000 0.931 254 K CB -0.593 31.975 32.500 0.113 0.000 0.714 254 K HN 0.387 nan 8.250 nan 0.000 0.440 255 Y N 1.939 122.204 120.300 -0.058 0.000 2.220 255 Y HA -0.185 4.366 4.550 0.001 0.000 0.291 255 Y C 2.252 178.080 175.900 -0.119 0.000 1.129 255 Y CA 1.509 59.576 58.100 -0.055 0.000 1.161 255 Y CB -0.402 38.057 38.460 -0.001 0.000 0.997 255 Y HN -0.024 nan 8.280 nan 0.000 0.522 256 T N -0.020 114.444 114.554 -0.150 0.000 2.684 256 T HA -0.228 4.123 4.350 0.002 0.000 0.267 256 T C 1.492 175.859 174.700 -0.556 0.000 1.036 256 T CA 1.788 63.684 62.100 -0.339 0.000 1.148 256 T CB -0.488 68.254 68.868 -0.210 0.000 0.863 256 T HN 0.389 nan 8.240 nan 0.000 0.436 257 D N 0.803 120.919 120.400 -0.473 0.000 2.117 257 D HA -0.069 4.572 4.640 0.002 0.000 0.197 257 D C 2.157 178.323 176.300 -0.224 0.000 0.987 257 D CA 1.184 55.020 54.000 -0.274 0.000 0.829 257 D CB -0.069 40.544 40.800 -0.311 0.000 0.961 257 D HN 0.314 nan 8.370 nan 0.000 0.460 258 K N -0.159 120.096 120.400 -0.241 0.000 2.026 258 K HA -0.096 4.225 4.320 0.002 0.000 0.208 258 K C 2.139 178.590 176.600 -0.249 0.000 1.048 258 K CA 0.829 57.002 56.287 -0.190 0.000 0.929 258 K CB 0.038 32.435 32.500 -0.171 0.000 0.713 258 K HN 0.207 nan 8.250 nan 0.000 0.439 259 I N 1.050 121.359 120.570 -0.435 0.000 2.233 259 I HA -0.208 3.963 4.170 0.002 0.000 0.243 259 I C 2.337 178.282 176.117 -0.286 0.000 1.093 259 I CA 1.319 62.393 61.300 -0.377 0.000 1.380 259 I CB -0.828 36.855 38.000 -0.529 0.000 1.067 259 I HN 0.227 nan 8.210 nan 0.000 0.413 260 M N 0.181 119.455 119.600 -0.544 0.000 2.117 260 M HA -0.157 4.324 4.480 0.002 0.000 0.262 260 M C 2.316 178.446 176.300 -0.283 0.000 1.065 260 M CA 1.589 56.488 55.300 -0.668 0.000 1.114 260 M CB -1.743 29.752 32.600 -1.843 0.000 1.361 260 M HN 0.216 nan 8.290 nan 0.000 0.408 261 T N -0.069 114.365 114.554 -0.200 0.000 2.684 261 T HA -0.211 4.140 4.350 0.002 0.000 0.267 261 T C 1.685 176.481 174.700 0.160 0.000 1.036 261 T CA 1.586 63.790 62.100 0.174 0.000 1.148 261 T CB -0.578 68.403 68.868 0.189 0.000 0.863 261 T HN 0.397 nan 8.240 nan 0.000 0.436 262 Y N 1.815 122.080 120.300 -0.058 0.000 2.165 262 Y HA -0.072 4.479 4.550 0.002 0.000 0.286 262 Y C 1.957 177.783 175.900 -0.124 0.000 1.155 262 Y CA 1.119 59.156 58.100 -0.105 0.000 1.164 262 Y CB -0.551 37.827 38.460 -0.137 0.000 0.978 262 Y HN 0.134 nan 8.280 nan 0.000 0.513 263 L N -1.240 119.916 121.223 -0.111 0.000 2.265 263 L HA -0.186 4.155 4.340 0.002 0.000 0.215 263 L C 1.238 177.953 176.870 -0.258 0.000 1.117 263 L CA 1.120 55.820 54.840 -0.234 0.000 0.782 263 L CB -0.461 41.516 42.059 -0.137 0.000 0.914 263 L HN 0.212 nan 8.230 nan 0.000 0.441 264 F N -1.404 118.509 119.950 -0.062 0.000 2.653 264 F HA 0.094 4.621 4.527 0.001 0.000 0.304 264 F C 0.773 176.651 175.800 0.129 0.000 1.092 264 F CA -0.605 57.467 58.000 0.120 0.000 1.279 264 F CB 0.170 39.268 39.000 0.164 0.000 1.044 264 F HN -0.093 nan 8.300 nan 0.000 0.564 265 D N 1.199 121.496 120.400 -0.172 0.000 2.508 265 D HA 0.125 4.766 4.640 0.002 0.000 0.224 265 D C -0.780 175.067 176.300 -0.755 0.000 1.171 265 D CA 0.505 54.312 54.000 -0.320 0.000 1.006 265 D CB -0.461 40.150 40.800 -0.315 0.000 1.073 265 D HN -0.042 nan 8.370 nan 0.000 0.513 266 F N 1.804 121.683 119.950 -0.117 0.000 2.603 266 F HA 0.396 4.924 4.527 0.002 0.000 0.317 266 F C -1.465 174.221 175.800 -0.190 0.000 1.066 266 F CA -2.141 55.701 58.000 -0.264 0.000 0.941 266 F CB 1.815 40.432 39.000 -0.639 0.000 1.291 266 F HN 0.017 nan 8.300 nan 0.000 0.472 267 P HA 0.072 nan 4.420 nan 0.000 0.259 267 P C -1.137 176.281 177.300 0.196 0.000 1.480 267 P CA 0.622 63.771 63.100 0.083 0.000 0.842 267 P CB -0.663 31.092 31.700 0.091 0.000 1.513 268 H N -4.528 114.701 119.070 0.265 0.000 2.981 268 H HA 0.658 5.215 4.556 0.002 0.000 0.327 268 H C 0.192 175.676 175.328 0.260 0.000 1.342 268 H CA -0.870 55.302 56.048 0.207 0.000 1.123 268 H CB 0.304 30.128 29.762 0.104 0.000 1.851 268 H HN -0.101 nan 8.280 nan 0.000 0.531 269 G N -0.487 108.557 108.800 0.407 0.000 3.086 269 G HA2 0.261 4.222 3.960 0.002 0.000 0.159 269 G HA3 0.261 4.222 3.960 0.002 0.000 0.159 269 G C -1.411 173.729 174.900 0.399 0.000 1.654 269 G CA -0.969 44.334 45.100 0.339 0.000 1.078 269 G HN 0.536 nan 8.290 nan 0.000 0.558 270 P HA -0.022 nan 4.420 nan 0.000 0.216 270 P C 0.294 177.611 177.300 0.028 0.000 1.153 270 P CA 1.463 64.670 63.100 0.179 0.000 0.858 270 P CB 0.147 31.937 31.700 0.149 0.000 0.789 271 K N -1.990 118.384 120.400 -0.045 0.000 2.385 271 K HA 0.425 4.746 4.320 0.002 0.000 0.248 271 K C -2.776 173.561 176.600 -0.439 0.000 0.955 271 K CA -2.823 53.315 56.287 -0.247 0.000 0.816 271 K CB 1.445 33.865 32.500 -0.134 0.000 1.250 271 K HN -0.282 nan 8.250 nan 0.000 0.434 272 P HA -0.092 nan 4.420 nan 0.000 0.263 272 P C 0.560 177.773 177.300 -0.144 0.000 1.175 272 P CA 1.232 64.067 63.100 -0.442 0.000 0.761 272 P CB 0.462 31.979 31.700 -0.304 0.000 0.794 273 G N 1.546 110.334 108.800 -0.020 0.000 2.258 273 G HA2 -0.231 3.730 3.960 0.002 0.000 0.233 273 G HA3 -0.231 3.730 3.960 0.002 0.000 0.233 273 G C 0.316 175.242 174.900 0.044 0.000 1.006 273 G CA 0.257 45.365 45.100 0.014 0.000 0.620 273 G HN 0.813 nan 8.290 nan 0.000 0.511 274 S N 0.348 116.085 115.700 0.061 0.000 2.616 274 S HA 0.725 5.196 4.470 0.002 0.000 0.277 274 S C 0.407 175.089 174.600 0.136 0.000 1.234 274 S CA 0.487 58.736 58.200 0.081 0.000 1.028 274 S CB 1.880 65.123 63.200 0.072 0.000 0.988 274 S HN 0.863 nan 8.310 nan 0.000 0.522 275 S N 2.503 118.268 115.700 0.109 0.000 2.549 275 S HA 0.036 4.507 4.470 0.002 0.000 0.286 275 S C 0.364 175.072 174.600 0.180 0.000 1.314 275 S CA -0.299 57.981 58.200 0.132 0.000 1.062 275 S CB -0.253 62.999 63.200 0.087 0.000 0.865 275 S HN 0.786 nan 8.310 nan 0.000 0.498 276 H N 3.771 122.918 119.070 0.129 0.000 2.848 276 H HA 0.157 4.715 4.556 0.002 0.000 0.341 276 H C 0.062 175.472 175.328 0.136 0.000 1.060 276 H CA 0.311 56.455 56.048 0.159 0.000 1.444 276 H CB 0.347 30.186 29.762 0.129 0.000 1.446 276 H HN 0.560 nan 8.280 nan 0.000 0.583 277 R N 5.020 125.312 120.500 -0.346 0.000 2.803 277 R HA 0.389 4.730 4.340 0.002 0.000 0.276 277 R C -2.580 173.566 176.300 -0.257 0.000 0.978 277 R CA -2.083 53.901 56.100 -0.193 0.000 0.939 277 R CB 1.608 31.789 30.300 -0.200 0.000 1.179 277 R HN 0.515 nan 8.270 nan 0.000 0.472 278 P HA -0.064 nan 4.420 nan 0.000 0.274 278 P C 0.693 177.936 177.300 -0.096 0.000 1.231 278 P CA -0.452 62.629 63.100 -0.030 0.000 0.790 278 P CB 0.530 32.180 31.700 -0.083 0.000 0.951 279 W N 2.945 124.103 121.300 -0.236 0.000 2.325 279 W HA -0.223 4.438 4.660 0.001 0.000 0.299 279 W C 0.827 177.285 176.519 -0.101 0.000 1.215 279 W CA 0.959 57.928 57.345 -0.628 0.000 1.244 279 W CB -1.718 27.338 29.460 -0.673 0.000 1.140 279 W HN 0.288 nan 8.180 nan 0.000 0.523 280 Q N 1.741 121.113 119.800 -0.712 0.000 2.226 280 Q HA -0.173 4.168 4.340 0.002 0.000 0.204 280 Q C 2.574 178.508 176.000 -0.110 0.000 0.975 280 Q CA 2.848 58.289 55.803 -0.603 0.000 0.866 280 Q CB -0.708 27.513 28.738 -0.862 0.000 0.915 280 Q HN 0.441 nan 8.270 nan 0.000 0.440 281 S N -1.057 114.554 115.700 -0.149 0.000 2.507 281 S HA -0.123 4.348 4.470 0.002 0.000 0.235 281 S C 1.219 175.677 174.600 -0.237 0.000 0.988 281 S CA 0.496 58.588 58.200 -0.181 0.000 0.944 281 S CB -0.298 62.736 63.200 -0.278 0.000 0.762 281 S HN 0.430 nan 8.310 nan 0.000 0.526 282 Y N 0.493 120.710 120.300 -0.139 0.000 2.490 282 