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 2zuv_1_A DATA FIRST_RESID 3 DATA SEQUENCE STGRFTLPSE ENFAEKTKEL AELWGADAIR NSDXXXXXXA VLALGKKIYN DATA SEQUENCE AYFPTRAHNE WITLHMDETP QVYLLTDRIL AESDTVDIPL MESFFAEQLK DATA SEQUENCE PNRDADPHKY WEVVDRTTGE VVDSANWTLD ADEDTVHVSG VAAWHEYTVS DATA SEQUENCE FLAYIIWDPV EMYNHLTNDW GDKEHEIPFD IYHPATRKFV FDTFEQWLKD DATA SEQUENCE SPQTDVVRFT TFFYQFTLLF DEKRREKVVD WFGCACTVSP RALDDFEAKY DATA SEQUENCE GYRLRPEDFV DGGAYNSAWR VPRKAQRDWI DFLSGFVREN VKQLADMSHA DATA SEQUENCE AGKEAMMFLG DQWIGTEPYK DGFDELGLDA VVGSIGDGTT TRMIADIPGV DATA SEQUENCE KYTEGRFLPY FFPDTFYEGN DPSIEGLDNW RKARRAILRS PISRMGYGGY DATA SEQUENCE LSLAAKFPKF VDTVTHIANE FRDIHDRTGG VAAEGELNVA ILNSWGKMRS DATA SEQUENCE WMAFTVAHAL PNKQTYSYYG ILESLSGMRV NVRFISFDDV LAHGIDSDID DATA SEQUENCE VIINGGPVDT AFTGGDVWTN PKLVETVRAW VRGGGAFVGV GEPSSAPRFQ DATA SEQUENCE TGRFFQLADV IGVDEERYQT LSVDKYFPPV VPDHFITADV PVDPAAREAW DATA SEQUENCE EQAGYRIPLS GCGGGQSIKP LGGIDFGEPV LNTYPVNENV TLLRADGGQV DATA SEQUENCE QLATNDYGKG RGVYISGLPY SAANARLLER VLFYASHNED KYAAWSSSNP DATA SEQUENCE ECEVAHFPEQ GLYCVINNTD QPQKTTVTLA DGTTEDFDLP DSGIAWR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.591 174.600 -0.015 0.000 1.055 3 S CA 0.000 58.190 58.200 -0.018 0.000 1.107 3 S CB 0.000 63.192 63.200 -0.013 0.000 0.593 4 T N 0.118 114.669 114.554 -0.005 0.000 2.900 4 T HA 0.856 5.207 4.350 0.001 0.000 0.303 4 T C 0.186 174.901 174.700 0.025 0.000 1.142 4 T CA 1.072 63.172 62.100 0.001 0.000 1.007 4 T CB 0.855 69.718 68.868 -0.008 0.000 1.156 4 T HN 2.654 nan 8.240 nan 0.000 0.490 5 G N 2.261 111.092 108.800 0.051 0.000 2.483 5 G HA2 0.059 4.019 3.960 0.001 0.000 0.521 5 G HA3 0.059 4.019 3.960 0.001 0.000 0.521 5 G C -0.394 174.587 174.900 0.136 0.000 1.278 5 G CA -0.025 45.122 45.100 0.078 0.000 0.965 5 G HN 1.101 nan 8.290 nan 0.000 0.504 6 R N -2.084 118.483 120.500 0.111 0.000 3.641 6 R HA -0.215 4.125 4.340 0.001 0.000 0.286 6 R C -0.235 176.140 176.300 0.126 0.000 1.153 6 R CA 1.515 57.696 56.100 0.135 0.000 0.775 6 R CB -1.737 28.706 30.300 0.238 0.000 1.215 6 R HN 1.269 nan 8.270 nan 0.000 0.474 7 F N -0.514 119.411 119.950 -0.042 0.000 2.573 7 F HA 0.292 4.820 4.527 0.001 0.000 0.316 7 F C -0.326 175.439 175.800 -0.059 0.000 1.148 7 F CA -0.471 57.485 58.000 -0.074 0.000 0.940 7 F CB 1.876 40.856 39.000 -0.033 0.000 1.214 7 F HN -0.174 nan 8.300 nan 0.000 0.448 8 T N 7.125 121.410 114.554 -0.447 0.000 2.749 8 T HA 0.433 4.784 4.350 0.001 0.000 0.287 8 T C -0.908 173.636 174.700 -0.259 0.000 0.970 8 T CA -0.319 61.573 62.100 -0.347 0.000 0.980 8 T CB 1.027 69.633 68.868 -0.437 0.000 0.924 8 T HN 0.501 nan 8.240 nan 0.000 0.456 9 L N 7.119 128.390 121.223 0.081 0.000 2.289 9 L HA 0.540 4.881 4.340 0.001 0.000 0.285 9 L C -2.379 174.565 176.870 0.123 0.000 1.049 9 L CA -2.108 52.905 54.840 0.289 0.000 0.804 9 L CB 1.045 43.337 42.059 0.388 0.000 1.195 9 L HN 0.297 nan 8.230 nan 0.000 0.428 10 P HA 0.163 nan 4.420 nan 0.000 0.286 10 P C -0.998 176.400 177.300 0.164 0.000 1.269 10 P CA -0.281 62.870 63.100 0.086 0.000 0.787 10 P CB 1.572 33.273 31.700 0.002 0.000 0.920 11 S N 2.289 118.067 115.700 0.130 0.000 2.730 11 S HA 0.445 4.916 4.470 0.001 0.000 0.284 11 S C -0.577 174.122 174.600 0.166 0.000 1.153 11 S CA -0.379 57.922 58.200 0.168 0.000 0.995 11 S CB 0.670 63.948 63.200 0.130 0.000 1.058 11 S HN 0.559 nan 8.310 nan 0.000 0.552 12 E N 0.239 120.563 120.200 0.207 0.000 2.352 12 E HA 0.277 4.628 4.350 0.001 0.000 0.280 12 E C -1.527 175.189 176.600 0.193 0.000 0.930 12 E CA -0.644 55.863 56.400 0.179 0.000 0.765 12 E CB 1.282 31.060 29.700 0.131 0.000 1.219 12 E HN 0.543 nan 8.360 nan 0.000 0.434 13 E N 1.528 121.816 120.200 0.147 0.000 2.390 13 E HA 0.115 4.466 4.350 0.001 0.000 0.261 13 E C -0.651 176.041 176.600 0.153 0.000 1.076 13 E CA 0.347 56.826 56.400 0.132 0.000 0.905 13 E CB 0.413 30.169 29.700 0.095 0.000 0.984 13 E HN 0.675 nan 8.360 nan 0.000 0.427 14 N N 1.268 120.051 118.700 0.139 0.000 2.725 14 N HA -0.272 4.468 4.740 0.001 0.000 0.251 14 N C -0.432 175.237 175.510 0.264 0.000 1.031 14 N CA 0.630 53.767 53.050 0.146 0.000 0.720 14 N CB -1.230 37.321 38.487 0.107 0.000 0.930 14 N HN 0.366 nan 8.380 nan 0.000 0.543 15 F N -1.373 118.593 119.950 0.028 0.000 2.548 15 F HA 0.506 5.033 4.527 0.001 0.000 0.379 15 F C 1.301 177.106 175.800 0.009 0.000 1.380 15 F CA -0.130 57.883 58.000 0.022 0.000 1.095 15 F CB 0.130 39.156 39.000 0.043 0.000 1.270 15 F HN 0.160 nan 8.300 nan 0.000 0.509 16 A N 0.008 122.808 122.820 -0.033 0.000 1.873 16 A HA -0.133 4.188 4.320 0.001 0.000 0.215 16 A C 2.058 179.538 177.584 -0.172 0.000 1.186 16 A CA 1.887 53.881 52.037 -0.071 0.000 0.616 16 A CB -0.336 18.647 19.000 -0.029 0.000 0.823 16 A HN 0.537 nan 8.150 nan 0.000 0.442 17 E N -0.697 119.374 120.200 -0.214 0.000 2.077 17 E HA -0.226 4.124 4.350 0.001 0.000 0.193 17 E C 2.096 178.496 176.600 -0.333 0.000 0.989 17 E CA 1.533 57.797 56.400 -0.227 0.000 0.800 17 E CB -0.113 29.474 29.700 -0.188 0.000 0.746 17 E HN 0.458 nan 8.360 nan 0.000 0.452 18 K N 0.572 120.618 120.400 -0.590 0.000 2.167 18 K HA -0.044 4.277 4.320 0.001 0.000 0.203 18 K C 2.030 178.321 176.600 -0.516 0.000 1.052 18 K CA 1.269 57.143 56.287 -0.689 0.000 0.956 18 K CB -0.336 31.448 32.500 -1.193 0.000 0.735 18 K HN -0.038 nan 8.250 nan 0.000 0.451 19 T N 1.119 115.407 114.554 -0.444 0.000 2.652 19 T HA -0.151 4.199 4.350 0.001 0.000 0.267 19 T C 1.537 176.147 174.700 -0.150 0.000 1.039 19 T CA 1.829 63.838 62.100 -0.151 0.000 1.153 19 T CB -0.179 68.683 68.868 -0.009 0.000 0.863 19 T HN 0.305 nan 8.240 nan 0.000 0.428 20 K N 0.965 121.271 120.400 -0.156 0.000 2.063 20 K HA -0.132 4.189 4.320 0.001 0.000 0.208 20 K C 2.455 178.958 176.600 -0.162 0.000 1.048 20 K CA 1.452 57.662 56.287 -0.127 0.000 0.928 20 K CB -0.172 32.264 32.500 -0.108 0.000 0.713 20 K HN 0.479 nan 8.250 nan 0.000 0.442 21 E N 0.888 120.961 120.200 -0.212 0.000 2.077 21 E HA -0.141 4.209 4.350 0.001 0.000 0.193 21 E C 2.082 178.501 176.600 -0.302 0.000 0.989 21 E CA 0.921 57.184 56.400 -0.228 0.000 0.800 21 E CB -0.058 29.500 29.700 -0.237 0.000 0.746 21 E HN 0.225 nan 8.360 nan 0.000 0.452 22 L N 0.422 121.415 121.223 -0.383 0.000 2.156 22 L HA -0.106 4.235 4.340 0.001 0.000 0.208 22 L C 2.535 179.132 176.870 -0.454 0.000 1.095 22 L CA 0.638 55.099 54.840 -0.633 0.000 0.770 22 L CB -0.381 41.210 42.059 -0.781 0.000 0.914 22 L HN 0.142 nan 8.230 nan 0.000 0.439 23 A N 0.384 123.076 122.820 -0.213 0.000 1.908 23 A HA -0.274 4.046 4.320 0.001 0.000 0.218 23 A C 2.197 179.718 177.584 -0.106 0.000 1.181 23 A CA 2.068 54.057 52.037 -0.080 0.000 0.627 23 A CB -0.438 18.542 19.000 -0.032 0.000 0.818 23 A HN 0.443 nan 8.150 nan 0.000 0.445 24 E N -0.315 119.801 120.200 -0.139 0.000 2.047 24 E HA -0.162 4.188 4.350 0.001 0.000 0.191 24 E C 1.803 178.322 176.600 -0.135 0.000 0.987 24 E CA 1.362 57.691 56.400 -0.118 0.000 0.799 24 E CB -0.448 29.184 29.700 -0.113 0.000 0.752 24 E HN 0.369 nan 8.360 nan 0.000 0.449 25 L N -0.332 120.764 121.223 -0.212 0.000 2.012 25 L HA -0.122 4.218 4.340 0.001 0.000 0.210 25 L C 1.712 178.536 176.870 -0.076 0.000 1.073 25 L CA 1.715 56.434 54.840 -0.200 0.000 0.748 25 L CB -0.490 41.347 42.059 -0.370 0.000 0.891 25 L HN 0.336 nan 8.230 nan 0.000 0.431 26 W N 0.095 121.205 121.300 -0.316 0.000 3.139 26 W HA 0.424 5.085 4.660 0.001 0.000 0.260 26 W C 1.497 177.649 176.519 -0.611 0.000 1.312 26 W CA 0.326 57.319 57.345 -0.587 0.000 1.606 26 W CB -1.343 27.562 29.460 -0.924 0.000 1.118 26 W HN 0.390 nan 8.180 nan 0.000 0.675 27 G N 1.200 109.914 108.800 -0.144 0.000 2.298 27 G HA2 -0.046 3.914 3.960 0.001 0.000 0.287 27 G HA3 -0.046 3.914 3.960 0.001 0.000 0.287 27 G C 0.420 175.303 174.900 -0.029 0.000 1.075 27 G CA -0.046 45.000 45.100 -0.089 0.000 0.960 27 G HN 0.439 nan 8.290 nan 0.000 0.502 28 A N 0.202 123.038 122.820 0.028 0.000 2.450 28 A HA 0.559 4.880 4.320 0.001 0.000 0.255 28 A C 1.188 178.850 177.584 0.129 0.000 1.096 28 A CA 0.641 52.818 52.037 0.233 0.000 0.778 28 A CB 0.396 19.577 19.000 0.302 0.000 1.031 28 A HN 0.858 nan 8.150 nan 0.000 0.494 29 D N 0.417 120.894 120.400 0.128 0.000 2.469 29 D HA 0.430 5.071 4.640 0.001 0.000 0.213 29 D C 0.074 176.394 176.300 0.034 0.000 1.135 29 D CA 0.694 54.732 54.000 0.064 0.000 0.834 29 D CB 0.202 41.035 40.800 0.054 0.000 1.009 29 D HN 0.624 nan 8.370 nan 0.000 0.507 30 A N 0.250 123.067 122.820 -0.005 0.000 2.515 30 A HA 0.702 5.023 4.320 0.001 0.000 0.298 30 A C -1.314 176.177 177.584 -0.156 0.000 1.059 30 A CA -0.786 51.172 52.037 -0.133 0.000 0.698 30 A CB 1.436 20.207 19.000 -0.382 0.000 1.289 30 A HN 0.138 nan 8.150 nan 0.000 0.404 31 I N 1.770 122.252 120.570 -0.147 0.000 2.436 31 I HA 0.412 4.583 4.170 0.001 0.000 0.289 31 I C 0.165 176.218 176.117 -0.105 0.000 1.010 31 I CA -0.675 60.576 61.300 -0.081 0.000 1.098 31 I CB 2.063 40.071 38.000 0.014 0.000 1.266 31 I HN 0.842 nan 8.210 nan 0.000 0.434 32 R N 3.873 124.315 120.500 -0.098 0.000 2.204 32 R HA 0.441 4.782 4.340 0.001 0.000 0.341 32 R C -0.720 175.612 176.300 0.054 0.000 1.035 32 R CA -0.638 55.462 56.100 -0.001 0.000 0.887 32 R CB 0.420 30.718 30.300 -0.004 0.000 1.114 32 R HN 0.416 nan 8.270 nan 0.000 0.473 33 N N 1.390 120.143 118.700 0.089 0.000 2.444 33 N HA -0.005 4.736 4.740 0.001 0.000 0.255 33 N C -0.320 175.248 175.510 0.096 0.000 1.255 33 N CA 0.137 53.243 53.050 0.094 0.000 0.933 33 N CB 0.981 39.531 38.487 0.104 0.000 1.143 33 N HN 0.771 nan 8.380 nan 0.000 0.453 34 S N 0.193 115.953 115.700 0.100 0.000 2.573 34 S HA 0.128 4.599 4.470 0.001 0.000 0.277 34 S C -0.287 174.387 174.600 0.122 0.000 1.346 34 S CA -0.748 57.513 58.200 0.101 0.000 1.034 34 S CB 0.402 63.663 63.200 0.102 0.000 0.879 34 S HN 0.424 nan 8.310 nan 0.000 0.528 43 V N -2.102 117.825 119.914 0.021 0.000 2.591 43 V HA -0.001 4.120 4.120 0.001 0.000 0.249 43 V C 2.003 178.109 176.094 0.020 0.000 1.053 43 V CA 1.892 64.208 62.300 0.026 0.000 1.068 43 V CB -0.703 31.146 31.823 0.044 0.000 0.689 43 V HN 0.484 nan 8.190 nan 0.000 0.462 44 L N 1.819 123.051 121.223 0.015 0.000 2.027 44 L HA 0.172 4.513 4.340 0.001 0.000 0.206 44 L C 2.653 179.525 176.870 0.004 0.000 1.074 44 L CA 2.354 57.199 54.840 0.009 0.000 0.745 44 L CB -1.077 40.985 42.059 0.004 0.000 0.898 44 L HN 0.292 nan 8.230 nan 0.000 0.433 45 A N -0.633 122.187 122.820 0.000 0.000 1.972 45 A HA -0.150 4.170 4.320 0.001 0.000 0.219 45 A C 2.251 179.831 177.584 -0.007 0.000 1.169 45 A CA 1.810 53.844 52.037 -0.006 0.000 0.635 45 A CB -0.900 18.094 19.000 -0.010 0.000 0.810 45 A HN 0.513 nan 8.150 nan 0.000 0.446 46 L N -1.230 119.990 121.223 -0.005 0.000 2.201 46 L HA -0.009 4.331 4.340 0.001 0.000 0.212 46 L C 1.902 178.772 176.870 -0.000 0.000 1.105 46 L CA 0.767 55.604 54.840 -0.006 0.000 0.775 46 L CB -0.528 41.528 42.059 -0.005 0.000 0.913 46 L HN 0.604 nan 8.230 nan 0.000 0.440 47 G N 0.317 109.120 108.800 0.005 0.000 2.179 47 G HA2 -0.308 3.652 3.960 0.001 0.000 0.257 47 G HA3 -0.308 3.652 3.960 0.001 0.000 0.257 47 G C 0.217 175.126 174.900 0.015 0.000 1.010 47 G CA 0.368 45.473 45.100 0.008 0.000 0.736 47 G HN 0.270 nan 8.290 nan 0.000 0.513 48 K N -0.092 120.320 120.400 0.020 0.000 2.102 48 K HA 0.526 4.847 4.320 0.001 0.000 0.244 48 K C 0.907 177.533 176.600 0.044 0.000 1.021 48 K CA -0.532 55.772 56.287 0.028 0.000 0.913 48 K CB 0.507 33.021 32.500 0.024 0.000 1.062 48 K HN 0.212 nan 8.250 nan 0.000 0.485 49 K N 1.499 121.936 120.400 0.062 0.000 2.489 49 K HA 0.012 4.333 4.320 0.001 0.000 0.278 49 K C -0.585 176.097 176.600 0.136 0.000 1.000 49 K CA 0.105 56.462 56.287 0.116 0.000 1.012 49 K CB 0.296 32.897 32.500 0.169 0.000 0.903 49 K HN 0.320 nan 8.250 nan 0.000 0.485 50 I N 5.692 126.370 120.570 0.179 0.000 2.339 50 I HA 0.161 4.332 4.170 0.001 0.000 0.290 50 I C -0.615 175.716 176.117 0.358 0.000 0.994 50 I CA -0.640 60.774 61.300 0.191 0.000 1.191 50 I CB 0.687 38.753 38.000 0.111 0.000 1.343 50 I HN 0.483 nan 8.210 nan 0.000 0.458 51 Y N 4.567 124.900 120.300 0.056 0.000 2.342 51 Y HA 0.416 4.966 4.550 0.001 0.000 0.334 51 Y C 0.585 176.520 175.900 0.057 0.000 1.067 51 Y CA -1.250 56.880 58.100 0.051 0.000 1.128 51 Y CB 1.023 39.502 38.460 0.032 0.000 1.200 51 Y HN 0.428 nan 8.280 nan 0.000 0.464 52 N N 1.353 120.182 118.700 0.215 0.000 2.342 52 N HA 0.544 5.285 4.740 0.001 0.000 0.293 52 N C -0.844 174.661 175.510 -0.008 0.000 1.026 52 N CA -0.509 52.648 53.050 0.178 0.000 0.857 52 N CB 2.187 40.910 38.487 0.393 0.000 1.256 52 N HN 0.731 nan 8.380 nan 0.000 0.484 53 A N 2.499 125.244 122.820 -0.126 0.000 2.440 53 A HA 0.267 4.587 4.320 0.001 0.000 0.251 53 A C -0.952 176.156 177.584 -0.793 0.000 1.089 53 A CA 0.125 51.928 52.037 -0.389 0.000 0.779 53 A CB 0.021 18.836 19.000 -0.309 0.000 1.022 53 A HN 0.666 nan 8.150 nan 0.000 0.492 54 Y N 1.484 121.186 120.300 -0.997 0.000 2.409 54 Y HA 0.603 5.153 4.550 0.001 0.000 0.343 54 Y C -1.322 174.065 175.900 -0.855 0.000 0.973 54 Y CA -1.072 56.389 58.100 -1.065 0.000 1.064 54 Y CB 1.634 39.462 38.460 -1.055 0.000 1.207 54 Y HN 0.547 nan 8.280 nan 0.000 0.452 55 F N 7.245 126.808 119.950 -0.645 0.000 2.363 55 F HA 0.410 4.938 4.527 0.001 0.000 0.366 55 F C -2.035 173.569 175.800 -0.326 0.000 1.083 55 F CA -2.889 54.892 58.000 -0.364 0.000 1.176 55 F CB 0.871 39.704 39.000 -0.278 0.000 1.432 55 F HN 0.401 nan 8.300 nan 0.000 0.482 56 P HA -0.113 nan 4.420 nan 0.000 0.220 56 P C 1.345 178.694 177.300 0.081 0.000 1.148 56 P CA 1.453 64.619 63.100 0.109 0.000 0.803 56 P CB 0.112 31.890 31.700 0.129 0.000 0.782 57 T N -4.018 110.452 114.554 -0.141 0.000 3.134 57 T HA 0.316 4.666 4.350 0.001 0.000 0.260 57 T C 0.547 174.548 174.700 -1.164 0.000 1.027 57 T CA -0.541 61.211 62.100 -0.579 0.000 0.913 57 T CB -0.186 68.525 68.868 -0.262 0.000 1.046 57 T HN 0.205 nan 8.240 nan 0.000 0.553 58 R N -1.013 119.122 120.500 -0.608 0.000 3.132 58 R HA 0.761 5.101 4.340 0.001 0.000 0.257 58 R C 0.043 176.439 176.300 0.159 0.000 1.203 58 R CA -0.650 55.271 56.100 -0.297 0.000 1.008 58 R CB -0.107 30.102 30.300 -0.152 0.000 1.378 58 R HN 0.369 nan 8.270 nan 0.000 0.448 59 A N -0.369 122.527 122.820 0.126 0.000 2.952 59 A HA -0.151 4.170 4.320 0.001 0.000 0.252 59 A C -0.515 176.927 177.584 -0.238 0.000 1.323 59 A CA 1.385 53.407 52.037 -0.026 0.000 0.957 59 A CB -2.405 16.554 19.000 -0.067 0.000 1.130 59 A HN 0.699 nan 8.150 nan 0.000 0.799 60 H N -0.923 118.427 119.070 0.466 0.000 2.600 60 H HA 0.198 4.755 4.556 0.001 0.000 0.224 60 H C 0.759 176.255 175.328 0.280 0.000 1.413 60 H CA -0.275 56.010 56.048 0.394 0.000 1.401 60 H CB 0.100 30.151 29.762 0.481 0.000 1.772 60 H HN 0.378 nan 8.280 nan 0.000 0.528 61 N N 1.058 119.915 118.700 0.261 0.000 2.223 61 N HA -0.152 4.588 4.740 0.001 0.000 0.185 61 N C 2.046 177.601 175.510 0.076 0.000 1.016 61 N CA 0.885 54.028 53.050 0.154 0.000 0.863 61 N CB 0.265 38.800 38.487 0.080 0.000 0.983 61 N HN 0.636 nan 8.380 nan 0.000 0.429 62 E N -0.043 120.222 120.200 0.109 0.000 2.333 62 E HA -0.205 4.145 4.350 0.001 0.000 0.198 62 E C 1.622 178.237 176.600 0.025 0.000 1.007 62 E CA 0.649 57.091 56.400 0.069 0.000 0.845 62 E CB -0.554 29.224 29.700 0.131 0.000 0.766 62 E HN 0.632 nan 8.360 nan 0.000 0.507 63 W N 0.838 121.988 121.300 -0.250 0.000 2.560 63 W HA 0.009 4.670 4.660 0.001 0.000 0.303 63 W C 1.824 178.150 176.519 -0.321 0.000 1.151 63 W CA 0.358 57.376 57.345 -0.545 0.000 1.426 63 W CB -0.275 28.286 29.460 -1.498 0.000 1.135 63 W HN 0.070 nan 8.180 nan 0.000 0.522 64 I N 2.540 122.881 120.570 -0.381 0.000 2.546 64 I HA -0.213 3.958 4.170 0.001 0.000 0.255 64 I C 2.561 178.501 176.117 -0.295 0.000 1.163 64 I CA 2.353 63.438 61.300 -0.358 0.000 1.457 64 I CB -0.688 37.387 38.000 0.124 0.000 1.092 64 I HN 0.073 nan 8.210 nan 0.000 0.434 65 T N -1.561 112.857 114.554 -0.225 0.000 2.849 65 T HA -0.179 4.172 4.350 0.001 0.000 0.270 65 T C 1.792 176.292 174.700 -0.334 0.000 1.066 65 T CA 1.473 63.439 62.100 -0.223 0.000 1.130 65 T CB -0.797 67.980 68.868 -0.151 0.000 0.864 65 T HN 0.403 nan 8.240 nan 0.000 0.481 66 L N 0.068 120.998 121.223 -0.489 0.000 2.554 66 L HA 0.185 4.526 4.340 0.001 0.000 0.226 66 L C 0.973 177.175 176.870 -1.113 0.000 1.137 66 L CA 0.535 54.937 54.840 -0.730 0.000 0.863 66 L CB -0.172 41.410 42.059 -0.794 0.000 0.985 66 L HN 0.435 nan 8.230 nan 0.000 0.451 67 H N -0.927 117.796 119.070 -0.579 0.000 2.712 67 H HA 0.213 4.770 4.556 0.001 0.000 0.226 67 H C 0.881 175.994 175.328 -0.358 0.000 1.422 67 H CA -0.273 55.474 56.048 -0.503 0.000 1.270 67 H CB 0.803 30.142 29.762 -0.704 0.000 1.891 67 H HN 0.096 nan 8.280 nan 0.000 0.518 68 M N 0.878 120.314 119.600 -0.274 0.000 2.374 68 M HA -0.082 4.398 4.480 0.001 0.000 0.264 68 M C 1.203 177.268 176.300 -0.392 0.000 1.067 68 M CA 1.030 56.152 55.300 -0.297 0.000 1.103 68 M CB -0.537 31.869 32.600 -0.324 0.000 1.402 68 M HN 0.382 nan 8.290 nan 0.000 0.444 69 D N -0.283 119.941 120.400 -0.292 0.000 2.378 69 D HA -0.118 4.523 4.640 0.001 0.000 0.227 69 D C 0.689 176.927 176.300 -0.103 0.000 1.012 69 D CA 0.554 54.449 54.000 -0.175 0.000 0.905 69 D CB -0.526 40.249 40.800 -0.041 0.000 0.895 69 D HN 0.435 nan 8.370 nan 0.000 0.532 70 E N 0.225 120.358 120.200 -0.113 0.000 2.501 70 E HA 0.047 4.397 4.350 0.001 0.000 0.200 70 E C 0.249 177.020 176.600 0.285 0.000 1.016 70 E CA -0.116 56.264 56.400 -0.032 0.000 0.921 70 E CB 0.388 30.110 29.700 0.037 0.000 1.034 70 E HN 0.350 nan 8.360 nan 0.000 0.468 71 T N 0.579 115.263 114.554 0.215 0.000 2.856 71 T HA 0.164 4.514 4.350 0.001 0.000 0.306 71 T C -2.138 172.772 174.700 0.351 0.000 1.062 71 T CA -1.618 60.651 62.100 0.282 0.000 1.083 71 T CB 0.832 69.814 68.868 0.190 0.000 0.984 71 T HN -0.170 nan 8.240 nan 0.000 0.542 72 P HA 0.211 nan 4.420 nan 0.000 0.272 72 P C -0.712 176.702 177.300 0.191 0.000 1.240 72 P CA -0.336 62.931 63.100 0.278 0.000 0.791 72 P CB 0.550 32.399 31.700 0.248 0.000 0.978 73 Q N -0.723 119.126 119.800 0.083 0.000 2.495 73 Q HA 0.723 5.064 4.340 0.001 0.000 0.287 73 Q C -1.484 174.396 176.000 -0.199 0.000 1.078 73 Q CA -1.093 54.656 55.803 -0.090 0.000 0.793 73 Q CB 2.830 31.445 28.738 -0.205 0.000 1.459 73 Q HN 0.251 nan 8.270 nan 0.000 0.422 74 V N 0.766 120.483 119.914 -0.328 0.000 2.969 74 V HA 0.422 4.543 4.120 0.001 0.000 0.304 74 V C -1.987 173.802 176.094 -0.509 0.000 1.192 74 V CA -0.496 61.599 62.300 -0.341 0.000 0.962 74 V CB 1.703 33.413 31.823 -0.188 0.000 1.045 74 V HN 0.755 nan 8.190 nan 0.000 0.428 75 Y N 5.959 126.022 120.300 -0.394 0.000 2.402 75 Y HA 0.527 5.078 4.550 0.001 0.000 0.333 75 Y C 0.396 176.070 175.900 -0.377 0.000 1.076 75 Y CA 0.006 57.848 58.100 -0.429 0.000 1.299 75 Y CB 1.110 39.370 38.460 -0.333 0.000 1.197 75 Y HN 0.458 nan 8.280 nan 0.000 0.517 76 L N 5.042 125.931 121.223 -0.556 0.000 2.334 76 L HA 0.441 4.782 4.340 0.001 0.000 0.276 76 L C -1.038 175.622 176.870 -0.350 0.000 1.014 76 L CA -1.171 53.316 54.840 -0.587 0.000 0.815 76 L CB 1.766 42.891 42.059 -1.556 0.000 1.268 76 L HN 0.440 nan 8.230 nan 0.000 0.428 77 L N 2.549 123.857 121.223 0.141 0.000 2.296 77 L HA 0.441 4.782 4.340 0.001 0.000 0.286 77 L C 0.560 177.656 176.870 0.378 0.000 1.023 77 L CA 0.048 54.981 54.840 0.155 0.000 0.812 77 L CB 1.644 43.717 42.059 0.023 0.000 1.223 77 L HN 0.743 nan 8.230 nan 0.000 0.421 78 T N 0.730 115.485 114.554 0.335 0.000 2.748 78 T HA 0.214 4.565 4.350 0.001 0.000 0.304 78 T C 0.213 174.996 174.700 0.139 0.000 1.041 78 T CA -0.693 61.594 62.100 0.311 0.000 1.033 78 T CB 0.259 69.259 68.868 0.220 0.000 0.995 78 T HN 0.565 nan 8.240 nan 0.000 0.536 79 D N 0.604 121.045 120.400 0.068 0.000 2.362 79 D HA 0.154 4.794 4.640 0.001 0.000 0.238 79 D C 0.441 176.771 176.300 0.049 0.000 1.212 79 D CA 0.070 54.089 54.000 0.031 0.000 0.902 79 D CB 0.345 41.148 40.800 0.006 0.000 1.180 79 D HN 0.465 nan 8.370 nan 0.000 0.445 80 R N 0.993 121.516 120.500 0.039 0.000 2.267 80 R HA 0.315 4.655 4.340 0.001 0.000 0.319 80 R C -0.277 176.061 176.300 0.063 0.000 1.067 80 R CA -0.461 55.667 56.100 0.047 0.000 0.936 80 R CB 0.702 31.018 30.300 0.027 0.000 1.006 80 R HN 0.275 nan 8.270 nan 0.000 0.452 81 I N 4.324 124.950 120.570 0.094 0.000 2.404 81 I HA 0.200 4.370 4.170 0.001 0.000 0.293 81 I C -0.100 176.109 176.117 0.153 0.000 0.992 81 I CA -1.208 60.153 61.300 0.102 0.000 1.149 81 I CB 1.272 39.322 38.000 0.084 0.000 1.315 81 I HN 0.444 nan 8.210 nan 0.000 0.446 82 L N 5.763 127.062 121.223 0.126 0.000 2.331 82 L HA 0.540 4.880 4.340 0.001 0.000 0.278 82 L C 0.497 177.422 176.870 0.092 0.000 1.106 82 L CA 0.056 54.986 54.840 0.149 0.000 0.824 82 L CB 0.948 43.097 42.059 0.150 0.000 1.142 82 L HN 0.745 nan 8.230 nan 0.000 0.443 83 A N 4.636 127.525 122.820 0.115 0.000 2.404 83 A HA 0.301 4.622 4.320 0.001 0.000 0.273 83 A C 0.684 178.019 177.584 -0.415 0.000 1.144 83 A CA -0.224 51.755 52.037 -0.096 0.000 0.806 83 A CB -0.110 18.866 19.000 -0.041 0.000 1.080 83 A HN 0.919 nan 8.150 nan 0.000 0.509 84 E N 1.706 121.617 120.200 -0.481 0.000 2.472 84 E HA 0.092 4.443 4.350 0.001 0.000 0.196 84 E C 0.608 176.741 176.600 -0.778 0.000 1.033 84 E CA 0.384 56.250 56.400 -0.891 0.000 0.886 84 E CB 0.466 29.936 29.700 -0.384 0.000 0.944 84 E HN 0.558 nan 8.360 nan 0.000 0.492 85 S N -0.285 115.130 115.700 -0.475 0.000 3.132 85 S HA 0.156 4.626 4.470 0.001 0.000 0.322 85 S C -0.945 173.486 174.600 -0.281 0.000 1.124 85 S CA -0.653 57.354 58.200 -0.321 0.000 0.906 85 S CB 0.868 63.965 63.200 -0.172 0.000 1.349 85 S HN -0.142 nan 8.310 nan 0.000 0.686 86 D N 1.555 121.846 120.400 -0.181 0.000 2.663 86 D HA 0.309 4.949 4.640 0.001 0.000 0.243 86 D C -0.216 175.987 176.300 -0.163 0.000 1.218 86 D CA 0.559 54.465 54.000 -0.158 0.000 0.846 86 D CB 0.081 40.822 40.800 -0.099 0.000 1.014 86 D HN 0.335 nan 8.370 nan 0.000 0.476 87 T N -1.559 112.877 114.554 -0.196 0.000 2.840 87 T HA 0.538 4.889 4.350 0.001 0.000 0.317 87 T C -1.941 172.640 174.700 -0.198 0.000 1.401 87 T CA -0.702 61.293 62.100 -0.174 0.000 1.028 87 T CB 1.721 70.529 68.868 -0.099 0.000 1.317 87 T HN -0.179 nan 8.240 nan 0.000 0.495 88 V N 2.672 122.480 119.914 -0.177 0.000 3.000 88 V HA 0.563 4.683 4.120 0.001 0.000 0.300 88 V C -1.895 174.173 176.094 -0.043 0.000 1.251 88 V CA -0.712 61.513 62.300 -0.126 0.000 0.972 88 V CB 2.371 34.084 31.823 -0.184 0.000 1.065 88 V HN 1.009 nan 8.190 nan 0.000 0.431 89 D N 5.985 126.389 120.400 0.006 0.000 2.256 89 D HA 0.525 5.165 4.640 0.001 0.000 0.240 89 D C -0.606 175.687 176.300 -0.013 0.000 1.062 89 D CA 0.079 54.099 54.000 0.033 0.000 0.832 89 D CB 2.197 43.064 40.800 0.113 0.000 1.135 89 D HN 0.477 nan 8.370 nan 0.000 0.484 90 I N 3.240 123.775 120.570 -0.058 0.000 2.382 90 I HA 0.216 4.386 4.170 0.001 0.000 0.285 90 I C -2.456 173.616 176.117 -0.076 0.000 1.007 90 I CA -2.155 59.117 61.300 -0.046 0.000 1.142 90 I CB 1.896 39.870 38.000 -0.044 0.000 1.289 90 I HN -0.101 nan 8.210 nan 0.000 0.453 91 P HA 0.184 nan 4.420 nan 0.000 0.271 91 P C 0.581 177.849 177.300 -0.053 0.000 1.220 91 P CA -0.162 62.911 63.100 -0.044 0.000 0.768 91 P CB 0.914 32.614 31.700 0.000 0.000 0.848 92 L N 1.909 123.041 121.223 -0.151 0.000 2.131 92 L HA 0.016 4.356 4.340 0.001 0.000 0.206 92 L C 1.735 178.628 176.870 0.037 0.000 1.087 92 L CA 1.374 56.021 54.840 -0.321 0.000 0.767 92 L CB -0.377 41.132 42.059 -0.916 0.000 0.917 92 L HN 0.399 nan 8.230 nan 0.000 0.441 93 M N -1.262 118.391 119.600 0.089 0.000 2.313 93 M HA 0.076 4.556 4.480 0.001 0.000 0.273 93 M C 1.541 177.990 176.300 0.249 0.000 1.049 93 M CA 0.422 55.889 55.300 0.278 0.000 1.004 93 M CB 0.291 32.990 32.600 0.165 0.000 1.461 93 M HN 0.165 nan 8.290 nan 0.000 0.514 94 E N 0.608 120.894 120.200 0.142 0.000 2.267 94 E HA -0.131 4.220 4.350 0.001 0.000 0.197 94 E C 1.467 178.092 176.600 0.041 0.000 0.998 94 E CA 1.521 57.971 56.400 0.084 0.000 0.830 94 E CB 0.194 29.922 29.700 0.046 0.000 0.751 94 E HN 0.419 nan 8.360 nan 0.000 0.491 95 S N -0.717 114.966 115.700 -0.029 0.000 2.554 95 S HA 0.172 4.642 4.470 0.001 0.000 0.226 95 S C 0.004 174.360 174.600 -0.406 0.000 0.980 95 S CA -0.605 57.446 58.200 -0.249 0.000 0.939 95 S CB 0.172 63.135 63.200 -0.395 0.000 0.832 95 S HN -0.051 nan 8.310 nan 0.000 0.486 96 F N 0.887 120.932 119.950 0.158 0.000 2.579 96 F HA 0.567 5.095 4.527 0.001 0.000 0.324 96 F C -0.296 175.678 175.800 0.291 0.000 1.058 96 F CA -1.883 56.239 58.000 0.204 0.000 0.944 96 F CB 0.881 40.008 39.000 0.211 0.000 1.245 96 F HN 0.044 nan 8.300 nan 0.000 0.477 97 F N 2.301 122.458 119.950 0.345 0.000 2.487 97 F HA 0.388 4.916 4.527 0.001 0.000 0.364 97 F C 0.999 176.946 175.800 0.246 0.000 1.126 97 F CA -1.306 56.850 58.000 0.260 0.000 1.135 97 F CB 0.445 39.604 39.000 0.265 0.000 1.127 97 F HN 0.565 nan 8.300 nan 0.000 0.559 98 A N 4.910 127.864 122.820 0.224 0.000 2.168 98 A HA -0.073 4.248 4.320 0.001 0.000 0.215 98 A C 1.871 179.363 177.584 -0.153 0.000 1.152 98 A CA 1.026 53.097 52.037 0.056 0.000 0.716 98 A CB -0.493 18.570 19.000 0.104 0.000 0.794 98 A HN 0.777 nan 8.150 nan 0.000 0.465 99 E N -0.798 119.059 120.200 -0.572 0.000 2.371 99 E HA -0.136 4.214 4.350 0.001 0.000 0.194 99 E C 1.838 178.308 176.600 -0.216 0.000 1.012 99 E CA 0.793 56.902 56.400 -0.484 0.000 0.860 99 E CB 0.022 29.316 29.700 -0.677 0.000 0.811 99 E HN 0.841 nan 8.360 nan 0.000 0.502 100 Q N 0.106 119.745 119.800 -0.269 0.000 2.394 100 Q HA 0.121 4.461 4.340 0.001 0.000 0.218 100 Q C 0.101 176.147 176.000 0.077 0.000 0.907 100 Q CA 0.262 56.090 55.803 0.040 0.000 0.919 100 Q CB 0.682 29.475 28.738 0.091 0.000 1.051 100 Q HN 0.090 nan 8.270 nan 0.000 0.538 101 L N 1.106 122.367 121.223 0.063 0.000 2.408 101 L HA 0.534 4.875 4.340 0.001 0.000 0.268 101 L C -1.004 175.922 176.870 0.094 0.000 0.986 101 L CA -0.707 54.174 54.840 0.067 0.000 0.820 