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 1tk5_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIVSDIEANA LLESVTKFHC GVIYDYSTAE YVSYRPSDFG AYLDALEAEV DATA SEQUENCE ARGGLIVFHN GHKYDVPALT KLAKLQLNRE FHLPRENCID TLVLSRLIHS DATA SEQUENCE NLKDTDMGLL RSGKLPGXXX XXXALEAWGY RLGEMKGEYK DDFKRMLEEQ DATA SEQUENCE GEEYVDGMEW WNFNEEMMDY NVQDVVVTKA LLEKLLSDKH YFPPEIDFTD DATA SEQUENCE VGYTTFWSES LEAVDIEHRA AWLLAKQERN GFPFDTKAIE ELYVELAARR DATA SEQUENCE SELLRKLTET FGSWYQPKGG TEMFCHPRTG KPLPKYPRIK TPKVGGIFKK DATA SEQUENCE PXXKAQREGR XXCELDTREY VAGAPYTPVE HVVFNPSSRD HIQKKLQEAG DATA SEQUENCE WVPTKYTDKG APVVDDEVLE GVRVDDPEKQ AAIDLIKEYL MIQKRIGQSA DATA SEQUENCE EGDKAWLRYV AEDGKIHGSV NPNGAVTGRA THAFPNLAQI PGVRSPYGEQ DATA SEQUENCE CRAAFGAEHH LDGITGKPWV QAGIDASGLE LRCLAHFMAR FDNGEYAHEI DATA SEQUENCE LNGDIHTKNQ IAAELPTRDN AKTFIYGFLY GAXXXXIGQI VGAGKERGKE DATA SEQUENCE LKKKFLENTP AIAALRESIQ QTLVESXXXX XXXXXVKWKR RWIKGLDGRK DATA SEQUENCE VHVRSPHAAL NTLLQSAGAL ICKLWIIKTE EMLVEKGLKH GWDGDFAYMA DATA SEQUENCE WVHDEIQVGC RTEEIAQVVI ETAQEAMRWV GDHWNFRCLL DTEGKMGPNW DATA SEQUENCE AICH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.387 176.300 0.145 0.000 1.140 1 M CA 0.000 55.324 55.300 0.039 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.019 0.000 1.302 2 I N 1.711 122.314 120.570 0.056 0.000 2.892 2 I HA 0.912 5.082 4.170 0.001 0.000 0.306 2 I C -1.505 174.623 176.117 0.017 0.000 1.078 2 I CA -1.023 60.287 61.300 0.017 0.000 1.032 2 I CB 2.346 40.305 38.000 -0.068 0.000 1.229 2 I HN 0.439 nan 8.210 nan 0.000 0.435 3 V N 3.015 122.948 119.914 0.031 0.000 2.604 3 V HA 0.690 4.810 4.120 0.001 0.000 0.305 3 V C -0.116 175.972 176.094 -0.009 0.000 1.043 3 V CA -0.208 62.102 62.300 0.016 0.000 0.888 3 V CB 1.533 33.409 31.823 0.089 0.000 0.995 3 V HN 0.927 nan 8.190 nan 0.000 0.429 4 S N 2.393 118.022 115.700 -0.119 0.000 2.671 4 S HA 0.790 5.261 4.470 0.001 0.000 0.277 4 S C -2.090 172.653 174.600 0.238 0.000 1.165 4 S CA -0.473 57.738 58.200 0.019 0.000 0.822 4 S CB 2.142 65.300 63.200 -0.070 0.000 1.150 4 S HN 0.999 nan 8.310 nan 0.000 0.479 5 D N -0.107 120.567 120.400 0.457 0.000 2.706 5 D HA 0.514 5.154 4.640 0.001 0.000 0.227 5 D C -1.257 175.274 176.300 0.385 0.000 1.233 5 D CA -0.463 53.848 54.000 0.519 0.000 0.768 5 D CB 1.137 42.147 40.800 0.351 0.000 1.490 5 D HN 0.721 nan 8.370 nan 0.000 0.458 6 I N -1.292 119.461 120.570 0.306 0.000 3.002 6 I HA 0.780 4.950 4.170 0.001 0.000 0.310 6 I C -1.141 175.016 176.117 0.067 0.000 1.087 6 I CA -0.705 60.661 61.300 0.111 0.000 1.017 6 I CB 2.370 40.448 38.000 0.130 0.000 1.226 6 I HN 0.101 nan 8.210 nan 0.000 0.443 7 E N 3.029 123.180 120.200 -0.081 0.000 2.199 7 E HA 0.760 5.110 4.350 0.001 0.000 0.265 7 E C -1.006 175.535 176.600 -0.099 0.000 0.882 7 E CA -0.677 55.735 56.400 0.019 0.000 0.759 7 E CB 2.203 31.988 29.700 0.141 0.000 1.148 7 E HN 0.881 nan 8.360 nan 0.000 0.412 8 A N 2.368 125.149 122.820 -0.065 0.000 2.486 8 A HA 0.423 4.743 4.320 0.001 0.000 0.289 8 A C 0.517 177.978 177.584 -0.205 0.000 1.176 8 A CA -0.679 51.203 52.037 -0.258 0.000 0.757 8 A CB 0.829 19.740 19.000 -0.148 0.000 1.337 8 A HN 0.574 nan 8.150 nan 0.000 0.423 9 N N -0.113 118.374 118.700 -0.354 0.000 2.461 9 N HA 0.367 5.107 4.740 0.001 0.000 0.188 9 N C 0.062 175.590 175.510 0.030 0.000 1.134 9 N CA 1.056 54.107 53.050 0.001 0.000 0.878 9 N CB 0.129 38.625 38.487 0.016 0.000 0.972 9 N HN 1.284 nan 8.380 nan 0.000 0.456 10 A N -0.577 122.184 122.820 -0.098 0.000 2.483 10 A HA 0.478 4.799 4.320 0.001 0.000 0.294 10 A C -1.111 176.408 177.584 -0.107 0.000 1.077 10 A CA -0.897 51.072 52.037 -0.114 0.000 0.633 10 A CB -0.039 18.943 19.000 -0.030 0.000 1.318 10 A HN 0.083 nan 8.150 nan 0.000 0.455 11 L N 0.816 121.971 121.223 -0.114 0.000 2.476 11 L HA 0.142 4.482 4.340 0.001 0.000 0.264 11 L C 1.884 178.806 176.870 0.086 0.000 1.224 11 L CA -0.445 54.360 54.840 -0.058 0.000 0.821 11 L CB 0.118 42.116 42.059 -0.101 0.000 1.101 11 L HN 0.889 nan 8.230 nan 0.000 0.488 12 L N 1.496 122.837 121.223 0.195 0.000 2.034 12 L HA -0.278 4.063 4.340 0.001 0.000 0.217 12 L C 2.310 179.162 176.870 -0.031 0.000 1.077 12 L CA 2.003 56.880 54.840 0.062 0.000 0.769 12 L CB -0.558 41.520 42.059 0.030 0.000 0.890 12 L HN 0.655 nan 8.230 nan 0.000 0.435 13 E N -0.440 119.731 120.200 -0.047 0.000 2.147 13 E HA -0.187 4.164 4.350 0.001 0.000 0.199 13 E C 1.757 178.320 176.600 -0.061 0.000 1.005 13 E CA 1.660 58.011 56.400 -0.081 0.000 0.810 13 E CB -0.345 29.300 29.700 -0.092 0.000 0.736 13 E HN 0.722 nan 8.360 nan 0.000 0.460 14 S N -0.968 114.705 115.700 -0.044 0.000 2.937 14 S HA 0.228 4.699 4.470 0.001 0.000 0.252 14 S C 0.216 174.793 174.600 -0.039 0.000 1.022 14 S CA -0.624 57.552 58.200 -0.040 0.000 1.079 14 S CB 0.200 63.380 63.200 -0.033 0.000 1.035 14 S HN 0.068 nan 8.310 nan 0.000 0.594 15 V N 3.488 123.377 119.914 -0.042 0.000 2.673 15 V HA 0.369 4.489 4.120 0.001 0.000 0.303 15 V C 1.177 177.229 176.094 -0.071 0.000 1.046 15 V CA 1.509 63.775 62.300 -0.057 0.000 1.126 15 V CB 1.177 32.963 31.823 -0.061 0.000 0.934 15 V HN 0.750 nan 8.190 nan 0.000 0.487 16 T N 2.442 116.948 114.554 -0.081 0.000 3.009 16 T HA 0.381 4.731 4.350 0.001 0.000 0.267 16 T C 0.224 174.864 174.700 -0.101 0.000 0.942 16 T CA -0.269 61.787 62.100 -0.074 0.000 0.883 16 T CB 0.133 68.972 68.868 -0.048 0.000 1.192 16 T HN 0.583 nan 8.240 nan 0.000 0.524 17 K N 1.016 121.318 120.400 -0.162 0.000 2.482 17 K HA 0.520 4.841 4.320 0.001 0.000 0.251 17 K C -1.928 174.453 176.600 -0.364 0.000 0.936 17 K CA -0.803 55.353 56.287 -0.218 0.000 0.791 17 K CB 2.458 34.863 32.500 -0.158 0.000 1.213 17 K HN 0.193 nan 8.250 nan 0.000 0.428 18 F N 3.932 123.550 119.950 -0.555 0.000 2.445 18 F HA 0.184 4.711 4.527 0.001 0.000 0.359 18 F C 0.868 176.449 175.800 -0.365 0.000 1.101 18 F CA 0.211 57.834 58.000 -0.627 0.000 1.177 18 F CB 0.435 38.687 39.000 -1.247 0.000 1.110 18 F HN 0.630 nan 8.300 nan 0.000 0.522 19 H N 5.032 123.701 119.070 -0.668 0.000 2.344 19 H HA 0.168 4.724 4.556 0.001 0.000 0.307 19 H C 0.546 175.382 175.328 -0.820 0.000 1.057 19 H CA 1.190 56.973 56.048 -0.442 0.000 1.373 19 H CB -0.020 29.704 29.762 -0.063 0.000 1.421 19 H HN 0.668 nan 8.280 nan 0.000 0.532 20 C N -1.866 116.820 119.300 -1.023 0.000 3.306 20 C HA 0.847 5.307 4.460 0.001 0.000 0.335 20 C C 0.234 174.792 174.990 -0.721 0.000 1.382 20 C CA -0.423 58.109 59.018 -0.810 0.000 1.254 20 C CB 1.571 29.191 27.740 -0.199 0.000 1.555 20 C HN 0.567 nan 8.230 nan 0.000 0.463 21 G N -0.287 108.434 108.800 -0.133 0.000 2.690 21 G HA2 0.752 4.712 3.960 0.001 0.000 0.293 21 G HA3 0.752 4.712 3.960 0.001 0.000 0.293 21 G C -1.992 173.090 174.900 0.304 0.000 1.399 21 G CA -0.593 44.476 45.100 -0.052 0.000 0.890 21 G HN 1.399 nan 8.290 nan 0.000 0.485 22 V N 1.027 121.162 119.914 0.369 0.000 2.760 22 V HA 0.602 4.722 4.120 0.001 0.000 0.309 22 V C -0.634 175.742 176.094 0.468 0.000 1.077 22 V CA -0.587 61.982 62.300 0.448 0.000 0.910 22 V CB 1.911 33.930 31.823 0.327 0.000 1.008 22 V HN 0.680 nan 8.190 nan 0.000 0.424 23 I N 3.918 124.769 120.570 0.469 0.000 2.533 23 I HA 0.422 4.593 4.170 0.001 0.000 0.290 23 I C -1.633 174.582 176.117 0.163 0.000 1.056 23 I CA -0.765 60.714 61.300 0.298 0.000 1.057 23 I CB 2.186 40.349 38.000 0.272 0.000 1.240 23 I HN 0.669 nan 8.210 nan 0.000 0.423 24 Y N 6.005 126.240 120.300 -0.109 0.000 2.328 24 Y HA 0.395 4.946 4.550 0.001 0.000 0.337 24 Y C -0.706 175.006 175.900 -0.313 0.000 0.966 24 Y CA -0.576 57.273 58.100 -0.418 0.000 1.136 24 Y CB 1.043 39.079 38.460 -0.707 0.000 1.170 24 Y HN 0.442 nan 8.280 nan 0.000 0.470 25 D N 4.829 124.668 120.400 -0.935 0.000 2.303 25 D HA 0.074 4.714 4.640 0.001 0.000 0.236 25 D C 0.104 175.882 176.300 -0.870 0.000 1.068 25 D CA -0.119 53.509 54.000 -0.619 0.000 0.830 25 D CB 0.852 41.449 40.800 -0.339 0.000 1.109 25 D HN 0.725 nan 8.370 nan 0.000 0.496 26 Y N 1.582 121.604 120.300 -0.464 0.000 2.352 26 Y HA -0.207 4.343 4.550 0.001 0.000 0.292 26 Y C 2.619 178.405 175.900 -0.191 0.000 1.136 26 Y CA 1.442 59.389 58.100 -0.254 0.000 1.227 26 Y CB 0.059 38.490 38.460 -0.048 0.000 0.991 26 Y HN 0.445 nan 8.280 nan 0.000 0.545 27 S N -1.685 113.988 115.700 -0.045 0.000 2.428 27 S HA -0.133 4.337 4.470 0.001 0.000 0.230 27 S C 1.800 176.353 174.600 -0.078 0.000 1.014 27 S CA 1.375 59.550 58.200 -0.041 0.000 0.957 27 S CB -0.787 62.387 63.200 -0.043 0.000 0.784 27 S HN 0.502 nan 8.310 nan 0.000 0.499 28 T N -3.099 111.360 114.554 -0.158 0.000 3.010 28 T HA 0.639 4.990 4.350 0.001 0.000 0.257 28 T C 1.024 175.621 174.700 -0.172 0.000 1.020 28 T CA 0.551 62.567 62.100 -0.139 0.000 0.938 28 T CB -0.068 68.719 68.868 -0.135 0.000 1.049 28 T HN 1.319 nan 8.240 nan 0.000 0.522 29 A N 0.792 123.427 122.820 -0.308 0.000 2.822 29 A HA -0.158 4.162 4.320 0.001 0.000 0.287 29 A C 0.051 177.529 177.584 -0.177 0.000 1.479 29 A CA 1.232 53.114 52.037 -0.259 0.000 0.779 29 A CB -2.360 16.643 19.000 0.004 0.000 1.022 29 A HN 0.770 nan 8.150 nan 0.000 0.532 30 E N -1.751 118.222 120.200 -0.379 0.000 2.288 30 E HA 0.614 4.964 4.350 0.001 0.000 0.268 30 E C -1.149 175.345 176.600 -0.176 0.000 0.885 30 E CA -0.836 55.487 56.400 -0.128 0.000 0.767 30 E CB 1.251 30.919 29.700 -0.053 0.000 1.220 30 E HN 0.383 nan 8.360 nan 0.000 0.427 31 Y N 0.308 120.670 120.300 0.102 0.000 2.323 31 Y HA 0.387 4.937 4.550 0.001 0.000 0.331 31 Y C -0.036 175.904 175.900 0.066 0.000 1.092 31 Y CA -0.615 57.565 58.100 0.133 0.000 1.150 31 Y CB 1.382 39.927 38.460 0.141 0.000 1.200 31 Y HN 0.147 nan 8.280 nan 0.000 0.472 32 V N 2.639 122.690 119.914 0.228 0.000 2.531 32 V HA 0.383 4.504 4.120 0.001 0.000 0.301 32 V C -0.584 175.570 176.094 0.100 0.000 1.034 32 V CA -0.920 61.428 62.300 0.080 0.000 0.865 32 V CB 1.906 33.729 31.823 0.001 0.000 0.995 32 V HN 0.790 nan 8.190 nan 0.000 0.424 33 S N 3.848 119.531 115.700 -0.028 0.000 2.508 33 S HA 0.724 5.194 4.470 0.001 0.000 0.284 33 S C -1.197 173.326 174.600 -0.128 0.000 1.192 33 S CA -0.330 57.903 58.200 0.055 0.000 1.070 33 S CB 0.699 63.944 63.200 0.075 0.000 1.004 33 S HN 0.541 nan 8.310 nan 0.000 0.493 34 Y N 1.690 122.086 120.300 0.159 0.000 2.326 34 Y HA 0.448 4.998 4.550 0.001 0.000 0.331 34 Y C 0.772 176.719 175.900 0.079 0.000 0.962 34 Y CA -0.824 57.380 58.100 0.175 0.000 1.167 34 Y CB 0.951 39.605 38.460 0.324 0.000 1.148 34 Y HN 0.470 nan 8.280 nan 0.000 0.463 35 R N 3.911 124.465 120.500 0.089 0.000 2.531 35 R HA 0.283 4.623 4.340 0.001 0.000 0.260 35 R C -1.497 174.762 176.300 -0.069 0.000 1.144 35 R CA -1.782 54.185 56.100 -0.222 0.000 1.171 35 R CB 0.146 30.277 30.300 -0.283 0.000 1.199 35 R HN 0.325 nan 8.270 nan 0.000 0.594 36 P HA -0.236 nan 4.420 nan 0.000 0.216 36 P C 0.770 178.157 177.300 0.145 0.000 1.154 36 P CA 1.826 64.927 63.100 0.002 0.000 0.865 36 P CB -0.033 31.619 31.700 -0.080 0.000 0.789 37 S N -1.668 114.082 115.700 0.083 0.000 2.607 37 S HA -0.020 4.451 4.470 0.001 0.000 0.224 37 S C 1.109 175.794 174.600 0.142 0.000 0.969 37 S CA 0.429 58.694 58.200 0.107 0.000 0.927 37 S CB -0.689 62.551 63.200 0.068 0.000 0.772 37 S HN 0.117 nan 8.310 nan 0.000 0.533 38 D N 0.477 120.999 120.400 0.203 0.000 2.368 38 D HA 0.206 4.847 4.640 0.001 0.000 0.218 38 D C 0.833 177.306 176.300 0.289 0.000 1.112 38 D CA -0.194 53.962 54.000 0.260 0.000 0.834 38 D CB -0.153 40.847 40.800 0.333 0.000 0.953 38 D HN 0.301 nan 8.370 nan 0.000 0.505 39 F N 2.623 122.562 119.950 -0.019 0.000 2.065 39 F HA -0.139 4.388 4.527 0.001 0.000 0.298 39 F C 2.250 177.875 175.800 -0.291 0.000 1.112 39 F CA 1.763 59.522 58.000 -0.401 0.000 1.212 39 F CB -0.730 38.008 39.000 -0.438 0.000 0.975 39 F HN 0.038 nan 8.300 nan 0.000 0.476 40 G N -0.542 108.116 108.800 -0.237 0.000 2.440 40 G HA2 -0.227 3.733 3.960 0.001 0.000 0.218 40 G HA3 -0.227 3.733 3.960 0.001 0.000 0.218 40 G C 1.829 176.596 174.900 -0.222 0.000 1.154 40 G CA 1.083 45.989 45.100 -0.323 0.000 0.767 40 G HN 0.649 nan 8.290 nan 0.000 0.552 41 A N -0.333 122.459 122.820 -0.045 0.000 1.969 41 A HA 0.046 4.367 4.320 0.001 0.000 0.218 41 A C 2.159 179.713 177.584 -0.050 0.000 1.169 41 A CA 1.581 53.648 52.037 0.050 0.000 0.635 41 A CB -0.554 18.586 19.000 0.234 0.000 0.810 41 A HN 0.473 nan 8.150 nan 0.000 0.445 42 Y N 0.736 120.842 120.300 -0.324 0.000 2.145 42 Y HA -0.169 4.381 4.550 0.001 0.000 0.286 42 Y C 1.913 177.499 175.900 -0.524 0.000 1.145 42 Y CA 1.870 59.519 58.100 -0.752 0.000 1.148 42 Y CB -0.355 37.738 38.460 -0.612 0.000 0.981 42 Y HN 0.215 nan 8.280 nan 0.000 0.507 43 L N -0.205 120.635 121.223 -0.639 0.000 2.046 43 L HA -0.227 4.114 4.340 0.001 0.000 0.208 43 L C 2.087 178.756 176.870 -0.335 0.000 1.077 43 L CA 1.524 55.941 54.840 -0.706 0.000 0.747 43 L CB -0.672 40.837 42.059 -0.916 0.000 0.896 43 L HN 0.191 nan 8.230 nan 0.000 0.432 44 D N 0.403 120.648 120.400 -0.258 0.000 2.117 44 D HA -0.158 4.483 4.640 0.001 0.000 0.197 44 D C 2.254 178.483 176.300 -0.118 0.000 0.987 44 D CA 1.529 55.452 54.000 -0.127 0.000 0.829 44 D CB -0.073 40.675 40.800 -0.086 0.000 0.961 44 D HN 0.309 nan 8.370 nan 0.000 0.460 45 A N 0.691 123.404 122.820 -0.180 0.000 1.933 45 A HA -0.115 4.206 4.320 0.001 0.000 0.218 45 A C 2.384 179.864 177.584 -0.174 0.000 1.175 45 A CA 0.882 52.829 52.037 -0.150 0.000 0.628 45 A CB -0.698 18.212 19.000 -0.150 0.000 0.814 45 A HN 0.204 nan 8.150 nan 0.000 0.444 46 L N -0.845 120.224 121.223 -0.256 0.000 2.056 46 L HA -0.166 4.174 4.340 0.001 0.000 0.207 46 L C 2.488 179.341 176.870 -0.028 0.000 1.078 46 L CA 1.499 56.258 54.840 -0.136 0.000 0.749 46 L CB -0.665 41.354 42.059 -0.066 0.000 0.901 46 L HN 0.465 nan 8.230 nan 0.000 0.433 47 E N 0.258 120.467 120.200 0.015 0.000 2.204 47 E HA -0.154 4.197 4.350 0.001 0.000 0.194 47 E C 2.249 178.830 176.600 -0.032 0.000 0.989 47 E CA 0.900 57.299 56.400 -0.002 0.000 0.824 47 E CB -0.039 29.678 29.700 0.030 0.000 0.756 47 E HN 0.483 nan 8.360 nan 0.000 0.477 48 A N 1.382 124.178 122.820 -0.039 0.000 1.929 48 A HA -0.202 4.119 4.320 0.001 0.000 0.216 48 A C 2.061 179.626 177.584 -0.033 0.000 1.176 48 A CA 1.453 53.470 52.037 -0.034 0.000 0.628 48 A CB -0.249 18.731 19.000 -0.034 0.000 0.816 48 A HN 0.105 nan 8.150 nan 0.000 0.444 49 E N 0.132 120.307 120.200 -0.042 0.000 2.077 49 E HA -0.119 4.232 4.350 0.001 0.000 0.193 49 E C 1.765 178.349 176.600 -0.026 0.000 0.989 49 E CA 1.601 57.979 56.400 -0.037 0.000 0.800 49 E CB -0.413 29.256 29.700 -0.051 0.000 0.746 49 E HN 0.246 nan 8.360 nan 0.000 0.452 50 V N 0.743 120.633 119.914 -0.040 0.000 2.407 50 V HA -0.216 3.905 4.120 0.001 0.000 0.248 50 V C 2.336 178.416 176.094 -0.025 0.000 1.055 50 V CA 1.697 63.966 62.300 -0.052 0.000 1.049 50 V CB -0.887 30.881 31.823 -0.092 0.000 0.662 50 V HN 0.440 nan 8.190 nan 0.000 0.455 51 A N 0.108 122.915 122.820 -0.022 0.000 2.015 51 A HA -0.158 4.163 4.320 0.001 0.000 0.219 51 A C 2.278 179.867 177.584 0.008 0.000 1.163 51 A CA 1.261 53.292 52.037 -0.009 0.000 0.646 51 A CB -0.399 18.591 19.000 -0.016 0.000 0.806 51 A HN 0.554 nan 8.150 nan 0.000 0.448 52 R N -1.198 119.307 120.500 0.009 0.000 2.313 52 R HA 0.196 4.537 4.340 0.001 0.000 0.199 52 R C 1.114 177.443 176.300 0.047 0.000 0.958 52 R CA 0.469 56.579 56.100 0.016 0.000 1.047 52 R CB -0.117 30.184 30.300 0.002 0.000 0.955 52 R HN 0.636 nan 8.270 nan 0.000 0.481 53 G N 0.786 109.642 108.800 0.092 0.000 2.182 53 G HA2 -0.239 3.721 3.960 0.001 0.000 0.248 53 G HA3 -0.239 3.721 3.960 0.001 0.000 0.248 53 G C 0.320 175.357 174.900 0.227 0.000 1.042 53 G CA -0.027 45.211 45.100 0.229 0.000 0.775 53 G HN 0.540 nan 8.290 nan 0.000 0.501 54 G N -1.311 107.555 108.800 0.109 0.000 2.543 54 G HA2 0.757 4.718 3.960 0.001 0.000 0.267 54 G HA3 0.757 4.718 3.960 0.001 0.000 0.267 54 G C -0.181 174.736 174.900 0.028 0.000 1.406 54 G CA -0.958 44.173 45.100 0.052 0.000 1.048 54 G HN 0.746 nan 8.290 nan 0.000 0.548 55 L N -0.549 120.647 121.223 -0.045 0.000 2.401 55 L HA 0.536 4.877 4.340 0.001 0.000 0.266 55 L C -0.802 176.011 176.870 -0.095 0.000 0.991 55 L CA -0.560 54.214 54.840 -0.110 0.000 0.818 55 L CB 2.514 44.414 42.059 -0.265 0.000 1.321 55 L HN 0.286 nan 8.230 nan 0.000 0.413 56 I N 2.696 123.218 120.570 -0.079 0.000 2.389 56 I HA 0.416 4.587 4.170 0.001 0.000 0.288 56 I C -0.714 175.348 176.117 -0.091 0.000 0.999 56 I CA -0.837 60.400 61.300 -0.106 0.000 1.129 56 I CB 2.085 40.040 38.000 -0.076 0.000 1.288 56 I HN 0.155 nan 8.210 nan 0.000 0.444 57 V N 6.736 126.562 119.914 -0.146 0.000 2.398 57 V HA 0.476 4.596 4.120 0.001 0.000 0.286 57 V C -0.503 175.535 176.094 -0.093 0.000 1.026 57 V CA -0.385 61.899 62.300 -0.027 0.000 0.868 57 V CB 1.254 33.100 31.823 0.039 0.000 0.982 57 V HN 0.393 nan 8.190 nan 0.000 0.443 58 F N 1.833 121.925 119.950 0.237 0.000 2.611 58 F HA 0.542 5.069 4.527 0.001 0.000 0.324 58 F C -0.123 175.840 175.800 0.272 0.000 1.061 58 F CA -0.942 57.213 58.000 0.259 0.000 0.954 58 F CB 1.818 40.983 39.000 0.274 0.000 1.301 58 F HN 0.525 nan 8.300 nan 0.000 0.482 59 H N 1.441 120.753 119.070 0.404 0.000 2.581 59 H HA 0.299 4.855 4.556 0.001 0.000 0.308 59 H C 0.152 175.623 175.328 0.239 0.000 1.040 59 H CA -0.459 55.746 56.048 0.261 0.000 1.231 59 H CB 0.472 30.354 29.762 0.201 0.000 1.396 59 H HN 0.558 nan 8.280 nan 0.000 0.467 60 N N 2.403 121.062 118.700 -0.068 0.000 2.776 60 N HA -0.157 4.584 4.740 0.001 0.000 0.250 60 N C 1.205 176.780 175.510 0.108 0.000 1.112 60 N CA 1.096 54.134 53.050 -0.020 0.000 0.733 60 N CB -1.145 37.316 38.487 -0.043 0.000 1.097 60 N HN 0.862 nan 8.380 nan 0.000 0.558 61 G N -1.316 107.602 108.800 0.196 0.000 2.448 61 G HA2 -0.216 3.745 3.960 0.001 0.000 0.218 61 G HA3 -0.216 3.745 3.960 0.001 0.000 0.218 61 G C 1.141 176.093 174.900 0.087 0.000 1.135 61 G CA 1.029 46.150 45.100 0.036 0.000 0.784 61 G HN 0.578 nan 8.290 nan 0.000 0.543 62 H N 0.590 119.689 119.070 0.049 0.000 2.352 62 H HA 0.052 4.608 4.556 0.001 0.000 0.299 62 H C 2.465 177.689 175.328 -0.173 0.000 1.097 62 H CA 1.408 57.443 56.048 -0.023 0.000 1.311 62 H CB 0.127 29.953 29.762 0.108 0.000 1.377 62 H HN 0.339 nan 8.280 nan 0.000 0.504 63 K N -1.692 118.732 120.400 0.039 0.000 2.242 63 K HA -0.014 4.306 4.320 0.001 0.000 0.200 63 K C 1.191 177.792 176.600 0.001 0.000 1.050 63 K CA 0.594 56.873 56.287 -0.014 0.000 0.981 63 K CB 0.410 32.930 32.500 0.033 0.000 0.795 63 K HN 0.208 nan 8.250 nan 0.000 0.477 64 Y N 1.384 121.608 120.300 -0.128 0.000 2.763 64 Y HA 0.016 4.567 4.550 0.001 0.000 0.230 64 Y C 1.058 176.839 175.900 -0.200 0.000 1.030 64 Y CA 0.723 58.733 58.100 -0.150 0.000 1.462 64 Y CB -0.111 38.274 38.460 -0.125 0.000 1.299 64 Y HN -0.102 nan 8.280 nan 0.000 0.491 65 D N 0.340 120.531 120.400 -0.347 0.000 2.154 65 D HA -0.246 4.395 4.640 0.001 0.000 0.190 65 D C 2.225 178.209 176.300 -0.526 0.000 1.003 65 D CA 2.594 56.248 54.000 -0.576 0.000 0.849 65 D CB -0.581 39.660 40.800 -0.933 0.000 0.942 65 D HN 0.240 nan 8.370 nan 0.000 0.446 66 V N 0.893 120.525 119.914 -0.469 0.000 2.261 66 V HA -0.176 3.944 4.120 0.001 0.000 0.246 66 V C -0.736 175.239 176.094 -0.199 0.000 1.047 66 V CA 1.895 64.060 62.300 -0.226 0.000 1.015 66 V CB -1.336 30.381 31.823 -0.177 0.000 0.642 66 V HN 0.202 nan 8.190 nan 0.000 0.446 67 P HA -0.078 nan 4.420 nan 0.000 0.217 67 P C 1.662 178.817 177.300 -0.241 0.000 1.151 67 P CA 1.804 64.745 63.100 -0.265 0.000 0.828 67 P CB -0.148 31.378 31.700 -0.291 0.000 0.788 68 A N -0.484 122.112 122.820 -0.373 0.000 1.933 68 A HA -0.157 4.163 4.320 0.001 0.000 0.218 68 A C 2.190 179.658 177.584 -0.192 0.000 1.175 68 A CA 1.395 53.195 52.037 -0.394 0.000 0.628 68 A CB -1.676 16.836 19.000 -0.813 0.000 0.814 68 A HN 0.114 nan 8.150 nan 0.000 0.444 69 L N -0.863 120.293 121.223 -0.112 0.000 2.093 69 L HA -0.144 4.196 4.340 0.001 0.000 0.208 69 L C 2.774 179.680 176.870 0.060 0.000 1.085 69 L CA 1.640 56.497 54.840 0.029 0.000 0.755 69 L CB -0.752 41.361 42.059 0.090 0.000 0.904 69 L HN 0.343 nan 8.230 nan 0.000 0.435 70 T N -0.575 114.019 114.554 0.068 0.000 2.708 70 T HA -0.244 4.106 4.350 0.001 0.000 0.266 70 T C 1.917 176.593 174.700 -0.039 0.000 1.037 70 T CA 1.547 63.645 62.100 -0.004 0.000 1.146 70 T CB -0.074 68.735 68.868 -0.097 0.000 0.865 70 T HN 0.242 nan 8.240 nan 0.000 0.435 71 K N 0.689 121.059 120.400 -0.050 0.000 2.002 71 K HA -0.009 4.311 4.320 0.001 0.000 0.209 71 K C 2.270 178.862 176.600 -0.013 0.000 1.048 71 K CA 1.158 57.419 56.287 -0.044 0.000 0.930 71 K CB -0.306 32.147 32.500 -0.078 0.000 0.714 71 K HN 0.262 nan 8.250 nan 0.000 0.438 72 L N 0.470 121.694 121.223 0.002 0.000 2.083 72 L HA -0.135 4.205 4.340 0.001 0.000 0.209 72 L C 2.632 179.637 176.870 0.224 0.000 1.083 72 L CA 1.080 55.950 54.840 0.051 0.000 0.752 72 L CB -0.523 41.511 42.059 -0.042 0.000 0.899 72 L HN 0.321 nan 8.230 nan 0.000 0.433 73 A N 0.227 123.159 122.820 0.187 0.000 1.902 73 A HA -0.256 4.064 4.320 0.001 0.000 0.217 73 A C 2.312 179.909 177.584 0.021 0.000 1.181 73 A CA 2.056 54.109 52.037 0.026 0.000 0.623 73 A CB -0.359 18.541 19.000 -0.167 0.000 0.818 73 A HN 0.232 nan 8.150 nan 0.000 0.443 74 K N 0.015 120.424 120.400 0.016 0.000 2.025 74 K HA 0.060 4.380 4.320 0.001 0.000 0.207 74 K C 1.786 178.401 176.600 0.024 0.000 1.049 74 K CA 1.351 57.645 56.287 0.012 0.000 0.933 74 K CB -0.588 31.917 32.500 0.008 0.000 0.714 74 K HN 0.433 nan 8.250 nan 0.000 0.438 75 L N 0.314 121.554 121.223 0.029 0.000 2.017 75 L HA -0.198 4.142 4.340 0.001 0.000 0.208 75 L C 2.612 179.505 176.870 0.038 0.000 1.073 75 L CA 1.630 56.484 54.840 0.023 0.000 0.745 75 L CB -0.342 41.720 42.059 0.005 0.000 0.894 75 L HN 0.331 nan 8.230 nan 0.000 0.432 76 Q N -0.738 119.108 119.800 0.077 0.000 2.163 76 Q HA 0.007 4.348 4.340 0.001 0.000 0.198 76 Q C 1.761 177.819 176.000 0.097 0.000 0.954 76 Q CA 0.890 56.753 55.803 0.100 0.000 0.851 76 Q CB 0.344 29.172 28.738 0.151 0.000 0.928 76 Q HN 0.497 nan 8.270 nan 0.000 0.459 77 L N -0.298 120.973 121.223 0.079 0.000 2.858 77 L HA 0.229 4.569 4.340 0.001 0.000 0.251 77 L C 0.067 176.934 176.870 -0.006 0.000 1.149 77 L CA -0.325 54.524 54.840 0.015 0.000 0.955 77 L CB 0.246 42.266 42.059 -0.066 0.000 1.289 77 L HN 0.183 nan 8.230 nan 0.000 0.542 78 N N 2.009 120.713 118.700 0.007 0.000 2.727 78 N HA -0.250 4.490 4.740 0.001 0.000 0.249 78 N C -0.004 175.502 175.510 -0.007 0.000 1.048 78 N CA 0.552 53.605 53.050 0.004 0.000 0.714 78 N CB -0.502 37.988 38.487 0.006 0.000 0.959 78 N HN 0.392 nan 8.380 nan 0.000 0.544 79 R N 0.342 120.829 120.500 -0.022 0.000 2.637 79 R HA 0.299 4.640 4.340 0.001 0.000 0.291 79 R C -0.927 175.368 176.300 -0.009 0.000 0.963 79 R CA -0.621 55.461 56.100 -0.029 0.000 0.901 79 R CB 0.859 31.108 30.300 -0.084 0.000 1.160 79 R HN 0.124 nan 8.270 nan 0.000 0.457 80 E N 3.705 123.919 120.200 0.024 0.000 2.130 80 E HA 0.146 4.496 4.350 0.001 0.000 0.284 80 E C -1.323 175.293 176.600 0.026 0.000 1.018 80 E CA -0.113 56.317 56.400 0.050 0.000 0.817 80 E CB 0.896 30.687 29.700 0.151 0.000 1.078 80 E HN 0.339 nan 8.360 nan 0.000 0.396 81 F N 4.066 123.779 119.950 -0.395 0.000 2.536 81 F HA 0.291 4.818 4.527 0.001 0.000 0.322 81 F C -0.777 174.648 175.800 -0.626 0.000 1.144 81 F CA -0.559 57.228 58.000 -0.354 0.000 0.924 81 F CB 1.015 39.845 39.000 -0.283 0.000 1.181 81 F HN 0.327 nan 8.300 nan 0.000 0.438 82 H N 7.956 126.692 119.070 -0.556 0.000 2.974 82 H HA 0.265 4.821 4.556 0.001 0.000 0.285 82 H C -0.783 174.267 175.328 -0.464 0.000 1.227 82 H CA -0.561 55.260 56.048 -0.378 0.000 1.569 82 H CB 1.422 31.079 