Y HA 0.428 4.979 4.550 0.001 0.000 0.281 282 Y C -0.022 175.555 175.900 -0.537 0.000 1.174 282 Y CA -0.490 57.417 58.100 -0.321 0.000 1.295 282 Y CB 0.002 38.210 38.460 -0.419 0.000 1.062 282 Y HN 0.218 nan 8.280 nan 0.000 0.522 283 F N -0.216 119.831 119.950 0.162 0.000 2.507 283 F HA 0.275 4.803 4.527 0.002 0.000 0.325 283 F C 0.800 176.690 175.800 0.149 0.000 1.116 283 F CA -1.334 56.785 58.000 0.199 0.000 0.930 283 F CB 1.257 40.403 39.000 0.243 0.000 1.146 283 F HN -0.088 nan 8.300 nan 0.000 0.447 284 D N 2.071 122.673 120.400 0.336 0.000 2.277 284 D HA 0.029 4.670 4.640 0.002 0.000 0.208 284 D C 0.031 176.500 176.300 0.282 0.000 0.962 284 D CA 1.181 55.336 54.000 0.257 0.000 0.865 284 D CB 0.892 41.829 40.800 0.228 0.000 0.939 284 D HN 0.281 nan 8.370 nan 0.000 0.510 285 L N 0.675 122.135 121.223 0.396 0.000 2.526 285 L HA 0.389 4.730 4.340 0.002 0.000 0.263 285 L C -1.818 175.300 176.870 0.413 0.000 0.943 285 L CA -0.496 54.569 54.840 0.375 0.000 0.859 285 L CB 2.293 44.552 42.059 0.333 0.000 1.313 285 L HN -0.282 nan 8.230 nan 0.000 0.406 286 I N 5.768 126.520 120.570 0.304 0.000 2.418 286 I HA 0.474 4.645 4.170 0.002 0.000 0.287 286 I C -1.093 175.189 176.117 0.276 0.000 1.008 286 I CA -0.494 60.948 61.300 0.237 0.000 1.104 286 I CB 2.027 40.117 38.000 0.151 0.000 1.264 286 I HN 0.464 nan 8.210 nan 0.000 0.438 287 L N 8.367 129.751 121.223 0.267 0.000 2.406 287 L HA 0.703 5.044 4.340 0.002 0.000 0.272 287 L C -0.672 176.291 176.870 0.154 0.000 0.980 287 L CA -0.544 54.442 54.840 0.243 0.000 0.831 287 L CB 1.668 43.873 42.059 0.244 0.000 1.253 287 L HN 0.487 nan 8.230 nan 0.000 0.406 288 V N 0.308 120.313 119.914 0.152 0.000 3.234 288 V HA 0.634 4.755 4.120 0.002 0.000 0.317 288 V C -0.245 175.896 176.094 0.078 0.000 1.147 288 V CA -0.553 61.822 62.300 0.125 0.000 1.037 288 V CB 1.626 33.569 31.823 0.200 0.000 1.148 288 V HN 0.871 nan 8.190 nan 0.000 0.455 289 D N -0.206 120.232 120.400 0.064 0.000 2.701 289 D HA -0.236 4.405 4.640 0.002 0.000 0.235 289 D C 1.268 177.565 176.300 -0.005 0.000 1.155 289 D CA 1.092 55.112 54.000 0.032 0.000 0.649 289 D CB -1.043 39.783 40.800 0.045 0.000 1.050 289 D HN 1.158 nan 8.370 nan 0.000 0.425 290 A N 0.603 123.375 122.820 -0.080 0.000 2.015 290 A HA -0.148 4.173 4.320 0.002 0.000 0.219 290 A C 1.388 178.901 177.584 -0.118 0.000 1.163 290 A CA 1.243 53.136 52.037 -0.239 0.000 0.646 290 A CB 0.127 18.755 19.000 -0.620 0.000 0.806 290 A HN 0.364 nan 8.150 nan 0.000 0.448 291 R N -0.700 119.760 120.500 -0.066 0.000 3.333 291 R HA -0.134 4.207 4.340 0.002 0.000 0.256 291 R C -0.894 175.397 176.300 -0.016 0.000 1.010 291 R CA 1.013 57.102 56.100 -0.018 0.000 0.680 291 R CB -2.052 28.255 30.300 0.010 0.000 1.102 291 R HN 0.694 nan 8.270 nan 0.000 0.440 292 K N 1.217 121.574 120.400 -0.071 0.000 2.382 292 K HA 0.077 4.398 4.320 0.002 0.000 0.275 292 K C -0.872 175.740 176.600 0.021 0.000 1.009 292 K CA -0.976 55.290 56.287 -0.036 0.000 0.970 292 K CB 0.599 33.091 32.500 -0.014 0.000 0.934 292 K HN 0.019 nan 8.250 nan 0.000 0.479 293 P HA -0.042 nan 4.420 nan 0.000 0.255 293 P C 0.932 178.267 177.300 0.057 0.000 1.248 293 P CA 0.158 63.310 63.100 0.087 0.000 0.807 293 P CB 0.237 31.902 31.700 -0.059 0.000 1.150 294 L N -0.185 121.055 121.223 0.028 0.000 2.081 294 L HA -0.156 4.185 4.340 0.002 0.000 0.212 294 L C 2.187 179.032 176.870 -0.041 0.000 1.080 294 L CA 1.641 56.483 54.840 0.003 0.000 0.754 294 L CB -1.602 40.465 42.059 0.013 0.000 0.893 294 L HN -0.170 nan 8.230 nan 0.000 0.433 295 F N -0.135 119.653 119.950 -0.269 0.000 2.141 295 F HA -0.316 4.212 4.527 0.002 0.000 0.300 295 F C 1.714 177.188 175.800 -0.544 0.000 1.079 295 F CA 1.848 59.576 58.000 -0.452 0.000 1.264 295 F CB -0.442 38.148 39.000 -0.683 0.000 1.011 295 F HN 0.155 nan 8.300 nan 0.000 0.487 296 F N -0.415 119.409 119.950 -0.209 0.000 2.797 296 F HA 0.254 4.782 4.527 0.002 0.000 0.302 296 F C 1.773 177.391 175.800 -0.303 0.000 1.130 296 F CA 0.380 58.151 58.000 -0.381 0.000 1.387 296 F CB -0.834 37.934 39.000 -0.385 0.000 1.107 296 F HN -0.006 nan 8.300 nan 0.000 0.577 297 G N 0.268 109.003 108.800 -0.109 0.000 3.441 297 G HA2 0.097 4.058 3.960 0.002 0.000 0.195 297 G HA3 0.097 4.058 3.960 0.002 0.000 0.195 297 G C 1.088 175.908 174.900 -0.133 0.000 1.633 297 G CA 0.166 45.206 45.100 -0.100 0.000 0.895 297 G HN 0.272 nan 8.290 nan 0.000 0.654 298 E N 0.023 120.166 120.200 -0.094 0.000 2.268 298 E HA 0.223 4.574 4.350 0.002 0.000 0.195 298 E C 1.451 177.985 176.600 -0.111 0.000 0.995 298 E CA 0.688 57.034 56.400 -0.090 0.000 0.836 298 E CB -0.327 29.340 29.700 -0.054 0.000 0.763 298 E HN 0.966 nan 8.360 nan 0.000 0.491 299 G N 1.084 109.813 108.800 -0.118 0.000 2.575 299 G HA2 -0.338 3.623 3.960 0.002 0.000 0.267 299 G HA3 -0.338 3.623 3.960 0.002 0.000 0.267 299 G C 0.128 175.004 174.900 -0.039 0.000 1.264 299 G CA 0.828 45.869 45.100 -0.098 0.000 0.935 299 G HN 0.723 nan 8.290 nan 0.000 0.568 300 T N -3.917 110.629 114.554 -0.013 0.000 2.864 300 T HA 0.673 5.024 4.350 0.002 0.000 0.289 300 T C 0.136 174.840 174.700 0.006 0.000 1.082 300 T CA -0.089 62.013 62.100 0.003 0.000 1.009 300 T CB 1.663 70.544 68.868 0.022 0.000 1.234 300 T HN 1.487 nan 8.240 nan 0.000 0.526 301 V N 1.686 121.608 119.914 0.013 0.000 2.694 301 V HA 0.117 4.238 4.120 0.002 0.000 0.306 301 V C 0.520 176.642 176.094 0.046 0.000 1.054 301 V CA -0.294 62.019 62.300 0.022 0.000 1.161 301 V CB 0.311 32.149 31.823 0.025 0.000 0.916 301 V HN 0.790 nan 8.190 nan 0.000 0.490 302 L N 7.983 129.239 121.223 0.055 0.000 2.418 302 L HA 0.346 4.687 4.340 0.002 0.000 0.274 302 L C 0.322 177.285 176.870 0.155 0.000 1.135 302 L CA 0.698 55.598 54.840 0.101 0.000 0.870 302 L CB 0.050 42.165 42.059 0.093 0.000 1.154 302 L HN 0.563 nan 8.230 nan 0.000 0.462 303 R N 3.715 124.310 120.500 0.158 0.000 2.873 303 R HA 0.446 4.787 4.340 0.002 0.000 0.264 303 R C -1.036 175.333 176.300 0.114 0.000 1.026 303 R CA -0.786 55.397 56.100 0.137 0.000 1.002 303 R CB 1.469 31.817 30.300 0.081 0.000 1.174 303 R HN 0.682 nan 8.270 nan 0.000 0.488 304 Q N 1.024 120.837 119.800 0.021 0.000 2.316 304 Q HA 0.379 4.720 4.340 0.002 0.000 0.264 304 Q C -1.048 174.867 176.000 -0.141 0.000 0.987 304 Q CA -0.691 55.012 55.803 -0.167 0.000 0.852 304 Q CB 1.912 30.471 28.738 -0.299 0.000 1.287 304 Q HN 0.329 nan 8.270 nan 0.000 0.448 305 V N 3.616 123.402 119.914 -0.213 0.000 2.530 305 V HA 0.059 4.180 4.120 0.002 0.000 0.282 305 V C 0.038 175.975 176.094 -0.262 0.000 1.048 305 V CA -0.353 61.812 62.300 -0.226 0.000 0.997 305 V CB 1.303 32.918 31.823 -0.347 0.000 0.987 305 V HN 0.778 nan 8.190 nan 0.000 0.477 306 D N 3.664 123.956 120.400 -0.181 0.000 2.393 306 D HA 0.074 4.715 4.640 0.002 0.000 0.232 306 D C 1.366 177.551 176.300 -0.190 0.000 1.192 306 D CA 0.092 53.999 54.000 -0.156 0.000 0.882 306 D CB 1.491 42.243 40.800 -0.079 0.000 1.038 306 D HN 0.739 nan 8.370 nan 0.000 0.499 307 T N 1.090 115.487 114.554 -0.262 0.000 3.055 307 T HA -0.053 4.298 4.350 0.002 0.000 0.265 307 T C 1.514 176.190 174.700 -0.039 0.000 1.111 307 T CA 0.616 62.537 62.100 -0.299 0.000 1.118 307 T CB 0.102 68.748 68.868 -0.370 0.000 0.909 307 T HN 0.293 nan 8.240 nan 0.000 0.501 308 K N 1.266 121.643 120.400 -0.039 0.000 2.062 308 K HA -0.046 4.275 4.320 0.002 0.000 0.205 308 K C 2.702 179.323 176.600 0.035 0.000 1.051 308 K CA 1.823 58.115 56.287 0.008 0.000 0.941 308 K CB -0.292 32.203 32.500 -0.009 0.000 