101 L CB 2.313 44.385 42.059 0.022 0.000 1.303 101 L HN -0.168 nan 8.230 nan 0.000 0.411 102 K N 3.497 123.972 120.400 0.125 0.000 2.507 102 K HA 0.562 4.883 4.320 0.001 0.000 0.251 102 K C -2.800 173.918 176.600 0.198 0.000 0.943 102 K CA -1.649 54.736 56.287 0.163 0.000 0.794 102 K CB 2.661 35.271 32.500 0.183 0.000 1.188 102 K HN 0.104 nan 8.250 nan 0.000 0.428 103 P HA -0.010 nan 4.420 nan 0.000 0.268 103 P C -1.158 176.276 177.300 0.223 0.000 1.205 103 P CA -0.254 62.975 63.100 0.215 0.000 0.771 103 P CB 0.444 32.186 31.700 0.070 0.000 0.858 104 N N 2.905 121.688 118.700 0.139 0.000 2.402 104 N HA 0.062 4.803 4.740 0.001 0.000 0.252 104 N C 0.489 176.139 175.510 0.234 0.000 1.118 104 N CA 0.080 53.108 53.050 -0.035 0.000 0.945 104 N CB 0.025 38.190 38.487 -0.538 0.000 1.147 104 N HN 0.205 nan 8.380 nan 0.000 0.495 105 R N 1.861 122.492 120.500 0.219 0.000 2.317 105 R HA 0.115 4.456 4.340 0.001 0.000 0.208 105 R C 0.317 176.663 176.300 0.077 0.000 0.914 105 R CA 0.084 56.263 56.100 0.131 0.000 1.060 105 R CB 0.570 30.939 30.300 0.116 0.000 1.015 105 R HN 0.533 nan 8.270 nan 0.000 0.498 106 D N 1.471 121.940 120.400 0.115 0.000 2.137 106 D HA -0.032 4.608 4.640 0.001 0.000 0.202 106 D C 0.505 176.832 176.300 0.045 0.000 0.970 106 D CA 0.778 54.832 54.000 0.090 0.000 0.837 106 D CB 0.137 41.028 40.800 0.152 0.000 0.981 106 D HN 0.123 nan 8.370 nan 0.000 0.475 107 A N 1.661 124.484 122.820 0.004 0.000 2.310 107 A HA 0.087 4.407 4.320 0.001 0.000 0.300 107 A C -0.173 177.457 177.584 0.077 0.000 1.269 107 A CA -0.440 51.581 52.037 -0.026 0.000 0.909 107 A CB 0.380 19.185 19.000 -0.324 0.000 1.144 107 A HN -0.103 nan 8.150 nan 0.000 0.540 108 D N 4.094 124.590 120.400 0.160 0.000 3.941 108 D HA -0.070 4.570 4.640 0.001 0.000 0.225 108 D C -1.413 174.874 176.300 -0.022 0.000 1.298 108 D CA -0.575 53.474 54.000 0.082 0.000 0.835 108 D CB 0.536 41.408 40.800 0.120 0.000 1.205 108 D HN 0.231 nan 8.370 nan 0.000 0.644 109 P HA -0.137 nan 4.420 nan 0.000 0.218 109 P C 0.654 177.745 177.300 -0.348 0.000 1.148 109 P CA 1.231 63.775 63.100 -0.926 0.000 0.822 109 P CB 0.076 30.958 31.700 -1.365 0.000 0.784 110 H N -1.505 117.441 119.070 -0.206 0.000 2.495 110 H HA 0.006 4.563 4.556 0.001 0.000 0.287 110 H C 2.022 177.326 175.328 -0.040 0.000 1.033 110 H CA 1.087 57.024 56.048 -0.185 0.000 1.307 110 H CB -0.029 29.507 29.762 -0.376 0.000 1.401 110 H HN 0.098 nan 8.280 nan 0.000 0.555 111 K N -0.239 120.171 120.400 0.016 0.000 2.166 111 K HA -0.063 4.258 4.320 0.001 0.000 0.201 111 K C 0.664 177.154 176.600 -0.184 0.000 1.052 111 K CA 0.874 57.075 56.287 -0.143 0.000 0.969 111 K CB 0.260 32.560 32.500 -0.333 0.000 0.761 111 K HN 0.264 nan 8.250 nan 0.000 0.459 112 Y N -1.228 119.190 120.300 0.197 0.000 2.478 112 Y HA 0.121 4.671 4.550 0.001 0.000 0.261 112 Y C 0.220 176.517 175.900 0.660 0.000 1.127 112 Y CA -0.375 57.948 58.100 0.372 0.000 1.288 112 Y CB 0.442 39.103 38.460 0.335 0.000 1.084 112 Y HN 0.036 nan 8.280 nan 0.000 0.530 113 W N 0.519 122.040 121.300 0.370 0.000 2.703 113 W HA 0.608 5.268 4.660 0.001 0.000 0.359 113 W C -0.478 176.171 176.519 0.215 0.000 1.168 113 W CA -1.832 55.698 57.345 0.307 0.000 1.177 113 W CB 0.489 30.107 29.460 0.265 0.000 1.434 113 W HN -0.320 nan 8.180 nan 0.000 0.618 114 E N 0.360 120.738 120.200 0.297 0.000 2.290 114 E HA 0.417 4.767 4.350 0.001 0.000 0.274 114 E C -1.589 174.997 176.600 -0.025 0.000 0.889 114 E CA -0.687 55.807 56.400 0.157 0.000 0.760 114 E CB 2.946 32.682 29.700 0.059 0.000 1.206 114 E HN 0.013 nan 8.360 nan 0.000 0.419 115 V N 3.439 123.301 119.914 -0.087 0.000 2.394 115 V HA 0.369 4.490 4.120 0.001 0.000 0.282 115 V C -0.269 175.846 176.094 0.035 0.000 1.031 115 V CA -0.581 61.619 62.300 -0.166 0.000 0.881 115 V CB 1.538 33.119 31.823 -0.404 0.000 0.982 115 V HN 0.393 nan 8.190 nan 0.000 0.451 116 V N 3.459 123.405 119.914 0.053 0.000 2.604 116 V HA 0.389 4.509 4.120 0.001 0.000 0.305 116 V C -0.375 175.756 176.094 0.062 0.000 1.043 116 V CA -0.710 61.625 62.300 0.059 0.000 0.888 116 V CB 2.164 33.983 31.823 -0.007 0.000 0.995 116 V HN 0.890 nan 8.190 nan 0.000 0.429 117 D N 4.082 124.494 120.400 0.020 0.000 2.393 117 D HA 0.180 4.821 4.640 0.001 0.000 0.232 117 D C 1.147 177.317 176.300 -0.217 0.000 1.192 117 D CA -0.308 53.536 54.000 -0.261 0.000 0.882 117 D CB 0.840 41.613 40.800 -0.045 0.000 1.038 117 D HN 0.310 nan 8.370 nan 0.000 0.499 118 R N 2.139 122.480 120.500 -0.266 0.000 2.189 118 R HA -0.032 4.308 4.340 0.001 0.000 0.218 118 R C 1.539 177.733 176.300 -0.177 0.000 1.074 118 R CA 0.637 56.638 56.100 -0.165 0.000 0.991 118 R CB -0.463 29.762 30.300 -0.125 0.000 0.883 118 R HN 0.436 nan 8.270 nan 0.000 0.457 119 T N 0.212 114.609 114.554 -0.261 0.000 2.867 119 T HA -0.091 4.259 4.350 0.001 0.000 0.268 119 T C 1.787 176.332 174.700 -0.258 0.000 1.057 119 T CA 1.930 63.846 62.100 -0.308 0.000 1.136 119 T CB -0.054 68.474 68.868 -0.566 0.000 0.874 119 T HN 0.479 nan 8.240 nan 0.000 0.466 120 T N -2.125 112.316 114.554 -0.187 0.000 2.990 120 T HA 0.450 4.801 4.350 0.001 0.000 0.250 120 T C 1.869 176.539 174.700 -0.049 0.000 1.041 120 T CA 0.820 62.868 62.100 -0.087 0.000 1.010 120 T CB 0.208 69.077 68.868 0.001 0.000 1.003 120 T HN 0.451 nan 8.240 nan 0.000 0.499 121 G N 1.411 110.175 108.800 -0.059 0.000 2.179 121 G HA2 -0.217 3.743 3.960 0.001 0.000 0.260 121 G HA3 -0.217 3.743 3.960 0.001 0.000 0.260 121 G C -0.130 174.764 174.900 -0.011 0.000 0.977 121 G CA 0.108 45.185 45.100 -0.039 0.000 0.641 121 G HN 0.591 nan 8.290 nan 0.000 0.533 122 E N 0.275 120.483 120.200 0.013 0.000 2.331 122 E HA 0.440 4.791 4.350 0.001 0.000 0.272 122 E C 0.665 177.306 176.600 0.068 0.000 1.036 122 E CA -0.481 55.947 56.400 0.047 0.000 0.864 122 E CB 1.747 31.491 29.700 0.073 0.000 1.035 122 E HN 0.157 nan 8.360 nan 0.000 0.408 123 V N 3.297 123.255 119.914 0.074 0.000 2.508 123 V HA 0.012 4.132 4.120 0.001 0.000 0.281 123 V C 0.452 176.637 176.094 0.152 0.000 1.041 123 V CA -0.383 61.980 62.300 0.104 0.000 1.016 123 V CB 1.146 33.026 31.823 0.095 0.000 0.984 123 V HN 0.353 nan 8.190 nan 0.000 0.478 124 V N 5.004 125.038 119.914 0.200 0.000 2.555 124 V HA 0.119 4.240 4.120 0.001 0.000 0.286 124 V C 0.334 176.604 176.094 0.294 0.000 1.044 124 V CA -0.640 61.807 62.300 0.245 0.000 1.026 124 V CB 0.966 32.954 31.823 0.275 0.000 0.981 124 V HN 0.834 nan 8.190 nan 0.000 0.480 125 D N 3.148 123.680 120.400 0.221 0.000 2.488 125 D HA -0.015 4.625 4.640 0.001 0.000 0.238 125 D C 1.423 177.853 176.300 0.217 0.000 1.138 125 D CA 0.630 54.737 54.000 0.179 0.000 0.873 125 D CB 1.107 41.964 40.800 0.095 0.000 1.183 125 D HN 0.759 nan 8.370 nan 0.000 0.458 126 S N 1.625 117.413 115.700 0.147 0.000 2.442 126 S HA -0.171 4.299 4.470 0.001 0.000 0.236 126 S C 1.799 176.214 174.600 -0.307 0.000 1.007 126 S CA 0.709 58.846 58.200 -0.106 0.000 0.965 126 S CB -0.126 63.078 63.200 0.008 0.000 0.773 126 S HN 0.509 nan 8.310 nan 0.000 0.504 127 A N 2.033 124.761 122.820 -0.154 0.000 2.125 127 A HA -0.003 4.318 4.320 0.001 0.000 0.219 127 A C 1.854 179.386 177.584 -0.086 0.000 1.156 127 A CA 1.350 53.290 52.037 -0.160 0.000 0.671 127 A CB -0.810 18.135 19.000 -0.091 0.000 0.794 127 A HN 0.748 nan 8.150 nan 0.000 0.459 128 N N -1.008 117.700 118.700 0.013 0.000 2.280 128 N HA 0.123 4.863 4.740 0.001 0.000 0.192 128 N C -0.070 175.577 175.510 0.229 0.000 1.109 128 N CA -0.018 53.097 53.050 0.108 0.000 0.855 128 N CB 0.239 38.815 38.487 0.149 0.000 0.974 128 N HN 0.827 nan 8.380 nan 0.000 0.482 129 W N 0.431 121.802 121.300 0.118 0.000 3.031 129 W HA 0.550 5.211 4.660 0.001 0.000 0.337 129 W C -1.171 175.488 176.519 0.233 0.000 1.187 129 W CA -0.912 56.517 57.345 0.140 0.000 1.166 129 W CB 0.455 29.980 29.460 0.110 0.000 1.437 129 W HN -0.261 nan 8.180 nan 0.000 0.551 130 T N 0.311 115.172 114.554 0.511 0.000 2.912 130 T HA 0.514 4.864 4.350 0.001 0.000 0.299 130 T C -1.448 173.501 174.700 0.415 0.000 1.052 130 T CA -0.768 61.550 62.100 0.364 0.000 0.996 130 T CB 2.208 71.214 68.868 0.230 0.000 1.070 130 T HN 0.564 nan 8.240 nan 0.000 0.465 131 L N 2.709 124.114 121.223 0.302 0.000 2.290 131 L HA 0.422 4.763 4.340 0.001 0.000 0.284 131 L C 0.281 177.241 176.870 0.150 0.000 1.078 131 L CA -0.083 54.876 54.840 0.198 0.000 0.815 131 L CB 0.539 42.661 42.059 0.104 0.000 1.162 131 L HN 0.839 nan 8.230 nan 0.000 0.435 132 D N 3.556 124.020 120.400 0.106 0.000 2.455 132 D HA 0.007 4.647 4.640 0.001 0.000 0.241 132 D C 0.732 177.097 176.300 0.107 0.000 1.138 132 D CA 0.664 54.764 54.000 0.167 0.000 0.877 132 D CB 1.787 42.686 40.800 0.164 0.000 1.187 132 D HN 0.832 nan 8.370 nan 0.000 0.451 133 A N 3.936 126.815 122.820 0.099 0.000 2.014 133 A HA -0.132 4.189 4.320 0.001 0.000 0.218 133 A C 1.411 179.029 177.584 0.057 0.000 1.163 133 A CA 1.104 53.179 52.037 0.064 0.000 0.652 133 A CB 0.200 19.230 19.000 0.050 0.000 0.808 133 A HN 0.596 nan 8.150 nan 0.000 0.449 134 D N -0.850 119.589 120.400 0.064 0.000 2.441 134 D HA 0.107 4.748 4.640 0.001 0.000 0.210 134 D C 0.351 176.681 176.300 0.050 0.000 1.102 134 D CA 0.503 54.534 54.000 0.051 0.000 0.840 134 D CB 0.426 41.256 40.800 0.049 0.000 0.990 134 D HN 0.856 nan 8.370 nan 0.000 0.505 135 E N -0.121 120.112 120.200 0.054 0.000 2.433 135 E HA 0.268 4.618 4.350 0.001 0.000 0.278 135 E C -1.359 175.251 176.600 0.017 0.000 0.976 135 E CA -0.762 55.661 56.400 0.038 0.000 0.793 135 E CB 1.277 31.004 29.700 0.044 0.000 1.311 135 E HN -0.377 nan 8.360 nan 0.000 0.460 136 D N 1.844 122.241 120.400 -0.004 0.000 2.688 136 D HA 0.217 4.857 4.640 0.001 0.000 0.228 136 D C -0.901 175.340 176.300 -0.098 0.000 1.116 136 D CA 0.259 54.230 54.000 -0.048 0.000 1.023 136 D CB 0.380 41.139 40.800 -0.068 0.000 1.100 136 D HN 0.289 nan 8.370 nan 0.000 0.487 137 T N -0.270 114.218 114.554 -0.110 0.000 2.916 137 T HA 0.325 4.675 4.350 0.001 0.000 0.298 137 T C -0.065 174.457 174.700 -0.297 0.000 1.031 137 T CA -0.570 61.408 62.100 -0.203 0.000 0.993 137 T CB 2.460 71.194 68.868 -0.223 0.000 1.045 137 T HN -0.176 nan 8.240 nan 0.000 0.454 138 V N 4.319 124.080 119.914 -0.255 0.000 2.394 138 V HA 0.355 4.475 4.120 0.001 0.000 0.282 138 V C -0.323 175.632 176.094 -0.232 0.000 1.031 138 V CA -0.795 61.403 62.300 -0.169 0.000 0.881 138 V CB 0.923 32.676 31.823 -0.116 0.000 0.982 138 V HN 0.817 nan 8.190 nan 0.000 0.451 139 H N 3.751 122.900 119.070 0.132 0.000 2.488 139 H HA 0.560 5.116 4.556 0.001 0.000 0.322 139 H C -0.637 174.767 175.328 0.128 0.000 1.078 139 H CA -0.366 55.736 56.048 0.090 0.000 1.260 139 H CB 1.833 31.643 29.762 0.080 0.000 1.425 139 H HN 0.377 nan 8.280 nan 0.000 0.471 140 V N 3.092 123.093 119.914 0.145 0.000 2.540 140 V HA 0.394 4.515 4.120 0.001 0.000 0.302 140 V C 0.225 176.323 176.094 0.006 0.000 1.035 140 V CA -0.735 61.617 62.300 0.088 0.000 0.873 140 V CB 1.669 33.447 31.823 -0.075 0.000 0.992 140 V HN 0.924 nan 8.190 nan 0.000 0.428 141 S N 1.701 117.416 115.700 0.026 0.000 2.704 141 S HA 0.841 5.312 4.470 0.001 0.000 0.296 141 S C 0.670 175.256 174.600 -0.023 0.000 1.138 141 S CA -0.136 58.051 58.200 -0.022 0.000 0.875 141 S CB 1.680 64.879 63.200 -0.001 0.000 1.151 141 S HN 2.345 nan 8.310 nan 0.000 0.500 142 G N -0.526 108.253 108.800 -0.034 0.000 2.198 142 G HA2 -0.140 3.821 3.960 0.001 0.000 0.260 142 G HA3 -0.140 3.821 3.960 0.001 0.000 0.260 142 G C 0.078 174.968 174.900 -0.017 0.000 1.025 142 G CA 0.420 45.511 45.100 -0.016 0.000 0.769 142 G HN 1.878 nan 8.290 nan 0.000 0.507 143 V N -3.630 116.244 119.914 -0.067 0.000 3.103 143 V HA 0.980 5.101 4.120 0.001 0.000 0.318 143 V C 0.609 176.659 176.094 -0.074 0.000 1.114 143 V CA -0.854 61.415 62.300 -0.051 0.000 1.020 143 V CB 1.673 33.386 31.823 -0.184 0.000 1.085 143 V HN 1.696 nan 8.190 nan 0.000 0.446 144 A N 1.262 124.049 122.820 -0.055 0.000 2.409 144 A HA 0.780 5.100 4.320 0.001 0.000 0.262 144 A C 0.687 178.121 177.584 -0.251 0.000 1.113 144 A CA 0.157 52.043 52.037 -0.252 0.000 0.790 144 A CB -0.102 18.510 19.000 -0.647 0.000 1.046 144 A HN 2.147 nan 8.150 nan 0.000 0.496 145 A N 1.652 124.333 122.820 -0.232 0.000 2.483 145 A HA 0.411 4.732 4.320 0.001 0.000 0.238 145 A C 0.229 177.706 177.584 -0.179 0.000 1.070 145 A CA 0.700 52.507 52.037 -0.382 0.000 0.770 145 A CB -0.840 17.841 19.000 -0.532 0.000 1.008 145 A HN 1.653 nan 8.150 nan 0.000 0.497 146 W N -1.561 119.825 121.300 0.142 0.000 2.829 146 W HA -0.197 4.464 4.660 0.001 0.000 0.293 146 W C 0.396 177.109 176.519 0.323 0.000 1.133 146 W CA 0.863 58.322 57.345 0.191 0.000 0.572 146 W CB -2.340 27.209 29.460 0.149 0.000 2.175 146 W HN 0.884 nan 8.180 nan 0.000 1.311 147 H N -0.025 119.165 119.070 0.201 0.000 2.544 147 H HA 0.494 5.050 4.556 0.001 0.000 0.342 147 H C 0.269 175.566 175.328 -0.051 0.000 1.185 147 H CA -1.034 55.024 56.048 0.015 0.000 1.264 147 H CB 1.215 30.882 29.762 -0.158 0.000 1.607 147 H HN -0.074 nan 8.280 nan 0.000 0.550 148 E N 1.068 121.194 120.200 -0.122 0.000 2.204 148 E HA 0.259 4.610 4.350 0.001 0.000 0.276 148 E C -1.312 175.075 176.600 -0.354 0.000 0.974 148 E CA -0.472 55.876 56.400 -0.086 0.000 0.815 148 E CB 1.574 31.249 29.700 -0.042 0.000 1.119 148 E HN 0.372 nan 8.360 nan 0.000 0.393 149 Y N 0.122 120.446 120.300 0.039 0.000 2.499 149 Y HA 0.407 4.958 4.550 0.001 0.000 0.347 149 Y C 0.288 176.186 175.900 -0.002 0.000 0.987 149 Y CA -0.721 57.390 58.100 0.017 0.000 1.044 149 Y CB 2.376 40.841 38.460 0.007 0.000 1.245 149 Y HN 0.460 nan 8.280 nan 0.000 0.461 150 T N -1.442 113.185 114.554 0.120 0.000 2.896 150 T HA 0.804 5.155 4.350 0.001 0.000 0.297 150 T C -1.430 173.278 174.700 0.014 0.000 1.108 150 T CA -0.889 61.247 62.100 0.060 0.000 1.004 150 T CB 1.401 70.286 68.868 0.028 0.000 1.159 150 T HN 0.333 nan 8.240 nan 0.000 0.499 151 V N 1.602 121.519 119.914 0.004 0.000 2.513 151 V HA 0.622 4.742 4.120 0.001 0.000 0.299 151 V C -0.055 176.056 176.094 0.029 0.000 1.035 151 V CA -0.811 61.461 62.300 -0.047 0.000 0.889 151 V CB 1.891 33.651 31.823 -0.106 0.000 0.988 151 V HN 1.075 nan 8.190 nan 0.000 0.440 152 S N 5.296 120.973 115.700 -0.039 0.000 2.448 152 S HA 0.733 5.204 4.470 0.001 0.000 0.320 152 S C -0.622 173.904 174.600 -0.122 0.000 1.071 152 S CA -0.451 57.693 58.200 -0.093 0.000 1.113 152 S CB 0.310 63.414 63.200 -0.159 0.000 0.972 152 S HN 0.614 nan 8.310 nan 0.000 0.465 153 F N 0.808 120.474 119.950 -0.475 0.000 2.577 153 F HA 0.713 5.240 4.527 0.001 0.000 0.318 153 F C -0.904 174.430 175.800 -0.777 0.000 1.065 153 F CA -1.564 55.687 58.000 -1.248 0.000 0.929 153 F CB 0.726 38.537 39.000 -1.981 0.000 1.237 153 F HN 0.221 nan 8.300 nan 0.000 0.468 154 L N 3.009 123.816 121.223 -0.694 0.000 2.367 154 L HA 0.613 4.954 4.340 0.001 0.000 0.275 154 L C 0.092 176.733 176.870 -0.382 0.000 1.129 154 L CA -0.493 53.995 54.840 -0.588 0.000 0.839 154 L CB 1.076 42.895 42.059 -0.399 0.000 1.133 154 L HN 0.965 nan 8.230 nan 0.000 0.453 155 A N 3.708 126.240 122.820 -0.479 0.000 2.386 155 A HA 0.631 4.951 4.320 0.001 0.000 0.311 155 A C -1.357 176.071 177.584 -0.260 0.000 1.068 155 A CA -0.514 51.352 52.037 -0.285 0.000 0.743 155 A CB 0.813 19.633 19.000 -0.300 0.000 1.258 155 A HN 0.498 nan 8.150 nan 0.000 0.429 156 Y N 1.117 121.395 120.300 -0.036 0.000 2.359 156 Y HA 0.364 4.915 4.550 0.001 0.000 0.330 156 Y C 0.509 176.402 175.900 -0.011 0.000 1.143 156 Y CA 0.058 58.148 58.100 -0.017 0.000 1.318 156 Y CB 0.680 39.147 38.460 0.012 0.000 1.234 156 Y HN 0.446 nan 8.280 nan 0.000 0.522 157 I N 5.650 126.328 120.570 0.179 0.000 2.301 157 I HA 0.122 4.292 4.170 0.001 0.000 0.292 157 I C 0.945 177.153 176.117 0.152 0.000 1.046 157 I CA 0.074 61.448 61.300 0.125 0.000 1.282 157 I CB 0.428 38.483 38.000 0.090 0.000 1.409 157 I HN 0.658 nan 8.210 nan 0.000 0.484 158 I N 2.851 123.507 120.570 0.142 0.000 3.956 158 I HA 0.286 4.457 4.170 0.001 0.000 0.333 158 I C -0.242 175.984 176.117 0.182 0.000 1.302 158 I CA 0.037 61.408 61.300 0.118 0.000 1.122 158 I CB 0.367 38.400 38.000 0.055 0.000 1.013 158 I HN 0.451 nan 8.210 nan 0.000 0.405 159 W N 3.110 124.395 121.300 -0.026 0.000 2.884 159 W HA 0.369 5.030 4.660 0.001 0.000 0.336 159 W C -0.997 175.486 176.519 -0.060 0.000 1.038 159 W CA -1.876 55.438 57.345 -0.051 0.000 1.247 159 W CB 1.152 30.530 29.460 -0.137 0.000 1.351 159 W HN 0.026 nan 8.180 nan 0.000 0.446 160 D N 6.882 127.453 120.400 0.286 0.000 2.581 160 D HA -0.020 4.620 4.640 0.001 0.000 0.238 160 D C -1.394 174.817 176.300 -0.148 0.000 1.145 160 D CA 0.015 54.043 54.000 0.046 0.000 0.866 160 D CB 1.615 42.434 40.800 0.030 0.000 1.151 160 D HN 0.029 nan 8.370 nan 0.000 0.500 161 P HA -0.185 nan 4.420 nan 0.000 0.215 161 P C 1.355 178.474 177.300 -0.303 0.000 1.153 161 P CA 0.593 63.522 63.100 -0.284 0.000 0.853 161 P CB 0.219 31.784 31.700 -0.225 0.000 0.788 162 V N -0.025 119.757 119.914 -0.220 0.000 2.323 162 V HA -0.177 3.944 4.120 0.001 0.000 0.244 162 V C 2.497 178.541 176.094 -0.083 0.000 1.041 162 V CA 1.604 63.822 62.300 -0.136 0.000 1.025 162 V CB -1.050 30.700 31.823 -0.121 0.000 0.656 162 V HN 0.158 nan 8.190 nan 0.000 0.451 163 E N 0.079 120.218 120.200 -0.101 0.000 2.118 163 E HA -0.282 4.069 4.350 0.001 0.000 0.195 163 E C 2.191 178.756 176.600 -0.059 0.000 0.992 163 E CA 1.999 58.410 56.400 0.018 0.000 0.804 163 E CB -0.167 29.598 29.700 0.107 0.000 0.741 163 E HN 0.593 nan 8.360 nan 0.000 0.458 164 M N -0.352 118.946 119.600 -0.503 0.000 2.086 164 M HA -0.236 4.245 4.480 0.001 0.000 0.261 164 M C 2.342 178.205 176.300 -0.729 0.000 1.067 164 M CA 1.752 56.326 55.300 -1.210 0.000 1.116 164 M CB -0.500 30.840 32.600 -2.100 0.000 1.348 164 M HN 0.145 nan 8.290 nan 0.000 0.407 165 Y N 1.505 121.426 120.300 -0.632 0.000 2.114 165 Y HA -0.309 4.241 4.550 0.001 0.000 0.282 165 Y C 1.714 177.429 175.900 -0.309 0.000 1.165 165 Y CA 2.593 60.446 58.100 -0.411 0.000 1.148 165 Y CB -0.799 37.535 38.460 -0.210 0.000 0.972 165 Y HN 0.478 nan 8.280 nan 0.000 0.504 166 N N -1.308 117.254 118.700 -0.229 0.000 2.069 166 N HA -0.288 4.452 4.740 0.001 0.000 0.191 166 N C 1.763 176.621 175.510 -1.087 0.000 1.031 166 N CA 1.270 54.032 53.050 -0.480 0.000 0.852 166 N CB -0.467 37.954 38.487 -0.110 0.000 1.018 166 N HN 0.539 nan 8.380 nan 0.000 0.423 167 H N 1.011 119.598 119.070 -0.806 0.000 2.293 167 H HA -0.016 4.541 4.556 0.001 0.000 0.300 167 H C 2.105 177.105 175.328 -0.546 0.000 1.082 167 H CA 1.392 57.102 56.048 -0.564 0.000 1.308 167 H CB -0.036 29.857 29.762 0.218 0.000 1.375 167 H HN 0.092 nan 8.280 nan 0.000 0.495 168 L N -0.468 120.610 121.223 -0.242 0.000 2.083 168 L HA -0.163 4.177 4.340 0.001 0.000 0.209 168 L C 2.511 179.146 176.870 -0.392 0.000 1.083 168 L CA 1.607 56.310 54.840 -0.229 0.000 0.752 168 L CB -0.492 41.400 42.059 -0.278 0.000 0.899 168 L HN 0.389 nan 8.230 nan 0.000 0.433 169 T N -0.714 113.452 114.554 -0.646 0.000 2.821 169 T HA -0.115 4.235 4.350 0.001 0.000 0.267 169 T C 1.382 175.733 174.700 -0.583 0.000 1.046 169 T CA 1.417 63.141 62.100 -0.628 0.000 1.139 169 T CB -0.238 68.143 68.868 -0.813 0.000 0.871 169 T HN 0.344 nan 8.240 nan 0.000 0.454 170 N N 0.513 118.711 118.700 -0.836 0.000 2.336 170 N HA 0.124 4.865 4.740 0.001 0.000 0.189 170 N C -0.366 174.847 175.510 -0.495 0.000 1.113 170 N CA -0.028 52.561 53.050 -0.768 0.000 0.858 170 N CB 0.200 37.940 38.487 -1.245 0.000 0.970 170 N HN 0.141 nan 8.380 nan 0.000 0.471 171 D N -0.765 119.405 120.400 -0.382 0.000 2.735 171 D HA -0.191 4.449 4.640 0.001 0.000 0.235 171 D C -0.414 175.840 176.300 -0.075 0.000 1.175 171 D CA 0.261 54.167 54.000 -0.157 0.000 0.683 171 D CB -0.545 40.206 40.800 -0.081 0.000 1.008 171 D HN 0.372 nan 8.370 nan 0.000 0.416 172 W N 0.915 121.990 121.300 -0.376 0.000 3.077 172 W HA 0.292 4.953 4.660 0.001 0.000 0.245 172 W C 1.993 178.324 176.519 -0.314 0.000 1.316 172 W CA 0.649 57.708 57.345 -0.477 0.000 1.537 172 W CB -1.007 28.024 29.460 -0.716 0.000 1.131 172 W HN 0.499 nan 8.180 nan 0.000 0.695 173 G N 1.818 110.687 108.800 0.115 0.000 2.634 173 G HA2 -0.398 3.562 3.960 0.001 0.000 0.318 173 G HA3 -0.398 3.562 3.960 0.001 0.000 0.318 173 G C 0.806 175.928 174.900 0.371 0.000 1.207 173 G CA 1.173 46.420 45.100 0.244 0.000 0.987 173 G HN 0.214 nan 8.290 nan 0.000 0.547 174 D N 1.721 122.252 120.400 0.218 0.000 2.340 174 D HA 0.100 4.740 4.640 0.001 0.000 0.220 174 D C 1.293 177.694 176.300 0.168 0.000 1.039 174 D CA 0.397 54.501 54.000 0.174 0.000 0.866 174 D CB 0.096 40.941 40.800 0.074 0.000 0.913 174 D HN 0.554 nan 8.370 nan 0.000 0.523 175 K N 2.028 122.563 120.400 0.226 0.000 2.524 175 K HA -0.095 4.225 4.320 0.001 0.000 0.279 175 K C 0.345 177.097 176.600 0.253 0.000 0.993 175 K CA 0.034 56.422 56.287 0.168 0.000 1.030 175 K CB 0.648 33.196 32.500 0.080 0.000 0.891 175 K HN -0.032 nan 8.250 nan 0.000 0.488 176 E N 3.288 123.536 120.200 0.080 0.000 2.452 176 E HA -0.078 4.272 4.350 0.001 0.000 0.261 176 E C -0.780 175.871 176.600 0.084 0.000 0.987 176 E CA 0.136 56.524 56.400 -0.020 0.000 0.926 176 E CB 0.370 30.041 29.700 -0.048 0.000 0.934 176 E HN 0.541 nan 8.360 nan 0.000 0.452 177 H N 3.472 122.361 119.070 -0.300 0.000 2.722 177 H HA 0.100 4.657 4.556 0.001 0.000 0.328 177 H C -0.272 174.905 175.328 -0.251 0.000 1.067 177 H CA -0.582 55.117 56.048 -0.582 0.000 1.447 177 H CB 0.687 29.486 29.762 -1.605 0.000 1.469 177 H HN 0.445 nan 8.280 nan 0.000 0.544 178 E N 3.745 124.042 120.200 0.162 0.000 2.259 178 E HA 0.139 4.489 4.350 0.001 0.000 0.281 178 E C -0.169 176.552 176.600 0.202 0.000 1.037 178 E CA -0.270 56.234 56.400 0.172 0.000 0.854 178 E CB 1.352 31.157 29.700 0.176 0.000 1.051 178 E HN 0.410 nan 8.360 nan 0.000 0.409 179 I N 5.938 126.605 120.570 0.162 0.000 2.342 179 I HA 0.183 4.353 4.170 0.001 0.000 0.291 179 I C -1.913 174.336 176.117 0.221 0.000 1.010 179 I CA -2.051 59.355 61.300 0.178 0.000 1.308 179 I CB 0.776 38.859 38.000 0.139 0.000 1.400 179 I HN 0.243 nan 8.210 nan 0.000 0.488 180 P HA 0.372 nan 4.420 nan 0.000 0.278 180 P C -1.233 176.164 177.300 0.161 0.000 1.258 180 P CA -0.212 62.886 63.100 -0.004 0.000 0.811 180 P CB 0.899 32.607 31.700 0.013 0.000 1.063 181 F N -1.781 118.298 119.950 0.215 0.000 2.613 181 F HA 0.657 5.184 4.527 0.001 0.000 0.314 181 F C -0.692 175.263 175.800 0.258 0.000 1.075 181 F CA -1.218 56.939 58.000 0.261 0.000 0.945 181 F CB 1.153 40.361 39.000 0.346 0.000 1.310 181 F HN 0.058 nan 8.300 nan 0.000 0.467 182 D N 1.776 122.490 120.400 0.524 0.000 2.425 182 D HA 0.300 4.941 4.640 0.001 0.000 0.240 182 D C 0.523 177.057 176.300 0.391 0.000 1.080 182 D CA -0.640 53.591 54.000 0.385 0.000 0.836 182 D CB 1.454 42.510 40.800 0.428 0.000 1.125 182 D HN 0.698 nan 8.370 nan 0.000 0.525 183 I N 1.604 122.334 120.570 0.267 0.000 3.334 183 I HA 0.004 4.175 4.170 0.001 0.000 0.282 183 I C 1.293 177.577 176.117 0.278 0.000 1.313 183 I CA 0.134 61.572 61.300 0.231 0.000 1.396 183 I CB -0.393 37.606 38.000 -0.002 0.000 1.054 183 I HN 0.278 nan 8.210 nan 0.000 0.495 184 Y N 2.081 122.399 120.300 0.030 0.000 2.256 184 Y HA -0.141 4.410 4.550 0.001 0.000 0.288 184 Y C 1.394 177.148 175.900 -0.243 0.000 1.155 184 Y CA 1.150 59.048 58.100 -0.335 0.000 1.203 184 Y CB -0.179 37.969 38.460 -0.519 0.000 0.980 184 Y HN 0.302 nan 8.280 nan 0.000 0.530 185 H N 1.624 120.822 119.070 0.214 0.000 2.690 185 H HA 0.091 4.647 4.556 0.001 0.000 0.314 185 H C -1.490 173.914 175.328 0.126 0.000 1.069 185 H CA -2.033 54.115 56.048 0.166 0.000 1.436 185 H CB 0.707 30.602 29.762 0.222 0.000 1.462 185 H HN 0.175 nan 8.280 nan 0.000 0.511 186 P HA -0.144 nan 4.420 nan 0.000 0.218 186 P C 1.257 178.650 177.300 0.154 0.000 1.149 186 P CA 1.302 64.476 63.100 0.124 0.000 0.817 186 P CB 0.237 31.987 31.700 0.083 0.000 0.785 187 A N 0.086 123.023 122.820 0.196 0.000 1.858 187 A HA -0.144 4.176 4.320 0.001 0.000 0.216 187 A C 2.413 180.149 177.584 0.253 0.000 1.190 187 A CA 2.512 54.681 52.037 0.220 0.000 0.617 187 A CB -1.927 17.181 19.000 0.181 0.000 0.827 187 A HN 0.168 nan 8.150 nan 0.000 0.443 188 T N -0.874 113.900 114.554 0.367 0.000 2.746 188 T HA -0.147 4.204 4.350 0.001 0.000 0.267 188 T C 2.066 176.832 174.700 0.110 0.000 1.039 188 T CA 1.582 63.852 62.100 0.284 0.000 1.142 188 T CB -0.231 68.949 68.868 0.521 0.000 0.866 188 T HN 0.542 nan 8.240 nan 0.000 0.444 189 R N 0.954 121.554 120.500 0.166 0.000 2.083 189 R HA -0.139 4.201 4.340 0.001 0.000 0.237 189 R C 2.412 178.811 176.300 0.164 0.000 1.137 189 R CA 1.787 57.978 56.100 0.151 0.000 0.951 189 R CB -0.131 30.278 30.300 0.181 0.000 0.851 189 R HN 0.163 nan 8.270 nan 0.000 0.434 190 K N -0.070 120.391 120.400 0.102 0.000 2.057 190 K HA -0.184 4.137 4.320 0.001 0.000 0.207 190 K C 1.778 178.341 176.600 -0.062 0.000 1.049 190 K CA 1.728 58.053 56.287 0.064 0.000 0.931 190 K CB -0.585 31.939 32.500 0.041 0.000 0.714 190 K HN 0.213 nan 8.250 nan 0.000 0.440 191 F N 0.397 120.087 119.950 -0.433 0.000 2.095 191 F HA -0.206 4.321 4.527 0.001 0.000 0.298 191 F C 1.718 177.252 175.800 -0.444 0.000 1.104 191 F CA 1.677 59.239 58.000 -0.730 0.000 1.232 191 F CB -0.485 37.415 39.000 -1.833 0.000 0.987 191 F HN -0.116 nan 8.300 nan 0.000 0.475 192 V N -0.025 119.684 119.914 -0.342 0.000 2.295 192 V HA -0.313 3.808 4.120 0.001 0.000 0.246 192 V C 2.280 178.190 176.094 -0.306 0.000 1.049 192 V CA 2.189 64.313 62.300 -0.294 0.000 1.024 192 V CB -0.895 30.857 31.823 -0.118 0.000 0.648 192 V HN 0.306 nan 8.190 nan 0.000 0.447 193 F N 0.384 120.291 119.950 -0.073 0.000 2.146 193 F HA -0.110 4.418 4.527 0.001 0.000 0.298 193 F C 2.287 178.071 175.800 -0.026 0.000 1.096 193 F CA 1.560 59.562 58.000 0.003 0.000 1.275 193 F CB -0.650 38.340 39.000 -0.018 0.000 1.008 193 F HN 0.192 nan 8.300 nan 0.000 0.480 194 D N -0.501 119.908 120.400 0.015 0.000 2.117 194 D HA -0.139 4.502 4.640 0.001 0.000 0.197 194 D