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 3oeh_1_B DATA FIRST_RESID 25 DATA SEQUENCE ANLNETGRVL AVGDGIARVF GLNNIQAEEL VEFSSGVKGM ALNLEPGQVG DATA SEQUENCE IVLFGSDRLV KEGELVKRTG NIVDVPVGPG LLGRVVDALG NPIDGKGPID DATA SEQUENCE AAGRSRAQVK APGILPRRSV HEPVQTGLKA VDALVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTAVALDT ILNQKRWNNG SDESKKLYCV YVAVGQKRST VAQLVQTLEQ DATA SEQUENCE HDAMKYSIIV AATASEAAPL QYLAPFTAAS IGEWFRDNGK HALIVYDDLS DATA SEQUENCE KQAVAYRQLS LLLRRPPGRE AYPGDVFYLH SRLLERAAKL SEKEGSGSLT DATA SEQUENCE ALPVIETQGG DVSAYIPTNV ISITDGQIFL EAELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQVKA LKQVAGSLKL FLAQYREVAA FAQXXSDLDA STKQTLVRGE DATA SEQUENCE RLTQLLKQNQ YSPLATEEQV PLIYAGVNGH LDGIELSRIG EFESSFLSYL DATA SEQUENCE KSNHNELLTE IREKGELSKE LLASLKSATE SFVAT 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.592 177.584 0.013 0.000 1.274 25 A CA 0.000 52.045 52.037 0.013 0.000 0.836 25 A CB 0.000 19.012 19.000 0.019 0.000 0.831 26 N N 2.504 121.207 118.700 0.004 0.000 2.492 26 N HA 0.172 4.906 4.740 -0.010 0.000 0.260 26 N C 0.726 176.234 175.510 -0.004 0.000 1.215 26 N CA -0.172 52.876 53.050 -0.002 0.000 0.923 26 N CB 1.426 39.907 38.487 -0.011 0.000 1.092 26 N HN 0.652 nan 8.380 nan 0.000 0.448 27 L N 1.536 122.754 121.223 -0.009 0.000 2.418 27 L HA -0.025 4.310 4.340 -0.010 0.000 0.218 27 L C 1.556 178.388 176.870 -0.063 0.000 1.125 27 L CA 0.424 55.245 54.840 -0.031 0.000 0.835 27 L CB -0.132 41.906 42.059 -0.035 0.000 0.953 27 L HN 0.471 nan 8.230 nan 0.000 0.454 28 N N -0.270 118.401 118.700 -0.048 0.000 2.300 28 N HA -0.106 4.628 4.740 -0.010 0.000 0.179 28 N C 1.397 176.879 175.510 -0.047 0.000 1.016 28 N CA 0.958 53.978 53.050 -0.051 0.000 0.876 28 N CB 0.189 38.654 38.487 -0.037 0.000 0.979 28 N HN 0.287 nan 8.380 nan 0.000 0.432 29 E N -0.282 119.895 120.200 -0.037 0.000 2.413 29 E HA 0.172 4.517 4.350 -0.010 0.000 0.203 29 E C 0.177 176.752 176.600 -0.041 0.000 0.957 29 E CA 0.308 56.687 56.400 -0.035 0.000 0.950 29 E CB 0.679 30.364 29.700 -0.025 0.000 0.957 29 E HN 0.061 nan 8.360 nan 0.000 0.497 30 T N -0.335 114.197 114.554 -0.036 0.000 2.930 30 T HA 0.711 5.055 4.350 -0.010 0.000 0.290 30 T C -0.321 174.362 174.700 -0.029 0.000 1.052 30 T CA -0.495 61.586 62.100 -0.032 0.000 1.017 30 T CB 2.149 71.010 68.868 -0.012 0.000 1.137 30 T HN 0.117 nan 8.240 nan 0.000 0.511 31 G N 1.092 109.880 108.800 -0.021 0.000 2.690 31 G HA2 0.670 4.624 3.960 -0.010 0.000 0.291 31 G HA3 0.670 4.624 3.960 -0.010 0.000 0.291 31 G C -1.616 173.320 174.900 0.059 0.000 1.403 31 G CA -0.711 44.397 45.100 0.014 0.000 0.864 31 G HN 0.485 nan 8.290 nan 0.000 0.480 32 R N 0.189 120.767 120.500 