0.719 308 K HN 0.627 nan 8.250 nan 0.000 0.440 309 T N -3.625 110.942 114.554 0.022 0.000 3.037 309 T HA 0.182 4.533 4.350 0.002 0.000 0.252 309 T C 1.461 176.202 174.700 0.069 0.000 1.073 309 T CA 0.602 62.724 62.100 0.038 0.000 1.091 309 T CB 0.581 69.460 68.868 0.018 0.000 0.935 309 T HN 0.334 nan 8.240 nan 0.000 0.488 310 G N 1.551 110.398 108.800 0.079 0.000 2.159 310 G HA2 -0.237 3.724 3.960 0.002 0.000 0.256 310 G HA3 -0.237 3.724 3.960 0.002 0.000 0.256 310 G C -0.050 174.904 174.900 0.090 0.000 0.977 310 G CA 0.321 45.513 45.100 0.154 0.000 0.652 310 G HN 0.697 nan 8.290 nan 0.000 0.531 311 K N -0.253 120.167 120.400 0.035 0.000 2.095 311 K HA 0.695 5.016 4.320 0.002 0.000 0.252 311 K C 0.766 177.363 176.600 -0.005 0.000 0.977 311 K CA -0.860 55.440 56.287 0.022 0.000 0.900 311 K CB 1.222 33.731 32.500 0.015 0.000 1.060 311 K HN 0.146 nan 8.250 nan 0.000 0.449 312 L N 2.373 123.598 121.223 0.003 0.000 2.397 312 L HA 0.184 4.525 4.340 0.002 0.000 0.271 312 L C 0.428 177.295 176.870 -0.006 0.000 1.148 312 L CA -0.300 54.536 54.840 -0.007 0.000 0.825 312 L CB 0.353 42.419 42.059 0.012 0.000 1.117 312 L HN 0.426 nan 8.230 nan 0.000 0.456 313 K N 2.509 122.901 120.400 -0.013 0.000 2.319 313 K HA 0.253 4.574 4.320 0.002 0.000 0.265 313 K C -0.349 176.264 176.600 0.022 0.000 1.000 313 K CA -0.594 55.694 56.287 0.002 0.000 0.943 313 K CB 0.755 33.258 32.500 0.006 0.000 0.950 313 K HN 0.323 nan 8.250 nan 0.000 0.485 314 I N 2.082 122.666 120.570 0.023 0.000 2.496 314 I HA 0.185 4.356 4.170 0.002 0.000 0.285 314 I C 0.985 177.124 176.117 0.037 0.000 1.080 314 I CA 0.788 62.104 61.300 0.026 0.000 1.404 314 I CB -0.357 37.654 38.000 0.019 0.000 1.403 314 I HN 0.882 nan 8.210 nan 0.000 0.539 315 G N 4.739 113.563 108.800 0.040 0.000 2.515 315 G HA2 -0.097 3.864 3.960 0.002 0.000 0.686 315 G HA3 -0.097 3.864 3.960 0.002 0.000 0.686 315 G C -0.519 174.422 174.900 0.067 0.000 1.274 315 G CA -1.054 44.073 45.100 0.045 0.000 0.874 315 G HN 0.581 nan 8.290 nan 0.000 0.631 316 T N 0.913 115.502 114.554 0.059 0.000 2.869 316 T HA 0.436 4.787 4.350 0.002 0.000 0.295 316 T C -0.147 174.620 174.700 0.112 0.000 0.987 316 T CA 0.267 62.414 62.100 0.080 0.000 1.109 316 T CB 1.048 69.941 68.868 0.042 0.000 0.932 316 T HN 0.701 nan 8.240 nan 0.000 0.518 317 Y N 3.096 123.423 120.300 0.045 0.000 2.365 317 Y HA 0.329 4.880 4.550 0.002 0.000 0.340 317 Y C 1.420 177.353 175.900 0.056 0.000 1.016 317 Y CA -0.465 57.673 58.100 0.062 0.000 1.196 317 Y CB 0.693 39.223 38.460 0.117 0.000 1.167 317 Y HN 0.739 nan 8.280 nan 0.000 0.509 318 T N 1.247 115.475 114.554 -0.544 0.000 3.044 318 T HA 0.400 4.751 4.350 0.002 0.000 0.260 318 T C 0.755 175.156 174.700 -0.498 0.000 1.019 318 T CA 0.134 62.007 62.100 -0.377 0.000 0.921 318 T CB -0.201 68.542 68.868 -0.208 0.000 1.053 318 T HN 0.706 nan 8.240 nan 0.000 0.533 319 G N 2.474 110.632 108.800 -1.070 0.000 2.532 319 G HA2 0.661 4.622 3.960 0.002 0.000 0.291 319 G HA3 0.661 4.622 3.960 0.002 0.000 0.291 319 G C -2.516 172.318 174.900 -0.109 0.000 1.349 319 G CA -1.457 43.294 45.100 -0.581 0.000 1.038 319 G HN 0.278 nan 8.290 nan 0.000 0.518 320 P HA 0.344 nan 4.420 nan 0.000 0.281 320 P C -0.783 176.723 177.300 0.342 0.000 1.281 320 P CA -0.848 62.369 63.100 0.194 0.000 0.811 320 P CB 1.228 32.996 31.700 0.114 0.000 1.154 321 L N 1.090 122.476 121.223 0.272 0.000 2.477 321 L HA 0.118 4.459 4.340 0.002 0.000 0.272 321 L C -0.015 176.955 176.870 0.167 0.000 1.157 321 L CA 0.962 55.964 54.840 0.271 0.000 0.889 321 L CB -0.625 41.563 42.059 0.215 0.000 1.158 321 L HN 0.314 nan 8.230 nan 0.000 0.473 322 Q N 2.745 122.610 119.800 0.108 0.000 2.451 322 Q HA 0.341 4.682 4.340 0.002 0.000 0.281 322 Q C -1.139 174.879 176.000 0.031 0.000 1.099 322 Q CA -1.093 54.756 55.803 0.076 0.000 0.806 322 Q CB 1.397 30.174 28.738 0.066 0.000 1.419 322 Q HN 0.638 nan 8.270 nan 0.000 0.427 323 H N -0.016 119.045 119.070 -0.016 0.000 3.070 323 H HA 0.250 4.807 4.556 0.002 0.000 0.313 323 H C 1.182 176.465 175.328 -0.075 0.000 0.997 323 H CA 2.342 58.368 56.048 -0.037 0.000 1.438 323 H CB 0.201 29.943 29.762 -0.033 0.000 1.455 323 H HN 0.856 nan 8.280 nan 0.000 0.575 324 G N 3.912 112.273 108.800 -0.732 0.000 2.199 324 G HA2 -0.299 3.662 3.960 0.002 0.000 0.254 324 G HA3 -0.299 3.662 3.960 0.002 0.000 0.254 324 G C 0.532 175.197 174.900 -0.392 0.000 0.982 324 G CA 0.089 44.830 45.100 -0.598 0.000 0.632 324 G HN 0.788 nan 8.290 nan 0.000 0.529 325 I N 1.372 121.721 120.570 -0.368 0.000 2.692 325 I HA 0.453 4.624 4.170 0.002 0.000 0.284 325 I C 0.149 175.940 176.117 -0.545 0.000 1.159 325 I CA -0.313 60.694 61.300 -0.488 0.000 1.423 325 I CB 0.908 38.548 38.000 -0.600 0.000 1.380 325 I HN -0.032 nan 8.210 nan 0.000 0.580 326 V N 7.712 127.278 119.914 -0.580 0.000 2.531 326 V HA 0.351 4.472 4.120 0.002 0.000 0.301 326 V C -0.880 174.932 176.094 -0.470 0.000 1.034 326 V CA -0.532 61.509 62.300 -0.433 0.000 0.865 326 V CB 1.486 33.104 31.823 -0.342 0.000 0.995 326 V HN 0.499 nan 8.190 nan 0.000 0.424 327 Y N 1.793 122.042 120.300 -0.085 0.000 2.403 327 Y HA 0.686 5.237 4.550 0.002 0.000 0.323 327 Y C 0.706 176.605 175.900 -0.002 0.000 1.226 327 Y CA -0.492 57.571 58.100 -0.062 0.000 1.235 327 Y CB 1.866 40.324 38.460 -0.004 0.000 1.248 327 Y HN 0.578 nan 8.280 nan 0.000 0.489 328 S N 0.467 116.284 115.700 0.196 0.000 2.547 328 S HA 0.668 5.139 4.470 0.002 0.000 0.281 328 S C 0.099 174.776 174.600 0.129 0.000 1.118 328 S CA 0.175 58.454 58.200 0.133 0.000 0.947 328 S CB 0.731 63.981 63.200 0.083 0.000 1.053 328 S HN 1.368 nan 8.310 nan 0.000 0.482 329 G N 3.711 112.578 108.800 0.112 0.000 2.523 329 G HA2 0.218 4.179 3.960 0.002 0.000 0.271 329 G HA3 0.218 4.179 3.960 0.002 0.000 0.271 329 G C 1.192 176.192 174.900 0.167 0.000 1.146 329 G CA 0.530 45.699 45.100 0.115 0.000 0.961 329 G HN 2.494 nan 8.290 nan 0.000 0.549 330 G N -1.425 107.433 108.800 0.097 0.000 2.569 330 G HA2 0.348 4.309 3.960 0.002 0.000 0.259 330 G HA3 0.348 4.309 3.960 0.002 0.000 0.259 330 G C 0.614 175.483 174.900 -0.051 0.000 1.263 330 G CA 2.029 47.146 45.100 0.029 0.000 0.928 330 G HN 3.025 nan 8.290 nan 0.000 0.572 331 S N -2.633 112.885 115.700 -0.304 0.000 2.688 331 S HA 0.745 5.216 4.470 0.002 0.000 0.275 331 S C 1.324 175.150 174.600 -1.290 0.000 1.175 331 S CA 0.767 58.446 58.200 -0.870 0.000 0.818 331 S CB 1.148 64.052 63.200 -0.492 0.000 1.157 331 S HN 2.424 nan 8.310 nan 0.000 0.482 332 S N 0.167 114.913 115.700 -1.590 0.000 2.419 332 S HA -0.135 4.336 4.470 0.002 0.000 0.233 332 S C 0.950 175.406 174.600 -0.239 0.000 1.016 332 S CA 1.544 59.242 58.200 -0.837 0.000 0.974 332 S CB -0.900 61.929 63.200 -0.618 0.000 0.786 332 S HN 0.693 nan 8.310 nan 0.000 0.492 333 D N 1.766 122.008 120.400 -0.265 0.000 2.218 333 D HA -0.033 4.608 4.640 0.002 0.000 0.204 333 D C 1.935 178.158 176.300 -0.129 0.000 0.976 333 D CA 1.479 55.402 54.000 -0.128 0.000 0.853 333 D CB -0.781 39.944 40.800 -0.125 0.000 0.939 333 D HN 0.483 nan 8.370 nan 0.000 0.481 334 T N 1.074 115.515 114.554 -0.188 0.000 2.684 334 T HA -0.111 4.240 4.350 0.002 0.000 0.267 334 T C 2.215 176.818 174.700 -0.161 0.000 1.036 334 T CA 0.678 62.670 62.100 -0.181 0.000 1.148 334 T CB -0.132 68.608 68.868 -0.214 0.000 0.863 334 T HN 0.197 nan 8.240 nan 0.000 0.436 335 I N 0.639 121.128 120.570 -0.135 0.000 2.202 335 I HA -0.175 3.996 4.170 0.002 0.000 0.242 335 I C 2.716 178.734 176.117 -0.165 0.000 