C 2.291 178.513 176.300 -0.130 0.000 0.987 194 D CA 1.851 55.810 54.000 -0.068 0.000 0.829 194 D CB -0.744 39.977 40.800 -0.132 0.000 0.961 194 D HN 0.172 nan 8.370 nan 0.000 0.460 195 T N 0.349 114.703 114.554 -0.333 0.000 2.821 195 T HA -0.131 4.219 4.350 0.001 0.000 0.267 195 T C 1.652 176.394 174.700 0.069 0.000 1.046 195 T CA 0.494 62.410 62.100 -0.307 0.000 1.139 195 T CB -0.348 68.041 68.868 -0.798 0.000 0.871 195 T HN 0.076 nan 8.240 nan 0.000 0.454 196 F N 2.070 121.995 119.950 -0.042 0.000 2.146 196 F HA -0.006 4.521 4.527 0.001 0.000 0.298 196 F C 2.363 178.227 175.800 0.107 0.000 1.096 196 F CA 1.246 59.262 58.000 0.027 0.000 1.275 196 F CB -0.449 38.507 39.000 -0.075 0.000 1.008 196 F HN 0.202 nan 8.300 nan 0.000 0.480 197 E N -0.306 119.908 120.200 0.023 0.000 2.070 197 E HA -0.359 3.991 4.350 0.001 0.000 0.197 197 E C 2.212 178.766 176.600 -0.077 0.000 1.004 197 E CA 1.700 58.059 56.400 -0.068 0.000 0.805 197 E CB -0.295 29.410 29.700 0.009 0.000 0.744 197 E HN 0.453 nan 8.360 nan 0.000 0.451 198 Q N -0.145 119.649 119.800 -0.010 0.000 2.079 198 Q HA -0.159 4.181 4.340 0.001 0.000 0.200 198 Q C 1.636 177.658 176.000 0.036 0.000 0.974 198 Q CA 1.972 57.779 55.803 0.006 0.000 0.840 198 Q CB -0.678 28.074 28.738 0.024 0.000 0.898 198 Q HN 0.546 nan 8.270 nan 0.000 0.430 199 W N 0.164 121.415 121.300 -0.082 0.000 2.338 199 W HA -0.171 4.489 4.660 0.001 0.000 0.304 199 W C 1.352 177.772 176.519 -0.164 0.000 1.212 199 W CA 1.576 58.897 57.345 -0.041 0.000 1.264 199 W CB -0.217 29.319 29.460 0.127 0.000 1.142 199 W HN 0.208 nan 8.180 nan 0.000 0.512 200 L N 0.709 121.836 121.223 -0.159 0.000 2.012 200 L HA -0.272 4.068 4.340 0.001 0.000 0.210 200 L C 2.498 179.170 176.870 -0.331 0.000 1.073 200 L CA 1.913 56.536 54.840 -0.362 0.000 0.748 200 L CB -0.861 40.970 42.059 -0.381 0.000 0.891 200 L HN -0.059 nan 8.230 nan 0.000 0.431 201 K N -0.339 119.928 120.400 -0.221 0.000 2.097 201 K HA -0.148 4.172 4.320 0.001 0.000 0.206 201 K C 1.225 177.708 176.600 -0.195 0.000 1.049 201 K CA 1.284 57.470 56.287 -0.169 0.000 0.933 201 K CB -0.090 32.347 32.500 -0.106 0.000 0.717 201 K HN 0.255 nan 8.250 nan 0.000 0.442 202 D N -0.200 120.057 120.400 -0.239 0.000 2.340 202 D HA 0.020 4.660 4.640 0.001 0.000 0.220 202 D C -0.158 175.927 176.300 -0.357 0.000 1.039 202 D CA 0.528 54.388 54.000 -0.233 0.000 0.866 202 D CB 0.588 41.293 40.800 -0.158 0.000 0.913 202 D HN -0.090 nan 8.370 nan 0.000 0.523 203 S N 1.182 116.574 115.700 -0.513 0.000 2.422 203 S HA 0.146 4.617 4.470 0.001 0.000 0.226 203 S C -1.675 172.693 174.600 -0.386 0.000 1.242 203 S CA -0.839 57.005 58.200 -0.593 0.000 1.231 203 S CB 1.482 63.940 63.200 -1.237 0.000 1.067 203 S HN 0.120 nan 8.310 nan 0.000 0.462 204 P HA -0.160 nan 4.420 nan 0.000 0.219 204 P C 0.960 178.187 177.300 -0.121 0.000 1.146 204 P CA 1.260 64.263 63.100 -0.161 0.000 0.808 204 P CB 0.237 31.867 31.700 -0.116 0.000 0.779 205 Q N -0.580 119.151 119.800 -0.116 0.000 2.331 205 Q HA 0.044 4.385 4.340 0.001 0.000 0.203 205 Q C 0.697 176.672 176.000 -0.042 0.000 0.944 205 Q CA 0.672 56.437 55.803 -0.063 0.000 0.892 205 Q CB -0.972 27.739 28.738 -0.045 0.000 0.983 205 Q HN 0.235 nan 8.270 nan 0.000 0.482 206 T N 2.763 117.269 114.554 -0.080 0.000 2.853 206 T HA 0.009 4.360 4.350 0.001 0.000 0.298 206 T C 0.623 175.334 174.700 0.018 0.000 0.978 206 T CA 0.104 62.194 62.100 -0.016 0.000 1.152 206 T CB 0.632 69.465 68.868 -0.058 0.000 0.914 206 T HN 0.107 nan 8.240 nan 0.000 0.539 207 D N 1.907 122.352 120.400 0.075 0.000 2.277 207 D HA 0.071 4.712 4.640 0.001 0.000 0.209 207 D C 0.378 176.719 176.300 0.069 0.000 0.970 207 D CA 0.729 54.777 54.000 0.080 0.000 0.874 207 D CB 0.575 41.445 40.800 0.117 0.000 0.982 207 D HN 0.266 nan 8.370 nan 0.000 0.504 208 V N 1.998 121.939 119.914 0.045 0.000 2.525 208 V HA 0.193 4.313 4.120 0.001 0.000 0.299 208 V C -0.097 175.939 176.094 -0.098 0.000 1.034 208 V CA -0.806 61.435 62.300 -0.099 0.000 0.863 208 V CB 2.565 34.112 31.823 -0.460 0.000 0.999 208 V HN -0.221 nan 8.190 nan 0.000 0.423 209 V N 5.336 125.184 119.914 -0.109 0.000 2.389 209 V HA 0.364 4.484 4.120 0.001 0.000 0.264 209 V C 0.661 176.469 176.094 -0.475 0.000 1.049 209 V CA -0.390 61.736 62.300 -0.291 0.000 0.932 209 V CB 0.812 32.360 31.823 -0.458 0.000 1.011 209 V HN 0.807 nan 8.190 nan 0.000 0.475 210 R N 5.064 125.321 120.500 -0.405 0.000 2.565 210 R HA 0.306 4.647 4.340 0.001 0.000 0.286 210 R C -0.909 175.175 176.300 -0.360 0.000 1.256 210 R CA -0.558 55.365 56.100 -0.294 0.000 1.238 210 R CB -0.006 30.213 30.300 -0.135 0.000 1.153 210 R HN 0.525 nan 8.270 nan 0.000 0.553 211 F N 1.961 121.735 119.950 -0.293 0.000 2.557 211 F HA 0.043 4.571 4.527 0.001 0.000 0.384 211 F C 0.827 176.380 175.800 -0.412 0.000 1.057 211 F CA 0.747 58.446 58.000 -0.502 0.000 1.169 211 F CB 1.163 39.563 39.000 -0.999 0.000 1.070 211 F HN 0.236 nan 8.300 nan 0.000 0.554 212 T N 2.396 116.885 114.554 -0.108 0.000 3.466 212 T HA 0.267 4.617 4.350 0.001 0.000 0.297 212 T C 0.464 175.253 174.700 0.148 0.000 1.640 212 T CA -0.351 61.783 62.100 0.057 0.000 1.631 212 T CB 0.475 69.377 68.868 0.056 0.000 0.928 212 T HN 0.604 nan 8.240 nan 0.000 0.688 213 T N 0.029 114.599 114.554 0.026 0.000 2.638 213 T HA 0.533 4.884 4.350 0.001 0.000 0.169 213 T C 0.066 174.416 174.700 -0.582 0.000 0.790 213 T CA -0.009 61.981 62.100 -0.184 0.000 1.151 213 T CB 0.182 69.085 68.868 0.059 0.000 2.581 213 T HN 0.194 nan 8.240 nan 0.000 0.391 214 F N -0.711 119.090 119.950 -0.249 0.000 2.126 214 F HA 0.518 5.045 4.527 0.001 0.000 0.203 214 F C 1.138 176.489 175.800 -0.749 0.000 1.230 214 F CA -0.516 56.988 58.000 -0.827 0.000 1.271 214 F CB -0.156 38.168 39.000 -1.128 0.000 1.758 214 F HN 0.181 nan 8.300 nan 0.000 0.304 215 F N -2.078 117.920 119.950 0.080 0.000 2.680 215 F HA 0.278 4.806 4.527 0.001 0.000 0.290 215 F C -0.649 174.843 175.800 -0.513 0.000 1.114 215 F CA -0.624 57.224 58.000 -0.254 0.000 1.333 215 F CB -0.215 38.573 39.000 -0.353 0.000 1.091 215 F HN -0.122 nan 8.300 nan 0.000 0.606 216 Y N 0.937 121.384 120.300 0.245 0.000 2.326 216 Y HA 0.511 5.061 4.550 0.001 0.000 0.329 216 Y C -0.031 175.926 175.900 0.096 0.000 0.973 216 Y CA -1.836 56.365 58.100 0.167 0.000 1.162 216 Y CB 1.147 39.711 38.460 0.173 0.000 1.147 216 Y HN -0.193 nan 8.280 nan 0.000 0.456 217 Q N 3.852 123.766 119.800 0.190 0.000 2.332 217 Q HA 0.281 4.621 4.340 0.001 0.000 0.263 217 Q C -0.664 175.361 176.000 0.042 0.000 0.979 217 Q CA -0.531 55.297 55.803 0.041 0.000 0.885 217 Q CB 0.246 28.936 28.738 -0.079 0.000 1.218 217 Q HN 0.462 nan 8.270 nan 0.000 0.405 218 F N 0.837 120.854 119.950 0.112 0.000 2.553 218 F HA 0.282 4.809 4.527 0.001 0.000 0.356 218 F C 0.340 176.197 175.800 0.096 0.000 1.142 218 F CA -0.806 57.235 58.000 0.067 0.000 1.322 218 F CB -0.308 38.738 39.000 0.077 0.000 1.126 218 F HN 0.404 nan 8.300 nan 0.000 0.599 219 T N 4.874 119.611 114.554 0.305 0.000 2.750 219 T HA 0.243 4.593 4.350 0.001 0.000 0.277 219 T C -0.461 174.355 174.700 0.193 0.000 0.996 219 T CA 0.404 62.620 62.100 0.193 0.000 1.195 219 T CB -0.312 68.676 68.868 0.199 0.000 0.963 219 T HN 0.627 nan 8.240 nan 0.000 0.516 220 L N 6.064 127.315 121.223 0.046 0.000 2.617 220 L HA 0.494 4.835 4.340 0.001 0.000 0.259 220 L C -1.527 175.425 176.870 0.137 0.000 0.995 220 L CA -0.183 54.706 54.840 0.083 0.000 0.899 220 L CB 0.874 42.880 42.059 -0.089 0.000 1.181 220 L HN 0.567 nan 8.230 nan 0.000 0.437 221 L N 4.234 125.571 121.223 0.190 0.000 2.386 221 L HA 0.601 4.942 4.340 0.001 0.000 0.271 221 L C -0.953 176.136 176.870 0.365 0.000 0.993 221 L CA -0.513 54.470 54.840 0.239 0.000 0.819 221 L CB 2.013 44.136 42.059 0.107 0.000 1.294 221 L HN 0.313 nan 8.230 nan 0.000 0.414 222 F N 0.695 120.727 119.950 0.135 0.000 2.497 222 F HA 0.433 4.960 4.527 0.001 0.000 0.331 222 F C 0.369 176.268 175.800 0.165 0.000 1.060 222 F CA -0.812 57.247 58.000 0.098 0.000 0.989 222 F CB 1.538 40.577 39.000 0.065 0.000 1.245 222 F HN 0.528 nan 8.300 nan 0.000 0.486 223 D N -0.550 119.916 120.400 0.110 0.000 2.569 223 D HA 0.147 4.787 4.640 0.001 0.000 0.266 223 D C 0.652 177.008 176.300 0.093 0.000 1.164 223 D CA -0.432 53.599 54.000 0.052 0.000 1.071 223 D CB 0.165 40.903 40.800 -0.104 0.000 1.183 223 D HN 0.505 nan 8.370 nan 0.000 0.613 224 E N 0.039 120.284 120.200 0.076 0.000 2.409 224 E HA -0.178 4.172 4.350 0.001 0.000 0.198 224 E C 0.392 177.022 176.600 0.050 0.000 1.024 224 E CA 0.873 57.352 56.400 0.133 0.000 0.861 224 E CB -0.273 29.487 29.700 0.101 0.000 0.788 224 E HN 0.542 nan 8.360 nan 0.000 0.521 225 K N 0.697 121.070 120.400 -0.044 0.000 2.397 225 K HA 0.242 4.563 4.320 0.001 0.000 0.202 225 K C -0.151 176.345 176.600 -0.173 0.000 1.022 225 K CA -0.171 56.068 56.287 -0.079 0.000 1.141 225 K CB 0.371 32.829 32.500 -0.070 0.000 0.857 225 K HN 0.003 nan 8.250 nan 0.000 0.514 226 R N 0.483 120.777 120.500 -0.344 0.000 3.878 226 R HA -0.185 4.156 4.340 0.001 0.000 0.330 226 R C -0.627 175.566 176.300 -0.178 0.000 1.186 226 R CA 0.709 56.479 56.100 -0.550 0.000 0.885 226 R CB -1.929 28.075 30.300 -0.493 0.000 1.377 226 R HN 0.220 nan 8.270 nan 0.000 0.523 227 R N 1.107 121.459 120.500 -0.246 0.000 2.643 227 R HA 0.296 4.636 4.340 0.001 0.000 0.272 227 R C 0.138 175.868 176.300 -0.950 0.000 0.995 227 R CA -0.995 54.863 56.100 -0.403 0.000 1.032 227 R CB 0.839 30.975 30.300 -0.274 0.000 1.126 227 R HN 0.124 nan 8.270 nan 0.000 0.505 228 E N 1.699 121.168 120.200 -1.218 0.000 2.452 228 E HA -0.119 4.232 4.350 0.001 0.000 0.261 228 E C 0.117 176.390 176.600 -0.545 0.000 0.987 228 E CA 0.361 56.021 56.400 -1.232 0.000 0.926 228 E CB 0.792 30.082 29.700 -0.683 0.000 0.934 228 E HN 0.444 nan 8.360 nan 0.000 0.452 229 K N 2.734 122.919 120.400 -0.358 0.000 2.273 229 K HA 0.135 4.456 4.320 0.001 0.000 0.206 229 K C -0.488 176.032 176.600 -0.134 0.000 1.072 229 K CA 0.342 56.520 56.287 -0.183 0.000 0.953 229 K CB 0.808 33.254 32.500 -0.091 0.000 1.043 229 K HN 0.368 nan 8.250 nan 0.000 0.477 230 V N 1.494 121.341 119.914 -0.112 0.000 2.686 230 V HA 0.437 4.558 4.120 0.001 0.000 0.306 230 V C -1.291 174.786 176.094 -0.027 0.000 1.065 230 V CA -0.962 61.264 62.300 -0.123 0.000 0.894 230 V CB 1.684 33.301 31.823 -0.344 0.000 1.004 230 V HN -0.030 nan 8.190 nan 0.000 0.424 231 V N 3.185 123.121 119.914 0.036 0.000 2.808 231 V HA 0.818 4.939 4.120 0.001 0.000 0.308 231 V C -1.995 174.216 176.094 0.196 0.000 1.099 231 V CA -0.134 62.259 62.300 0.156 0.000 0.920 231 V CB 2.269 34.188 31.823 0.159 0.000 1.014 231 V HN 1.032 nan 8.190 nan 0.000 0.425 232 D N 4.266 124.842 120.400 0.293 0.000 2.764 232 D HA 0.150 4.790 4.640 0.001 0.000 0.227 232 D C -0.015 176.433 176.300 0.246 0.000 1.347 232 D CA -0.438 53.733 54.000 0.286 0.000 0.953 232 D CB 1.280 42.267 40.800 0.312 0.000 1.476 232 D HN 0.564 nan 8.370 nan 0.000 0.585 233 W N 4.068 125.197 121.300 -0.286 0.000 2.387 233 W HA -0.051 4.609 4.660 0.001 0.000 0.272 233 W C 0.689 176.932 176.519 -0.460 0.000 1.224 233 W CA 0.965 57.833 57.345 -0.795 0.000 1.210 233 W CB -0.175 28.707 29.460 -0.963 0.000 1.125 233 W HN 0.403 nan 8.180 nan 0.000 0.572 234 F N -0.353 119.671 119.950 0.124 0.000 2.695 234 F HA 0.402 4.929 4.527 0.001 0.000 0.303 234 F C 1.681 177.434 175.800 -0.078 0.000 1.091 234 F CA 0.065 57.997 58.000 -0.113 0.000 1.300 234 F CB -0.906 38.017 39.000 -0.128 0.000 1.071 234 F HN -0.247 nan 8.300 nan 0.000 0.578 235 G N -0.595 108.326 108.800 0.202 0.000 2.432 235 G HA2 0.231 4.192 3.960 0.001 0.000 0.257 235 G HA3 0.231 4.192 3.960 0.001 0.000 0.257 235 G C 0.096 175.105 174.900 0.181 0.000 1.238 235 G CA -0.285 44.950 45.100 0.224 0.000 0.838 235 G HN 0.359 nan 8.290 nan 0.000 0.547 236 C N 2.418 121.841 119.300 0.204 0.000 2.688 236 C HA 0.372 4.833 4.460 0.001 0.000 0.297 236 C C 2.535 177.674 174.990 0.248 0.000 1.308 236 C CA 0.006 59.166 59.018 0.237 0.000 1.726 236 C CB -1.066 26.889 27.740 0.360 0.000 1.982 236 C HN 0.874 nan 8.230 nan 0.000 0.604 237 A N -0.499 122.450 122.820 0.216 0.000 1.908 237 A HA -0.197 4.124 4.320 0.001 0.000 0.218 237 A C 1.490 179.105 177.584 0.052 0.000 1.181 237 A CA 1.631 53.773 52.037 0.175 0.000 0.627 237 A CB -0.619 18.498 19.000 0.194 0.000 0.818 237 A HN 0.639 nan 8.150 nan 0.000 0.445 238 C N 0.789 120.138 119.300 0.081 0.000 2.439 238 C HA 0.396 4.857 4.460 0.001 0.000 0.411 238 C C 1.630 176.700 174.990 0.134 0.000 1.337 238 C CA 0.513 59.573 59.018 0.070 0.000 1.716 238 C CB -1.922 25.867 27.740 0.082 0.000 2.332 238 C HN 0.697 nan 8.230 nan 0.000 0.594 239 T N -3.742 110.835 114.554 0.038 0.000 3.328 239 T HA 0.245 4.596 4.350 0.001 0.000 0.305 239 T C 0.047 174.745 174.700 -0.003 0.000 0.939 239 T CA 0.039 62.100 62.100 -0.065 0.000 0.950 239 T CB -0.487 68.329 68.868 -0.087 0.000 1.182 239 T HN 0.280 nan 8.240 nan 0.000 0.545 240 V N 0.291 120.124 119.914 -0.135 0.000 2.966 240 V HA 1.020 5.140 4.120 0.001 0.000 0.317 240 V C -0.326 175.661 176.094 -0.177 0.000 1.070 240 V CA -0.423 61.726 62.300 -0.252 0.000 1.008 240 V CB 1.436 32.816 31.823 -0.739 0.000 1.070 240 V HN 0.798 nan 8.190 nan 0.000 0.457 241 S N 0.258 115.857 115.700 -0.168 0.000 2.578 241 S HA 0.574 5.044 4.470 0.001 0.000 0.272 241 S C -2.564 171.968 174.600 -0.113 0.000 1.145 241 S CA -0.729 57.411 58.200 -0.101 0.000 0.835 241 S CB 1.241 64.505 63.200 0.107 0.000 1.104 241 S HN 0.451 nan 8.310 nan 0.000 0.458 242 P HA -0.138 nan 4.420 nan 0.000 0.216 242 P C 1.639 179.012 177.300 0.122 0.000 1.157 242 P CA 1.355 64.311 63.100 -0.240 0.000 0.880 242 P CB 0.035 31.487 31.700 -0.413 0.000 0.791 243 R N 0.043 120.650 120.500 0.179 0.000 2.073 243 R HA -0.031 4.310 4.340 0.001 0.000 0.234 243 R C 2.144 178.597 176.300 0.257 0.000 1.134 243 R CA 2.047 58.314 56.100 0.279 0.000 0.952 243 R CB -1.589 28.950 30.300 0.399 0.000 0.850 243 R HN 0.063 nan 8.270 nan 0.000 0.433 244 A N 0.345 123.168 122.820 0.005 0.000 1.933 244 A HA -0.097 4.223 4.320 0.001 0.000 0.218 244 A C 2.291 179.986 177.584 0.184 0.000 1.175 244 A CA 1.517 53.449 52.037 -0.174 0.000 0.628 244 A CB -0.638 17.997 19.000 -0.607 0.000 0.814 244 A HN 0.344 nan 8.150 nan 0.000 0.444 245 L N -0.471 120.863 121.223 0.184 0.000 2.046 245 L HA -0.202 4.138 4.340 0.001 0.000 0.208 245 L C 2.065 179.076 176.870 0.235 0.000 1.077 245 L CA 1.534 56.497 54.840 0.205 0.000 0.747 245 L CB -0.631 41.554 42.059 0.210 0.000 0.896 245 L HN 0.297 nan 8.230 nan 0.000 0.432 246 D N -0.288 120.266 120.400 0.256 0.000 2.144 246 D HA -0.157 4.484 4.640 0.001 0.000 0.200 246 D C 1.803 178.225 176.300 0.202 0.000 0.978 246 D CA 1.028 55.162 54.000 0.224 0.000 0.833 246 D CB -0.231 40.711 40.800 0.237 0.000 0.961 246 D HN 0.264 nan 8.370 nan 0.000 0.470 247 D N -0.015 120.533 120.400 0.248 0.000 2.117 247 D HA -0.140 4.501 4.640 0.001 0.000 0.197 247 D C 1.818 178.215 176.300 0.161 0.000 0.987 247 D CA 0.383 54.547 54.000 0.272 0.000 0.829 247 D CB -0.504 40.583 40.800 0.478 0.000 0.961 247 D HN 0.198 nan 8.370 nan 0.000 0.460 248 F N 1.730 121.564 119.950 -0.193 0.000 2.095 248 F HA -0.201 4.327 4.527 0.001 0.000 0.298 248 F C 2.322 178.028 175.800 -0.157 0.000 1.104 248 F CA 1.794 59.503 58.000 -0.485 0.000 1.232 248 F CB -0.007 38.600 39.000 -0.655 0.000 0.987 248 F HN -0.088 nan 8.300 nan 0.000 0.475 249 E N 0.250 120.542 120.200 0.154 0.000 2.085 249 E HA -0.259 4.092 4.350 0.001 0.000 0.194 249 E C 2.210 178.804 176.600 -0.010 0.000 0.994 249 E CA 1.191 57.633 56.400 0.070 0.000 0.801 249 E CB -0.349 29.420 29.700 0.115 0.000 0.743 249 E HN 0.498 nan 8.360 nan 0.000 0.453 250 A N 1.053 123.887 122.820 0.023 0.000 1.930 250 A HA -0.173 4.148 4.320 0.001 0.000 0.217 250 A C 2.103 179.669 177.584 -0.030 0.000 1.175 250 A CA 1.645 53.693 52.037 0.019 0.000 0.627 250 A CB -0.373 18.662 19.000 0.058 0.000 0.815 250 A HN 0.205 nan 8.150 nan 0.000 0.443 251 K N -2.379 117.987 120.400 -0.057 0.000 2.167 251 K HA -0.046 4.274 4.320 0.001 0.000 0.203 251 K C 1.218 177.613 176.600 -0.343 0.000 1.052 251 K CA 1.150 57.364 56.287 -0.121 0.000 0.956 251 K CB -0.134 32.382 32.500 0.028 0.000 0.735 251 K HN 0.510 nan 8.250 nan 0.000 0.451 252 Y N -0.983 119.017 120.300 -0.500 0.000 2.442 252 Y HA 0.245 4.796 4.550 0.001 0.000 0.250 252 Y C 1.238 177.027 175.900 -0.184 0.000 1.113 252 Y CA 0.435 58.228 58.100 -0.511 0.000 1.273 252 Y CB 1.428 39.133 38.460 -1.259 0.000 1.138 252 Y HN 0.289 nan 8.280 nan 0.000 0.522 253 G N 0.031 108.814 108.800 -0.028 0.000 2.143 253 G HA2 -0.306 3.654 3.960 0.001 0.000 0.249 253 G HA3 -0.306 3.654 3.960 0.001 0.000 0.249 253 G C -0.256 174.786 174.900 0.237 0.000 0.981 253 G CA 0.403 45.559 45.100 0.093 0.000 0.665 253 G HN 0.516 nan 8.290 nan 0.000 0.528 254 Y N -2.374 117.993 120.300 0.112 0.000 2.609 254 Y HA 0.808 5.359 4.550 0.001 0.000 0.336 254 Y C -0.439 175.598 175.900 0.228 0.000 1.129 254 Y CA -1.840 56.348 58.100 0.146 0.000 1.040 254 Y CB 0.906 39.450 38.460 0.141 0.000 1.310 254 Y HN 0.202 nan 8.280 nan 0.000 0.460 255 R N 2.847 123.507 120.500 0.267 0.000 2.312 255 R HA 0.580 4.920 4.340 0.001 0.000 0.311 255 R C -1.247 175.155 176.300 0.171 0.000 1.004 255 R CA -0.575 55.621 56.100 0.160 0.000 0.902 255 R CB 0.725 31.096 30.300 0.117 0.000 1.073 255 R HN 0.890 nan 8.270 nan 0.000 0.457 256 L N 4.554 125.792 121.223 0.025 0.000 2.426 256 L HA 0.298 4.639 4.340 0.001 0.000 0.271 256 L C 0.711 177.567 176.870 -0.022 0.000 1.169 256 L CA -0.025 54.780 54.840 -0.059 0.000 0.836 256 L CB 0.786 42.658 42.059 -0.311 0.000 1.112 256 L HN 0.563 nan 8.230 nan 0.000 0.465 257 R N 3.030 123.492 120.500 -0.062 0.000 2.528 257 R HA 0.209 4.549 4.340 0.001 0.000 0.271 257 R C -1.581 174.576 176.300 -0.238 0.000 1.056 257 R CA -1.578 54.462 56.100 -0.100 0.000 1.117 257 R CB 0.395 30.642 30.300 -0.087 0.000 1.085 257 R HN 0.330 nan 8.270 nan 0.000 0.530 258 P HA -0.221 nan 4.420 nan 0.000 0.217 258 P C 0.733 177.743 177.300 -0.483 0.000 1.148 258 P CA 1.231 63.770 63.100 -0.934 0.000 0.828 258 P CB 0.282 31.509 31.700 -0.789 0.000 0.783 259 E N -0.095 119.926 120.200 -0.299 0.000 2.153 259 E HA -0.191 4.160 4.350 0.001 0.000 0.194 259 E C 1.458 177.906 176.600 -0.254 0.000 0.988 259 E CA 1.233 57.494 56.400 -0.231 0.000 0.811 259 E CB -0.983 28.622 29.700 -0.158 0.000 0.746 259 E HN 0.186 nan 8.360 nan 0.000 0.466 260 D N -1.156 119.061 120.400 -0.305 0.000 2.350 260 D HA -0.125 4.516 4.640 0.001 0.000 0.216 260 D C 0.988 176.868 176.300 -0.699 0.000 0.968 260 D CA 0.741 54.468 54.000 -0.456 0.000 0.894 260 D CB 0.019 40.509 40.800 -0.516 0.000 0.909 260 D HN 0.298 nan 8.370 nan 0.000 0.520 261 F N -0.231 119.511 119.950 -0.347 0.000 2.419 261 F HA -0.039 4.488 4.527 0.001 0.000 0.283 261 F C 2.375 178.017 175.800 -0.263 0.000 1.044 261 F CA 0.108 57.941 58.000 -0.279 0.000 1.376 261 F CB -0.609 38.245 39.000 -0.243 0.000 1.131 261 F HN -0.189 nan 8.300 nan 0.000 0.585 262 V N -1.976 117.814 119.914 -0.206 0.000 2.667 262 V HA -0.051 4.069 4.120 0.001 0.000 0.252 262 V C 0.585 176.407 176.094 -0.454 0.000 1.065 262 V CA 1.189 63.168 62.300 -0.535 0.000 1.083 262 V CB -0.825 30.696 31.823 -0.504 0.000 0.692 262 V HN 0.483 nan 8.190 nan 0.000 0.468 263 D N 0.934 121.173 120.400 -0.267 0.000 2.697 263 D HA -0.087 4.554 4.640 0.001 0.000 0.238 263 D C 1.150 177.361 176.300 -0.148 0.000 1.152 263 D CA 1.465 55.359 54.000 -0.175 0.000 0.666 263 D CB -1.543 39.189 40.800 -0.114 0.000 1.037 263 D HN 1.607 nan 8.370 nan 0.000 0.423 264 G N -0.686 108.019 108.800 -0.158 0.000 2.187 264 G HA2 0.008 3.968 3.960 0.001 0.000 0.261 264 G HA3 0.008 3.968 3.960 0.001 0.000 0.261 264 G C 1.484 176.327 174.900 -0.095 0.000 1.000 264 G CA 0.904 45.940 45.100 -0.108 0.000 0.718 264 G HN 1.820 nan 8.290 nan 0.000 0.519 265 G N -1.920 106.778 108.800 -0.169 0.000 2.176 265 G HA2 0.137 4.097 3.960 0.001 0.000 0.232 265 G HA3 0.137 4.097 3.960 0.001 0.000 0.232 265 G C 1.366 176.301 174.900 0.058 0.000 0.986 265 G CA 1.176 46.223 45.100 -0.088 0.000 0.643 265 G HN 2.001 nan 8.290 nan 0.000 0.522 266 A N -0.538 122.295 122.820 0.022 0.000 2.072 266 A HA 0.486 4.807 4.320 0.001 0.000 0.216 266 A C 1.366 179.109 177.584 0.265 0.000 1.156 266 A CA 1.616 53.737 52.037 0.139 0.000 0.701 266 A CB -0.374 18.681 19.000 0.093 0.000 0.816 266 A HN 1.452 nan 8.150 nan 0.000 0.458 267 Y N -0.899 119.441 120.300 0.067 0.000 3.721 267 Y HA -0.272 4.278 4.550 0.001 0.000 0.218 267 Y C 0.664 176.628 175.900 0.106 0.000 1.188 267 Y CA 0.629 58.781 58.100 0.086 0.000 1.607 267 Y CB -2.443 36.081 38.460 0.107 0.000 1.496 267 Y HN 0.577 nan 8.280 nan 0.000 0.626 268 N N -1.506 117.295 118.700 0.168 0.000 2.725 268 N HA -0.205 4.536 4.740 0.001 0.000 0.249 268 N C 0.289 175.952 175.510 0.254 0.000 1.103 268 N CA 1.164 54.312 53.050 0.164 0.000 0.707 268 N CB -1.079 37.478 38.487 0.116 0.000 1.043 268 N HN 0.585 nan 8.380 nan 0.000 0.553 269 S N -0.501 115.372 115.700 0.288 0.000 2.643 269 S HA 0.104 4.575 4.470 0.001 0.000 0.310 269 S C 1.709 176.561 174.600 0.420 0.000 1.253 269 S CA 0.487 58.906 58.200 0.365 0.000 1.047 269 S CB 0.643 64.052 63.200 0.347 0.000 0.767 269 S HN 0.442 nan 8.310 nan 0.000 0.498 270 A N 4.723 127.831 122.820 0.480 0.000 2.131 270 A HA -0.067 4.254 4.320 0.001 0.000 0.220 270 A C 1.486 179.306 177.584 0.395 0.000 1.158 270 A CA 1.358 53.629 52.037 0.390 0.000 0.665 270 A CB -0.740 18.316 19.000 0.092 0.000 0.795 270 A HN 0.985 nan 8.150 nan 0.000 0.460 271 W N 0.443 121.901 121.300 0.264 0.000 2.519 271 W HA 0.082 4.743 4.660 0.001 0.000 0.266 271 W C 0.982 177.496 176.519 -0.008 0.000 1.253 271 W CA 0.175 57.609 57.345 0.147 0.000 1.274 271 W CB 0.065 29.722 29.460 0.329 0.000 1.114 271 W HN 0.061 nan 8.180 nan 0.000 0.596 272 R N 1.013 121.673 120.500 0.266 0.000 2.537 272 R HA 0.086 4.426 4.340 0.001 0.000 0.280 272 R C -0.101 176.172 176.300 -0.046 0.000 1.058 272 R CA -0.176 55.993 56.100 0.115 0.000 1.057 272 R CB 0.359 30.731 30.300 0.120 0.000 0.973 272 R HN -0.238 nan 8.270 nan 0.000 0.438 273 V N 6.351 126.200 119.914 -0.108 0.000 2.475 273 V HA -0.011 4.109 4.120 0.001 0.000 0.292 273 V C -1.642 174.300 176.094 -0.253 0.000 1.003 273 V CA -0.734 61.428 62.300 -0.232 0.000 1.120 273 V CB 0.098 31.811 31.823 -0.183 0.000 0.937 273 V HN 0.600 nan 8.190 nan 0.000 0.476 274 P HA 0.277 nan 4.420 nan 0.000 0.271 274 P C -0.274 176.882 177.300 -0.239 0.000 1.216 274 P CA -0.112 62.760 63.100 -0.379 0.000 0.776 274 P CB 0.633 31.831 31.700 -0.836 0.000 0.881 275 R N 1.560 121.981 120.500 -0.132 0.000 2.573 275 R HA 0.257 4.597 4.340 0.001 0.000 0.272 275 R C 1.591 177.854 176.300 -0.062 0.000 1.009 275 R CA -0.793 55.246 56.100 -0.103 0.000 1.059 275 R CB 1.030 31.276 30.300 -0.090 0.000 1.112 275 R HN 0.425 nan 8.270 nan 0.000 0.517 276 K N 1.672 122.041 120.400 -0.051 0.000 2.063 276 K HA -0.208 4.112 4.320 0.001 0.000 0.208 276 K C 1.758 178.408 176.600 0.082 0.000 1.048 276 K CA 1.930 58.224 56.287 0.011 0.000 0.928 276 K CB -0.155 32.341 32.500 -0.006 0.000 0.713 276 K HN 0.691 nan 8.250 nan 0.000 0.442 277 A N 0.997 123.846 122.820 0.049 0.000 1.940 277 A HA -0.249 4.071 4.320 0.001 0.000 0.219 277 A C 2.015 179.604 177.584 0.009 0.000 1.176 277 A CA 1.725 53.810 52.037 0.080 0.000 0.631 277 A CB -0.528 18.449 19.000 -0.039 0.000 0.814 277 A HN 0.530 nan 8.150 nan 0.000 0.446 278 Q N -0.911 118.886 119.800 -0.004 0.000 2.050 278 Q HA -0.147 4.194 4.340 0.001 0.000 0.202 278 Q C 2.424 178.527 176.000 0.173 0.000 0.980 278 Q CA 1.530 57.370 55.803 0.062 0.000 0.840 278 Q CB -0.168 28.630 28.738 0.099 0.000 0.898 278 Q HN 0.630 nan 8.270 nan 0.000 0.424 279 R N 0.452 121.048 120.500 0.161 0.000 2.075 279 R HA -0.125 4.216 4.340 0.001 0.000 0.232 279 R C 1.750 178.180 176.300 0.217 0.000 1.126 279 R CA 1.363 57.578 56.100 0.191 0.000 0.963 279 R CB -0.105 30.277 30.300 0.136 0.000 0.858 279 R HN 0.277 nan 8.270 nan 0.000 0.435 280 D N -0.139 120.405 120.400 0.240 0.000 2.117 280 D HA -0.235 4.405 4.640 0.001 0.000 0.197 280 D C 1.475 177.903 176.300 0.213 0.000 0.987 280 D CA 0.821 54.975 54.000 0.255 0.000 0.829 280 D CB -0.323 40.677 40.800 0.333 0.000 0.961 280 D HN 0.356 nan 8.370 nan 0.000 0.460 281 W N 1.236 122.543 121.300 0.012 0.000 2.381 281 W HA -0.105 4.555 4.660 0.001 0.000 0.301 281 W C 1.973 178.578 176.519 0.143 0.000 1.205 281 W CA 0.597 57.947 57.345 0.008 0.000 1.285 281 W CB -0.226 29.139 29.460 -0.158 0.000 1.133 281 W HN -0.057 nan 8.180 nan 0.000 0.521 282 I N 0.773 121.446 120.570 0.171 0.000 2.226 282 I HA -0.339 3.831 4.170 0.001 0.000 0.245 282 I C 2.053 178.199 176.117 0.049 0.000 1.100 282 I CA 1.706 63.053 61.300 0.077 0.000 1.374 282 I CB -0.599 37.474 38.000 0.121 0.000 1.057 282 I HN -0.184 nan 8.210 nan 0.000 0.413 283 D N 0.388 120.869 120.400 0.136 0.000 2.117 283 D HA -0.208 4.433 4.640 0.001 0.000 0.197 283 D C 1.899 178.310 176.300 0.185 0.000 0.987 283 D CA 1.230 55.339 54.000 0.181 0.000 0.829 283 D CB -0.347 40.628 40.800 0.291 0.000 0.961 283 D HN 0.245 nan 8.370 nan 0.000 0.460 284 F N 1.266 121.218 119.950 0.004 0.000 2.102 284 F HA -0.116 4.411 4.527 0.001 0.000 0.298 284 F C 2.122 177.823 175.800 -0.166 0.000 1.105 284 F CA 1.198 59.166 58.000 -0.053 0.000 1.239 284 F CB -0.349 38.526 39.000 -0.209 0.000 0.991 284 F HN -0.108 nan 8.300 nan 0.000 0.474 285 L N -0.910 120.075 121.223 -0.397 0.000 2.056 285 L HA -0.202 4.139 4.340 0.001 0.000 0.207 285 L C 2.744 179.557 176.870 -0.094 0.000 1.078 285 L CA 1.584 56.188 54.840 -0.392 0.000 0.749 285 L CB -0.945 40.867 42.059 -0.412 0.000 0.901 285 L HN 0.227 nan 8.230 nan 0.000 0.433 286 S N -0.116 115.552 115.700 -0.054 0.000 2.383 286 S HA -0.121 4.350 4.470 0.001 0.000 0.227 286 S C 1.972 176.577 174.600 0.008 0.000 1.026 286 S CA 1.273 59.477 