29.762 -0.175 0.000 1.648 82 H HN 0.521 nan 8.280 nan 0.000 0.521 83 L N 4.280 125.248 121.223 -0.424 0.000 2.455 83 L HA 0.141 4.481 4.340 0.001 0.000 0.272 83 L C -1.869 174.977 176.870 -0.042 0.000 1.174 83 L CA -1.488 53.209 54.840 -0.238 0.000 0.869 83 L CB 0.140 42.180 42.059 -0.031 0.000 1.130 83 L HN 0.212 nan 8.230 nan 0.000 0.474 84 P HA 0.115 nan 4.420 nan 0.000 0.275 84 P C 0.255 177.234 177.300 -0.536 0.000 1.228 84 P CA -0.532 62.398 63.100 -0.282 0.000 0.786 84 P CB 0.697 32.215 31.700 -0.304 0.000 0.927 85 R N 3.259 123.143 120.500 -1.027 0.000 2.091 85 R HA -0.185 4.155 4.340 0.001 0.000 0.238 85 R C 1.623 177.472 176.300 -0.751 0.000 1.136 85 R CA 1.815 56.909 56.100 -1.677 0.000 0.959 85 R CB -0.293 28.845 30.300 -1.937 0.000 0.856 85 R HN 0.589 nan 8.270 nan 0.000 0.437 86 E N -0.005 119.866 120.200 -0.548 0.000 2.333 86 E HA -0.185 4.166 4.350 0.001 0.000 0.198 86 E C 0.549 177.127 176.600 -0.037 0.000 1.007 86 E CA 1.448 57.685 56.400 -0.271 0.000 0.845 86 E CB -0.424 29.069 29.700 -0.346 0.000 0.766 86 E HN 0.502 nan 8.360 nan 0.000 0.507 87 N N -0.306 118.255 118.700 -0.231 0.000 2.336 87 N HA 0.086 4.827 4.740 0.001 0.000 0.189 87 N C -0.596 174.921 175.510 0.011 0.000 1.113 87 N CA 0.062 53.029 53.050 -0.137 0.000 0.858 87 N CB 0.485 38.849 38.487 -0.204 0.000 0.970 87 N HN 0.104 nan 8.380 nan 0.000 0.471 88 C N 0.856 120.225 119.300 0.114 0.000 2.382 88 C HA 0.578 5.038 4.460 0.001 0.000 0.327 88 C C 0.171 175.413 174.990 0.420 0.000 1.250 88 C CA -1.201 57.993 59.018 0.292 0.000 1.707 88 C CB 0.125 28.135 27.740 0.450 0.000 2.272 88 C HN 0.232 nan 8.230 nan 0.000 0.506 89 I N 2.287 123.041 120.570 0.308 0.000 2.569 89 I HA 0.387 4.557 4.170 0.001 0.000 0.296 89 I C -0.759 175.627 176.117 0.448 0.000 1.028 89 I CA 0.059 61.508 61.300 0.248 0.000 1.082 89 I CB 1.713 39.646 38.000 -0.111 0.000 1.264 89 I HN 0.580 nan 8.210 nan 0.000 0.429 90 D N 3.293 124.020 120.400 0.546 0.000 2.549 90 D HA 0.169 4.809 4.640 0.001 0.000 0.251 90 D C 0.876 177.319 176.300 0.238 0.000 1.153 90 D CA -0.314 53.855 54.000 0.282 0.000 0.861 90 D CB 1.866 42.616 40.800 -0.083 0.000 1.207 90 D HN 0.684 nan 8.370 nan 0.000 0.543 91 T N 1.305 116.016 114.554 0.261 0.000 2.962 91 T HA -0.152 4.199 4.350 0.001 0.000 0.270 91 T C 1.818 176.644 174.700 0.209 0.000 1.088 91 T CA 0.357 62.629 62.100 0.287 0.000 1.127 91 T CB 0.078 69.179 68.868 0.389 0.000 0.883 91 T HN 0.297 nan 8.240 nan 0.000 0.493 92 L N 1.269 122.460 121.223 -0.055 0.000 2.072 92 L HA 0.202 4.543 4.340 0.001 0.000 0.205 92 L C 2.511 179.345 176.870 -0.059 0.000 1.079 92 L CA 1.152 55.879 54.840 -0.189 0.000 0.752 92 L CB -0.731 41.022 42.059 -0.510 0.000 0.906 92 L HN 0.134 nan 8.230 nan 0.000 0.436 93 V N -0.381 119.466 119.914 -0.111 0.000 2.343 93 V HA -0.283 3.837 4.120 0.001 0.000 0.247 93 V C 2.598 178.640 176.094 -0.086 0.000 1.051 93 V CA 1.858 64.058 62.300 -0.168 0.000 1.036 93 V CB -0.494 31.061 31.823 -0.445 0.000 0.654 93 V HN 0.414 nan 8.190 nan 0.000 0.451 94 L N -0.369 120.863 121.223 0.015 0.000 2.046 94 L HA -0.154 4.187 4.340 0.001 0.000 0.208 94 L C 2.633 179.536 176.870 0.055 0.000 1.077 94 L CA 1.673 56.577 54.840 0.106 0.000 0.747 94 L CB -0.425 41.780 42.059 0.244 0.000 0.896 94 L HN 0.347 nan 8.230 nan 0.000 0.432 95 S N -0.469 115.304 115.700 0.122 0.000 2.382 95 S HA -0.172 4.299 4.470 0.001 0.000 0.228 95 S C 1.941 176.617 174.600 0.126 0.000 1.027 95 S CA 1.132 59.450 58.200 0.197 0.000 0.991 95 S CB -0.214 63.146 63.200 0.267 0.000 0.823 95 S HN 0.370 nan 8.310 nan 0.000 0.469 96 R N 0.194 120.735 120.500 0.068 0.000 2.189 96 R HA 0.060 4.401 4.340 0.001 0.000 0.218 96 R C 2.154 178.461 176.300 0.012 0.000 1.074 96 R CA 0.648 56.777 56.100 0.047 0.000 0.991 96 R CB -0.227 30.092 30.300 0.032 0.000 0.883 96 R HN 0.301 nan 8.270 nan 0.000 0.457 97 L N 0.194 121.395 121.223 -0.036 0.000 2.130 97 L HA 0.061 4.402 4.340 0.001 0.000 0.200 97 L C 1.794 178.532 176.870 -0.220 0.000 1.075 97 L CA 1.487 56.279 54.840 -0.080 0.000 0.768 97 L CB -0.076 41.933 42.059 -0.083 0.000 0.933 97 L HN 0.014 nan 8.230 nan 0.000 0.451 98 I N -0.491 119.848 120.570 -0.384 0.000 2.353 98 I HA -0.166 4.004 4.170 0.001 0.000 0.248 98 I C 0.825 176.644 176.117 -0.498 0.000 1.119 98 I CA 0.742 61.670 61.300 -0.619 0.000 1.417 98 I CB -0.334 37.240 38.000 -0.710 0.000 1.078 98 I HN 0.294 nan 8.210 nan 0.000 0.421 99 H N 0.532 119.552 119.070 -0.083 0.000 2.533 99 H HA 0.227 4.783 4.556 0.001 0.000 0.281 99 H C 1.613 176.917 175.328 -0.040 0.000 1.238 99 H CA 0.121 56.139 56.048 -0.051 0.000 1.024 99 H CB 0.243 29.996 29.762 -0.014 0.000 1.604 99 H HN 0.251 nan 8.280 nan 0.000 0.531 100 S N 0.416 116.126 115.700 0.016 0.000 2.500 100 S HA -0.167 4.304 4.470 0.001 0.000 0.239 100 S C 1.621 176.234 174.600 0.021 0.000 0.989 100 S CA 0.748 58.965 58.200 0.029 0.000 0.951 100 S CB -0.084 63.135 63.200 0.031 0.000 0.759 100 S HN 0.543 nan 8.310 nan 0.000 0.523 101 N N 1.468 120.154 118.700 -0.024 0.000 2.467 101 N HA 0.085 4.825 4.740 0.001 0.000 0.184 101 N C 0.310 175.781 175.510 -0.065 0.000 1.106 101 N CA 0.125 53.112 53.050 -0.104 0.000 0.892 101 N CB -0.260 37.998 38.487 -0.380 0.000 0.969 101 N HN 0.430 nan 8.380 nan 0.000 0.454 102 L N 0.232 121.451 121.223 -0.007 0.000 2.334 102 L HA 0.423 4.763 4.340 0.001 0.000 0.270 102 L C 0.481 177.369 176.870 0.029 0.000 1.018 102 L CA -1.029 53.813 54.840 0.003 0.000 0.811 102 L CB 1.358 43.419 42.059 0.002 0.000 1.271 102 L HN -0.187 nan 8.230 nan 0.000 0.443 103 K N 1.068 121.485 120.400 0.029 0.000 2.148 103 K HA 0.495 4.815 4.320 0.001 0.000 0.239 103 K C -1.045 175.593 176.600 0.064 0.000 1.018 103 K CA -0.524 55.790 56.287 0.046 0.000 0.923 103 K CB 1.368 33.894 32.500 0.043 0.000 1.117 103 K HN 0.748 nan 8.250 nan 0.000 0.477 104 D N -3.356 117.091 120.400 0.079 0.000 2.599 104 D HA 0.077 4.718 4.640 0.001 0.000 0.252 104 D C 0.277 176.641 176.300 0.105 0.000 1.232 104 D CA -0.689 53.373 54.000 0.103 0.000 0.819 104 D CB 0.593 41.459 40.800 0.110 0.000 1.401 104 D HN 0.382 nan 8.370 nan 0.000 0.429 105 T N -2.816 111.806 114.554 0.114 0.000 3.160 105 T HA 0.074 4.424 4.350 0.001 0.000 0.257 105 T C 0.489 175.248 174.700 0.098 0.000 1.147 105 T CA 0.675 62.836 62.100 0.101 0.000 1.064 105 T CB -0.659 68.253 68.868 0.075 0.000 0.949 105 T HN 0.694 nan 8.240 nan 0.000 0.526 106 D N 0.914 121.373 120.400 0.098 0.000 2.699 106 D HA -0.209 4.432 4.640 0.001 0.000 0.239 106 D C 0.164 176.504 176.300 0.066 0.000 1.136 106 D CA 0.539 54.596 54.000 0.096 0.000 0.668 106 D CB -1.725 39.165 40.800 0.151 0.000 1.060 106 D HN 0.384 nan 8.370 nan 0.000 0.429 107 M N -1.317 118.318 119.600 0.059 0.000 2.360 107 M HA -0.158 4.322 4.480 0.001 0.000 0.202 107 M C 1.496 177.790 176.300 -0.010 0.000 0.390 107 M CA 1.712 57.031 55.300 0.030 0.000 0.470 107 M CB -2.279 30.323 32.600 0.004 0.000 1.637 107 M HN 1.242 nan 8.290 nan 0.000 0.885 108 G N -1.013 107.785 108.800 -0.003 0.000 2.176 108 G HA2 -0.323 3.637 3.960 0.001 0.000 0.253 108 G HA3 -0.323 3.637 3.960 0.001 0.000 0.253 108 G C 0.733 175.624 174.900 -0.016 0.000 0.979 108 G CA 0.400 45.488 45.100 -0.021 0.000 0.641 108 G HN 0.541 nan 8.290 nan 0.000 0.530 109 L N -0.418 120.800 121.223 -0.008 0.000 2.275 109 L HA 0.269 4.609 4.340 0.001 0.000 0.215 109 L C 1.334 178.225 176.870 0.036 0.000 1.119 109 L CA 0.765 55.577 54.840 -0.046 0.000 0.790 109 L CB -0.168 41.849 42.059 -0.069 0.000 0.919 109 L HN 0.252 nan 8.230 nan 0.000 0.443 110 L N -0.905 120.376 121.223 0.097 0.000 2.342 110 L HA 0.332 4.673 4.340 0.001 0.000 0.271 110 L C 0.112 177.036 176.870 0.090 0.000 1.008 110 L CA -0.750 54.168 54.840 0.129 0.000 0.818 110 L CB 1.848 44.004 42.059 0.161 0.000 1.296 110 L HN -0.251 nan 8.230 nan 0.000 0.427 111 R N 0.558 121.109 120.500 0.086 0.000 2.370 111 R HA 0.098 4.439 4.340 0.001 0.000 0.309 111 R C 1.101 177.457 176.300 0.093 0.000 1.059 111 R CA -0.087 56.059 56.100 0.077 0.000 0.981 111 R CB 0.699 31.038 30.300 0.065 0.000 0.972 111 R HN 0.852 nan 8.270 nan 0.000 0.437 112 S N 2.543 118.314 115.700 0.119 0.000 2.359 112 S HA -0.191 4.279 4.470 0.001 0.000 0.223 112 S C 2.307 176.966 174.600 0.098 0.000 1.039 112 S CA 1.655 59.950 58.200 0.158 0.000 1.042 112 S CB -0.509 62.866 63.200 0.292 0.000 0.915 112 S HN 0.925 nan 8.310 nan 0.000 0.439 113 G N 1.337 110.184 108.800 0.078 0.000 2.479 113 G HA2 -0.246 3.714 3.960 0.001 0.000 0.220 113 G HA3 -0.246 3.714 3.960 0.001 0.000 0.220 113 G C 1.255 176.180 174.900 0.041 0.000 1.115 113 G CA 1.023 46.151 45.100 0.047 0.000 0.757 113 G HN 0.531 nan 8.290 nan 0.000 0.560 114 K N -0.442 119.989 120.400 0.050 0.000 2.365 114 K HA 0.208 4.528 4.320 0.001 0.000 0.197 114 K C 0.572 177.199 176.600 0.044 0.000 1.042 114 K CA -0.283 56.031 56.287 0.046 0.000 0.987 114 K CB -0.112 32.419 32.500 0.053 0.000 0.779 114 K HN 0.231 nan 8.250 nan 0.000 0.484 115 L N 3.562 124.815 121.223 0.049 0.000 2.371 115 L HA 0.255 4.595 4.340 0.001 0.000 0.272 115 L C -1.879 175.009 176.870 0.029 0.000 1.124 115 L CA -1.985 52.881 54.840 0.045 0.000 0.816 115 L CB 0.489 42.582 42.059 0.057 0.000 1.129 115 L HN 0.137 nan 8.230 nan 0.000 0.448 116 P HA 0.383 nan 4.420 nan 0.000 0.279 116 P C -0.005 177.300 177.300 0.008 0.000 1.252 116 P CA 0.075 63.185 63.100 0.016 0.000 0.811 116 P CB 1.504 33.216 31.700 0.020 0.000 1.035 125 L N 0.832 122.008 121.223 -0.079 0.000 2.386 125 L HA 0.505 4.845 4.340 0.001 0.000 0.271 125 L C 0.115 176.936 176.870 -0.081 0.000 0.993 125 L CA -0.806 54.007 54.840 -0.045 0.000 0.819 125 L CB 1.920 43.986 42.059 0.011 0.000 1.294 125 L HN 0.854 nan 8.230 nan 0.000 0.414 126 E N 1.679 121.830 120.200 -0.082 0.000 2.417 126 E HA 0.044 4.394 4.350 0.001 0.000 0.261 126 E C 0.619 177.191 176.600 -0.048 0.000 1.000 126 E CA 0.347 56.662 56.400 -0.142 0.000 0.919 126 E CB 1.723 31.296 29.700 -0.212 0.000 0.955 126 E HN 0.741 nan 8.360 nan 0.000 0.455 127 A N 5.434 128.165 122.820 -0.148 0.000 1.865 127 A HA -0.209 4.112 4.320 0.001 0.000 0.217 127 A C 1.877 179.431 177.584 -0.050 0.000 1.191 127 A CA 1.585 53.514 52.037 -0.181 0.000 0.623 127 A CB -0.861 17.875 19.000 -0.439 0.000 0.826 127 A HN 0.879 nan 8.150 nan 0.000 0.444 128 W N -0.576 120.747 121.300 0.037 0.000 2.358 128 W HA 0.012 4.672 4.660 0.001 0.000 0.303 128 W C 2.567 179.084 176.519 -0.004 0.000 1.208 128 W CA 0.546 57.902 57.345 0.018 0.000 1.274 128 W CB -0.529 28.932 29.460 0.002 0.000 1.138 128 W HN 0.412 nan 8.180 nan 0.000 0.515 129 G N -0.534 108.414 108.800 0.247 0.000 2.422 129 G HA2 -0.359 3.601 3.960 0.001 0.000 0.218 129 G HA3 -0.359 3.601 3.960 0.001 0.000 0.218 129 G C 1.145 176.139 174.900 0.156 0.000 1.146 129 G CA 1.099 46.300 45.100 0.169 0.000 0.769 129 G HN 0.338 nan 8.290 nan 0.000 0.547 130 Y N 1.418 121.755 120.300 0.062 0.000 2.145 130 Y HA -0.076 4.475 4.550 0.001 0.000 0.286 130 Y C 2.946 178.883 175.900 0.062 0.000 1.145 130 Y CA 1.769 59.897 58.100 0.045 0.000 1.148 130 Y CB -0.102 38.358 38.460 -0.001 0.000 0.981 130 Y HN -0.027 nan 8.280 nan 0.000 0.507 131 R N 0.480 121.030 120.500 0.084 0.000 2.083 131 R HA -0.170 4.170 4.340 0.001 0.000 0.237 131 R C 2.373 178.665 176.300 -0.013 0.000 1.137 131 R CA 1.785 57.906 56.100 0.035 0.000 0.951 131 R CB -1.154 29.263 30.300 0.195 0.000 0.851 131 R HN 0.467 nan 8.270 nan 0.000 0.434 132 L N -0.793 120.432 121.223 0.003 0.000 2.042 132 L HA -0.117 4.223 4.340 0.001 0.000 0.210 132 L C 2.446 179.321 176.870 0.008 0.000 1.076 132 L CA 1.582 56.410 54.840 -0.018 0.000 0.749 132 L CB -0.831 41.096 42.059 -0.220 0.000 0.893 132 L HN 0.314 nan 8.230 nan 0.000 0.432 133 G N -0.958 107.829 108.800 -0.021 0.000 2.484 133 G HA2 -0.150 3.811 3.960 0.001 0.000 0.218 133 G HA3 -0.150 3.811 3.960 0.001 0.000 0.218 133 G C 1.389 176.216 174.900 -0.121 0.000 1.130 133 G CA 0.239 45.318 45.100 -0.035 0.000 0.784 133 G HN 0.268 nan 8.290 nan 0.000 0.543 134 E N 0.078 120.146 120.200 -0.220 0.000 2.472 134 E HA 0.145 4.495 4.350 0.001 0.000 0.196 134 E C 2.373 178.935 176.600 -0.064 0.000 1.033 134 E CA -0.234 56.040 56.400 -0.211 0.000 0.886 134 E CB -0.011 29.440 29.700 -0.414 0.000 0.944 134 E HN 0.287 nan 8.360 nan 0.000 0.492 135 M N 0.797 120.395 119.600 -0.003 0.000 2.082 135 M HA -0.192 4.289 4.480 0.001 0.000 0.258 135 M C 1.895 178.195 176.300 0.000 0.000 1.069 135 M CA 1.592 56.931 55.300 0.065 0.000 1.102 135 M CB -0.846 31.830 32.600 0.127 0.000 1.336 135 M HN 0.045 nan 8.290 nan 0.000 0.404 136 K N -0.370 120.067 120.400 0.061 0.000 2.063 136 K HA -0.104 4.216 4.320 0.001 0.000 0.208 136 K C 2.153 178.809 176.600 0.094 0.000 1.048 136 K CA 1.444 57.846 56.287 0.193 0.000 0.928 136 K CB -0.600 32.007 32.500 0.179 0.000 0.713 136 K HN 0.493 nan 8.250 nan 0.000 0.442 137 G N 1.489 110.300 108.800 0.018 0.000 2.408 137 G HA2 -0.245 3.715 3.960 0.001 0.000 0.217 137 G HA3 -0.245 3.715 3.960 0.001 0.000 0.217 137 G C 1.185 176.051 174.900 -0.056 0.000 1.150 137 G CA 0.622 45.709 45.100 -0.021 0.000 0.776 137 G HN 0.333 nan 8.290 nan 0.000 0.542 138 E N -0.647 119.529 120.200 -0.040 0.000 2.072 138 E HA -0.118 4.232 4.350 0.001 0.000 0.190 138 E C 2.110 178.649 176.600 -0.101 0.000 0.982 138 E CA 0.857 57.256 56.400 -0.002 0.000 0.803 138 E CB -0.276 29.512 29.700 0.147 0.000 0.755 138 E HN 0.504 nan 8.360 nan 0.000 0.453 139 Y N 2.446 122.419 120.300 -0.545 0.000 2.165 139 Y HA -0.235 4.315 4.550 0.001 0.000 0.286 139 Y C 2.188 177.851 175.900 -0.395 0.000 1.155 139 Y CA 1.748 59.367 58.100 -0.802 0.000 1.164 139 Y CB -0.100 37.700 38.460 -1.101 0.000 0.978 139 Y HN -0.192 nan 8.280 nan 0.000 0.513 140 K N -0.132 119.955 120.400 -0.522 0.000 2.147 140 K HA -0.182 4.138 4.320 0.001 0.000 0.205 140 K C 1.513 177.884 176.600 -0.382 0.000 1.049 140 K CA 1.814 57.785 56.287 -0.527 0.000 0.936 140 K CB -0.224 32.104 32.500 -0.287 0.000 0.722 140 K HN 0.359 nan 8.250 nan 0.000 0.446 141 D N 0.955 121.202 120.400 -0.255 0.000 2.149 141 D HA -0.108 4.532 4.640 0.001 0.000 0.201 141 D C 1.364 177.567 176.300 -0.162 0.000 0.972 141 D CA 1.096 54.981 54.000 -0.191 0.000 0.835 141 D CB -0.125 40.611 40.800 -0.107 0.000 0.966 141 D HN 0.263 nan 8.370 nan 0.000 0.476 142 D N -0.061 120.270 120.400 -0.114 0.000 2.117 142 D HA -0.112 4.528 4.640 0.001 0.000 0.198 142 D C 1.707 177.932 176.300 -0.126 0.000 0.982 142 D CA 0.394 54.361 54.000 -0.056 0.000 0.828 142 D CB -0.366 40.495 40.800 0.101 0.000 0.967 142 D HN 0.114 nan 8.370 nan 0.000 0.464 143 F N 1.657 121.360 119.950 -0.412 0.000 2.075 143 F HA -0.147 4.380 4.527 0.001 0.000 0.297 143 F C 2.031 177.628 175.800 -0.340 0.000 1.113 143 F CA 1.447 59.178 58.000 -0.448 0.000 1.218 143 F CB 0.060 38.612 39.000 -0.746 0.000 0.984 143 F HN -0.201 nan 8.300 nan 0.000 0.472 144 K N 0.115 120.371 120.400 -0.241 0.000 2.032 144 K HA -0.240 4.080 4.320 0.001 0.000 0.209 144 K C 2.152 178.599 176.600 -0.256 0.000 1.048 144 K CA 2.057 58.140 56.287 -0.339 0.000 0.927 144 K CB -0.334 31.859 32.500 -0.511 0.000 0.712 144 K HN 0.397 nan 8.250 nan 0.000 0.441 145 R N 0.570 120.942 120.500 -0.213 0.000 2.148 145 R HA -0.017 4.323 4.340 0.001 0.000 0.227 145 R C 2.091 178.289 176.300 -0.170 0.000 1.103 145 R CA 1.243 57.246 56.100 -0.161 0.000 0.983 145 R CB -0.358 29.869 30.300 -0.121 0.000 0.874 145 R HN 0.102 nan 8.270 nan 0.000 0.451 146 M N 0.779 120.247 119.600 -0.221 0.000 2.229 146 M HA -0.044 4.437 4.480 0.001 0.000 0.264 146 M C 2.055 178.199 176.300 -0.260 0.000 1.063 146 M CA 1.444 56.603 55.300 -0.236 0.000 1.114 146 M CB -0.156 32.271 32.600 -0.288 0.000 1.387 146 M HN 0.198 nan 8.290 nan 0.000 0.420 147 L N -0.272 120.764 121.223 -0.311 0.000 2.007 147 L HA -0.152 4.189 4.340 0.001 0.000 0.205 147 L C 2.242 179.024 176.870 -0.146 0.000 1.073 147 L CA 1.290 55.979 54.840 -0.252 0.000 0.744 147 L CB -0.590 41.326 42.059 -0.238 0.000 0.898 147 L HN 0.278 nan 8.230 nan 0.000 0.435 148 E N 0.111 120.237 120.200 -0.122 0.000 2.209 148 E HA -0.243 4.107 4.350 0.001 0.000 0.196 148 E C 1.865 178.417 176.600 -0.079 0.000 0.993 148 E CA 1.011 57.362 56.400 -0.083 0.000 0.819 148 E CB -0.023 29.630 29.700 -0.078 0.000 0.745 148 E HN 0.528 nan 8.360 nan 0.000 0.477 149 E N 0.263 120.406 120.200 -0.096 0.000 2.347 149 E HA -0.105 4.246 4.350 0.001 0.000 0.196 149 E C 1.347 177.902 176.600 -0.075 0.000 1.008 149 E CA 0.461 56.812 56.400 -0.081 0.000 0.852 149 E CB 0.237 29.885 29.700 -0.088 0.000 0.783 149 E HN 0.148 nan 8.360 nan 0.000 0.505 150 Q N -0.647 119.101 119.800 -0.087 0.000 2.220 150 Q HA 0.128 4.468 4.340 0.001 0.000 0.205 150 Q C 0.887 176.851 176.000 -0.060 0.000 0.865 150 Q CA 0.411 56.168 55.803 -0.076 0.000 0.960 150 Q CB 1.242 29.923 28.738 -0.095 0.000 1.097 150 Q HN 0.360 nan 8.270 nan 0.000 0.493 151 G N 1.452 110.220 108.800 -0.054 0.000 2.168 151 G HA2 -0.299 3.662 3.960 0.001 0.000 0.257 151 G HA3 -0.299 3.662 3.960 0.001 0.000 0.257 151 G C -0.154 174.726 174.900 -0.035 0.000 0.997 151 G CA 0.384 45.460 45.100 -0.039 0.000 0.708 151 G HN 0.371 nan 8.290 nan 0.000 0.520 152 E N 0.463 120.636 120.200 -0.046 0.000 2.216 152 E HA 0.406 4.756 4.350 0.001 0.000 0.279 152 E C 0.212 176.802 176.600 -0.017 0.000 0.997 152 E CA -0.581 55.797 56.400 -0.036 0.000 0.817 152 E CB 1.058 30.724 29.700 -0.057 0.000 1.096 152 E HN 0.495 nan 8.360 nan 0.000 0.393 153 E N 1.682 121.884 120.200 0.003 0.000 2.366 153 E HA 0.035 4.385 4.350 0.001 0.000 0.266 153 E C -0.951 175.681 176.600 0.053 0.000 1.051 153 E CA -0.123 56.293 56.400 0.028 0.000 0.884 153 E CB 0.783 30.495 29.700 0.020 0.000 1.006 153 E HN 0.387 nan 8.360 nan 0.000 0.417 154 Y N 1.925 122.198 120.300 -0.046 0.000 2.320 154 Y HA 0.328 4.878 4.550 0.001 0.000 0.324 154 Y C -0.814 175.064 175.900 -0.036 0.000 1.190 154 Y CA -0.589 57.479 58.100 -0.053 0.000 1.215 154 Y CB 0.881 39.304 38.460 -0.061 0.000 1.221 154 Y HN 0.154 nan 8.280 nan 0.000 0.486 155 V N 6.080 125.397 119.914 -0.996 0.000 2.540 155 V HA 0.200 4.320 4.120 0.001 0.000 0.302 155 V C 0.199 175.707 176.094 -0.977 0.000 1.035 155 V CA -0.838 61.056 62.300 -0.677 0.000 0.873 155 V CB 1.459 33.127 31.823 -0.259 0.000 0.992 155 V HN 0.996 nan 8.190 nan 0.000 0.428 156 D N 3.663 123.816 120.400 -0.411 0.000 2.632 156 D HA -0.275 4.365 4.640 0.001 0.000 0.588 156 D C 1.360 177.548 176.300 -0.187 0.000 0.941 156 D CA 2.913 56.812 54.000 -0.168 0.000 1.653 156 D CB -0.313 40.481 40.800 -0.009 0.000 0.356 156 D HN 0.959 nan 8.370 nan 0.000 0.482 157 G N -1.325 107.329 108.800 -0.243 0.000 4.917 157 G HA2 0.370 4.330 3.960 0.001 0.000 0.244 157 G HA3 0.370 4.330 3.960 0.001 0.000 0.244 157 G C 0.748 175.252 174.900 -0.659 0.000 1.072 157 G CA 0.320 45.304 45.100 -0.192 0.000 0.850 157 G HN 0.321 nan 8.290 nan 0.000 0.559 158 M N -0.170 118.669 119.600 -1.268 0.000 2.446 158 M HA 0.012 4.492 4.480 0.001 0.000 0.263 158 M C 1.929 177.423 176.300 -1.344 0.000 1.066 158 M CA 1.512 55.498 55.300 -2.191 0.000 1.087 158 M CB -0.288 31.237 32.600 -1.791 0.000 1.406 158 M HN 0.228 nan 8.290 nan 0.000 0.459 159 E N 0.707 120.173 120.200 -1.224 0.000 2.333 159 E HA -0.209 4.141 4.350 0.001 0.000 0.198 159 E C 0.775 176.704 176.600 -1.118 0.000 1.007 159 E CA 1.348 56.629 56.400 -1.866 0.000 0.845 159 E CB -0.707 27.828 29.700 -1.943 0.000 0.766 159 E HN 0.875 nan 8.360 nan 0.000 0.507 160 W N -0.829 120.239 121.300 -0.387 0.000 3.220 160 W HA 0.230 4.890 4.660 0.001 0.000 0.328 160 W C 1.227 177.892 176.519 0.243 0.000 1.205 160 W CA -1.037 56.298 57.345 -0.017 0.000 1.773 160 W CB 0.087 29.577 29.460 0.050 0.000 1.086 160 W HN -0.024 nan 8.180 nan 0.000 0.622 161 W N 0.774 122.164 121.300 0.151 0.000 2.418 161 W HA 0.027 4.687 4.660 0.001 0.000 0.292 161 W C 0.435 177.048 176.519 0.157 0.000 1.213 161 W CA 0.649 58.090 57.345 0.160 0.000 1.283 161 W CB -1.091 28.410 29.460 0.068 0.000 1.119 161 W HN -0.259 nan 8.180 nan 0.000 0.542 162 N N -0.927 117.880 118.700 0.179 0.000 2.321 162 N HA 0.142 4.882 4.740 0.001 0.000 0.290 162 N C -1.339 173.970 175.510 -0.335 0.000 1.212 162 N CA -0.780 52.271 53.050 0.002 0.000 0.767 162 N CB 1.979 40.534 38.487 0.114 0.000 1.494 162 N HN -0.264 nan 8.380 nan 0.000 0.479 163 F N 2.059 121.744 119.950 -0.442 0.000 2.429 163 F HA 0.333 4.861 4.527 0.001 0.000 0.348 163 F C -0.047 175.673 175.800 -0.134 0.000 1.109 163 F CA -0.192 57.585 58.000 -0.371 0.000 1.232 163 F CB 0.324 39.218 39.000 -0.177 0.000 1.157 163 F HN 0.612 nan 8.300 nan 0.000 0.564 164 N N 2.024 119.997 118.700 -1.211 0.000 2.708 164 N HA 0.227 4.967 4.740 0.001 0.000 0.257 164 N C -0.331 174.573 175.510 -1.010 0.000 1.373 164 N CA -0.734 51.776 53.050 -0.901 0.000 0.843 164 N CB 0.779 39.099 38.487 -0.279 0.000 1.503 164 N HN 0.409 nan 8.380 nan 0.000 0.504 165 E N 0.088 119.963 120.200 -0.542 0.000 2.204 165 E HA -0.190 4.160 4.350 0.001 0.000 0.194 165 E C 0.974 177.492 176.600 -0.136 0.000 0.989 165 E CA 1.264 57.496 56.400 -0.281 0.000 0.824 165 E CB -0.091 29.534 29.700 -0.124 0.000 0.756 165 E HN 0.898 nan 8.360 nan 0.000 0.477 166 E N 0.189 120.347 120.200 -0.069 0.000 2.285 166 E HA -0.097 4.253 4.350 0.001 0.000 0.194 166 E C 2.111 178.781 176.600 0.118 0.000 0.997 166 E CA 0.511 56.957 56.400 0.077 0.000 0.845 166 E CB -0.221 29.598 29.700 0.198 0.000 0.782 166 E HN 0.146 nan 8.360 nan 0.000 0.491 167 M N 0.142 119.685 119.600 -0.095 0.000 2.156 167 M HA -0.053 4.428 4.480 0.001 0.000 0.264 167 M C 2.236 178.494 176.300 -0.070 0.000 1.067 167 M CA 1.272 56.371 55.300 -0.335 0.000 1.131 167 M CB 0.025 32.358 32.600 -0.445 0.000 1.368 167 M HN 0.284 nan 8.290 nan 0.000 0.416 168 M N 1.075 120.675 119.600 -0.000 0.000 2.117 168 M HA -0.228 4.252 4.480 0.001 0.000 0.262 168 M C 1.274 177.615 176.300 0.069 0.000 1.065 168 M CA 2.010 57.396 55.300 0.143 0.000 1.114 168 M CB -0.518 32.218 32.600 0.228 0.000 1.361 168 M HN 0.244 nan 8.290 nan 0.000 0.408 169 D N -1.156 119.251 120.400 0.011 0.000 2.144 169 D HA -0.180 4.461 4.640 0.001 0.000 0.199 169 D C 1.873 178.118 176.300 -0.092 0.000 0.984 169 D CA 1.506 55.471 54.000 -0.059 0.000 0.834 169 D CB -0.443 40.288 40.800 -0.116 0.000 0.955 169 D HN 0.459 nan 8.370 nan 0.000 0.465 170 Y N 1.174 121.442 120.300 -0.053 0.000 2.293 170 Y HA -0.098 4.453 4.550 0.001 0.000 0.291 170 Y C 2.228 178.122 175.900 -0.010 0.000 1.137 170 Y CA 0.983 59.058 58.100 -0.042 0.000 1.202 170 Y CB -0.374 38.020 38.460 -0.109 0.000 0.990 170 Y HN 0.024 nan 8.280 nan 0.000 0.537 171 N N -0.453 118.331 118.700 0.141 0.000 2.120 171 N HA -0.174 4.566 4.740 0.001 0.000 0.188 171 N C 1.756 177.336 175.510 0.117 0.000 1.024 171 N CA 1.241 54.371 53.050 0.133 0.000 0.852 171 N CB -0.087 38.474 38.487 0.124 0.000 1.003 171 N HN 0.068 nan 8.380 nan 0.000 0.424 172 V N 1.305 121.258 119.914 0.065 0.000 2.295 172 V HA -0.209 3.911 4.120 0.001 0.000 0.246 172 V C 2.515 178.583 176.094 -0.043 0.000 1.049 172 V CA 1.481 63.785 62.300 0.007 0.000 1.024 172 V CB -0.627 31.151 31.823 -0.074 0.000 0.648 172 V HN 0.415 nan 8.190 nan 0.000 0.447 173 Q N -0.331 119.435 119.800 -0.056 0.000 2.135 173 Q HA -0.237 4.104 4.340 0.001 0.000 0.204 173 Q C 2.095 178.102 176.000 0.010 0.000 0.981 173 Q CA 1.786 57.554 55.803 -0.058 0.000 0.856 173 Q CB -0.542 28.145 28.738 -0.085 0.000 0.902 173 Q HN 0.648 nan 8.270 nan 0.000 0.425 174 D N -0.422 120.022 120.400 0.074 0.000 2.117 174 D HA -0.116 4.525 4.640 0.001 0.000 0.197 174 D C 2.007 178.358 176.300 0.084 0.000 0.987 174 D