1.091 335 I CA 0.860 62.042 61.300 -0.196 0.000 1.368 335 I CB -0.520 37.304 38.000 -0.293 0.000 1.058 335 I HN 0.337 nan 8.210 nan 0.000 0.410 336 C N 0.638 119.894 119.300 -0.072 0.000 2.413 336 C HA -0.210 4.251 4.460 0.002 0.000 0.276 336 C C 2.623 177.582 174.990 -0.052 0.000 1.236 336 C CA 1.383 60.371 59.018 -0.050 0.000 1.735 336 C CB -1.008 26.749 27.740 0.028 0.000 2.031 336 C HN 0.577 nan 8.230 nan 0.000 0.474 337 D N 0.496 120.864 120.400 -0.053 0.000 2.097 337 D HA -0.104 4.537 4.640 0.002 0.000 0.195 337 D C 1.966 178.245 176.300 -0.035 0.000 0.989 337 D CA 1.332 55.306 54.000 -0.043 0.000 0.827 337 D CB -0.291 40.478 40.800 -0.052 0.000 0.966 337 D HN 0.438 nan 8.370 nan 0.000 0.456 338 L N -0.352 120.843 121.223 -0.048 0.000 2.179 338 L HA 0.021 4.362 4.340 0.002 0.000 0.208 338 L C 2.137 179.010 176.870 0.005 0.000 1.096 338 L CA 0.451 55.283 54.840 -0.013 0.000 0.779 338 L CB -0.112 41.936 42.059 -0.018 0.000 0.922 338 L HN 0.140 nan 8.230 nan 0.000 0.443 339 L N -0.544 120.664 121.223 -0.025 0.000 2.607 339 L HA 0.234 4.575 4.340 0.002 0.000 0.228 339 L C 1.156 178.019 176.870 -0.012 0.000 1.123 339 L CA 0.310 55.145 54.840 -0.007 0.000 0.890 339 L CB -0.237 41.803 42.059 -0.031 0.000 1.103 339 L HN 0.415 nan 8.230 nan 0.000 0.468 340 G N 1.214 110.002 108.800 -0.020 0.000 2.272 340 G HA2 -0.179 3.782 3.960 0.002 0.000 0.280 340 G HA3 -0.179 3.782 3.960 0.002 0.000 0.280 340 G C 0.086 174.970 174.900 -0.027 0.000 1.067 340 G CA 0.255 45.345 45.100 -0.016 0.000 0.902 340 G HN 0.509 nan 8.290 nan 0.000 0.500 341 A N -0.867 121.925 122.820 -0.046 0.000 2.380 341 A HA 0.931 5.252 4.320 0.002 0.000 0.315 341 A C -0.054 177.499 177.584 -0.052 0.000 1.101 341 A CA -0.678 51.319 52.037 -0.067 0.000 0.771 341 A CB 1.504 20.433 19.000 -0.118 0.000 1.287 341 A HN 0.230 nan 8.150 nan 0.000 0.436 342 K N 0.200 120.571 120.400 -0.049 0.000 2.185 342 K HA 0.591 4.912 4.320 0.002 0.000 0.240 342 K C 1.462 178.032 176.600 -0.050 0.000 0.983 342 K CA -0.075 56.204 56.287 -0.014 0.000 0.873 342 K CB 1.002 33.504 32.500 0.002 0.000 1.118 342 K HN 0.690 nan 8.250 nan 0.000 0.441 343 G N 0.992 109.818 108.800 0.043 0.000 2.469 343 G HA2 -0.289 3.672 3.960 0.002 0.000 0.219 343 G HA3 -0.289 3.672 3.960 0.002 0.000 0.219 343 G C 0.902 175.778 174.900 -0.040 0.000 1.150 343 G CA 0.988 46.118 45.100 0.050 0.000 0.763 343 G HN 0.536 nan 8.290 nan 0.000 0.561 344 K N 0.232 120.640 120.400 0.013 0.000 2.504 344 K HA 0.023 4.344 4.320 0.002 0.000 0.195 344 K C 1.301 177.876 176.600 -0.043 0.000 1.036 344 K CA 0.710 57.002 56.287 0.009 0.000 0.984 344 K CB 0.203 32.722 32.500 0.032 0.000 0.788 344 K HN 0.162 nan 8.250 nan 0.000 0.488 345 D N 0.326 120.673 120.400 -0.088 0.000 2.355 345 D HA 0.048 4.689 4.640 0.002 0.000 0.218 345 D C 0.201 176.381 176.300 -0.201 0.000 1.004 345 D CA 0.618 54.546 54.000 -0.120 0.000 0.880 345 D CB 0.336 41.070 40.800 -0.110 0.000 0.911 345 D HN 0.165 nan 8.370 nan 0.000 0.528 346 I N 1.237 121.653 120.570 -0.256 0.000 2.404 346 I HA 0.188 4.359 4.170 0.002 0.000 0.293 346 I C -0.664 175.334 176.117 -0.199 0.000 0.992 346 I CA -1.018 60.085 61.300 -0.329 0.000 1.149 346 I CB 2.192 39.758 38.000 -0.722 0.000 1.315 346 I HN -0.256 nan 8.210 nan 0.000 0.446 347 L N 8.123 129.239 121.223 -0.178 0.000 2.276 347 L HA 0.402 4.743 4.340 0.002 0.000 0.286 347 L C -1.246 175.637 176.870 0.020 0.000 1.024 347 L CA -0.280 54.541 54.840 -0.032 0.000 0.826 347 L CB 0.646 42.693 42.059 -0.020 0.000 1.211 347 L HN 0.387 nan 8.230 nan 0.000 0.422 348 Y N 5.621 125.958 120.300 0.061 0.000 2.330 348 Y HA 0.648 5.198 4.550 0.001 0.000 0.336 348 Y C -0.611 175.344 175.900 0.093 0.000 1.036 348 Y CA -0.817 57.349 58.100 0.110 0.000 1.125 348 Y CB 1.107 39.879 38.460 0.520 0.000 1.194 348 Y HN 0.529 nan 8.280 nan 0.000 0.469 349 I N 6.216 126.358 120.570 -0.712 0.000 2.382 349 I HA 0.687 4.858 4.170 0.002 0.000 0.286 349 I C 0.216 176.070 176.117 -0.438 0.000 1.002 349 I CA -0.314 60.722 61.300 -0.439 0.000 1.135 349 I CB 1.340 38.922 38.000 -0.697 0.000 1.288 349 I HN 0.775 nan 8.210 nan 0.000 0.448 350 G N 3.937 112.699 108.800 -0.063 0.000 2.608 350 G HA2 0.272 4.233 3.960 0.002 0.000 0.291 350 G HA3 0.272 4.233 3.960 0.002 0.000 0.291 350 G C -0.582 174.455 174.900 0.229 0.000 1.425 350 G CA -0.397 44.750 45.100 0.078 0.000 0.787 350 G HN 0.573 nan 8.290 nan 0.000 0.484 351 D N -1.884 118.680 120.400 0.273 0.000 2.407 351 D HA 0.024 4.665 4.640 0.002 0.000 0.208 351 D C 0.165 176.627 176.300 0.270 0.000 1.083 351 D CA -0.004 54.152 54.000 0.259 0.000 0.844 351 D CB 0.255 41.197 40.800 0.236 0.000 0.967 351 D HN 0.437 nan 8.370 nan 0.000 0.506 352 H N 0.748 119.963 119.070 0.243 0.000 2.820 352 H HA 0.174 4.731 4.556 0.002 0.000 0.278 352 H C 1.222 176.676 175.328 0.209 0.000 1.142 352 H CA -0.648 55.547 56.048 0.246 0.000 1.346 352 H CB 0.812 30.738 29.762 0.273 0.000 1.438 352 H HN -0.145 nan 8.280 nan 0.000 0.473 353 I N 4.953 125.772 120.570 0.415 0.000 2.335 353 I HA -0.251 3.920 4.170 0.002 0.000 0.251 353 I C 1.269 177.541 176.117 0.259 0.000 1.129 353 I CA 1.434 62.883 61.300 0.248 0.000 1.402 353 I CB -0.477 37.571 38.000 0.080 0.000 1.069 353 I HN 0.615 nan 8.210 nan 0.000 0.424 354 F N 0.395 120.518 119.950 0.288 0.000 2.164 354 F HA 0.221 4.749 4.527 0.001 0.000 0.287 354 F C 2.340 178.081 175.800 -0.098 0.000 1.086 354 F CA 1.459 59.487 58.000 0.046 0.000 1.249 354 F CB -0.949 38.102 39.000 0.084 0.000 1.059 354 F HN 0.011 nan 8.300 nan 0.000 0.490 355 G N -0.883 107.728 108.800 -0.315 0.000 2.494 355 G HA2 -0.105 3.856 3.960 0.002 0.000 0.216 355 G HA3 -0.105 3.856 3.960 0.002 0.000 0.216 355 G C 1.039 175.930 174.900 -0.016 0.000 1.140 355 G CA 0.854 45.744 45.100 -0.351 0.000 0.801 355 G HN 0.322 nan 8.290 nan 0.000 0.536 356 D N -0.126 120.350 120.400 0.127 0.000 2.323 356 D HA 0.103 4.744 4.640 0.002 0.000 0.218 356 D C 2.188 178.571 176.300 0.139 0.000 0.973 356 D CA 0.152 54.351 54.000 0.332 0.000 0.890 356 D CB 0.457 41.539 40.800 0.470 0.000 1.011 356 D HN 0.197 nan 8.370 nan 0.000 0.499 357 I N 0.382 120.979 120.570 0.045 0.000 3.196 357 I HA 0.057 4.228 4.170 0.002 0.000 0.248 357 I C 2.413 178.433 176.117 -0.162 0.000 1.105 357 I CA 0.177 61.487 61.300 0.017 0.000 1.482 357 I CB -1.081 36.976 38.000 0.094 0.000 1.400 357 I HN -0.062 nan 8.210 nan 0.000 0.464 358 L N 1.141 122.204 121.223 -0.267 0.000 2.013 358 L HA -0.223 4.118 4.340 0.002 0.000 0.212 358 L C 2.608 179.120 176.870 -0.597 0.000 1.073 358 L CA 1.783 56.258 54.840 -0.608 0.000 0.753 358 L CB -0.201 41.428 42.059 -0.717 0.000 0.890 358 L HN 0.134 nan 8.230 nan 0.000 0.432 359 K N -0.215 119.810 120.400 -0.625 0.000 2.103 359 K HA -0.067 4.254 4.320 0.002 0.000 0.204 359 K C 2.336 178.477 176.600 -0.765 0.000 1.052 359 K CA 1.388 57.300 56.287 -0.625 0.000 0.945 359 K CB -0.269 31.890 32.500 -0.568 0.000 0.722 359 K HN 0.586 nan 8.250 nan 0.000 0.443 360 S N 1.219 116.263 115.700 -1.094 0.000 2.383 360 S HA -0.145 4.326 4.470 0.002 0.000 0.227 360 S C 2.081 176.339 174.600 -0.570 0.000 1.026 360 S CA 1.203 58.583 58.200 -1.367 0.000 0.981 360 S CB -0.062 62.349 63.200 -1.314 0.000 0.818 360 S HN 0.090 nan 8.310 nan 0.000 0.472 361 K N 1.758 121.976 120.400 -0.304 0.000 2.001 361 K HA 0.050 4.371 4.320 0.002 0.000 0.208 361 K C 2.116 178.658 176.600 -0.097 0.000 1.048 361 K CA 1.664 57.901 56.287 -0.083 0.000 0.932 361 K CB -0.425 32.101 