58.200 0.007 0.000 0.981 286 S CB -0.306 62.904 63.200 0.018 0.000 0.818 286 S HN 0.538 nan 8.310 nan 0.000 0.472 287 G N 0.282 109.081 108.800 -0.002 0.000 2.440 287 G HA2 -0.194 3.766 3.960 0.001 0.000 0.218 287 G HA3 -0.194 3.766 3.960 0.001 0.000 0.218 287 G C 1.255 176.145 174.900 -0.016 0.000 1.154 287 G CA 0.943 46.039 45.100 -0.005 0.000 0.767 287 G HN 0.583 nan 8.290 nan 0.000 0.552 288 F N 1.177 121.029 119.950 -0.164 0.000 2.084 288 F HA -0.026 4.502 4.527 0.001 0.000 0.296 288 F C 2.695 178.456 175.800 -0.065 0.000 1.111 288 F CA 1.377 59.291 58.000 -0.143 0.000 1.224 288 F CB -0.434 38.455 39.000 -0.185 0.000 0.991 288 F HN -0.006 nan 8.300 nan 0.000 0.471 289 V N 1.321 121.214 119.914 -0.035 0.000 2.282 289 V HA -0.343 3.778 4.120 0.001 0.000 0.249 289 V C 2.579 178.602 176.094 -0.117 0.000 1.057 289 V CA 2.469 64.772 62.300 0.006 0.000 1.032 289 V CB -0.723 31.235 31.823 0.225 0.000 0.645 289 V HN 0.308 nan 8.190 nan 0.000 0.447 290 R N -0.470 119.962 120.500 -0.113 0.000 2.092 290 R HA -0.194 4.146 4.340 0.001 0.000 0.231 290 R C 2.401 178.579 176.300 -0.203 0.000 1.119 290 R CA 1.646 57.654 56.100 -0.153 0.000 0.970 290 R CB -0.327 29.921 30.300 -0.087 0.000 0.864 290 R HN 0.671 nan 8.270 nan 0.000 0.440 291 E N 0.754 120.827 120.200 -0.213 0.000 2.085 291 E HA -0.202 4.148 4.350 0.001 0.000 0.194 291 E C 1.516 177.961 176.600 -0.258 0.000 0.994 291 E CA 1.258 57.523 56.400 -0.225 0.000 0.801 291 E CB 0.076 29.640 29.700 -0.227 0.000 0.743 291 E HN 0.307 nan 8.360 nan 0.000 0.453 292 N N -0.071 118.430 118.700 -0.332 0.000 2.300 292 N HA -0.095 4.646 4.740 0.001 0.000 0.179 292 N C 1.929 177.423 175.510 -0.027 0.000 1.016 292 N CA 0.898 53.818 53.050 -0.217 0.000 0.876 292 N CB 0.152 38.252 38.487 -0.646 0.000 0.979 292 N HN 0.079 nan 8.380 nan 0.000 0.432 293 V N 1.945 121.745 119.914 -0.189 0.000 2.343 293 V HA -0.220 3.901 4.120 0.001 0.000 0.247 293 V C 2.512 178.353 176.094 -0.421 0.000 1.051 293 V CA 1.495 63.428 62.300 -0.613 0.000 1.036 293 V CB -0.433 30.809 31.823 -0.968 0.000 0.654 293 V HN 0.291 nan 8.190 nan 0.000 0.451 294 K N -0.166 120.057 120.400 -0.295 0.000 2.063 294 K HA -0.293 4.027 4.320 0.001 0.000 0.208 294 K C 2.319 178.827 176.600 -0.152 0.000 1.048 294 K CA 2.113 58.270 56.287 -0.217 0.000 0.928 294 K CB -0.182 32.213 32.500 -0.174 0.000 0.713 294 K HN 0.543 nan 8.250 nan 0.000 0.442 295 Q N 0.525 120.251 119.800 -0.123 0.000 2.084 295 Q HA -0.162 4.179 4.340 0.001 0.000 0.202 295 Q C 2.135 178.177 176.000 0.069 0.000 0.978 295 Q CA 1.474 57.235 55.803 -0.070 0.000 0.844 295 Q CB -0.059 28.549 28.738 -0.217 0.000 0.898 295 Q HN 0.381 nan 8.270 nan 0.000 0.426 296 L N 0.130 121.407 121.223 0.089 0.000 2.042 296 L HA -0.197 4.143 4.340 0.001 0.000 0.210 296 L C 2.582 179.469 176.870 0.029 0.000 1.076 296 L CA 1.125 55.976 54.840 0.018 0.000 0.749 296 L CB -0.647 41.151 42.059 -0.435 0.000 0.893 296 L HN 0.314 nan 8.230 nan 0.000 0.432 297 A N -0.347 122.385 122.820 -0.147 0.000 1.898 297 A HA -0.204 4.116 4.320 0.001 0.000 0.216 297 A C 1.921 179.307 177.584 -0.330 0.000 1.181 297 A CA 1.786 53.678 52.037 -0.241 0.000 0.620 297 A CB -0.437 18.398 19.000 -0.275 0.000 0.819 297 A HN 0.331 nan 8.150 nan 0.000 0.442 298 D N -0.289 120.042 120.400 -0.115 0.000 2.117 298 D HA -0.132 4.509 4.640 0.001 0.000 0.197 298 D C 2.016 178.347 176.300 0.052 0.000 0.987 298 D CA 1.406 55.404 54.000 -0.004 0.000 0.829 298 D CB -0.355 40.449 40.800 0.006 0.000 0.961 298 D HN 0.485 nan 8.370 nan 0.000 0.460 299 M N 0.283 119.948 119.600 0.108 0.000 2.117 299 M HA -0.134 4.346 4.480 0.001 0.000 0.262 299 M C 2.309 178.693 176.300 0.140 0.000 1.065 299 M CA 1.022 56.416 55.300 0.157 0.000 1.114 299 M CB -0.085 32.698 32.600 0.305 0.000 1.361 299 M HN -0.126 nan 8.290 nan 0.000 0.408 300 S N -0.642 115.183 115.700 0.209 0.000 2.356 300 S HA -0.177 4.293 4.470 0.001 0.000 0.223 300 S C 1.635 176.316 174.600 0.136 0.000 1.032 300 S CA 1.349 59.658 58.200 0.182 0.000 1.005 300 S CB -0.716 62.612 63.200 0.214 0.000 0.867 300 S HN 0.572 nan 8.310 nan 0.000 0.449 301 H N 0.928 120.068 119.070 0.117 0.000 2.353 301 H HA 0.030 4.587 4.556 0.001 0.000 0.300 301 H C 2.411 177.764 175.328 0.041 0.000 1.090 301 H CA 0.859 56.948 56.048 0.068 0.000 1.327 301 H CB -0.141 29.653 29.762 0.054 0.000 1.383 301 H HN 0.443 nan 8.280 nan 0.000 0.508 302 A N 0.947 123.860 122.820 0.155 0.000 2.015 302 A HA -0.011 4.309 4.320 0.001 0.000 0.219 302 A C 2.315 179.923 177.584 0.041 0.000 1.163 302 A CA 1.174 53.257 52.037 0.077 0.000 0.646 302 A CB -0.493 18.537 19.000 0.050 0.000 0.806 302 A HN 0.458 nan 8.150 nan 0.000 0.448 303 A N -1.675 121.166 122.820 0.034 0.000 2.238 303 A HA 0.423 4.744 4.320 0.001 0.000 0.208 303 A C 1.648 179.237 177.584 0.007 0.000 1.177 303 A CA 1.073 53.105 52.037 -0.009 0.000 0.804 303 A CB -0.899 18.066 19.000 -0.059 0.000 0.823 303 A HN 1.838 nan 8.150 nan 0.000 0.482 304 G N -0.500 108.329 108.800 0.048 0.000 2.137 304 G HA2 -0.221 3.739 3.960 0.001 0.000 0.237 304 G HA3 -0.221 3.739 3.960 0.001 0.000 0.237 304 G C -0.039 174.902 174.900 0.069 0.000 1.002 304 G CA 0.479 45.608 45.100 0.049 0.000 0.702 304 G HN 0.599 nan 8.290 nan 0.000 0.515 305 K N -0.051 120.416 120.400 0.112 0.000 2.328 305 K HA 0.549 4.870 4.320 0.001 0.000 0.246 305 K C -0.068 176.661 176.600 0.214 0.000 0.955 305 K CA -0.912 55.450 56.287 0.124 0.000 0.817 305 K CB 2.025 34.582 32.500 0.095 0.000 1.208 305 K HN 0.269 nan 8.250 nan 0.000 0.432 306 E N 0.615 120.919 120.200 0.173 0.000 2.349 306 E HA 0.318 4.668 4.350 0.001 0.000 0.265 306 E C -0.813 175.876 176.600 0.148 0.000 1.064 306 E CA -0.580 55.945 56.400 0.209 0.000 0.886 306 E CB 1.369 31.166 29.700 0.160 0.000 1.036 306 E HN 0.553 nan 8.360 nan 0.000 0.413 307 A N 3.410 126.334 122.820 0.173 0.000 2.287 307 A HA 0.493 4.814 4.320 0.001 0.000 0.317 307 A C -0.615 177.054 177.584 0.142 0.000 1.220 307 A CA -0.522 51.636 52.037 0.202 0.000 0.835 307 A CB 0.494 19.595 19.000 0.167 0.000 1.180 307 A HN 0.640 nan 8.150 nan 0.000 0.500 308 M N 4.120 123.784 119.600 0.108 0.000 2.393 308 M HA 0.682 5.162 4.480 0.001 0.000 0.316 308 M C -1.202 175.168 176.300 0.117 0.000 1.087 308 M CA -0.634 54.675 55.300 0.014 0.000 0.937 308 M CB 1.751 34.261 32.600 -0.150 0.000 1.668 308 M HN 0.800 nan 8.290 nan 0.000 0.438 309 M N 4.584 124.258 119.600 0.122 0.000 2.294 309 M HA 0.415 4.895 4.480 0.001 0.000 0.335 309 M C -1.776 174.601 176.300 0.127 0.000 1.079 309 M CA -0.684 54.699 55.300 0.138 0.000 0.982 309 M CB 1.374 34.167 32.600 0.322 0.000 1.651 309 M HN 0.797 nan 8.290 nan 0.000 0.437 310 F N 5.595 125.506 119.950 -0.065 0.000 2.467 310 F HA 0.294 4.822 4.527 0.001 0.000 0.362 310 F C -0.764 174.998 175.800 -0.063 0.000 1.090 310 F CA -0.556 57.407 58.000 -0.063 0.000 1.202 310 F CB 0.639 39.600 39.000 -0.065 0.000 1.113 310 F HN 0.574 nan 8.300 nan 0.000 0.541 311 L N 7.400 128.160 121.223 -0.772 0.000 2.395 311 L HA 0.557 4.898 4.340 0.001 0.000 0.268 311 L C 0.096 176.175 176.870 -1.318 0.000 1.223 311 L CA 0.747 55.097 54.840 -0.816 0.000 1.093 311 L CB -0.880 40.864 42.059 -0.526 0.000 1.349 311 L HN 0.841 nan 8.230 nan 0.000 0.427 312 G N 1.553 109.635 108.800 -1.197 0.000 2.352 312 G HA2 0.204 4.165 3.960 0.001 0.000 0.283 312 G HA3 0.204 4.165 3.960 0.001 0.000 0.283 312 G C -0.708 174.244 174.900 0.086 0.000 1.308 312 G CA -0.201 44.406 45.100 -0.820 0.000 0.892 312 G HN 0.332 nan 8.290 nan 0.000 0.504 313 D N -0.668 120.079 120.400 0.579 0.000 3.910 313 D HA -0.209 4.432 4.640 0.001 0.000 0.153 313 D C 1.234 177.797 176.300 0.438 0.000 0.802 313 D CA 2.133 56.432 54.000 0.499 0.000 1.009 313 D CB -0.704 40.318 40.800 0.368 0.000 0.453 313 D HN 0.642 nan 8.370 nan 0.000 0.422 314 Q N 1.036 120.996 119.800 0.266 0.000 3.179 314 Q HA 0.144 4.485 4.340 0.001 0.000 0.328 314 Q C 0.657 176.823 176.000 0.278 0.000 1.336 314 Q CA -0.143 55.783 55.803 0.206 0.000 0.939 314 Q CB -0.577 28.201 28.738 0.067 0.000 1.658 314 Q HN 0.540 nan 8.270 nan 0.000 0.486 315 W N -0.445 120.891 121.300 0.058 0.000 3.220 315 W HA 0.279 4.939 4.660 0.001 0.000 0.328 315 W C -0.874 175.667 176.519 0.037 0.000 1.205 315 W CA -0.572 56.790 57.345 0.027 0.000 1.773 315 W CB 0.068 29.456 29.460 -0.121 0.000 1.086 315 W HN 0.017 nan 8.180 nan 0.000 0.622 316 I N 2.552 122.965 120.570 -0.262 0.000 2.683 316 I HA 0.203 4.374 4.170 0.001 0.000 0.286 316 I C 1.698 177.777 176.117 -0.063 0.000 1.175 316 I CA 1.512 62.609 61.300 -0.337 0.000 1.429 316 I CB -0.370 37.572 38.000 -0.097 0.000 1.371 316 I HN 0.435 nan 8.210 nan 0.000 0.569 317 G N 4.439 113.154 108.800 -0.141 0.000 2.175 317 G HA2 -0.329 3.631 3.960 0.001 0.000 0.244 317 G HA3 -0.329 3.631 3.960 0.001 0.000 0.244 317 G C 0.902 175.811 174.900 0.015 0.000 0.982 317 G CA 0.706 45.795 45.100 -0.017 0.000 0.641 317 G HN 0.696 nan 8.290 nan 0.000 0.527 318 T N -1.740 112.823 114.554 0.014 0.000 2.896 318 T HA 0.270 4.620 4.350 0.001 0.000 0.263 318 T C 0.835 175.624 174.700 0.147 0.000 1.050 318 T CA 1.226 63.412 62.100 0.143 0.000 1.140 318 T CB -0.081 68.965 68.868 0.296 0.000 0.877 318 T HN 0.785 nan 8.240 nan 0.000 0.457 319 E N 1.547 121.737 120.200 -0.018 0.000 2.291 319 E HA -0.112 4.239 4.350 0.001 0.000 0.181 319 E C -2.063 174.430 176.600 -0.178 0.000 1.480 319 E CA 0.529 56.895 56.400 -0.057 0.000 0.674 319 E CB -1.313 28.383 29.700 -0.006 0.000 1.108 319 E HN 0.451 nan 8.360 nan 0.000 0.357 320 P HA -0.130 nan 4.420 nan 0.000 0.222 320 P C 0.871 177.681 177.300 -0.816 0.000 1.147 320 P CA 1.186 63.483 63.100 -1.338 0.000 0.790 320 P CB 0.013 31.062 31.700 -1.085 0.000 0.780 321 Y N -0.708 119.449 120.300 -0.238 0.000 2.485 321 Y HA 0.204 4.754 4.550 0.001 0.000 0.260 321 Y C 0.870 176.748 175.900 -0.037 0.000 1.173 321 Y CA -0.103 57.935 58.100 -0.103 0.000 1.252 321 Y CB -0.001 38.415 38.460 -0.073 0.000 1.123 321 Y HN -0.194 nan 8.280 nan 0.000 0.524 322 K N 1.098 121.543 120.400 0.076 0.000 2.156 322 K HA 0.131 4.451 4.320 0.001 0.000 0.271 322 K C -0.684 175.980 176.600 0.106 0.000 0.995 322 K CA -0.870 55.472 56.287 0.092 0.000 0.890 322 K CB 0.761 33.309 32.500 0.079 0.000 1.073 322 K HN -0.027 nan 8.250 nan 0.000 0.454 323 D N 0.822 121.279 120.400 0.096 0.000 2.601 323 D HA -0.049 4.591 4.640 0.001 0.000 0.229 323 D C 1.340 177.697 176.300 0.096 0.000 1.140 323 D CA 1.899 55.953 54.000 0.090 0.000 0.862 323 D CB 0.505 41.345 40.800 0.067 0.000 1.192 323 D HN 0.841 nan 8.370 nan 0.000 0.480 324 G N 1.231 110.086 108.800 0.092 0.000 2.213 324 G HA2 -0.363 3.597 3.960 0.001 0.000 0.236 324 G HA3 -0.363 3.597 3.960 0.001 0.000 0.236 324 G C 0.937 175.888 174.900 0.086 0.000 0.991 324 G CA 0.234 45.376 45.100 0.069 0.000 0.629 324 G HN 0.468 nan 8.290 nan 0.000 0.517 325 F N 3.072 123.011 119.950 -0.018 0.000 2.161 325 F HA -0.054 4.474 4.527 0.001 0.000 0.300 325 F C 2.542 178.323 175.800 -0.031 0.000 1.089 325 F CA 2.442 60.422 58.000 -0.033 0.000 1.282 325 F CB -0.037 38.938 39.000 -0.042 0.000 1.010 325 F HN 0.349 nan 8.300 nan 0.000 0.485 326 D N -0.031 120.399 120.400 0.050 0.000 2.221 326 D HA -0.254 4.387 4.640 0.001 0.000 0.204 326 D C 1.491 177.737 176.300 -0.090 0.000 0.982 326 D CA 1.623 55.607 54.000 -0.027 0.000 0.857 326 D CB -0.973 39.851 40.800 0.039 0.000 0.934 326 D HN 0.504 nan 8.370 nan 0.000 0.475 327 E N -0.111 120.038 120.200 -0.084 0.000 2.418 327 E HA 0.044 4.395 4.350 0.001 0.000 0.197 327 E C 2.142 178.665 176.600 -0.130 0.000 1.026 327 E CA 0.013 56.365 56.400 -0.080 0.000 0.862 327 E CB -0.034 29.635 29.700 -0.052 0.000 0.799 327 E HN 0.381 nan 8.360 nan 0.000 0.518 328 L N -0.415 120.669 121.223 -0.232 0.000 2.291 328 L HA 0.042 4.382 4.340 0.001 0.000 0.214 328 L C 1.570 178.325 176.870 -0.191 0.000 1.120 328 L CA 0.601 55.274 54.840 -0.279 0.000 0.799 328 L CB -0.423 41.347 42.059 -0.482 0.000 0.925 328 L HN 0.265 nan 8.230 nan 0.000 0.446 329 G N 0.930 109.644 108.800 -0.144 0.000 2.176 329 G HA2 -0.281 3.680 3.960 0.001 0.000 0.252 329 G HA3 -0.281 3.680 3.960 0.001 0.000 0.252 329 G C 0.123 175.055 174.900 0.053 0.000 1.024 329 G CA -0.197 44.903 45.100 0.000 0.000 0.755 329 G HN 0.219 nan 8.290 nan 0.000 0.507 330 L N 0.248 121.408 121.223 -0.105 0.000 2.453 330 L HA 0.217 4.558 4.340 0.001 0.000 0.272 330 L C 1.490 178.366 176.870 0.011 0.000 1.182 330 L CA -0.353 54.458 54.840 -0.047 0.000 0.858 330 L CB 0.463 42.446 42.059 -0.126 0.000 1.120 330 L HN 0.134 nan 8.230 nan 0.000 0.474 331 D N 2.138 122.576 120.400 0.062 0.000 2.149 331 D HA 0.045 4.685 4.640 0.001 0.000 0.201 331 D C 0.447 176.605 176.300 -0.237 0.000 0.972 331 D CA 1.079 55.085 54.000 0.010 0.000 0.835 331 D CB 0.479 41.344 40.800 0.108 0.000 0.966 331 D HN 0.602 nan 8.370 nan 0.000 0.476 332 A N 0.095 122.734 122.820 -0.300 0.000 2.606 332 A HA 0.531 4.851 4.320 0.001 0.000 0.293 332 A C -1.237 176.246 177.584 -0.169 0.000 1.082 332 A CA -0.559 51.176 52.037 -0.503 0.000 0.685 332 A CB 1.997 20.355 19.000 -1.071 0.000 1.284 332 A HN -0.086 nan 8.150 nan 0.000 0.408 333 V N 0.940 120.790 119.914 -0.105 0.000 2.495 333 V HA 0.642 4.763 4.120 0.001 0.000 0.298 333 V C -0.399 175.687 176.094 -0.014 0.000 1.031 333 V CA -0.604 61.692 62.300 -0.006 0.000 0.871 333 V CB 1.528 33.366 31.823 0.025 0.000 0.988 333 V HN 0.997 nan 8.190 nan 0.000 0.432 334 V N 4.564 124.498 119.914 0.034 0.000 2.513 334 V HA 1.001 5.122 4.120 0.001 0.000 0.299 334 V C 0.259 176.389 176.094 0.060 0.000 1.035 334 V CA 0.413 62.760 62.300 0.079 0.000 0.889 334 V CB 1.517 33.433 31.823 0.154 0.000 0.988 334 V HN 1.005 nan 8.190 nan 0.000 0.440 335 G N 2.994 111.787 108.800 -0.011 0.000 2.733 335 G HA2 0.529 4.490 3.960 0.001 0.000 0.288 335 G HA3 0.529 4.490 3.960 0.001 0.000 0.288 335 G C -1.036 173.826 174.900 -0.064 0.000 1.373 335 G CA -0.422 44.593 45.100 -0.142 0.000 0.895 335 G HN 0.956 nan 8.290 nan 0.000 0.479 336 S N -0.636 114.989 115.700 -0.125 0.000 2.499 336 S HA 0.531 5.002 4.470 0.001 0.000 0.275 336 S C -0.078 174.447 174.600 -0.126 0.000 1.257 336 S CA -0.569 57.590 58.200 -0.068 0.000 1.050 336 S CB -0.089 63.070 63.200 -0.068 0.000 0.937 336 S HN 0.334 nan 8.310 nan 0.000 0.490 337 I N 4.600 125.000 120.570 -0.283 0.000 2.355 337 I HA 0.393 4.564 4.170 0.001 0.000 0.288 337 I C 1.100 177.071 176.117 -0.243 0.000 0.999 337 I CA -0.549 60.505 61.300 -0.410 0.000 1.163 337 I CB 1.693 39.124 38.000 -0.948 0.000 1.316 337 I HN 0.874 nan 8.210 nan 0.000 0.454 338 G N 4.229 112.950 108.800 -0.133 0.000 3.274 338 G HA2 0.243 4.203 3.960 0.001 0.000 0.250 338 G HA3 0.243 4.203 3.960 0.001 0.000 0.250 338 G C -0.296 174.601 174.900 -0.005 0.000 1.024 338 G CA 0.136 45.225 45.100 -0.018 0.000 0.840 338 G HN 0.675 nan 8.290 nan 0.000 0.522 339 D N -2.985 117.370 120.400 -0.075 0.000 2.865 339 D HA 0.296 4.937 4.640 0.001 0.000 0.343 339 D C 1.241 177.436 176.300 -0.176 0.000 1.372 339 D CA 0.119 54.062 54.000 -0.096 0.000 0.862 339 D CB 0.292 41.047 40.800 -0.075 0.000 1.425 339 D HN -0.034 nan 8.370 nan 0.000 0.501 340 G N -0.883 107.767 108.800 -0.250 0.000 2.403 340 G HA2 -0.137 3.823 3.960 0.001 0.000 0.216 340 G HA3 -0.137 3.823 3.960 0.001 0.000 0.216 340 G C 1.114 175.793 174.900 -0.368 0.000 1.154 340 G CA 1.589 46.506 45.100 -0.305 0.000 0.784 340 G HN 0.516 nan 8.290 nan 0.000 0.538 341 T N 1.385 115.741 114.554 -0.330 0.000 2.708 341 T HA -0.173 4.177 4.350 0.001 0.000 0.266 341 T C 2.819 177.381 174.700 -0.230 0.000 1.037 341 T CA 2.232 64.162 62.100 -0.282 0.000 1.146 341 T CB -0.723 67.963 68.868 -0.303 0.000 0.865 341 T HN 0.556 nan 8.240 nan 0.000 0.435 342 T N 0.373 114.806 114.554 -0.201 0.000 2.867 342 T HA -0.101 4.250 4.350 0.001 0.000 0.268 342 T C 2.069 176.655 174.700 -0.190 0.000 1.057 342 T CA 1.519 63.502 62.100 -0.195 0.000 1.136 342 T CB -1.013 67.683 68.868 -0.286 0.000 0.874 342 T HN 0.290 nan 8.240 nan 0.000 0.466 343 T N 1.967 116.374 114.554 -0.245 0.000 2.652 343 T HA -0.067 4.284 4.350 0.001 0.000 0.267 343 T C 2.193 176.738 174.700 -0.257 0.000 1.039 343 T CA 1.033 62.991 62.100 -0.236 0.000 1.153 343 T CB -0.201 68.537 68.868 -0.216 0.000 0.863 343 T HN 0.269 nan 8.240 nan 0.000 0.428 344 R N 0.747 120.970 120.500 -0.463 0.000 2.115 344 R HA 0.155 4.495 4.340 0.001 0.000 0.230 344 R C 2.421 178.506 176.300 -0.359 0.000 1.111 344 R CA 0.817 56.493 56.100 -0.707 0.000 0.976 344 R CB -0.747 28.410 30.300 -1.904 0.000 0.870 344 R HN 0.484 nan 8.270 nan 0.000 0.445 345 M N -0.095 119.422 119.600 -0.139 0.000 2.144 345 M HA -0.189 4.292 4.480 0.001 0.000 0.260 345 M C 2.067 178.481 176.300 0.190 0.000 1.067 345 M CA 1.752 57.153 55.300 0.167 0.000 1.095 345 M CB -0.288 32.412 32.600 0.168 0.000 1.365 345 M HN 0.043 nan 8.290 nan 0.000 0.406 346 I N -0.756 119.833 120.570 0.032 0.000 2.296 346 I HA -0.109 4.061 4.170 0.001 0.000 0.242 346 I C 2.642 178.778 176.117 0.032 0.000 1.087 346 I CA 0.867 62.169 61.300 0.004 0.000 1.393 346 I CB -0.564 37.409 38.000 -0.044 0.000 1.093 346 I HN 0.171 nan 8.210 nan 0.000 0.421 347 A N 0.470 123.299 122.820 0.015 0.000 1.978 347 A HA -0.229 4.091 4.320 0.001 0.000 0.220 347 A C 1.622 179.267 177.584 0.101 0.000 1.170 347 A CA 2.128 54.193 52.037 0.047 0.000 0.636 347 A CB -0.596 18.409 19.000 0.007 0.000 0.810 347 A HN 0.369 nan 8.150 nan 0.000 0.448 348 D N -0.594 119.912 120.400 0.177 0.000 2.340 348 D HA 0.169 4.810 4.640 0.001 0.000 0.220 348 D C 0.207 176.659 176.300 0.254 0.000 1.039 348 D CA 0.029 54.210 54.000 0.302 0.000 0.866 348 D CB -0.138 40.974 40.800 0.520 0.000 0.913 348 D HN 0.457 nan 8.370 nan 0.000 0.523 349 I N 2.041 122.627 120.570 0.025 0.000 2.517 349 I HA 0.016 4.187 4.170 0.001 0.000 0.285 349 I C -1.050 175.023 176.117 -0.072 0.000 1.106 349 I CA -1.154 59.965 61.300 -0.303 0.000 1.402 349 I CB 1.142 38.931 38.000 -0.351 0.000 1.399 349 I HN -0.152 nan 8.210 nan 0.000 0.535 350 P HA -0.006 nan 4.420 nan 0.000 0.221 350 P C 1.217 178.571 177.300 0.089 0.000 1.155 350 P CA 0.541 63.676 63.100 0.058 0.000 0.812 350 P CB 0.265 32.011 31.700 0.078 0.000 0.801 351 G N 0.070 108.956 108.800 0.144 0.000 3.327 351 G HA2 0.320 4.281 3.960 0.001 0.000 0.240 351 G HA3 0.320 4.281 3.960 0.001 0.000 0.240 351 G C 0.233 175.209 174.900 0.128 0.000 1.222 351 G CA 0.030 45.238 45.100 0.180 0.000 0.871 351 G HN 0.332 nan 8.290 nan 0.000 0.525 352 V N -4.560 115.420 119.914 0.109 0.000 3.141 352 V HA 0.582 4.703 4.120 0.001 0.000 0.312 352 V C 0.853 176.987 176.094 0.067 0.000 1.157 352 V CA -1.203 61.135 62.300 0.062 0.000 1.041 352 V CB 1.866 33.719 31.823 0.050 0.000 1.071 352 V HN 0.015 nan 8.190 nan 0.000 0.441 353 K N 0.476 120.916 120.400 0.065 0.000 2.116 353 K HA 0.206 4.526 4.320 0.001 0.000 0.203 353 K C -0.060 176.706 176.600 0.277 0.000 1.052 353 K CA 1.920 58.307 56.287 0.166 0.000 0.952 353 K CB -0.043 32.591 32.500 0.224 0.000 0.729 353 K HN 0.822 nan 8.250 nan 0.000 0.446 354 Y N -1.949 118.405 120.300 0.090 0.000 2.670 354 Y HA 0.436 4.987 4.550 0.001 0.000 0.334 354 Y C -0.960 175.003 175.900 0.104 0.000 1.185 354 Y CA -1.499 56.661 58.100 0.100 0.000 1.053 354 Y CB 1.079 39.601 38.460 0.102 0.000 1.298 354 Y HN -0.134 nan 8.280 nan 0.000 0.459 355 T N -1.208 113.495 114.554 0.248 0.000 2.916 355 T HA 0.688 5.038 4.350 0.001 0.000 0.292 355 T C -1.292 173.547 174.700 0.232 0.000 1.055 355 T CA -0.745 61.438 62.100 0.138 0.000 1.009 355 T CB 2.473 71.409 68.868 0.113 0.000 1.118 355 T HN 0.939 nan 8.240 nan 0.000 0.497 356 E N 0.021 120.308 120.200 0.144 0.000 2.314 356 E HA 0.578 4.929 4.350 0.001 0.000 0.272 356 E C -0.763 175.861 176.600 0.040 0.000 0.884 356 E CA -1.049 55.437 56.400 0.143 0.000 0.753 356 E CB 1.687 31.501 29.700 0.190 0.000 1.213 356 E HN 1.023 nan 8.360 nan 0.000 0.432 357 G N 3.214 112.004 108.800 -0.017 0.000 2.370 357 G HA2 0.285 4.246 3.960 0.001 0.000 0.317 357 G HA3 0.285 4.246 3.960 0.001 0.000 0.317 357 G C -0.752 174.025 174.900 -0.205 0.000 1.162 357 G CA -0.569 44.432 45.100 -0.165 0.000 0.922 357 G HN 0.270 nan 8.290 nan 0.000 0.454 358 R N 3.704 124.079 120.500 -0.207 0.000 2.233 358 R HA 0.234 4.574 4.340 0.001 0.000 0.334 358 R C -0.970 175.162 176.300 -0.280 0.000 1.037 358 R CA -0.718 55.250 56.100 -0.220 0.000 0.920 358 R CB -0.031 30.218 30.300 -0.085 0.000 1.137 358 R HN 0.377 nan 8.270 nan 0.000 0.492 359 F N 3.783 123.403 119.950 -0.550 0.000 2.471 359 F HA 0.140 4.667 4.527 0.001 0.000 0.353 359 F C 1.028 176.741 175.800 -0.146 0.000 1.113 359 F CA -0.006 57.754 58.000 -0.400 0.000 1.262 359 F CB 0.693 39.343 39.000 -0.584 0.000 1.146 359 F HN 0.221 nan 8.300 nan 0.000 0.578 360 L N 5.420 126.771 121.223 0.213 0.000 2.436 360 L HA 0.297 4.637 4.340 0.001 0.000 0.265 360 L C -1.984 175.188 176.870 0.503 0.000 1.168 360 L CA -1.935 53.091 54.840 0.309 0.000 0.815 360 L CB 0.381 42.558 42.059 0.196 0.000 1.109 360 L HN 0.372 nan 8.230 nan 0.000 0.462 361 P HA 0.024 nan 4.420 nan 0.000 0.279 361 P C -1.060 176.546 177.300 0.509 0.000 1.239 361 P CA -0.307 63.044 63.100 0.418 0.000 0.789 361 P CB 0.528 32.391 31.700 0.271 0.000 0.933 362 Y N 2.070 122.498 120.300 0.213 0.000 2.597 362 Y HA 0.019 4.570 4.550 0.001 0.000 0.336 362 Y C 0.676 176.738 175.900 0.270 0.000 1.216 362 Y CA 0.031 58.144 58.100 0.021 0.000 1.463 362 Y CB 0.166 38.499 38.460 -0.212 0.000 1.303 362 Y HN 0.205 nan 8.280 nan 0.000 0.576 363 F N 6.379 126.074 119.950 -0.424 0.000 2.662 363 F HA 0.115 4.642 4.527 0.001 0.000 0.365 363 F C -0.652 175.237 175.800 0.149 0.000 1.222 363 F CA -0.534 57.218 58.000 -0.413 0.000 1.315 363 F CB -1.800 36.902 39.000 -0.497 0.000 1.711 363 F HN 0.183 nan 8.300 nan 0.000 0.651 364 F N 2.606 122.799 119.950 0.404 0.000 2.593 364 F HA 0.437 4.965 4.527 0.001 0.000 0.320 364 F C -1.614 174.395 175.800 0.349 0.000 1.060 364 F CA -3.083 55.155 58.000 0.396 0.000 0.940 364 F CB 1.927 41.160 39.000 0.388 0.000 1.268 364 F HN -0.140 nan 8.300 nan 0.000 0.475 365 P HA -0.052 nan 4.420 nan 0.000 0.242 365 P C 0.625 178.089 177.300 0.274 0.000 1.197 365 P CA 0.833 64.103 63.100 0.283 0.000 0.765 365 P CB -0.023 31.750 31.700 0.121 0.000 0.936 366 D N -0.865 119.688 120.400 0.255 0.000 2.269 366 D HA -0.083 4.557 4.640 0.001 0.000 0.208 366 D C 1.082 177.567 176.300 0.308 0.000 0.963 366 D CA 1.305 55.421 54.000 0.194 0.000 0.864 366 D CB -0.909 39.989 40.800 0.164 0.000 0.936 366 D HN 0.085 nan 8.370 nan 0.000 0.505 367 T N -1.097 113.641 114.554 0.307 0.000 3.056 367 T HA 0.182 4.533 4.350 0.001 0.000 0.243 367 T C 0.251 174.749 174.700 -0.337 0.000 0.995 367 T CA -0.260 61.856 62.100 0.026 0.000 1.091 367 T CB 0.017 68.803 68.868 -0.136 0.000 0.990 367 T HN 0.003 nan 8.240 nan 0.000 0.464 368 F N 3.808 123.673 119.950 -0.141 0.000 2.541 368 F HA 0.394 4.921 4.527 0.001 0.000 0.351 368 F C -0.401 175.419 175.800 0.032 0.000 1.209 368 F CA -1.385 56.313 58.000 -0.504 0.000 1.277 368 F CB -0.364 38.317 39.000 -0.531 0.000 1.632 368 F HN 0.243 nan 8.300 nan 0.000 0.619 369 Y N -1.342 119.051 120.300 0.155 0.000 2.545 369 Y HA 0.459 5.009 4.550 0.001 0.000 0.348 369 Y C -0.197 175.908 175.900 0.341 0.000 1.002 369 Y CA -2.060 56.199 58.100 0.264 0.000 1.039 369 Y CB 0.605 39.133 38.460 0.114 0.000 1.271 369 Y HN 0.244 nan 8.280 nan 0.000 0.467 370 E N 1.359 121.767 120.200 0.347 0.000 2.529 370 E HA 0.280 4.631 4.350 0.001 0.000 0.259 370 E C 0.990 177.675 176.600 0.141 0.000 0.966 370 E CA 1.707 58.207 56.400 0.167 0.000 0.937 370 E CB 0.015 29.781 29.700 0.110 0.000 0.923 370 E HN 1.145 nan 8.360 nan 0.000 0.468 371 G N 3.747 112.577 108.800 0.049 0.000 2.284 371 G HA2 -0.290 3.671 3.960 0.001 0.000 0.230 371 G HA3 -0.290 3.671 3.960 0.001 0.000 0.230 371 G C 0.334 175.195 174.900 -0.066 0.000 1.021 371 G CA 0.194 45.311 45.100 0.028 0.000 0.619 371 G HN 0.635 nan 8.290 nan 0.000 0.510 372 N N 1.178 119.706 118.700 -0.286 0.000 2.515 372 N HA 0.499 5.239 4.740 0.001 0.000 0.279 372 N C -1.311 174.091 175.510 -0.180 0.000 1.164 372 N CA -0.308 52.493 53.050 -0.415 0.000 0.982 372 N CB 1.331 39.159 38.487 -1.098 0.000 1.170 372 N HN 0.124 nan 8.380 nan 0.000 0.474 373 D N 2.368 122.676 120.400 -0.154 0.000 2.462 373 D HA 0.374 5.014 4.640 0.001 0.000 0.249 373 D C -2.015 174.201 176.300 -0.140 0.000 1.117 373 D CA -2.030 51.931 54.000 -0.065 0.000 0.900 373 D CB 1.119 41.918 40.800 -0.002 0.000 1.039 373 D HN 0.345 nan 8.370 nan 0.000 0.516 374 P HA -0.085 nan 4.420 nan 0.000 0.226 374 P C 1.345 178.676 177.300 0.052 0.000 1.153 374 P CA 0.587 63.432 63.100 -0.425 0.000 0.777 374 P CB 0.209 31.135 31.700 -1.290 0.000 0.794 375 S N -0.881 114.945 115.700 0.209 0.000 2.423 375 S HA -0.118 4.353 4.470 0.001 0.000 0.231 375 S C 1.870 176.565 174.600 0.158 0.000 1.014 375 S CA 0.695 59.062 58.200 0.279 0.000 0.965 375 S CB -1.402 61.905 63.200 0.179 0.000 0.785 375 S HN 0.052 nan 8.310 nan 0.000 0.495 376 I N 1.957 122.585 120.570 0.096 0.000 2.113 376 I HA -0.176 3.994 4.170 0.001 0.000 0.238 376 I C 2.977 179.158 176.117 0.106 0.000 1.070 376 I CA 2.032 63.379 61.300 0.078 0.000 1.332 376 I CB -0.483 37.543 38.000 0.044 0.000 1.044 376 I HN 0.431 nan 8.210 nan 0.000 0.402 377 E N 1.168 121.425 120.200 0.096 0.000 2.110 377 E HA -0.206 4.145 4.350 0.001 0.000 0.193 377 E C 2.256 178.985 176.600 0.214 0.000 0.988 377 E CA 1.375 57.851 56.400 0.126 0.000 0.804 377 E CB -0.239 29.511 29.700 0.083 0.000 0.745 377 E HN 0.536 nan 8.360 nan 0.000 0.458 378 G N 1.466 110.433 108.800 0.278 0.000 2.476 378 G HA2 -0.278 3.683 3.960 0.001 0.000 0.218 378 G HA3 -0.278 3.683 3.960 0.001 0.000 0.218 378 G C 1.481 176.563 174.900 0.304 0.000 1.164 378 G CA 0.954 46.287 45.100 0.388 0.000 0.768 378 G HN 0.303 nan 8.290 nan 0.000 0.560 379 L N 0.649 122.010 121.223 0.229 0.000 2.131 379 L HA 