CA 0.862 54.920 54.000 0.098 0.000 0.829 174 D CB -0.011 40.879 40.800 0.148 0.000 0.961 174 D HN 0.070 nan 8.370 nan 0.000 0.460 175 V N 0.640 120.625 119.914 0.119 0.000 2.427 175 V HA -0.167 3.954 4.120 0.001 0.000 0.248 175 V C 2.644 178.795 176.094 0.095 0.000 1.051 175 V CA 0.785 63.178 62.300 0.156 0.000 1.048 175 V CB -0.269 31.724 31.823 0.282 0.000 0.666 175 V HN 0.043 nan 8.190 nan 0.000 0.456 176 V N -0.215 119.718 119.914 0.032 0.000 2.343 176 V HA -0.217 3.903 4.120 0.001 0.000 0.247 176 V C 2.398 178.378 176.094 -0.189 0.000 1.051 176 V CA 1.981 64.237 62.300 -0.073 0.000 1.036 176 V CB -0.365 31.357 31.823 -0.169 0.000 0.654 176 V HN 0.418 nan 8.190 nan 0.000 0.451 177 V N -0.427 119.387 119.914 -0.166 0.000 2.453 177 V HA -0.208 3.913 4.120 0.001 0.000 0.247 177 V C 2.527 178.440 176.094 -0.302 0.000 1.048 177 V CA 2.355 64.482 62.300 -0.288 0.000 1.049 177 V CB -0.805 30.994 31.823 -0.040 0.000 0.672 177 V HN 0.599 nan 8.190 nan 0.000 0.457 178 T N -0.340 114.133 114.554 -0.136 0.000 2.788 178 T HA -0.223 4.128 4.350 0.001 0.000 0.268 178 T C 1.945 176.592 174.700 -0.087 0.000 1.044 178 T CA 1.722 63.781 62.100 -0.069 0.000 1.139 178 T CB -0.161 68.743 68.868 0.060 0.000 0.867 178 T HN 0.468 nan 8.240 nan 0.000 0.454 179 K N 1.069 121.391 120.400 -0.130 0.000 2.057 179 K HA -0.001 4.320 4.320 0.001 0.000 0.206 179 K C 2.489 178.968 176.600 -0.201 0.000 1.050 179 K CA 1.169 57.372 56.287 -0.140 0.000 0.935 179 K CB -0.282 32.044 32.500 -0.290 0.000 0.715 179 K HN 0.272 nan 8.250 nan 0.000 0.439 180 A N 1.776 124.355 122.820 -0.400 0.000 1.902 180 A HA -0.134 4.186 4.320 0.001 0.000 0.217 180 A C 2.137 179.411 177.584 -0.517 0.000 1.181 180 A CA 1.127 52.808 52.037 -0.594 0.000 0.623 180 A CB -0.617 17.631 19.000 -1.254 0.000 0.818 180 A HN 0.418 nan 8.150 nan 0.000 0.443 181 L N -0.933 120.006 121.223 -0.474 0.000 1.994 181 L HA -0.165 4.175 4.340 0.001 0.000 0.208 181 L C 2.538 179.413 176.870 0.007 0.000 1.071 181 L CA 1.908 56.671 54.840 -0.129 0.000 0.745 181 L CB -0.376 41.684 42.059 0.002 0.000 0.892 181 L HN 0.481 nan 8.230 nan 0.000 0.431 182 L N 0.490 121.714 121.223 0.001 0.000 1.978 182 L HA -0.311 4.029 4.340 0.001 0.000 0.218 182 L C 2.330 179.199 176.870 -0.001 0.000 1.075 182 L CA 2.110 56.972 54.840 0.036 0.000 0.767 182 L CB -0.643 41.453 42.059 0.062 0.000 0.890 182 L HN 0.287 nan 8.230 nan 0.000 0.434 183 E N -0.803 119.394 120.200 -0.004 0.000 2.204 183 E HA -0.267 4.084 4.350 0.001 0.000 0.195 183 E C 2.143 178.759 176.600 0.026 0.000 0.990 183 E CA 1.215 57.616 56.400 0.001 0.000 0.821 183 E CB -0.162 29.552 29.700 0.022 0.000 0.750 183 E HN 0.514 nan 8.360 nan 0.000 0.477 184 K N 1.016 121.453 120.400 0.061 0.000 2.057 184 K HA -0.120 4.200 4.320 0.001 0.000 0.206 184 K C 2.057 178.735 176.600 0.131 0.000 1.050 184 K CA 0.800 57.169 56.287 0.138 0.000 0.935 184 K CB 0.035 32.680 32.500 0.241 0.000 0.715 184 K HN 0.072 nan 8.250 nan 0.000 0.439 185 L N 0.962 122.251 121.223 0.110 0.000 2.056 185 L HA -0.153 4.188 4.340 0.001 0.000 0.207 185 L C 2.287 179.172 176.870 0.025 0.000 1.078 185 L CA 0.934 55.833 54.840 0.098 0.000 0.749 185 L CB -0.331 41.796 42.059 0.114 0.000 0.901 185 L HN 0.205 nan 8.230 nan 0.000 0.433 186 L N -0.232 120.882 121.223 -0.181 0.000 2.456 186 L HA -0.127 4.213 4.340 0.001 0.000 0.224 186 L C 2.523 179.341 176.870 -0.087 0.000 1.148 186 L CA 1.025 55.581 54.840 -0.472 0.000 0.825 186 L CB -0.501 41.282 42.059 -0.459 0.000 0.937 186 L HN 0.391 nan 8.230 nan 0.000 0.450 187 S N -2.489 113.235 115.700 0.039 0.000 2.603 187 S HA -0.068 4.402 4.470 0.001 0.000 0.220 187 S C 0.804 175.495 174.600 0.153 0.000 0.967 187 S CA -0.262 57.998 58.200 0.099 0.000 0.920 187 S CB -0.272 62.985 63.200 0.095 0.000 0.773 187 S HN 0.287 nan 8.310 nan 0.000 0.529 188 D N 2.715 123.241 120.400 0.209 0.000 2.374 188 D HA 0.127 4.768 4.640 0.001 0.000 0.240 188 D C 0.993 177.460 176.300 0.278 0.000 1.229 188 D CA -0.137 54.007 54.000 0.241 0.000 0.895 188 D CB 1.158 42.118 40.800 0.267 0.000 1.046 188 D HN 0.418 nan 8.370 nan 0.000 0.498 189 K N 3.014 123.529 120.400 0.191 0.000 2.442 189 K HA -0.190 4.130 4.320 0.001 0.000 0.198 189 K C 1.537 178.177 176.600 0.066 0.000 1.042 189 K CA 1.249 57.622 56.287 0.143 0.000 0.958 189 K CB -0.418 32.151 32.500 0.114 0.000 0.766 189 K HN 0.428 nan 8.250 nan 0.000 0.474 190 H N -0.925 118.117 119.070 -0.048 0.000 2.423 190 H HA -0.040 4.517 4.556 0.001 0.000 0.297 190 H C 0.614 175.635 175.328 -0.511 0.000 1.075 190 H CA 1.741 57.619 56.048 -0.283 0.000 1.342 190 H CB 0.118 29.620 29.762 -0.434 0.000 1.395 190 H HN 0.335 nan 8.280 nan 0.000 0.530 191 Y N -1.859 118.333 120.300 -0.180 0.000 2.524 191 Y HA 0.217 4.767 4.550 0.001 0.000 0.270 191 Y C -0.254 175.080 175.900 -0.944 0.000 1.094 191 Y CA -0.193 57.581 58.100 -0.543 0.000 1.276 191 Y CB 0.638 38.736 38.460 -0.603 0.000 1.130 191 Y HN -0.001 nan 8.280 nan 0.000 0.536 192 F N 0.915 120.797 119.950 -0.112 0.000 2.577 192 F HA 0.450 4.977 4.527 0.001 0.000 0.344 192 F C -2.658 173.140 175.800 -0.003 0.000 1.145 192 F CA -3.356 54.457 58.000 -0.311 0.000 0.996 192 F CB 1.093 39.739 39.000 -0.589 0.000 1.248 192 F HN -0.291 nan 8.300 nan 0.000 0.447 193 P HA 0.005 nan 4.420 nan 0.000 0.261 193 P C -1.989 175.469 177.300 0.263 0.000 1.183 193 P CA -0.617 62.608 63.100 0.208 0.000 0.761 193 P CB 0.480 32.288 31.700 0.180 0.000 0.785 194 P HA -0.185 nan 4.420 nan 0.000 0.219 194 P C 0.838 178.199 177.300 0.101 0.000 1.146 194 P CA 1.362 64.545 63.100 0.139 0.000 0.808 194 P CB -0.029 31.730 31.700 0.098 0.000 0.779 195 E N -0.875 119.370 120.200 0.075 0.000 2.401 195 E HA -0.041 4.309 4.350 0.001 0.000 0.199 195 E C 0.597 177.186 176.600 -0.019 0.000 1.023 195 E CA 0.620 57.036 56.400 0.026 0.000 0.859 195 E CB -0.494 29.215 29.700 0.014 0.000 0.780 195 E HN 0.346 nan 8.360 nan 0.000 0.523 196 I N 0.829 121.386 120.570 -0.022 0.000 2.474 196 I HA 0.165 4.335 4.170 0.001 0.000 0.294 196 I C -0.406 175.598 176.117 -0.188 0.000 1.005 196 I CA -1.064 60.103 61.300 -0.223 0.000 1.113 196 I CB 1.660 39.314 38.000 -0.577 0.000 1.289 196 I HN -0.204 nan 8.210 nan 0.000 0.436 197 D N 5.682 125.953 120.400 -0.216 0.000 2.441 197 D HA 0.168 4.809 4.640 0.001 0.000 0.221 197 D C 0.456 176.633 176.300 -0.205 0.000 1.156 197 D CA -0.196 53.733 54.000 -0.119 0.000 0.896 197 D CB 0.463 41.205 40.800 -0.097 0.000 1.028 197 D HN 0.290 nan 8.370 nan 0.000 0.509 198 F N 1.242 121.128 119.950 -0.106 0.000 2.722 198 F HA -0.058 4.470 4.527 0.001 0.000 0.298 198 F C 2.470 178.212 175.800 -0.097 0.000 1.175 198 F CA 0.882 58.834 58.000 -0.080 0.000 1.462 198 F CB -0.062 38.842 39.000 -0.160 0.000 1.111 198 F HN 0.381 nan 8.300 nan 0.000 0.592 199 T N -4.673 109.807 114.554 -0.124 0.000 3.107 199 T HA 0.040 4.390 4.350 0.001 0.000 0.249 199 T C 0.682 175.200 174.700 -0.303 0.000 1.096 199 T CA 0.304 62.166 62.100 -0.398 0.000 1.012 199 T CB -0.113 68.234 68.868 -0.868 0.000 0.977 199 T HN 0.101 nan 8.240 nan 0.000 0.527 200 D N 1.316 121.610 120.400 -0.176 0.000 2.804 200 D HA 0.314 4.954 4.640 0.001 0.000 0.308 200 D C -0.260 175.971 176.300 -0.115 0.000 1.371 200 D CA -0.426 53.497 54.000 -0.128 0.000 0.823 200 D CB 0.795 41.530 40.800 -0.108 0.000 1.126 200 D HN 0.399 nan 8.370 nan 0.000 0.467 201 V N -2.736 117.118 119.914 -0.100 0.000 3.078 201 V HA 0.975 5.096 4.120 0.001 0.000 0.311 201 V C 0.761 176.824 176.094 -0.053 0.000 1.138 201 V CA -0.710 61.534 62.300 -0.094 0.000 1.007 201 V CB 1.302 33.040 31.823 -0.141 0.000 1.045 201 V HN 0.017 nan 8.190 nan 0.000 0.432 202 G N 0.777 109.538 108.800 -0.065 0.000 2.651 202 G HA2 0.293 4.254 3.960 0.001 0.000 0.260 202 G HA3 0.293 4.254 3.960 0.001 0.000 0.260 202 G C 0.201 175.075 174.900 -0.044 0.000 1.216 202 G CA 0.282 45.347 45.100 -0.057 0.000 0.913 202 G HN 1.423 nan 8.290 nan 0.000 0.535 203 Y N -1.255 119.021 120.300 -0.041 0.000 2.181 203 Y HA -0.098 4.453 4.550 0.001 0.000 0.288 203 Y C 2.640 178.572 175.900 0.053 0.000 1.146 203 Y CA 1.946 60.008 58.100 -0.063 0.000 1.164 203 Y CB -1.068 37.412 38.460 0.033 0.000 0.982 203 Y HN 0.323 nan 8.280 nan 0.000 0.515 204 T N 0.186 114.395 114.554 -0.576 0.000 2.746 204 T HA -0.179 4.171 4.350 0.001 0.000 0.267 204 T C 1.695 176.392 174.700 -0.005 0.000 1.039 204 T CA 2.171 64.126 62.100 -0.241 0.000 1.142 204 T CB -0.633 67.998 68.868 -0.396 0.000 0.866 204 T HN 0.564 nan 8.240 nan 0.000 0.444 205 T N 1.634 116.153 114.554 -0.058 0.000 2.777 205 T HA -0.010 4.340 4.350 0.001 0.000 0.266 205 T C 1.535 176.277 174.700 0.069 0.000 1.040 205 T CA 0.829 62.919 62.100 -0.017 0.000 1.141 205 T CB -0.514 68.302 68.868 -0.086 0.000 0.868 205 T HN 0.348 nan 8.240 nan 0.000 0.444 206 F N 0.532 120.428 119.950 -0.090 0.000 2.091 206 F HA -0.151 4.377 4.527 0.001 0.000 0.299 206 F C 1.843 177.645 175.800 0.003 0.000 1.103 206 F CA 1.330 59.309 58.000 -0.035 0.000 1.228 206 F CB -0.453 38.330 39.000 -0.362 0.000 0.984 206 F HN 0.254 nan 8.300 nan 0.000 0.477 207 W N 0.047 121.610 121.300 0.438 0.000 2.409 207 W HA -0.115 4.546 4.660 0.001 0.000 0.299 207 W C 2.927 179.540 176.519 0.158 0.000 1.203 207 W CA 1.037 58.555 57.345 0.289 0.000 1.298 207 W CB -0.912 28.706 29.460 0.265 0.000 1.127 207 W HN 0.114 nan 8.180 nan 0.000 0.528 208 S N -0.305 115.593 115.700 0.330 0.000 2.436 208 S HA -0.095 4.375 4.470 0.001 0.000 0.228 208 S C 1.459 176.149 174.600 0.150 0.000 1.014 208 S CA 0.990 59.314 58.200 0.207 0.000 0.950 208 S CB -0.254 63.032 63.200 0.143 0.000 0.784 208 S HN 0.149 nan 8.310 nan 0.000 0.504 209 E N 1.933 122.226 120.200 0.156 0.000 2.400 209 E HA 0.146 4.496 4.350 0.001 0.000 0.195 209 E C 0.917 177.643 176.600 0.209 0.000 1.012 209 E CA 0.397 56.896 56.400 0.165 0.000 0.875 209 E CB 0.327 30.098 29.700 0.118 0.000 0.859 209 E HN 0.739 nan 8.360 nan 0.000 0.498 210 S N 0.495 116.260 115.700 0.108 0.000 2.672 210 S HA 0.327 4.797 4.470 0.001 0.000 0.276 210 S C 0.301 174.818 174.600 -0.139 0.000 1.207 210 S CA -0.907 57.169 58.200 -0.205 0.000 1.002 210 S CB 1.453 64.341 63.200 -0.520 0.000 0.998 210 S HN 0.054 nan 8.310 nan 0.000 0.542 211 L N 1.603 122.666 121.223 -0.268 0.000 2.543 211 L HA 0.123 4.463 4.340 0.001 0.000 0.285 211 L C 1.853 178.734 176.870 0.017 0.000 1.236 211 L CA 0.590 55.341 54.840 -0.148 0.000 0.871 211 L CB -0.132 41.773 42.059 -0.257 0.000 1.121 211 L HN 1.034 nan 8.230 nan 0.000 0.501 212 E N 3.060 123.317 120.200 0.094 0.000 2.114 212 E HA -0.301 4.049 4.350 0.001 0.000 0.199 212 E C 1.703 178.445 176.600 0.237 0.000 1.008 212 E CA 1.601 58.123 56.400 0.203 0.000 0.810 212 E CB 0.018 29.888 29.700 0.284 0.000 0.739 212 E HN 0.902 nan 8.360 nan 0.000 0.456 213 A N 0.373 123.324 122.820 0.218 0.000 1.978 213 A HA -0.170 4.150 4.320 0.001 0.000 0.220 213 A C 2.365 180.108 177.584 0.265 0.000 1.170 213 A CA 1.568 53.756 52.037 0.251 0.000 0.636 213 A CB -0.587 18.567 19.000 0.258 0.000 0.810 213 A HN 0.247 nan 8.150 nan 0.000 0.448 214 V N 0.335 120.408 119.914 0.265 0.000 2.343 214 V HA -0.244 3.876 4.120 0.001 0.000 0.247 214 V C 2.351 178.787 176.094 0.570 0.000 1.051 214 V CA 2.417 64.952 62.300 0.391 0.000 1.036 214 V CB -0.745 31.247 31.823 0.282 0.000 0.654 214 V HN 0.716 nan 8.190 nan 0.000 0.451 215 D N 0.073 120.734 120.400 0.435 0.000 2.123 215 D HA -0.118 4.522 4.640 0.001 0.000 0.200 215 D C 1.982 178.350 176.300 0.114 0.000 0.976 215 D CA 1.295 55.431 54.000 0.226 0.000 0.831 215 D CB -0.153 40.754 40.800 0.179 0.000 0.974 215 D HN 0.413 nan 8.370 nan 0.000 0.469 216 I N 0.481 121.157 120.570 0.175 0.000 2.226 216 I HA -0.176 3.995 4.170 0.001 0.000 0.245 216 I C 2.196 178.400 176.117 0.145 0.000 1.100 216 I CA 0.892 62.280 61.300 0.147 0.000 1.374 216 I CB -0.205 37.931 38.000 0.226 0.000 1.057 216 I HN 0.042 nan 8.210 nan 0.000 0.413 217 E N 0.123 120.431 120.200 0.180 0.000 2.106 217 E HA -0.211 4.139 4.350 0.001 0.000 0.192 217 E C 2.071 178.704 176.600 0.055 0.000 0.984 217 E CA 1.393 57.861 56.400 0.114 0.000 0.806 217 E CB -0.309 29.441 29.700 0.082 0.000 0.750 217 E HN 0.613 nan 8.360 nan 0.000 0.458 218 H N 0.051 119.196 119.070 0.124 0.000 2.395 218 H HA 0.107 4.663 4.556 0.001 0.000 0.299 218 H C 2.200 177.627 175.328 0.164 0.000 1.070 218 H CA 1.140 57.277 56.048 0.147 0.000 1.356 218 H CB 0.168 30.030 29.762 0.167 0.000 1.401 218 H HN -0.023 nan 8.280 nan 0.000 0.524 219 R N 0.030 120.600 120.500 0.115 0.000 2.092 219 R HA -0.039 4.301 4.340 0.001 0.000 0.231 219 R C 2.436 178.790 176.300 0.089 0.000 1.119 219 R CA 0.964 57.081 56.100 0.027 0.000 0.970 219 R CB -0.144 30.102 30.300 -0.090 0.000 0.864 219 R HN 0.287 nan 8.270 nan 0.000 0.440 220 A N 1.107 123.973 122.820 0.077 0.000 1.902 220 A HA -0.094 4.226 4.320 0.001 0.000 0.217 220 A C 2.333 179.985 177.584 0.114 0.000 1.181 220 A CA 1.650 53.718 52.037 0.051 0.000 0.623 220 A CB -0.604 18.433 19.000 0.061 0.000 0.818 220 A HN 0.391 nan 8.150 nan 0.000 0.443 221 A N -1.557 121.363 122.820 0.168 0.000 1.930 221 A HA -0.147 4.173 4.320 0.001 0.000 0.217 221 A C 2.082 179.845 177.584 0.299 0.000 1.175 221 A CA 1.255 53.411 52.037 0.198 0.000 0.627 221 A CB -0.770 18.303 19.000 0.121 0.000 0.815 221 A HN 0.836 nan 8.150 nan 0.000 0.443 222 W N 0.300 121.721 121.300 0.200 0.000 2.379 222 W HA -0.163 4.498 4.660 0.001 0.000 0.307 222 W C 1.772 178.250 176.519 -0.067 0.000 1.200 222 W CA 1.808 59.169 57.345 0.027 0.000 1.297 222 W CB -0.418 28.998 29.460 -0.074 0.000 1.140 222 W HN 0.362 nan 8.180 nan 0.000 0.507 223 L N 1.268 122.595 121.223 0.172 0.000 2.017 223 L HA -0.166 4.174 4.340 0.001 0.000 0.208 223 L C 2.410 179.247 176.870 -0.055 0.000 1.073 223 L CA 1.936 56.772 54.840 -0.007 0.000 0.745 223 L CB -1.210 40.802 42.059 -0.079 0.000 0.894 223 L HN -0.068 nan 8.230 nan 0.000 0.432 224 L N -0.667 120.565 121.223 0.015 0.000 2.201 224 L HA -0.113 4.228 4.340 0.001 0.000 0.212 224 L C 2.614 179.489 176.870 0.009 0.000 1.105 224 L CA 0.853 55.727 54.840 0.056 0.000 0.775 224 L CB -0.866 41.270 42.059 0.128 0.000 0.913 224 L HN 0.384 nan 8.230 nan 0.000 0.440 225 A N 0.413 123.203 122.820 -0.050 0.000 1.898 225 A HA -0.237 4.084 4.320 0.001 0.000 0.216 225 A C 2.314 179.797 177.584 -0.168 0.000 1.181 225 A CA 1.861 53.834 52.037 -0.106 0.000 0.620 225 A CB -0.331 18.553 19.000 -0.192 0.000 0.819 225 A HN 0.242 nan 8.150 nan 0.000 0.442 226 K N 0.241 120.488 120.400 -0.254 0.000 2.057 226 K HA -0.201 4.119 4.320 0.001 0.000 0.207 226 K C 2.186 178.650 176.600 -0.227 0.000 1.049 226 K CA 2.107 58.197 56.287 -0.328 0.000 0.931 226 K CB -0.436 31.783 32.500 -0.469 0.000 0.714 226 K HN 0.596 nan 8.250 nan 0.000 0.440 227 Q N 0.332 120.067 119.800 -0.108 0.000 2.084 227 Q HA -0.202 4.138 4.340 0.001 0.000 0.202 227 Q C 1.755 177.781 176.000 0.043 0.000 0.978 227 Q CA 1.840 57.645 55.803 0.003 0.000 0.844 227 Q CB -0.060 28.749 28.738 0.118 0.000 0.898 227 Q HN 0.496 nan 8.270 nan 0.000 0.426 228 E N 0.034 120.270 120.200 0.060 0.000 2.077 228 E HA -0.202 4.148 4.350 0.001 0.000 0.193 228 E C 2.196 178.929 176.600 0.221 0.000 0.989 228 E CA 0.873 57.353 56.400 0.133 0.000 0.800 228 E CB -0.039 29.722 29.700 0.101 0.000 0.746 228 E HN 0.276 nan 8.360 nan 0.000 0.452 229 R N 0.582 121.137 120.500 0.092 0.000 2.081 229 R HA -0.127 4.213 4.340 0.001 0.000 0.235 229 R C 2.077 178.514 176.300 0.229 0.000 1.131 229 R CA 1.331 57.484 56.100 0.089 0.000 0.960 229 R CB -0.021 30.235 30.300 -0.072 0.000 0.856 229 R HN 0.130 nan 8.270 nan 0.000 0.436 230 N N -0.383 118.376 118.700 0.098 0.000 2.058 230 N HA -0.068 4.672 4.740 0.001 0.000 0.191 230 N C 0.927 176.670 175.510 0.389 0.000 1.037 230 N CA 1.506 54.639 53.050 0.138 0.000 0.848 230 N CB -0.441 37.905 38.487 -0.235 0.000 1.021 230 N HN 0.378 nan 8.380 nan 0.000 0.422 231 G N -0.071 108.818 108.800 0.149 0.000 2.781 231 G HA2 -0.232 3.728 3.960 0.001 0.000 0.683 231 G HA3 -0.232 3.728 3.960 0.001 0.000 0.683 231 G C -1.175 173.789 174.900 0.108 0.000 1.390 231 G CA -0.551 44.455 45.100 -0.156 0.000 0.850 231 G HN 0.202 nan 8.290 nan 0.000 0.557 232 F N 2.242 122.183 119.950 -0.014 0.000 2.361 232 F HA 0.606 5.133 4.527 0.001 0.000 0.364 232 F C -1.827 174.034 175.800 0.102 0.000 1.117 232 F CA -2.781 55.297 58.000 0.130 0.000 1.071 232 F CB 1.744 40.878 39.000 0.223 0.000 1.188 232 F HN 0.235 nan 8.300 nan 0.000 0.464 233 P HA -0.021 nan 4.420 nan 0.000 0.262 233 P C -1.179 176.307 177.300 0.310 0.000 1.182 233 P CA 0.632 63.877 63.100 0.241 0.000 0.761 233 P CB 0.156 31.957 31.700 0.167 0.000 0.795 234 F N 2.856 122.745 119.950 -0.102 0.000 2.540 234 F HA 0.325 4.852 4.527 0.001 0.000 0.317 234 F C -0.176 175.356 175.800 -0.447 0.000 1.104 234 F CA -0.987 56.775 58.000 -0.395 0.000 0.913 234 F CB 1.563 40.283 39.000 -0.466 0.000 1.170 234 F HN 0.103 nan 8.300 nan 0.000 0.450 235 D N 4.084 123.663 120.400 -1.369 0.000 2.517 235 D HA 0.138 4.778 4.640 0.001 0.000 0.220 235 D C 1.026 176.720 176.300 -1.009 0.000 1.158 235 D CA 0.256 53.561 54.000 -1.158 0.000 0.992 235 D CB 0.821 40.837 40.800 -1.308 0.000 1.058 235 D HN 0.683 nan 8.370 nan 0.000 0.516 236 T N 1.915 116.130 114.554 -0.565 0.000 2.665 236 T HA -0.195 4.155 4.350 0.001 0.000 0.268 236 T C 1.788 176.386 174.700 -0.170 0.000 1.035 236 T CA 0.886 62.860 62.100 -0.211 0.000 1.151 236 T CB 0.138 69.024 68.868 0.031 0.000 0.862 236 T HN 0.245 nan 8.240 nan 0.000 0.438 237 K N 1.421 121.721 120.400 -0.166 0.000 2.032 237 K HA 0.007 4.328 4.320 0.001 0.000 0.209 237 K C 2.523 179.058 176.600 -0.109 0.000 1.048 237 K CA 1.663 57.890 56.287 -0.101 0.000 0.927 237 K CB -0.810 31.639 32.500 -0.085 0.000 0.712 237 K HN 0.348 nan 8.250 nan 0.000 0.441 238 A N 1.203 123.910 122.820 -0.189 0.000 1.940 238 A HA -0.139 4.181 4.320 0.001 0.000 0.219 238 A C 2.074 179.599 177.584 -0.098 0.000 1.176 238 A CA 1.295 53.243 52.037 -0.148 0.000 0.631 238 A CB -0.344 18.530 19.000 -0.209 0.000 0.814 238 A HN 0.257 nan 8.150 nan 0.000 0.446 239 I N 0.023 120.508 120.570 -0.142 0.000 2.617 239 I HA -0.120 4.050 4.170 0.001 0.000 0.256 239 I C 2.140 178.316 176.117 0.097 0.000 1.167 239 I CA 1.014 62.327 61.300 0.022 0.000 1.469 239 I CB -1.460 36.620 38.000 0.132 0.000 1.098 239 I HN 0.474 nan 8.210 nan 0.000 0.436 240 E N 0.847 121.091 120.200 0.073 0.000 2.106 240 E HA -0.206 4.144 4.350 0.001 0.000 0.192 240 E C 1.870 178.538 176.600 0.113 0.000 0.984 240 E CA 1.034 57.514 56.400 0.133 0.000 0.806 240 E CB -0.032 29.720 29.700 0.087 0.000 0.750 240 E HN 0.573 nan 8.360 nan 0.000 0.458 241 E N 0.674 120.904 120.200 0.050 0.000 2.152 241 E HA -0.157 4.194 4.350 0.001 0.000 0.192 241 E C 2.106 178.730 176.600 0.040 0.000 0.983 241 E CA 0.471 56.889 56.400 0.029 0.000 0.818 241 E CB -0.020 29.686 29.700 0.010 0.000 0.758 241 E HN 0.099 nan 8.360 nan 0.000 0.467 242 L N 0.426 121.687 121.223 0.063 0.000 2.093 242 L HA -0.157 4.183 4.340 0.001 0.000 0.208 242 L C 2.246 179.156 176.870 0.067 0.000 1.085 242 L CA 1.502 56.378 54.840 0.059 0.000 0.755 242 L CB -0.508 41.599 42.059 0.079 0.000 0.904 242 L HN 0.084 nan 8.230 nan 0.000 0.435 243 Y N -0.363 119.909 120.300 -0.047 0.000 2.181 243 Y HA -0.182 4.368 4.550 0.001 0.000 0.288 243 Y C 2.310 178.170 175.900 -0.066 0.000 1.146 243 Y CA 1.787 59.846 58.100 -0.067 0.000 1.164 243 Y CB -0.789 37.648 38.460 -0.038 0.000 0.982 243 Y HN 0.039 nan 8.280 nan 0.000 0.515 244 V N 0.712 120.547 119.914 -0.131 0.000 2.295 244 V HA -0.298 3.822 4.120 0.001 0.000 0.246 244 V C 2.448 178.456 176.094 -0.143 0.000 1.049 244 V CA 2.287 64.456 62.300 -0.218 0.000 1.024 244 V CB -0.700 31.054 31.823 -0.114 0.000 0.648 244 V HN 0.449 nan 8.190 nan 0.000 0.447 245 E N -0.013 120.145 120.200 -0.069 0.000 2.051 245 E HA -0.223 4.128 4.350 0.001 0.000 0.192 245 E C 2.222 178.778 176.600 -0.072 0.000 0.991 245 E CA 1.487 57.863 56.400 -0.039 0.000 0.799 245 E CB -0.114 29.593 29.700 0.012 0.000 0.748 245 E HN 0.574 nan 8.360 nan 0.000 0.449 246 L N 0.230 121.379 121.223 -0.124 0.000 2.093 246 L HA -0.103 4.237 4.340 0.001 0.000 0.208 246 L C 2.680 179.470 176.870 -0.134 0.000 1.085 246 L CA 0.913 55.645 54.840 -0.180 0.000 0.755 246 L CB -0.421 41.502 42.059 -0.227 0.000 0.904 246 L HN 0.189 nan 8.230 nan 0.000 0.435 247 A N 0.143 122.869 122.820 -0.156 0.000 1.933 247 A HA -0.153 4.168 4.320 0.001 0.000 0.218 247 A C 2.526 180.040 177.584 -0.117 0.000 1.175 247 A CA 1.703 53.635 52.037 -0.176 0.000 0.628 247 A CB -0.622 18.162 19.000 -0.361 0.000 0.814 247 A HN 0.393 nan 8.150 nan 0.000 0.444 248 A N -0.361 122.397 122.820 -0.102 0.000 1.898 248 A HA -0.103 4.217 4.320 0.001 0.000 0.216 248 A C 2.182 179.755 177.584 -0.018 0.000 1.181 248 A CA 1.986 53.991 52.037 -0.054 0.000 0.620 248 A CB -0.386 18.588 19.000 -0.044 0.000 0.819 248 A HN 0.432 nan 8.150 nan 0.000 0.442 249 R N 0.194 120.684 120.500 -0.017 0.000 2.090 249 R HA -0.040 4.300 4.340 0.001 0.000 0.228 249 R C 2.219 178.533 176.300 0.022 0.000 1.110 249 R CA 1.766 57.877 56.100 0.019 0.000 0.973 249 R CB -0.623 29.701 30.300 0.040 0.000 0.869 249 R HN 0.569 nan 8.270 nan 0.000 0.440 250 R N -0.355 120.124 120.500 -0.035 0.000 2.073 250 R HA -0.073 4.267 4.340 0.001 0.000 0.234 250 R C 1.924 178.285 176.300 0.102 0.000 1.134 250 R CA 2.078 58.147 56.100 -0.052 0.000 0.952 250 R CB -0.372 29.826 30.300 -0.170 0.000 0.850 250 R HN 0.217 nan 8.270 nan 0.000 0.433 251 S N 0.510 116.245 115.700 0.057 0.000 2.370 251 S HA -0.176 4.294 4.470 0.001 0.000 0.226 251 S C 1.685 176.341 174.600 0.094 0.000 1.033 251 S CA 1.590 59.836 58.200 0.077 0.000 1.011 251 S CB -0.288 62.928 63.200 0.028 0.000 0.852 251 S HN 0.407 nan 8.310 nan 0.000 0.457 252 E N 1.508 121.754 120.200 0.077 0.000 2.106 252 E HA -0.024 4.327 4.350 0.001 0.000 0.192 252 E C 1.836 178.502 176.600 0.110 0.000 0.984 252 E CA 0.951 57.396 56.400 0.076 0.000 0.806 252 E CB -0.407 29.327 29.700 0.058 0.000 0.750 252 E HN 0.474 nan 8.360 nan 0.000 0.458 253 L N -0.183 121.136 121.223 0.160 0.000 2.093 253 L HA -0.118 4.223 4.340 0.001 0.000 0.208 253 L C 2.391 179.390 176.870 0.215 0.000 1.085 253 L CA 0.675 55.644 54.840 0.216 0.000 0.755 253 L CB -0.429 41.833 42.059 0.339 0.000 0.904 253 L HN 0.246 nan 8.230 nan 0.000 0.435 254 L N 0.068 121.437 121.223 0.244 0.000 2.056 254 L HA -0.196 4.145 4.340 0.001 0.000 0.207 254 L C 2.742 179.691 176.870 0.132 0.000 1.078 254 L CA 1.621 56.565 54.840 0.174 0.000 0.749 254 L CB -0.567 41.612 42.059 0.200 0.000 0.901 254 L HN 0.111 nan 8.230 nan 0.000 0.433 255 R N -0.352 120.213 120.500 0.109 0.000 2.080 255 R HA -0.219 4.122 4.340 0.001 0.000 0.236 255 R C 2.344 178.684 176.300 0.066 0.000 1.137 255 R CA 2.095 58.240 56.100 0.076 0.000 0.943 255 R CB -0.168 30.166 30.300 0.058 0.000 0.846 255 R HN 0.362 nan 8.270 nan 0.000 0.431 256 K N 0.215 120.656 120.400 0.068 0.000 2.002 256 K HA -0.138 4.183 4.320 0.001 0.000 0.209 256 K C 2.209 178.829 176.600 0.034 0.000 1.048 256 K CA 1.650 57.961 56.287 0.040 0.000 0.930 256 K CB -0.217 32.310 32.500 0.046 0.000 0.714 256 K HN 0.196 nan 8.250 nan 0.000 0.438 257 L N 0.861 122.145 121.223 0.102 0.000 2.083 257 L HA -0.175 4.165 4.340 0.001 0.000 0.209 257 L C 2.572 179.537 176.870 0.158 0.000 1.083 257 L CA 1.611 56.550 54.840 0.164 0.000 0.752 257 L CB -0.877 41.378 42.059 0.326 0.000 0.899 257 L HN 0.404 nan 8.230 nan 0.000 0.433 258 T N -3.860 110.803 114.554 0.182 0.000 3.072 258 T HA -0.158 4.192 4.350 0.001 0.000 0.266 258 T C 1.587 