0.129 0.000 2.562 32 R HA 0.480 4.814 4.340 -0.010 0.000 0.298 32 R C -0.593 175.795 176.300 0.148 0.000 0.961 32 R CA -0.724 55.454 56.100 0.129 0.000 0.881 32 R CB 2.229 32.605 30.300 0.126 0.000 1.159 32 R HN 0.326 nan 8.270 nan 0.000 0.450 33 V N 5.134 125.130 119.914 0.136 0.000 2.470 33 V HA 0.035 4.149 4.120 -0.010 0.000 0.276 33 V C 1.908 178.061 176.094 0.098 0.000 1.040 33 V CA 0.143 62.530 62.300 0.145 0.000 1.008 33 V CB 0.728 32.651 31.823 0.166 0.000 0.990 33 V HN 0.678 nan 8.190 nan 0.000 0.477 34 L N 3.723 125.005 121.223 0.099 0.000 2.127 34 L HA 0.325 4.659 4.340 -0.010 0.000 0.203 34 L C 0.946 177.838 176.870 0.037 0.000 1.080 34 L CA 1.316 56.191 54.840 0.058 0.000 0.768 34 L CB -0.012 42.093 42.059 0.075 0.000 0.924 34 L HN 0.813 nan 8.230 nan 0.000 0.444 35 A N -0.963 121.883 122.820 0.044 0.000 2.608 35 A HA 0.583 4.897 4.320 -0.010 0.000 0.292 35 A C -1.695 175.899 177.584 0.016 0.000 1.066 35 A CA -0.350 51.700 52.037 0.022 0.000 0.676 35 A CB 1.961 20.970 19.000 0.015 0.000 1.277 35 A HN -0.207 nan 8.150 nan 0.000 0.413 36 V N 0.733 120.643 119.914 -0.007 0.000 2.653 36 V HA 0.847 4.961 4.120 -0.010 0.000 0.298 36 V C -0.252 175.819 176.094 -0.038 0.000 1.097 36 V CA 0.920 63.201 62.300 -0.033 0.000 0.908 36 V CB 1.440 33.224 31.823 -0.064 0.000 1.024 36 V HN 2.356 nan 8.190 nan 0.000 0.435 37 G N 3.504 112.280 108.800 -0.040 0.000 2.579 37 G HA2 0.556 4.510 3.960 -0.010 0.000 0.292 37 G HA3 0.556 4.510 3.960 -0.010 0.000 0.292 37 G C -0.804 174.071 174.900 -0.042 0.000 1.484 37 G CA 0.126 45.202 45.100 -0.039 0.000 0.813 37 G HN 0.847 nan 8.290 nan 0.000 0.515 38 D N -0.899 119.476 120.400 -0.041 0.000 2.837 38 D HA -0.138 4.496 4.640 -0.010 0.000 0.230 38 D C 1.700 177.969 176.300 -0.052 0.000 1.152 38 D CA 3.029 57.004 54.000 -0.042 0.000 0.736 38 D CB -1.208 39.569 40.800 -0.039 0.000 1.084 38 D HN 2.160 nan 8.370 nan 0.000 0.429 39 G N -1.672 107.092 108.800 -0.059 0.000 2.234 39 G HA2 -0.317 3.637 3.960 -0.010 0.000 0.260 39 G HA3 -0.317 3.637 3.960 -0.010 0.000 0.260 39 G C 0.332 175.181 174.900 -0.086 0.000 0.987 39 G CA 0.378 45.434 45.100 -0.074 0.000 0.625 39 G HN 0.490 nan 8.290 nan 0.000 0.532 40 I N 1.253 121.783 120.570 -0.068 0.000 2.488 40 I HA 0.744 4.908 4.170 -0.010 0.000 0.299 40 I C 0.598 176.691 176.117 -0.039 0.000 0.984 40 I CA -0.706 60.563 61.300 -0.052 0.000 1.250 40 I CB 1.158 39.136 38.000 -0.037 0.000 1.389 40 I HN 0.503 nan 8.210 nan 0.000 0.488 41 A N 6.027 128.847 122.820 -0.001 0.000 2.371 41 A HA 0.736 5.050 4.320 -0.010 0.000 0.311 41 A C -0.340 177.296 177.584 0.085 0.000 1.068 41 A CA -0.758 51.303 52.037 0.041 0.000 0.744 41 A CB 1.202 20.248 