32.500 0.044 0.000 0.715 361 K HN 0.447 nan 8.250 nan 0.000 0.437 362 K N -0.315 119.982 120.400 -0.171 0.000 2.103 362 K HA 0.005 4.326 4.320 0.002 0.000 0.204 362 K C 2.163 178.687 176.600 -0.126 0.000 1.052 362 K CA 0.947 57.166 56.287 -0.113 0.000 0.945 362 K CB 0.004 32.411 32.500 -0.155 0.000 0.722 362 K HN 0.026 nan 8.250 nan 0.000 0.443 363 R N 0.254 120.630 120.500 -0.208 0.000 2.127 363 R HA 0.044 4.385 4.340 0.002 0.000 0.217 363 R C 1.450 177.659 176.300 -0.151 0.000 1.074 363 R CA 0.950 56.948 56.100 -0.170 0.000 0.991 363 R CB 0.241 30.431 30.300 -0.182 0.000 0.895 363 R HN 0.252 nan 8.270 nan 0.000 0.450 364 Q N -1.424 118.252 119.800 -0.206 0.000 2.126 364 Q HA 0.182 4.523 4.340 0.002 0.000 0.233 364 Q C 0.516 176.562 176.000 0.077 0.000 0.788 364 Q CA 0.542 56.269 55.803 -0.127 0.000 0.968 364 Q CB 1.396 29.888 28.738 -0.409 0.000 1.163 364 Q HN 0.424 nan 8.270 nan 0.000 0.471 365 G N 1.331 110.164 108.800 0.055 0.000 2.198 365 G HA2 -0.230 3.731 3.960 0.002 0.000 0.260 365 G HA3 -0.230 3.731 3.960 0.002 0.000 0.260 365 G C -0.435 174.640 174.900 0.292 0.000 1.025 365 G CA 0.159 45.344 45.100 0.141 0.000 0.769 365 G HN 0.107 nan 8.290 nan 0.000 0.507 366 W N 0.220 121.513 121.300 -0.013 0.000 2.150 366 W HA 0.623 5.284 4.660 0.001 0.000 0.341 366 W C 0.995 177.540 176.519 0.043 0.000 1.276 366 W CA -1.053 56.309 57.345 0.029 0.000 1.238 366 W CB 0.400 29.882 29.460 0.035 0.000 1.128 366 W HN 0.069 nan 8.180 nan 0.000 0.581 367 R N 1.241 121.875 120.500 0.223 0.000 2.490 367 R HA 0.386 4.727 4.340 0.002 0.000 0.278 367 R C 0.132 176.566 176.300 0.223 0.000 1.069 367 R CA -0.345 55.855 56.100 0.168 0.000 1.080 367 R CB -0.166 30.191 30.300 0.096 0.000 1.030 367 R HN 0.490 nan 8.270 nan 0.000 0.491 368 T N -1.543 113.125 114.554 0.190 0.000 2.893 368 T HA 0.618 4.969 4.350 0.002 0.000 0.293 368 T C -0.717 174.103 174.700 0.200 0.000 1.027 368 T CA -0.727 61.504 62.100 0.219 0.000 0.988 368 T CB 1.259 70.237 68.868 0.182 0.000 1.043 368 T HN 0.451 nan 8.240 nan 0.000 0.461 369 F N 3.290 123.275 119.950 0.058 0.000 2.496 369 F HA 0.624 5.152 4.527 0.002 0.000 0.341 369 F C -1.309 174.534 175.800 0.072 0.000 1.134 369 F CA -1.361 56.660 58.000 0.035 0.000 0.968 369 F CB 1.330 40.322 39.000 -0.014 0.000 1.205 369 F HN 0.662 nan 8.300 nan 0.000 0.436 370 L N 7.674 128.958 121.223 0.102 0.000 2.264 370 L HA 0.549 4.890 4.340 0.002 0.000 0.289 370 L C -1.122 175.908 176.870 0.266 0.000 1.044 370 L CA -0.391 54.563 54.840 0.189 0.000 0.807 370 L CB 1.235 43.347 42.059 0.087 0.000 1.192 370 L HN 0.398 nan 8.230 nan 0.000 0.425 371 V N 7.181 127.330 119.914 0.392 0.000 2.461 371 V HA 0.301 4.422 4.120 0.002 0.000 0.275 371 V C 0.334 176.595 176.094 0.279 0.000 1.047 371 V CA -0.079 62.464 62.300 0.405 0.000 0.955 371 V CB 1.046 33.124 31.823 0.424 0.000 0.988 371 V HN 0.586 nan 8.190 nan 0.000 0.471 372 I N 7.043 127.768 120.570 0.259 0.000 2.595 372 I HA 0.268 4.439 4.170 0.002 0.000 0.275 372 I C -1.844 174.319 176.117 0.077 0.000 1.092 372 I CA -1.646 59.755 61.300 0.168 0.000 1.145 372 I CB 1.684 39.850 38.000 0.278 0.000 1.276 372 I HN 0.431 nan 8.210 nan 0.000 0.497 373 P HA -0.167 nan 4.420 nan 0.000 0.216 373 P C 0.972 178.157 177.300 -0.191 0.000 1.150 373 P CA 1.398 64.451 63.100 -0.077 0.000 0.837 373 P CB 0.276 31.857 31.700 -0.197 0.000 0.786 374 E N -1.055 118.830 120.200 -0.526 0.000 2.409 374 E HA -0.111 4.240 4.350 0.002 0.000 0.198 374 E C 1.683 178.299 176.600 0.027 0.000 1.024 374 E CA 0.257 56.397 56.400 -0.434 0.000 0.861 374 E CB -0.919 28.448 29.700 -0.556 0.000 0.788 374 E HN 0.117 nan 8.360 nan 0.000 0.521 375 L N 0.687 121.983 121.223 0.121 0.000 2.127 375 L HA -0.162 4.179 4.340 0.002 0.000 0.211 375 L C 2.035 179.070 176.870 0.274 0.000 1.089 375 L CA 1.759 56.750 54.840 0.252 0.000 0.757 375 L CB -0.769 41.462 42.059 0.286 0.000 0.899 375 L HN 0.146 nan 8.230 nan 0.000 0.434 376 A N -1.088 121.916 122.820 0.306 0.000 1.865 376 A HA -0.303 4.018 4.320 0.002 0.000 0.217 376 A C 2.284 180.117 177.584 0.416 0.000 1.191 376 A CA 1.930 54.204 52.037 0.395 0.000 0.623 376 A CB -0.741 18.468 19.000 0.348 0.000 0.826 376 A HN 0.524 nan 8.150 nan 0.000 0.444 377 Q N -0.287 119.733 119.800 0.367 0.000 2.079 377 Q HA -0.124 4.217 4.340 0.002 0.000 0.200 377 Q C 1.944 178.166 176.000 0.370 0.000 0.974 377 Q CA 1.839 57.851 55.803 0.348 0.000 0.840 377 Q CB -0.283 28.666 28.738 0.352 0.000 0.898 377 Q HN 0.693 nan 8.270 nan 0.000 0.430 378 E N -0.125 120.290 120.200 0.358 0.000 2.118 378 E HA -0.172 4.178 4.350 0.002 0.000 0.195 378 E C 2.026 178.863 176.600 0.395 0.000 0.992 378 E CA 1.075 57.735 56.400 0.433 0.000 0.804 378 E CB -0.143 29.806 29.700 0.415 0.000 0.741 378 E HN 0.412 nan 8.360 nan 0.000 0.458 379 L N -0.011 121.391 121.223 0.299 0.000 2.056 379 L HA -0.198 4.143 4.340 0.002 0.000 0.207 379 L C 2.636 179.686 176.870 0.300 0.000 1.078 379 L CA 1.290 56.250 54.840 0.199 0.000 0.749 379 L CB -0.519 41.517 42.059 -0.039 0.000 0.901 379 L HN 0.187 nan 8.230 nan 0.000 0.433 380 H N -0.305 118.966 119.070 0.335 0.000 2.319 380 H HA -0.174 4.383 4.556 0.002 0.000 0.299 380 H C 2.061 177.480 175.328 0.152 0.000 1.092 380 H CA 2.239 58.457 56.048 0.284 0.000 1.302 380 H CB -0.094 29.803 29.762 0.226 0.000 1.373 380 H HN 0.017 nan 8.280 nan 0.000 0.497 381 V N 0.369 120.359 119.914 0.126 0.000 2.358 381 V HA -0.252 3.869 4.120 0.002 0.000 0.246 381 V C 2.423 178.492 176.094 -0.042 0.000 1.047 381 V CA 1.807 64.047 62.300 -0.099 0.000 1.035 381 V CB -0.892 30.721 31.823 -0.350 0.000 0.658 381 V HN 0.660 nan 8.190 nan 0.000 0.452 382 W N 0.849 122.141 121.300 -0.013 0.000 2.338 382 W HA -0.272 4.389 4.660 0.002 0.000 0.304 382 W C 2.552 179.037 176.519 -0.057 0.000 1.212 382 W CA 2.491 59.838 57.345 0.003 0.000 1.264 382 W CB -0.357 29.101 29.460 -0.005 0.000 1.142 382 W HN 0.359 nan 8.180 nan 0.000 0.512 383 T N -0.233 114.312 114.554 -0.015 0.000 2.809 383 T HA -0.213 4.138 4.350 0.002 0.000 0.260 383 T C 1.329 175.922 174.700 -0.179 0.000 1.039 383 T CA 2.051 64.082 62.100 -0.115 0.000 1.141 383 T CB -0.517 68.352 68.868 0.002 0.000 0.869 383 T HN 0.070 nan 8.240 nan 0.000 0.437 384 D N 0.164 120.430 120.400 -0.223 0.000 2.218 384 D HA -0.042 4.599 4.640 0.002 0.000 0.204 384 D C 1.266 177.448 176.300 -0.196 0.000 0.976 384 D CA 0.906 54.755 54.000 -0.252 0.000 0.853 384 D CB 0.166 40.703 40.800 -0.437 0.000 0.939 384 D HN 0.218 nan 8.370 nan 0.000 0.481 385 K N -0.434 119.841 120.400 -0.209 0.000 2.646 385 K HA 0.154 4.475 4.320 0.002 0.000 0.206 385 K C 1.309 177.783 176.600 -0.209 0.000 1.069 385 K CA 0.127 56.308 56.287 -0.177 0.000 1.067 385 K CB 0.760 33.160 32.500 -0.165 0.000 0.807 385 K HN 0.112 nan 8.250 nan 0.000 0.482 386 S N 0.127 115.661 115.700 -0.276 0.000 2.419 386 S HA -0.190 4.281 4.470 0.002 0.000 0.235 386 S C 2.001 176.494 174.600 -0.178 0.000 1.019 386 S CA 1.718 59.708 58.200 -0.351 0.000 0.982 386 S CB -0.329 62.671 63.200 -0.333 0.000 0.789 386 S HN 0.326 nan 8.310 nan 0.000 0.490 387 S N 2.062 117.689 115.700 -0.122 0.000 2.423 387 S HA 0.032 4.503 4.470 0.002 0.000 0.231 387 S C 1.661 176.228 174.600 -0.054 0.000 1.014 387 S CA 0.900 59.053 58.200 -0.077 0.000 0.965 387 S CB -0.700 62.460 63.200 -0.066 0.000 0.785 387 S HN 0.403 nan 8.310 nan 0.000 0.495 388 L N 0.098 121.296 121.223 -0.042 0.000 2.072 388 L HA 0.213 4.554 4.340 0.002 0.000 0.205 388 L C 2.272 