0.150 4.491 4.340 0.001 0.000 0.206 379 L C 2.201 179.232 176.870 0.269 0.000 1.087 379 L CA 2.012 57.002 54.840 0.249 0.000 0.767 379 L CB -0.516 41.637 42.059 0.156 0.000 0.917 379 L HN 0.255 nan 8.230 nan 0.000 0.441 380 D N -0.574 119.948 120.400 0.204 0.000 2.104 380 D HA -0.234 4.407 4.640 0.001 0.000 0.194 380 D C 1.828 178.246 176.300 0.197 0.000 0.994 380 D CA 1.875 55.980 54.000 0.175 0.000 0.830 380 D CB -0.099 40.785 40.800 0.140 0.000 0.959 380 D HN 0.499 nan 8.370 nan 0.000 0.452 381 N N -0.551 118.299 118.700 0.249 0.000 2.104 381 N HA -0.166 4.574 4.740 0.001 0.000 0.190 381 N C 1.788 177.530 175.510 0.388 0.000 1.024 381 N CA 0.836 54.061 53.050 0.291 0.000 0.853 381 N CB -0.307 38.402 38.487 0.369 0.000 1.008 381 N HN 0.420 nan 8.380 nan 0.000 0.424 382 W N 2.590 124.031 121.300 0.235 0.000 2.355 382 W HA -0.113 4.548 4.660 0.001 0.000 0.309 382 W C 1.891 178.514 176.519 0.173 0.000 1.206 382 W CA 1.003 58.468 57.345 0.200 0.000 1.284 382 W CB -0.130 29.377 29.460 0.080 0.000 1.145 382 W HN 0.031 nan 8.180 nan 0.000 0.502 383 R N 0.392 120.881 120.500 -0.017 0.000 2.091 383 R HA -0.185 4.156 4.340 0.001 0.000 0.238 383 R C 2.324 178.512 176.300 -0.186 0.000 1.136 383 R CA 2.017 58.016 56.100 -0.168 0.000 0.959 383 R CB -0.378 29.933 30.300 0.017 0.000 0.856 383 R HN 0.194 nan 8.270 nan 0.000 0.437 384 K N -0.172 120.182 120.400 -0.077 0.000 2.103 384 K HA -0.033 4.287 4.320 0.001 0.000 0.204 384 K C 2.108 178.602 176.600 -0.177 0.000 1.052 384 K CA 1.204 57.412 56.287 -0.132 0.000 0.945 384 K CB -0.034 32.393 32.500 -0.123 0.000 0.722 384 K HN 0.131 nan 8.250 nan 0.000 0.443 385 A N 1.657 124.414 122.820 -0.105 0.000 1.897 385 A HA -0.138 4.183 4.320 0.001 0.000 0.215 385 A C 2.109 179.555 177.584 -0.231 0.000 1.181 385 A CA 1.081 53.072 52.037 -0.076 0.000 0.620 385 A CB -0.412 18.739 19.000 0.250 0.000 0.821 385 A HN 0.199 nan 8.150 nan 0.000 0.443 386 R N 0.554 120.692 120.500 -0.604 0.000 2.096 386 R HA -0.241 4.099 4.340 0.001 0.000 0.240 386 R C 2.465 178.565 176.300 -0.333 0.000 1.139 386 R CA 2.101 57.744 56.100 -0.763 0.000 0.952 386 R CB -0.376 29.185 30.300 -1.231 0.000 0.854 386 R HN 0.694 nan 8.270 nan 0.000 0.436 387 R N -0.190 120.152 120.500 -0.263 0.000 2.120 387 R HA -0.052 4.289 4.340 0.001 0.000 0.234 387 R C 2.112 178.335 176.300 -0.129 0.000 1.123 387 R CA 1.393 57.400 56.100 -0.155 0.000 0.975 387 R CB -0.574 29.660 30.300 -0.111 0.000 0.866 387 R HN 0.228 nan 8.270 nan 0.000 0.446 388 A N 1.962 124.684 122.820 -0.164 0.000 1.898 388 A HA -0.020 4.301 4.320 0.001 0.000 0.216 388 A C 2.262 179.784 177.584 -0.104 0.000 1.181 388 A CA 1.098 53.030 52.037 -0.176 0.000 0.620 388 A CB -0.421 18.424 19.000 -0.258 0.000 0.819 388 A HN 0.277 nan 8.150 nan 0.000 0.442 389 I N -0.160 120.374 120.570 -0.059 0.000 2.335 389 I HA -0.267 3.903 4.170 0.001 0.000 0.251 389 I C 2.153 178.303 176.117 0.054 0.000 1.129 389 I CA 1.012 62.331 61.300 0.031 0.000 1.402 389 I CB -0.229 37.834 38.000 0.106 0.000 1.069 389 I HN 0.292 nan 8.210 nan 0.000 0.424 390 L N -0.082 121.165 121.223 0.041 0.000 2.201 390 L HA -0.127 4.214 4.340 0.001 0.000 0.212 390 L C 2.498 179.427 176.870 0.099 0.000 1.105 390 L CA 0.762 55.684 54.840 0.137 0.000 0.775 390 L CB -0.415 41.706 42.059 0.104 0.000 0.913 390 L HN 0.204 nan 8.230 nan 0.000 0.440 391 R N -1.138 119.374 120.500 0.020 0.000 2.173 391 R HA 0.168 4.509 4.340 0.001 0.000 0.208 391 R C 0.698 177.021 176.300 0.037 0.000 1.035 391 R CA 0.317 56.421 56.100 0.007 0.000 1.004 391 R CB -0.036 30.257 30.300 -0.012 0.000 0.917 391 R HN 0.075 nan 8.270 nan 0.000 0.462 392 S N 1.242 116.961 115.700 0.033 0.000 2.511 392 S HA 0.385 4.855 4.470 0.001 0.000 0.233 392 S C -2.856 171.783 174.600 0.065 0.000 1.104 392 S CA -1.302 56.930 58.200 0.053 0.000 1.129 392 S CB 1.250 64.468 63.200 0.031 0.000 1.159 392 S HN -0.176 nan 8.310 nan 0.000 0.451 393 P HA 0.340 nan 4.420 nan 0.000 0.271 393 P C -0.411 176.986 177.300 0.160 0.000 1.218 393 P CA -0.378 62.794 63.100 0.119 0.000 0.780 393 P CB 0.309 32.071 31.700 0.103 0.000 0.901 394 I N -1.565 119.144 120.570 0.231 0.000 2.525 394 I HA 0.392 4.562 4.170 0.001 0.000 0.301 394 I C 0.778 177.135 176.117 0.401 0.000 0.992 394 I CA -0.454 61.023 61.300 0.295 0.000 1.162 394 I CB 1.846 40.029 38.000 0.305 0.000 1.332 394 I HN 0.084 nan 8.210 nan 0.000 0.458 395 S N 3.337 119.257 115.700 0.368 0.000 2.383 395 S HA 0.092 4.563 4.470 0.001 0.000 0.227 395 S C 0.631 175.483 174.600 0.420 0.000 1.026 395 S CA 0.773 59.180 58.200 0.344 0.000 0.981 395 S CB -0.238 63.147 63.200 0.309 0.000 0.818 395 S HN 0.673 nan 8.310 nan 0.000 0.472 396 R N -0.441 120.322 120.500 0.439 0.000 2.710 396 R HA 0.597 4.937 4.340 0.001 0.000 0.270 396 R C -0.863 175.373 176.300 -0.107 0.000 1.021 396 R CA -0.512 55.709 56.100 0.202 0.000 0.889 396 R CB 1.769 32.168 30.300 0.165 0.000 1.243 396 R HN 0.244 nan 8.270 nan 0.000 0.464 397 M N -1.038 118.261 119.600 -0.502 0.000 2.788 397 M HA 0.935 5.416 4.480 0.001 0.000 0.291 397 M C -0.317 175.615 176.300 -0.613 0.000 1.213 397 M CA -0.627 54.361 55.300 -0.520 0.000 0.768 397 M CB 2.557 34.669 32.600 -0.814 0.000 1.766 397 M HN 0.663 nan 8.290 nan 0.000 0.460 398 G N -0.629 107.749 108.800 -0.704 0.000 2.317 398 G HA2 0.498 4.459 3.960 0.001 0.000 0.293 398 G HA3 0.498 4.459 3.960 0.001 0.000 0.293 398 G C -2.582 171.827 174.900 -0.820 0.000 1.287 398 G CA -0.733 43.776 45.100 -0.985 0.000 0.850 398 G HN 0.777 nan 8.290 nan 0.000 0.515 399 Y N -1.139 118.873 120.300 -0.481 0.000 2.638 399 Y HA 0.747 5.297 4.550 0.001 0.000 0.339 399 Y C 0.683 176.212 175.900 -0.618 0.000 1.084 399 Y CA 0.044 57.845 58.100 -0.500 0.000 1.068 399 Y CB 2.631 40.756 38.460 -0.558 0.000 1.294 399 Y HN 1.015 nan 8.280 nan 0.000 0.480 400 G N -0.554 107.763 108.800 -0.804 0.000 2.660 400 G HA2 0.617 4.577 3.960 0.001 0.000 0.294 400 G HA3 0.617 4.577 3.960 0.001 0.000 0.294 400 G C -0.446 173.495 174.900 -1.598 0.000 1.369 400 G CA -0.283 44.272 45.100 -0.908 0.000 0.912 400 G HN 1.261 nan 8.290 nan 0.000 0.479 401 G N -0.936 107.225 108.800 -1.064 0.000 2.384 401 G HA2 0.066 4.027 3.960 0.001 0.000 0.204 401 G HA3 0.066 4.027 3.960 0.001 0.000 0.204 401 G C -1.050 173.732 174.900 -0.196 0.000 1.237 401 G CA -0.712 43.930 45.100 -0.763 0.000 1.060 401 G HN 0.940 nan 8.290 nan 0.000 0.514 402 Y N 0.985 121.389 120.300 0.173 0.000 2.539 402 Y HA 0.407 4.958 4.550 0.001 0.000 0.352 402 Y C 1.761 177.729 175.900 0.114 0.000 1.004 402 Y CA 0.047 58.230 58.100 0.137 0.000 1.278 402 Y CB 1.107 39.638 38.460 0.119 0.000 1.136 402 Y HN 0.583 nan 8.280 nan 0.000 0.528 403 L N 2.450 123.836 121.223 0.271 0.000 2.079 403 L HA -0.253 4.087 4.340 0.001 0.000 0.210 403 L C 2.290 179.158 176.870 -0.004 0.000 1.081 403 L CA 2.258 57.254 54.840 0.261 0.000 0.752 403 L CB -0.621 41.661 42.059 0.371 0.000 0.896 403 L HN 0.722 nan 8.230 nan 0.000 0.433 404 S N -1.807 113.673 115.700 -0.368 0.000 2.447 404 S HA -0.140 4.331 4.470 0.001 0.000 0.233 404 S C 1.889 176.381 174.600 -0.180 0.000 1.006 404 S CA 0.986 58.826 58.200 -0.601 0.000 0.957 404 S CB -0.634 61.933 63.200 -1.055 0.000 0.773 404 S HN 0.350 nan 8.310 nan 0.000 0.507 405 L N 1.997 123.145 121.223 -0.124 0.000 2.068 405 L HA 0.401 4.741 4.340 0.001 0.000 0.204 405 L C 2.686 179.462 176.870 -0.156 0.000 1.076 405 L CA 1.545 56.342 54.840 -0.072 0.000 0.753 405 L CB -1.501 40.533 42.059 -0.042 0.000 0.910 405 L HN 0.317 nan 8.230 nan 0.000 0.439 406 A N -0.430 122.012 122.820 -0.630 0.000 1.933 406 A HA -0.089 4.232 4.320 0.001 0.000 0.218 406 A C 2.408 179.985 177.584 -0.012 0.000 1.175 406 A CA 1.604 53.168 52.037 -0.789 0.000 0.628 406 A CB -1.062 16.892 19.000 -1.744 0.000 0.814 406 A HN 0.519 nan 8.150 nan 0.000 0.444 407 A N 0.039 122.872 122.820 0.022 0.000 2.024 407 A HA -0.173 4.147 4.320 0.001 0.000 0.220 407 A C 1.886 179.558 177.584 0.146 0.000 1.164 407 A CA 1.785 53.900 52.037 0.130 0.000 0.643 407 A CB -0.412 18.722 19.000 0.223 0.000 0.806 407 A HN 0.576 nan 8.150 nan 0.000 0.451 408 K N -1.539 118.957 120.400 0.160 0.000 2.505 408 K HA 0.164 4.484 4.320 0.001 0.000 0.192 408 K C -0.891 175.614 176.600 -0.159 0.000 1.025 408 K CA 0.122 56.415 56.287 0.011 0.000 1.086 408 K CB 0.011 32.477 32.500 -0.057 0.000 0.840 408 K HN 0.464 nan 8.250 nan 0.000 0.514 409 F N 1.228 121.246 119.950 0.114 0.000 2.453 409 F HA 0.222 4.749 4.527 0.001 0.000 0.358 409 F C -1.743 174.164 175.800 0.178 0.000 1.129 409 F CA -2.480 55.611 58.000 0.152 0.000 1.200 409 F CB 1.394 40.529 39.000 0.225 0.000 1.431 409 F HN -0.104 nan 8.300 nan 0.000 0.503 410 P HA -0.225 nan 4.420 nan 0.000 0.215 410 P C 1.700 179.099 177.300 0.166 0.000 1.153 410 P CA 1.440 64.624 63.100 0.141 0.000 0.853 410 P CB 0.354 32.088 31.700 0.058 0.000 0.788 411 K N -1.233 119.271 120.400 0.173 0.000 2.097 411 K HA -0.163 4.158 4.320 0.001 0.000 0.206 411 K C 2.085 178.794 176.600 0.182 0.000 1.049 411 K CA 1.171 57.547 56.287 0.147 0.000 0.933 411 K CB -0.544 32.037 32.500 0.135 0.000 0.717 411 K HN 0.001 nan 8.250 nan 0.000 0.442 412 F N 0.736 120.773 119.950 0.146 0.000 2.163 412 F HA -0.156 4.372 4.527 0.001 0.000 0.297 412 F C 1.731 177.608 175.800 0.129 0.000 1.094 412 F CA 0.910 58.983 58.000 0.122 0.000 1.290 412 F CB -0.209 38.890 39.000 0.164 0.000 1.017 412 F HN -0.237 nan 8.300 nan 0.000 0.483 413 V N 0.586 120.667 119.914 0.279 0.000 2.282 413 V HA -0.355 3.765 4.120 0.001 0.000 0.249 413 V C 2.210 178.421 176.094 0.196 0.000 1.057 413 V CA 2.363 64.857 62.300 0.324 0.000 1.032 413 V CB -0.725 31.284 31.823 0.309 0.000 0.645 413 V HN 0.343 nan 8.190 nan 0.000 0.447 414 D N -0.375 120.082 120.400 0.094 0.000 2.144 414 D HA -0.130 4.511 4.640 0.001 0.000 0.199 414 D C 2.292 178.563 176.300 -0.047 0.000 0.984 414 D CA 1.788 55.814 54.000 0.044 0.000 0.834 414 D CB -0.117 40.702 40.800 0.032 0.000 0.955 414 D HN 0.444 nan 8.370 nan 0.000 0.465 415 T N 0.056 114.517 114.554 -0.155 0.000 2.777 415 T HA -0.084 4.266 4.350 0.001 0.000 0.266 415 T C 2.208 176.693 174.700 -0.357 0.000 1.040 415 T CA 0.734 62.697 62.100 -0.229 0.000 1.141 415 T CB -0.173 68.543 68.868 -0.254 0.000 0.868 415 T HN -0.020 nan 8.240 nan 0.000 0.444 416 V N 1.747 121.280 119.914 -0.635 0.000 2.343 416 V HA -0.191 3.929 4.120 0.001 0.000 0.247 416 V C 2.779 178.473 176.094 -0.667 0.000 1.051 416 V CA 2.004 63.778 62.300 -0.876 0.000 1.036 416 V CB -1.333 29.521 31.823 -1.616 0.000 0.654 416 V HN 0.523 nan 8.190 nan 0.000 0.451 417 T N -0.733 113.631 114.554 -0.317 0.000 2.665 417 T HA -0.328 4.023 4.350 0.001 0.000 0.268 417 T C 1.820 176.442 174.700 -0.130 0.000 1.035 417 T CA 2.409 64.470 62.100 -0.066 0.000 1.151 417 T CB -0.463 68.478 68.868 0.122 0.000 0.862 417 T HN 0.765 nan 8.240 nan 0.000 0.438 418 H N 0.967 119.922 119.070 -0.192 0.000 2.290 418 H HA -0.023 4.534 4.556 0.001 0.000 0.298 418 H C 2.088 177.239 175.328 -0.295 0.000 1.087 418 H CA 1.742 57.684 56.048 -0.176 0.000 1.291 418 H CB -0.522 29.163 29.762 -0.130 0.000 1.369 418 H HN 0.336 nan 8.280 nan 0.000 0.492 419 I N 0.503 120.807 120.570 -0.445 0.000 2.163 419 I HA -0.298 3.873 4.170 0.001 0.000 0.243 419 I C 2.828 178.511 176.117 -0.724 0.000 1.085 419 I CA 1.199 61.964 61.300 -0.891 0.000 1.347 419 I CB -0.587 36.849 38.000 -0.940 0.000 1.044 419 I HN 0.499 nan 8.210 nan 0.000 0.408 420 A N 0.864 123.408 122.820 -0.461 0.000 1.883 420 A HA -0.235 4.086 4.320 0.001 0.000 0.217 420 A C 2.118 179.619 177.584 -0.138 0.000 1.186 420 A CA 2.059 53.947 52.037 -0.249 0.000 0.624 420 A CB -0.739 18.049 19.000 -0.353 0.000 0.822 420 A HN 0.427 nan 8.150 nan 0.000 0.444 421 N N -0.387 118.200 118.700 -0.188 0.000 2.069 421 N HA -0.181 4.559 4.740 0.001 0.000 0.191 421 N C 1.779 177.233 175.510 -0.094 0.000 1.031 421 N CA 1.663 54.643 53.050 -0.117 0.000 0.852 421 N CB -0.434 37.981 38.487 -0.120 0.000 1.018 421 N HN 0.771 nan 8.380 nan 0.000 0.423 422 E N -0.230 119.848 120.200 -0.203 0.000 2.110 422 E HA -0.160 4.190 4.350 0.001 0.000 0.193 422 E C 1.866 178.539 176.600 0.122 0.000 0.988 422 E CA 0.556 56.920 56.400 -0.060 0.000 0.804 422 E CB -0.172 29.447 29.700 -0.135 0.000 0.745 422 E HN 0.283 nan 8.360 nan 0.000 0.458 423 F N 1.500 121.373 119.950 -0.128 0.000 2.069 423 F HA -0.209 4.319 4.527 0.001 0.000 0.298 423 F C 2.353 178.225 175.800 0.120 0.000 1.113 423 F CA 1.797 59.841 58.000 0.073 0.000 1.214 423 F CB -0.040 38.917 39.000 -0.073 0.000 0.978 423 F HN -0.108 nan 8.300 nan 0.000 0.474 424 R N -0.142 120.496 120.500 0.230 0.000 2.081 424 R HA -0.200 4.140 4.340 0.001 0.000 0.235 424 R C 1.960 178.271 176.300 0.017 0.000 1.131 424 R CA 1.827 58.001 56.100 0.123 0.000 0.960 424 R CB -0.750 29.614 30.300 0.108 0.000 0.856 424 R HN 0.357 nan 8.270 nan 0.000 0.436 425 D N 0.413 120.814 120.400 0.002 0.000 2.117 425 D HA -0.103 4.538 4.640 0.001 0.000 0.198 425 D C 1.755 177.973 176.300 -0.138 0.000 0.982 425 D CA 0.964 54.920 54.000 -0.073 0.000 0.828 425 D CB 0.063 40.844 40.800 -0.030 0.000 0.967 425 D HN 0.119 nan 8.370 nan 0.000 0.464 426 I N -0.506 120.082 120.570 0.030 0.000 2.163 426 I HA -0.266 3.905 4.170 0.001 0.000 0.243 426 I C 2.241 178.266 176.117 -0.153 0.000 1.085 426 I CA 1.399 62.742 61.300 0.073 0.000 1.347 426 I CB -0.388 37.741 38.000 0.214 0.000 1.044 426 I HN 0.193 nan 8.210 nan 0.000 0.408 427 H N 0.940 119.857 119.070 -0.255 0.000 2.321 427 H HA -0.202 4.354 4.556 0.001 0.000 0.300 427 H C 1.847 177.040 175.328 -0.225 0.000 1.087 427 H CA 2.116 58.015 56.048 -0.248 0.000 1.319 427 H CB 0.040 29.662 29.762 -0.234 0.000 1.379 427 H HN 0.230 nan 8.280 nan 0.000 0.501 428 D N -0.107 120.241 120.400 -0.086 0.000 2.117 428 D HA -0.108 4.533 4.640 0.001 0.000 0.197 428 D C 2.255 178.369 176.300 -0.310 0.000 0.987 428 D CA 1.093 55.013 54.000 -0.133 0.000 0.829 428 D CB -0.137 40.591 40.800 -0.120 0.000 0.961 428 D HN 0.418 nan 8.370 nan 0.000 0.460 429 R N -0.198 120.009 120.500 -0.488 0.000 2.119 429 R HA -0.013 4.328 4.340 0.001 0.000 0.222 429 R C 2.146 178.075 176.300 -0.618 0.000 1.088 429 R CA 1.447 57.146 56.100 -0.668 0.000 0.984 429 R CB -0.147 29.385 30.300 -1.279 0.000 0.884 429 R HN 0.269 nan 8.270 nan 0.000 0.447 430 T N -3.342 110.831 114.554 -0.636 0.000 3.081 430 T HA 0.135 4.485 4.350 0.001 0.000 0.255 430 T C 1.429 175.828 174.700 -0.501 0.000 1.113 430 T CA 0.544 62.204 62.100 -0.733 0.000 1.082 430 T CB 0.578 68.938 68.868 -0.847 0.000 0.939 430 T HN 0.356 nan 8.240 nan 0.000 0.506 431 G N 1.236 109.760 108.800 -0.460 0.000 2.168 431 G HA2 0.043 4.003 3.960 0.001 0.000 0.257 431 G HA3 0.043 4.003 3.960 0.001 0.000 0.257 431 G C 1.084 175.697 174.900 -0.479 0.000 0.997 431 G CA 0.405 45.276 45.100 -0.383 0.000 0.708 431 G HN 1.794 nan 8.290 nan 0.000 0.520 432 G N -2.480 105.910 108.800 -0.684 0.000 2.160 432 G HA2 0.096 4.056 3.960 0.001 0.000 0.251 432 G HA3 0.096 4.056 3.960 0.001 0.000 0.251 432 G C 0.878 175.686 174.900 -0.154 0.000 1.008 432 G CA 1.364 46.146 45.100 -0.531 0.000 0.724 432 G HN 2.348 nan 8.290 nan 0.000 0.514 433 V N -2.623 117.227 119.914 -0.107 0.000 2.850 433 V HA 0.954 5.074 4.120 0.001 0.000 0.315 433 V C 0.653 176.856 176.094 0.182 0.000 1.064 433 V CA -0.530 61.793 62.300 0.038 0.000 0.979 433 V CB 1.707 33.558 31.823 0.046 0.000 1.039 433 V HN 1.736 nan 8.190 nan 0.000 0.452 434 A N 2.806 125.725 122.820 0.166 0.000 2.388 434 A HA 0.767 5.087 4.320 0.001 0.000 0.257 434 A C 0.830 178.492 177.584 0.130 0.000 1.095 434 A CA 0.104 52.243 52.037 0.170 0.000 0.791 434 A CB -0.007 19.046 19.000 0.088 0.000 1.029 434 A HN 2.246 nan 8.150 nan 0.000 0.489 435 A N 1.473 124.257 122.820 -0.060 0.000 2.492 435 A HA 0.316 4.637 4.320 0.001 0.000 0.236 435 A C 0.642 178.030 177.584 -0.328 0.000 1.078 435 A CA 0.251 51.898 52.037 -0.651 0.000 0.773 435 A CB -0.044 18.494 19.000 -0.770 0.000 1.023 435 A HN 0.914 nan 8.150 nan 0.000 0.504 436 E N 0.934 120.903 120.200 -0.385 0.000 2.324 436 E HA 0.361 4.712 4.350 0.001 0.000 0.271 436 E C 0.327 176.865 176.600 -0.104 0.000 1.028 436 E CA 0.009 56.293 56.400 -0.194 0.000 0.890 436 E CB 0.466 30.041 29.700 -0.207 0.000 1.004 436 E HN 0.702 nan 8.360 nan 0.000 0.431 437 G N 3.602 112.380 108.800 -0.036 0.000 2.371 437 G HA2 0.161 4.122 3.960 0.001 0.000 0.326 437 G HA3 0.161 4.122 3.960 0.001 0.000 0.326 437 G C 0.050 174.970 174.900 0.034 0.000 1.127 437 G CA -0.428 44.674 45.100 0.003 0.000 0.885 437 G HN 0.734 nan 8.290 nan 0.000 0.477 438 E N 0.370 120.603 120.200 0.055 0.000 2.498 438 E HA 0.269 4.620 4.350 0.001 0.000 0.203 438 E C -0.045 176.549 176.600 -0.010 0.000 1.013 438 E CA 0.191 56.646 56.400 0.092 0.000 0.927 438 E CB 0.466 30.319 29.700 0.255 0.000 1.012 438 E HN 0.280 nan 8.360 nan 0.000 0.482 439 L N 0.613 121.792 121.223 -0.074 0.000 2.612 439 L HA 0.317 4.657 4.340 0.001 0.000 0.256 439 L C -1.296 175.532 176.870 -0.071 0.000 0.949 439 L CA -1.027 53.738 54.840 -0.125 0.000 0.867 439 L CB 2.109 43.985 42.059 -0.306 0.000 1.417 439 L HN -0.112 nan 8.230 nan 0.000 0.414 440 N N 1.578 120.252 118.700 -0.043 0.000 2.437 440 N HA 0.505 5.246 4.740 0.001 0.000 0.259 440 N C -1.069 174.412 175.510 -0.048 0.000 0.983 440 N CA -0.257 52.772 53.050 -0.034 0.000 0.937 440 N CB 2.460 40.942 38.487 -0.009 0.000 1.122 440 N HN 0.150 nan 8.380 nan 0.000 0.499 441 V N 1.161 121.020 119.914 -0.092 0.000 2.448 441 V HA 0.702 4.823 4.120 0.001 0.000 0.295 441 V C -0.193 175.766 176.094 -0.225 0.000 1.025 441 V CA -0.943 61.279 62.300 -0.129 0.000 0.859 441 V CB 1.520 33.263 31.823 -0.133 0.000 0.988 441 V HN 0.721 nan 8.190 nan 0.000 0.431 442 A N 6.250 128.930 122.820 -0.234 0.000 2.304 442 A HA 0.783 5.103 4.320 0.001 0.000 0.314 442 A C -0.557 176.805 177.584 -0.369 0.000 1.187 442 A CA -0.552 51.287 52.037 -0.331 0.000 0.810 442 A CB 0.595 19.436 19.000 -0.266 0.000 1.183 442 A HN 0.658 nan 8.150 nan 0.000 0.487 443 I N 3.234 123.472 120.570 -0.554 0.000 2.371 443 I HA 0.167 4.338 4.170 0.001 0.000 0.290 443 I C -0.408 175.517 176.117 -0.319 0.000 1.028 443 I CA -0.209 60.827 61.300 -0.441 0.000 1.345 443 I CB 1.058 38.702 38.000 -0.594 0.000 1.407 443 I HN 0.576 nan 8.210 nan 0.000 0.501 444 L N 9.007 130.088 121.223 -0.237 0.000 2.287 444 L HA 0.485 4.826 4.340 0.001 0.000 0.287 444 L C -0.515 176.133 176.870 -0.370 0.000 1.022 444 L CA 0.129 54.775 54.840 -0.323 0.000 0.814 444 L CB 0.802 42.723 42.059 -0.230 0.000 1.217 444 L HN 0.815 nan 8.230 nan 0.000 0.420 445 N N 1.051 119.407 118.700 -0.572 0.000 3.364 445 N HA 0.313 5.054 4.740 0.001 0.000 0.294 445 N C -0.113 175.050 175.510 -0.579 0.000 1.562 445 N CA -0.245 52.539 53.050 -0.444 0.000 0.862 445 N CB 0.510 38.977 38.487 -0.032 0.000 1.691 445 N HN 0.164 nan 8.380 nan 0.000 0.572 446 S N -1.339 114.225 115.700 -0.227 0.000 2.423 446 S HA 0.016 4.487 4.470 0.001 0.000 0.231 446 S C 0.721 175.096 174.600 -0.375 0.000 1.014 446 S CA 0.875 58.920 58.200 -0.259 0.000 0.965 446 S CB -0.472 62.420 63.200 -0.514 0.000 0.785 446 S HN 0.567 nan 8.310 nan 0.000 0.495 447 W N 1.333 122.515 121.300 -0.196 0.000 2.526 447 W HA 0.319 4.980 4.660 0.001 0.000 0.294 447 W C 1.843 178.262 176.519 -0.166 0.000 1.181 447 W CA 0.502 57.738 57.345 -0.181 0.000 1.373 447 W CB -0.712 28.618 29.460 -0.218 0.000 1.112 447 W HN 0.465 nan 8.180 nan 0.000 0.545 448 G N 0.941 109.770 108.800 0.049 0.000 2.547 448 G HA2 -0.489 3.471 3.960 0.001 0.000 0.271 448 G HA3 -0.489 3.471 3.960 0.001 0.000 0.271 448 G C 0.898 175.793 174.900 -0.008 0.000 1.209 448 G CA 0.830 45.924 45.100 -0.010 0.000 0.959 448 G HN 0.225 nan 8.290 nan 0.000 0.563 449 K N 0.558 120.956 120.400 -0.004 0.000 2.113 449 K HA -0.152 4.169 4.320 0.001 0.000 0.208 449 K C 2.833 179.378 176.600 -0.092 0.000 1.047 449 K CA 2.700 58.968 56.287 -0.031 0.000 0.928 449 K CB -0.360 32.164 32.500 0.039 0.000 0.716 449 K HN 0.682 nan 8.250 nan 0.000 0.446 450 M N -0.926 118.666 119.600 -0.013 0.000 2.358 450 M HA -0.063 4.418 4.480 0.001 0.000 0.264 450 M C 0.589 176.809 176.300 -0.133 0.000 1.064 450 M CA 1.390 56.692 55.300 0.002 0.000 1.093 450 M CB 0.101 32.725 32.600 0.039 0.000 1.401 450 M HN -0.102 nan 8.290 nan 0.000 0.440 451 R N 1.532 121.870 120.500 -0.271 0.000 2.865 451 R HA 0.393 4.733 4.340 0.001 0.000 0.370 451 R C -0.616 175.274 176.300 -0.683 0.000 1.168 451 R CA -0.111 55.729 56.100 -0.433 0.000 1.058 451 R CB 0.242 30.215 30.300 -0.545 0.000 1.419 451 R HN 0.277 nan 8.270 nan 0.000 0.580 452 S N 0.485 115.599 115.700 -0.976 0.000 2.544 452 S HA -0.060 4.411 4.470 0.001 0.000 0.290 452 S C 0.173 174.001 174.600 -1.285 0.000 1.276 452 S CA 0.067 57.268 58.200 -1.665 0.000 1.075 452 S CB 0.032 62.306 63.200 -1.544 0.000 0.849 452 S HN 0.604 nan 8.310 nan 0.000 0.494 453 W N 0.668 120.991 121.300 -1.627 0.000 2.869 453 W HA -0.289 4.371 4.660 0.001 0.000 0.285 453 W C 0.848 177.173 176.519 -0.323 0.000 1.098 453 W CA 0.198 57.164 57.345 -0.631 0.000 0.571 453 W CB -2.056 27.224 29.460 -0.300 0.000 2.131 453 W HN 0.616 nan 8.180 nan 0.000 1.367 454 M N -0.444 118.996 119.600 -0.267 0.000 2.313 454 M HA 0.331 4.811 4.480 0.001 0.000 0.273 454 M C 1.432 177.641 176.300 -0.151 0.000 1.049 454 M CA 0.431 55.739 55.300 0.014 0.000 1.004 454 M CB 0.263 32.891 32.600 0.048 0.000 1.461 454 M HN 0.095 nan 8.290 nan 0.000 0.514 455 A N 0.211 122.792 122.820 -0.398 0.000 2.498 455 A HA 0.319 4.640 4.320 0.001 0.000 0.239 455 A C 0.083 177.127 177.584 -0.900 0.000 1.068 455 A CA 0.224 51.680 52.037 -0.968 0.000 0.766 455 A CB -0.414 17.821 19.000 -1.275 0.000 1.003 455 A HN 0.618 nan 8.150 nan 0.000 0.497 456 F N -0.769 118.480 119.950 -1.169 0.000 2.619 456 F HA -0.208 4.320 4.527 0.001 0.000 0.425 456 F C 1.055 177.091 175.800 0.394 0.000 0.575 456 F CA 1.056 58.778 58.000 -0.463 0.000 1.289 456 F CB -2.502 36.428 39.000 -0.118 0.000 1.859 456 F HN 0.542 nan 8.300 nan 0.000 0.280 457 T N 1.187 116.041 114.554 0.500 0.000 2.901 457 T HA 0.481 4.831 4.350 0.001 0.000 0.301 457 T C 1.160 176.278 174.700 0.695 0.000 1.012 457 T CA 0.304 62.721 62.100 0.527 0.000 1.135 457 T CB 2.115 71.290 68.868 0.512 0.000 0.936 457 T HN 0.044 nan 8.240 nan 0.000 0.539 458 V N 1.769 121.934 119.914 0.419 0.000 3.204 458 V HA 0.463 4.584 4.120 0.001 0.000 0.218 458 V C 0.994 177.178 176.094 0.149 0.000 1.159 458 V CA 0.067 62.571 62.300 0.339 0.000 1.282 458 V CB -0.428 31.514 31.823 0.197 0.000 1.225 458 V HN 0.922 nan 8.190 nan 0.000 0.509 459 A N 0.140 122.974 122.820 0.023 0.000 2.331 459 A HA 0.377 4.698 4.320 0.001 0.000 0.283 459 A C 0.048 177.484 177.584 -0.247 0.000 1.142 459 A CA -0.163 51.821 52.037 -0.089 0.000 0.812 459 A CB -0.270 18.690 19.000 -0.065 0.000 1.074 459 A HN 0.580 nan 8.150 nan 0.000 0.497 460 H N 2.152 120.864 119.070 -0.598 0.000 3.070 460 H HA 0.166 4.722 4.556 0.001 0.000 0.313 460 H C 1.210 176.221 175.328 -0.527 0.000 0.997 460 H CA 1.564 57.077 56.048 -0.892 0.000 1.438 460 H CB 0.374 29.159 29.762 -1.629 0.000 1.455 460 H HN 1.413 nan 8.280 nan 0.000 0.575 461 A N 4.436 126.757 122.820 -0.831 0.000 2.979 461 A HA -0.207 4.114 4.320 0.001 0.000 0.260 461 A C 0.318 177.706 177.584 -0.328 0.000 1.282 461 A CA 1.144 52.866 52.037 -0.525 0.000 0.971 461 A CB -1.874 16.894 19.000 -0.386 0.000 1.124 461 A HN 0.639 nan 8.150 nan 0.000 0.826 462 L N 0.819 121.838 121.223 -0.340 0.000 2.732 462 L HA 0.305 4.646 4.340 0.001 0.000 0.246 462 L C -1.980 174.741 176.870 -0.247 0.000 1.407 462 L CA -1.618 53.086 54.840 -0.227 0.000 0.861 462 L CB 1.003 42.973 42.059 -0.147 0.000 1.161 462 L HN 0.251 nan 8.230 nan 0.000 0.510 463 P HA 0.119 nan 4.420 nan 0.000 0.269 463 P C -0.995 176.249 177.300 -0.093 0.000 1.215 463 P CA -0.002 62.937 63.100 -0.269 0.000 0.780 463 P CB 1.045 32.541 31.700 -0.340 0.000 0.898 464 N N -0.020 118.676 118.700 -0.006 0.000 3.167 464 N HA 0.196 4.936 4.740 0.001 0.000 0.323 464 N C 0.832 176.369 175.510 0.045 0.000 1.478 464 N CA -0.955 52.078 53.050 -0.029 0.000 0.753 464 N CB 0.495 38.960 38.487 -0.036 0.000 1.721 464 N HN 0.258 nan 8.380 nan 0.000 0.618 465 K N -0.759 119.633 120.400 -0.013 0.000 2.074 465 K HA -0.231 4.089 4.320 0.001 0.000 0.209 465 K C 1.079 177.843 176.600 0.273 0.000 1.048 465 K CA 1.966 58.299 56.287 0.076 0.000 0.926 465 K CB -0.094 32.419 32.500 0.022 0.000 0.713 465 K HN 0.517 nan 8.250 nan 0.000 0.444 466 Q N -0.677 119.212 119.800 0.148 0.000 2.311 466 Q HA -0.045 4.295 4.340 0.001 0.000 0.203 466 Q C 1.770 177.890 176.000 0.200 0.000 0.954 466 Q CA 1.672 57.549 55.803 0.122 0.000 0.885 466 Q CB 0.385 29.112 28.738 -0.018 0.000 0.963 466 Q HN 0.614 nan 8.270 nan 0.000 0.471 467 T N -3.587 111.121 114.554 0.257 0.000 2.969 467 T HA -0.008 4.343 4.350 0.001 0.000 0.250 467 T C 1.689 176.590 174.700 0.335 0.000 1.021 467 T CA 0.090 62.439 62.100 0.414 0.000 1.003 467 T CB -0.472 68.661 68.868 0.441 0.000 1.040 467 T HN 0.406 nan 8.240 nan 0.000 0.492 468 Y N 2.064 122.419 120.300 0.092 0.000 2.333 468 Y HA 0.153 4.704 4.550 0.001 0.000 0.290 468 Y C 2.168 178.067 175.900 -0.002 0.000 1.144 468 Y CA 0.741 58.889 58.100 0.079 0.000 1.228 468 Y CB -0.693 37.794 38.460 0.045 0.000 0.985 468 Y HN 0.151 nan 8.280 nan 0.000 0.542 469 S N -0.107 115.091 115.700 -0.837 0.000 2.474 469 S HA -0.105 4.366 4.470 0.001 0.000 0.235 469 S C 0.868 174.992 174.600 -0.794 0.000 0.997 469 S CA 1.354 59.003 58.200 -0.918 0.000 0.949 469 S CB -0.426 62.177 63.200 -0.996 0.000 0.766 469 S HN 0.635 nan 8.310 nan 0.000 0.517 470 Y N -1.781 118.303 120.300 -0.359 0.000 2.559 470 Y HA 0.270 4.820 4.550 0.001 0.000 0.279 470 Y C 1.951 177.456 175.900 -0.658 0.000 1.117 470 Y CA -0.717 56.926 58.100 -0.761 0.000 1.263 470 Y CB -0.839 36.758 38.460 -1.438 0.000 1.230 470 Y HN 0.189 nan 8.280 nan 0.000 0.528 