176.328 174.700 0.069 0.000 1.127 258 T CA 0.867 63.072 62.100 0.175 0.000 1.107 258 T CB -0.060 68.899 68.868 0.152 0.000 0.910 258 T HN 0.395 nan 8.240 nan 0.000 0.513 259 E N 1.147 121.355 120.200 0.012 0.000 2.086 259 E HA -0.087 4.263 4.350 0.001 0.000 0.190 259 E C 1.831 178.362 176.600 -0.116 0.000 0.975 259 E CA 1.077 57.458 56.400 -0.032 0.000 0.813 259 E CB -0.184 29.497 29.700 -0.030 0.000 0.768 259 E HN 0.498 nan 8.360 nan 0.000 0.457 260 T N 0.290 114.709 114.554 -0.225 0.000 2.812 260 T HA -0.017 4.333 4.350 0.001 0.000 0.264 260 T C 0.120 174.415 174.700 -0.676 0.000 1.042 260 T CA 0.789 62.590 62.100 -0.497 0.000 1.140 260 T CB -0.118 68.314 68.868 -0.727 0.000 0.870 260 T HN 0.009 nan 8.240 nan 0.000 0.445 261 F N 1.696 121.497 119.950 -0.248 0.000 2.325 261 F HA 0.584 5.112 4.527 0.001 0.000 0.369 261 F C 0.937 176.681 175.800 -0.092 0.000 1.095 261 F CA -1.680 56.130 58.000 -0.317 0.000 1.082 261 F CB 0.570 39.041 39.000 -0.881 0.000 1.289 261 F HN 0.000 nan 8.300 nan 0.000 0.462 262 G N 1.258 110.141 108.800 0.138 0.000 2.606 262 G HA2 0.385 4.346 3.960 0.001 0.000 0.252 262 G HA3 0.385 4.346 3.960 0.001 0.000 0.252 262 G C 0.027 175.116 174.900 0.315 0.000 1.206 262 G CA -0.575 44.630 45.100 0.176 0.000 0.861 262 G HN 0.649 nan 8.290 nan 0.000 0.561 263 S N -0.729 115.086 115.700 0.192 0.000 2.608 263 S HA 0.615 5.085 4.470 0.001 0.000 0.261 263 S C -0.428 174.317 174.600 0.243 0.000 1.314 263 S CA 0.029 58.243 58.200 0.023 0.000 0.992 263 S CB 0.641 63.600 63.200 -0.402 0.000 0.935 263 S HN 1.144 nan 8.310 nan 0.000 0.564 264 W N -1.519 119.687 121.300 -0.157 0.000 2.961 264 W HA 0.722 5.382 4.660 0.001 0.000 0.368 264 W C -2.369 174.090 176.519 -0.101 0.000 1.213 264 W CA -1.513 55.816 57.345 -0.027 0.000 1.173 264 W CB 0.386 29.853 29.460 0.012 0.000 1.487 264 W HN 0.546 nan 8.180 nan 0.000 0.585 265 Y N 1.825 122.308 120.300 0.305 0.000 2.420 265 Y HA 0.527 5.078 4.550 0.001 0.000 0.334 265 Y C 0.323 176.360 175.900 0.229 0.000 1.094 265 Y CA -0.725 57.479 58.100 0.174 0.000 1.126 265 Y CB 2.053 40.610 38.460 0.161 0.000 1.217 265 Y HN 0.322 nan 8.280 nan 0.000 0.462 266 Q N 4.262 124.225 119.800 0.271 0.000 2.372 266 Q HA 0.368 4.708 4.340 0.001 0.000 0.273 266 Q C -2.743 173.366 176.000 0.181 0.000 1.078 266 Q CA -2.496 53.448 55.803 0.234 0.000 0.806 266 Q CB 2.762 31.611 28.738 0.184 0.000 1.332 266 Q HN 0.332 nan 8.270 nan 0.000 0.435 267 P HA 0.068 nan 4.420 nan 0.000 0.268 267 P C -0.932 176.423 177.300 0.092 0.000 1.205 267 P CA -0.029 63.136 63.100 0.109 0.000 0.771 267 P CB 0.762 32.511 31.700 0.083 0.000 0.858 268 K N 1.543 121.990 120.400 0.079 0.000 2.579 268 K HA 0.497 4.817 4.320 0.001 0.000 0.257 268 K C 0.162 176.793 176.600 0.051 0.000 0.950 268 K CA 0.222 56.548 56.287 0.064 0.000 0.862 268 K CB 0.517 33.058 32.500 0.069 0.000 1.317 268 K HN 0.604 nan 8.250 nan 0.000 0.436 269 G N 1.665 110.485 108.800 0.033 0.000 2.179 269 G HA2 -0.141 3.819 3.960 0.001 0.000 0.220 269 G HA3 -0.141 3.819 3.960 0.001 0.000 0.220 269 G C 0.472 175.366 174.900 -0.011 0.000 0.990 269 G CA -0.096 45.015 45.100 0.019 0.000 0.646 269 G HN 1.058 nan 8.290 nan 0.000 0.517 270 G N 0.370 109.160 108.800 -0.018 0.000 2.343 270 G HA2 0.512 4.472 3.960 0.001 0.000 0.254 270 G HA3 0.512 4.472 3.960 0.001 0.000 0.254 270 G C 1.029 175.912 174.900 -0.028 0.000 1.277 270 G CA 1.231 46.303 45.100 -0.047 0.000 0.909 270 G HN 1.205 nan 8.290 nan 0.000 0.502 271 T N -0.856 113.672 114.554 -0.044 0.000 2.985 271 T HA 0.257 4.607 4.350 0.001 0.000 0.254 271 T C 0.552 175.242 174.700 -0.017 0.000 1.021 271 T CA -0.034 62.051 62.100 -0.024 0.000 0.957 271 T CB 0.420 69.271 68.868 -0.028 0.000 1.047 271 T HN 0.501 nan 8.240 nan 0.000 0.511 272 E N 1.000 121.187 120.200 -0.023 0.000 2.195 272 E HA 0.542 4.892 4.350 0.001 0.000 0.271 272 E C -0.902 175.718 176.600 0.033 0.000 0.923 272 E CA -1.044 55.354 56.400 -0.003 0.000 0.790 272 E CB 1.503 31.193 29.700 -0.017 0.000 1.155 272 E HN 0.189 nan 8.360 nan 0.000 0.402 273 M N 4.322 123.948 119.600 0.042 0.000 2.217 273 M HA 0.229 4.709 4.480 0.001 0.000 0.354 273 M C -1.298 175.070 176.300 0.112 0.000 1.225 273 M CA -0.146 55.199 55.300 0.074 0.000 1.137 273 M CB 0.352 32.978 32.600 0.043 0.000 1.576 273 M HN 0.447 nan 8.290 nan 0.000 0.461 274 F N 5.842 125.792 119.950 -0.001 0.000 2.424 274 F HA 0.491 5.018 4.527 0.000 0.000 0.356 274 F C -0.956 174.831 175.800 -0.020 0.000 1.110 274 F CA -0.734 57.247 58.000 -0.032 0.000 1.161 274 F CB 0.239 39.202 39.000 -0.062 0.000 1.115 274 F HN 0.629 nan 8.300 nan 0.000 0.507 275 C N 5.543 124.426 119.300 -0.695 0.000 2.435 275 C HA 0.291 4.751 4.460 0.001 0.000 0.333 275 C C 0.044 174.588 174.990 -0.744 0.000 1.202 275 C CA -0.896 57.802 59.018 -0.533 0.000 1.830 275 C CB 0.878 28.467 27.740 -0.252 0.000 2.326 275 C HN 0.871 nan 8.230 nan 0.000 0.507 276 H N 2.443 121.209 119.070 -0.506 0.000 3.046 276 H HA 0.058 4.614 4.556 0.000 0.000 0.303 276 H C -1.574 173.592 175.328 -0.269 0.000 1.002 276 H CA -0.902 54.924 56.048 -0.370 0.000 1.460 276 H CB 0.853 30.512 29.762 -0.172 0.000 1.493 276 H HN 0.415 nan 8.280 nan 0.000 0.559 277 P HA -0.196 nan 4.420 nan 0.000 0.216 277 P C 1.444 178.710 177.300 -0.057 0.000 1.150 277 P CA 1.249 64.358 63.100 0.015 0.000 0.837 277 P CB 0.144 31.887 31.700 0.072 0.000 0.786 278 R N -0.980 119.423 120.500 -0.163 0.000 2.060 278 R HA -0.057 4.283 4.340 0.001 0.000 0.225 278 R C 1.931 177.989 176.300 -0.402 0.000 1.155 278 R CA 2.149 58.038 56.100 -0.351 0.000 0.930 278 R CB -0.950 29.056 30.300 -0.491 0.000 0.829 278 R HN 0.058 nan 8.270 nan 0.000 0.433 279 T N -1.420 112.732 114.554 -0.670 0.000 2.684 279 T HA 0.097 4.447 4.350 0.001 0.000 0.253 279 T C 1.180 175.763 174.700 -0.195 0.000 1.057 279 T CA 1.515 63.406 62.100 -0.349 0.000 1.162 279 T CB -0.261 68.430 68.868 -0.295 0.000 0.868 279 T HN 0.658 nan 8.240 nan 0.000 0.409 280 G N 1.561 110.268 108.800 -0.154 0.000 2.205 280 G HA2 -0.173 3.788 3.960 0.001 0.000 0.180 280 G HA3 -0.173 3.788 3.960 0.001 0.000 0.180 280 G C 0.070 174.927 174.900 -0.071 0.000 1.004 280 G CA -0.010 45.027 45.100 -0.104 0.000 0.670 280 G HN 0.725 nan 8.290 nan 0.000 0.496 281 K N 1.000 121.376 120.400 -0.040 0.000 2.412 281 K HA 0.488 4.808 4.320 0.001 0.000 0.281 281 K C -2.581 174.011 176.600 -0.015 0.000 1.027 281 K CA -1.238 55.042 56.287 -0.011 0.000 0.989 281 K CB 0.706 33.218 32.500 0.021 0.000 0.935 281 K HN 0.049 nan 8.250 nan 0.000 0.475 282 P HA -0.041 nan 4.420 nan 0.000 0.267 282 P C -0.853 176.471 177.300 0.041 0.000 1.200 282 P CA 0.030 63.127 63.100 -0.005 0.000 0.772 282 P CB 0.423 32.129 31.700 0.010 0.000 0.855 283 L N 4.757 126.029 121.223 0.082 0.000 2.556 283 L HA 0.265 4.605 4.340 0.001 0.000 0.243 283 L C -1.701 175.309 176.870 0.233 0.000 1.331 283 L CA -1.524 53.438 54.840 0.204 0.000 0.927 283 L CB 1.444 43.718 42.059 0.359 0.000 1.219 283 L HN 0.251 nan 8.230 nan 0.000 0.490 284 P HA -0.199 nan 4.420 nan 0.000 0.216 284 P C 1.325 178.690 177.300 0.108 0.000 1.150 284 P CA 1.144 64.310 63.100 0.109 0.000 0.843 284 P CB 0.242 31.982 31.700 0.066 0.000 0.787 285 K N -1.538 118.917 120.400 0.093 0.000 2.097 285 K HA -0.083 4.237 4.320 0.001 0.000 0.206 285 K C 0.854 177.460 176.600 0.009 0.000 1.049 285 K CA 0.856 57.154 56.287 0.019 0.000 0.933 285 K CB -0.936 31.534 32.500 -0.049 0.000 0.717 285 K HN 0.270 nan 8.250 nan 0.000 0.442 286 Y N 1.554 121.901 120.300 0.078 0.000 2.550 286 Y HA 0.009 4.560 4.550 0.000 0.000 0.343 286 Y C -1.764 174.155 175.900 0.033 0.000 1.245 286 Y CA -1.802 56.331 58.100 0.055 0.000 1.462 286 Y CB -0.334 38.203 38.460 0.128 0.000 1.340 286 Y HN 0.021 nan 8.280 nan 0.000 0.604 287 P HA 0.049 nan 4.420 nan 0.000 0.269 287 P C -0.552 176.795 177.300 0.079 0.000 1.209 287 P CA -0.173 62.981 63.100 0.090 0.000 0.776 287 P CB 0.535 32.270 31.700 0.059 0.000 0.876 288 R N 2.353 122.888 120.500 0.058 0.000 2.679 288 R HA 0.212 4.552 4.340 0.001 0.000 0.268 288 R C 0.677 176.967 176.300 -0.016 0.000 1.044 288 R CA 0.124 56.249 56.100 0.042 0.000 1.105 288 R CB -0.346 29.968 30.300 0.024 0.000 0.989 288 R HN 0.577 nan 8.270 nan 0.000 0.447 289 I N -1.810 118.744 120.570 -0.027 0.000 3.436 289 I HA 0.570 4.740 4.170 0.001 0.000 0.296 289 I C -0.201 175.795 176.117 -0.201 0.000 1.143 289 I CA -1.136 60.087 61.300 -0.128 0.000 1.009 289 I CB 1.881 39.846 38.000 -0.059 0.000 1.301 289 I HN 0.041 nan 8.210 nan 0.000 0.503 290 K N 1.161 121.328 120.400 -0.389 0.000 2.482 290 K HA 0.467 4.787 4.320 0.001 0.000 0.251 290 K C -1.606 174.803 176.600 -0.317 0.000 0.936 290 K CA -0.424 55.616 56.287 -0.412 0.000 0.791 290 K CB 2.269 34.361 32.500 -0.680 0.000 1.213 290 K HN 0.837 nan 8.250 nan 0.000 0.428 291 T N 6.062 120.534 114.554 -0.137 0.000 2.963 291 T HA 0.319 4.669 4.350 0.001 0.000 0.343 291 T C -2.444 172.247 174.700 -0.015 0.000 1.146 291 T CA -1.261 60.817 62.100 -0.037 0.000 1.016 291 T CB 1.097 69.960 68.868 -0.009 0.000 1.046 291 T HN 0.347 nan 8.240 nan 0.000 0.496 292 P HA 0.179 nan 4.420 nan 0.000 0.262 292 P C 0.636 177.948 177.300 0.021 0.000 1.182 292 P CA 0.002 63.101 63.100 -0.002 0.000 0.761 292 P CB 0.748 32.457 31.700 0.014 0.000 0.795 293 K N 2.547 122.953 120.400 0.010 0.000 2.262 293 K HA 0.173 4.493 4.320 0.001 0.000 0.200 293 K C 0.977 177.595 176.600 0.031 0.000 1.049 293 K CA 0.875 57.173 56.287 0.018 0.000 0.979 293 K CB -0.105 32.401 32.500 0.009 0.000 0.773 293 K HN 0.425 nan 8.250 nan 0.000 0.474 294 V N -0.641 119.297 119.914 0.039 0.000 2.864 294 V HA 0.861 4.982 4.120 0.001 0.000 0.314 294 V C 0.330 176.470 176.094 0.076 0.000 1.073 294 V CA -0.397 61.934 62.300 0.051 0.000 0.956 294 V CB 1.256 33.107 31.823 0.047 0.000 1.023 294 V HN 0.970 nan 8.190 nan 0.000 0.435 295 G N 1.051 109.894 108.800 0.071 0.000 2.528 295 G HA2 0.538 4.498 3.960 0.001 0.000 0.681 295 G HA3 0.538 4.498 3.960 0.001 0.000 0.681 295 G C -0.523 174.413 174.900 0.060 0.000 1.340 295 G CA 0.073 45.220 45.100 0.078 0.000 0.855 295 G HN 1.493 nan 8.290 nan 0.000 0.649 296 G N -1.136 107.688 108.800 0.040 0.000 2.634 296 G HA2 0.671 4.631 3.960 0.001 0.000 0.309 296 G HA3 0.671 4.631 3.960 0.001 0.000 0.309 296 G C 0.743 175.626 174.900 -0.029 0.000 1.299 296 G CA 0.023 45.141 45.100 0.029 0.000 0.798 296 G HN 0.963 nan 8.290 nan 0.000 0.490 297 I N -0.779 119.753 120.570 -0.062 0.000 2.494 297 I HA 0.264 4.435 4.170 0.001 0.000 0.250 297 I C 0.235 176.093 176.117 -0.432 0.000 1.112 297 I CA 0.716 61.848 61.300 -0.280 0.000 1.438 297 I CB -0.002 37.777 38.000 -0.369 0.000 1.111 297 I HN 0.117 nan 8.210 nan 0.000 0.431 298 F N 0.440 120.392 119.950 0.003 0.000 2.575 298 F HA 0.436 4.963 4.527 0.000 0.000 0.330 298 F C 0.356 176.159 175.800 0.004 0.000 1.056 298 F CA -0.928 57.073 58.000 0.002 0.000 0.964 298 F CB 0.879 39.880 39.000 0.002 0.000 1.258 298 F HN -0.355 nan 8.300 nan 0.000 0.484 299 K N 0.568 121.096 120.400 0.214 0.000 2.118 299 K HA 0.515 4.835 4.320 0.001 0.000 0.264 299 K C -0.147 176.514 176.600 0.102 0.000 1.000 299 K CA -0.792 55.565 56.287 0.117 0.000 0.929 299 K CB 0.768 33.317 32.500 0.081 0.000 1.021 299 K HN 0.624 nan 8.250 nan 0.000 0.463 300 K N 4.004 124.445 120.400 0.068 0.000 2.338 300 K HA 0.134 4.455 4.320 0.001 0.000 0.290 300 K C -1.701 174.919 176.600 0.033 0.000 1.069 300 K CA -1.218 55.097 56.287 0.047 0.000 0.941 300 K CB -1.034 31.488 32.500 0.038 0.000 1.023 300 K HN 0.515 nan 8.250 nan 0.000 0.477 305 A N -1.518 121.297 122.820 -0.008 0.000 2.611 305 A HA 0.614 4.934 4.320 0.001 0.000 0.302 305 A C 0.680 178.256 177.584 -0.014 0.000 0.947 305 A CA 0.779 52.810 52.037 -0.010 0.000 0.697 305 A CB -0.366 18.628 19.000 -0.011 0.000 1.247 305 A HN 1.371 nan 8.150 nan 0.000 0.403 306 Q N -0.149 119.643 119.800 -0.013 0.000 2.230 306 Q HA 0.113 4.453 4.340 0.001 0.000 0.202 306 Q C 2.219 178.207 176.000 -0.021 0.000 0.963 306 Q CA 2.871 58.665 55.803 -0.016 0.000 0.866 306 Q CB -0.931 27.799 28.738 -0.012 0.000 0.931 306 Q HN 2.268 nan 8.270 nan 0.000 0.452 307 R N 0.187 120.674 120.500 -0.021 0.000 2.081 307 R HA 0.047 4.388 4.340 0.001 0.000 0.235 307 R C 2.299 178.575 176.300 -0.040 0.000 1.131 307 R CA 2.476 58.560 56.100 -0.027 0.000 0.960 307 R CB -1.484 28.803 30.300 -0.023 0.000 0.856 307 R HN 0.875 nan 8.270 nan 0.000 0.436 308 E N -0.150 120.025 120.200 -0.041 0.000 2.190 308 E HA 0.166 4.517 4.350 0.001 0.000 0.191 308 E C 2.480 179.047 176.600 -0.055 0.000 0.978 308 E CA 0.567 56.931 56.400 -0.060 0.000 0.839 308 E CB -0.922 28.746 29.700 -0.054 0.000 0.787 308 E HN 0.688 nan 8.360 nan 0.000 0.473 309 G N -0.279 108.499 108.800 -0.037 0.000 2.564 309 G HA2 0.209 4.169 3.960 0.001 0.000 0.216 309 G HA3 0.209 4.169 3.960 0.001 0.000 0.216 309 G C 0.990 175.869 174.900 -0.034 0.000 1.124 309 G CA 1.427 46.509 45.100 -0.031 0.000 0.764 309 G HN 0.858 nan 8.290 nan 0.000 0.550 314 E N 2.537 122.819 120.200 0.136 0.000 2.413 314 E HA 0.307 4.657 4.350 0.001 0.000 0.263 314 E C -0.564 176.182 176.600 0.244 0.000 1.015 314 E CA 0.017 56.511 56.400 0.157 0.000 0.916 314 E CB 0.573 30.325 29.700 0.087 0.000 0.947 314 E HN 0.574 nan 8.360 nan 0.000 0.440 315 L N 3.184 124.492 121.223 0.141 0.000 2.395 315 L HA 0.104 4.444 4.340 0.001 0.000 0.269 315 L C 0.284 177.144 176.870 -0.017 0.000 1.133 315 L CA -0.280 54.567 54.840 0.011 0.000 0.812 315 L CB 0.744 42.763 42.059 -0.067 0.000 1.125 315 L HN 0.551 nan 8.230 nan 0.000 0.452 316 D N 1.245 121.602 120.400 -0.072 0.000 2.468 316 D HA 0.071 4.711 4.640 0.001 0.000 0.218 316 D C 0.929 177.183 176.300 -0.076 0.000 1.155 316 D CA -0.171 53.801 54.000 -0.046 0.000 0.924 316 D CB 1.079 41.859 40.800 -0.032 0.000 1.029 316 D HN 0.444 nan 8.370 nan 0.000 0.515 317 T N 2.713 117.231 114.554 -0.060 0.000 3.025 317 T HA -0.086 4.265 4.350 0.001 0.000 0.270 317 T C 1.036 175.682 174.700 -0.091 0.000 1.126 317 T CA 0.517 62.573 62.100 -0.074 0.000 1.105 317 T CB -0.025 68.811 68.868 -0.054 0.000 0.884 317 T HN 0.285 nan 8.240 nan 0.000 0.522 318 R N 1.885 122.339 120.500 -0.078 0.000 2.734 318 R HA 0.044 4.385 4.340 0.001 0.000 0.266 318 R C 1.555 177.751 176.300 -0.173 0.000 1.044 318 R CA 0.136 56.177 56.100 -0.099 0.000 1.128 318 R CB 0.322 30.603 30.300 -0.032 0.000 1.010 318 R HN 0.546 nan 8.270 nan 0.000 0.461 319 E N 1.322 121.326 120.200 -0.326 0.000 2.479 319 E HA -0.028 4.322 4.350 0.001 0.000 0.193 319 E C -0.527 175.758 176.600 -0.525 0.000 1.049 319 E CA 0.407 56.531 56.400 -0.460 0.000 0.870 319 E CB 0.266 29.614 29.700 -0.585 0.000 0.944 319 E HN 0.415 nan 8.360 nan 0.000 0.492 320 Y N 0.209 120.452 120.300 -0.095 0.000 2.487 320 Y HA 0.477 5.027 4.550 0.001 0.000 0.337 320 Y C -0.135 175.744 175.900 -0.034 0.000 1.076 320 Y CA -1.379 56.674 58.100 -0.079 0.000 1.115 320 Y CB 1.993 40.422 38.460 -0.052 0.000 1.235 320 Y HN -0.245 nan 8.280 nan 0.000 0.468 321 V N 2.324 122.342 119.914 0.174 0.000 2.443 321 V HA 0.585 4.705 4.120 0.001 0.000 0.293 321 V C -0.190 175.968 176.094 0.106 0.000 1.021 321 V CA -1.463 60.898 62.300 0.101 0.000 0.848 321 V CB 1.228 33.087 31.823 0.060 0.000 0.998 321 V HN 0.956 nan 8.190 nan 0.000 0.424 322 A N 3.910 126.781 122.820 0.085 0.000 2.580 322 A HA 0.454 4.775 4.320 0.001 0.000 0.244 322 A C 1.614 179.235 177.584 0.063 0.000 1.045 322 A CA 1.157 53.234 52.037 0.068 0.000 0.761 322 A CB -0.595 18.438 19.000 0.054 0.000 0.962 322 A HN 2.248 nan 8.150 nan 0.000 0.512 323 G N 1.394 110.230 108.800 0.060 0.000 2.299 323 G HA2 0.108 4.069 3.960 0.001 0.000 0.237 323 G HA3 0.108 4.069 3.960 0.001 0.000 0.237 323 G C 0.654 175.597 174.900 0.071 0.000 1.027 323 G CA 0.384 45.517 45.100 0.054 0.000 0.619 323 G HN 2.322 nan 8.290 nan 0.000 0.513 324 A N 2.899 125.774 122.820 0.093 0.000 2.437 324 A HA 0.654 4.974 4.320 0.001 0.000 0.303 324 A C -1.213 176.470 177.584 0.165 0.000 1.324 324 A CA -0.548 51.557 52.037 0.113 0.000 0.983 324 A CB 0.212 19.277 19.000 0.108 0.000 1.142 324 A HN 0.363 nan 8.150 nan 0.000 0.541 325 P HA 0.374 nan 4.420 nan 0.000 0.275 325 P C -1.163 176.251 177.300 0.189 0.000 1.228 325 P CA 0.270 63.447 63.100 0.129 0.000 0.786 325 P CB 0.654 32.415 31.700 0.102 0.000 0.927 326 Y N -2.084 118.226 120.300 0.016 0.000 2.644 326 Y HA 0.661 5.211 4.550 0.001 0.000 0.338 326 Y C -0.931 174.960 175.900 -0.015 0.000 1.119 326 Y CA -1.212 56.891 58.100 0.005 0.000 1.060 326 Y CB 0.425 38.918 38.460 0.054 0.000 1.294 326 Y HN 0.144 nan 8.280 nan 0.000 0.472 327 T N 3.786 118.360 114.554 0.034 0.000 2.770 327 T HA 0.434 4.785 4.350 0.001 0.000 0.297 327 T C -2.804 171.945 174.700 0.082 0.000 0.997 327 T CA -1.324 60.742 62.100 -0.057 0.000 0.949 327 T CB 0.830 69.677 68.868 -0.035 0.000 0.941 327 T HN 0.372 nan 8.240 nan 0.000 0.457 328 P HA 0.292 nan 4.420 nan 0.000 0.267 328 P C -0.664 176.714 177.300 0.130 0.000 1.205 328 P CA -0.391 62.798 63.100 0.148 0.000 0.765 328 P CB 0.523 32.255 31.700 0.055 0.000 0.828 329 V N 0.099 120.114 119.914 0.168 0.000 3.078 329 V HA 0.776 4.897 4.120 0.001 0.000 0.311 329 V C -0.735 175.499 176.094 0.233 0.000 1.138 329 V CA -1.180 61.235 62.300 0.191 0.000 1.007 329 V CB 2.360 34.309 31.823 0.210 0.000 1.045 329 V HN 0.621 nan 8.190 nan 0.000 0.432 330 E N 1.170 121.507 120.200 0.229 0.000 2.288 330 E HA 0.471 4.821 4.350 0.001 0.000 0.268 330 E C -1.220 175.435 176.600 0.092 0.000 0.885 330 E CA -0.803 55.695 56.400 0.163 0.000 0.767 330 E CB 2.236 31.977 29.700 0.067 0.000 1.220 330 E HN 0.947 nan 8.360 nan 0.000 0.427 331 H N 2.230 121.191 119.070 -0.182 0.000 2.620 331 H HA 0.353 4.909 4.556 0.001 0.000 0.313 331 H C -1.223 173.821 175.328 -0.474 0.000 1.075 331 H CA -0.764 54.940 56.048 -0.573 0.000 1.397 331 H CB 1.626 31.078 29.762 -0.517 0.000 1.446 331 H HN 0.331 nan 8.280 nan 0.000 0.493 332 V N 6.752 126.127 119.914 -0.898 0.000 2.540 332 V HA 0.332 4.452 4.120 0.001 0.000 0.302 332 V C -0.954 174.457 176.094 -1.139 0.000 1.035 332 V CA -0.539 61.198 62.300 -0.938 0.000 0.873 332 V CB 1.668 32.901 31.823 -0.984 0.000 0.992 332 V HN 0.517 nan 8.190 nan 0.000 0.428 333 V N 6.688 126.186 119.914 -0.694 0.000 2.617 333 V HA 0.377 4.497 4.120 0.001 0.000 0.298 333 V C 0.076 176.040 176.094 -0.218 0.000 1.048 333 V CA -0.641 61.405 62.300 -0.423 0.000 0.964 333 V CB 1.495 33.183 31.823 -0.225 0.000 1.004 333 V HN 0.838 nan 8.190 nan 0.000 0.466 334 F N 4.552 124.453 119.950 -0.081 0.000 2.602 334 F HA 0.145 4.672 4.527 0.001 0.000 0.385 334 F C 0.507 176.404 175.800 0.161 0.000 1.063 334 F CA 0.287 58.397 58.000 0.183 0.000 1.233 334 F CB 0.093 39.241 39.000 0.247 0.000 1.067 334 F HN 0.580 nan 8.300 nan 0.000 0.564 335 N N 8.203 126.707 118.700 -0.327 0.000 2.511 335 N HA 0.357 5.098 4.740 0.001 0.000 0.249 335 N C -2.282 172.685 175.510 -0.904 0.000 0.971 335 N CA -2.484 50.282 53.050 -0.473 0.000 0.938 335 N CB 1.713 39.999 38.487 -0.335 0.000 1.131 335 N HN 0.220 nan 8.380 nan 0.000 0.505 336 P HA 0.007 nan 4.420 nan 0.000 0.225 336 P C 0.626 177.679 177.300 -0.413 0.000 1.148 336 P CA 0.881 63.480 63.100 -0.834 0.000 0.779 336 P CB 0.482 31.445 31.700 -1.228 0.000 0.780 337 S N -1.655 113.893 115.700 -0.253 0.000 2.501 337 S HA 0.023 4.493 4.470 0.001 0.000 0.220 337 S C 1.046 175.553 174.600 -0.154 0.000 0.997 337 S CA 0.109 58.278 58.200 -0.052 0.000 0.919 337 S CB -0.402 62.828 63.200 0.051 0.000 0.778 337 S HN 0.109 nan 8.310 nan 0.000 0.523 338 S N 2.134 117.650 115.700 -0.307 0.000 2.448 338 S HA 0.186 4.656 4.470 0.001 0.000 0.279 338 S C 1.264 175.745 174.600 -0.197 0.000 1.195 338 S CA -0.734 57.269 58.200 -0.329 0.000 1.051 338 S CB 0.244 63.014 63.200 -0.716 0.000 0.948 338 S HN 0.196 nan 8.310 nan 0.000 0.493 339 R N 3.517 123.957 120.500 -0.100 0.000 2.148 339 R HA -0.072 4.269 4.340 0.001 0.000 0.227 339 R C 1.463 177.773 176.300 0.015 0.000 1.103 339 R CA 1.320 57.401 56.100 -0.032 0.000 0.983 339 R CB -0.856 29.439 30.300 -0.008 0.000 0.874 339 R HN 0.737 nan 8.270 nan 0.000 0.451 340 D N 0.133 120.541 120.400 0.013 0.000 2.117 340 D HA -0.129 4.511 4.640 0.001 0.000 0.198 340 D C 1.754 178.175 176.300 0.200 0.000 0.982 340 D CA 1.299 55.358 54.000 0.099 0.000 0.828 340 D CB -0.003 40.865 40.800 0.114 0.000 0.967 340 D HN 0.429 nan 8.370 nan 0.000 0.464 341 H N -0.464 118.633 119.070 0.045 0.000 2.321 341 H HA -0.030 4.526 4.556 0.001 0.000 0.300 341 H C 2.337 177.713 175.328 0.080 0.000 1.087 341 H CA 0.869 56.977 56.048 0.100 0.000 1.319 341 H CB 0.148 29.943 29.762 0.054 0.000 1.379 341 H HN 0.186 nan 8.280 nan 0.000 0.501 342 I N 0.975 121.639 120.570 0.157 0.000 2.118 342 I HA -0.336 3.834 4.170 0.001 0.000 0.241 342 I C 2.885 179.030 176.117 0.046 0.000 1.070 342 I CA 1.339 62.684 61.300 0.076 0.000 1.327 342 I CB -0.342 37.658 38.000 0.001 0.000 1.034 342 I HN 0.360 nan 8.210 nan 0.000 0.405 343 Q N 1.923 121.791 119.800 0.113 0.000 2.084 343 Q HA -0.287 4.053 4.340 0.001 0.000 0.202 343 Q C 2.141 178.223 176.000 0.137 0.000 0.978 343 Q CA 2.001 57.938 55.803 0.224 0.000 0.844 343 Q CB -0.234 28.620 28.738 0.194 0.000 0.898 343 Q HN 0.478 nan 8.270 nan 0.000 0.426 344 K N -0.031 120.393 120.400 0.040 0.000 2.009 344 K HA -0.157 4.164 4.320 0.001 0.000 0.210 344 K C 2.125 178.645 176.600 -0.133 0.000 1.049 344 K CA 1.394 57.636 56.287 -0.077 0.000 0.929 344 K CB 0.050 32.436 32.500 -0.190 0.000 0.714 344 K HN 0.009 nan 8.250 nan 0.000 0.440 345 K N 0.752 121.041 120.400 -0.185 0.000 2.097 345 K HA -0.071 4.249 4.320 0.001 0.000 0.205 345 K C 2.187 178.738 176.600 -0.083 0.000 1.050 345 K CA 0.974 57.116 56.287 -0.242 0.000 0.938 345 K CB -0.207 31.914 32.500 -0.631 0.000 0.718 345 K HN 0.275 nan 8.250 nan 0.000 0.442 346 L N 0.948 122.156 121.223 -0.025 0.000 2.109 346 L HA -0.149 4.191 4.340 0.001 0.000 0.207 346 L C 2.570 179.601 176.870 0.267 0.000 1.086 346 L CA 1.085 55.994 54.840 0.115 0.000 0.760 346 L CB -0.365 41.721 42.059 0.046 0.000 0.910 346 L HN 0.234 nan 8.230 nan 0.000 0.437 347 Q N 0.031 119.993 119.800 0.269 0.000 2.079 347 Q HA -0.226 4.115 4.340 0.001 0.000 0.200 347 Q C 1.946 177.991 176.000 0.076 0.000 0.974 347 Q CA 1.310 57.207 55.803 0.157 0.000 0.840 347 Q CB -0.071 28.682 28.738 0.025 0.000 0.898 347 Q HN 0.522 nan 8.270 nan 0.000 0.430 348 E N 0.258 120.479 120.200 0.035 0.000 2.333 348 E HA -0.141 4.209 4.350 0.001 0.000 0.198 348 E C 1.386 178.009 176.600 0.039 0.000 1.007 348 E CA 0.762 57.166 56.400 0.006 0.000 0.845 348 E CB 0.049 29.724 29.700 -0.041 0.000 0.766 348 E HN 0.296 nan 8.360 nan 0.000 0.507 349 A N -0.526 122.343 122.820 0.081 0.000 2.275 349 A HA 0.322 4.642 4.320 0.001 0.000 0.212 349 A C 1.602 179.242 177.584 0.093 0.000 1.201 349 A CA 0.754 52.844 52.037 0.090 0.000 0.843 349 A CB 0.187 19.262 19.000 0.124 0.000 0.873 349 A HN 0.316 nan 8.150 nan 0.000 0.492 350 G N -2.520 106.342 108.800 0.104 0.000 2.192 350 G HA2 -0.232 3.728 3.960 0.001 0.000 0.193 350 G HA3 -0.232 3.728 3.960 0.001 0.000 0.193 350 G C -0.097 174.895 174.900 0.154 0.000 0.999 350 G CA -0.105 45.053 45.100 0.096 0.000 0.659 350 G HN 0.722 nan 8.290 nan 0.000 0.503 351 W N 1.980 123.276 121.300 -0.006 0.000 2.210 351 W HA 0.515 5.175 4.660 0.001 0.000 0.330 351 W C -0.125 176.389 176.519 -0.009 0.000 1.334 351 W CA -0.423 56.916 57.345 -0.010 0.000 1.227 351 W CB 0.906 30.355 29.460 -0.020 0.000 1.178 351 W HN 0.337 nan 8.180 nan 0.000 0.560 352 V N 9.359 129.028 119.914 -0.409 0.000 2.325 352 V HA 0.223 4.343 4.120 0.001 0.000 0.280 352 V