179.159 176.870 0.028 0.000 1.079 388 L CA 1.345 56.183 54.840 -0.004 0.000 0.752 388 L CB -1.077 40.991 42.059 0.015 0.000 0.906 388 L HN 0.304 nan 8.230 nan 0.000 0.436 389 F N 0.729 120.601 119.950 -0.131 0.000 2.146 389 F HA -0.159 4.369 4.527 0.002 0.000 0.298 389 F C 2.406 178.153 175.800 -0.088 0.000 1.096 389 F CA 1.444 59.374 58.000 -0.117 0.000 1.275 389 F CB -0.154 38.676 39.000 -0.284 0.000 1.008 389 F HN 0.108 nan 8.300 nan 0.000 0.480 390 E N -0.024 120.139 120.200 -0.062 0.000 2.070 390 E HA -0.316 4.035 4.350 0.002 0.000 0.197 390 E C 2.190 178.706 176.600 -0.140 0.000 1.004 390 E CA 1.717 58.053 56.400 -0.107 0.000 0.805 390 E CB -0.357 29.310 29.700 -0.055 0.000 0.744 390 E HN 0.583 nan 8.360 nan 0.000 0.451 391 E N 0.530 120.669 120.200 -0.103 0.000 2.051 391 E HA -0.225 4.126 4.350 0.002 0.000 0.192 391 E C 2.160 178.698 176.600 -0.103 0.000 0.991 391 E CA 0.761 57.110 56.400 -0.084 0.000 0.799 391 E CB -0.026 29.642 29.700 -0.052 0.000 0.748 391 E HN 0.110 nan 8.360 nan 0.000 0.449 392 L N 1.375 122.513 121.223 -0.141 0.000 2.042 392 L HA -0.233 4.108 4.340 0.002 0.000 0.210 392 L C 2.270 179.013 176.870 -0.212 0.000 1.076 392 L CA 1.839 56.587 54.840 -0.154 0.000 0.749 392 L CB -0.461 41.503 42.059 -0.159 0.000 0.893 392 L HN 0.195 nan 8.230 nan 0.000 0.432 393 Q N -1.228 118.359 119.800 -0.355 0.000 2.096 393 Q HA -0.202 4.139 4.340 0.002 0.000 0.204 393 Q C 2.213 178.138 176.000 -0.124 0.000 0.982 393 Q CA 2.045 57.678 55.803 -0.285 0.000 0.850 393 Q CB -0.193 28.349 28.738 -0.326 0.000 0.901 393 Q HN 0.551 nan 8.270 nan 0.000 0.422 394 S N 0.786 116.428 115.700 -0.098 0.000 2.368 394 S HA -0.074 4.397 4.470 0.002 0.000 0.224 394 S C 1.963 176.577 174.600 0.023 0.000 1.029 394 S CA 0.795 58.972 58.200 -0.038 0.000 0.988 394 S CB -0.161 63.005 63.200 -0.057 0.000 0.838 394 S HN 0.250 nan 8.310 nan 0.000 0.462 395 L N 1.514 122.745 121.223 0.013 0.000 2.046 395 L HA -0.153 4.188 4.340 0.002 0.000 0.208 395 L C 2.205 179.120 176.870 0.074 0.000 1.077 395 L CA 1.120 56.006 54.840 0.077 0.000 0.747 395 L CB -0.650 41.433 42.059 0.041 0.000 0.896 395 L HN 0.203 nan 8.230 nan 0.000 0.432 396 D N 0.258 120.666 120.400 0.013 0.000 2.123 396 D HA -0.174 4.467 4.640 0.002 0.000 0.196 396 D C 2.279 178.591 176.300 0.019 0.000 0.992 396 D CA 1.403 55.405 54.000 0.003 0.000 0.833 396 D CB -0.053 40.731 40.800 -0.027 0.000 0.954 396 D HN 0.336 nan 8.370 nan 0.000 0.455 397 I N 0.130 120.721 120.570 0.035 0.000 2.202 397 I HA -0.248 3.923 4.170 0.002 0.000 0.242 397 I C 2.208 178.389 176.117 0.107 0.000 1.091 397 I CA 0.597 61.929 61.300 0.054 0.000 1.368 397 I CB -0.159 37.870 38.000 0.049 0.000 1.058 397 I HN -0.105 nan 8.210 nan 0.000 0.410 398 F N 1.105 121.040 119.950 -0.026 0.000 2.365 398 F HA -0.146 4.382 4.527 0.002 0.000 0.300 398 F C 2.059 177.849 175.800 -0.016 0.000 1.090 398 F CA 1.092 59.081 58.000 -0.020 0.000 1.408 398 F CB -0.293 38.694 39.000 -0.021 0.000 1.060 398 F HN -0.057 nan 8.300 nan 0.000 0.534 399 L N -0.361 120.809 121.223 -0.090 0.000 2.362 399 L HA 0.084 4.425 4.340 0.002 0.000 0.219 399 L C 1.271 178.053 176.870 -0.146 0.000 1.134 399 L CA 0.555 55.298 54.840 -0.161 0.000 0.807 399 L CB -0.608 41.412 42.059 -0.065 0.000 0.927 399 L HN 0.169 nan 8.230 nan 0.000 0.447 421 R N 0.400 120.913 120.500 0.021 0.000 2.153 421 R HA 0.068 4.409 4.340 0.002 0.000 0.218 421 R C 1.994 178.310 176.300 0.026 0.000 1.072 421 R CA 1.088 57.201 56.100 0.021 0.000 0.990 421 R CB 0.016 30.326 30.300 0.016 0.000 0.889 421 R HN -0.010 nan 8.270 nan 0.000 0.452 422 R N 1.696 122.215 120.500 0.031 0.000 2.115 422 R HA 0.002 4.343 4.340 0.002 0.000 0.230 422 R C 1.803 178.126 176.300 0.038 0.000 1.111 422 R CA 1.299 57.420 56.100 0.035 0.000 0.976 422 R CB -0.472 29.852 30.300 0.041 0.000 0.870 422 R HN 0.180 nan 8.270 nan 0.000 0.445 423 I N 0.406 120.999 120.570 0.038 0.000 2.226 423 I HA -0.276 3.895 4.170 0.002 0.000 0.245 423 I C 1.994 178.141 176.117 0.050 0.000 1.100 423 I CA 1.492 62.815 61.300 0.038 0.000 1.374 423 I CB -0.236 37.783 38.000 0.031 0.000 1.057 423 I HN 0.183 nan 8.210 nan 0.000 0.413 424 K N 0.498 120.927 120.400 0.048 0.000 2.097 424 K HA -0.182 4.139 4.320 0.002 0.000 0.205 424 K C 2.235 178.882 176.600 0.079 0.000 1.050 424 K CA 0.871 57.194 56.287 0.060 0.000 0.938 424 K CB -0.114 32.411 32.500 0.042 0.000 0.718 424 K HN 0.139 nan 8.250 nan 0.000 0.442 425 K N 1.407 121.844 120.400 0.061 0.000 2.025 425 K HA -0.084 4.237 4.320 0.002 0.000 0.207 425 K C 1.975 178.636 176.600 0.102 0.000 1.049 425 K CA 1.106 57.435 56.287 0.071 0.000 0.933 425 K CB -0.109 32.416 32.500 0.041 0.000 0.714 425 K HN -0.058 nan 8.250 nan 0.000 0.438 426 V N 1.200 121.158 119.914 0.075 0.000 2.427 426 V HA -0.192 3.929 4.120 0.002 0.000 0.248 426 V C 2.318 178.468 176.094 0.093 0.000 1.051 426 V CA 2.097 64.439 62.300 0.069 0.000 1.048 426 V CB -0.622 31.226 31.823 0.040 0.000 0.666 426 V HN 0.406 nan 8.190 nan 0.000 0.456 427 T N -1.073 113.542 114.554 0.103 0.000 2.665 427 T HA -0.280 4.071 4.350 0.002 0.000 0.268 427 T C 1.879 176.657 174.700 0.131 0.000 1.035 427 T CA 2.013 64.186 62.100 0.121 0.000 1.151 427 T CB -0.453 68.483 68.868 0.113 0.000 0.862 427 T HN 0.610 nan 8.240 nan 0.000 0.438 428 H N 1.203 120.303 119.070 0.049 0.000 2.321 428 H HA -0.110 4.447 4.556 0.002 0.000 0.300 428 H C 1.778 177.126 175.328 0.034 0.000 1.087 428 H CA 1.859 57.926 56.048 0.031 0.000 1.319 428 H CB -0.157 29.613 29.762 0.013 0.000 1.379 428 H HN 0.261 nan 8.280 nan 0.000 0.501 429 D N 0.555 120.999 120.400 0.072 0.000 2.117 429 D HA -0.177 4.464 4.640 0.002 0.000 0.197 429 D C 2.468 178.762 176.300 -0.011 0.000 0.987 429 D CA 1.036 55.043 54.000 0.011 0.000 0.829 429 D CB -0.451 40.383 40.800 0.057 0.000 0.961 429 D HN 0.421 nan 8.370 nan 0.000 0.460 430 M N 0.611 120.241 119.600 0.050 0.000 2.067 430 M HA -0.192 4.289 4.480 0.002 0.000 0.260 430 M C 1.084 177.491 176.300 0.179 0.000 1.069 430 M CA 1.713 57.082 55.300 0.115 0.000 1.117 430 M CB 0.047 32.758 32.600 0.184 0.000 1.334 430 M HN -0.205 nan 8.290 nan 0.000 0.407 431 D N 0.290 120.765 120.400 0.125 0.000 2.144 431 D HA -0.160 4.481 4.640 0.002 0.000 0.199 431 D C 1.913 178.260 176.300 0.078 0.000 0.984 431 D CA 1.286 55.366 54.000 0.134 0.000 0.834 431 D CB -0.224 40.581 40.800 0.008 0.000 0.955 431 D HN 0.361 nan 8.370 nan 0.000 0.465 432 M N 0.014 119.543 119.600 -0.119 0.000 2.374 432 M HA -0.084 4.396 4.480 0.002 0.000 0.264 432 M C 2.030 178.290 176.300 -0.068 0.000 1.067 432 M CA 0.415 55.618 55.300 -0.163 0.000 1.103 432 M CB -1.079 31.342 32.600 -0.298 0.000 1.402 432 M HN 0.139 nan 8.290 nan 0.000 0.444 433 C N -0.652 118.613 119.300 -0.057 0.000 2.419 433 C HA -0.161 4.300 4.460 0.002 0.000 0.283 433 C C 2.439 177.312 174.990 -0.195 0.000 1.373 433 C CA 0.555 59.479 59.018 -0.157 0.000 1.781 433 C CB -1.375 26.201 27.740 -0.273 0.000 1.886 433 C HN 0.470 nan 8.230 nan 0.000 0.520 434 Y N 0.560 120.858 120.300 -0.003 0.000 2.503 434 Y HA 0.381 4.932 4.550 0.002 0.000 0.278 434 Y C 1.526 177.420 175.900 -0.011 0.000 1.111 434 Y CA 0.924 59.034 58.100 0.016 0.000 1.270 434 Y CB -0.043 38.426 38.460 0.015 0.000 1.063 434 Y HN 0.379 nan 8.280 nan 0.000 0.548 435 G N -1.557 107.299 108.800 0.095 0.000 2.369 435 G HA2 -0.060 3.901 3.960 0.002 0.000 0.307 435 G HA3 -0.060 3.901 3.960 0.002 0.000 0.307 435 G C 0.038 174.909 174.900 -0.047 0.000 1.327 435 