19.000 0.077 0.000 1.239 41 A HN 0.722 nan 8.150 nan 0.000 0.435 42 R N 1.091 121.639 120.500 0.080 0.000 2.294 42 R HA 0.597 4.931 4.340 -0.010 0.000 0.319 42 R C -1.190 175.182 176.300 0.119 0.000 0.984 42 R CA -0.312 55.839 56.100 0.085 0.000 0.861 42 R CB 1.800 32.138 30.300 0.063 0.000 1.104 42 R HN 0.473 nan 8.270 nan 0.000 0.451 43 V N 4.368 124.352 119.914 0.118 0.000 2.604 43 V HA 0.368 4.482 4.120 -0.010 0.000 0.305 43 V C -0.709 175.472 176.094 0.146 0.000 1.043 43 V CA -0.871 61.508 62.300 0.131 0.000 0.888 43 V CB 1.706 33.579 31.823 0.083 0.000 0.995 43 V HN 0.552 nan 8.190 nan 0.000 0.429 44 F N 3.609 123.570 119.950 0.017 0.000 2.385 44 F HA 0.749 5.270 4.527 -0.010 0.000 0.336 44 F C 0.911 176.711 175.800 0.001 0.000 1.100 44 F CA 1.353 59.358 58.000 0.009 0.000 1.116 44 F CB 1.193 40.199 39.000 0.010 0.000 1.166 44 F HN 0.909 nan 8.300 nan 0.000 0.511 45 G N 4.124 112.529 108.800 -0.659 0.000 2.509 45 G HA2 -0.249 3.705 3.960 -0.010 0.000 0.256 45 G HA3 -0.249 3.705 3.960 -0.010 0.000 0.256 45 G C 0.176 174.948 174.900 -0.214 0.000 1.152 45 G CA -0.327 44.520 45.100 -0.422 0.000 0.951 45 G HN 1.389 nan 8.290 nan 0.000 0.559 46 L N -0.062 121.084 121.223 -0.127 0.000 3.739 46 L HA -0.206 4.128 4.340 -0.010 0.000 0.442 46 L C 1.465 178.277 176.870 -0.097 0.000 1.241 46 L CA 0.541 55.324 54.840 -0.094 0.000 0.819 46 L CB -1.207 40.803 42.059 -0.081 0.000 1.679 46 L HN 0.626 nan 8.230 nan 0.000 0.889 47 N N 0.272 118.907 118.700 -0.109 0.000 2.520 47 N HA -0.074 4.661 4.740 -0.010 0.000 0.185 47 N C 1.035 176.506 175.510 -0.065 0.000 1.068 47 N CA 0.993 53.984 53.050 -0.099 0.000 0.911 47 N CB -0.021 38.402 38.487 -0.106 0.000 0.961 47 N HN 0.557 nan 8.380 nan 0.000 0.446 48 N N 0.324 118.991 118.700 -0.054 0.000 2.234 48 N HA 0.174 4.908 4.740 -0.010 0.000 0.227 48 N C 0.029 175.518 175.510 -0.035 0.000 1.151 48 N CA -0.174 52.852 53.050 -0.039 0.000 0.865 48 N CB 0.950 39.417 38.487 -0.033 0.000 1.066 48 N HN 0.258 nan 8.380 nan 0.000 0.515 49 I N 0.940 121.486 120.570 -0.041 0.000 2.696 49 I HA -0.010 4.154 4.170 -0.010 0.000 0.284 49 I C 0.155 176.258 176.117 -0.023 0.000 1.129 49 I CA -0.212 61.068 61.300 -0.033 0.000 1.410 49 I CB 0.771 38.747 38.000 -0.039 0.000 1.399 49 I HN 0.017 nan 8.210 nan 0.000 0.579 50 Q N 4.971 124.762 119.800 -0.014 0.000 2.230 50 Q HA 0.516 4.850 4.340 -0.010 0.000 0.248 50 Q C -0.268 175.731 176.000 -0.001 0.000 0.915 50 Q CA -0.913 54.886 55.803 -0.006 0.000 0.900 50 Q CB 1.464 30.202 28.738 -0.001 0.000 1.229 50 Q HN 0.769 nan 8.270 nan 0.000 0.439 51 A N 2.433 125.255 122.820 0.002 0.000 2.545 51 A HA 0.036 4.350 4.320 -0.010 0.000 0.253 51 A C -0.026 177.568 