C -1.825 173.810 176.094 -0.764 0.000 1.016 352 V CA -1.975 60.023 62.300 -0.504 0.000 0.818 352 V CB 0.859 32.580 31.823 -0.170 0.000 1.019 352 V HN 0.472 nan 8.190 nan 0.000 0.434 353 P HA 0.132 nan 4.420 nan 0.000 0.266 353 P C 0.692 177.823 177.300 -0.281 0.000 1.193 353 P CA 0.444 63.000 63.100 -0.906 0.000 0.770 353 P CB 0.599 31.605 31.700 -1.157 0.000 0.836 354 T N 0.005 114.493 114.554 -0.109 0.000 2.959 354 T HA 0.100 4.450 4.350 0.001 0.000 0.254 354 T C 0.131 174.883 174.700 0.087 0.000 1.003 354 T CA 0.100 62.220 62.100 0.033 0.000 0.950 354 T CB 0.068 68.974 68.868 0.064 0.000 1.090 354 T HN 0.477 nan 8.240 nan 0.000 0.503 355 K N 0.539 120.949 120.400 0.017 0.000 2.553 355 K HA 0.605 4.925 4.320 0.001 0.000 0.250 355 K C -1.964 174.627 176.600 -0.015 0.000 0.953 355 K CA -0.883 55.459 56.287 0.093 0.000 0.800 355 K CB 1.638 34.180 32.500 0.071 0.000 1.243 355 K HN -0.091 nan 8.250 nan 0.000 0.435 356 Y N 0.365 120.670 120.300 0.009 0.000 2.654 356 Y HA 0.440 4.990 4.550 0.001 0.000 0.327 356 Y C 0.873 176.785 175.900 0.019 0.000 1.122 356 Y CA -0.800 57.306 58.100 0.010 0.000 1.227 356 Y CB 1.525 39.977 38.460 -0.013 0.000 1.370 356 Y HN 0.774 nan 8.280 nan 0.000 0.528 357 T N -2.952 111.718 114.554 0.195 0.000 2.912 357 T HA 0.187 4.537 4.350 0.001 0.000 0.280 357 T C 0.443 175.201 174.700 0.097 0.000 0.989 357 T CA -0.690 61.477 62.100 0.113 0.000 0.995 357 T CB 0.781 69.700 68.868 0.084 0.000 1.077 357 T HN 0.531 nan 8.240 nan 0.000 0.531 358 D N -0.281 120.157 120.400 0.064 0.000 2.384 358 D HA -0.055 4.585 4.640 0.001 0.000 0.222 358 D C 1.289 177.612 176.300 0.038 0.000 0.976 358 D CA 0.937 54.963 54.000 0.044 0.000 0.915 358 D CB 0.160 40.980 40.800 0.033 0.000 0.896 358 D HN 0.613 nan 8.370 nan 0.000 0.523 359 K N -0.804 119.626 120.400 0.050 0.000 2.358 359 K HA 0.158 4.478 4.320 0.001 0.000 0.200 359 K C 1.075 177.705 176.600 0.049 0.000 1.030 359 K CA 0.514 56.826 56.287 0.042 0.000 1.097 359 K CB 0.653 33.179 32.500 0.042 0.000 0.862 359 K HN 0.083 nan 8.250 nan 0.000 0.534 360 G N 0.397 109.239 108.800 0.070 0.000 2.258 360 G HA2 -0.295 3.666 3.960 0.001 0.000 0.233 360 G HA3 -0.295 3.666 3.960 0.001 0.000 0.233 360 G C 0.181 175.214 174.900 0.221 0.000 1.006 360 G CA 0.017 45.162 45.100 0.076 0.000 0.620 360 G HN 0.485 nan 8.290 nan 0.000 0.511 361 A N 2.517 125.444 122.820 0.178 0.000 2.477 361 A HA 0.608 4.929 4.320 0.001 0.000 0.246 361 A C -1.281 176.400 177.584 0.162 0.000 1.078 361 A CA -0.242 51.898 52.037 0.172 0.000 0.770 361 A CB 0.202 19.260 19.000 0.096 0.000 1.011 361 A HN 0.341 nan 8.150 nan 0.000 0.494 362 P HA 0.147 nan 4.420 nan 0.000 0.271 362 P C -0.323 176.927 177.300 -0.083 0.000 1.216 362 P CA -0.050 62.829 63.100 -0.368 0.000 0.776 362 P CB 0.756 32.145 31.700 -0.519 0.000 0.881 363 V N 4.198 124.068 119.914 -0.073 0.000 2.529 363 V HA -0.009 4.111 4.120 0.001 0.000 0.292 363 V C 0.948 177.097 176.094 0.091 0.000 1.028 363 V CA 0.449 62.766 62.300 0.029 0.000 1.074 363 V CB 0.886 32.729 31.823 0.033 0.000 0.958 363 V HN 0.296 nan 8.190 nan 0.000 0.481 364 V N 5.020 124.968 119.914 0.056 0.000 2.454 364 V HA 0.260 4.380 4.120 0.001 0.000 0.255 364 V C -0.298 175.793 176.094 -0.006 0.000 1.009 364 V CA -0.773 61.540 62.300 0.022 0.000 1.149 364 V CB 0.554 32.389 31.823 0.020 0.000 1.418 364 V HN 1.052 nan 8.190 nan 0.000 0.567 365 D N -1.211 119.188 120.400 -0.002 0.000 2.385 365 D HA 0.237 4.878 4.640 0.001 0.000 0.254 365 D C 0.976 177.265 176.300 -0.017 0.000 1.053 365 D CA -0.731 53.268 54.000 -0.002 0.000 0.992 365 D CB 1.112 41.919 40.800 0.012 0.000 1.145 365 D HN 0.076 nan 8.370 nan 0.000 0.523 366 D N -0.623 119.771 120.400 -0.008 0.000 2.149 366 D HA -0.274 4.366 4.640 0.001 0.000 0.194 366 D C 1.539 177.829 176.300 -0.017 0.000 1.001 366 D CA 1.753 55.746 54.000 -0.012 0.000 0.849 366 D CB 0.143 40.944 40.800 0.002 0.000 0.939 366 D HN 0.614 nan 8.370 nan 0.000 0.449 367 E N -0.663 119.534 120.200 -0.005 0.000 2.077 367 E HA -0.173 4.177 4.350 0.001 0.000 0.193 367 E C 2.236 178.832 176.600 -0.007 0.000 0.989 367 E CA 1.667 58.067 56.400 0.001 0.000 0.800 367 E CB 0.054 29.764 29.700 0.016 0.000 0.746 367 E HN 0.360 nan 8.360 nan 0.000 0.452 368 V N -0.841 119.067 119.914 -0.010 0.000 2.453 368 V HA -0.160 3.961 4.120 0.001 0.000 0.247 368 V C 2.316 178.339 176.094 -0.118 0.000 1.048 368 V CA 1.156 63.448 62.300 -0.014 0.000 1.049 368 V CB -0.705 31.143 31.823 0.041 0.000 0.672 368 V HN 0.216 nan 8.190 nan 0.000 0.457 369 L N 0.285 121.418 121.223 -0.151 0.000 2.079 369 L HA -0.169 4.171 4.340 0.001 0.000 0.210 369 L C 2.848 179.625 176.870 -0.155 0.000 1.081 369 L CA 2.250 56.961 54.840 -0.216 0.000 0.752 369 L CB -0.653 41.318 42.059 -0.147 0.000 0.896 369 L HN 0.452 nan 8.230 nan 0.000 0.433 370 E N 0.573 120.721 120.200 -0.085 0.000 2.153 370 E HA -0.157 4.193 4.350 0.001 0.000 0.194 370 E C 1.917 178.486 176.600 -0.051 0.000 0.988 370 E CA 1.371 57.739 56.400 -0.054 0.000 0.811 370 E CB -0.220 29.465 29.700 -0.026 0.000 0.746 370 E HN 0.335 nan 8.360 nan 0.000 0.466 371 G N -0.467 108.302 108.800 -0.052 0.000 3.042 371 G HA2 0.087 4.047 3.960 0.001 0.000 0.212 371 G HA3 0.087 4.047 3.960 0.001 0.000 0.212 371 G C 0.061 174.939 174.900 -0.037 0.000 1.166 371 G CA -0.022 45.065 45.100 -0.021 0.000 0.767 371 G HN 0.095 nan 8.290 nan 0.000 0.546 372 V N 2.021 121.845 119.914 -0.150 0.000 2.572 372 V HA 0.295 4.416 4.120 0.001 0.000 0.291 372 V C -0.046 175.984 176.094 -0.106 0.000 1.039 372 V CA -0.085 62.066 62.300 -0.249 0.000 1.055 372 V CB 0.830 32.270 31.823 -0.638 0.000 0.969 372 V HN 0.177 nan 8.190 nan 0.000 0.482 373 R N 3.892 124.391 120.500 -0.002 0.000 2.476 373 R HA 0.643 4.983 4.340 0.001 0.000 0.305 373 R C -0.894 175.443 176.300 0.061 0.000 0.965 373 R CA -0.419 55.697 56.100 0.026 0.000 0.867 373 R CB 1.837 32.164 30.300 0.045 0.000 1.176 373 R HN 0.623 nan 8.270 nan 0.000 0.447 374 V N -1.204 118.734 119.914 0.039 0.000 3.001 374 V HA 0.469 4.590 4.120 0.001 0.000 0.314 374 V C 0.646 176.760 176.094 0.034 0.000 1.099 374 V CA -0.839 61.495 62.300 0.056 0.000 0.989 374 V CB 2.438 34.297 31.823 0.060 0.000 1.040 374 V HN 0.452 nan 8.190 nan 0.000 0.434 375 D N 0.749 121.169 120.400 0.033 0.000 2.077 375 D HA -0.082 4.558 4.640 0.001 0.000 0.196 375 D C 0.659 176.962 176.300 0.005 0.000 0.986 375 D CA 2.079 56.089 54.000 0.018 0.000 0.829 375 D CB -0.002 40.809 40.800 0.017 0.000 0.983 375 D HN 0.956 nan 8.370 nan 0.000 0.453 376 D N 1.383 121.783 120.400 0.000 0.000 2.451 376 D HA -0.046 4.594 4.640 0.001 0.000 0.254 376 D C -1.397 174.887 176.300 -0.026 0.000 1.204 376 D CA -1.002 52.986 54.000 -0.020 0.000 0.896 376 D CB 1.265 42.044 40.800 -0.035 0.000 1.136 376 D HN 0.004 nan 8.370 nan 0.000 0.499 377 P HA -0.189 nan 4.420 nan 0.000 0.218 377 P C 1.086 178.359 177.300 -0.044 0.000 1.149 377 P CA 0.984 64.067 63.100 -0.028 0.000 0.817 377 P CB 0.307 31.992 31.700 -0.024 0.000 0.785 378 E N 0.683 120.842 120.200 -0.069 0.000 2.072 378 E HA -0.151 4.199 4.350 0.001 0.000 0.191 378 E C 1.976 178.497 176.600 -0.131 0.000 0.985 378 E CA 1.039 57.377 56.400 -0.102 0.000 0.801 378 E CB -0.064 29.555 29.700 -0.136 0.000 0.750 378 E HN 0.187 nan 8.360 nan 0.000 0.452 379 K N 0.113 120.432 120.400 -0.135 0.000 2.155 379 K HA -0.173 4.147 4.320 0.001 0.000 0.203 379 K C 2.241 178.848 176.600 0.011 0.000 1.052 379 K CA 1.116 57.343 56.287 -0.100 0.000 0.948 379 K CB -0.051 32.428 32.500 -0.035 0.000 0.728 379 K HN -0.003 nan 8.250 nan 0.000 0.448 380 Q N 1.144 120.939 119.800 -0.009 0.000 2.079 380 Q HA -0.078 4.262 4.340 0.001 0.000 0.200 380 Q C 1.807 177.805 176.000 -0.003 0.000 0.974 380 Q CA 1.915 57.716 55.803 -0.003 0.000 0.840 380 Q CB -0.215 28.518 28.738 -0.008 0.000 0.898 380 Q HN 0.280 nan 8.270 nan 0.000 0.430 381 A N -0.108 122.705 122.820 -0.012 0.000 2.066 381 A HA 0.163 4.483 4.320 0.001 0.000 0.218 381 A C 2.167 179.759 177.584 0.012 0.000 1.157 381 A CA 1.230 53.264 52.037 -0.005 0.000 0.670 381 A CB -0.785 18.206 19.000 -0.015 0.000 0.804 381 A HN 0.483 nan 8.150 nan 0.000 0.453 382 A N 0.063 122.893 122.820 0.017 0.000 2.067 382 A HA -0.007 4.313 4.320 0.001 0.000 0.219 382 A C 1.942 179.599 177.584 0.122 0.000 1.158 382 A CA 1.178 53.259 52.037 0.073 0.000 0.661 382 A CB -0.569 18.476 19.000 0.076 0.000 0.801 382 A HN 0.510 nan 8.150 nan 0.000 0.452 383 I N -0.219 120.396 120.570 0.076 0.000 2.361 383 I HA -0.223 3.948 4.170 0.001 0.000 0.251 383 I C 1.672 177.810 176.117 0.034 0.000 1.133 383 I CA 1.258 62.578 61.300 0.034 0.000 1.413 383 I CB -0.343 37.638 38.000 -0.031 0.000 1.073 383 I HN 0.250 nan 8.210 nan 0.000 0.424 384 D N 0.810 121.231 120.400 0.036 0.000 2.144 384 D HA -0.096 4.545 4.640 0.001 0.000 0.200 384 D C 2.379 178.722 176.300 0.071 0.000 0.978 384 D CA 1.128 55.151 54.000 0.039 0.000 0.833 384 D CB -0.066 40.752 40.800 0.030 0.000 0.961 384 D HN 0.317 nan 8.370 nan 0.000 0.470 385 L N 0.484 121.761 121.223 0.090 0.000 2.093 385 L HA -0.099 4.241 4.340 0.001 0.000 0.208 385 L C 2.492 179.467 176.870 0.174 0.000 1.085 385 L CA 0.615 55.533 54.840 0.129 0.000 0.755 385 L CB -0.247 41.890 42.059 0.129 0.000 0.904 385 L HN 0.015 nan 8.230 nan 0.000 0.435 386 I N -0.319 120.342 120.570 0.152 0.000 2.252 386 I HA -0.253 3.917 4.170 0.001 0.000 0.245 386 I C 2.562 178.765 176.117 0.144 0.000 1.102 386 I CA 1.193 62.583 61.300 0.151 0.000 1.385 386 I CB -0.257 37.807 38.000 0.107 0.000 1.064 386 I HN 0.204 nan 8.210 nan 0.000 0.414 387 K N 0.602 121.058 120.400 0.093 0.000 2.057 387 K HA -0.254 4.066 4.320 0.001 0.000 0.207 387 K C 2.025 178.684 176.600 0.099 0.000 1.049 387 K CA 1.637 57.967 56.287 0.072 0.000 0.931 387 K CB -0.291 32.232 32.500 0.038 0.000 0.714 387 K HN 0.385 nan 8.250 nan 0.000 0.440 388 E N 0.375 120.644 120.200 0.115 0.000 2.077 388 E HA -0.230 4.121 4.350 0.001 0.000 0.193 388 E C 1.994 178.679 176.600 0.142 0.000 0.989 388 E CA 0.951 57.423 56.400 0.120 0.000 0.800 388 E CB -0.169 29.602 29.700 0.119 0.000 0.746 388 E HN 0.302 nan 8.360 nan 0.000 0.452 389 Y N 1.123 121.458 120.300 0.058 0.000 2.181 389 Y HA -0.199 4.352 4.550 0.001 0.000 0.288 389 Y C 1.955 177.869 175.900 0.023 0.000 1.146 389 Y CA 1.709 59.837 58.100 0.047 0.000 1.164 389 Y CB -0.146 38.349 38.460 0.059 0.000 0.982 389 Y HN 0.043 nan 8.280 nan 0.000 0.515 390 L N -0.472 120.888 121.223 0.228 0.000 2.046 390 L HA -0.277 4.063 4.340 0.001 0.000 0.208 390 L C 2.719 179.603 176.870 0.023 0.000 1.077 390 L CA 1.615 56.528 54.840 0.122 0.000 0.747 390 L CB -0.592 41.527 42.059 0.099 0.000 0.896 390 L HN 0.372 nan 8.230 nan 0.000 0.432 391 M N 0.005 119.625 119.600 0.034 0.000 2.086 391 M HA -0.202 4.278 4.480 0.001 0.000 0.261 391 M C 2.359 178.649 176.300 -0.015 0.000 1.067 391 M CA 1.951 57.267 55.300 0.026 0.000 1.116 391 M CB -0.267 32.374 32.600 0.068 0.000 1.348 391 M HN 0.136 nan 8.290 nan 0.000 0.407 392 I N 0.736 121.275 120.570 -0.052 0.000 2.208 392 I HA -0.300 3.870 4.170 0.001 0.000 0.245 392 I C 2.470 178.460 176.117 -0.212 0.000 1.097 392 I CA 1.365 62.576 61.300 -0.148 0.000 1.363 392 I CB -1.522 36.359 38.000 -0.198 0.000 1.051 392 I HN 0.415 nan 8.210 nan 0.000 0.413 393 Q N 0.678 120.328 119.800 -0.249 0.000 2.124 393 Q HA -0.231 4.110 4.340 0.001 0.000 0.202 393 Q C 2.181 178.094 176.000 -0.145 0.000 0.977 393 Q CA 1.443 57.114 55.803 -0.219 0.000 0.850 393 Q CB -0.274 28.349 28.738 -0.192 0.000 0.901 393 Q HN 0.327 nan 8.270 nan 0.000 0.429 394 K N 0.589 120.923 120.400 -0.109 0.000 2.057 394 K HA -0.099 4.221 4.320 0.001 0.000 0.207 394 K C 1.873 178.390 176.600 -0.138 0.000 1.049 394 K CA 1.185 57.414 56.287 -0.096 0.000 0.931 394 K CB 0.027 32.495 32.500 -0.053 0.000 0.714 394 K HN -0.011 nan 8.250 nan 0.000 0.440 395 R N 0.208 120.622 120.500 -0.143 0.000 2.075 395 R HA 0.019 4.360 4.340 0.001 0.000 0.232 395 R C 2.424 178.568 176.300 -0.260 0.000 1.126 395 R CA 1.360 57.346 56.100 -0.189 0.000 0.963 395 R CB -0.635 29.559 30.300 -0.176 0.000 0.858 395 R HN 0.328 nan 8.270 nan 0.000 0.435 396 I N 0.083 120.524 120.570 -0.215 0.000 2.252 396 I HA -0.163 4.007 4.170 0.001 0.000 0.245 396 I C 2.468 178.434 176.117 -0.251 0.000 1.102 396 I CA 1.502 62.686 61.300 -0.193 0.000 1.385 396 I CB -0.682 37.260 38.000 -0.097 0.000 1.064 396 I HN 0.235 nan 8.210 nan 0.000 0.414 397 G N -0.108 108.564 108.800 -0.213 0.000 2.418 397 G HA2 -0.305 3.656 3.960 0.001 0.000 0.217 397 G HA3 -0.305 3.656 3.960 0.001 0.000 0.217 397 G C 1.567 176.300 174.900 -0.279 0.000 1.158 397 G CA 0.692 45.671 45.100 -0.201 0.000 0.771 397 G HN 0.406 nan 8.290 nan 0.000 0.545 398 Q N 0.661 120.243 119.800 -0.364 0.000 2.083 398 Q HA -0.093 4.247 4.340 0.001 0.000 0.198 398 Q C 2.705 178.095 176.000 -1.016 0.000 0.969 398 Q CA 1.979 57.450 55.803 -0.553 0.000 0.838 398 Q CB -0.119 28.312 28.738 -0.511 0.000 0.900 398 Q HN 0.585 nan 8.270 nan 0.000 0.436 399 S N -1.343 113.771 115.700 -0.978 0.000 2.439 399 S HA 0.218 4.688 4.470 0.001 0.000 0.224 399 S C 1.524 175.878 174.600 -0.410 0.000 1.029 399 S CA 0.421 58.073 58.200 -0.912 0.000 0.946 399 S CB 0.578 63.447 63.200 -0.551 0.000 0.797 399 S HN 0.418 nan 8.310 nan 0.000 0.504 400 A N 1.113 123.657 122.820 -0.459 0.000 1.878 400 A HA 0.436 4.756 4.320 0.001 0.000 0.201 400 A C 1.739 179.061 177.584 -0.437 0.000 1.684 400 A CA 0.220 51.930 52.037 -0.544 0.000 1.113 400 A CB 0.023 18.296 19.000 -1.211 0.000 1.131 400 A HN 0.378 nan 8.150 nan 0.000 0.472 401 E N 0.516 120.503 120.200 -0.355 0.000 2.364 401 E HA 0.167 4.517 4.350 0.001 0.000 0.196 401 E C 1.174 177.697 176.600 -0.128 0.000 0.990 401 E CA 0.147 56.427 56.400 -0.200 0.000 0.886 401 E CB 0.075 29.701 29.700 -0.122 0.000 0.866 401 E HN 0.482 nan 8.360 nan 0.000 0.493 402 G N 1.275 109.992 108.800 -0.138 0.000 2.614 402 G HA2 -0.121 3.839 3.960 0.001 0.000 0.239 402 G HA3 -0.121 3.839 3.960 0.001 0.000 0.239 402 G C -0.077 174.802 174.900 -0.035 0.000 1.240 402 G CA -0.227 44.824 45.100 -0.081 0.000 0.842 402 G HN -0.084 nan 8.290 nan 0.000 0.584 403 D N -0.371 120.033 120.400 0.007 0.000 2.218 403 D HA -0.044 4.596 4.640 0.001 0.000 0.204 403 D C 1.730 178.108 176.300 0.129 0.000 0.976 403 D CA 1.021 55.047 54.000 0.043 0.000 0.853 403 D CB 0.293 41.130 40.800 0.061 0.000 0.939 403 D HN 0.198 nan 8.370 nan 0.000 0.481 404 K N 0.206 120.713 120.400 0.179 0.000 2.593 404 K HA 0.384 4.705 4.320 0.001 0.000 0.208 404 K C -0.163 176.602 176.600 0.274 0.000 1.051 404 K CA -0.275 56.239 56.287 0.378 0.000 1.111 404 K CB 0.633 33.290 32.500 0.262 0.000 0.849 404 K HN -0.012 nan 8.250 nan 0.000 0.479 405 A N 0.647 123.531 122.820 0.106 0.000 2.520 405 A HA 0.022 4.342 4.320 0.001 0.000 0.235 405 A C 0.758 178.432 177.584 0.150 0.000 1.065 405 A CA -0.188 51.822 52.037 -0.045 0.000 0.764 405 A CB 0.044 18.960 19.000 -0.140 0.000 1.002 405 A HN 0.312 nan 8.150 nan 0.000 0.502 406 W N 1.483 122.807 121.300 0.040 0.000 2.338 406 W HA -0.170 4.490 4.660 0.001 0.000 0.304 406 W C 1.742 178.175 176.519 -0.143 0.000 1.212 406 W CA 0.965 58.257 57.345 -0.089 0.000 1.264 406 W CB -1.288 28.080 29.460 -0.153 0.000 1.142 406 W HN 0.653 nan 8.180 nan 0.000 0.512 407 L N -0.030 121.294 121.223 0.168 0.000 2.265 407 L HA -0.143 4.198 4.340 0.001 0.000 0.215 407 L C 2.440 179.331 176.870 0.034 0.000 1.117 407 L CA 1.176 56.082 54.840 0.111 0.000 0.782 407 L CB -0.622 41.469 42.059 0.053 0.000 0.914 407 L HN -0.037 nan 8.230 nan 0.000 0.441 408 R N -1.858 118.645 120.500 0.005 0.000 2.210 408 R HA -0.033 4.307 4.340 0.001 0.000 0.203 408 R C 1.531 177.711 176.300 -0.201 0.000 1.010 408 R CA 0.633 56.669 56.100 -0.107 0.000 1.008 408 R CB 0.097 30.298 30.300 -0.164 0.000 0.923 408 R HN 0.262 nan 8.270 nan 0.000 0.469 409 Y N 0.500 120.812 120.300 0.020 0.000 2.497 409 Y HA 0.055 4.606 4.550 0.001 0.000 0.265 409 Y C 0.836 176.743 175.900 0.011 0.000 1.111 409 Y CA -0.544 57.576 58.100 0.034 0.000 1.288 409 Y CB 0.575 39.080 38.460 0.076 0.000 1.082 409 Y HN -0.212 nan 8.280 nan 0.000 0.536 410 V N 0.360 120.315 119.914 0.069 0.000 2.557 410 V HA 0.446 4.567 4.120 0.001 0.000 0.301 410 V C 0.482 176.632 176.094 0.093 0.000 1.026 410 V CA -0.943 61.382 62.300 0.041 0.000 1.137 410 V CB -0.273 31.584 31.823 0.055 0.000 0.917 410 V HN 0.176 nan 8.190 nan 0.000 0.484 411 A N 4.067 126.972 122.820 0.143 0.000 2.257 411 A HA 0.511 4.832 4.320 0.001 0.000 0.290 411 A C 1.220 178.857 177.584 0.087 0.000 1.201 411 A CA -0.325 51.791 52.037 0.131 0.000 0.863 411 A CB 0.224 19.351 19.000 0.211 0.000 1.256 411 A HN 0.860 nan 8.150 nan 0.000 0.506 412 E N 0.334 120.569 120.200 0.058 0.000 2.153 412 E HA -0.167 4.183 4.350 0.001 0.000 0.194 412 E C 0.893 177.511 176.600 0.030 0.000 0.988 412 E CA 1.497 57.916 56.400 0.032 0.000 0.811 412 E CB -0.261 29.447 29.700 0.013 0.000 0.746 412 E HN 0.755 nan 8.360 nan 0.000 0.466 413 D N -0.795 119.636 120.400 0.053 0.000 2.352 413 D HA 0.024 4.664 4.640 0.001 0.000 0.232 413 D C 1.101 177.401 176.300 0.000 0.000 1.055 413 D CA 0.724 54.738 54.000 0.023 0.000 0.891 413 D CB -0.430 40.399 40.800 0.047 0.000 0.897 413 D HN 0.137 nan 8.370 nan 0.000 0.529 414 G N -0.063 108.755 108.800 0.030 0.000 2.176 414 G HA2 -0.317 3.644 3.960 0.001 0.000 0.252 414 G HA3 -0.317 3.644 3.960 0.001 0.000 0.252 414 G C -0.038 174.885 174.900 0.040 0.000 1.024 414 G CA 0.376 45.494 45.100 0.029 0.000 0.755 414 G HN 0.523 nan 8.290 nan 0.000 0.507 415 K N -0.969 119.453 120.400 0.037 0.000 2.443 415 K HA 0.747 5.068 4.320 0.001 0.000 0.251 415 K C -0.224 176.333 176.600 -0.072 0.000 0.972 415 K CA -1.046 55.219 56.287 -0.037 0.000 0.833 415 K CB 2.117 34.505 32.500 -0.187 0.000 1.317 415 K HN 0.104 nan 8.250 nan 0.000 0.441 416 I N 2.523 123.036 120.570 -0.094 0.000 2.354 416 I HA 0.188 4.359 4.170 0.001 0.000 0.292 416 I C -0.166 175.907 176.117 -0.073 0.000 0.989 416 I CA -0.607 60.673 61.300 -0.034 0.000 1.188 416 I CB 0.891 38.847 38.000 -0.072 0.000 1.342 416 I HN 0.476 nan 8.210 nan 0.000 0.457 417 H N 5.838 124.999 119.070 0.151 0.000 2.482 417 H HA 0.220 4.777 4.556 0.001 0.000 0.231 417 H C 0.562 175.961 175.328 0.119 0.000 1.612 417 H CA -0.362 55.772 56.048 0.144 0.000 1.279 417 H CB 0.592 30.427 29.762 0.122 0.000 1.562 417 H HN 0.770 nan 8.280 nan 0.000 0.553 418 G N 1.257 110.158 108.800 0.169 0.000 2.491 418 G HA2 0.094 4.054 3.960 0.001 0.000 0.238 418 G HA3 0.094 4.054 3.960 0.001 0.000 0.238 418 G C 0.071 175.056 174.900 0.141 0.000 1.277 418 G CA -0.342 44.825 45.100 0.112 0.000 0.851 418 G HN 0.330 nan 8.290 nan 0.000 0.573 419 S N -0.848 114.932 115.700 0.133 0.000 2.610 419 S HA 0.555 5.025 4.470 0.001 0.000 0.273 419 S C -0.088 174.548 174.600 0.059 0.000 1.274 419 S CA -0.527 57.755 58.200 0.136 0.000 1.023 419 S CB 1.788 65.132 63.200 0.240 0.000 0.962 419 S HN 0.504 nan 8.310 nan 0.000 0.523 420 V N 2.707 122.641 119.914 0.033 0.000 2.686 420 V HA 0.410 4.531 4.120 0.001 0.000 0.306 420 V C -0.540 175.531 176.094 -0.039 0.000 1.065 420 V CA -0.940 61.317 62.300 -0.072 0.000 0.894 420 V CB 2.018 33.815 31.823 -0.042 0.000 1.004 420 V HN 0.858 nan 8.190 nan 0.000 0.424 421 N N 5.759 124.407 118.700 -0.086 0.000 2.527 421 N HA 0.355 5.095 4.740 0.001 0.000 0.236 421 N C -1.950 173.550 175.510 -0.016 0.000 0.999 421 N CA -2.109 50.927 53.050 -0.023 0.000 0.935 421 N CB 2.194 40.670 38.487 -0.018 0.000 1.132 421 N HN 0.224 nan 8.380 nan 0.000 0.511 422 P HA -0.098 nan 4.420 nan 0.000 0.219 422 P C -0.181 177.213 177.300 0.156 0.000 1.144 422 P CA 1.330 64.521 63.100 0.151 0.000 0.806 422 P CB 0.288 32.073 31.700 0.141 0.000 0.771 423 N N -2.287 116.466 118.700 0.089 0.000 2.628 423 N HA 0.204 4.944 4.740 0.001 0.000 0.299 423 N C 1.050 176.596 175.510 0.060 0.000 1.834 423 N CA -0.075 53.030 53.050 0.093 0.000 0.871 423 N CB -0.411 38.129 38.487 0.088 0.000 1.377 423 N HN -0.175 nan 8.380 nan 0.000 0.493 424 G N -0.794 108.028 108.800 0.037 0.000 2.572 424 G HA2 0.219 4.179 3.960 0.001 0.000 0.216 424 G HA3 0.219 4.179 3.960 0.001 0.000 0.216 424 G C 0.518 175.440 174.900 0.037 0.000 1.133 424 G CA 0.479 45.595 45.100 0.027 0.000 0.791 424 G HN 0.462 nan 8.290 nan 0.000 0.538 425 A N 0.071 122.921 122.820 0.049 0.000 2.312 425 A HA 0.563 4.883 4.320 0.001 0.000 0.328 425 A C 1.617 179.236 177.584 0.059 0.000 1.158 425 A CA 0.079 52.145 52.037 0.049 0.000 0.821 425 A CB 1.469 20.499 19.000 0.050 0.000 1.170 425 A HN 0.711 nan 8.150 nan 0.000 0.490 426 V N 0.478 120.425 119.914 0.055 0.000 2.380 426 V HA -0.241 3.880 4.120 0.001 0.000 0.251 426 V C 1.929 178.070 176.094 0.078 0.000 1.063 426 V CA 2.826 65.169 62.300 0.071 0.000 1.055 426 V CB -2.071 29.805 31.823 0.089 0.000 0.657 426 V HN 1.086 nan 8.190 nan 0.000 0.455 427 T N -2.733 111.861 114.554 0.066 0.000 3.072 427 T HA 0.369 4.720 4.350 0.001 0.000 0.266 427 T C 1.699 176.462 174.700 0.105 0.000 1.127 427 T CA 1.181 63.326 62.100 0.074 0.000 1.107 427 T CB 0.166 69.066 68.868 0.054 0.000 0.910 427 T HN 1.684 nan 8.240 nan 0.000 0.513 428 G N 0.992 109.860 108.800 0.113 0.000 2.184 428 G HA2 -0.189 3.772 3.960 0.001 0.000 0.206 428 G HA3 -0.189 3.772 3.960 0.001 0.000 0.206 428 G C 0.219 175.228 174.900 0.182 0.000 0.995 428 G CA -0.360 44.830 45.100 0.149 0.000 0.651 428 G HN 0.616 nan 8.290 nan 0.000 0.511 429 R N 0.682 121.272 120.500 0.149 0.000 2.679 429 R HA 0.612 4.952 4.340 0.001 0.000 0.269 429 R C 0.849 177.205 176.300 0.094 0.000 1.076 429 R CA 0.422 56.613 56.100 0.151 0.000 1.160 429 R CB 0.633 31.015 30.300 0.136 0.000 1.054 429 R HN 0.478 nan 8.270 nan 0.000 0.507 430 A N 0.760 123.564 122.820 -0.025 0.000 2.264 430 A HA 0.426 4.746 4.320 0.001 0.000 0.304 430 A C -0.084 177.404 177.584 -0.159 0.000 1.100 430 A CA -0.447 51.508 52.037 -0.137 0.000 0.839 430 A CB 0.898 19.696 19.000 -0.337 0.000 1.121 430 A HN 0.744 nan 8.150 nan 0.000 0.496 431 T N -1.078 113.350 114.554 -0.211 0.000 2.912 431 T HA 0.716 5.067 4.350 0.001 0.000 0.288 431 T C -0.841 173.684 174.700 -0.292 0.000 1.030 431 T CA -0.605 61.442 62.100 -0.088 0.000 1.020 431 T CB 1.069 69.922 68.868 -0.025 0.000 1.056 431 T HN 0.655 nan 8.240 nan 0.000 0.480 432 H N 0.028 119.040 119.070 -0.095 0.000 2.637 432 H HA 0.872 5.428 4.556 0.001 0.000 0.363 432 H C -0.176 175.041 175.328 -0.185 0.000 1.131 432 H CA -0.501 55.481 56.048 -0.110 0.000 1.183 432 H CB 1.811 31.516 29.762 -0.097 0.000 1.637 432 H HN 1.142 nan 8.280 nan 0.000 0.531 433 A N 1.008 123.736 122.820 -0.153 0.000 2.586 433 A HA 0.569 4.890 4.320 0.001 0.000 0.290 433 A C -1.511 175.823 177.584 -0.416 0.000 1.086 433 A CA -0.965 50.789 52.037 -0.472 0.000 0.665 433 A CB 0.474 18.880 19.000 -0.990 0.000 1.279 433 A HN 0.601 nan 8.150 nan 0.000 0.423 434 F N -2.061 117.798 119.950 -0.153 0.000 2.985 434 F HA -0.128 4.399 4.527 0.001 0.000 0.303 434 F C -2.205 173.090 175.800 -0.841 0.000 0.976 434 F CA 0.625 58.357 58.000 -0.448 0.000 1.013 434 F CB -2.370 36.502 39.000 -0.213 0.000 1.060 434 F HN 0.429 nan 8.300 nan 0.000 0.780 435 P HA 0.210 nan 4.420 nan 0.000 0.284 435 P C -0.237 177.022 177.300 -0.069 0.000 1.287 435 P CA -0.520 62.473 63.100 -0.178 0.000 0.824 435 P CB 1.066 32.805 31.700 0.064 0.000 1.180 436 N N 0.871 119.556 118.700 -0.025 0.000 2.415 436 N HA 0.082 4.823 4.740 0.001 0.000 0.250 436 N C 0.751 176.264 175.510 0.004 0.000 1.127 436 N CA -0.011 53.030 53.050 -0.016 0.000 0.945 436 N CB -0.711 37.755 38.487 -0.034 0.000 1.196 436 N HN 0.291 nan 8.380 