G CA -0.566 44.543 45.100 0.015 0.000 0.963 435 G HN -0.195 nan 8.290 nan 0.000 0.590 436 M N 0.030 119.582 119.600 -0.080 0.000 2.296 436 M HA 0.100 4.581 4.480 0.002 0.000 0.265 436 M C 2.044 178.264 176.300 -0.133 0.000 1.064 436 M CA 1.301 56.520 55.300 -0.135 0.000 1.109 436 M CB -0.573 32.035 32.600 0.012 0.000 1.396 436 M HN 0.463 nan 8.290 nan 0.000 0.430 437 M N -0.245 119.275 119.600 -0.133 0.000 2.419 437 M HA 0.268 4.749 4.480 0.002 0.000 0.252 437 M C 0.824 177.083 176.300 -0.069 0.000 1.143 437 M CA 0.118 55.370 55.300 -0.082 0.000 0.985 437 M CB -0.655 31.824 32.600 -0.201 0.000 1.489 437 M HN 0.363 nan 8.290 nan 0.000 0.484 438 G N 1.041 109.811 108.800 -0.049 0.000 2.698 438 G HA2 -0.217 3.744 3.960 0.002 0.000 0.233 438 G HA3 -0.217 3.744 3.960 0.002 0.000 0.233 438 G C -0.202 174.611 174.900 -0.145 0.000 1.352 438 G CA -0.067 45.008 45.100 -0.041 0.000 0.879 438 G HN 0.441 nan 8.290 nan 0.000 0.567 439 S N -1.074 114.377 115.700 -0.416 0.000 2.572 439 S HA 0.295 4.766 4.470 0.002 0.000 0.279 439 S C 1.716 176.060 174.600 -0.427 0.000 1.341 439 S CA 0.374 58.160 58.200 -0.691 0.000 1.043 439 S CB 0.948 63.531 63.200 -1.028 0.000 0.887 439 S HN 1.775 nan 8.310 nan 0.000 0.516 440 L N 4.557 125.467 121.223 -0.522 0.000 2.129 440 L HA 0.027 4.368 4.340 0.002 0.000 0.212 440 L C 1.133 177.624 176.870 -0.632 0.000 1.087 440 L CA 2.062 56.467 54.840 -0.725 0.000 0.757 440 L CB -0.699 40.674 42.059 -1.144 0.000 0.896 440 L HN 0.803 nan 8.230 nan 0.000 0.434 441 F N -0.228 119.593 119.950 -0.215 0.000 2.731 441 F HA 0.278 4.806 4.527 0.002 0.000 0.298 441 F C 1.080 176.789 175.800 -0.152 0.000 1.106 441 F CA -0.142 57.761 58.000 -0.163 0.000 1.329 441 F CB -0.005 38.848 39.000 -0.246 0.000 1.100 441 F HN 0.092 nan 8.300 nan 0.000 0.592 442 R N -2.098 118.387 120.500 -0.025 0.000 2.765 442 R HA 0.572 4.913 4.340 0.002 0.000 0.277 442 R C -1.430 174.856 176.300 -0.023 0.000 1.028 442 R CA -0.852 55.249 56.100 0.001 0.000 0.860 442 R CB 0.902 31.231 30.300 0.049 0.000 1.270 442 R HN -0.241 nan 8.270 nan 0.000 0.484 443 S N 0.593 116.315 115.700 0.036 0.000 2.718 443 S HA 0.593 5.064 4.470 0.002 0.000 0.294 443 S C 0.382 175.047 174.600 0.110 0.000 1.157 443 S CA 0.130 58.362 58.200 0.054 0.000 1.121 443 S CB 1.166 64.394 63.200 0.047 0.000 1.015 443 S HN 1.135 nan 8.310 nan 0.000 0.479 444 G N 3.473 112.367 108.800 0.155 0.000 2.591 444 G HA2 -0.360 3.601 3.960 0.002 0.000 0.298 444 G HA3 -0.360 3.601 3.960 0.002 0.000 0.298 444 G C 1.148 176.215 174.900 0.279 0.000 1.195 444 G CA 0.639 45.865 45.100 0.209 0.000 0.989 444 G HN 1.345 nan 8.290 nan 0.000 0.551 445 S N 0.541 116.365 115.700 0.206 0.000 2.603 445 S HA 0.256 4.727 4.470 0.002 0.000 0.220 445 S C 0.999 175.703 174.600 0.173 0.000 0.967 445 S CA 0.884 59.214 58.200 0.217 0.000 0.920 445 S CB 0.085 63.347 63.200 0.104 0.000 0.773 445 S HN 0.705 nan 8.310 nan 0.000 0.529 446 R N 1.994 122.576 120.500 0.138 0.000 2.229 446 R HA 0.337 4.678 4.340 0.002 0.000 0.328 446 R C -0.424 175.931 176.300 0.091 0.000 1.009 446 R CA -0.258 55.905 56.100 0.105 0.000 0.864 446 R CB 0.819 31.171 30.300 0.086 0.000 1.085 446 R HN 0.475 nan 8.270 nan 0.000 0.453 447 Q N 1.524 121.373 119.800 0.081 0.000 2.352 447 Q HA 0.072 4.413 4.340 0.002 0.000 0.260 447 Q C 0.483 176.507 176.000 0.041 0.000 0.976 447 Q CA 0.092 55.928 55.803 0.055 0.000 0.881 447 Q CB 1.006 29.765 28.738 0.035 0.000 1.235 447 Q HN 0.575 nan 8.270 nan 0.000 0.419 448 T N -1.147 113.427 114.554 0.034 0.000 2.788 448 T HA 0.096 4.447 4.350 0.002 0.000 0.287 448 T C 1.050 175.757 174.700 0.011 0.000 1.007 448 T CA -0.809 61.302 62.100 0.019 0.000 1.005 448 T CB 0.617 69.492 68.868 0.011 0.000 1.012 448 T HN 0.544 nan 8.240 nan 0.000 0.530 449 L N 0.666 121.886 121.223 -0.006 0.000 2.013 449 L HA 0.001 4.342 4.340 0.002 0.000 0.212 449 L C 2.146 179.024 176.870 0.013 0.000 1.073 449 L CA 1.839 56.664 54.840 -0.025 0.000 0.753 449 L CB -1.352 40.685 42.059 -0.037 0.000 0.890 449 L HN 0.799 nan 8.230 nan 0.000 0.432 450 F N 0.290 120.188 119.950 -0.087 0.000 2.095 450 F HA -0.222 4.306 4.527 0.002 0.000 0.298 450 F C 2.353 178.121 175.800 -0.053 0.000 1.104 450 F CA 1.884 59.832 58.000 -0.087 0.000 1.232 450 F CB -0.714 38.187 39.000 -0.165 0.000 0.987 450 F HN 0.196 nan 8.300 nan 0.000 0.475 451 A N -0.502 122.386 122.820 0.114 0.000 1.892 451 A HA -0.242 4.079 4.320 0.002 0.000 0.218 451 A C 2.365 179.874 177.584 -0.125 0.000 1.188 451 A CA 2.364 54.436 52.037 0.058 0.000 0.631 451 A CB -1.393 17.676 19.000 0.114 0.000 0.822 451 A HN 0.453 nan 8.150 nan 0.000 0.447 452 S N -0.475 115.162 115.700 -0.104 0.000 2.382 452 S HA -0.193 4.278 4.470 0.002 0.000 0.228 452 S C 2.111 176.606 174.600 -0.175 0.000 1.027 452 S CA 1.544 59.661 58.200 -0.138 0.000 0.991 452 S CB -0.316 62.803 63.200 -0.135 0.000 0.823 452 S HN 0.707 nan 8.310 nan 0.000 0.469 453 Q N 0.294 119.998 119.800 -0.160 0.000 2.123 453 Q HA -0.028 4.313 4.340 0.002 0.000 0.199 453 Q C 2.298 178.201 176.000 -0.161 0.000 0.966 453 Q CA 1.096 56.853 55.803 -0.076 0.000 0.845 453 Q CB -0.325 28.407 28.738 -0.009 0.000 0.907 453 Q HN 0.375 nan 8.270 nan 0.000 0.439 454 V N 1.178 120.870 119.914 -0.370 0.000 2.287 454 V HA -0.297 3.824 4.120 0.002 0.000 0.248 454 V C 2.221 178.140 176.094 -0.291 0.000 1.053 454 V CA 1.836 63.896 62.300 -0.400 0.000 1.027 454 V CB -0.484 30.988 31.823 -0.584 0.000 0.646 454 V HN 0.413 nan 8.190 nan 0.000 0.447 455 M N -0.859 118.576 119.600 -0.276 0.000 2.229 455 M HA -0.165 4.316 4.480 0.002 0.000 0.264 455 M C 2.405 178.579 176.300 -0.210 0.000 1.063 455 M CA 1.663 56.840 55.300 -0.205 0.000 1.114 455 M CB -0.384 32.111 32.600 -0.175 0.000 1.387 455 M HN 0.225 nan 8.290 nan 0.000 0.420 456 R N -0.516 119.795 120.500 -0.315 0.000 2.100 456 R HA -0.100 4.241 4.340 0.002 0.000 0.220 456 R C 1.087 177.039 176.300 -0.580 0.000 1.091 456 R CA 1.414 57.193 56.100 -0.536 0.000 0.986 456 R CB 0.239 30.021 30.300 -0.864 0.000 0.888 456 R HN 0.310 nan 8.270 nan 0.000 0.444 457 Y N -1.353 118.896 120.300 -0.085 0.000 2.430 457 Y HA 0.447 4.998 4.550 0.002 0.000 0.254 457 Y C 0.231 176.102 175.900 -0.049 0.000 1.088 457 Y CA -0.238 57.823 58.100 -0.065 0.000 1.267 457 Y CB 0.656 39.072 38.460 -0.075 0.000 1.204 457 Y HN 0.002 nan 8.280 nan 0.000 0.515 458 A N 0.835 123.680 122.820 0.043 0.000 2.279 458 A HA 0.262 4.583 4.320 0.002 0.000 0.306 458 A C 0.414 178.008 177.584 0.016 0.000 1.300 458 A CA -0.411 51.642 52.037 0.026 0.000 0.925 458 A CB 0.059 19.040 19.000 -0.031 0.000 1.152 458 A HN 0.221 nan 8.150 nan 0.000 0.544 459 D N 1.714 122.131 120.400 0.028 0.000 2.117 459 D HA -0.038 4.603 4.640 0.002 0.000 0.197 459 D C 0.524 176.793 176.300 -0.052 0.000 0.987 459 D CA 1.563 55.567 54.000 0.008 0.000 0.829 459 D CB 0.018 40.838 40.800 0.033 0.000 0.961 459 D HN 0.566 nan 8.370 nan 0.000 0.460 460 L N -0.707 120.436 121.223 -0.134 0.000 2.354 460 L HA 0.487 4.828 4.340 0.002 0.000 0.264 460 L C -0.934 175.665 176.870 -0.452 0.000 1.008 460 L CA -1.307 53.310 54.840 -0.371 0.000 0.819 460 L CB 2.112 43.830 42.059 -0.568 0.000 1.339 460 L HN 0.008 nan 8.230 nan 0.000 0.420 461 Y N 0.218 120.126 120.300 -0.654 0.000 2.609 461 Y HA 0.927 5.478 4.550 0.002 0.000 0.336 461 Y C -1.094 174.589 175.900 -0.360 0.000 1.129 461 Y CA -0.971 56.778 58.100 -0.585 0.000 1.040 461 Y CB 1.738 40.061 38.460 -0.229 0.000 1.310 461 Y HN 0.760 nan 8.280 