177.584 0.016 0.000 1.074 51 A CA 0.400 52.442 52.037 0.008 0.000 0.760 51 A CB -0.376 18.629 19.000 0.009 0.000 1.005 51 A HN 0.955 nan 8.150 nan 0.000 0.506 52 E N -0.132 120.083 120.200 0.025 0.000 2.919 52 E HA -0.152 4.192 4.350 -0.010 0.000 0.299 52 E C -0.093 176.536 176.600 0.049 0.000 0.951 52 E CA 1.030 57.454 56.400 0.041 0.000 0.952 52 E CB -1.334 28.387 29.700 0.035 0.000 1.465 52 E HN 0.924 nan 8.360 nan 0.000 0.407 53 E N 0.891 121.114 120.200 0.039 0.000 2.249 53 E HA 0.352 4.697 4.350 -0.010 0.000 0.280 53 E C -0.348 176.288 176.600 0.060 0.000 1.016 53 E CA -0.715 55.707 56.400 0.037 0.000 0.830 53 E CB 0.837 30.544 29.700 0.012 0.000 1.081 53 E HN 0.074 nan 8.360 nan 0.000 0.395 54 L N 4.666 125.934 121.223 0.075 0.000 2.461 54 L HA 0.144 4.478 4.340 -0.010 0.000 0.272 54 L C -0.485 176.411 176.870 0.043 0.000 1.197 54 L CA 0.292 55.196 54.840 0.106 0.000 0.836 54 L CB 1.170 43.289 42.059 0.099 0.000 1.105 54 L HN 0.423 nan 8.230 nan 0.000 0.477 55 V N 0.807 120.742 119.914 0.034 0.000 3.102 55 V HA 0.683 4.797 4.120 -0.010 0.000 0.312 55 V C -0.804 175.246 176.094 -0.072 0.000 1.135 55 V CA -0.879 61.369 62.300 -0.087 0.000 1.022 55 V CB 1.839 33.512 31.823 -0.250 0.000 1.056 55 V HN 0.826 nan 8.190 nan 0.000 0.436 56 E N 1.197 121.316 120.200 -0.135 0.000 2.187 56 E HA 0.584 4.928 4.350 -0.010 0.000 0.268 56 E C -1.590 174.907 176.600 -0.172 0.000 0.896 56 E CA -0.684 55.684 56.400 -0.052 0.000 0.766 56 E CB 1.597 31.300 29.700 0.005 0.000 1.142 56 E HN 0.627 nan 8.360 nan 0.000 0.408 57 F N 1.559 121.535 119.950 0.044 0.000 2.380 57 F HA 0.175 4.697 4.527 -0.010 0.000 0.319 57 F C 1.884 177.703 175.800 0.032 0.000 1.113 57 F CA -0.270 57.751 58.000 0.036 0.000 1.056 57 F CB 1.237 40.258 39.000 0.036 0.000 1.289 57 F HN 0.503 nan 8.300 nan 0.000 0.515 58 S N 0.116 115.959 115.700 0.238 0.000 2.380 58 S HA -0.230 4.234 4.470 -0.010 0.000 0.229 58 S C 2.007 176.676 174.600 0.115 0.000 1.043 58 S CA 1.953 60.234 58.200 0.135 0.000 1.038 58 S CB -0.506 62.763 63.200 0.116 0.000 0.872 58 S HN 0.710 nan 8.310 nan 0.000 0.456 59 S N -0.559 115.221 115.700 0.133 0.000 2.558 59 S HA 0.404 4.868 4.470 -0.010 0.000 0.217 59 S C 1.468 176.123 174.600 0.092 0.000 0.975 59 S CA 0.823 59.077 58.200 0.089 0.000 0.912 59 S CB 0.380 63.617 63.200 0.061 0.000 0.776 59 S HN 0.774 nan 8.310 nan 0.000 0.526 60 G N 0.352 109.227 108.800 0.126 0.000 2.259 60 G HA2 -0.240 3.714 3.960 -0.010 0.000 0.217 60 G HA3 -0.240 3.714 3.960 -0.010 0.000 0.217 60 G C 0.162 175.148 174.900 0.144 0.000 1.001 60 G CA -0.155 45.011 45.100 0.111 0.000 0.627 60 G HN 0.955 nan 8.290 nan 0.000 0.501 61 V N 2.313 122.326 119.914 0.165 