471 Y N 1.139 121.300 120.300 -0.231 0.000 2.207 471 Y HA -0.165 4.386 4.550 0.001 0.000 0.287 471 Y C 2.439 178.374 175.900 0.058 0.000 1.156 471 Y CA 1.548 59.682 58.100 0.057 0.000 1.182 471 Y CB -0.686 37.865 38.460 0.152 0.000 0.979 471 Y HN 0.125 nan 8.280 nan 0.000 0.521 472 G N 0.340 109.200 108.800 0.100 0.000 2.475 472 G HA2 -0.292 3.669 3.960 0.001 0.000 0.220 472 G HA3 -0.292 3.669 3.960 0.001 0.000 0.220 472 G C 1.689 176.607 174.900 0.031 0.000 1.125 472 G CA 1.413 46.561 45.100 0.081 0.000 0.755 472 G HN 0.520 nan 8.290 nan 0.000 0.565 473 I N -0.118 120.437 120.570 -0.026 0.000 2.099 473 I HA -0.174 3.996 4.170 0.001 0.000 0.239 473 I C 2.587 178.735 176.117 0.052 0.000 1.066 473 I CA 0.698 62.003 61.300 0.008 0.000 1.324 473 I CB -0.350 37.656 38.000 0.011 0.000 1.037 473 I HN 0.073 nan 8.210 nan 0.000 0.401 474 L N 0.463 121.723 121.223 0.062 0.000 2.046 474 L HA -0.210 4.130 4.340 0.001 0.000 0.208 474 L C 2.515 179.429 176.870 0.073 0.000 1.077 474 L CA 1.736 56.663 54.840 0.145 0.000 0.747 474 L CB -0.882 41.266 42.059 0.147 0.000 0.896 474 L HN 0.230 nan 8.230 nan 0.000 0.432 475 E N -0.611 119.484 120.200 -0.175 0.000 2.051 475 E HA -0.165 4.186 4.350 0.001 0.000 0.192 475 E C 2.293 178.801 176.600 -0.153 0.000 0.991 475 E CA 1.656 57.880 56.400 -0.293 0.000 0.799 475 E CB -0.169 29.282 29.700 -0.414 0.000 0.748 475 E HN 0.353 nan 8.360 nan 0.000 0.449 476 S N 0.161 115.928 115.700 0.111 0.000 2.365 476 S HA -0.168 4.303 4.470 0.001 0.000 0.225 476 S C 1.933 176.612 174.600 0.132 0.000 1.039 476 S CA 1.423 59.754 58.200 0.218 0.000 1.033 476 S CB -0.420 62.893 63.200 0.187 0.000 0.887 476 S HN 0.281 nan 8.310 nan 0.000 0.447 477 L N 1.804 123.113 121.223 0.143 0.000 2.141 477 L HA -0.104 4.237 4.340 0.001 0.000 0.209 477 L C 2.736 179.749 176.870 0.240 0.000 1.094 477 L CA 1.252 56.210 54.840 0.198 0.000 0.763 477 L CB -0.822 41.370 42.059 0.220 0.000 0.908 477 L HN 0.449 nan 8.230 nan 0.000 0.437 478 S N -0.264 115.514 115.700 0.130 0.000 2.400 478 S HA -0.133 4.337 4.470 0.001 0.000 0.232 478 S C 1.665 176.158 174.600 -0.179 0.000 1.025 478 S CA 1.230 59.294 58.200 -0.226 0.000 0.993 478 S CB -0.565 62.383 63.200 -0.419 0.000 0.808 478 S HN 0.437 nan 8.310 nan 0.000 0.478 479 G N 0.210 108.959 108.800 -0.084 0.000 3.651 479 G HA2 0.465 4.426 3.960 0.001 0.000 0.279 479 G HA3 0.465 4.426 3.960 0.001 0.000 0.279 479 G C -0.097 174.801 174.900 -0.003 0.000 1.024 479 G CA -0.516 44.544 45.100 -0.066 0.000 0.813 479 G HN 0.482 nan 8.290 nan 0.000 0.518 480 M N 1.186 120.812 119.600 0.043 0.000 2.342 480 M HA 0.363 4.843 4.480 0.001 0.000 0.332 480 M C 1.161 177.499 176.300 0.064 0.000 1.166 480 M CA -0.930 54.413 55.300 0.073 0.000 1.086 480 M CB 1.060 33.724 32.600 0.106 0.000 1.541 480 M HN 0.181 nan 8.290 nan 0.000 0.462 481 R N 2.618 123.166 120.500 0.079 0.000 4.160 481 R HA 0.234 4.574 4.340 0.001 0.000 0.216 481 R C -0.796 175.552 176.300 0.080 0.000 2.009 481 R CA -0.332 55.808 56.100 0.067 0.000 1.664 481 R CB -1.463 28.889 30.300 0.087 0.000 1.216 481 R HN 0.434 nan 8.270 nan 0.000 0.648 482 V N -2.896 117.051 119.914 0.055 0.000 3.126 482 V HA 0.496 4.616 4.120 0.001 0.000 0.314 482 V C -0.834 175.278 176.094 0.031 0.000 1.138 482 V CA -1.494 60.816 62.300 0.017 0.000 1.034 482 V CB 2.217 34.027 31.823 -0.022 0.000 1.075 482 V HN 0.182 nan 8.190 nan 0.000 0.442 483 N N 1.066 119.773 118.700 0.011 0.000 2.426 483 N HA 0.557 5.297 4.740 0.001 0.000 0.257 483 N C -0.824 174.682 175.510 -0.007 0.000 1.002 483 N CA -0.153 52.913 53.050 0.028 0.000 0.942 483 N CB 1.736 40.234 38.487 0.018 0.000 1.112 483 N HN 0.628 nan 8.380 nan 0.000 0.499 484 V N 3.258 123.189 119.914 0.027 0.000 2.435 484 V HA 0.502 4.622 4.120 0.001 0.000 0.290 484 V C 0.492 176.453 176.094 -0.223 0.000 1.030 484 V CA -0.759 61.454 62.300 -0.145 0.000 0.881 484 V CB 1.314 33.063 31.823 -0.122 0.000 0.983 484 V HN 0.658 nan 8.190 nan 0.000 0.445 485 R N 3.200 123.451 120.500 -0.415 0.000 2.912 485 R HA 0.762 5.103 4.340 0.001 0.000 0.262 485 R C -1.838 174.005 176.300 -0.761 0.000 1.057 485 R CA -0.754 55.131 56.100 -0.359 0.000 0.981 485 R CB 1.806 32.008 30.300 -0.164 0.000 1.201 485 R HN 0.378 nan 8.270 nan 0.000 0.484 486 F N 1.786 121.560 119.950 -0.293 0.000 2.477 486 F HA 0.503 5.030 4.527 0.001 0.000 0.335 486 F C 0.107 175.767 175.800 -0.234 0.000 1.130 486 F CA -0.886 56.927 58.000 -0.312 0.000 0.948 486 F CB 1.834 40.600 39.000 -0.391 0.000 1.154 486 F HN 0.457 nan 8.300 nan 0.000 0.439 487 I N -0.232 120.251 120.570 -0.145 0.000 2.892 487 I HA 0.868 5.038 4.170 0.001 0.000 0.306 487 I C -0.449 175.520 176.117 -0.247 0.000 1.078 487 I CA -0.840 60.361 61.300 -0.165 0.000 1.032 487 I CB 2.304 40.185 38.000 -0.198 0.000 1.229 487 I HN 0.493 nan 8.210 nan 0.000 0.435 488 S N 2.156 117.711 115.700 -0.243 0.000 2.704 488 S HA 0.538 5.009 4.470 0.001 0.000 0.305 488 S C 0.391 174.743 174.600 -0.412 0.000 1.107 488 S CA -0.611 57.377 58.200 -0.353 0.000 0.993 488 S CB 1.279 64.369 63.200 -0.183 0.000 1.110 488 S HN 0.595 nan 8.310 nan 0.000 0.534 489 F N 1.041 120.864 119.950 -0.212 0.000 2.216 489 F HA -0.006 4.521 4.527 0.001 0.000 0.300 489 F C 2.135 177.793 175.800 -0.238 0.000 1.085 489 F CA 1.078 58.912 58.000 -0.277 0.000 1.326 489 F CB -0.651 38.126 39.000 -0.371 0.000 1.027 489 F HN 0.524 nan 8.300 nan 0.000 0.497 490 D N 0.393 120.765 120.400 -0.046 0.000 2.097 490 D HA -0.165 4.475 4.640 0.001 0.000 0.195 490 D C 1.793 178.023 176.300 -0.116 0.000 0.989 490 D CA 1.544 55.492 54.000 -0.087 0.000 0.827 490 D CB -0.490 40.265 40.800 -0.075 0.000 0.966 490 D HN 0.233 nan 8.370 nan 0.000 0.456 491 D N 0.557 120.904 120.400 -0.090 0.000 2.106 491 D HA -0.121 4.520 4.640 0.001 0.000 0.191 491 D C 2.364 178.615 176.300 -0.082 0.000 0.997 491 D CA 0.605 54.584 54.000 -0.036 0.000 0.834 491 D CB -0.497 40.286 40.800 -0.027 0.000 0.956 491 D HN 0.068 nan 8.370 nan 0.000 0.448 492 V N 1.008 120.851 119.914 -0.118 0.000 2.343 492 V HA -0.209 3.911 4.120 0.001 0.000 0.247 492 V C 2.641 178.660 176.094 -0.125 0.000 1.051 492 V CA 1.162 63.388 62.300 -0.123 0.000 1.036 492 V CB -0.435 31.304 31.823 -0.141 0.000 0.654 492 V HN 0.177 nan 8.190 nan 0.000 0.451 493 L N -0.233 120.906 121.223 -0.139 0.000 2.109 493 L HA -0.079 4.261 4.340 0.001 0.000 0.207 493 L C 2.610 179.364 176.870 -0.194 0.000 1.086 493 L CA 1.409 56.160 54.840 -0.148 0.000 0.760 493 L CB -0.626 41.346 42.059 -0.145 0.000 0.910 493 L HN 0.347 nan 8.230 nan 0.000 0.437 494 A N -1.214 121.421 122.820 -0.309 0.000 1.930 494 A HA -0.112 4.208 4.320 0.001 0.000 0.215 494 A C 1.691 178.922 177.584 -0.588 0.000 1.176 494 A CA 1.062 52.776 52.037 -0.538 0.000 0.632 494 A CB -0.276 18.232 19.000 -0.821 0.000 0.819 494 A HN 0.476 nan 8.150 nan 0.000 0.445 495 H N -1.690 117.349 119.070 -0.053 0.000 3.233 495 H HA 0.352 4.909 4.556 0.001 0.000 0.263 495 H C 1.286 176.582 175.328 -0.054 0.000 1.168 495 H CA 0.222 56.242 56.048 -0.047 0.000 1.159 495 H CB -0.129 29.605 29.762 -0.047 0.000 1.593 495 H HN 0.630 nan 8.280 nan 0.000 0.580 496 G N 1.755 110.554 108.800 -0.002 0.000 2.645 496 G HA2 -0.282 3.679 3.960 0.001 0.000 0.239 496 G HA3 -0.282 3.679 3.960 0.001 0.000 0.239 496 G C -0.352 174.497 174.900 -0.084 0.000 1.331 496 G CA -0.221 44.859 45.100 -0.032 0.000 0.890 496 G HN 0.217 nan 8.290 nan 0.000 0.572 497 I N 1.265 121.746 120.570 -0.147 0.000 2.339 497 I HA 0.248 4.418 4.170 0.001 0.000 0.290 497 I C -0.200 175.809 176.117 -0.180 0.000 0.994 497 I CA -0.695 60.422 61.300 -0.304 0.000 1.191 497 I CB 1.442 38.999 38.000 -0.739 0.000 1.343 497 I HN 0.345 nan 8.210 nan 0.000 0.458 498 D N 3.699 124.015 120.400 -0.140 0.000 2.525 498 D HA -0.049 4.592 4.640 0.001 0.000 0.235 498 D C 1.326 177.632 176.300 0.009 0.000 1.137 498 D CA 0.300 54.267 54.000 -0.054 0.000 0.868 498 D CB 1.011 41.778 40.800 -0.055 0.000 1.180 498 D HN 0.628 nan 8.370 nan 0.000 0.465 499 S N 1.190 116.924 115.700 0.056 0.000 2.507 499 S HA -0.172 4.299 4.470 0.001 0.000 0.235 499 S C 1.050 175.720 174.600 0.117 0.000 0.988 499 S CA 0.599 58.870 58.200 0.119 0.000 0.944 499 S CB 0.022 63.277 63.200 0.092 0.000 0.762 499 S HN 0.534 nan 8.310 nan 0.000 0.526 500 D N 1.039 121.482 120.400 0.073 0.000 2.349 500 D HA 0.091 4.731 4.640 0.001 0.000 0.215 500 D C 0.462 176.812 176.300 0.083 0.000 1.016 500 D CA -0.248 53.792 54.000 0.067 0.000 0.870 500 D CB -0.535 40.287 40.800 0.037 0.000 0.917 500 D HN 0.464 nan 8.370 nan 0.000 0.524 501 I N 1.671 122.303 120.570 0.104 0.000 2.496 501 I HA -0.015 4.155 4.170 0.001 0.000 0.285 501 I C 0.988 177.284 176.117 0.299 0.000 1.080 501 I CA -0.157 61.215 61.300 0.119 0.000 1.404 501 I CB 0.997 38.991 38.000 -0.011 0.000 1.403 501 I HN -0.209 nan 8.210 nan 0.000 0.539 502 D N 4.715 125.238 120.400 0.205 0.000 2.259 502 D HA 0.091 4.732 4.640 0.001 0.000 0.216 502 D C 0.095 176.568 176.300 0.289 0.000 0.961 502 D CA 1.216 55.333 54.000 0.195 0.000 0.878 502 D CB 0.650 41.478 40.800 0.047 0.000 1.009 502 D HN 0.197 nan 8.370 nan 0.000 0.490 503 V N 1.628 121.690 119.914 0.247 0.000 2.686 503 V HA 0.374 4.495 4.120 0.001 0.000 0.306 503 V C -0.336 175.850 176.094 0.153 0.000 1.065 503 V CA -0.734 61.707 62.300 0.235 0.000 0.894 503 V CB 2.815 34.671 31.823 0.055 0.000 1.004 503 V HN -0.080 nan 8.190 nan 0.000 0.424 504 I N 4.958 125.648 120.570 0.200 0.000 2.377 504 I HA 0.517 4.688 4.170 0.001 0.000 0.293 504 I C -0.658 175.363 176.117 -0.160 0.000 0.987 504 I CA -0.429 60.866 61.300 -0.008 0.000 1.185 504 I CB 1.770 39.795 38.000 0.041 0.000 1.341 504 I HN 0.444 nan 8.210 nan 0.000 0.455 505 I N 6.358 126.792 120.570 -0.227 0.000 2.404 505 I HA 0.325 4.495 4.170 0.001 0.000 0.293 505 I C -0.205 175.760 176.117 -0.253 0.000 0.992 505 I CA -0.450 60.666 61.300 -0.307 0.000 1.149 505 I CB 1.463 39.340 38.000 -0.205 0.000 1.315 505 I HN 0.573 nan 8.210 nan 0.000 0.446 506 N N 4.757 123.258 118.700 -0.333 0.000 2.399 506 N HA 0.614 5.355 4.740 0.001 0.000 0.284 506 N C -1.138 174.342 175.510 -0.051 0.000 1.025 506 N CA -0.230 52.784 53.050 -0.061 0.000 0.885 506 N CB 2.330 40.932 38.487 0.192 0.000 1.339 506 N HN 0.840 nan 8.380 nan 0.000 0.487 507 G N 0.810 109.660 108.800 0.084 0.000 2.667 507 G HA2 0.769 4.730 3.960 0.001 0.000 0.298 507 G HA3 0.769 4.730 3.960 0.001 0.000 0.298 507 G C -0.609 174.348 174.900 0.094 0.000 1.377 507 G CA -0.251 44.907 45.100 0.097 0.000 0.964 507 G HN 0.789 nan 8.290 nan 0.000 0.493 508 G N 0.814 109.454 108.800 -0.267 0.000 2.359 508 G HA2 0.446 4.407 3.960 0.001 0.000 0.303 508 G HA3 0.446 4.407 3.960 0.001 0.000 0.303 508 G C -3.504 171.175 174.900 -0.367 0.000 1.293 508 G CA -0.459 44.191 45.100 -0.751 0.000 0.964 508 G HN 0.686 nan 8.290 nan 0.000 0.531 509 P HA 0.489 nan 4.420 nan 0.000 0.278 509 P C 0.477 177.887 177.300 0.183 0.000 1.258 509 P CA -0.544 62.667 63.100 0.184 0.000 0.811 509 P CB 1.334 33.231 31.700 0.329 0.000 1.063 510 V N 1.231 121.278 119.914 0.221 0.000 2.901 510 V HA -0.036 4.085 4.120 0.001 0.000 0.307 510 V C 0.450 176.643 176.094 0.165 0.000 1.084 510 V CA 1.089 63.487 62.300 0.164 0.000 1.184 510 V CB -1.069 30.933 31.823 0.298 0.000 0.941 510 V HN 0.734 nan 8.190 nan 0.000 0.493 511 D N 2.003 122.463 120.400 0.100 0.000 2.800 511 D HA -0.135 4.506 4.640 0.001 0.000 0.232 511 D C 0.058 176.417 176.300 0.098 0.000 1.137 511 D CA 1.451 55.502 54.000 0.085 0.000 0.718 511 D CB -0.953 39.913 40.800 0.110 0.000 1.084 511 D HN 1.173 nan 8.370 nan 0.000 0.432 512 T N -5.318 109.289 114.554 0.089 0.000 2.916 512 T HA 0.773 5.123 4.350 0.001 0.000 0.292 512 T C 1.421 176.037 174.700 -0.140 0.000 1.064 512 T CA -0.339 61.797 62.100 0.059 0.000 1.011 512 T CB 1.835 70.854 68.868 0.251 0.000 1.152 512 T HN 0.017 nan 8.240 nan 0.000 0.510 513 A N 0.174 122.755 122.820 -0.398 0.000 2.024 513 A HA 0.098 4.418 4.320 0.001 0.000 0.220 513 A C 1.576 178.786 177.584 -0.622 0.000 1.164 513 A CA 1.244 52.889 52.037 -0.654 0.000 0.643 513 A CB -1.127 17.329 19.000 -0.906 0.000 0.806 513 A HN 0.748 nan 8.150 nan 0.000 0.451 514 F N 0.279 120.160 119.950 -0.115 0.000 2.335 514 F HA -0.012 4.516 4.527 0.001 0.000 0.296 514 F C 2.756 178.589 175.800 0.056 0.000 1.091 514 F CA 1.436 59.342 58.000 -0.158 0.000 1.399 514 F CB -0.983 37.770 39.000 -0.411 0.000 1.067 514 F HN 0.319 nan 8.300 nan 0.000 0.520 515 T N -3.594 111.091 114.554 0.219 0.000 2.901 515 T HA 0.443 4.793 4.350 0.001 0.000 0.252 515 T C 1.926 176.919 174.700 0.489 0.000 1.035 515 T CA 1.045 63.320 62.100 0.292 0.000 1.142 515 T CB -0.145 68.796 68.868 0.122 0.000 0.869 515 T HN 0.357 nan 8.240 nan 0.000 0.442 516 G N 0.215 109.136 108.800 0.202 0.000 2.485 516 G HA2 0.357 4.318 3.960 0.001 0.000 0.181 516 G HA3 0.357 4.318 3.960 0.001 0.000 0.181 516 G C 0.941 175.700 174.900 -0.235 0.000 0.999 516 G CA 0.368 45.417 45.100 -0.085 0.000 0.721 516 G HN 1.475 nan 8.290 nan 0.000 0.486 517 G N 0.714 109.479 108.800 -0.057 0.000 2.528 517 G HA2 -0.236 3.724 3.960 0.001 0.000 0.262 517 G HA3 -0.236 3.724 3.960 0.001 0.000 0.262 517 G C 0.411 175.229 174.900 -0.136 0.000 1.200 517 G CA 0.810 45.858 45.100 -0.088 0.000 0.951 517 G HN 0.635 nan 8.290 nan 0.000 0.566 518 D N 0.170 120.459 120.400 -0.184 0.000 2.392 518 D HA 0.068 4.709 4.640 0.001 0.000 0.228 518 D C 2.353 178.447 176.300 -0.342 0.000 1.003 518 D CA 0.856 54.720 54.000 -0.227 0.000 0.917 518 D CB 0.049 40.736 40.800 -0.188 0.000 0.890 518 D HN 0.397 nan 8.370 nan 0.000 0.532 519 V N -0.499 119.133 119.914 -0.470 0.000 2.453 519 V HA -0.227 3.893 4.120 0.001 0.000 0.252 519 V C 1.351 177.021 176.094 -0.707 0.000 1.068 519 V CA 1.482 63.372 62.300 -0.684 0.000 1.070 519 V CB -0.425 30.738 31.823 -1.101 0.000 0.664 519 V HN 0.331 nan 8.190 nan 0.000 0.461 520 W N 0.123 121.142 121.300 -0.469 0.000 2.961 520 W HA -0.011 4.650 4.660 0.001 0.000 0.240 520 W C 2.325 178.608 176.519 -0.394 0.000 1.305 520 W CA 0.941 58.066 57.345 -0.368 0.000 1.465 520 W CB -0.374 28.910 29.460 -0.295 0.000 1.135 520 W HN 0.438 nan 8.180 nan 0.000 0.688 521 T N -2.998 111.320 114.554 -0.394 0.000 3.107 521 T HA 0.017 4.367 4.350 0.001 0.000 0.249 521 T C 0.688 175.120 174.700 -0.446 0.000 1.096 521 T CA -0.206 61.425 62.100 -0.782 0.000 1.012 521 T CB -0.315 67.754 68.868 -1.332 0.000 0.977 521 T HN -0.132 nan 8.240 nan 0.000 0.527 522 N N 3.309 121.816 118.700 -0.321 0.000 2.405 522 N HA 0.162 4.903 4.740 0.001 0.000 0.260 522 N C -1.459 173.966 175.510 -0.141 0.000 1.152 522 N CA -2.054 50.859 53.050 -0.228 0.000 0.948 522 N CB 1.727 40.051 38.487 -0.271 0.000 1.111 522 N HN 0.114 nan 8.380 nan 0.000 0.485 523 P HA -0.176 nan 4.420 nan 0.000 0.218 523 P C 1.068 178.353 177.300 -0.025 0.000 1.148 523 P CA 1.161 64.253 63.100 -0.013 0.000 0.822 523 P CB 0.443 32.153 31.700 0.016 0.000 0.784 524 K N -0.259 120.107 120.400 -0.056 0.000 2.147 524 K HA -0.139 4.182 4.320 0.001 0.000 0.205 524 K C 2.108 178.668 176.600 -0.067 0.000 1.049 524 K CA 0.789 57.043 56.287 -0.054 0.000 0.936 524 K CB -0.530 31.929 32.500 -0.068 0.000 0.722 524 K HN -0.020 nan 8.250 nan 0.000 0.446 525 L N 0.836 121.987 121.223 -0.121 0.000 2.027 525 L HA -0.116 4.225 4.340 0.001 0.000 0.206 525 L C 1.982 178.826 176.870 -0.045 0.000 1.074 525 L CA 1.371 56.116 54.840 -0.158 0.000 0.745 525 L CB -0.415 41.419 42.059 -0.375 0.000 0.898 525 L HN -0.031 nan 8.230 nan 0.000 0.433 526 V N 0.011 119.937 119.914 0.019 0.000 2.295 526 V HA -0.295 3.825 4.120 0.001 0.000 0.246 526 V C 2.530 178.671 176.094 0.079 0.000 1.049 526 V CA 2.101 64.467 62.300 0.110 0.000 1.024 526 V CB -0.625 31.268 31.823 0.118 0.000 0.648 526 V HN 0.519 nan 8.190 nan 0.000 0.447 527 E N -0.244 119.989 120.200 0.055 0.000 2.085 527 E HA -0.211 4.139 4.350 0.001 0.000 0.194 527 E C 2.269 178.915 176.600 0.077 0.000 0.994 527 E CA 1.941 58.378 56.400 0.062 0.000 0.801 527 E CB -0.335 29.389 29.700 0.039 0.000 0.743 527 E HN 0.586 nan 8.360 nan 0.000 0.453 528 T N 0.568 115.155 114.554 0.054 0.000 2.737 528 T HA -0.115 4.235 4.350 0.001 0.000 0.265 528 T C 2.104 176.881 174.700 0.128 0.000 1.038 528 T CA 1.167 63.306 62.100 0.065 0.000 1.144 528 T CB -0.176 68.694 68.868 0.004 0.000 0.866 528 T HN -0.025 nan 8.240 nan 0.000 0.434 529 V N 1.320 121.301 119.914 0.113 0.000 2.358 529 V HA -0.119 4.001 4.120 0.001 0.000 0.246 529 V C 2.626 178.835 176.094 0.191 0.000 1.047 529 V CA 1.496 63.894 62.300 0.165 0.000 1.035 529 V CB -0.565 31.314 31.823 0.092 0.000 0.658 529 V HN 0.346 nan 8.190 nan 0.000 0.452 530 R N 0.219 120.793 120.500 0.124 0.000 2.073 530 R HA -0.126 4.215 4.340 0.001 0.000 0.234 530 R C 2.491 178.948 176.300 0.263 0.000 1.134 530 R CA 1.560 57.764 56.100 0.173 0.000 0.952 530 R CB -0.676 29.738 30.300 0.189 0.000 0.850 530 R HN 0.522 nan 8.270 nan 0.000 0.433 531 A N 0.345 123.288 122.820 0.207 0.000 1.908 531 A HA -0.220 4.100 4.320 0.001 0.000 0.218 531 A C 1.903 179.615 177.584 0.213 0.000 1.181 531 A CA 1.382 53.527 52.037 0.179 0.000 0.627 531 A CB -0.848 18.235 19.000 0.138 0.000 0.818 531 A HN 0.639 nan 8.150 nan 0.000 0.445 532 W N 0.514 121.858 121.300 0.073 0.000 2.381 532 W HA -0.138 4.523 4.660 0.001 0.000 0.301 532 W C 1.931 178.506 176.519 0.094 0.000 1.205 532 W CA 2.092 59.479 57.345 0.070 0.000 1.285 532 W CB -0.303 29.192 29.460 0.059 0.000 1.133 532 W HN 0.092 nan 8.180 nan 0.000 0.521 533 V N 1.192 121.161 119.914 0.091 0.000 2.343 533 V HA -0.288 3.833 4.120 0.001 0.000 0.247 533 V C 2.395 178.501 176.094 0.019 0.000 1.051 533 V CA 2.300 64.546 62.300 -0.090 0.000 1.036 533 V CB -1.054 30.797 31.823 0.046 0.000 0.654 533 V HN 0.064 nan 8.190 nan 0.000 0.451 534 R N 1.063 121.674 120.500 0.185 0.000 2.127 534 R HA -0.116 4.224 4.340 0.001 0.000 0.238 534 R C 2.080 178.366 176.300 -0.024 0.000 1.134 534 R CA 1.524 57.682 56.100 0.097 0.000 0.975 534 R CB -0.994 29.335 30.300 0.048 0.000 0.865 534 R HN 0.527 nan 8.270 nan 0.000 0.447 535 G N -2.478 106.283 108.800 -0.065 0.000 2.920 535 G HA2 0.199 4.160 3.960 0.001 0.000 0.208 535 G HA3 0.199 4.160 3.960 0.001 0.000 0.208 535 G C 0.769 175.562 174.900 -0.178 0.000 1.159 535 G CA 0.474 45.511 45.100 -0.105 0.000 0.784 535 G HN 0.552 nan 8.290 nan 0.000 0.535 536 G N -1.644 107.012 108.800 -0.240 0.000 2.273 536 G HA2 0.065 4.026 3.960 0.001 0.000 0.162 536 G HA3 0.065 4.026 3.960 0.001 0.000 0.162 536 G C 0.741 175.392 174.900 -0.414 0.000 1.006 536 G CA 0.090 45.045 45.100 -0.243 0.000 0.704 536 G HN 0.873 nan 8.290 nan 0.000 0.487 537 G N 0.084 108.368 108.800 -0.860 0.000 2.699 537 G HA2 0.627 4.588 3.960 0.001 0.000 0.246 537 G HA3 0.627 4.588 3.960 0.001 0.000 0.246 537 G C 0.210 174.706 174.900 -0.672 0.000 1.219 537 G CA 0.707 44.858 45.100 -1.582 0.000 0.866 537 G HN 1.588 nan 8.290 nan 0.000 0.572 538 A N -0.141 122.451 122.820 -0.381 0.000 2.359 538 A HA 0.657 4.977 4.320 0.001 0.000 0.303 538 A C -1.446 176.343 177.584 0.342 0.000 1.066 538 A CA -0.571 51.493 52.037 0.045 0.000 0.730 538 A CB 1.304 20.332 19.000 0.047 0.000 1.211 538 A HN 0.906 nan 8.150 nan 0.000 0.439 539 F N 3.235 123.264 119.950 0.132 0.000 2.477 539 F HA 0.622 5.150 4.527 0.001 0.000 0.335 539 F C -1.067 174.775 175.800 0.069 0.000 1.130 539 F CA -0.630 57.460 58.000 0.150 0.000 0.948 539 F CB 1.867 40.943 39.000 0.126 0.000 1.154 539 F HN 0.327 nan 8.300 nan 0.000 0.439 540 V N 5.823 125.453 119.914 -0.473 0.000 2.357 540 V HA 0.630 4.751 4.120 0.001 0.000 0.284 540 V C 0.266 175.994 176.094 -0.609 0.000 1.018 540 V CA -0.564 61.528 62.300 -0.347 0.000 0.841 540 V CB 1.183 32.894 31.823 -0.186 0.000 0.991 540 V HN 0.954 nan 8.190 nan 0.000 0.437 541 G N 3.802 112.375 108.800 -0.379 0.000 2.372 541 G HA2 0.623 4.584 3.960 0.001 0.000 0.323 541 G HA3 0.623 4.584 3.960 0.001 0.000 0.323 541 G C -1.051 173.745 174.900 -0.174 0.000 1.152 541 G CA -0.414 44.515 45.100 -0.286 0.000 0.906 541 G HN 0.534 nan 8.290 nan 0.000 0.460 542 V N 2.437 122.263 119.914 -0.148 0.000 2.487 542 V HA 0.806 4.927 4.120 0.001 0.000 0.298 542 V C 1.104 177.240 176.094 0.070 0.000 1.028 542 V CA 0.713 62.944 62.300 -0.115 0.000 0.860 542 V CB 0.555 32.356 31.823 -0.035 0.000 0.991 542 V HN 1.618 nan 8.190 nan 0.000 0.427 543 G N 4.926 113.776 108.800 0.083 0.000 3.487 543 G HA2 -0.239 3.722 3.960 0.001 0.000 0.295 543 G HA3 -0.239 3.722 3.960 0.001 0.000 0.295 543 G C 0.182 175.253 174.900 0.284 0.000 1.454 543 G CA 0.472 45.771 45.100 0.332 0.000 1.039 543 G HN 0.713 nan 8.290 nan 0.000 0.624 544 E N 2.479 122.735 120.200 0.093 0.000 3.659 544 E HA 0.316 4.667 4.350 0.001 0.000 0.217 544 E C -2.603 173.668 176.600 -0.549 0.000 1.141 544 E CA -1.591 54.688 56.400 -0.201 0.000 1.340 544 E CB 1.896 31.744 29.700 0.247 0.000 1.295 544 E HN 0.425 nan 8.360 nan 0.000 0.434 545 P HA -0.093 nan 4.420 nan 0.000 0.268 545 P C 0.438 177.304 177.300 -0.723 0.000 1.205 545 P CA 0.485 63.294 63.100 -0.486 0.000 0.771 545 P CB 1.164 32.687 31.700 -0.294 0.000 0.858 546 S N 0.238 115.399 115.700 -0.898 0.000 3.445 546 S HA -0.198 4.272 4.470 0.001 0.000 0.319 546 S C 0.249 174.264 174.600 -0.974 0.000 1.209 546 S CA 0.934 58.018 58.200 -1.861 0.000 0.934 546 S CB -3.074 59.045 63.200 -1.801 0.000 0.999 546 S HN 0.785 nan 8.310 nan 0.000 0.582 547 S N 0.441 115.769 115.700 -0.621 0.000 2.549 547 S HA 0.709 5.180 4.470 0.001 0.000 0.279 547 S C 0.019 174.389 174.600 -0.384 0.000 1.321 547 S CA -0.193 57.673 58.200 -0.556 0.000 1.054 547 S CB 1.489 64.286 63.200 -0.671 0.000 0.899 547 S HN 1.931 nan 8.310 nan 0.000 0.497 548 A N 3.825 126.428 122.820 -0.361 0.000 2.446 548 A HA 0.701 5.022 4.320 0.001 0.000 0.282 548 A C -2.889 174.704 177.584 0.015 0.000 1.102 548 A CA -1.690 50.281 52.037 -0.111 0.000 0.737 548 A CB 1.125 20.100 19.000 -0.041 0.000 1.212 548 A HN 0.674 nan 8.150 nan 0.000 0.434 549 P HA 0.283 nan 4.420 nan 0.000 0.279 549 P C -0.089 177.367 177.300 0.262 0.000 1.239 549 P CA -0.091 63.205 63.100 0.327 0.000 0.789 549 P CB 0.670 32.562 31.700 0.319 0.000 0.933 550 R N -0.121 120.540 120.500 0.268 0.000 3.741 550 R HA -0.237 4.103 4.340 0.001 0.000 0.292 550 R C 0.621 177.046 176.300 0.208 0.000 1.176 550 R CA 0.482 56.694 56.100 0.187 0.000 0.794 550 R CB -2.491 27.892 30.300 0.137 0.000 1.213 550 R HN 0.461 nan 8.270 nan 0.000 0.494 551 F N 0.856 120.851 119.950 0.076 0.000 2.220 551 F HA 0.107 4.634 4.527 0.001 0.000 0.290 551 F C 0.881 176.708 175.800 0.045 0.000 1.080 551 F CA 1.227 59.255 58.000 0.047 0.000 1.318 551 F CB 0.469 39.490 39.000 0.036 0.000 1.063 551 F HN 0.006 nan 8.300 nan 0.000 0.498 552 Q N -0.068 119.700 119.800 -0.053 0.000 2.340 552 Q HA 0.218 4.559 4.340 0.001 0.000 0.268 552 Q C 0.715 176.711 176.000 -0.007 0.000 1.031 552 Q CA -0.188 55.532 55.803 -0.140 0.000 0.804 552 Q CB 2.023 30.713 28.738 -0.080 0.000 1.286 552 Q HN 0.027 nan 8.270 nan 0.000 0.448 553 T N 0.936 115.471 114.554 -0.031 0.000 2.788 553 T HA -0.128 4.223 4.350 0.001 0.000 0.268 553 T C 1.349 176.058 174.700 0.015 0.000 1.044 553 T CA 1.682 63.783 62.100 0.001 0.000 1.139 553 T CB 0.002 68.861 68.868 -0.015 0.000 0.867 553 T HN 0.829 nan 8.240 nan 0.000 0.454 554 G N 0.053 108.858 108.800 0.008 0.000 3.189 554 G HA2 0.284 4.245 3.960 0.001 0.000 0.225 554 G HA3 0.284 4.245 3.960 0.001 0.000 0.225 554 G C 0.358 175.284 174.900 0.043 0.000 1.159 554 G CA -0.350 44.761 45.100 0.018 0.000 0.763 554 G HN 0.161 nan 8.290 nan 0.000 0.549 555 R N -0.639 119.900 120.500 0.065 0.000 2.512 555 R HA 0.449 4.790 4.340 0.001 0.000 0.291 555 R C -0.897 175.501 176.300 0.162 0.000 1.097 555 R CA -1.220 54.926 56.100 0.077 0.000 0.940 555 R CB 0.393 30.729 30.300 0.060 0.000 1.198 555 R HN -0.040 nan 8.270 nan 0.000 0.429 556 F N 3.905 123.821 119.950 -0.057 0.000 2.298 556 F HA 0.407 4.934 4.527 0.001 0.000 0.282 556 F C -0.010 175.882 175.800 0.153 0.000 1.045 556 F CA 0.260 58.263 58.000 0.004 0.000 1.280 556 F CB 0.242 39.170 39.000 -0.119 0.000 1.114 556 F HN 0.371 nan 8.300 nan 0.000 0.546 557 F N 3.280 123.163 119.950 -0.111 0.000 2.494 557 F HA 0.148 4.676 4.527 0.001 0.000 0.369 557 F C 1.576 177.243 175.800 -0.221 0.000 1.098 557 F CA -0.829 57.010 58.000 -0.268 0.000 1.154 557 F CB -0.188 38.682 39.000 -0.216 0.000 1.103 557 F HN 0.176 nan 8.300 nan 0.000 0.549 558 Q N 2.736 122.478 119.800 -0.097 0.000 2.226 558 Q HA -0.067 4.273 4.340 0.001 0.000 0.204 558 Q C 1.442 177.390 176.000 -0.087 0.000 0.975 558 Q CA 1.094 56.874 55.803 -0.039 0.000 0.866 558 Q CB 0.044 28.795 28.738 0.023 0.000 0.915 558 Q HN 0.651 nan 8.270 nan 0.000 0.440 559 L N 0.475 121.557 121.223 -0.235 0.000 2.851 559 L HA 0.259 4.599 4.340 0.001 0.000 0.237 559 L C 1.596 178.378 176.870 -0.147 0.000 1.257 559 L CA -0.267 54.414 54.840 -0.265 0.000 1.061 559 L CB -0.260 41.461 42.059 -0.564 0.000 1.372 559 L HN 0.003 nan 8.230 nan 0.000 0.493 560 A N 0.921 123.719 122.820 -0.038 0.000 1.978 560 A HA -0.250 4.071 4.320 0.001 0.000 0.220 560 A C 2.061 179.619 177.584 -0.043 0.000 1.170 560 A CA 2.041 54.067 52.037 -0.018 0.000 0.636 560 A CB -0.281 18.676 19.000 -0.072 0.000 0.810 560 A HN 0.651 nan 8.150 nan 0.000 0.448 561 D N 0.064 120.451 120.400 -0.022 0.000 2.178 561 D HA -0.117 4.524 4.640 0.001 0.000 0.201 561 D C 1.765 178.089 176.300 0.041 0.000 0.980 561 D CA 1.623 55.661 54.000 0.064 0.000 0.842 561 D CB -0.867 40.031 40.800 0.164 0.000 0.948 561 D HN 0.273 nan 8.370 nan 0.000 0.472 562 V N 1.792 121.563 119.914 -0.238 0.000 2.283 562 V HA -0.154 3.966 4.120 0.001 0.000 0.243 562 V C 2.608 178.623 176.094 -0.132 0.000 1.039 562 V CA 1.727 63.700 62.300 -0.545 0.000 1.016 562 V CB -0.558 30.830 31.823 -0.725 0.000 0.650 562 V HN 0.377 nan 8.190 nan 0.000 0.449 563 I N -1.721 118.837 120.570 -0.020 0.000 3.728 563 I HA 0.442 4.612 4.170 