nan 0.000 0.499 437 L N 1.799 123.021 121.223 -0.002 0.000 2.610 437 L HA 0.092 4.432 4.340 0.001 0.000 0.232 437 L C 1.448 178.264 176.870 -0.089 0.000 1.149 437 L CA 0.236 55.046 54.840 -0.051 0.000 0.872 437 L CB -0.184 41.909 42.059 0.057 0.000 0.992 437 L HN 0.512 nan 8.230 nan 0.000 0.447 438 A N 0.063 122.750 122.820 -0.222 0.000 2.423 438 A HA 0.064 4.384 4.320 0.001 0.000 0.246 438 A C 1.337 178.820 177.584 -0.168 0.000 1.278 438 A CA -0.153 51.690 52.037 -0.323 0.000 0.903 438 A CB -0.056 18.470 19.000 -0.790 0.000 0.997 438 A HN 0.561 nan 8.150 nan 0.000 0.510 439 Q N -0.084 119.644 119.800 -0.119 0.000 2.084 439 Q HA 0.316 4.656 4.340 0.001 0.000 0.230 439 Q C -0.602 175.368 176.000 -0.050 0.000 0.806 439 Q CA -0.519 55.243 55.803 -0.068 0.000 1.083 439 Q CB 0.142 28.866 28.738 -0.024 0.000 1.208 439 Q HN 0.262 nan 8.270 nan 0.000 0.462 440 I N 2.945 123.422 120.570 -0.155 0.000 2.618 440 I HA 0.206 4.376 4.170 0.001 0.000 0.284 440 I C -1.972 174.068 176.117 -0.128 0.000 1.146 440 I CA -2.242 58.984 61.300 -0.124 0.000 1.425 440 I CB -0.213 37.451 38.000 -0.561 0.000 1.383 440 I HN 0.070 nan 8.210 nan 0.000 0.562 441 P HA 0.027 nan 4.420 nan 0.000 0.262 441 P C 0.386 177.637 177.300 -0.081 0.000 1.182 441 P CA 0.133 63.235 63.100 0.003 0.000 0.761 441 P CB 0.412 32.169 31.700 0.095 0.000 0.795 442 G N 1.607 110.355 108.800 -0.087 0.000 2.569 442 G HA2 0.212 4.173 3.960 0.001 0.000 0.249 442 G HA3 0.212 4.173 3.960 0.001 0.000 0.249 442 G C 1.311 176.179 174.900 -0.054 0.000 1.216 442 G CA -0.413 44.624 45.100 -0.104 0.000 0.845 442 G HN 0.437 nan 8.290 nan 0.000 0.568 443 V N -0.499 119.387 119.914 -0.048 0.000 2.688 443 V HA -0.113 4.007 4.120 0.001 0.000 0.256 443 V C 2.199 178.290 176.094 -0.005 0.000 1.084 443 V CA 1.600 63.882 62.300 -0.030 0.000 1.103 443 V CB -0.610 31.175 31.823 -0.063 0.000 0.688 443 V HN 0.668 nan 8.190 nan 0.000 0.480 444 R N 1.579 122.086 120.500 0.010 0.000 2.276 444 R HA 0.170 4.510 4.340 0.001 0.000 0.196 444 R C 1.189 177.487 176.300 -0.004 0.000 0.961 444 R CA 0.724 56.829 56.100 0.009 0.000 1.024 444 R CB 0.007 30.318 30.300 0.018 0.000 0.940 444 R HN 0.771 nan 8.270 nan 0.000 0.480 445 S N 0.996 116.694 115.700 -0.003 0.000 2.646 445 S HA 0.382 4.852 4.470 0.001 0.000 0.276 445 S C -2.601 171.998 174.600 -0.002 0.000 1.222 445 S CA -1.759 56.443 58.200 0.002 0.000 1.014 445 S CB 1.621 64.831 63.200 0.016 0.000 0.991 445 S HN -0.198 nan 8.310 nan 0.000 0.533 446 P HA 0.085 nan 4.420 nan 0.000 0.260 446 P C -0.612 176.715 177.300 0.045 0.000 1.172 446 P CA 0.630 63.676 63.100 -0.090 0.000 0.760 446 P CB -0.405 31.274 31.700 -0.035 0.000 0.773 447 Y N 0.925 121.239 120.300 0.024 0.000 4.916 447 Y HA -0.267 4.283 4.550 0.001 0.000 0.247 447 Y C 1.972 177.905 175.900 0.055 0.000 0.962 447 Y CA 1.287 59.411 58.100 0.041 0.000 1.933 447 Y CB -2.507 35.981 38.460 0.045 0.000 1.451 447 Y HN 0.524 nan 8.280 nan 0.000 0.539 448 G N 0.024 108.900 108.800 0.126 0.000 2.442 448 G HA2 -0.238 3.722 3.960 0.001 0.000 0.219 448 G HA3 -0.238 3.722 3.960 0.001 0.000 0.219 448 G C 1.351 176.288 174.900 0.062 0.000 1.141 448 G CA 1.209 46.360 45.100 0.085 0.000 0.763 448 G HN 0.613 nan 8.290 nan 0.000 0.554 449 E N -0.024 120.201 120.200 0.042 0.000 2.110 449 E HA -0.144 4.207 4.350 0.001 0.000 0.193 449 E C 2.616 179.258 176.600 0.069 0.000 0.988 449 E CA 0.967 57.383 56.400 0.027 0.000 0.804 449 E CB -0.103 29.600 29.700 0.004 0.000 0.745 449 E HN 0.524 nan 8.360 nan 0.000 0.458 450 Q N -0.138 119.729 119.800 0.112 0.000 2.083 450 Q HA -0.122 4.219 4.340 0.001 0.000 0.198 450 Q C 2.373 178.464 176.000 0.152 0.000 0.969 450 Q CA 1.213 57.093 55.803 0.128 0.000 0.838 450 Q CB -0.048 28.791 28.738 0.168 0.000 0.900 450 Q HN 0.322 nan 8.270 nan 0.000 0.436 451 C N -0.009 119.424 119.300 0.221 0.000 2.436 451 C HA -0.118 4.343 4.460 0.001 0.000 0.277 451 C C 2.597 177.714 174.990 0.211 0.000 1.241 451 C CA 0.732 59.939 59.018 0.316 0.000 1.721 451 C CB -0.760 27.243 27.740 0.438 0.000 2.043 451 C HN 0.431 nan 8.230 nan 0.000 0.472 452 R N 1.163 121.731 120.500 0.114 0.000 2.091 452 R HA -0.063 4.278 4.340 0.001 0.000 0.238 452 R C 2.182 178.613 176.300 0.219 0.000 1.136 452 R CA 1.754 57.900 56.100 0.076 0.000 0.959 452 R CB -0.691 29.578 30.300 -0.052 0.000 0.856 452 R HN 0.540 nan 8.270 nan 0.000 0.437 453 A N -0.319 122.596 122.820 0.159 0.000 2.067 453 A HA 0.006 4.326 4.320 0.001 0.000 0.219 453 A C 2.122 179.837 177.584 0.217 0.000 1.158 453 A CA 1.459 53.603 52.037 0.178 0.000 0.661 453 A CB -0.598 18.471 19.000 0.116 0.000 0.801 453 A HN 0.393 nan 8.150 nan 0.000 0.452 454 A N -1.431 121.415 122.820 0.043 0.000 2.119 454 A HA 0.308 4.628 4.320 0.001 0.000 0.217 454 A C 0.284 177.619 177.584 -0.415 0.000 1.153 454 A CA 0.212 52.039 52.037 -0.350 0.000 0.692 454 A CB -0.345 18.282 19.000 -0.621 0.000 0.799 454 A HN 0.347 nan 8.150 nan 0.000 0.458 455 F N -0.015 119.925 119.950 -0.016 0.000 2.361 455 F HA 0.581 5.108 4.527 0.001 0.000 0.364 455 F C 0.731 176.679 175.800 0.247 0.000 1.120 455 F CA 0.093 58.031 58.000 -0.103 0.000 1.102 455 F CB 1.568 40.219 39.000 -0.581 0.000 1.183 455 F HN 0.149 nan 8.300 nan 0.000 0.476 456 G N 0.838 110.018 108.800 0.633 0.000 2.616 456 G HA2 0.457 4.417 3.960 0.001 0.000 0.294 456 G HA3 0.457 4.417 3.960 0.001 0.000 0.294 456 G C 0.013 175.110 174.900 0.329 0.000 1.489 456 G CA -0.240 45.155 45.100 0.491 0.000 0.836 456 G HN 0.676 nan 8.290 nan 0.000 0.527 457 A N 0.340 123.325 122.820 0.275 0.000 1.978 457 A HA -0.025 4.295 4.320 0.001 0.000 0.220 457 A C 2.007 179.703 177.584 0.187 0.000 1.170 457 A CA 2.266 54.473 52.037 0.284 0.000 0.636 457 A CB -0.540 18.666 19.000 0.343 0.000 0.810 457 A HN 1.032 nan 8.150 nan 0.000 0.448 458 E N -0.757 119.447 120.200 0.007 0.000 2.209 458 E HA -0.254 4.097 4.350 0.001 0.000 0.196 458 E C 1.183 177.694 176.600 -0.147 0.000 0.993 458 E CA 1.412 57.754 56.400 -0.097 0.000 0.819 458 E CB -0.590 28.972 29.700 -0.229 0.000 0.745 458 E HN 0.744 nan 8.360 nan 0.000 0.477 459 H N -0.583 118.532 119.070 0.075 0.000 2.547 459 H HA 0.085 4.641 4.556 0.001 0.000 0.266 459 H C -0.168 175.136 175.328 -0.040 0.000 0.988 459 H CA 0.701 56.749 56.048 -0.001 0.000 1.147 459 H CB -0.371 29.374 29.762 -0.029 0.000 1.365 459 H HN 0.339 nan 8.280 nan 0.000 0.589 460 H N 0.538 119.555 119.070 -0.087 0.000 2.476 460 H HA 0.385 4.941 4.556 0.001 0.000 0.328 460 H C -0.729 174.476 175.328 -0.205 0.000 1.073 460 H CA -0.559 55.302 56.048 -0.312 0.000 1.229 460 H CB 0.414 29.749 29.762 -0.712 0.000 1.432 460 H HN -0.031 nan 8.280 nan 0.000 0.477 461 L N 4.308 125.095 121.223 -0.728 0.000 2.289 461 L HA 0.224 4.564 4.340 0.001 0.000 0.285 461 L C 0.228 176.744 176.870 -0.590 0.000 1.049 461 L CA -0.936 53.648 54.840 -0.427 0.000 0.804 461 L CB 1.201 43.116 42.059 -0.240 0.000 1.195 461 L HN 0.737 nan 8.230 nan 0.000 0.428 462 D N 1.911 122.248 120.400 -0.104 0.000 2.525 462 D HA 0.014 4.654 4.640 0.001 0.000 0.235 462 D C 1.315 177.625 176.300 0.017 0.000 1.137 462 D CA 0.769 54.853 54.000 0.141 0.000 0.868 462 D CB 1.496 42.540 40.800 0.406 0.000 1.180 462 D HN 0.661 nan 8.370 nan 0.000 0.465 463 G N 3.407 112.253 108.800 0.076 0.000 2.470 463 G HA2 -0.172 3.789 3.960 0.001 0.000 0.220 463 G HA3 -0.172 3.789 3.960 0.001 0.000 0.220 463 G C 1.189 176.124 174.900 0.059 0.000 1.121 463 G CA 0.498 45.626 45.100 0.046 0.000 0.766 463 G HN 0.517 nan 8.290 nan 0.000 0.553 464 I N 0.879 121.507 120.570 0.097 0.000 2.900 464 I HA 0.010 4.181 4.170 0.001 0.000 0.251 464 I C 2.926 179.077 176.117 0.056 0.000 1.102 464 I CA 1.841 63.185 61.300 0.073 0.000 1.457 464 I CB -1.238 36.814 38.000 0.086 0.000 1.285 464 I HN 0.271 nan 8.210 nan 0.000 0.459 465 T N -1.504 113.094 114.554 0.074 0.000 3.067 465 T HA 0.168 4.519 4.350 0.001 0.000 0.261 465 T C 1.643 176.366 174.700 0.039 0.000 1.110 465 T CA 0.848 62.981 62.100 0.054 0.000 1.113 465 T CB 0.052 68.958 68.868 0.064 0.000 0.917 465 T HN 0.520 nan 8.240 nan 0.000 0.499 466 G N 1.585 110.404 108.800 0.032 0.000 2.184 466 G HA2 -0.234 3.726 3.960 0.001 0.000 0.264 466 G HA3 -0.234 3.726 3.960 0.001 0.000 0.264 466 G C 0.023 174.930 174.900 0.013 0.000 0.975 466 G CA 0.168 45.266 45.100 -0.004 0.000 0.642 466 G HN 0.609 nan 8.290 nan 0.000 0.536 467 K N 1.337 121.774 120.400 0.061 0.000 2.174 467 K HA 0.429 4.749 4.320 0.001 0.000 0.275 467 K C -2.137 174.549 176.600 0.143 0.000 1.015 467 K CA -2.246 54.088 56.287 0.079 0.000 0.933 467 K CB 1.247 33.793 32.500 0.076 0.000 1.025 467 K HN 0.182 nan 8.250 nan 0.000 0.463 468 P HA 0.019 nan 4.420 nan 0.000 0.269 468 P C -0.455 177.045 177.300 0.332 0.000 1.209 468 P CA -0.166 63.034 63.100 0.166 0.000 0.776 468 P CB 0.454 32.202 31.700 0.080 0.000 0.876 469 W N 1.619 122.976 121.300 0.095 0.000 2.141 469 W HA 0.332 4.992 4.660 0.001 0.000 0.354 469 W C -0.049 176.528 176.519 0.097 0.000 1.297 469 W CA -0.104 57.331 57.345 0.151 0.000 1.380 469 W CB 0.193 29.834 29.460 0.301 0.000 1.168 469 W HN 0.051 nan 8.180 nan 0.000 0.639 470 V N 0.687 120.754 119.914 0.255 0.000 2.919 470 V HA 0.373 4.493 4.120 0.001 0.000 0.316 470 V C -0.506 175.683 176.094 0.158 0.000 1.077 470 V CA -1.219 61.167 62.300 0.143 0.000 0.977 470 V CB 1.563 33.415 31.823 0.049 0.000 1.039 470 V HN 0.419 nan 8.190 nan 0.000 0.441 471 Q N 1.373 121.242 119.800 0.115 0.000 2.312 471 Q HA 0.756 5.096 4.340 0.001 0.000 0.263 471 Q C -0.825 175.203 176.000 0.047 0.000 0.995 471 Q CA -0.645 55.213 55.803 0.091 0.000 0.853 471 Q CB 1.894 30.696 28.738 0.107 0.000 1.300 471 Q HN 0.960 nan 8.270 nan 0.000 0.448 472 A N 2.468 125.290 122.820 0.004 0.000 2.291 472 A HA 0.719 5.039 4.320 0.001 0.000 0.311 472 A C -0.329 177.236 177.584 -0.031 0.000 1.224 472 A CA -0.310 51.719 52.037 -0.013 0.000 0.821 472 A CB 1.096 20.066 19.000 -0.050 0.000 1.172 472 A HN 0.728 nan 8.150 nan 0.000 0.494 473 G N 1.913 110.729 108.800 0.027 0.000 2.415 473 G HA2 0.560 4.521 3.960 0.001 0.000 0.317 473 G HA3 0.560 4.521 3.960 0.001 0.000 0.317 473 G C -0.826 174.130 174.900 0.095 0.000 1.152 473 G CA -0.233 44.899 45.100 0.054 0.000 0.956 473 G HN 0.538 nan 8.290 nan 0.000 0.458 474 I N 1.354 121.991 120.570 0.110 0.000 2.474 474 I HA 0.618 4.788 4.170 0.001 0.000 0.294 474 I C 0.207 176.522 176.117 0.330 0.000 1.005 474 I CA -0.304 61.121 61.300 0.208 0.000 1.113 474 I CB 2.230 40.382 38.000 0.254 0.000 1.289 474 I HN 0.563 nan 8.210 nan 0.000 0.436 475 D N 3.796 124.343 120.400 0.246 0.000 2.671 475 D HA 0.853 5.494 4.640 0.001 0.000 0.232 475 D C -0.519 175.780 176.300 -0.001 0.000 1.114 475 D CA -0.655 53.461 54.000 0.194 0.000 0.858 475 D CB 1.888 42.782 40.800 0.155 0.000 1.544 475 D HN 0.899 nan 8.370 nan 0.000 0.471 476 A N 0.805 123.551 122.820 -0.124 0.000 2.401 476 A HA 0.586 4.906 4.320 0.001 0.000 0.259 476 A C 0.576 178.115 177.584 -0.076 0.000 1.103 476 A CA -0.190 51.691 52.037 -0.259 0.000 0.789 476 A CB 0.050 18.868 19.000 -0.303 0.000 1.035 476 A HN 0.676 nan 8.150 nan 0.000 0.491 477 S N 1.360 117.021 115.700 -0.065 0.000 2.465 477 S HA 0.452 4.922 4.470 0.001 0.000 0.279 477 S C 1.153 175.779 174.600 0.043 0.000 1.201 477 S CA 0.325 58.527 58.200 0.002 0.000 1.053 477 S CB 0.889 64.089 63.200 0.001 0.000 0.953 477 S HN 1.985 nan 8.310 nan 0.000 0.488 478 G N 2.470 111.322 108.800 0.086 0.000 2.451 478 G HA2 -0.257 3.703 3.960 0.001 0.000 0.296 478 G HA3 -0.257 3.703 3.960 0.001 0.000 0.296 478 G C 0.675 175.667 174.900 0.155 0.000 0.922 478 G CA 0.339 45.529 45.100 0.150 0.000 1.074 478 G HN 0.684 nan 8.290 nan 0.000 0.509 479 L N 0.170 121.469 121.223 0.128 0.000 2.042 479 L HA 0.052 4.392 4.340 0.001 0.000 0.210 479 L C 2.876 179.874 176.870 0.213 0.000 1.076 479 L CA 3.402 58.324 54.840 0.137 0.000 0.749 479 L CB -0.922 41.197 42.059 0.099 0.000 0.893 479 L HN 0.660 nan 8.230 nan 0.000 0.432 480 E N -0.399 119.946 120.200 0.243 0.000 2.058 480 E HA -0.218 4.132 4.350 0.001 0.000 0.194 480 E C 2.160 178.938 176.600 0.296 0.000 0.997 480 E CA 1.955 58.527 56.400 0.287 0.000 0.801 480 E CB -1.106 28.791 29.700 0.327 0.000 0.746 480 E HN 0.645 nan 8.360 nan 0.000 0.450 481 L N -0.567 120.828 121.223 0.287 0.000 2.141 481 L HA -0.105 4.236 4.340 0.001 0.000 0.209 481 L C 2.965 179.997 176.870 0.270 0.000 1.094 481 L CA 1.250 56.244 54.840 0.257 0.000 0.763 481 L CB -0.254 41.912 42.059 0.178 0.000 0.908 481 L HN 0.286 nan 8.230 nan 0.000 0.437 482 R N -1.082 119.566 120.500 0.247 0.000 2.115 482 R HA -0.098 4.242 4.340 0.001 0.000 0.226 482 R C 2.346 178.842 176.300 0.327 0.000 1.100 482 R CA 1.294 57.548 56.100 0.256 0.000 0.980 482 R CB -0.561 29.877 30.300 0.230 0.000 0.875 482 R HN 0.393 nan 8.270 nan 0.000 0.445 483 C N 0.734 120.262 119.300 0.381 0.000 2.440 483 C HA -0.046 4.415 4.460 0.001 0.000 0.278 483 C C 2.562 177.783 174.990 0.385 0.000 1.295 483 C CA 0.179 59.469 59.018 0.453 0.000 1.738 483 C CB -0.814 27.224 27.740 0.497 0.000 1.987 483 C HN 0.424 nan 8.230 nan 0.000 0.492 484 L N 2.056 123.488 121.223 0.348 0.000 2.017 484 L HA -0.006 4.334 4.340 0.001 0.000 0.208 484 L C 2.560 179.550 176.870 0.200 0.000 1.073 484 L CA 2.412 57.426 54.840 0.291 0.000 0.745 484 L CB -0.972 41.212 42.059 0.207 0.000 0.894 484 L HN 0.242 nan 8.230 nan 0.000 0.432 485 A N -1.168 121.791 122.820 0.233 0.000 1.940 485 A HA -0.317 4.003 4.320 0.001 0.000 0.219 485 A C 2.271 179.880 177.584 0.041 0.000 1.176 485 A CA 1.869 54.040 52.037 0.223 0.000 0.631 485 A CB -1.132 18.046 19.000 0.297 0.000 0.814 485 A HN 0.782 nan 8.150 nan 0.000 0.446 486 H N -1.333 117.609 119.070 -0.214 0.000 2.290 486 H HA -0.147 4.409 4.556 0.001 0.000 0.298 486 H C 1.533 176.582 175.328 -0.464 0.000 1.087 486 H CA 2.289 57.978 56.048 -0.598 0.000 1.291 486 H CB -0.462 28.408 29.762 -1.487 0.000 1.369 486 H HN 0.405 nan 8.280 nan 0.000 0.492 487 F N 0.671 120.477 119.950 -0.241 0.000 2.365 487 F HA -0.121 4.407 4.527 0.001 0.000 0.300 487 F C 2.406 178.158 175.800 -0.081 0.000 1.090 487 F CA 1.281 59.157 58.000 -0.207 0.000 1.408 487 F CB -0.369 38.631 39.000 -0.000 0.000 1.060 487 F HN 0.372 nan 8.300 nan 0.000 0.534 488 M N -1.725 117.947 119.600 0.121 0.000 2.556 488 M HA 0.352 4.832 4.480 0.001 0.000 0.245 488 M C 2.016 178.374 176.300 0.096 0.000 1.128 488 M CA 0.908 56.327 55.300 0.198 0.000 1.069 488 M CB -0.825 31.817 32.600 0.070 0.000 1.469 488 M HN -0.008 nan 8.290 nan 0.000 0.494 489 A N 3.057 125.837 122.820 -0.067 0.000 1.978 489 A HA -0.192 4.128 4.320 0.001 0.000 0.220 489 A C 2.359 179.841 177.584 -0.169 0.000 1.170 489 A CA 1.948 53.918 52.037 -0.111 0.000 0.636 489 A CB -0.772 18.114 19.000 -0.191 0.000 0.810 489 A HN 0.779 nan 8.150 nan 0.000 0.448 490 R N -2.261 118.050 120.500 -0.315 0.000 2.280 490 R HA 0.066 4.406 4.340 0.001 0.000 0.207 490 R C 0.932 176.910 176.300 -0.538 0.000 1.043 490 R CA 1.431 57.253 56.100 -0.462 0.000 1.006 490 R CB -0.406 29.515 30.300 -0.632 0.000 0.885 490 R HN 0.450 nan 8.270 nan 0.000 0.467 491 F N 0.913 120.831 119.950 -0.054 0.000 2.602 491 F HA 0.137 4.664 4.527 0.001 0.000 0.284 491 F C 1.257 177.034 175.800 -0.039 0.000 1.111 491 F CA 0.113 58.086 58.000 -0.044 0.000 1.405 491 F CB 0.262 39.234 39.000 -0.046 0.000 1.121 491 F HN 0.114 nan 8.300 nan 0.000 0.603 492 D N -2.058 118.418 120.400 0.126 0.000 2.469 492 D HA 0.028 4.668 4.640 0.001 0.000 0.215 492 D C -0.061 176.259 176.300 0.033 0.000 1.154 492 D CA 0.070 54.116 54.000 0.076 0.000 0.832 492 D CB -0.724 40.130 40.800 0.090 0.000 1.008 492 D HN 0.041 nan 8.370 nan 0.000 0.506 493 N N 0.621 119.320 118.700 -0.003 0.000 2.714 493 N HA -0.171 4.570 4.740 0.001 0.000 0.250 493 N C 1.062 176.566 175.510 -0.010 0.000 1.117 493 N CA 1.274 54.309 53.050 -0.025 0.000 0.719 493 N CB -1.519 36.953 38.487 -0.024 0.000 1.081 493 N HN 0.674 nan 8.380 nan 0.000 0.557 494 G N -0.211 108.595 108.800 0.011 0.000 2.141 494 G HA2 -0.349 3.612 3.960 0.001 0.000 0.231 494 G HA3 -0.349 3.612 3.960 0.001 0.000 0.231 494 G C 0.580 175.535 174.900 0.091 0.000 0.984 494 G CA 0.889 46.014 45.100 0.042 0.000 0.660 494 G HN 0.594 nan 8.290 nan 0.000 0.525 495 E N -0.821 119.434 120.200 0.092 0.000 2.031 495 E HA -0.180 4.171 4.350 0.001 0.000 0.193 495 E C 1.917 178.619 176.600 0.169 0.000 0.994 495 E CA 1.305 57.773 56.400 0.112 0.000 0.800 495 E CB -0.118 29.636 29.700 0.091 0.000 0.752 495 E HN 0.611 nan 8.360 nan 0.000 0.447 496 Y N 0.646 120.974 120.300 0.046 0.000 2.181 496 Y HA -0.187 4.363 4.550 0.001 0.000 0.288 496 Y C 2.225 178.154 175.900 0.048 0.000 1.146 496 Y CA 1.684 59.809 58.100 0.042 0.000 1.164 496 Y CB -0.510 37.974 38.460 0.039 0.000 0.982 496 Y HN 0.203 nan 8.280 nan 0.000 0.515 497 A N -0.991 121.936 122.820 0.178 0.000 1.902 497 A HA -0.289 4.031 4.320 0.001 0.000 0.217 497 A C 2.019 179.636 177.584 0.054 0.000 1.181 497 A CA 2.045 54.143 52.037 0.103 0.000 0.623 497 A CB -1.267 17.793 19.000 0.100 0.000 0.818 497 A HN 0.687 nan 8.150 nan 0.000 0.443 498 H N -0.512 118.558 119.070 0.001 0.000 2.387 498 H HA -0.142 4.414 4.556 0.001 0.000 0.299 498 H C 1.973 177.274 175.328 -0.044 0.000 1.099 498 H CA 2.054 58.093 56.048 -0.014 0.000 1.315 498 H CB -0.029 29.729 29.762 -0.007 0.000 1.380 498 H HN 0.512 nan 8.280 nan 0.000 0.513 499 E N 0.269 120.436 120.200 -0.054 0.000 2.106 499 E HA -0.085 4.266 4.350 0.001 0.000 0.192 499 E C 2.205 178.680 176.600 -0.208 0.000 0.984 499 E CA 1.275 57.586 56.400 -0.148 0.000 0.806 499 E CB -0.298 29.295 29.700 -0.178 0.000 0.750 499 E HN 0.643 nan 8.360 nan 0.000 0.458 500 I N 0.158 120.602 120.570 -0.210 0.000 2.127 500 I HA -0.262 3.908 4.170 0.001 0.000 0.241 500 I C 1.626 177.670 176.117 -0.122 0.000 1.075 500 I CA 1.123 62.320 61.300 -0.171 0.000 1.334 500 I CB -0.350 37.586 38.000 -0.105 0.000 1.040 500 I HN 0.224 nan 8.210 nan 0.000 0.405 501 L N -1.758 119.392 121.223 -0.122 0.000 2.592 501 L HA 0.287 4.627 4.340 0.001 0.000 0.227 501 L C -0.353 176.423 176.870 -0.157 0.000 1.127 501 L CA 0.552 55.328 54.840 -0.107 0.000 0.884 501 L CB -0.876 41.141 42.059 -0.069 0.000 1.065 501 L HN 0.064 nan 8.230 nan 0.000 0.457 502 N N 0.733 119.290 118.700 -0.240 0.000 2.640 502 N HA 0.626 5.366 4.740 0.001 0.000 0.262 502 N C 0.034 175.429 175.510 -0.192 0.000 1.174 502 N CA 0.437 53.329 53.050 -0.263 0.000 0.791 502 N CB 1.616 39.791 38.487 -0.520 0.000 1.279 502 N HN 0.423 nan 8.380 nan 0.000 0.535 503 G N 1.081 109.817 108.800 -0.107 0.000 2.384 503 G HA2 -0.085 3.875 3.960 0.001 0.000 0.204 503 G HA3 -0.085 3.875 3.960 0.001 0.000 0.204 503 G C -1.777 173.085 174.900 -0.062 0.000 1.237 503 G CA -0.919 44.140 45.100 -0.068 0.000 1.060 503 G HN 0.484 nan 8.290 nan 0.000 0.514 504 D N -0.841 119.529 120.400 -0.050 0.000 2.481 504 D HA 0.609 5.250 4.640 0.001 0.000 0.246 504 D C 1.127 177.379 176.300 -0.080 0.000 1.109 504 D CA -0.542 53.435 54.000 -0.038 0.000 0.845 504 D CB 1.434 42.239 40.800 0.009 0.000 1.160 504 D HN 0.441 nan 8.370 nan 0.000 0.534 505 I N 3.529 124.002 120.570 -0.162 0.000 2.500 505 I HA -0.115 4.056 4.170 0.001 0.000 0.252 505 I C 1.639 177.644 176.117 -0.187 0.000 1.142 505 I CA 1.382 62.514 61.300 -0.280 0.000 1.451 505 I CB -0.113 37.615 38.000 -0.453 0.000 1.093 505 I HN 0.588 nan 8.210 nan 0.000 0.430 506 H N -0.127 118.925 119.070 -0.031 0.000 2.389 506 H HA -0.055 4.502 4.556 0.001 0.000 0.299 506 H C 2.232 177.567 175.328 0.012 0.000 1.081 506 H CA 2.019 58.066 56.048 -0.000 0.000 1.345 506 H CB -0.710 29.058 29.762 0.011 0.000 1.393 506 H HN 0.438 nan 8.280 nan 0.000 0.520 507 T N -1.173 113.452 114.554 0.118 0.000 2.951 507 T HA -0.070 4.281 4.350 0.001 0.000 0.268 507 T C 1.972 176.704 174.700 0.053 0.000 1.073 507 T CA 1.007 63.148 62.100 0.070 0.000 1.134 507 T CB 0.200 69.094 68.868 0.044 0.000 0.884 507 T HN 0.229 nan 8.240 nan 0.000 0.479 508 K N 1.197 121.619 120.400 0.036 0.000 2.097 508 K HA -0.071 4.250 4.320 0.001 0.000 0.205 508 K C 1.974 178.636 176.600 0.103 0.000 1.050 508 K CA 1.226 57.533 56.287 0.034 0.000 0.938 508 K CB -0.127 32.357 32.500 -0.026 0.000 0.718 508 K HN 0.234 nan 8.250 nan 0.000 0.442 509 N N 0.948 119.742 118.700 0.158 0.000 2.300 509 N HA -0.154 4.586 4.740 0.001 0.000 0.179 509 N C 1.718 177.341 175.510 0.189 0.000 1.016 509 N CA 0.762 53.999 53.050 0.313 0.000 0.876 509 N CB -0.058 38.638 38.487 0.348 0.000 0.979 509 N HN 0.391 nan 8.380 nan 0.000 0.432 510 Q N 0.976 120.836 119.800 0.100 0.000 2.061 510 Q HA -0.079 4.261 4.340 0.001 0.000 0.204 510 Q C 1.996 178.002 176.000 0.011 0.000 0.984 510 Q CA 1.237 57.056 55.803 0.027 0.000 0.846 510 Q CB -0.046 28.709 28.738 0.027 0.000 0.902 510 Q HN 0.323 nan 8.270 nan 0.000 0.421 511 I N 0.586 121.176 120.570 0.032 0.000 2.286 511 I HA -0.246 3.924 4.170 0.001 0.000 0.248 511 I C 2.457 178.588 176.117 0.024 0.000 1.115 511 I CA 0.875 62.186 61.300 0.018 0.000 1.392 511 I CB -0.472 37.539 38.000 0.019 0.000 1.065 511 I HN 0.278 nan 8.210 nan 0.000 0.418 512 A N 0.709 123.571 122.820 0.071 0.000 1.933 512 A HA -0.010 4.310 4.320 0.001 0.000 0.218 512 A C 1.983 179.631 177.584 0.106 0.000 1.175 512 A CA 1.747 53.835 52.037 0.084 0.000 0.628 512 A CB -0.475 18.602 19.000 0.129 0.000 0.814 512 A HN 0.422 nan 8.150 nan 0.000 0.444 513 A N -0.015 122.850 122.820 0.075 0.000 2.965 513 A HA 0.449 4.769 4.320 0.001 0.000 0.304 513 A C -0.010 177.462 177.584 -0.187 0.000 1.214 513 A CA -0.326 51.633 52.037 -0.130 0.000 0.977 513 A CB -0.248 18.404 19.000 -0.580 0.000 1.127 513 A HN 0.314 nan 8.150 nan 0.000 0.572 514 E N 0.140 120.285 120.200 -0.091 0.000 1.906 514 E HA -0.216 4.134 4.350 0.001 0.000 0.168 514 E C -0.549 175.989 176.600 -0.105 0.000 1.352 514 E CA 0.966 57.318 56.400 -0.079 0.000 0.615 514 E CB -1.402 28.260 29.700 -0.064 0.000 1.036 514 E HN 0.665 nan 8.360 nan 0.000 0.294 515 L N 1.465 122.625 121.223 -0.105 0.000 2.331 515 L HA 0.282 4.622 4.340 0.001 0.000 0.275 515 L C -0.499 176.338 176.870 -0.056 0.000 1.022 515 L CA -1.951 52.828 54.840 -0.103 0.000 0.812 515 L CB 1.325 43.303 42.059 -0.134 0.000 1.257 515 L HN -0.006 nan 8.230 nan 0.000 0.435 516 P HA -0.044 nan 4.420 nan 0.000 0.214 516 P C 0.344 177.633 177.300 -0.018 0.000 1.162 516 P CA 0.916 64.001 63.100 -0.026 0.000 0.871 516 P CB 0.022 31.709 31.700 -0.022 0.000 0.783 517 T N -4.790 109.754 114.554 -0.017 0.000 2.855 517 T HA 0.644 4.994 4.350 0.001 0.000 0.281 517 T C 1.345 176.039 174.700 -0.009 0.000 1.007 517 T CA -0.294 61.800 62.100 -0.010 0.000 1.009 517 T CB 1.826 70.690 68.868 -0.008 0.000 0.983 517 T HN 0.079 nan 8.240 nan 0.000 0.455 518 R N 1.811 122.309 120.500 -0.003 0.000 2.105 518 R HA -0.108 4.232 4.340 0.001 0.000 0.239 518 R C 1.630 177.921 176.300 -0.015 0.000 1.135 518 R CA 2.245 58.348 56.100 0.005 0.000 0.967 518 R CB -1.845 28.463 30.300 0.013 0.000 0.861 518 R HN 0.860 nan 8.270 nan 0.000 0.442 519 D N 0.140 120.526 120.400 -0.023 0.000 2.182 519 D HA -0.127 4.513 4.640 0.001 0.000 0.201 519 D C 2.131 178.423 176.300 -0.012 0.000 0.986 519 D CA 1.714 55.693 54.000 -0.034 0.000 0.847 519 D CB -0.707 40.081 40.800 -0.020 0.000 0.942 519 D HN 0.744 nan 8.370 nan 0.000 0.467 520 N N 0.621 119.320 118.700 -0.001 0.000 2.244 520 N HA -0.018 4.723 4.740 0.001 0.000 0.183 520 N C 1.957 177.491 175.510 0.041 0.000 1.016 520 N CA 1.645 54.703 53.050 0.014 0.000 0.866 520 N CB -0.558 37.924 38.487 -0.010 0.000 0.980 520 N HN 0.283 nan 8.380 nan 0.000 0.430 521 A N 0.573 123.410 122.820 0.028 0.000 1.858 521 