0.000 2.673 61 V HA 0.461 4.575 4.120 -0.010 0.000 0.303 61 V C 0.618 176.917 176.094 0.342 0.000 1.046 61 V CA 0.609 63.023 62.300 0.190 0.000 1.126 61 V CB 0.796 32.673 31.823 0.090 0.000 0.934 61 V HN 0.378 nan 8.190 nan 0.000 0.487 62 K N 4.592 125.194 120.400 0.336 0.000 2.185 62 K HA 0.819 5.133 4.320 -0.010 0.000 0.240 62 K C -0.006 176.907 176.600 0.522 0.000 0.983 62 K CA -0.247 56.283 56.287 0.406 0.000 0.873 62 K CB 1.951 34.625 32.500 0.291 0.000 1.118 62 K HN 0.882 nan 8.250 nan 0.000 0.441 63 G N 0.272 109.351 108.800 0.464 0.000 2.727 63 G HA2 0.590 4.544 3.960 -0.010 0.000 0.289 63 G HA3 0.590 4.544 3.960 -0.010 0.000 0.289 63 G C -1.758 173.268 174.900 0.210 0.000 1.418 63 G CA -0.681 44.583 45.100 0.274 0.000 0.818 63 G HN 0.453 nan 8.290 nan 0.000 0.486 64 M N 0.727 120.339 119.600 0.021 0.000 2.464 64 M HA 0.663 5.137 4.480 -0.010 0.000 0.308 64 M C -0.402 175.917 176.300 0.032 0.000 1.127 64 M CA -0.944 54.407 55.300 0.085 0.000 0.913 64 M CB 2.079 34.745 32.600 0.110 0.000 1.689 64 M HN 0.699 nan 8.290 nan 0.000 0.445 65 A N 4.418 127.261 122.820 0.039 0.000 2.437 65 A HA 0.324 4.638 4.320 -0.010 0.000 0.303 65 A C 0.114 177.707 177.584 0.015 0.000 1.324 65 A CA -0.416 51.632 52.037 0.018 0.000 0.983 65 A CB -0.070 18.935 19.000 0.008 0.000 1.142 65 A HN 0.933 nan 8.150 nan 0.000 0.541 66 L N 2.908 124.134 121.223 0.004 0.000 2.121 66 L HA 0.199 4.534 4.340 -0.010 0.000 0.200 66 L C 0.747 177.619 176.870 0.003 0.000 1.077 66 L CA 1.764 56.604 54.840 0.001 0.000 0.766 66 L CB -0.295 41.752 42.059 -0.021 0.000 0.931 66 L HN 0.835 nan 8.230 nan 0.000 0.452 67 N N -0.136 118.563 118.700 -0.001 0.000 2.407 67 N HA 0.423 5.157 4.740 -0.010 0.000 0.277 67 N C -1.599 173.911 175.510 0.000 0.000 0.995 67 N CA -0.404 52.646 53.050 0.001 0.000 0.903 67 N CB 0.845 39.331 38.487 -0.002 0.000 1.218 67 N HN 0.151 nan 8.380 nan 0.000 0.487 68 L N 1.681 122.903 121.223 -0.002 0.000 2.280 68 L HA 0.470 4.804 4.340 -0.010 0.000 0.287 68 L C -0.030 176.834 176.870 -0.009 0.000 1.023 68 L CA -0.537 54.298 54.840 -0.009 0.000 0.819 68 L CB 1.006 43.058 42.059 -0.011 0.000 1.212 68 L HN 0.649 nan 8.230 nan 0.000 0.420 69 E N 3.944 124.137 120.200 -0.012 0.000 2.320 69 E HA 0.452 4.797 4.350 -0.010 0.000 0.264 69 E C -2.416 174.173 176.600 -0.018 0.000 0.923 69 E CA -1.968 54.427 56.400 -0.008 0.000 0.796 69 E CB 1.654 31.357 29.700 0.004 0.000 1.262 69 E HN 0.345 nan 8.360 nan 0.000 0.428 70 P HA 0.009 nan 4.420 nan 0.000 0.262 70 P C 0.486 177.785 177.300 -0.000 0.000 1.199 70 P CA 0.741 63.834 63.100 -0.012 0.000 0.763 70 P CB 0.298 31.999 31.700 0.002 0.000 0.790 71 G N 2.521 111.302 108.800 -0.030 0.000 