0.001 0.000 0.307 563 I C 1.519 177.669 176.117 0.056 0.000 1.276 563 I CA 0.912 62.266 61.300 0.089 0.000 1.285 563 I CB -0.233 37.882 38.000 0.191 0.000 1.038 563 I HN 0.398 nan 8.210 nan 0.000 0.445 564 G N 1.605 110.410 108.800 0.008 0.000 2.162 564 G HA2 -0.209 3.752 3.960 0.001 0.000 0.260 564 G HA3 -0.209 3.752 3.960 0.001 0.000 0.260 564 G C 0.039 174.854 174.900 -0.141 0.000 0.976 564 G CA 0.236 45.317 45.100 -0.031 0.000 0.655 564 G HN 0.380 nan 8.290 nan 0.000 0.533 565 V N 0.037 119.833 119.914 -0.196 0.000 2.760 565 V HA 0.752 4.872 4.120 0.001 0.000 0.309 565 V C -0.629 175.169 176.094 -0.493 0.000 1.077 565 V CA -0.693 61.361 62.300 -0.410 0.000 0.910 565 V CB 2.130 33.655 31.823 -0.496 0.000 1.008 565 V HN 0.273 nan 8.190 nan 0.000 0.424 566 D N 1.586 121.431 120.400 -0.924 0.000 2.533 566 D HA 0.425 5.065 4.640 0.001 0.000 0.247 566 D C -0.979 174.581 176.300 -1.233 0.000 1.056 566 D CA -0.537 52.791 54.000 -1.120 0.000 1.054 566 D CB 2.591 42.900 40.800 -0.818 0.000 1.400 566 D HN 0.670 nan 8.370 nan 0.000 0.533 567 E N 1.036 120.510 120.200 -1.210 0.000 2.151 567 E HA 0.242 4.592 4.350 0.001 0.000 0.275 567 E C -0.924 175.478 176.600 -0.330 0.000 0.936 567 E CA -0.638 55.384 56.400 -0.630 0.000 0.777 567 E CB 1.123 30.523 29.700 -0.501 0.000 1.108 567 E HN 0.269 nan 8.360 nan 0.000 0.401 568 E N 3.552 123.678 120.200 -0.123 0.000 2.376 568 E HA -0.019 4.332 4.350 0.001 0.000 0.266 568 E C -0.240 176.070 176.600 -0.483 0.000 1.009 568 E CA 0.222 56.496 56.400 -0.210 0.000 0.902 568 E CB 0.575 30.120 29.700 -0.259 0.000 0.972 568 E HN 0.393 nan 8.360 nan 0.000 0.439 569 R N 4.036 124.276 120.500 -0.434 0.000 2.613 569 R HA 0.099 4.440 4.340 0.001 0.000 0.361 569 R C -0.407 175.802 176.300 -0.152 0.000 1.072 569 R CA -0.377 55.479 56.100 -0.405 0.000 1.089 569 R CB -0.523 29.534 30.300 -0.405 0.000 1.343 569 R HN 0.803 nan 8.270 nan 0.000 0.571 570 Y N -0.712 119.522 120.300 -0.111 0.000 4.841 570 Y HA -0.286 4.264 4.550 0.001 0.000 0.242 570 Y C 1.351 177.209 175.900 -0.071 0.000 1.002 570 Y CA 0.792 58.843 58.100 -0.082 0.000 2.011 570 Y CB -1.615 36.804 38.460 -0.068 0.000 1.554 570 Y HN 0.118 nan 8.280 nan 0.000 0.618 571 Q N -0.385 119.417 119.800 0.003 0.000 2.396 571 Q HA 0.159 4.499 4.340 0.001 0.000 0.209 571 Q C 1.476 177.455 176.000 -0.035 0.000 0.906 571 Q CA 1.392 57.192 55.803 -0.005 0.000 0.927 571 Q CB 0.250 28.983 28.738 -0.008 0.000 1.069 571 Q HN 0.678 nan 8.270 nan 0.000 0.523 572 T N -2.518 111.990 114.554 -0.077 0.000 3.331 572 T HA 0.384 4.734 4.350 0.001 0.000 0.282 572 T C 1.366 175.982 174.700 -0.139 0.000 1.010 572 T CA -0.224 61.814 62.100 -0.103 0.000 0.928 572 T CB -0.299 68.500 68.868 -0.114 0.000 1.154 572 T HN -0.005 nan 8.240 nan 0.000 0.516 573 L N 0.451 121.615 121.223 -0.099 0.000 2.275 573 L HA 0.002 4.343 4.340 0.001 0.000 0.215 573 L C 2.606 179.421 176.870 -0.092 0.000 1.119 573 L CA 0.692 55.474 54.840 -0.097 0.000 0.790 573 L CB -0.562 41.477 42.059 -0.034 0.000 0.919 573 L HN 0.335 nan 8.230 nan 0.000 0.443 574 S N -0.686 114.971 115.700 -0.073 0.000 2.447 574 S HA -0.027 4.443 4.470 0.001 0.000 0.233 574 S C 0.867 175.420 174.600 -0.079 0.000 1.006 574 S CA 0.316 58.479 58.200 -0.062 0.000 0.957 574 S CB -0.028 63.147 63.200 -0.042 0.000 0.773 574 S HN 0.090 nan 8.310 nan 0.000 0.507 575 V N 3.478 123.324 119.914 -0.114 0.000 2.368 575 V HA 0.176 4.296 4.120 0.001 0.000 0.266 575 V C 0.121 176.094 176.094 -0.202 0.000 1.045 575 V CA -0.854 61.368 62.300 -0.129 0.000 0.899 575 V CB 0.792 32.533 31.823 -0.136 0.000 1.006 575 V HN 0.257 nan 8.190 nan 0.000 0.470 576 D N 4.961 125.247 120.400 -0.190 0.000 2.455 576 D HA 0.122 4.763 4.640 0.001 0.000 0.241 576 D C -0.065 175.934 176.300 -0.501 0.000 1.138 576 D CA 0.058 53.846 54.000 -0.354 0.000 0.877 576 D CB 1.043 41.634 40.800 -0.349 0.000 1.187 576 D HN 0.328 nan 8.370 nan 0.000 0.451 577 K N 2.674 122.755 120.400 -0.532 0.000 2.213 577 K HA 0.280 4.600 4.320 0.001 0.000 0.270 577 K C -0.673 175.696 176.600 -0.384 0.000 1.002 577 K CA -0.654 55.409 56.287 -0.374 0.000 0.868 577 K CB 0.791 33.164 32.500 -0.211 0.000 1.093 577 K HN 0.317 nan 8.250 nan 0.000 0.454 578 Y N 2.105 122.491 120.300 0.143 0.000 2.334 578 Y HA 0.349 4.899 4.550 0.001 0.000 0.336 578 Y C -0.101 175.937 175.900 0.229 0.000 0.960 578 Y CA -0.794 57.415 58.100 0.182 0.000 1.164 578 Y CB 0.837 39.339 38.460 0.070 0.000 1.155 578 Y HN 0.390 nan 8.280 nan 0.000 0.478 579 F N 5.976 125.981 119.950 0.092 0.000 2.405 579 F HA 0.396 4.923 4.527 0.001 0.000 0.355 579 F C -1.833 173.943 175.800 -0.040 0.000 1.121 579 F CA -2.426 55.592 58.000 0.029 0.000 1.112 579 F CB 1.116 40.123 39.000 0.012 0.000 1.126 579 F HN 0.326 nan 8.300 nan 0.000 0.481 580 P HA 0.151 nan 4.420 nan 0.000 0.272 580 P C -2.687 174.563 177.300 -0.083 0.000 1.230 580 P CA -1.548 61.550 63.100 -0.003 0.000 0.788 580 P CB 0.039 31.748 31.700 0.015 0.000 0.949 581 P HA 0.011 nan 4.420 nan 0.000 0.266 581 P C -0.086 177.278 177.300 0.108 0.000 1.195 581 P CA 0.165 63.126 63.100 -0.232 0.000 0.768 581 P CB 0.198 31.857 31.700 -0.069 0.000 0.838 582 V N 4.115 124.229 119.914 0.334 0.000 2.843 582 V HA -0.005 4.116 4.120 0.001 0.000 0.305 582 V C 0.508 176.795 176.094 0.322 0.000 1.065 582 V CA 0.171 62.679 62.300 0.347 0.000 1.116 582 V CB 1.069 33.174 31.823 0.471 0.000 0.968 582 V HN 0.214 nan 8.190 nan 0.000 0.487 583 V N 7.703 127.731 119.914 0.190 0.000 2.277 583 V HA 0.238 4.358 4.120 0.001 0.000 0.269 583 V C -1.152 175.018 176.094 0.127 0.000 1.036 583 V CA -0.846 61.558 62.300 0.173 0.000 0.821 583 V CB 1.222 33.132 31.823 0.145 0.000 1.052 583 V HN 0.866 nan 8.190 nan 0.000 0.462 584 P HA 0.050 nan 4.420 nan 0.000 0.231 584 P C -0.019 177.297 177.300 0.028 0.000 1.168 584 P CA 0.605 63.708 63.100 0.006 0.000 0.779 584 P CB 0.582 32.273 31.700 -0.016 0.000 0.844 585 D N 0.422 120.875 120.400 0.088 0.000 2.464 585 D HA 0.236 4.876 4.640 0.001 0.000 0.243 585 D C -0.371 175.996 176.300 0.111 0.000 1.104 585 D CA 0.070 54.113 54.000 0.071 0.000 0.883 585 D CB 0.877 41.717 40.800 0.065 0.000 1.050 585 D HN 0.196 nan 8.370 nan 0.000 0.524 586 H N 1.333 120.385 119.070 -0.031 0.000 3.012 586 H HA 0.048 4.605 4.556 0.001 0.000 0.367 586 H C 0.096 175.390 175.328 -0.058 0.000 1.211 586 H CA -0.629 55.397 56.048 -0.037 0.000 1.139 586 H CB 1.642 31.354 29.762 -0.084 0.000 1.838 586 H HN 0.169 nan 8.280 nan 0.000 0.550 587 F N 3.390 123.013 119.950 -0.546 0.000 2.087 587 F HA -0.231 4.297 4.527 0.001 0.000 0.299 587 F C 1.904 177.611 175.800 -0.155 0.000 1.100 587 F CA 2.151 59.964 58.000 -0.313 0.000 1.226 587 F CB -0.261 38.557 39.000 -0.302 0.000 0.983 587 F HN 0.577 nan 8.300 nan 0.000 0.479 588 I N -0.212 120.437 120.570 0.131 0.000 2.286 588 I HA -0.281 3.890 4.170 0.001 0.000 0.248 588 I C 1.948 177.970 176.117 -0.159 0.000 1.115 588 I CA 1.885 63.157 61.300 -0.048 0.000 1.392 588 I CB -0.572 37.417 38.000 -0.018 0.000 1.065 588 I HN 0.321 nan 8.210 nan 0.000 0.418 589 T N -2.043 112.455 114.554 -0.093 0.000 3.145 589 T HA 0.380 4.731 4.350 0.001 0.000 0.255 589 T C 1.633 176.246 174.700 -0.145 0.000 1.039 589 T CA 0.296 62.327 62.100 -0.114 0.000 0.928 589 T CB 0.313 69.137 68.868 -0.073 0.000 1.029 589 T HN 0.228 nan 8.240 nan 0.000 0.554 590 A N 2.313 125.007 122.820 -0.210 0.000 1.986 590 A HA -0.130 4.190 4.320 0.001 0.000 0.220 590 A C 2.004 179.485 177.584 -0.172 0.000 1.171 590 A CA 1.603 53.520 52.037 -0.201 0.000 0.640 590 A CB -0.489 18.329 19.000 -0.302 0.000 0.811 590 A HN 0.451 nan 8.150 nan 0.000 0.451 591 D N -0.863 119.422 120.400 -0.192 0.000 2.339 591 D HA 0.160 4.800 4.640 0.001 0.000 0.217 591 D C 0.022 176.248 176.300 -0.123 0.000 1.050 591 D CA 0.113 54.026 54.000 -0.144 0.000 0.856 591 D CB 0.237 40.950 40.800 -0.143 0.000 0.922 591 D HN 0.155 nan 8.370 nan 0.000 0.518 592 V N 3.901 123.737 119.914 -0.130 0.000 2.470 592 V HA 0.145 4.265 4.120 0.001 0.000 0.276 592 V C -1.901 174.132 176.094 -0.103 0.000 1.040 592 V CA -1.050 61.174 62.300 -0.125 0.000 1.008 592 V CB 0.752 32.492 31.823 -0.137 0.000 0.990 592 V HN 0.016 nan 8.190 nan 0.000 0.477 593 P HA 0.400 nan 4.420 nan 0.000 0.293 593 P C -0.916 176.339 177.300 -0.076 0.000 1.300 593 P CA -0.285 62.771 63.100 -0.073 0.000 0.792 593 P CB 1.439 33.102 31.700 -0.062 0.000 0.925 594 V N 3.542 123.415 119.914 -0.069 0.000 2.459 594 V HA 0.152 4.273 4.120 0.001 0.000 0.295 594 V C 0.175 176.245 176.094 -0.040 0.000 1.029 594 V CA -0.739 61.521 62.300 -0.068 0.000 0.874 594 V CB 1.418 33.185 31.823 -0.093 0.000 0.985 594 V HN 0.505 nan 8.190 nan 0.000 0.438 595 D N 6.648 127.029 120.400 -0.031 0.000 2.531 595 D HA 0.038 4.679 4.640 0.001 0.000 0.239 595 D C -1.496 174.803 176.300 -0.000 0.000 1.144 595 D CA -0.901 53.091 54.000 -0.014 0.000 0.869 595 D CB 1.237 42.032 40.800 -0.010 0.000 1.160 595 D HN 0.286 nan 8.370 nan 0.000 0.484 596 P HA -0.199 nan 4.420 nan 0.000 0.216 596 P C 1.155 178.473 177.300 0.030 0.000 1.153 596 P CA 1.671 64.782 63.100 0.019 0.000 0.858 596 P CB 0.230 31.938 31.700 0.014 0.000 0.789 597 A N -0.312 122.522 122.820 0.023 0.000 1.930 597 A HA -0.056 4.265 4.320 0.001 0.000 0.217 597 A C 2.312 179.921 177.584 0.042 0.000 1.175 597 A CA 1.910 53.965 52.037 0.029 0.000 0.627 597 A CB -1.502 17.510 19.000 0.019 0.000 0.815 597 A HN 0.196 nan 8.150 nan 0.000 0.443 598 A N -0.312 122.529 122.820 0.036 0.000 1.902 598 A HA -0.158 4.162 4.320 0.001 0.000 0.217 598 A C 2.266 179.907 177.584 0.094 0.000 1.181 598 A CA 1.659 53.724 52.037 0.048 0.000 0.623 598 A CB -0.488 18.521 19.000 0.015 0.000 0.818 598 A HN 0.525 nan 8.150 nan 0.000 0.443 599 R N -0.554 119.996 120.500 0.083 0.000 2.092 599 R HA -0.178 4.163 4.340 0.001 0.000 0.231 599 R C 2.141 178.586 176.300 0.242 0.000 1.119 599 R CA 1.759 57.957 56.100 0.162 0.000 0.970 599 R CB -0.186 30.175 30.300 0.102 0.000 0.864 599 R HN 0.531 nan 8.270 nan 0.000 0.440 600 E N 0.541 120.822 120.200 0.134 0.000 2.051 600 E HA -0.140 4.210 4.350 0.001 0.000 0.192 600 E C 1.672 178.320 176.600 0.080 0.000 0.991 600 E CA 1.837 58.292 56.400 0.092 0.000 0.799 600 E CB -0.268 29.463 29.700 0.051 0.000 0.748 600 E HN 0.401 nan 8.360 nan 0.000 0.449 601 A N -0.009 122.865 122.820 0.090 0.000 1.908 601 A HA -0.175 4.146 4.320 0.001 0.000 0.218 601 A C 2.173 179.810 177.584 0.088 0.000 1.181 601 A CA 1.684 53.762 52.037 0.068 0.000 0.627 601 A CB -1.364 17.678 19.000 0.069 0.000 0.818 601 A HN 0.648 nan 8.150 nan 0.000 0.445 602 W N 0.822 122.094 121.300 -0.046 0.000 2.355 602 W HA -0.146 4.514 4.660 0.001 0.000 0.309 602 W C 1.891 178.342 176.519 -0.113 0.000 1.206 602 W CA 1.889 59.192 57.345 -0.070 0.000 1.284 602 W CB -0.267 29.166 29.460 -0.046 0.000 1.145 602 W HN 0.458 nan 8.180 nan 0.000 0.502 603 E N -0.381 119.719 120.200 -0.167 0.000 2.077 603 E HA -0.279 4.072 4.350 0.001 0.000 0.193 603 E C 2.257 178.648 176.600 -0.348 0.000 0.989 603 E CA 1.572 57.713 56.400 -0.431 0.000 0.800 603 E CB -0.263 29.363 29.700 -0.123 0.000 0.746 603 E HN 0.272 nan 8.360 nan 0.000 0.452 604 Q N -0.391 119.298 119.800 -0.184 0.000 2.123 604 Q HA -0.026 4.315 4.340 0.001 0.000 0.199 604 Q C 2.080 177.980 176.000 -0.168 0.000 0.966 604 Q CA 1.189 56.907 55.803 -0.142 0.000 0.845 604 Q CB -0.113 28.582 28.738 -0.071 0.000 0.907 604 Q HN 0.245 nan 8.270 nan 0.000 0.439 605 A N 0.392 123.100 122.820 -0.187 0.000 2.066 605 A HA 0.255 4.575 4.320 0.001 0.000 0.218 605 A C 1.197 178.640 177.584 -0.234 0.000 1.157 605 A CA 1.242 53.179 52.037 -0.166 0.000 0.670 605 A CB -0.610 18.322 19.000 -0.113 0.000 0.804 605 A HN 0.419 nan 8.150 nan 0.000 0.453 606 G N -2.014 106.544 108.800 -0.404 0.000 2.697 606 G HA2 -0.194 3.767 3.960 0.001 0.000 0.240 606 G HA3 -0.194 3.767 3.960 0.001 0.000 0.240 606 G C -0.444 174.164 174.900 -0.487 0.000 1.346 606 G CA 0.093 44.900 45.100 -0.489 0.000 0.887 606 G HN 0.548 nan 8.290 nan 0.000 0.569 607 Y N 0.620 120.841 120.300 -0.131 0.000 2.387 607 Y HA 0.613 5.163 4.550 0.001 0.000 0.336 607 Y C 1.453 177.319 175.900 -0.058 0.000 1.067 607 Y CA -0.844 57.207 58.100 -0.081 0.000 1.114 607 Y CB 1.141 39.573 38.460 -0.047 0.000 1.208 607 Y HN 0.604 nan 8.280 nan 0.000 0.458 608 R N 3.277 123.846 120.500 0.116 0.000 2.537 608 R HA 0.133 4.473 4.340 0.001 0.000 0.281 608 R C -0.121 176.221 176.300 0.071 0.000 0.988 608 R CA -0.026 56.104 56.100 0.050 0.000 1.077 608 R CB -0.009 30.290 30.300 -0.002 0.000 0.932 608 R HN 0.691 nan 8.270 nan 0.000 0.409 609 I N 0.574 121.175 120.570 0.052 0.000 2.662 609 I HA 0.360 4.530 4.170 0.001 0.000 0.291 609 I C -2.099 174.063 176.117 0.074 0.000 1.046 609 I CA -2.780 58.555 61.300 0.058 0.000 1.361 609 I CB 0.590 38.611 38.000 0.036 0.000 1.429 609 I HN 0.300 nan 8.210 nan 0.000 0.558 610 P HA 0.168 nan 4.420 nan 0.000 0.264 610 P C -1.015 176.341 177.300 0.093 0.000 1.183 610 P CA 0.058 63.260 63.100 0.170 0.000 0.763 610 P CB 0.548 32.367 31.700 0.198 0.000 0.807 611 L N 2.303 123.571 121.223 0.075 0.000 2.445 611 L HA 0.456 4.797 4.340 0.001 0.000 0.262 611 L C -0.273 176.612 176.870 0.025 0.000 0.974 611 L CA -0.696 54.165 54.840 0.035 0.000 0.822 611 L CB 2.152 44.218 42.059 0.011 0.000 1.339 611 L HN 0.227 nan 8.230 nan 0.000 0.409 612 S N 3.039 118.751 115.700 0.020 0.000 2.575 612 S HA 0.388 4.859 4.470 0.001 0.000 0.295 612 S C 1.282 175.875 174.600 -0.012 0.000 1.267 612 S CA 1.057 59.264 58.200 0.011 0.000 1.074 612 S CB -0.413 62.791 63.200 0.008 0.000 0.829 612 S HN 2.044 nan 8.310 nan 0.000 0.497 613 G N 3.160 111.945 108.800 -0.026 0.000 2.166 613 G HA2 -0.255 3.706 3.960 0.001 0.000 0.260 613 G HA3 -0.255 3.706 3.960 0.001 0.000 0.260 613 G C 0.532 175.390 174.900 -0.070 0.000 0.986 613 G CA 0.319 45.390 45.100 -0.048 0.000 0.683 613 G HN 0.949 nan 8.290 nan 0.000 0.527 614 C N -0.307 118.945 119.300 -0.080 0.000 3.785 614 C HA 0.635 5.096 4.460 0.001 0.000 0.312 614 C C 2.030 176.932 174.990 -0.147 0.000 1.566 614 C CA 0.270 59.231 59.018 -0.094 0.000 1.837 614 C CB -0.481 27.224 27.740 -0.058 0.000 2.826 614 C HN 2.010 nan 8.230 nan 0.000 0.667 615 G N 1.313 109.981 108.800 -0.221 0.000 2.574 615 G HA2 0.258 4.219 3.960 0.001 0.000 0.282 615 G HA3 0.258 4.219 3.960 0.001 0.000 0.282 615 G C -0.006 174.805 174.900 -0.149 0.000 1.257 615 G CA 0.158 44.985 45.100 -0.455 0.000 0.956 615 G HN 1.459 nan 8.290 nan 0.000 0.560 616 G N -3.875 104.885 108.800 -0.067 0.000 2.523 616 G HA2 0.714 4.675 3.960 0.001 0.000 0.291 616 G HA3 0.714 4.675 3.960 0.001 0.000 0.291 616 G C 0.914 175.897 174.900 0.139 0.000 1.450 616 G CA 1.189 46.370 45.100 0.136 0.000 0.790 616 G HN 2.650 nan 8.290 nan 0.000 0.496 617 G N -1.208 107.637 108.800 0.076 0.000 2.213 617 G HA2 -0.189 3.771 3.960 0.001 0.000 0.236 617 G HA3 -0.189 3.771 3.960 0.001 0.000 0.236 617 G C 0.337 175.215 174.900 -0.036 0.000 0.991 617 G CA 0.819 45.925 45.100 0.011 0.000 0.629 617 G HN 0.978 nan 8.290 nan 0.000 0.517 618 Q N 1.760 121.450 119.800 -0.183 0.000 2.313 618 Q HA 0.526 4.867 4.340 0.001 0.000 0.266 618 Q C 0.832 176.910 176.000 0.130 0.000 0.989 618 Q CA 0.509 56.159 55.803 -0.254 0.000 0.890 618 Q CB 1.181 29.593 28.738 -0.544 0.000 1.200 618 Q HN 0.767 nan 8.270 nan 0.000 0.396 619 S N 1.971 117.852 115.700 0.301 0.000 2.552 619 S HA 0.063 4.534 4.470 0.001 0.000 0.289 619 S C 0.780 175.420 174.600 0.066 0.000 1.304 619 S CA -0.343 57.978 58.200 0.201 0.000 1.063 619 S CB 0.309 63.706 63.200 0.329 0.000 0.848 619 S HN 0.647 nan 8.310 nan 0.000 0.499 620 I N 1.540 122.097 120.570 -0.021 0.000 2.439 620 I HA 0.020 4.190 4.170 0.001 0.000 0.251 620 I C 1.273 177.399 176.117 0.015 0.000 1.139 620 I CA 0.967 62.256 61.300 -0.018 0.000 1.438 620 I CB -0.083 37.886 38.000 -0.052 0.000 1.085 620 I HN 0.598 nan 8.210 nan 0.000 0.427 621 K N 1.086 121.512 120.400 0.044 0.000 2.267 621 K HA 0.413 4.733 4.320 0.001 0.000 0.246 621 K C -2.483 174.259 176.600 0.238 0.000 0.954 621 K CA -1.856 54.497 56.287 0.109 0.000 0.824 621 K CB 1.969 34.525 32.500 0.094 0.000 1.167 621 K HN -0.231 nan 8.250 nan 0.000 0.431 622 P HA 0.056 nan 4.420 nan 0.000 0.281 622 P C 0.040 177.398 177.300 0.096 0.000 1.249 622 P CA -0.453 62.741 63.100 0.157 0.000 0.810 622 P CB 0.986 32.737 31.700 0.086 0.000 1.008 623 L N 2.480 123.607 121.223 -0.161 0.000 2.127 623 L HA 0.232 4.572 4.340 0.001 0.000 0.203 623 L C 1.246 177.986 176.870 -0.217 0.000 1.080 623 L CA 2.392 56.936 54.840 -0.493 0.000 0.768 623 L CB -1.460 39.961 42.059 -1.063 0.000 0.924 623 L HN 0.819 nan 8.230 nan 0.000 0.444 624 G N -0.985 107.749 108.800 -0.110 0.000 2.645 624 G HA2 0.118 4.079 3.960 0.001 0.000 0.246 624 G HA3 0.118 4.079 3.960 0.001 0.000 0.246 624 G C 0.897 175.754 174.900 -0.071 0.000 1.322 624 G CA -0.000 45.078 45.100 -0.036 0.000 0.898 624 G HN 1.506 nan 8.290 nan 0.000 0.573 625 G N -2.124 106.633 108.800 -0.073 0.000 2.194 625 G HA2 -0.066 3.894 3.960 0.001 0.000 0.236 625 G HA3 -0.066 3.894 3.960 0.001 0.000 0.236 625 G C 0.279 175.079 174.900 -0.168 0.000 0.987 625 G CA 0.862 45.897 45.100 -0.109 0.000 0.635 625 G HN 1.631 nan 8.290 nan 0.000 0.520 626 I N 1.015 121.452 120.570 -0.222 0.000 2.498 626 I HA 0.338 4.508 4.170 0.001 0.000 0.290 626 I C -1.031 174.787 176.117 -0.498 0.000 1.032 626 I CA -0.941 60.072 61.300 -0.478 0.000 1.073 626 I CB 2.022 39.498 38.000 -0.873 0.000 1.251 626 I HN 0.033 nan 8.210 nan 0.000 0.426 627 D N 5.561 125.708 120.400 -0.422 0.000 2.352 627 D HA 0.192 4.832 4.640 0.001 0.000 0.245 627 D C -0.037 176.048 176.300 -0.357 0.000 1.224 627 D CA 0.151 53.996 54.000 -0.258 0.000 0.879 627 D CB 0.442 41.158 40.800 -0.141 0.000 1.057 627 D HN 0.260 nan 8.370 nan 0.000 0.491 628 F N 2.468 122.368 119.950 -0.083 0.000 2.693 628 F HA 0.307 4.835 4.527 0.001 0.000 0.303 628 F C 1.936 177.629 175.800 -0.178 0.000 1.097 628 F CA 0.325 58.247 58.000 -0.130 0.000 1.330 628 F CB 0.101 39.038 39.000 -0.105 0.000 1.067 628 F HN 0.621 nan 8.300 nan 0.000 0.565 629 G N 0.299 109.093 108.800 -0.010 0.000 2.574 629 G HA2 -0.270 3.691 3.960 0.001 0.000 0.286 629 G HA3 -0.270 3.691 3.960 0.001 0.000 0.286 629 G C -0.027 174.854 174.900 -0.031 0.000 1.212 629 G CA -0.452 44.574 45.100 -0.124 0.000 0.979 629 G HN 0.143 nan 8.290 nan 0.000 0.557 630 E N 2.827 122.949 120.200 -0.129 0.000 2.360 630 E HA 0.320 4.671 4.350 0.001 0.000 0.269 630 E C -1.594 175.018 176.600 0.021 0.000 1.022 630 E CA -0.844 55.557 56.400 0.001 0.000 0.887 630 E CB 0.951 30.652 29.700 0.002 0.000 0.990 630 E HN 0.417 nan 8.360 nan 0.000 0.426 631 P HA 0.092 nan 4.420 nan 0.000 0.274 631 P C -0.464 176.904 177.300 0.113 0.000 1.231 631 P CA -0.319 62.829 63.100 0.080 0.000 0.790 631 P CB 0.748 32.499 31.700 0.086 0.000 0.951 632 V N 3.913 123.910 119.914 0.138 0.000 2.311 632 V HA 0.182 4.303 4.120 0.001 0.000 0.275 632 V C 0.704 176.888 176.094 0.150 0.000 1.022 632 V CA -0.639 61.780 62.300 0.198 0.000 0.830 632 V CB 0.574 32.591 31.823 0.323 0.000 1.012 632 V HN 0.403 nan 8.190 nan 0.000 0.452 633 L N 5.516 126.811 121.223 0.121 0.000 2.453 633 L HA 0.303 4.644 4.340 0.001 0.000 0.272 633 L C 0.938 177.824 176.870 0.027 0.000 1.182 633 L CA -0.085 54.804 54.840 0.082 0.000 0.858 633 L CB 0.128 42.244 42.059 0.095 0.000 1.120 633 L HN 0.772 nan 8.230 nan 0.000 0.474 634 N N -0.003 118.717 118.700 0.033 0.000 2.776 634 N HA -0.144 4.596 4.740 0.001 0.000 0.249 634 N C 0.145 175.674 175.510 0.032 0.000 1.111 634 N CA 1.088 54.143 53.050 0.008 0.000 0.711 634 N CB -1.576 36.827 38.487 -0.140 0.000 1.065 634 N HN 0.886 nan 8.380 nan 0.000 0.556 635 T N -0.814 113.755 114.554 0.026 0.000 2.926 635 T HA 0.414 4.764 4.350 0.001 0.000 0.307 635 T C 0.131 174.829 174.700 -0.002 0.000 1.059 635 T CA -0.215 61.829 62.100 -0.094 0.000 1.122 635 T CB 0.983 69.795 68.868 -0.093 0.000 0.972 635 T HN 0.351 nan 8.240 nan 0.000 0.545 636 Y N -0.586 119.538 120.300 -0.293 0.000 2.581 636 Y HA 0.686 5.237 4.550 0.001 0.000 0.337 636 Y C -3.285 172.318 175.900 -0.495 0.000 1.108 636 Y CA -3.417 54.401 58.100 -0.470 0.000 1.033 636 Y CB 0.700 38.963 38.460 -0.327 0.000 1.318 636 Y HN 0.449 nan 8.280 nan 0.000 0.459 637 P HA 0.057 nan 4.420 nan 0.000 0.276 637 P C 0.910 178.101 177.300 -0.181 0.000 1.235 637 P CA -0.209 62.673 63.100 -0.363 0.000 0.772 637 P CB 1.871 33.367 31.700 -0.341 0.000 0.871 638 V N 0.435 120.227 119.914 -0.204 0.000 2.809 638 V HA -0.085 4.036 4.120 0.001 0.000 0.256 638 V C 0.582 176.692 176.094 0.026 0.000 1.080 638 V CA 1.423 63.681 62.300 -0.070 0.000 1.102 638 V CB -1.689 30.071 31.823 -0.105 0.000 0.705 638 V HN 0.697 nan 8.190 nan 0.000 0.475 639 N N -1.374 117.326 118.700 0.001 0.000 3.106 639 N HA 0.259 4.999 4.740 0.001 0.000 0.253 639 N C -0.254 175.266 175.510 0.016 0.000 1.506 639 N CA -0.492 52.575 53.050 0.028 0.000 0.876 639 N CB 0.827 39.333 38.487 0.030 0.000 1.452 639 N HN 0.026 nan 8.380 nan 0.000 0.542 640 E N -1.020 119.199 120.200 0.032 0.000 2.489 640 E HA 0.155 4.506 4.350 0.001 0.000 0.193 640 E C -0.048 176.566 176.600 0.022 0.000 1.057 640 E CA 0.242 56.658 56.400 0.027 0.000 0.866 640 E CB -0.385 29.336 29.700 0.035 0.000 0.916 640 E HN 0.532 nan 8.360 nan 0.000 0.500 641 N N 0.054 118.769 118.700 0.024 0.000 2.412 641 N HA -0.005 4.735 4.740 0.001 0.000 0.184 641 N C 0.249 175.783 175.510 0.039 0.000 1.101 641 N CA -0.194 52.876 53.050 0.033 0.000 0.881 641 N CB 0.844 39.352 38.487 0.034 0.000 0.969 641 N HN -0.059 nan 8.380 nan 0.000 0.459 642 V N 1.446 121.374 119.914 0.024 0.000 2.715 642 V HA 0.062 4.183 4.120 0.001 0.000 0.299 642 V C -0.012 176.095 176.094 0.022 0.000 1.054 642 V CA 0.189 62.502 62.300 0.022 0.000 1.077 642 V CB 1.148 32.962 31.823 -0.015 0.000 0.972 642 V HN 0.101 nan 8.190 nan 0.000 0.484 643 T N 8.685 123.257 114.554 0.029 0.000 2.728 643 T HA 0.407 4.757 4.350 0.001 0.000 0.296 643 T C -0.118 174.568 174.700 -0.022 0.000 0.940 643 T CA -0.098 62.008 62.100 0.011 0.000 1.013 643 T CB 0.185 69.055 68.868 0.004 0.000 0.912 643 T HN 0.525 nan 8.240 nan 0.000 0.484 644 L N 4.848 126.073 121.223 0.004 0.000 2.281 644 L HA 0.341 4.682 4.340 0.001 0.000 0.285 644 L C 1.083 177.955 176.870 0.002 0.000 1.074 644 L CA -0.374 54.475 54.840 0.016 0.000 0.817 644 L CB 0.806 42.912 42.059 0.077 0.000 1.168 644 L HN 0.632 nan 8.230 nan 0.000 0.434 645 L N 2.671 123.868 121.223 -0.043 0.000 2.425 645 L HA 0.244 4.585 4.340 0.001 0.000 0.215 645 L C 0.507 177.369 176.870 -0.013 0.000 1.065 645 L CA 0.299 55.099 54.840 -0.067 0.000 0.842 645 L CB 0.031 41.999 42.059 -0.151 0.000 1.033 645 L HN 0.533 nan 8.230 nan 0.000 0.474 646 R N 0.470 120.973 120.500 0.004 0.000 2.515 646 R HA 0.609 4.949 4.340 0.001 0.000 0.291 646 R C -1.173 175.140 176.300 0.021 0.000 1.046 646 R CA -0.195 55.916 56.100 0.018 0.000 0.914 646 R CB 1.936 32.279 30.300 0.072 0.000 1.191 646 R HN -0.069 nan 8.270 nan 0.000 0.435 647 A N 2.856 125.745 122.820 0.114 0.000 3.370 647 A HA 0.306 4.626 4.320 0.001 0.000 0.295 647 A C -0.840 176.864 177.584 0.201 0.000 1.030 647 A CA -0.671 51.483 52.037 0.195 0.000 0.883 647 A CB 0.263 19.470 19.000 0.345 0.000 1.191 647 A HN 0.422 nan 8.150 nan 0.000 0.507 648 D N 0.068 120.543 120.400 0.125 0.000 2.283 648 D HA 0.499 5.140 4.640 0.001 0.000 0.248 648 D C 1.268 177.625 176.300 0.094 0.000 1.072 648 D CA 1.257 55.327 54.000 0.117 0.000 0.929 648 D CB 1.383 42.239 40.800 0.093 0.000 1.182 648 D HN 0.929 nan 8.370 nan 0.000 0.433 649 G N 0.721 109.568 108.800 0.077 0.000 2.221 649 G HA2 -0.099 3.861 3.960 0.001 0.000 0.265 649 G HA3 -0.099 3.861 3.960 0.001 0.000 0.265 649 G C 0.968 175.886 174.900 0.030 0.000 1.041 649 G CA 0.623 45.754 45.100 0.051 0.000 0.807 649 G HN 1.235 nan 8.290 nan 0.000 0.502 650 G N -1.609 107.185 108.800 -0.009 0.000 2.160 650 G HA2 0.049 4.010 3.960 0.001 0.000 0.251 650 G HA3 0.049 4.010 3.960 0.001 0.000 0.251 650 G C 0.257 175.183 174.900 0.044 0.000 1.008 650 G CA 1.612 46.651 45.100 -0.102 0.000 0.724 650 G HN 2.127 nan 8.290 nan 0.000 0.514 651 Q N -2.194 117.720 119.800 0.190 0.000 2.814 651 Q HA 0.735 5.075 4.340 0.001 0.000 0.322 651 Q C -1.307 174.866 176.000 0.288 0.000 0.888 651 Q CA -1.060 54.927 55.803 0.307 0.000 0.768 651 Q CB 1.757 30.594 28.738 0.165 0.000 1.443 651 Q HN 0.461 nan 8.270 nan 0.000 0.497 652 V N 1.360 121.384 119.914 0.183 0.000 2.459 652 V HA 0.176 4.296 4.120 0.001 0.000 0.295 652 V C -0.310 175.817 176.094 0.055 0.000 1.029 652 V CA -0.322 62.045 62.300 0.112 0.000 0.874 652 V CB 1.392 33.236 31.823 0.034 0.000 0.985 652 V HN 0.789 nan 8.190 nan 0.000 0.438 653 Q N 2.915 122.615 119.800 -0.168 0.000 2.402 653 Q HA 0.426 4.766 4.340 0.001 0.000 0.231 653 Q C -0.355 175.262 176.000 -0.639 0.000 0.888 653 Q CA 0.304 55.733 55.803 -0.623 0.000 0.938 653 Q CB 0.819 28.690 28.738 -1.444 0.000 1.086 653 Q HN 0.554 nan 8.270 nan 0.000 0.543 654 L N -0.243 120.803 121.223 -0.294 0.000 2.588 654 L HA 0.786 5.127 4.340 0.001 0.000 0.263 654 L C -2.091 174.762 176.870 -0.027 0.000 0.935 654 L CA -0.516 54.237 54.840 -0.146 0.000 0.891 654 L CB 1.814 43.845 42.059 -0.046 0.000 1.318 654 L HN -0.045 nan 8.230 nan 0.000 0.409 655 A N 2.325 125.157 122.820 0.020 0.000 2.594 655 A HA 0.862 5.182 4.320 0.001 0.000 0.295 655 A C -1.173 176.424 177.584 0.021 0.000 1.071 655 A CA -0.241 51.807 52.037 0.018 0.000 0.685 655 A CB 2.034 21.069 19.000 0.058 0.000 1.285 655 A HN 0.645 nan 8.150 nan 0.000 0.405 656 T N 0.263 114.816 114.554 -0.003 0.000 2.900 656 T HA 0.658 5.008 4.350 0.001 0.000 0.295 656 T C -1.357 173.399 174.700 0.094 0.000 1.044 656 T CA -0.501 61.638 62.100 0.063 0.000 0.995 656 T CB 1.108 70.022 68.868 0.076 0.000 1.072 656 T HN 0.902 nan 8.240 nan 0.000 0.473 657 N N 2.610 121.388 118.700 0.129 0.000 2.397 657 N HA 0.362 