A HA 0.113 4.434 4.320 0.001 0.000 0.216 521 A C 2.664 180.313 177.584 0.110 0.000 1.190 521 A CA 2.951 55.034 52.037 0.078 0.000 0.617 521 A CB -1.134 17.921 19.000 0.092 0.000 0.827 521 A HN 0.830 nan 8.150 nan 0.000 0.443 522 K N -0.909 119.497 120.400 0.009 0.000 2.103 522 K HA -0.149 4.171 4.320 0.001 0.000 0.207 522 K C 2.039 178.699 176.600 0.100 0.000 1.048 522 K CA 2.470 58.721 56.287 -0.060 0.000 0.930 522 K CB -1.890 30.437 32.500 -0.288 0.000 0.716 522 K HN 0.551 nan 8.250 nan 0.000 0.444 523 T N -0.169 114.437 114.554 0.087 0.000 2.821 523 T HA 0.007 4.357 4.350 0.001 0.000 0.267 523 T C 1.672 176.425 174.700 0.089 0.000 1.046 523 T CA 1.137 63.295 62.100 0.098 0.000 1.139 523 T CB -0.327 68.584 68.868 0.072 0.000 0.871 523 T HN 0.505 nan 8.240 nan 0.000 0.454 524 F N 1.434 121.343 119.950 -0.068 0.000 2.128 524 F HA 0.061 4.588 4.527 0.001 0.000 0.295 524 F C 1.925 177.633 175.800 -0.152 0.000 1.100 524 F CA 0.404 58.332 58.000 -0.120 0.000 1.260 524 F CB -0.479 38.399 39.000 -0.203 0.000 1.009 524 F HN 0.017 nan 8.300 nan 0.000 0.476 525 I N -0.027 120.367 120.570 -0.293 0.000 2.113 525 I HA -0.286 3.884 4.170 0.001 0.000 0.238 525 I C 1.877 177.792 176.117 -0.337 0.000 1.070 525 I CA 1.748 62.798 61.300 -0.417 0.000 1.332 525 I CB -1.028 36.788 38.000 -0.308 0.000 1.044 525 I HN 0.159 nan 8.210 nan 0.000 0.402 526 Y N 0.603 120.817 120.300 -0.144 0.000 2.651 526 Y HA 0.010 4.560 4.550 0.001 0.000 0.296 526 Y C 2.325 177.879 175.900 -0.578 0.000 1.150 526 Y CA 0.914 58.840 58.100 -0.290 0.000 1.348 526 Y CB -1.026 37.304 38.460 -0.217 0.000 0.983 526 Y HN 0.281 nan 8.280 nan 0.000 0.555 527 G N -2.427 106.204 108.800 -0.281 0.000 2.748 527 G HA2 -0.129 3.832 3.960 0.001 0.000 0.204 527 G HA3 -0.129 3.832 3.960 0.001 0.000 0.204 527 G C 1.276 176.064 174.900 -0.187 0.000 1.095 527 G CA -0.046 44.895 45.100 -0.264 0.000 0.775 527 G HN 0.373 nan 8.290 nan 0.000 0.531 528 F N 1.696 121.363 119.950 -0.470 0.000 2.293 528 F HA 0.191 4.718 4.527 0.001 0.000 0.300 528 F C 2.056 177.751 175.800 -0.174 0.000 1.086 528 F CA 0.891 58.617 58.000 -0.456 0.000 1.375 528 F CB 0.086 38.569 39.000 -0.860 0.000 1.045 528 F HN 0.000 nan 8.300 nan 0.000 0.516 529 L N -1.111 120.045 121.223 -0.111 0.000 2.395 529 L HA -0.139 4.201 4.340 0.001 0.000 0.218 529 L C 1.321 178.298 176.870 0.179 0.000 1.130 529 L CA 0.689 55.528 54.840 -0.003 0.000 0.826 529 L CB -0.768 41.372 42.059 0.135 0.000 0.941 529 L HN 0.185 nan 8.230 nan 0.000 0.451 530 Y N 0.161 120.402 120.300 -0.099 0.000 2.495 530 Y HA 0.153 4.703 4.550 0.001 0.000 0.293 530 Y C 1.680 177.536 175.900 -0.073 0.000 1.186 530 Y CA -0.173 57.888 58.100 -0.064 0.000 1.266 530 Y CB 0.200 38.651 38.460 -0.015 0.000 1.101 530 Y HN 0.364 nan 8.280 nan 0.000 0.517 531 G N 0.842 109.637 108.800 -0.009 0.000 2.168 531 G HA2 -0.323 3.638 3.960 0.001 0.000 0.257 531 G HA3 -0.323 3.638 3.960 0.001 0.000 0.257 531 G C 0.408 175.329 174.900 0.036 0.000 0.997 531 G CA 0.194 45.287 45.100 -0.013 0.000 0.708 531 G HN 0.554 nan 8.290 nan 0.000 0.520 538 G N 0.619 109.466 108.800 0.078 0.000 3.042 538 G HA2 0.262 4.222 3.960 0.001 0.000 0.212 538 G HA3 0.262 4.222 3.960 0.001 0.000 0.212 538 G C 1.338 176.270 174.900 0.053 0.000 1.166 538 G CA 0.915 46.055 45.100 0.067 0.000 0.767 538 G HN 0.655 nan 8.290 nan 0.000 0.546 539 Q N -0.273 119.560 119.800 0.054 0.000 2.561 539 Q HA 0.197 4.537 4.340 0.001 0.000 0.217 539 Q C 2.460 178.485 176.000 0.042 0.000 0.980 539 Q CA 1.520 57.350 55.803 0.044 0.000 0.927 539 Q CB -1.150 27.615 28.738 0.044 0.000 0.980 539 Q HN 0.879 nan 8.270 nan 0.000 0.525 540 I N -0.114 120.488 120.570 0.052 0.000 2.233 540 I HA -0.015 4.155 4.170 0.001 0.000 0.243 540 I C 2.674 178.807 176.117 0.026 0.000 1.093 540 I CA 2.151 63.480 61.300 0.049 0.000 1.380 540 I CB -1.040 37.005 38.000 0.076 0.000 1.067 540 I HN 0.758 nan 8.210 nan 0.000 0.413 541 V N -2.060 117.865 119.914 0.018 0.000 2.685 541 V HA 0.617 4.737 4.120 0.001 0.000 0.244 541 V C 1.892 177.991 176.094 0.009 0.000 1.054 541 V CA 1.393 63.696 62.300 0.004 0.000 1.076 541 V CB -0.238 31.580 31.823 -0.008 0.000 0.725 541 V HN 1.818 nan 8.190 nan 0.000 0.467 542 G N -0.744 108.066 108.800 0.017 0.000 2.559 542 G HA2 0.175 4.135 3.960 0.001 0.000 0.202 542 G HA3 0.175 4.135 3.960 0.001 0.000 0.202 542 G C 0.417 175.328 174.900 0.020 0.000 0.992 542 G CA 0.252 45.363 45.100 0.018 0.000 0.764 542 G HN 1.120 nan 8.290 nan 0.000 0.525 543 A N -0.132 122.700 122.820 0.020 0.000 3.337 543 A HA 1.022 5.342 4.320 0.001 0.000 0.173 543 A C 1.009 178.611 177.584 0.029 0.000 1.986 543 A CA 0.281 52.331 52.037 0.022 0.000 0.954 543 A CB 0.415 19.425 19.000 0.018 0.000 1.899 543 A HN 2.177 nan 8.150 nan 0.000 0.732 544 G N -4.729 104.090 108.800 0.032 0.000 2.322 544 G HA2 0.558 4.519 3.960 0.001 0.000 0.289 544 G HA3 0.558 4.519 3.960 0.001 0.000 0.289 544 G C 0.221 175.142 174.900 0.036 0.000 1.687 544 G CA 0.626 45.749 45.100 0.038 0.000 0.944 544 G HN 2.041 nan 8.290 nan 0.000 0.718 545 K N -2.572 117.853 120.400 0.041 0.000 3.013 545 K HA 0.049 4.369 4.320 0.001 0.000 0.275 545 K C 1.491 178.111 176.600 0.033 0.000 1.086 545 K CA 4.028 60.337 56.287 0.037 0.000 0.814 545 K CB -2.363 30.156 32.500 0.031 0.000 1.212 545 K HN 2.548 nan 8.250 nan 0.000 0.468 546 E N -1.469 118.751 120.200 0.033 0.000 3.590 546 E HA 0.250 4.600 4.350 0.001 0.000 0.223 546 E C 1.679 178.296 176.600 0.028 0.000 1.195 546 E CA 0.643 57.059 56.400 0.027 0.000 1.670 546 E CB -0.261 29.452 29.700 0.021 0.000 1.578 546 E HN 0.302 nan 8.360 nan 0.000 0.763 547 R N 1.268 121.784 120.500 0.026 0.000 2.153 547 R HA 0.059 4.400 4.340 0.001 0.000 0.218 547 R C 2.503 178.822 176.300 0.032 0.000 1.072 547 R CA 1.676 57.788 56.100 0.020 0.000 0.990 547 R CB -0.972 29.335 30.300 0.012 0.000 0.889 547 R HN 0.448 nan 8.270 nan 0.000 0.452 548 G N 0.866 109.696 108.800 0.051 0.000 2.476 548 G HA2 -0.373 3.587 3.960 0.001 0.000 0.218 548 G HA3 -0.373 3.587 3.960 0.001 0.000 0.218 548 G C 1.827 176.786 174.900 0.099 0.000 1.164 548 G CA 2.010 47.160 45.100 0.084 0.000 0.768 548 G HN 0.521 nan 8.290 nan 0.000 0.560 549 K N 0.127 120.574 120.400 0.078 0.000 2.103 549 K HA 0.034 4.354 4.320 0.001 0.000 0.207 549 K C 2.447 179.091 176.600 0.074 0.000 1.048 549 K CA 2.311 58.646 56.287 0.080 0.000 0.930 549 K CB -1.371 31.162 32.500 0.055 0.000 0.716 549 K HN 0.634 nan 8.250 nan 0.000 0.444 550 E N 0.835 121.064 120.200 0.048 0.000 2.208 550 E HA 0.096 4.447 4.350 0.001 0.000 0.193 550 E C 2.098 178.712 176.600 0.023 0.000 0.988 550 E CA 1.065 57.483 56.400 0.030 0.000 0.828 550 E CB -0.512 29.195 29.700 0.012 0.000 0.763 550 E HN 0.578 nan 8.360 nan 0.000 0.478 551 L N -0.438 120.798 121.223 0.021 0.000 2.109 551 L HA -0.049 4.291 4.340 0.001 0.000 0.207 551 L C 3.295 180.191 176.870 0.043 0.000 1.086 551 L CA 1.703 56.516 54.840 -0.044 0.000 0.760 551 L CB -0.462 41.541 42.059 -0.093 0.000 0.910 551 L HN 0.481 nan 8.230 nan 0.000 0.437 552 K N 0.859 121.371 120.400 0.188 0.000 1.984 552 K HA -0.157 4.163 4.320 0.001 0.000 0.209 552 K C 2.461 179.190 176.600 0.215 0.000 1.046 552 K CA 1.993 58.464 56.287 0.305 0.000 0.934 552 K CB -1.348 31.360 32.500 0.347 0.000 0.717 552 K HN 0.317 nan 8.250 nan 0.000 0.438 553 K N 0.618 121.101 120.400 0.138 0.000 2.074 553 K HA -0.154 4.166 4.320 0.001 0.000 0.209 553 K C 2.712 179.344 176.600 0.054 0.000 1.048 553 K CA 2.797 59.134 56.287 0.085 0.000 0.926 553 K CB -1.592 30.941 32.500 0.055 0.000 0.713 553 K HN 0.781 nan 8.250 nan 0.000 0.444 554 K N -0.032 120.396 120.400 0.047 0.000 2.097 554 K HA 0.073 4.393 4.320 0.001 0.000 0.205 554 K C 2.078 178.698 176.600 0.033 0.000 1.050 554 K CA 1.561 57.858 56.287 0.017 0.000 0.938 554 K CB -0.837 31.658 32.500 -0.009 0.000 0.718 554 K HN 0.532 nan 8.250 nan 0.000 0.442 555 F N 1.223 121.112 119.950 -0.103 0.000 2.060 555 F HA 0.034 4.561 4.527 0.001 0.000 0.295 555 F C 2.057 177.802 175.800 -0.091 0.000 1.120 555 F CA 1.363 59.292 58.000 -0.117 0.000 1.205 555 F CB -0.298 38.631 39.000 -0.119 0.000 0.986 555 F HN 0.059 nan 8.300 nan 0.000 0.470 556 L N 0.367 121.530 121.223 -0.100 0.000 2.187 556 L HA -0.189 4.152 4.340 0.001 0.000 0.213 556 L C 2.772 179.541 176.870 -0.167 0.000 1.100 556 L CA 1.609 56.346 54.840 -0.171 0.000 0.765 556 L CB -1.529 40.547 42.059 0.029 0.000 0.904 556 L HN 0.415 nan 8.230 nan 0.000 0.437 557 E N 0.174 120.311 120.200 -0.105 0.000 2.107 557 E HA -0.170 4.181 4.350 0.001 0.000 0.191 557 E C 1.685 178.215 176.600 -0.116 0.000 0.982 557 E CA 1.363 57.712 56.400 -0.086 0.000 0.809 557 E CB -0.501 29.171 29.700 -0.046 0.000 0.756 557 E HN 0.522 nan 8.360 nan 0.000 0.459 558 N N -0.079 118.528 118.700 -0.155 0.000 2.322 558 N HA 0.023 4.764 4.740 0.001 0.000 0.194 558 N C -0.291 175.088 175.510 -0.219 0.000 1.126 558 N CA 0.607 53.568 53.050 -0.148 0.000 0.845 558 N CB 1.257 39.683 38.487 -0.103 0.000 0.976 558 N HN 0.296 nan 8.380 nan 0.000 0.475 559 T N 1.237 115.592 114.554 -0.332 0.000 3.658 559 T HA 0.158 4.508 4.350 0.001 0.000 0.245 559 T C -1.843 172.686 174.700 -0.283 0.000 1.292 559 T CA -0.900 60.976 62.100 -0.373 0.000 1.598 559 T CB 2.002 70.415 68.868 -0.759 0.000 0.861 559 T HN 0.016 nan 8.240 nan 0.000 0.663 560 P HA -0.198 nan 4.420 nan 0.000 0.217 560 P C 1.624 178.817 177.300 -0.179 0.000 1.148 560 P CA 1.099 64.108 63.100 -0.152 0.000 0.834 560 P CB 0.198 31.838 31.700 -0.100 0.000 0.783 561 A N 0.010 122.740 122.820 -0.151 0.000 1.933 561 A HA -0.152 4.168 4.320 0.001 0.000 0.218 561 A C 2.378 179.824 177.584 -0.230 0.000 1.175 561 A CA 1.424 53.377 52.037 -0.140 0.000 0.628 561 A CB -1.463 17.522 19.000 -0.026 0.000 0.814 561 A HN 0.170 nan 8.150 nan 0.000 0.444 562 I N -0.573 119.867 120.570 -0.218 0.000 2.439 562 I HA -0.206 3.964 4.170 0.001 0.000 0.251 562 I C 2.882 178.917 176.117 -0.136 0.000 1.139 562 I CA 0.841 62.049 61.300 -0.153 0.000 1.438 562 I CB -0.302 37.636 38.000 -0.104 0.000 1.085 562 I HN 0.361 nan 8.210 nan 0.000 0.427 563 A N 0.901 123.621 122.820 -0.166 0.000 1.898 563 A HA -0.090 4.230 4.320 0.001 0.000 0.216 563 A C 2.568 180.000 177.584 -0.253 0.000 1.181 563 A CA 1.626 53.579 52.037 -0.140 0.000 0.620 563 A CB -0.682 18.246 19.000 -0.120 0.000 0.819 563 A HN 0.396 nan 8.150 nan 0.000 0.442 564 A N -0.291 122.268 122.820 -0.433 0.000 1.877 564 A HA -0.050 4.270 4.320 0.001 0.000 0.216 564 A C 2.131 179.177 177.584 -0.898 0.000 1.186 564 A CA 1.775 53.355 52.037 -0.763 0.000 0.620 564 A CB -0.678 17.589 19.000 -1.221 0.000 0.822 564 A HN 0.732 nan 8.150 nan 0.000 0.443 565 L N -0.069 120.687 121.223 -0.779 0.000 2.012 565 L HA -0.156 4.184 4.340 0.001 0.000 0.210 565 L C 2.411 179.195 176.870 -0.144 0.000 1.073 565 L CA 2.041 56.715 54.840 -0.276 0.000 0.748 565 L CB -0.694 41.347 42.059 -0.031 0.000 0.891 565 L HN 0.354 nan 8.230 nan 0.000 0.431 566 R N -0.363 120.053 120.500 -0.140 0.000 2.083 566 R HA -0.179 4.161 4.340 0.001 0.000 0.237 566 R C 2.164 178.408 176.300 -0.093 0.000 1.137 566 R CA 1.957 58.003 56.100 -0.089 0.000 0.951 566 R CB -0.433 29.835 30.300 -0.054 0.000 0.851 566 R HN 0.559 nan 8.270 nan 0.000 0.434 567 E N 0.308 120.434 120.200 -0.123 0.000 2.058 567 E HA -0.204 4.146 4.350 0.001 0.000 0.194 567 E C 2.149 178.708 176.600 -0.068 0.000 0.997 567 E CA 1.816 58.157 56.400 -0.098 0.000 0.801 567 E CB -0.128 29.502 29.700 -0.117 0.000 0.746 567 E HN 0.366 nan 8.360 nan 0.000 0.450 568 S N 1.135 116.801 115.700 -0.057 0.000 2.370 568 S HA -0.197 4.274 4.470 0.001 0.000 0.226 568 S C 2.116 176.716 174.600 0.001 0.000 1.033 568 S CA 1.006 59.224 58.200 0.029 0.000 1.011 568 S CB -0.639 62.676 63.200 0.191 0.000 0.852 568 S HN 0.184 nan 8.310 nan 0.000 0.457 569 I N 1.524 122.080 120.570 -0.023 0.000 2.163 569 I HA -0.209 3.961 4.170 0.001 0.000 0.243 569 I C 3.246 179.334 176.117 -0.048 0.000 1.085 569 I CA 1.615 62.888 61.300 -0.045 0.000 1.347 569 I CB -0.498 37.461 38.000 -0.068 0.000 1.044 569 I HN 0.359 nan 8.210 nan 0.000 0.408 570 Q N 0.583 120.349 119.800 -0.057 0.000 2.002 570 Q HA -0.287 4.053 4.340 0.001 0.000 0.204 570 Q C 2.219 178.179 176.000 -0.067 0.000 0.988 570 Q CA 1.907 57.669 55.803 -0.070 0.000 0.843 570 Q CB -0.423 28.268 28.738 -0.078 0.000 0.908 570 Q HN 0.595 nan 8.270 nan 0.000 0.420 571 Q N -0.696 119.071 119.800 -0.055 0.000 2.308 571 Q HA -0.129 4.211 4.340 0.001 0.000 0.209 571 Q C 1.815 177.787 176.000 -0.046 0.000 0.985 571 Q CA 1.498 57.273 55.803 -0.048 0.000 0.881 571 Q CB -0.007 28.712 28.738 -0.032 0.000 0.917 571 Q HN 0.335 nan 8.270 nan 0.000 0.443 572 T N 0.055 114.581 114.554 -0.048 0.000 2.937 572 T HA 0.047 4.397 4.350 0.001 0.000 0.260 572 T C 1.646 176.304 174.700 -0.070 0.000 1.051 572 T CA 0.636 62.697 62.100 -0.064 0.000 1.141 572 T CB 0.163 68.987 68.868 -0.073 0.000 0.879 572 T HN 0.162 nan 8.240 nan 0.000 0.459 573 L N 0.072 121.275 121.223 -0.033 0.000 2.269 573 L HA 0.268 4.608 4.340 0.001 0.000 0.200 573 L C 0.659 177.563 176.870 0.056 0.000 1.069 573 L CA 0.189 55.066 54.840 0.062 0.000 0.804 573 L CB -0.017 42.148 42.059 0.178 0.000 0.987 573 L HN 0.018 nan 8.230 nan 0.000 0.468 574 V N -0.172 119.678 119.914 -0.106 0.000 2.973 574 V HA 0.134 4.254 4.120 0.001 0.000 0.314 574 V C 0.649 176.656 176.094 -0.147 0.000 1.066 574 V CA -0.216 61.939 62.300 -0.241 0.000 1.021 574 V CB 1.902 33.505 31.823 -0.367 0.000 1.076 574 V HN 0.288 nan 8.190 nan 0.000 0.462 575 E N 0.351 120.457 120.200 -0.156 0.000 2.633 575 E HA 0.236 4.586 4.350 0.001 0.000 0.222 575 E C 0.085 176.623 176.600 -0.103 0.000 0.899 575 E CA 0.702 57.044 56.400 -0.096 0.000 1.292 575 E CB 0.987 30.654 29.700 -0.055 0.000 1.257 575 E HN 0.935 nan 8.360 nan 0.000 0.626 587 K N 3.373 123.638 120.400 -0.226 0.000 2.281 587 K HA 0.463 4.784 4.320 0.001 0.000 0.272 587 K C -1.186 175.324 176.600 -0.150 0.000 1.048 587 K CA -0.330 55.910 56.287 -0.079 0.000 0.898 587 K CB 1.254 33.730 32.500 -0.040 0.000 1.128 587 K HN 0.554 nan 8.250 nan 0.000 0.460 588 W N 2.080 123.373 121.300 -0.010 0.000 2.359 588 W HA 0.279 4.939 4.660 0.001 0.000 0.344 588 W C 1.433 177.931 176.519 -0.035 0.000 1.170 588 W CA -0.548 56.780 57.345 -0.028 0.000 1.296 588 W CB 0.686 30.132 29.460 -0.024 0.000 1.197 588 W HN 0.519 nan 8.180 nan 0.000 0.618 589 K N 0.383 120.900 120.400 0.195 0.000 2.365 589 K HA 0.211 4.531 4.320 0.001 0.000 0.195 589 K C 0.140 176.760 176.600 0.034 0.000 1.079 589 K CA 0.430 56.761 56.287 0.073 0.000 0.979 589 K CB 0.469 32.975 32.500 0.010 0.000 0.929 589 K HN 0.447 nan 8.250 nan 0.000 0.523 590 R N 0.251 120.778 120.500 0.045 0.000 2.678 590 R HA 0.114 4.454 4.340 0.001 0.000 0.267 590 R C -1.168 175.054 176.300 -0.130 0.000 1.173 590 R CA -0.335 55.663 56.100 -0.170 0.000 1.061 590 R CB 1.174 31.194 30.300 -0.467 0.000 1.262 590 R HN -0.004 nan 8.270 nan 0.000 0.427 591 R N 4.566 124.943 120.500 -0.205 0.000 2.568 591 R HA 0.182 4.522 4.340 0.001 0.000 0.288 591 R C -0.810 175.379 176.300 -0.184 0.000 1.077 591 R CA -0.031 55.810 56.100 -0.432 0.000 1.102 591 R CB 0.407 30.280 30.300 -0.712 0.000 1.278 591 R HN 0.481 nan 8.270 nan 0.000 0.560 592 W N -0.239 120.983 121.300 -0.130 0.000 3.118 592 W HA 0.437 5.097 4.660 0.001 0.000 0.328 592 W C -1.692 174.798 176.519 -0.050 0.000 1.239 592 W CA -1.138 56.149 57.345 -0.095 0.000 1.176 592 W CB 0.516 29.939 29.460 -0.061 0.000 1.433 592 W HN -0.351 nan 8.180 nan 0.000 0.562 593 I N 2.325 123.086 120.570 0.318 0.000 2.603 593 I HA 0.298 4.468 4.170 0.001 0.000 0.300 593 I C 0.122 176.487 176.117 0.414 0.000 1.017 593 I CA -1.365 60.054 61.300 0.199 0.000 1.098 593 I CB 2.001 40.036 38.000 0.058 0.000 1.279 593 I HN 0.405 nan 8.210 nan 0.000 0.437 594 K N 3.330 123.937 120.400 0.344 0.000 2.316 594 K HA 0.402 4.722 4.320 0.001 0.000 0.289 594 K C 0.215 176.920 176.600 0.174 0.000 1.070 594 K CA -0.198 56.292 56.287 0.338 0.000 0.928 594 K CB 0.764 33.453 32.500 0.315 0.000 1.039 594 K HN 0.868 nan 8.250 nan 0.000 0.480 595 G N 3.023 111.902 108.800 0.131 0.000 2.651 595 G HA2 0.080 4.041 3.960 0.001 0.000 0.260 595 G HA3 0.080 4.041 3.960 0.001 0.000 0.260 595 G C 1.035 175.913 174.900 -0.037 0.000 1.216 595 G CA -0.643 44.494 45.100 0.063 0.000 0.913 595 G HN 0.730 nan 8.290 nan 0.000 0.535 596 L N -0.159 120.948 121.223 -0.192 0.000 2.127 596 L HA -0.083 4.258 4.340 0.001 0.000 0.211 596 L C 1.873 178.321 176.870 -0.702 0.000 1.089 596 L CA 1.595 56.071 54.840 -0.607 0.000 0.757 596 L CB -0.258 41.116 42.059 -1.141 0.000 0.899 596 L HN 0.678 nan 8.230 nan 0.000 0.434 597 D N -1.372 118.850 120.400 -0.297 0.000 2.358 597 D HA 0.151 4.792 4.640 0.001 0.000 0.224 597 D C 1.343 177.687 176.300 0.073 0.000 1.123 597 D CA 0.521 54.567 54.000 0.077 0.000 0.833 597 D CB 0.369 41.369 40.800 0.333 0.000 0.946 597 D HN 0.218 nan 8.370 nan 0.000 0.505 598 G N 1.097 109.902 108.800 0.009 0.000 2.225 598 G HA2 -0.339 3.621 3.960 0.001 0.000 0.254 598 G HA3 -0.339 3.621 3.960 0.001 0.000 0.254 598 G C 0.507 175.440 174.900 0.054 0.000 0.988 598 G CA 0.115 45.222 45.100 0.012 0.000 0.625 598 G HN 0.695 nan 8.290 nan 0.000 0.527 599 R N 0.822 121.369 120.500 0.079 0.000 2.774 599 R HA 0.469 4.810 4.340 0.001 0.000 0.269 599 R C -0.197 176.106 176.300 0.005 0.000 1.068 599 R CA -0.030 56.130 56.100 0.100 0.000 1.180 599 R CB 0.563 30.999 30.300 0.227 0.000 1.077 599 R HN 0.250 nan 8.270 nan 0.000 0.513 600 K N 0.978 121.249 120.400 -0.215 0.000 2.205 600 K HA 0.271 4.592 4.320 0.001 0.000 0.279 600 K C -0.873 175.706 176.600 -0.035 0.000 1.027 600 K CA -0.592 55.451 56.287 -0.406 0.000 0.932 600 K CB 1.751 33.629 32.500 -1.036 0.000 1.032 600 K HN 0.295 nan 8.250 nan 0.000 0.466 601 V N 3.498 123.493 119.914 0.135 0.000 2.349 601 V HA 0.046 4.166 4.120 0.001 0.000 0.284 601 V C -0.403 175.803 176.094 0.187 0.000 1.014 601 V CA -0.896 61.489 62.300 0.142 0.000 0.826 601 V CB 0.642 32.538 31.823 0.122 0.000 1.009 601 V HN 0.742 nan 8.190 nan 0.000 0.431 602 H N 4.195 123.301 119.070 0.061 0.000 3.034 602 H HA 0.235 4.792 4.556 0.001 0.000 0.324 602 H C -0.464 174.861 175.328 -0.006 0.000 1.015 602 H CA 0.487 56.554 56.048 0.032 0.000 1.429 602 H CB 0.897 30.652 29.762 -0.012 0.000 1.429 602 H HN 0.387 nan 8.280 nan 0.000 0.585 603 V N 8.153 127.713 119.914 -0.590 0.000 2.333 603 V HA 0.173 4.293 4.120 0.001 0.000 0.274 603 V C 1.255 176.935 176.094 -0.691 0.000 1.028 603 V CA -0.361 61.672 62.300 -0.445 0.000 0.851 603 V CB 1.139 32.834 31.823 -0.213 0.000 1.000 603 V HN 0.900 nan 8.190 nan 0.000 0.456 604 R N 2.020 122.308 120.500 -0.354 0.000 2.090 604 R HA 0.085 4.426 4.340 0.001 0.000 0.228 604 R C 0.762 177.091 176.300 0.049 0.000 1.110 604 R CA 0.781 56.790 56.100 -0.152 0.000 0.973 604 R CB 0.168 30.471 30.300 0.006 0.000 0.869 604 R HN 0.583 nan 8.270 nan 0.000 0.440 605 S N -1.778 113.983 115.700 0.102 0.000 2.541 605 S HA 0.295 4.766 4.470 0.001 0.000 0.271 605 S C -2.326 172.401 174.600 0.211 0.000 1.133 605 S CA -1.639 56.720 58.200 0.265 0.000 0.876 605 S CB 1.834 65.201 63.200 0.278 0.000 1.105 605 S HN -0.222 nan 8.310 nan 0.000 0.470 606 P HA -0.145 nan 4.420 nan 0.000 0.216 606 P C 1.286 178.593 177.300 0.011 0.000 1.150 606 P CA 1.150 64.268 63.100 0.029 0.000 0.837 606 P CB -0.136 31.470 31.700 -0.157 0.000 0.786 607 H N -0.982 118.071 119.070 -0.028 0.000 2.462 607 H HA 0.186 4.742 4.556 0.001 0.000 0.292 607 H C 1.276 176.572 175.328 -0.054 0.000 1.049 607 H CA 1.441 57.458 56.048 -0.051 0.000 1.334 607 H CB -0.660 29.075 29.762 -0.046 0.000 1.404 607 H HN 0.026 nan 8.280 nan 0.000 0.544 608 A N 0.883 123.245 122.820 -0.764 0.000 2.345 608 A HA 0.547 4.868 4.320 0.001 0.000 0.225 608 A C 2.440 179.876 177.584 -0.247 0.000 1.243 608 A CA 0.489 52.198 52.037 -0.546 0.000 0.875 608 A CB -0.422 18.216 19.000 -0.603 0.000 0.929 608 A HN 0.554 nan 8.150 nan 0.000 0.502 609 A N 0.194 122.917 122.820 -0.163 0.000 1.883 609 A HA -0.132 4.189 4.320 0.001 0.000 0.217 609 A C 2.015 179.537 177.584 -0.103 0.000 1.186 609 A CA 1.864 53.847 52.037 -0.090 0.000 0.624 609 A CB -0.523 18.452 19.000 -0.042 0.000 0.822 609 A HN 0.760 nan 8.150 nan 0.000 0.444 610 L N 0.853 122.009 121.223 -0.112 0.000 2.056 610 L HA -0.155 4.185 4.340 0.001 0.000 0.207 610 L C 2.083 178.911 176.870 -0.070 0.000 1.078 610 L CA 2.476 57.255 54.840 -0.100 0.000 0.749 610 L CB -0.896 41.107 42.059 -0.094 0.000 0.901 610 L HN 0.583 nan 8.230 nan 0.000 0.433 611 N N -1.210 117.446 118.700 -0.073 0.000 2.120 611 N HA -0.197 4.543 4.740 0.001 0.000 0.188 611 N C 1.518 177.005 175.510 -0.038 0.000 1.024 611 N CA 1.973 55.003 53.050 -0.032 0.000 0.852 611 N CB 0.005 38.447 38.487 -0.076 0.000 1.003 611 N HN 0.446 nan 8.380 nan 0.000 0.424 612 T N 1.871 116.383 114.554 -0.070 0.000 2.708 612 T HA -0.139 4.211 4.350 0.001 0.000 0.266 612 T C 1.960 176.646 174.700 -0.023 0.000 1.037 612 T CA 1.023 63.094 62.100 -0.047 0.000 1.146 612 T CB -0.350 68.483 68.868 -0.060 0.000 0.865 612 T HN 0.173 nan 8.240 nan 0.000 0.435 613 L N 0.851 122.034 121.223 -0.067 0.000 2.012 613 L HA -0.007 4.333 4.340 0.001 0.000 0.210 613 L C 2.177 179.035 176.870 -0.019 0.000 1.073 613 L CA 1.648 56.413 54.840 -0.125 0.000 0.748 613 L CB -0.588 41.280 42.059 -0.317 0.000 0.891 613 L HN 0.251 nan 8.230 nan 0.000 0.431 614 L N -1.018 120.231 121.223 0.043 0.000 2.027 614 L HA -0.207 4.134 4.340 0.001 0.000 0.206 614 L C 2.665 179.656 176.870 0.202 0.000 1.074 614 L CA 1.729 56.687 54.840 0.197 0.000 0.745 614 L CB -0.740 41.438 42.059 0.198 0.000 0.898 614 L HN 0.462 nan 8.230 nan 0.000 0.433 615 Q N -0.363 119.514 119.800 0.128 0.000 2.124 615 Q HA -0.226 4.114 4.340 0.001 0.000 0.202 615 Q C 2.378 178.457 176.000 0.131 0.000 0.977 615 Q CA 1.954 57.824 55.803 0.111 0.000 0.850 615 Q CB 0.015 28.773 28.738 0.033 0.000 0.901 615 Q HN 0.345 nan 8.270 nan 0.000 0.429 616 S N -0.606 115.166 115.700 0.120 0.000 2.368 616 S HA -0.096 4.375 4.470 0.001 0.000 0.224 616 S C 1.903 176.606 174.600 0.171 0.000 1.029 616 S CA 1.032 59.311 58.200 0.133 0.000 0.988 616 S CB -0.310 62.952 63.200 0.103 0.000 0.838 616 S HN 0.549 nan 8.310 nan 0.000 0.462 617 A N 0.946 123.901 122.820 0.224 0.000 1.877 617 A HA 0.113 4.433 4.320 0.001 0.000 0.216 617 A C 2.362 180.078 177.584 0.220 0.000 1.186 617 A CA 1.842 54.043 52.037 0.274 0.000 0.620 617 A CB -1.697 17.629 19.000 0.543 0.000 0.822 617 A HN 0.625 nan 8.150 nan 0.000 0.443 618 G N -0.604 108.337 108.800 0.236 0.000 2.418 618 G HA2 0.009 3.969 3.960 0.001 0.000 0.217 618 G HA3 0.009 3.969 3.960 0.001 0.000 0.217 618 G C 1.756 176.808 174.900 0.254 0.000 1.158 618 G CA 1.527 46.755 45.100 0.215 0.000 0.771 618 G HN 0.803 nan 8.290 nan 0.000 0.545 619 A N 0.722 123.697 122.820 0.258 0.000 1.877 619 A HA 0.059 4.379 4.320 0.001 0.000 0.216 619 A C 2.430 180.241 177.584 0.378 0.000 1.186 619 A CA 1.379 53.612 52.037 0.325 0.000 0.620 619 A CB -0.445 18.709 19.000 0.258 0.000 0.822 619 A HN 0.345 nan 8.150 nan 0.000 0.443 620 L N -0.865 120.539 121.223 0.301 0.000 2.141 620 L HA -0.118 4.223 4.340 0.001 0.000 0.209 620 L C 2.479 179.641 176.870 0.488 0.000 1.094 620 L CA 0.931 55.980 54.840 0.347 0.000 0.763 620 L CB -0.577 41.592 42.059 0.182 0.000 0.908 620 L HN 0.370 nan 8.230 nan 0.000 0.437 621 I N -0.495 120.313 120.570 0.396 0.000 2.179 621 I HA -0.320 3.850 4.170 0.001 0.000 0.242 621 I C 2.588 178.922 176.117 0.361 0.000 1.088 621 I CA 1.206 62.727 61.300 0.367 0.000 1.357 621 I CB -0.211 