nan 0.000 0.460 462 A N 0.749 123.562 122.820 -0.012 0.000 2.566 462 A HA 0.724 5.045 4.320 0.002 0.000 0.290 462 A C 0.165 177.938 177.584 0.316 0.000 1.071 462 A CA -0.593 51.543 52.037 0.166 0.000 0.658 462 A CB 0.618 19.735 19.000 0.195 0.000 1.285 462 A HN 1.728 nan 8.150 nan 0.000 0.427 463 A N -0.089 122.911 122.820 0.300 0.000 2.015 463 A HA 0.416 4.737 4.320 0.002 0.000 0.219 463 A C 1.181 178.931 177.584 0.278 0.000 1.163 463 A CA 2.168 54.374 52.037 0.283 0.000 0.646 463 A CB -0.301 18.863 19.000 0.273 0.000 0.806 463 A HN 2.030 nan 8.150 nan 0.000 0.448 464 S N -2.603 113.264 115.700 0.279 0.000 2.541 464 S HA 0.456 4.927 4.470 0.002 0.000 0.271 464 S C 0.437 175.154 174.600 0.194 0.000 1.133 464 S CA -0.188 58.128 58.200 0.193 0.000 0.876 464 S CB 0.616 63.832 63.200 0.027 0.000 1.105 464 S HN 0.739 nan 8.310 nan 0.000 0.470 465 F N 3.120 123.178 119.950 0.180 0.000 2.333 465 F HA 0.124 4.652 4.527 0.001 0.000 0.300 465 F C 1.455 177.204 175.800 -0.084 0.000 1.083 465 F CA 0.818 58.757 58.000 -0.102 0.000 1.395 465 F CB -0.421 38.522 39.000 -0.095 0.000 1.056 465 F HN 0.512 nan 8.300 nan 0.000 0.529 466 I N 1.989 121.944 120.570 -1.025 0.000 2.700 466 I HA -0.221 3.950 4.170 0.002 0.000 0.261 466 I C 1.498 177.357 176.117 -0.429 0.000 1.219 466 I CA 1.082 61.934 61.300 -0.748 0.000 1.463 466 I CB -0.921 36.667 38.000 -0.687 0.000 1.092 466 I HN 0.118 nan 8.210 nan 0.000 0.452 467 N N 0.222 118.835 118.700 -0.145 0.000 2.364 467 N HA -0.122 4.619 4.740 0.002 0.000 0.183 467 N C 1.804 177.333 175.510 0.033 0.000 1.022 467 N CA 0.984 54.066 53.050 0.054 0.000 0.883 467 N CB -0.412 38.255 38.487 0.301 0.000 0.965 467 N HN 0.391 nan 8.380 nan 0.000 0.438 468 L N -0.035 121.172 121.223 -0.027 0.000 2.187 468 L HA -0.142 4.199 4.340 0.002 0.000 0.213 468 L C 2.033 178.812 176.870 -0.151 0.000 1.100 468 L CA 0.426 55.269 54.840 0.006 0.000 0.765 468 L CB -0.342 41.684 42.059 -0.056 0.000 0.904 468 L HN 0.157 nan 8.230 nan 0.000 0.437 469 L N -0.919 120.056 121.223 -0.413 0.000 2.187 469 L HA -0.223 4.118 4.340 0.002 0.000 0.213 469 L C 1.859 178.472 176.870 -0.429 0.000 1.100 469 L CA 1.779 56.316 54.840 -0.506 0.000 0.765 469 L CB -0.493 41.156 42.059 -0.683 0.000 0.904 469 L HN 0.190 nan 8.230 nan 0.000 0.437 470 Y N -2.195 118.067 120.300 -0.063 0.000 2.490 470 Y HA 0.191 4.742 4.550 0.002 0.000 0.281 470 Y C -0.142 175.476 175.900 -0.471 0.000 1.174 470 Y CA -0.892 57.073 58.100 -0.224 0.000 1.295 470 Y CB -0.996 37.347 38.460 -0.195 0.000 1.062 470 Y HN 0.053 nan 8.280 nan 0.000 0.522 471 Y N 1.061 121.233 120.300 -0.214 0.000 2.429 471 Y HA 0.488 5.039 4.550 0.002 0.000 0.342 471 Y C -2.087 173.594 175.900 -0.366 0.000 1.004 471 Y CA -3.216 54.659 58.100 -0.376 0.000 1.075 471 Y CB 1.222 39.380 38.460 -0.503 0.000 1.214 471 Y HN -0.181 nan 8.280 nan 0.000 0.455 472 P HA 0.080 nan 4.420 nan 0.000 0.274 472 P C -0.043 177.217 177.300 -0.068 0.000 1.237 472 P CA -0.113 62.930 63.100 -0.094 0.000 0.793 472 P CB 0.838 32.556 31.700 0.031 0.000 0.977 473 F N -0.003 120.025 119.950 0.130 0.000 2.802 473 F HA -0.054 4.473 4.527 0.001 0.000 0.300 473 F C 2.154 178.053 175.800 0.164 0.000 1.168 473 F CA 1.048 59.150 58.000 0.171 0.000 1.433 473 F CB -0.618 38.477 39.000 0.157 0.000 1.115 473 F HN 0.260 nan 8.300 nan 0.000 0.582 474 S N -2.093 113.763 115.700 0.259 0.000 2.556 474 S HA 0.027 4.498 4.470 0.002 0.000 0.216 474 S C 0.380 175.053 174.600 0.122 0.000 0.970 474 S CA -0.400 57.904 58.200 0.173 0.000 0.912 474 S CB -0.986 62.285 63.200 0.118 0.000 0.790 474 S HN 0.252 nan 8.310 nan 0.000 0.504 475 Y N 2.096 122.381 120.300 -0.024 0.000 2.597 475 Y HA 0.382 4.933 4.550 0.002 0.000 0.336 475 Y C -0.045 175.737 175.900 -0.197 0.000 1.216 475 Y CA -0.866 57.130 58.100 -0.172 0.000 1.463 475 Y CB 0.459 38.709 38.460 -0.349 0.000 1.303 475 Y HN 0.248 nan 8.280 nan 0.000 0.576 476 L N 7.995 128.808 121.223 -0.683 0.000 2.264 476 L HA 0.398 4.739 4.340 0.002 0.000 0.287 476 L C -1.569 174.944 176.870 -0.595 0.000 1.039 476 L CA -0.568 54.014 54.840 -0.430 0.000 0.829 476 L CB -0.718 41.178 42.059 -0.273 0.000 1.211 476 L HN 0.427 nan 8.230 nan 0.000 0.427 477 F N 4.849 124.756 119.950 -0.072 0.000 2.506 477 F HA 0.400 4.928 4.527 0.002 0.000 0.371 477 F C 0.840 176.619 175.800 -0.035 0.000 1.078 477 F CA 0.141 58.157 58.000 0.027 0.000 1.195 477 F CB 0.364 39.405 39.000 0.068 0.000 1.099 477 F HN 0.359 nan 8.300 nan 0.000 0.548 478 R N 2.315 122.880 120.500 0.109 0.000 2.562 478 R HA 0.819 5.160 4.340 0.002 0.000 0.298 478 R C -0.881 175.443 176.300 0.041 0.000 0.961 478 R CA -0.949 55.168 56.100 0.028 0.000 0.881 478 R CB 1.885 32.157 30.300 -0.048 0.000 1.159 478 R HN 0.686 nan 8.270 nan 0.000 0.450 479 A N 1.679 124.506 122.820 0.012 0.000 2.374 479 A HA 0.763 5.084 4.320 0.002 0.000 0.317 479 A C -0.464 177.088 177.584 -0.054 0.000 1.094 479 A CA -0.757 51.282 52.037 0.004 0.000 0.765 479 A CB 1.504 20.519 19.000 0.026 0.000 1.268 479 A HN 0.793 nan 8.150 nan 0.000 0.438 480 A N 1.713 124.505 122.820 -0.047 0.000 2.498 480 A HA 0.439 4.760 4.320 0.002 0.000 0.239 480 A C 0.198 177.763 177.584 -0.032 0.000 1.068 480 A CA -0.126 51.864 52.037 -0.079 0.000 0.766 480 A CB -0.340 18.644 19.000 -0.025 0.000 1.003 480 A HN 0.823 nan 8.150 nan 0.000 0.497 481 H N 0.640 119.712 119.070 0.004 0.000 2.897 481 H HA 0.184 4.741 4.556 0.002 0.000 0.347 481 H C 0.144 175.468 175.328 -0.007 0.000 1.068 481 H CA 0.108 56.155 56.048 -0.002 0.000 1.426 481 H CB 0.357 30.116 29.762 -0.004 0.000 1.410 481 H HN 0.316 nan 8.280 nan 0.000 0.597 482 V N 5.428 125.418 119.914 0.127 0.000 2.509 482 V HA 0.228 4.349 4.120 0.002 0.000 0.284 482 V C 0.591 176.697 176.094 0.020 0.000 1.047 482 V CA -0.528 61.803 62.300 0.051 0.000 0.952 482 V CB 1.221 33.061 31.823 0.029 0.000 0.988 482 V HN 0.433 nan 8.190 nan 0.000 0.469 483 L N 4.666 125.888 121.223 -0.001 0.000 2.342 483 L HA 0.589 4.930 4.340 0.002 0.000 0.271 483 L C -0.020 176.812 176.870 -0.062 0.000 1.008 483 L CA -0.587 54.227 54.840 -0.044 0.000 0.818 483 L CB 2.037 44.068 42.059 -0.046 0.000 1.296 483 L HN 0.514 nan 8.230 nan 0.000 0.427 484 M N 2.036 121.564 119.600 -0.121 0.000 2.202 484 M HA 0.175 4.656 4.480 0.002 0.000 0.316 484 M C -1.445 174.778 176.300 -0.128 0.000 1.138 484 M CA -1.352 53.880 55.300 -0.115 0.000 1.151 484 M CB 0.563 33.075 32.600 -0.147 0.000 1.422 484 M HN 0.310 nan 8.290 nan 0.000 0.471 485 P HA -0.214 nan 4.420 nan 0.000 0.216 485 P C 1.090 178.387 177.300 -0.005 0.000 1.150 485 P CA 1.480 64.578 63.100 -0.004 0.000 0.843 485 P CB -0.352 31.373 31.700 0.042 0.000 0.787 486 H N -0.838 118.236 119.070 0.006 0.000 2.547 486 H HA 0.118 4.675 4.556 0.002 0.000 0.272 486 H C 0.991 176.323 175.328 0.006 0.000 0.989 486 H CA 0.840 56.891 56.048 0.005 0.000 1.214 486 H CB -0.393 29.371 29.762 0.003 0.000 1.389 486 H HN 0.231 nan 8.280 nan 0.000 0.577 487 E N 0.968 120.903 120.200 -0.442 0.000 2.474 487 E HA 0.115 4.466 4.350 0.002 0.000 0.194 487 E C 0.303 176.832 176.600 -0.117 0.000 1.041 487 E CA -0.210 56.016 56.400 -0.291 0.000 0.874 487 E CB 0.635 30.128 29.700 -0.345 0.000 0.914 487 E HN 0.268 nan 8.360 nan 0.000 0.498 488 S N 0.000 115.651 115.700 -0.082 0.000 2.498 488 S HA 0.000 4.471 4.470 0.002 0.000 0.327 488 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 488 S CB 0.000 63.184 63.200 -0.026 0.000 0.593 488 S HN 0.000 nan 8.310 nan 0.000 0.517