5.102 4.740 0.001 0.000 0.291 657 N C -1.705 173.902 175.510 0.160 0.000 1.065 657 N CA -0.545 52.583 53.050 0.129 0.000 0.884 657 N CB 1.534 40.089 38.487 0.113 0.000 1.551 657 N HN 0.462 nan 8.380 nan 0.000 0.487 658 D N 1.809 122.302 120.400 0.154 0.000 2.390 658 D HA 0.081 4.722 4.640 0.001 0.000 0.249 658 D C -0.954 175.469 176.300 0.206 0.000 1.144 658 D CA 0.763 54.858 54.000 0.159 0.000 0.880 658 D CB 0.441 41.316 40.800 0.124 0.000 1.182 658 D HN 0.450 nan 8.370 nan 0.000 0.451 659 Y N 1.931 122.258 120.300 0.044 0.000 2.535 659 Y HA 0.404 4.955 4.550 0.001 0.000 0.341 659 Y C 0.814 176.719 175.900 0.008 0.000 1.041 659 Y CA 0.161 58.276 58.100 0.025 0.000 1.307 659 Y CB 0.526 39.001 38.460 0.026 0.000 1.095 659 Y HN 0.648 nan 8.280 nan 0.000 0.534 660 G N 3.910 112.635 108.800 -0.125 0.000 2.561 660 G HA2 -0.389 3.572 3.960 0.001 0.000 0.289 660 G HA3 -0.389 3.572 3.960 0.001 0.000 0.289 660 G C 0.809 175.693 174.900 -0.028 0.000 1.169 660 G CA 0.635 45.670 45.100 -0.107 0.000 0.980 660 G HN 0.572 nan 8.290 nan 0.000 0.550 661 K N 1.336 121.713 120.400 -0.039 0.000 2.426 661 K HA 0.356 4.676 4.320 0.001 0.000 0.193 661 K C 1.419 178.014 176.600 -0.007 0.000 1.028 661 K CA 0.602 56.844 56.287 -0.075 0.000 1.047 661 K CB 0.361 32.787 32.500 -0.124 0.000 0.821 661 K HN 0.691 nan 8.250 nan 0.000 0.513 662 G N 0.356 109.193 108.800 0.062 0.000 2.938 662 G HA2 0.587 4.547 3.960 0.001 0.000 0.258 662 G HA3 0.587 4.547 3.960 0.001 0.000 0.258 662 G C -1.007 173.977 174.900 0.139 0.000 1.356 662 G CA -0.679 44.472 45.100 0.084 0.000 1.052 662 G HN 0.013 nan 8.290 nan 0.000 0.550 663 R N -1.755 118.790 120.500 0.074 0.000 2.698 663 R HA 0.561 4.902 4.340 0.001 0.000 0.275 663 R C -0.611 175.754 176.300 0.108 0.000 1.001 663 R CA -0.718 55.433 56.100 0.086 0.000 0.896 663 R CB 2.431 32.727 30.300 -0.007 0.000 1.218 663 R HN 0.761 nan 8.270 nan 0.000 0.462 664 G N 0.845 109.720 108.800 0.126 0.000 2.420 664 G HA2 0.593 4.553 3.960 0.001 0.000 0.331 664 G HA3 0.593 4.553 3.960 0.001 0.000 0.331 664 G C -1.138 173.850 174.900 0.147 0.000 1.168 664 G CA -0.395 44.797 45.100 0.154 0.000 0.936 664 G HN 0.259 nan 8.290 nan 0.000 0.479 665 V N 1.346 121.342 119.914 0.138 0.000 2.735 665 V HA 0.437 4.557 4.120 0.001 0.000 0.310 665 V C -1.354 174.809 176.094 0.116 0.000 1.061 665 V CA -0.884 61.480 62.300 0.106 0.000 0.913 665 V CB 1.852 33.718 31.823 0.071 0.000 1.005 665 V HN 0.735 nan 8.190 nan 0.000 0.428 666 Y N 5.137 125.433 120.300 -0.006 0.000 2.352 666 Y HA 0.773 5.324 4.550 0.001 0.000 0.339 666 Y C -0.581 175.295 175.900 -0.041 0.000 0.992 666 Y CA -1.104 56.981 58.100 -0.024 0.000 1.100 666 Y CB 1.387 39.846 38.460 -0.002 0.000 1.192 666 Y HN 0.533 nan 8.280 nan 0.000 0.458 667 I N 5.368 125.412 120.570 -0.878 0.000 2.466 667 I HA 0.221 4.391 4.170 0.001 0.000 0.289 667 I C 0.735 176.252 176.117 -1.001 0.000 1.026 667 I CA -0.542 60.343 61.300 -0.691 0.000 1.078 667 I CB 2.349 40.193 38.000 -0.260 0.000 1.249 667 I HN 0.752 nan 8.210 nan 0.000 0.429 668 S N 3.435 118.671 115.700 -0.773 0.000 2.406 668 S HA 0.226 4.697 4.470 0.001 0.000 0.228 668 S C 0.800 175.277 174.600 -0.206 0.000 1.020 668 S CA 0.473 58.442 58.200 -0.385 0.000 0.965 668 S CB 0.126 63.239 63.200 -0.146 0.000 0.798 668 S HN 0.918 nan 8.310 nan 0.000 0.488 669 G N -0.258 108.442 108.800 -0.168 0.000 2.579 669 G HA2 0.540 4.500 3.960 0.001 0.000 0.292 669 G HA3 0.540 4.500 3.960 0.001 0.000 0.292 669 G C -2.072 172.758 174.900 -0.117 0.000 1.484 669 G CA -0.798 44.157 45.100 -0.241 0.000 0.813 669 G HN 0.467 nan 8.290 nan 0.000 0.515 670 L N 1.315 122.391 121.223 -0.244 0.000 2.420 670 L HA 0.439 4.780 4.340 0.001 0.000 0.260 670 L C -2.542 174.217 176.870 -0.185 0.000 1.508 670 L CA -1.104 53.636 54.840 -0.168 0.000 0.835 670 L CB 1.822 43.816 42.059 -0.109 0.000 1.018 670 L HN 0.284 nan 8.230 nan 0.000 0.520 671 P HA -0.023 nan 4.420 nan 0.000 0.268 671 P C -1.177 176.132 177.300 0.016 0.000 1.208 671 P CA 0.226 63.272 63.100 -0.089 0.000 0.777 671 P CB 0.196 31.890 31.700 -0.010 0.000 0.875 672 Y N 2.753 123.068 120.300 0.025 0.000 2.425 672 Y HA 0.353 4.904 4.550 0.001 0.000 0.331 672 Y C 0.281 176.186 175.900 0.008 0.000 1.157 672 Y CA 0.826 58.933 58.100 0.011 0.000 1.372 672 Y CB 0.311 38.792 38.460 0.036 0.000 1.253 672 Y HN 0.521 nan 8.280 nan 0.000 0.536 673 S N 3.233 118.307 115.700 -1.043 0.000 2.587 673 S HA 0.656 5.126 4.470 0.001 0.000 0.269 673 S C 0.221 174.255 174.600 -0.943 0.000 1.154 673 S CA -0.597 57.033 58.200 -0.951 0.000 0.824 673 S CB 0.850 63.812 63.200 -0.397 0.000 1.118 673 S HN 1.035 nan 8.310 nan 0.000 0.462 674 A N 1.354 123.844 122.820 -0.550 0.000 1.883 674 A HA 0.180 4.500 4.320 0.001 0.000 0.217 674 A C 2.344 179.801 177.584 -0.212 0.000 1.186 674 A CA 2.421 54.293 52.037 -0.274 0.000 0.624 674 A CB -1.690 17.235 19.000 -0.127 0.000 0.822 674 A HN 1.706 nan 8.150 nan 0.000 0.444 675 A N -0.087 122.605 122.820 -0.213 0.000 1.902 675 A HA -0.196 4.124 4.320 0.001 0.000 0.217 675 A C 1.902 179.376 177.584 -0.183 0.000 1.181 675 A CA 1.918 53.851 52.037 -0.173 0.000 0.623 675 A CB -0.597 18.300 19.000 -0.172 0.000 0.818 675 A HN 0.540 nan 8.150 nan 0.000 0.443 676 N N 0.167 118.727 118.700 -0.234 0.000 2.331 676 N HA 0.011 4.752 4.740 0.001 0.000 0.180 676 N C 1.777 177.217 175.510 -0.116 0.000 1.019 676 N CA 1.253 54.182 53.050 -0.200 0.000 0.881 676 N CB -0.484 37.868 38.487 -0.226 0.000 0.972 676 N HN 0.456 nan 8.380 nan 0.000 0.435 677 A N 0.985 123.743 122.820 -0.103 0.000 1.902 677 A HA -0.138 4.182 4.320 0.001 0.000 0.217 677 A C 2.274 179.874 177.584 0.027 0.000 1.181 677 A CA 1.541 53.592 52.037 0.022 0.000 0.623 677 A CB -0.389 18.675 19.000 0.107 0.000 0.818 677 A HN 0.169 nan 8.150 nan 0.000 0.443 678 R N -0.306 120.186 120.500 -0.012 0.000 2.075 678 R HA -0.070 4.271 4.340 0.001 0.000 0.232 678 R C 1.893 178.182 176.300 -0.019 0.000 1.126 678 R CA 1.709 57.814 56.100 0.008 0.000 0.963 678 R CB -0.985 29.297 30.300 -0.029 0.000 0.858 678 R HN 0.422 nan 8.270 nan 0.000 0.435 679 L N 0.100 121.282 121.223 -0.068 0.000 2.012 679 L HA -0.107 4.233 4.340 0.001 0.000 0.210 679 L C 2.044 178.905 176.870 -0.016 0.000 1.073 679 L CA 1.772 56.565 54.840 -0.079 0.000 0.748 679 L CB -0.732 41.256 42.059 -0.119 0.000 0.891 679 L HN 0.377 nan 8.230 nan 0.000 0.431 680 L N -0.318 120.908 121.223 0.005 0.000 2.083 680 L HA -0.206 4.135 4.340 0.001 0.000 0.209 680 L C 2.462 179.396 176.870 0.107 0.000 1.083 680 L CA 2.071 56.935 54.840 0.041 0.000 0.752 680 L CB -0.798 41.280 42.059 0.031 0.000 0.899 680 L HN 0.547 nan 8.230 nan 0.000 0.433 681 E N -0.571 119.719 120.200 0.149 0.000 2.051 681 E HA -0.268 4.083 4.350 0.001 0.000 0.192 681 E C 2.322 179.177 176.600 0.424 0.000 0.991 681 E CA 1.270 57.847 56.400 0.295 0.000 0.799 681 E CB -0.077 29.818 29.700 0.325 0.000 0.748 681 E HN 0.479 nan 8.360 nan 0.000 0.449 682 R N -0.039 120.596 120.500 0.225 0.000 2.105 682 R HA -0.126 4.215 4.340 0.001 0.000 0.239 682 R C 2.472 178.998 176.300 0.378 0.000 1.135 682 R CA 1.317 57.522 56.100 0.174 0.000 0.967 682 R CB -0.308 29.805 30.300 -0.313 0.000 0.861 682 R HN 0.126 nan 8.270 nan 0.000 0.442 683 V N 1.643 121.691 119.914 0.223 0.000 2.332 683 V HA -0.265 3.855 4.120 0.001 0.000 0.248 683 V C 2.265 178.502 176.094 0.239 0.000 1.055 683 V CA 1.811 64.240 62.300 0.214 0.000 1.038 683 V CB -0.427 31.456 31.823 0.100 0.000 0.651 683 V HN 0.293 nan 8.190 nan 0.000 0.450 684 L N -1.766 119.575 121.223 0.196 0.000 2.056 684 L HA -0.124 4.217 4.340 0.001 0.000 0.207 684 L C 2.416 179.328 176.870 0.071 0.000 1.078 684 L CA 1.590 56.478 54.840 0.081 0.000 0.749 684 L CB -0.675 41.369 42.059 -0.025 0.000 0.901 684 L HN 0.225 nan 8.230 nan 0.000 0.433 685 F N -1.061 119.019 119.950 0.216 0.000 2.146 685 F HA -0.248 4.280 4.527 0.001 0.000 0.298 685 F C 2.561 178.415 175.800 0.090 0.000 1.096 685 F CA 1.610 59.730 58.000 0.199 0.000 1.275 685 F CB -0.601 38.611 39.000 0.354 0.000 1.008 685 F HN -0.064 nan 8.300 nan 0.000 0.480 686 Y N 0.419 120.855 120.300 0.226 0.000 2.133 686 Y HA -0.147 4.404 4.550 0.001 0.000 0.287 686 Y C 2.409 178.264 175.900 -0.074 0.000 1.134 686 Y CA 1.298 59.391 58.100 -0.013 0.000 1.133 686 Y CB -0.724 37.838 38.460 0.170 0.000 0.987 686 Y HN -0.028 nan 8.280 nan 0.000 0.502 687 A N -0.529 122.379 122.820 0.146 0.000 1.978 687 A HA -0.188 4.133 4.320 0.001 0.000 0.220 687 A C 2.152 179.673 177.584 -0.105 0.000 1.170 687 A CA 1.924 53.971 52.037 0.017 0.000 0.636 687 A CB -1.170 17.889 19.000 0.098 0.000 0.810 687 A HN 0.543 nan 8.150 nan 0.000 0.448 688 S N -2.191 113.468 115.700 -0.068 0.000 2.671 688 S HA 0.091 4.562 4.470 0.001 0.000 0.220 688 S C 0.442 175.038 174.600 -0.008 0.000 0.951 688 S CA 0.305 58.478 58.200 -0.046 0.000 0.932 688 S CB -0.584 62.598 63.200 -0.030 0.000 0.777 688 S HN 0.587 nan 8.310 nan 0.000 0.508 689 H N 0.610 119.575 119.070 -0.174 0.000 2.791 689 H HA -0.137 4.419 4.556 0.001 0.000 0.302 689 H C -0.494 174.759 175.328 -0.125 0.000 1.198 689 H CA 1.054 56.975 56.048 -0.211 0.000 1.145 689 H CB -2.107 27.552 29.762 -0.172 0.000 1.385 689 H HN 0.683 nan 8.280 nan 0.000 0.409 690 N N 0.130 118.835 118.700 0.009 0.000 2.338 690 N HA 0.047 4.788 4.740 0.001 0.000 0.251 690 N C 1.012 176.623 175.510 0.169 0.000 1.199 690 N CA -0.160 52.966 53.050 0.125 0.000 0.879 690 N CB 0.544 39.150 38.487 0.199 0.000 1.159 690 N HN 0.316 nan 8.380 nan 0.000 0.514 691 E N 0.851 120.992 120.200 -0.099 0.000 2.118 691 E HA -0.256 4.095 4.350 0.001 0.000 0.195 691 E C 1.511 178.068 176.600 -0.072 0.000 0.992 691 E CA 1.373 57.570 56.400 -0.337 0.000 0.804 691 E CB -0.053 29.221 29.700 -0.710 0.000 0.741 691 E HN 0.496 nan 8.360 nan 0.000 0.458 692 D N 1.256 121.644 120.400 -0.020 0.000 2.178 692 D HA -0.216 4.424 4.640 0.001 0.000 0.201 692 D C 1.289 177.626 176.300 0.062 0.000 0.980 692 D CA 1.146 55.159 54.000 0.021 0.000 0.842 692 D CB -0.211 40.595 40.800 0.010 0.000 0.948 692 D HN 0.146 nan 8.370 nan 0.000 0.472 693 K N -0.995 119.489 120.400 0.139 0.000 2.365 693 K HA -0.039 4.281 4.320 0.001 0.000 0.197 693 K C 1.864 178.495 176.600 0.051 0.000 1.042 693 K CA 0.136 56.531 56.287 0.180 0.000 0.987 693 K CB -0.255 32.436 32.500 0.318 0.000 0.779 693 K HN 0.137 nan 8.250 nan 0.000 0.484 694 Y N 1.591 121.733 120.300 -0.264 0.000 2.128 694 Y HA -0.289 4.262 4.550 0.001 0.000 0.284 694 Y C 2.186 177.870 175.900 -0.360 0.000 1.154 694 Y CA 1.553 59.215 58.100 -0.729 0.000 1.149 694 Y CB -0.373 37.835 38.460 -0.420 0.000 0.976 694 Y HN 0.047 nan 8.280 nan 0.000 0.505 695 A N 1.367 124.088 122.820 -0.164 0.000 1.892 695 A HA -0.076 4.245 4.320 0.001 0.000 0.218 695 A C 1.661 179.023 177.584 -0.371 0.000 1.188 695 A CA 1.181 53.090 52.037 -0.212 0.000 0.631 695 A CB -1.725 17.229 19.000 -0.077 0.000 0.822 695 A HN 0.603 nan 8.150 nan 0.000 0.447 696 A N -2.284 120.324 122.820 -0.353 0.000 2.522 696 A HA 0.345 4.666 4.320 0.001 0.000 0.256 696 A C 0.240 177.547 177.584 -0.462 0.000 1.086 696 A CA 0.417 52.132 52.037 -0.537 0.000 0.763 696 A CB -1.251 17.485 19.000 -0.439 0.000 1.024 696 A HN 1.040 nan 8.150 nan 0.000 0.502 697 W N 0.851 121.953 121.300 -0.330 0.000 3.382 697 W HA -0.252 4.408 4.660 0.001 0.000 0.323 697 W C 0.836 177.135 176.519 -0.367 0.000 1.237 697 W CA 0.383 57.506 57.345 -0.370 0.000 0.652 697 W CB -2.202 27.069 29.460 -0.314 0.000 2.310 697 W HN 1.024 nan 8.180 nan 0.000 1.304 698 S N -0.478 115.045 115.700 -0.295 0.000 2.646 698 S HA 0.741 5.212 4.470 0.001 0.000 0.276 698 S C 0.089 174.571 174.600 -0.197 0.000 1.222 698 S CA -0.202 57.777 58.200 -0.368 0.000 1.014 698 S CB 2.161 64.967 63.200 -0.656 0.000 0.991 698 S HN 0.360 nan 8.310 nan 0.000 0.533 699 S N 0.610 116.227 115.700 -0.138 0.000 2.451 699 S HA 0.402 4.873 4.470 0.001 0.000 0.301 699 S C 1.172 175.757 174.600 -0.025 0.000 1.116 699 S CA -0.177 57.986 58.200 -0.061 0.000 1.093 699 S CB 1.018 64.188 63.200 -0.050 0.000 1.017 699 S HN 1.001 nan 8.310 nan 0.000 0.482 700 S N 4.139 119.838 115.700 -0.003 0.000 2.368 700 S HA -0.061 4.410 4.470 0.001 0.000 0.224 700 S C 0.869 175.472 174.600 0.005 0.000 1.029 700 S CA 0.446 58.651 58.200 0.008 0.000 0.988 700 S CB -0.688 62.520 63.200 0.014 0.000 0.838 700 S HN 0.753 nan 8.310 nan 0.000 0.462 701 N N 3.286 121.990 118.700 0.008 0.000 2.475 701 N HA 0.211 4.951 4.740 0.001 0.000 0.267 701 N C -2.228 173.275 175.510 -0.012 0.000 1.169 701 N CA -1.784 51.265 53.050 -0.001 0.000 0.947 701 N CB 1.357 39.849 38.487 0.008 0.000 1.061 701 N HN 0.057 nan 8.380 nan 0.000 0.466 702 P HA -0.008 nan 4.420 nan 0.000 0.226 702 P C 0.013 177.290 177.300 -0.038 0.000 1.153 702 P CA 1.123 64.203 63.100 -0.034 0.000 0.777 702 P CB 0.343 32.008 31.700 -0.059 0.000 0.794 703 E N -1.881 118.298 120.200 -0.036 0.000 2.476 703 E HA 0.104 4.455 4.350 0.001 0.000 0.196 703 E C -0.133 176.452 176.600 -0.025 0.000 1.029 703 E CA -0.103 56.275 56.400 -0.038 0.000 0.896 703 E CB 0.091 29.768 29.700 -0.039 0.000 1.012 703 E HN 0.209 nan 8.360 nan 0.000 0.475 704 C N 0.581 119.866 119.300 -0.025 0.000 2.562 704 C HA 0.503 4.963 4.460 0.001 0.000 0.332 704 C C 0.245 175.211 174.990 -0.040 0.000 1.201 704 C CA -0.745 58.252 59.018 -0.036 0.000 1.803 704 C CB 1.456 29.172 27.740 -0.041 0.000 2.328 704 C HN 0.261 nan 8.230 nan 0.000 0.500 705 E N -0.100 120.064 120.200 -0.059 0.000 2.392 705 E HA 0.695 5.045 4.350 0.001 0.000 0.269 705 E C -1.585 174.961 176.600 -0.090 0.000 0.924 705 E CA -0.542 55.823 56.400 -0.058 0.000 0.784 705 E CB 2.285 31.962 29.700 -0.037 0.000 1.292 705 E HN 0.390 nan 8.360 nan 0.000 0.447 706 V N 0.832 120.700 119.914 -0.077 0.000 2.680 706 V HA 0.733 4.853 4.120 0.001 0.000 0.309 706 V C -0.834 175.207 176.094 -0.088 0.000 1.052 706 V CA -0.666 61.590 62.300 -0.074 0.000 0.908 706 V CB 1.631 33.418 31.823 -0.060 0.000 1.001 706 V HN 0.742 nan 8.190 nan 0.000 0.431 707 A N 2.595 125.355 122.820 -0.100 0.000 2.335 707 A HA 0.627 4.948 4.320 0.001 0.000 0.304 707 A C -0.805 176.585 177.584 -0.323 0.000 1.118 707 A CA -0.512 51.380 52.037 -0.242 0.000 0.757 707 A CB 0.714 19.580 19.000 -0.222 0.000 1.188 707 A HN 0.990 nan 8.150 nan 0.000 0.460 708 H N 2.644 121.307 119.070 -0.678 0.000 2.519 708 H HA 0.532 5.089 4.556 0.001 0.000 0.316 708 H C -1.699 173.164 175.328 -0.775 0.000 1.065 708 H CA -0.493 55.100 56.048 -0.758 0.000 1.264 708 H CB 0.549 29.574 29.762 -1.228 0.000 1.413 708 H HN 0.513 nan 8.280 nan 0.000 0.465 709 F N 7.862 127.543 119.950 -0.448 0.000 2.363 709 F HA 0.232 4.759 4.527 0.001 0.000 0.366 709 F C -1.608 173.898 175.800 -0.489 0.000 1.083 709 F CA -2.162 55.609 58.000 -0.381 0.000 1.176 709 F CB 1.274 40.200 39.000 -0.123 0.000 1.432 709 F HN 0.528 nan 8.300 nan 0.000 0.482 710 P HA -0.217 nan 4.420 nan 0.000 0.216 710 P C 1.172 178.433 177.300 -0.066 0.000 1.153 710 P CA 1.670 64.567 63.100 -0.339 0.000 0.858 710 P CB 0.436 31.992 31.700 -0.240 0.000 0.789 711 E N 0.435 120.611 120.200 -0.040 0.000 2.097 711 E HA -0.202 4.148 4.350 0.001 0.000 0.196 711 E C 1.905 178.512 176.600 0.012 0.000 1.000 711 E CA 1.365 57.767 56.400 0.003 0.000 0.804 711 E CB -0.941 28.763 29.700 0.007 0.000 0.740 711 E HN 0.384 nan 8.360 nan 0.000 0.454 712 Q N -0.463 119.350 119.800 0.021 0.000 2.444 712 Q HA 0.234 4.575 4.340 0.001 0.000 0.206 712 Q C 0.614 176.636 176.000 0.037 0.000 0.948 712 Q CA 0.600 56.403 55.803 0.000 0.000 0.946 712 Q CB 0.270 28.973 28.738 -0.057 0.000 1.027 712 Q HN 0.388 nan 8.270 nan 0.000 0.513 713 G N 0.952 109.794 108.800 0.070 0.000 2.371 713 G HA2 -0.237 3.723 3.960 0.001 0.000 0.299 713 G HA3 -0.237 3.723 3.960 0.001 0.000 0.299 713 G C -0.627 174.369 174.900 0.161 0.000 1.014 713 G CA 0.292 45.465 45.100 0.122 0.000 1.097 713 G HN 0.245 nan 8.290 nan 0.000 0.512 714 L N -0.110 121.234 121.223 0.202 0.000 2.466 714 L HA 0.860 5.200 4.340 0.001 0.000 0.258 714 L C -0.529 176.581 176.870 0.399 0.000 0.973 714 L CA -1.399 53.595 54.840 0.256 0.000 0.826 714 L CB 1.962 44.149 42.059 0.213 0.000 1.372 714 L HN 0.581 nan 8.230 nan 0.000 0.409 715 Y N 1.705 122.188 120.300 0.305 0.000 2.562 715 Y HA 0.801 5.351 4.550 0.001 0.000 0.345 715 Y C -0.658 175.342 175.900 0.167 0.000 1.045 715 Y CA -1.546 56.683 58.100 0.214 0.000 1.028 715 Y CB 1.045 39.535 38.460 0.050 0.000 1.297 715 Y HN 0.812 nan 8.280 nan 0.000 0.463 716 C N 1.789 121.167 119.300 0.130 0.000 2.719 716 C HA 0.930 5.391 4.460 0.001 0.000 0.327 716 C C -0.967 173.885 174.990 -0.229 0.000 1.238 716 C CA -1.139 57.656 59.018 -0.371 0.000 1.727 716 C CB 1.284 28.261 27.740 -1.272 0.000 2.256 716 C HN 1.051 nan 8.230 nan 0.000 0.489 717 V N 2.947 122.600 119.914 -0.436 0.000 2.577 717 V HA 0.676 4.796 4.120 0.001 0.000 0.303 717 V C -0.389 175.501 176.094 -0.340 0.000 1.042 717 V CA -0.467 61.605 62.300 -0.381 0.000 0.872 717 V CB 1.483 32.921 31.823 -0.641 0.000 0.998 717 V HN 0.956 nan 8.190 nan 0.000 0.423 718 I N 3.233 123.668 120.570 -0.226 0.000 2.493 718 I HA 0.644 4.815 4.170 0.001 0.000 0.298 718 I C -0.370 175.690 176.117 -0.096 0.000 0.998 718 I CA -0.725 60.479 61.300 -0.159 0.000 1.137 718 I CB 1.931 39.843 38.000 -0.147 0.000 1.310 718 I HN 0.505 nan 8.210 nan 0.000 0.445 719 N N 4.039 122.707 118.700 -0.053 0.000 2.406 719 N HA 0.214 4.954 4.740 0.001 0.000 0.251 719 N C -0.194 175.314 175.510 -0.004 0.000 1.069 719 N CA -0.120 52.920 53.050 -0.016 0.000 0.947 719 N CB 0.467 38.962 38.487 0.013 0.000 1.111 719 N HN 0.717 nan 8.380 nan 0.000 0.497 720 N N 0.952 119.651 118.700 -0.003 0.000 2.370 720 N HA -0.012 4.728 4.740 0.001 0.000 0.198 720 N C -0.243 175.288 175.510 0.035 0.000 1.156 720 N CA 0.097 53.159 53.050 0.020 0.000 0.839 720 N CB 0.353 38.862 38.487 0.035 0.000 0.989 720 N HN 0.617 nan 8.380 nan 0.000 0.468 721 T N -2.491 112.080 114.554 0.027 0.000 2.907 721 T HA 0.190 4.541 4.350 0.001 0.000 0.290 721 T C 0.030 174.753 174.700 0.040 0.000 1.066 721 T CA -0.948 61.169 62.100 0.028 0.000 1.012 721 T CB 1.753 70.627 68.868 0.009 0.000 1.184 721 T HN -0.021 nan 8.240 nan 0.000 0.522 722 D N -0.077 120.346 120.400 0.038 0.000 2.336 722 D HA 0.124 4.764 4.640 0.001 0.000 0.228 722 D C 0.090 176.407 176.300 0.028 0.000 1.120 722 D CA -0.132 53.891 54.000 0.039 0.000 0.839 722 D CB 0.079 40.904 40.800 0.042 0.000 0.932 722 D HN 0.362 nan 8.370 nan 0.000 0.509 723 Q N 0.402 120.217 119.800 0.024 0.000 2.399 723 Q HA 0.451 4.792 4.340 0.001 0.000 0.276 723 Q C -2.711 173.303 176.000 0.023 0.000 1.098 723 Q CA -2.322 53.493 55.803 0.019 0.000 0.827 723 Q CB 1.624 30.369 28.738 0.012 0.000 1.386 723 Q HN -0.000 nan 8.270 nan 0.000 0.443 724 P HA 0.058 nan 4.420 nan 0.000 0.268 724 P C -0.764 176.553 177.300 0.029 0.000 1.205 724 P CA 0.202 63.321 63.100 0.031 0.000 0.771 724 P CB 0.585 32.302 31.700 0.029 0.000 0.858 725 Q N 2.099 121.921 119.800 0.037 0.000 2.285 725 Q HA 0.326 4.666 4.340 0.001 0.000 0.269 725 Q C -0.656 175.378 176.000 0.057 0.000 1.030 725 Q CA -0.592 55.233 55.803 0.036 0.000 0.788 725 Q CB 2.651 31.404 28.738 0.025 0.000 1.266 725 Q HN 0.391 nan 8.270 nan 0.000 0.438 726 K N 1.030 121.463 120.400 0.055 0.000 2.156 726 K HA 0.689 5.010 4.320 0.001 0.000 0.271 726 K C -0.176 176.473 176.600 0.081 0.000 0.995 726 K CA -0.345 55.988 56.287 0.077 0.000 0.890 726 K CB 1.678 34.212 32.500 0.056 0.000 1.073 726 K HN 0.442 nan 8.250 nan 0.000 0.454 727 T N 0.628 115.261 114.554 0.131 0.000 2.868 727 T HA 0.327 4.677 4.350 0.001 0.000 0.306 727 T C -1.408 173.411 174.700 0.199 0.000 1.224 727 T CA -0.532 61.644 62.100 0.126 0.000 1.012 727 T CB 1.723 70.644 68.868 0.089 0.000 1.221 727 T HN 0.444 nan 8.240 nan 0.000 0.499 728 T N 2.565 117.203 114.554 0.140 0.000 2.815 728 T HA 0.569 4.919 4.350 0.001 0.000 0.289 728 T C -0.470 174.301 174.700 0.119 0.000 1.000 728 T CA -0.413 61.770 62.100 0.139 0.000 0.958 728 T CB 1.067 69.972 68.868 0.061 0.000 0.944 728 T HN 0.467 nan 8.240 nan 0.000 0.442 729 V N 3.774 123.807 119.914 0.198 0.000 2.509 729 V HA 0.408 4.529 4.120 0.001 0.000 0.284 729 V C 0.572 176.638 176.094 -0.047 0.000 1.047 729 V CA -0.564 61.778 62.300 0.068 0.000 0.952 729 V CB 1.635 33.532 31.823 0.122 0.000 0.988 729 V HN 0.900 nan 8.190 nan 0.000 0.469 730 T N 6.356 120.804 114.554 -0.178 0.000 2.743 730 T HA 0.551 4.901 4.350 0.001 0.000 0.292 730 T C -0.131 174.252 174.700 -0.528 0.000 0.972 730 T CA -0.287 61.650 62.100 -0.271 0.000 0.967 730 T CB 0.760 69.481 68.868 -0.245 0.000 0.926 730 T HN 0.245 nan 8.240 nan 0.000 0.459 731 L N 2.058 122.939 121.223 -0.571 0.000 2.479 731 L HA 0.443 4.784 4.340 0.001 0.000 0.248 731 L C 1.883 178.105 176.870 -1.080 0.000 1.205 731 L CA 0.073 54.287 54.840 -1.043 0.000 0.817 731 L CB 0.073 41.808 42.059 -0.540 0.000 1.162 731 L HN 0.730 nan 8.230 nan 0.000 0.486 732 A N 0.128 122.122 122.820 -1.377 0.000 2.015 732 A HA -0.170 4.150 4.320 0.001 0.000 0.219 732 A C 1.604 178.970 177.584 -0.364 0.000 1.163 732 A CA 1.464 53.046 52.037 -0.758 0.000 0.646 732 A CB -0.860 17.896 19.000 -0.407 0.000 0.806 732 A HN 0.924 nan 8.150 nan 0.000 0.448 733 D N -2.446 117.777 120.400 -0.294 0.000 2.277 733 D HA 0.236 4.876 4.640 0.001 0.000 0.208 733 D C 1.313 177.524 176.300 -0.148 0.000 0.962 733 D CA 1.475 55.383 54.000 -0.154 0.000 0.865 733 D CB -0.377 40.372 40.800 -0.085 0.000 0.939 733 D HN 0.739 nan 8.370 nan 0.000 0.510 734 G N -0.562 108.117 108.800 -0.200 0.000 2.316 734 G HA2 -0.200 3.760 3.960 0.001 0.000 0.203 734 G HA3 -0.200 3.760 3.960 0.001 0.000 0.203 734 G C 0.518 175.341 174.900 -0.129 0.000 0.999 734 G CA 0.183 45.191 45.100 -0.153 0.000 0.649 734 G HN 0.782 nan 8.290 nan 0.000 0.489 735 T N 0.767 115.251 114.554 -0.118 0.000 2.898 735 T HA 0.537 4.888 4.350 0.001 0.000 0.301 735 T C 0.578 175.228 174.700 -0.083 0.000 1.049 735 T CA 0.993 63.048 62.100 -0.076 0.000 1.095 735 T CB 1.496 70.338 68.868 -0.042 0.000 0.976 735 T HN 1.329 nan 8.240 nan 0.000 0.539 736 T N 0.010 114.537 114.554 -0.045 0.000 2.945 736 T HA 0.662 5.013 4.350 0.001 0.000 0.286 736 T C -0.787 173.922 174.700 0.015 0.000 1.025 736 T CA -1.020 61.065 62.100 -0.025 0.000 1.039 736 T CB 1.509 70.364 68.868 -0.021 0.000 1.068 736 T HN 0.789 nan 8.240 nan 0.000 0.497 737 E N 1.006 121.244 120.200 0.063 0.000 2.331 737 E HA 0.416 4.766 4.350 0.001 0.000 0.275 737 E C -1.586 175.018 176.600 0.008 0.000 0.895 737 E CA -0.891 55.535 56.400 0.044 0.000 0.753 737 E CB 2.032 31.835 29.700 0.172 0.000 1.216 737 E HN 0.625 nan 8.360 nan 0.000 0.434 738 D N 1.026 121.294 120.400 -0.220 0.000 2.228 738 D HA 0.569 5.210 4.640 0.001 0.000 0.247 738 D C -1.107 174.887 176.300 -0.510 0.000 0.995 738 D CA -0.074 53.822 54.000 -0.174 0.000 0.903 738 D CB 0.989 41.734 40.800 -0.092 0.000 1.205 738 D HN 0.169 nan 8.370 nan 0.000 0.459 739 F N 0.164 120.146 119.950 0.054 0.000 2.601 739 F HA 0.286 4.814 4.527 0.001 0.000 0.309 739 F C -0.254 175.568 175.800 0.037 0.000 1.089 739 F CA -0.892 57.139 58.000 0.051 0.000 0.940 739 F CB 2.029 41.066 39.000 0.062 0.000 1.273 739 F HN -0.004 nan 8.300 nan 0.000 0.450 740 D N 3.231 123.759 120.400 0.214 0.000 2.378 740 D HA 0.361 5.002 4.640 0.001 0.000 0.265 740 D C -1.196 175.182 176.300 0.131 0.000 1.229 740 D CA -0.076 54.003 54.000 0.132 0.000 0.914 740 D CB 0.698 41.545 40.800 0.079 0.000 1.140 740 D HN 0.387 nan 8.370 nan 0.000 0.516 741 L N 4.242 125.538 121.223 0.122 0.000 2.305 741 L HA 0.450 4.790 4.340 0.001 0.000 0.281 741 L C -1.751 175.163 176.870 0.074 0.000 1.085 741 L CA -1.514 53.385 54.840 0.098 0.000 0.813 741 L CB 1.174 43.274 42.059 0.068 0.000 1.157 741 L HN 0.159 nan 8.230 nan 0.000 0.436 742 P HA -0.002 nan 4.420 nan 0.000 0.275 742 P C -0.857 176.477 177.300 0.056 0.000 1.266 742 P CA -0.524 62.612 63.100 0.061 0.000 0.793 742 P CB 0.443 32.182 31.700 0.065 0.000 1.074 743 D N 0.197 120.623 120.400 0.042 0.000 2.658 743 D HA -0.120 4.520 4.640 0.001 0.000 0.230 743 D C 0.011 176.344 176.300 0.055 0.000 1.118 743 D CA 1.010 55.033 54.000 0.038 0.000 0.848 743 D CB -0.510 40.304 40.800 0.023 0.000 1.160 743 D HN 0.351 nan 8.370 nan 0.000 0.497 744 S N 0.924 116.665 115.700 0.069 0.000 3.358 744 S HA -0.141 4.330 4.470 0.001 0.000 0.309 744 S C 0.838 175.528 174.600 0.149 0.000 1.247 744 S CA 0.713 58.980 58.200 0.110 0.000 0.961 744 S CB -1.911 61.375 63.200 0.145 0.000 1.074 744 S HN 0.966 nan 8.310 nan 0.000 0.625 745 G N 0.053 108.918 108.800 0.109 0.000 2.599 745 G HA2 0.621 4.581 3.960 0.001 0.000 0.264 745 G HA3 0.621 4.581 3.960 0.001 0.000 0.264 745 G C -0.390 174.553 174.900 0.071 0.000 1.200 745 G CA -0.277 44.896 45.100 0.122 0.000 0.896 745 G HN 0.592 nan 8.290 nan 0.000 0.536 746 I N -0.603 120.005 120.570 0.064 0.000 2.802 746 I HA 0.707 4.877 4.170 0.001 0.000 0.298 746 I C -0.509 175.568 176.117 -0.067 0.000 1.176 746 I CA -0.978 60.281 61.300 -0.069 0.000 1.025 746 I CB 2.141 40.091 38.000 -0.083 0.000 1.243 746 I HN 0.744 nan 8.210 nan 0.000 0.424 747 A N 5.292 127.973 122.820 -0.232 0.000 2.454 747 A HA 0.796 5.117 4.320 0.001 0.000 0.302 747 A C -2.274 175.093 177.584 -0.362 0.000 1.079 747 A CA -0.418 51.557 52.037 -0.104 0.000 0.731 747 A CB 1.008 20.070 19.000 0.104 0.000 1.299 747 A HN 0.726 nan 8.150 nan 0.000 0.413 748 W N 0.368 121.680 121.300 0.020 0.000 2.781 748 W HA 0.795 5.456 4.660 0.001 0.000 0.345 748 W C 0.356 176.836 176.519 -0.065 0.000 1.085 748 W CA -0.218 57.097 57.345 -0.050 0.000 1.198 748 W CB 2.004 31.441 29.460 -0.038 0.000 1.423 748 W HN 0.934 nan 8.180 nan 0.000 0.532 749 R N 0.000 120.506 120.500 0.011 0.000 2.786 749 R HA 0.000 4.341 4.340 0.001 0.000 0.208 749 R CA 0.000 56.032 56.100 -0.113 0.000 0.921 749 R CB 0.000 30.092 30.300 -0.347 0.000 0.687 749 R HN 0.000 nan 8.270 nan 0.000 0.535