37.845 38.000 0.093 0.000 1.051 621 I HN 0.356 nan 8.210 nan 0.000 0.409 622 C N 0.296 119.843 119.300 0.412 0.000 2.435 622 C HA -0.137 4.323 4.460 0.001 0.000 0.279 622 C C 2.758 178.022 174.990 0.457 0.000 1.321 622 C CA 0.682 60.059 59.018 0.597 0.000 1.752 622 C CB -0.910 27.281 27.740 0.751 0.000 1.959 622 C HN 0.423 nan 8.230 nan 0.000 0.500 623 K N 0.592 121.220 120.400 0.379 0.000 2.025 623 K HA -0.070 4.250 4.320 0.001 0.000 0.207 623 K C 2.039 178.665 176.600 0.044 0.000 1.049 623 K CA 1.103 57.452 56.287 0.104 0.000 0.933 623 K CB -0.285 32.382 32.500 0.277 0.000 0.714 623 K HN 0.404 nan 8.250 nan 0.000 0.438 624 L N 0.186 121.519 121.223 0.182 0.000 2.141 624 L HA -0.171 4.169 4.340 0.001 0.000 0.209 624 L C 2.177 179.096 176.870 0.082 0.000 1.094 624 L CA 1.132 56.023 54.840 0.085 0.000 0.763 624 L CB -0.339 41.723 42.059 0.005 0.000 0.908 624 L HN 0.480 nan 8.230 nan 0.000 0.437 625 W N 1.745 123.026 121.300 -0.031 0.000 2.355 625 W HA -0.252 4.408 4.660 0.001 0.000 0.309 625 W C 2.345 178.801 176.519 -0.105 0.000 1.206 625 W CA 2.329 59.648 57.345 -0.045 0.000 1.284 625 W CB -0.501 28.961 29.460 0.003 0.000 1.145 625 W HN 0.270 nan 8.180 nan 0.000 0.502 626 I N -1.521 118.794 120.570 -0.425 0.000 2.493 626 I HA -0.173 3.998 4.170 0.001 0.000 0.254 626 I C 2.167 178.084 176.117 -0.332 0.000 1.160 626 I CA 1.611 62.543 61.300 -0.613 0.000 1.445 626 I CB -0.816 36.777 38.000 -0.677 0.000 1.086 626 I HN 0.038 nan 8.210 nan 0.000 0.433 627 I N 1.338 121.745 120.570 -0.273 0.000 2.202 627 I HA -0.220 3.950 4.170 0.001 0.000 0.242 627 I C 2.625 178.576 176.117 -0.276 0.000 1.091 627 I CA 1.360 62.518 61.300 -0.237 0.000 1.368 627 I CB -0.296 37.597 38.000 -0.179 0.000 1.058 627 I HN 0.185 nan 8.210 nan 0.000 0.410 628 K N 0.891 121.115 120.400 -0.292 0.000 2.057 628 K HA -0.123 4.197 4.320 0.001 0.000 0.206 628 K C 1.994 178.384 176.600 -0.351 0.000 1.050 628 K CA 1.789 57.836 56.287 -0.400 0.000 0.935 628 K CB -0.544 31.693 32.500 -0.440 0.000 0.715 628 K HN 0.150 nan 8.250 nan 0.000 0.439 629 T N 0.921 115.282 114.554 -0.322 0.000 2.684 629 T HA -0.158 4.192 4.350 0.001 0.000 0.267 629 T C 1.576 176.092 174.700 -0.307 0.000 1.036 629 T CA 1.588 63.495 62.100 -0.322 0.000 1.148 629 T CB -0.243 68.350 68.868 -0.460 0.000 0.863 629 T HN 0.383 nan 8.240 nan 0.000 0.436 630 E N 0.754 120.793 120.200 -0.268 0.000 2.106 630 E HA -0.176 4.175 4.350 0.001 0.000 0.192 630 E C 2.241 178.700 176.600 -0.235 0.000 0.984 630 E CA 1.083 57.311 56.400 -0.286 0.000 0.806 630 E CB -0.075 29.399 29.700 -0.377 0.000 0.750 630 E HN 0.615 nan 8.360 nan 0.000 0.458 631 E N -0.053 119.996 120.200 -0.251 0.000 2.110 631 E HA -0.186 4.164 4.350 0.001 0.000 0.193 631 E C 2.179 178.639 176.600 -0.235 0.000 0.988 631 E CA 1.137 57.395 56.400 -0.236 0.000 0.804 631 E CB -0.002 29.525 29.700 -0.289 0.000 0.745 631 E HN 0.280 nan 8.360 nan 0.000 0.458 632 M N 0.151 119.586 119.600 -0.274 0.000 2.175 632 M HA -0.118 4.362 4.480 0.001 0.000 0.264 632 M C 2.258 178.426 176.300 -0.220 0.000 1.063 632 M CA 1.027 56.180 55.300 -0.246 0.000 1.119 632 M CB -0.051 32.398 32.600 -0.252 0.000 1.377 632 M HN 0.206 nan 8.290 nan 0.000 0.415 633 L N -0.772 120.283 121.223 -0.279 0.000 2.056 633 L HA -0.173 4.168 4.340 0.001 0.000 0.207 633 L C 2.392 179.168 176.870 -0.156 0.000 1.078 633 L CA 0.834 55.479 54.840 -0.324 0.000 0.749 633 L CB -0.645 40.987 42.059 -0.712 0.000 0.901 633 L HN 0.120 nan 8.230 nan 0.000 0.433 634 V N 0.723 120.582 119.914 -0.092 0.000 2.358 634 V HA -0.261 3.860 4.120 0.001 0.000 0.246 634 V C 2.475 178.534 176.094 -0.059 0.000 1.047 634 V CA 2.076 64.367 62.300 -0.015 0.000 1.035 634 V CB -0.658 31.155 31.823 -0.017 0.000 0.658 634 V HN 0.647 nan 8.190 nan 0.000 0.452 635 E N 0.405 120.545 120.200 -0.099 0.000 2.268 635 E HA -0.227 4.123 4.350 0.001 0.000 0.195 635 E C 1.841 178.393 176.600 -0.081 0.000 0.995 635 E CA 1.051 57.394 56.400 -0.094 0.000 0.836 635 E CB -0.271 29.359 29.700 -0.117 0.000 0.763 635 E HN 0.527 nan 8.360 nan 0.000 0.491 636 K N -0.045 120.302 120.400 -0.088 0.000 2.459 636 K HA 0.081 4.402 4.320 0.001 0.000 0.193 636 K C 0.927 177.495 176.600 -0.053 0.000 1.030 636 K CA 0.495 56.736 56.287 -0.076 0.000 1.026 636 K CB 0.447 32.889 32.500 -0.096 0.000 0.809 636 K HN 0.381 nan 8.250 nan 0.000 0.504 637 G N 0.739 109.515 108.800 -0.040 0.000 2.179 637 G HA2 -0.190 3.770 3.960 0.001 0.000 0.220 637 G HA3 -0.190 3.770 3.960 0.001 0.000 0.220 637 G C -0.293 174.612 174.900 0.008 0.000 0.990 637 G CA -0.547 44.540 45.100 -0.020 0.000 0.646 637 G HN 0.008 nan 8.290 nan 0.000 0.517 638 L N 0.967 122.211 121.223 0.035 0.000 2.371 638 L HA 0.564 4.904 4.340 0.001 0.000 0.272 638 L C 0.711 177.704 176.870 0.205 0.000 1.124 638 L CA -0.157 54.760 54.840 0.129 0.000 0.816 638 L CB 1.287 43.436 42.059 0.150 0.000 1.129 638 L HN 0.257 nan 8.230 nan 0.000 0.448 639 K N 2.076 122.551 120.400 0.126 0.000 2.213 639 K HA 0.217 4.537 4.320 0.001 0.000 0.270 639 K C -0.611 175.828 176.600 -0.267 0.000 1.002 639 K CA -0.504 55.779 56.287 -0.006 0.000 0.868 639 K CB 0.431 32.918 32.500 -0.021 0.000 1.093 639 K HN 0.680 nan 8.250 nan 0.000 0.454 640 H N 2.772 121.498 119.070 -0.574 0.000 2.864 640 H HA 0.364 4.920 4.556 0.001 0.000 0.281 640 H C -0.184 174.758 175.328 -0.643 0.000 1.093 640 H CA 0.159 55.551 56.048 -1.093 0.000 1.453 640 H CB 0.596 29.872 29.762 -0.810 0.000 1.462 640 H HN 0.921 nan 8.280 nan 0.000 0.480 641 G N 3.317 111.879 108.800 -0.397 0.000 2.345 641 G HA2 -0.148 3.813 3.960 0.001 0.000 0.310 641 G HA3 -0.148 3.813 3.960 0.001 0.000 0.310 641 G C -0.403 174.356 174.900 -0.235 0.000 1.476 641 G CA -0.792 44.073 45.100 -0.392 0.000 0.978 641 G HN 0.688 nan 8.290 nan 0.000 0.656 642 W N 0.001 121.212 121.300 -0.148 0.000 2.595 642 W HA 0.101 4.762 4.660 0.001 0.000 0.257 642 W C 1.999 178.555 176.519 0.061 0.000 1.267 642 W CA 0.873 58.054 57.345 -0.273 0.000 1.300 642 W CB 0.347 29.531 29.460 -0.459 0.000 1.120 642 W HN 0.643 nan 8.180 nan 0.000 0.618 643 D N -1.316 119.225 120.400 0.236 0.000 2.328 643 D HA 0.141 4.781 4.640 0.001 0.000 0.221 643 D C 1.177 177.584 176.300 0.179 0.000 1.072 643 D CA 0.451 54.571 54.000 0.201 0.000 0.850 643 D CB -0.470 40.395 40.800 0.109 0.000 0.922 643 D HN 0.112 nan 8.370 nan 0.000 0.516 644 G N 0.044 108.973 108.800 0.214 0.000 3.407 644 G HA2 0.173 4.133 3.960 0.001 0.000 0.187 644 G HA3 0.173 4.133 3.960 0.001 0.000 0.187 644 G C 0.230 175.224 174.900 0.157 0.000 1.262 644 G CA -0.169 45.007 45.100 0.127 0.000 0.808 644 G HN 0.001 nan 8.290 nan 0.000 0.687 645 D N -0.862 119.573 120.400 0.058 0.000 2.470 645 D HA 0.201 4.842 4.640 0.001 0.000 0.238 645 D C 0.105 176.397 176.300 -0.013 0.000 1.054 645 D CA 0.569 54.563 54.000 -0.009 0.000 0.896 645 D CB 1.046 41.895 40.800 0.081 0.000 1.118 645 D HN 0.281 nan 8.370 nan 0.000 0.497 646 F N -0.009 119.941 119.950 0.000 0.000 2.662 646 F HA 0.766 5.293 4.527 0.001 0.000 0.312 646 F C -1.817 174.012 175.800 0.049 0.000 1.113 646 F CA -1.763 56.250 58.000 0.021 0.000 0.951 646 F CB 1.650 40.578 39.000 -0.120 0.000 1.344 646 F HN -0.165 nan 8.300 nan 0.000 0.462 647 A N 1.539 124.353 122.820 -0.010 0.000 2.466 647 A HA 0.592 4.913 4.320 0.001 0.000 0.284 647 A C -2.188 175.364 177.584 -0.053 0.000 1.049 647 A CA -0.568 51.285 52.037 -0.306 0.000 0.760 647 A CB 0.221 18.440 19.000 -1.302 0.000 1.274 647 A HN 0.679 nan 8.150 nan 0.000 0.412 648 Y N 2.430 122.698 120.300 -0.053 0.000 2.632 648 Y HA 0.181 4.732 4.550 0.001 0.000 0.329 648 Y C 1.466 177.241 175.900 -0.208 0.000 1.174 648 Y CA 0.304 58.342 58.100 -0.103 0.000 1.469 648 Y CB 0.656 39.114 38.460 -0.003 0.000 1.242 648 Y HN 0.732 nan 8.280 nan 0.000 0.540 649 M N 1.927 121.371 119.600 -0.259 0.000 2.638 649 M HA 0.409 4.889 4.480 0.001 0.000 0.256 649 M C 0.228 176.285 176.300 -0.404 0.000 1.282 649 M CA 0.377 55.404 55.300 -0.456 0.000 1.155 649 M CB 0.744 32.747 32.600 -0.995 0.000 1.345 649 M HN 0.535 nan 8.290 nan 0.000 0.523 650 A N -0.144 122.469 122.820 -0.345 0.000 2.566 650 A HA 0.554 4.875 4.320 0.001 0.000 0.297 650 A C -2.606 175.011 177.584 0.054 0.000 1.059 650 A CA -0.391 51.595 52.037 -0.085 0.000 0.691 650 A CB 0.963 19.902 19.000 -0.101 0.000 1.282 650 A HN 0.375 nan 8.150 nan 0.000 0.401 651 W N 2.781 124.086 121.300 0.009 0.000 2.463 651 W HA 0.597 5.257 4.660 0.001 0.000 0.316 651 W C -1.837 174.754 176.519 0.120 0.000 1.004 651 W CA -0.970 56.401 57.345 0.044 0.000 1.309 651 W CB 1.570 31.073 29.460 0.072 0.000 1.288 651 W HN 0.471 nan 8.180 nan 0.000 0.423 652 V N 9.433 129.309 119.914 -0.063 0.000 2.235 652 V HA 0.218 4.338 4.120 0.001 0.000 0.266 652 V C 0.808 176.706 176.094 -0.326 0.000 1.055 652 V CA -0.154 61.938 62.300 -0.347 0.000 0.844 652 V CB -0.095 31.725 31.823 -0.005 0.000 1.097 652 V HN 0.811 nan 8.190 nan 0.000 0.453 653 H N 2.785 121.578 119.070 -0.462 0.000 1.867 653 H HA -0.246 4.310 4.556 0.001 0.000 0.090 653 H C 1.289 176.734 175.328 0.196 0.000 0.579 653 H CA 2.344 58.267 56.048 -0.209 0.000 1.857 653 H CB -0.960 28.763 29.762 -0.065 0.000 2.192 653 H HN 0.836 nan 8.280 nan 0.000 0.954 654 D N 2.610 123.230 120.400 0.367 0.000 2.440 654 D HA 0.169 4.809 4.640 0.001 0.000 0.216 654 D C 0.446 177.011 176.300 0.441 0.000 1.150 654 D CA 0.549 54.782 54.000 0.390 0.000 0.832 654 D CB 0.297 41.236 40.800 0.232 0.000 0.992 654 D HN 0.763 nan 8.370 nan 0.000 0.502 655 E N 0.326 120.823 120.200 0.495 0.000 2.383 655 E HA 0.586 4.936 4.350 0.001 0.000 0.275 655 E C -0.742 176.117 176.600 0.431 0.000 0.918 655 E CA -1.221 55.462 56.400 0.471 0.000 0.764 655 E CB 2.245 32.150 29.700 0.343 0.000 1.252 655 E HN 0.154 nan 8.360 nan 0.000 0.449 656 I N -1.326 119.383 120.570 0.232 0.000 2.730 656 I HA 0.503 4.674 4.170 0.001 0.000 0.298 656 I C -1.103 174.914 176.117 -0.166 0.000 1.089 656 I CA -1.130 60.146 61.300 -0.040 0.000 1.041 656 I CB 2.302 40.062 38.000 -0.400 0.000 1.235 656 I HN 0.319 nan 8.210 nan 0.000 0.423 657 Q N 4.341 123.948 119.800 -0.322 0.000 2.333 657 Q HA 0.609 4.950 4.340 0.001 0.000 0.268 657 Q C -1.118 174.624 176.000 -0.430 0.000 1.007 657 Q CA -0.695 54.868 55.803 -0.400 0.000 0.810 657 Q CB 2.990 31.328 28.738 -0.667 0.000 1.264 657 Q HN 0.645 nan 8.270 nan 0.000 0.452 658 V N 0.961 120.692 119.914 -0.304 0.000 2.540 658 V HA 0.654 4.775 4.120 0.001 0.000 0.302 658 V C 0.419 176.484 176.094 -0.048 0.000 1.035 658 V CA -0.985 61.181 62.300 -0.224 0.000 0.873 658 V CB 1.995 33.673 31.823 -0.242 0.000 0.992 658 V HN 0.812 nan 8.190 nan 0.000 0.428 659 G N 2.397 111.229 108.800 0.053 0.000 2.390 659 G HA2 0.475 4.435 3.960 0.001 0.000 0.270 659 G HA3 0.475 4.435 3.960 0.001 0.000 0.270 659 G C -0.488 174.676 174.900 0.440 0.000 1.211 659 G CA -0.138 45.166 45.100 0.339 0.000 0.842 659 G HN 0.802 nan 8.290 nan 0.000 0.519 660 C N 2.234 121.725 119.300 0.318 0.000 2.547 660 C HA 0.446 4.906 4.460 0.001 0.000 0.313 660 C C 1.647 176.243 174.990 -0.656 0.000 1.191 660 C CA -0.784 58.169 59.018 -0.107 0.000 1.474 660 C CB 1.742 29.436 27.740 -0.077 0.000 2.081 660 C HN 1.061 nan 8.230 nan 0.000 0.476 661 R N 1.176 120.846 120.500 -1.383 0.000 2.127 661 R HA -0.072 4.269 4.340 0.001 0.000 0.238 661 R C 0.852 176.745 176.300 -0.678 0.000 1.134 661 R CA 1.938 57.055 56.100 -1.639 0.000 0.975 661 R CB 0.133 29.794 30.300 -1.064 0.000 0.865 661 R HN 0.941 nan 8.270 nan 0.000 0.447 662 T N -4.850 109.467 114.554 -0.395 0.000 2.841 662 T HA 0.217 4.567 4.350 0.001 0.000 0.296 662 T C 0.340 174.961 174.700 -0.131 0.000 1.166 662 T CA -0.944 61.036 62.100 -0.201 0.000 1.007 662 T CB 1.745 70.523 68.868 -0.149 0.000 1.253 662 T HN 0.063 nan 8.240 nan 0.000 0.511 663 E N 0.065 120.218 120.200 -0.078 0.000 2.106 663 E HA -0.138 4.212 4.350 0.001 0.000 0.192 663 E C 1.804 178.372 176.600 -0.054 0.000 0.984 663 E CA 1.171 57.541 56.400 -0.049 0.000 0.806 663 E CB 0.054 29.738 29.700 -0.027 0.000 0.750 663 E HN 0.841 nan 8.360 nan 0.000 0.458 664 E N 0.897 121.061 120.200 -0.061 0.000 2.058 664 E HA -0.215 4.135 4.350 0.001 0.000 0.194 664 E C 2.044 178.601 176.600 -0.071 0.000 0.997 664 E CA 1.077 57.442 56.400 -0.057 0.000 0.801 664 E CB -0.059 29.608 29.700 -0.055 0.000 0.746 664 E HN 0.223 nan 8.360 nan 0.000 0.450 665 I N 0.952 121.466 120.570 -0.092 0.000 2.226 665 I HA -0.266 3.905 4.170 0.001 0.000 0.245 665 I C 2.581 178.636 176.117 -0.103 0.000 1.100 665 I CA 0.979 62.216 61.300 -0.104 0.000 1.374 665 I CB -0.343 37.579 38.000 -0.130 0.000 1.057 665 I HN 0.218 nan 8.210 nan 0.000 0.413 666 A N 0.143 122.910 122.820 -0.087 0.000 1.902 666 A HA -0.230 4.090 4.320 0.001 0.000 0.217 666 A C 2.279 179.825 177.584 -0.063 0.000 1.181 666 A CA 1.382 53.379 52.037 -0.068 0.000 0.623 666 A CB -0.445 18.531 19.000 -0.040 0.000 0.818 666 A HN 0.396 nan 8.150 nan 0.000 0.443 667 Q N -0.335 119.433 119.800 -0.054 0.000 2.124 667 Q HA -0.097 4.244 4.340 0.001 0.000 0.202 667 Q C 2.321 178.286 176.000 -0.058 0.000 0.977 667 Q CA 1.560 57.337 55.803 -0.043 0.000 0.850 667 Q CB -0.686 28.031 28.738 -0.034 0.000 0.901 667 Q HN 0.511 nan 8.270 nan 0.000 0.429 668 V N 0.371 120.238 119.914 -0.079 0.000 2.358 668 V HA -0.184 3.937 4.120 0.001 0.000 0.246 668 V C 2.477 178.492 176.094 -0.131 0.000 1.047 668 V CA 1.173 63.415 62.300 -0.098 0.000 1.035 668 V CB -0.547 31.211 31.823 -0.109 0.000 0.658 668 V HN 0.085 nan 8.190 nan 0.000 0.452 669 V N -0.135 119.683 119.914 -0.160 0.000 2.343 669 V HA -0.260 3.860 4.120 0.001 0.000 0.247 669 V C 2.187 178.198 176.094 -0.137 0.000 1.051 669 V CA 2.181 64.354 62.300 -0.212 0.000 1.036 669 V CB -0.436 31.248 31.823 -0.233 0.000 0.654 669 V HN 0.439 nan 8.190 nan 0.000 0.451 670 I N -0.132 120.390 120.570 -0.081 0.000 2.179 670 I HA -0.254 3.916 4.170 0.001 0.000 0.242 670 I C 2.528 178.642 176.117 -0.006 0.000 1.088 670 I CA 1.745 63.029 61.300 -0.025 0.000 1.357 670 I CB -0.360 37.635 38.000 -0.009 0.000 1.051 670 I HN 0.404 nan 8.210 nan 0.000 0.409 671 E N 0.027 120.211 120.200 -0.026 0.000 2.106 671 E HA -0.153 4.197 4.350 0.001 0.000 0.192 671 E C 2.085 178.674 176.600 -0.017 0.000 0.984 671 E CA 1.653 58.043 56.400 -0.015 0.000 0.806 671 E CB -0.149 29.535 29.700 -0.027 0.000 0.750 671 E HN 0.449 nan 8.360 nan 0.000 0.458 672 T N 0.955 115.475 114.554 -0.057 0.000 2.821 672 T HA -0.089 4.261 4.350 0.001 0.000 0.267 672 T C 2.025 176.708 174.700 -0.028 0.000 1.046 672 T CA 1.052 63.105 62.100 -0.077 0.000 1.139 672 T CB -0.143 68.628 68.868 -0.161 0.000 0.871 672 T HN 0.235 nan 8.240 nan 0.000 0.454 673 A N 1.282 124.105 122.820 0.005 0.000 1.972 673 A HA -0.137 4.183 4.320 0.001 0.000 0.219 673 A C 2.263 180.055 177.584 0.347 0.000 1.169 673 A CA 1.796 53.937 52.037 0.174 0.000 0.635 673 A CB -0.596 18.515 19.000 0.185 0.000 0.810 673 A HN 0.436 nan 8.150 nan 0.000 0.446 674 Q N 0.323 120.226 119.800 0.171 0.000 2.083 674 Q HA -0.141 4.200 4.340 0.001 0.000 0.198 674 Q C 1.756 177.821 176.000 0.108 0.000 0.969 674 Q CA 2.184 58.057 55.803 0.117 0.000 0.838 674 Q CB -0.387 28.388 28.738 0.062 0.000 0.900 674 Q HN 0.734 nan 8.270 nan 0.000 0.436 675 E N -0.153 120.099 120.200 0.087 0.000 2.077 675 E HA -0.176 4.174 4.350 0.001 0.000 0.193 675 E C 1.907 178.590 176.600 0.139 0.000 0.989 675 E CA 1.013 57.462 56.400 0.083 0.000 0.800 675 E CB -0.260 29.459 29.700 0.032 0.000 0.746 675 E HN 0.506 nan 8.360 nan 0.000 0.452 676 A N 1.021 123.929 122.820 0.146 0.000 1.933 676 A HA -0.204 4.117 4.320 0.001 0.000 0.218 676 A C 2.115 179.913 177.584 0.357 0.000 1.175 676 A CA 1.524 53.681 52.037 0.199 0.000 0.628 676 A CB -0.385 18.687 19.000 0.119 0.000 0.814 676 A HN 0.194 nan 8.150 nan 0.000 0.444 677 M N -0.475 119.311 119.600 0.311 0.000 2.132 677 M HA -0.072 4.408 4.480 0.001 0.000 0.263 677 M C 1.926 178.264 176.300 0.062 0.000 1.065 677 M CA 1.434 56.770 55.300 0.061 0.000 1.122 677 M CB -0.382 32.074 32.600 -0.240 0.000 1.365 677 M HN 0.247 nan 8.290 nan 0.000 0.411 678 R N -1.235 119.320 120.500 0.091 0.000 2.096 678 R HA -0.179 4.162 4.340 0.001 0.000 0.235 678 R C 2.076 178.437 176.300 0.102 0.000 1.127 678 R CA 1.703 57.848 56.100 0.074 0.000 0.968 678 R CB -1.665 28.679 30.300 0.074 0.000 0.861 678 R HN 0.690 nan 8.270 nan 0.000 0.440 679 W N 1.143 122.434 121.300 -0.015 0.000 2.358 679 W HA -0.184 4.476 4.660 0.001 0.000 0.303 679 W C 1.897 178.384 176.519 -0.054 0.000 1.208 679 W CA 1.217 58.544 57.345 -0.031 0.000 1.274 679 W CB -0.165 29.264 29.460 -0.052 0.000 1.138 679 W HN -0.205 nan 8.180 nan 0.000 0.515 680 V N 1.121 121.148 119.914 0.190 0.000 2.343 680 V HA -0.236 3.884 4.120 0.001 0.000 0.247 680 V C 2.457 178.451 176.094 -0.166 0.000 1.051 680 V CA 2.120 64.386 62.300 -0.056 0.000 1.036 680 V CB -1.650 30.217 31.823 0.074 0.000 0.654 680 V HN 0.429 nan 8.190 nan 0.000 0.451 681 G N -0.351 108.393 108.800 -0.095 0.000 2.418 681 G HA2 -0.348 3.613 3.960 0.001 0.000 0.217 681 G HA3 -0.348 3.613 3.960 0.001 0.000 0.217 681 G C 1.311 176.201 174.900 -0.018 0.000 1.158 681 G CA 1.215 46.282 45.100 -0.054 0.000 0.771 681 G HN 0.608 nan 8.290 nan 0.000 0.545 682 D N -0.615 119.721 120.400 -0.107 0.000 2.117 682 D HA -0.158 4.482 4.640 0.001 0.000 0.198 682 D C 2.078 178.238 176.300 -0.233 0.000 0.982 682 D CA 1.156 55.072 54.000 -0.140 0.000 0.828 682 D CB -0.255 40.439 40.800 -0.177 0.000 0.967 682 D HN 0.424 nan 8.370 nan 0.000 0.464 683 H N -1.174 117.548 119.070 -0.580 0.000 2.352 683 H HA -0.122 4.434 4.556 0.001 0.000 0.299 683 H C 0.692 175.822 175.328 -0.331 0.000 1.097 683 H CA 1.749 57.361 56.048 -0.727 0.000 1.311 683 H CB -0.091 28.873 29.762 -1.330 0.000 1.377 683 H HN 0.272 nan 8.280 nan 0.000 0.504 684 W N 1.305 122.482 121.300 -0.205 0.000 3.194 684 W HA 0.289 4.949 4.660 0.001 0.000 0.408 684 W C -0.075 176.436 176.519 -0.012 0.000 1.072 684 W CA -0.343 56.923 57.345 -0.131 0.000 1.953 684 W CB -0.607 28.839 29.460 -0.023 0.000 1.091 684 W HN 0.250 nan 8.180 nan 0.000 0.699 685 N N 0.592 119.375 118.700 0.140 0.000 2.714 685 N HA -0.271 4.469 4.740 0.001 0.000 0.252 685 N C -0.434 175.208 175.510 0.220 0.000 1.014 685 N CA 0.959 54.085 53.050 0.127 0.000 0.735 685 N CB -1.879 36.658 38.487 0.083 0.000 0.924 685 N HN -0.015 nan 8.380 nan 0.000 0.540 686 F N 1.107 121.054 119.950 -0.005 0.000 2.529 686 F HA 0.058 4.585 4.527 0.001 0.000 0.365 686 F C 2.013 177.880 175.800 0.112 0.000 1.102 686 F CA -0.310 57.646 58.000 -0.074 0.000 1.271 686 F CB 0.679 39.579 39.000 -0.167 0.000 1.120 686 F HN -0.032 nan 8.300 nan 0.000 0.579 687 R N 2.494 123.076 120.500 0.137 0.000 2.313 687 R HA 0.057 4.397 4.340 0.001 0.000 0.199 687 R C -0.310 176.005 176.300 0.025 0.000 0.958 687 R CA 0.238 56.354 56.100 0.026 0.000 1.047 687 R CB -0.787 29.433 30.300 -0.133 0.000 0.955 687 R HN 0.398 nan 8.270 nan 0.000 0.481 688 C N 1.201 120.544 119.300 0.072 0.000 2.482 688 C HA 0.409 4.870 4.460 0.001 0.000 0.317 688 C C -0.278 174.837 174.990 0.209 0.000 1.197 688 C CA -1.413 57.684 59.018 0.133 0.000 1.432 688 C CB 0.420 28.245 27.740 0.142 0.000 2.062 688 C HN 0.324 nan 8.230 nan 0.000 0.471 689 L N 6.042 127.342 121.223 0.128 0.000 2.490 689 L HA 0.393 4.734 4.340 0.001 0.000 0.274 689 L C -0.425 176.500 176.870 0.092 0.000 1.201 689 L CA 0.855 55.754 54.840 0.099 0.000 0.869 689 L CB 0.324 42.417 42.059 0.056 0.000 1.123 689 L HN 0.591 nan 8.230 nan 0.000 0.484 690 L N 4.728 125.985 121.223 0.056 0.000 2.325 690 L HA 0.576 4.916 4.340 0.001 0.000 0.278 690 L C -0.502 176.343 176.870 -0.042 0.000 1.023 690 L CA -0.693 54.145 54.840 -0.005 0.000 0.811 690 L CB 1.565 43.578 42.059 -0.077 0.000 1.249 690 L HN 0.597 nan 8.230 nan 0.000 0.431 691 D N -0.011 120.348 120.400 -0.070 0.000 2.559 691 D HA 0.603 5.244 4.640 0.001 0.000 0.250 691 D C -0.759 175.462 176.300 -0.130 0.000 1.135 691 D CA -0.188 53.769 54.000 -0.072 0.000 0.955 691 D CB 2.660 43.443 40.800 -0.028 0.000 1.442 691 D HN 0.585 nan 8.370 nan 0.000 0.471 692 T N -2.990 111.510 114.554 -0.091 0.000 2.883 692 T HA 0.655 5.005 4.350 0.001 0.000 0.296 692 T C -0.889 173.810 174.700 -0.002 0.000 1.117 692 T CA -0.850 61.200 62.100 -0.084 0.000 1.006 692 T CB 2.800 71.639 68.868 -0.049 0.000 1.191 692 T HN 0.360 nan 8.240 nan 0.000 0.508 693 E N -0.163 120.055 120.200 0.030 0.000 2.292 693 E HA 0.585 4.935 4.350 0.001 0.000 0.272 693 E C -0.918 175.727 176.600 0.074 0.000 0.881 693 E CA -0.974 55.452 56.400 0.044 0.000 0.754 693 E CB 1.728 31.448 29.700 0.033 0.000 1.201 693 E HN 1.067 nan 8.360 nan 0.000 0.425 694 G N 2.983 111.823 108.800 0.067 0.000 2.519 694 G HA2 0.583 4.543 3.960 0.001 0.000 0.307 694 G HA3 0.583 4.543 3.960 0.001 0.000 0.307 694 G C -1.248 173.690 174.900 0.065 0.000 1.266 694 G CA -0.592 44.552 45.100 0.073 0.000 0.970 694 G HN 0.377 nan 8.290 nan 0.000 0.481 695 K N 0.871 121.318 120.400 0.077 0.000 2.464 695 K HA 0.478 4.798 4.320 0.001 0.000 0.253 695 K C -0.910 175.735 176.600 0.076 0.000 0.933 695 K CA -0.732 55.605 56.287 0.083 0.000 0.801 695 K CB 3.044 35.618 32.500 0.122 0.000 1.271 695 K HN 0.510 nan 8.250 nan 0.000 0.430 696 M N 1.533 121.171 119.600 0.064 0.000 2.336 696 M HA 0.598 5.078 4.480 0.001 0.000 0.342 696 M C -0.603 175.739 176.300 0.069 0.000 1.128 696 M CA 0.020 55.352 55.300 0.054 0.000 1.016 696 M CB 1.594 34.213 32.600 0.032 0.000 1.665 696 M HN 0.855 nan 8.290 nan 0.000 0.445 697 G N 3.335 112.179 108.800 0.074 0.000 2.488 697 G HA2 0.431 4.392 3.960 0.001 0.000 0.301 697 G HA3 0.431 4.392 3.960 0.001 0.000 0.301 697 G C -3.173 171.774 174.900 0.078 0.000 1.339 697 G CA -0.639 44.508 45.100 0.078 0.000 0.803 697 G HN 0.420 nan 8.290 nan 0.000 0.482 698 P HA 0.101 nan 4.420 nan 0.000 0.230 698 P C 0.085 177.415 177.300 0.050 0.000 1.168 698 P CA 0.836 63.961 63.100 0.043 0.000 0.793 698 P CB 0.289 31.992 31.700 0.005 0.000 0.851 699 N N -3.355 115.412 118.700 0.112 0.000 3.039 699 N HA 0.044 4.784 4.740 0.001 0.000 0.257 699 N C 0.014 175.715 175.510 0.319 0.000 1.497 699 N CA -0.872 52.301 53.050 0.205 0.000 0.861 699 N CB -0.473 38.120 38.487 0.177 0.000 1.479 699 N HN -0.311 nan 8.380 nan 0.000 0.547 700 W N 0.380 121.806 121.300 0.211 0.000 2.425 700 W HA 0.205 4.866 4.660 0.001 0.000 0.277 700 W C 1.856 178.436 176.519 0.102 0.000 1.231 700 W CA 1.730 59.187 57.345 0.187 0.000 1.248 700 W CB -1.152 28.409 29.460 0.168 0.000 1.117 700 W HN 0.782 nan 8.180 nan 0.000 0.568 701 A N 0.071 123.054 122.820 0.271 0.000 1.877 701 A HA -0.184 4.137 4.320 0.001 0.000 0.216 701 A C 1.889 179.449 177.584 -0.040 0.000 1.186 701 A CA 1.897 53.968 52.037 0.056 0.000 0.620 701 A CB -0.801 18.221 19.000 0.037 0.000 0.822 701 A HN 0.104 nan 8.150 nan 0.000 0.443 702 I N -0.281 120.327 120.570 0.064 0.000 2.406 702 I HA -0.129 4.041 4.170 0.001 0.000 0.249 702 I C 1.252 177.483 176.117 0.191 0.000 1.122 702 I CA 0.721 62.058 61.300 0.061 0.000 1.431 702 I CB -1.504 36.547 38.000 0.084 0.000 1.087 702 I HN 0.265 nan 8.210 nan 0.000 0.424 703 C N 1.711 121.168 119.300 0.263 0.000 2.269 703 C HA 0.134 4.594 4.460 0.001 0.000 0.378 703 C C 1.331 176.579 174.990 0.430 0.000 1.319 703 C CA -0.621 58.582 59.018 0.307 0.000 1.721 703 C CB -2.732 25.152 27.740 0.240 0.000 1.998 703 C HN 0.477 nan 8.230 nan 0.000 0.582 704 H N 0.000 119.202 119.070 0.219 0.000 2.539 704 H HA 0.000 4.556 4.556 0.001 0.000 0.296 704 H CA 0.000 56.162 56.048 0.191 0.000 1.023 704 H CB 0.000 29.825 29.762 0.105 0.000 1.292 704 H HN 0.000 nan 8.280 nan 0.000 0.496