2.179 71 G HA2 -0.208 3.746 3.960 -0.010 0.000 0.260 71 G HA3 -0.208 3.746 3.960 -0.010 0.000 0.260 71 G C -0.116 174.812 174.900 0.047 0.000 0.977 71 G CA 0.484 45.593 45.100 0.016 0.000 0.641 71 G HN 0.873 nan 8.290 nan 0.000 0.533 72 Q N -1.913 117.886 119.800 -0.002 0.000 2.666 72 Q HA 0.607 4.942 4.340 -0.010 0.000 0.276 72 Q C -1.431 174.571 176.000 0.002 0.000 0.952 72 Q CA -1.116 54.705 55.803 0.029 0.000 0.850 72 Q CB 1.572 30.372 28.738 0.103 0.000 1.512 72 Q HN 0.584 nan 8.270 nan 0.000 0.395 73 V N 0.914 120.833 119.914 0.009 0.000 2.459 73 V HA 0.764 4.878 4.120 -0.010 0.000 0.295 73 V C 0.395 176.506 176.094 0.028 0.000 1.029 73 V CA -0.141 62.162 62.300 0.006 0.000 0.874 73 V CB 1.591 33.409 31.823 -0.009 0.000 0.985 73 V HN 0.844 nan 8.190 nan 0.000 0.438 74 G N 4.541 113.352 108.800 0.019 0.000 2.327 74 G HA2 0.645 4.599 3.960 -0.010 0.000 0.302 74 G HA3 0.645 4.599 3.960 -0.010 0.000 0.302 74 G C -0.798 174.115 174.900 0.022 0.000 1.113 74 G CA -0.235 44.878 45.100 0.021 0.000 0.921 74 G HN 0.600 nan 8.290 nan 0.000 0.425 75 I N 2.394 122.991 120.570 0.045 0.000 2.406 75 I HA 0.198 4.362 4.170 -0.010 0.000 0.290 75 I C -0.155 175.969 176.117 0.011 0.000 0.999 75 I CA -0.841 60.495 61.300 0.059 0.000 1.124 75 I CB 2.461 40.559 38.000 0.164 0.000 1.289 75 I HN 0.124 nan 8.210 nan 0.000 0.441 76 V N 7.089 126.960 119.914 -0.071 0.000 2.432 76 V HA 0.265 4.379 4.120 -0.010 0.000 0.271 76 V C 0.376 176.306 176.094 -0.274 0.000 1.046 76 V CA -0.596 61.601 62.300 -0.171 0.000 0.945 76 V CB 0.870 32.559 31.823 -0.223 0.000 0.992 76 V HN 0.452 nan 8.190 nan 0.000 0.471 77 L N 4.862 125.956 121.223 -0.215 0.000 2.380 77 L HA 0.318 4.652 4.340 -0.010 0.000 0.273 77 L C 0.038 176.762 176.870 -0.244 0.000 1.138 77 L CA -0.113 54.610 54.840 -0.195 0.000 0.832 77 L CB 0.264 42.223 42.059 -0.167 0.000 1.124 77 L HN 0.538 nan 8.230 nan 0.000 0.454 78 F N 2.119 122.116 119.950 0.079 0.000 2.871 78 F HA 0.464 4.985 4.527 -0.010 0.000 0.317 78 F C 1.035 176.865 175.800 0.050 0.000 1.193 78 F CA -0.308 57.739 58.000 0.079 0.000 1.311 78 F CB 0.002 39.059 39.000 0.096 0.000 1.380 78 F HN 0.575 nan 8.300 nan 0.000 0.557 79 G N -1.074 107.806 108.800 0.133 0.000 2.315 79 G HA2 0.228 4.182 3.960 -0.010 0.000 0.294 79 G HA3 0.228 4.182 3.960 -0.010 0.000 0.294 79 G C -1.175 173.732 174.900 0.012 0.000 1.300 79 G CA -0.986 44.161 45.100 0.079 0.000 0.843 79 G HN 0.023 nan 8.290 nan 0.000 0.527 80 S N -0.565 115.138 115.700 0.004 0.000 2.558 80 S HA 0.193 4.657 4.470 -0.010 0.000 0.288 80 S C 1.156 175.720 174.600 -0.060 0.000 1.318 80 S CA 0.733 58.922 58.200 -0.020 0.000 1.056 80 S CB 0.408 63.602 63.200 -0.010 0.000 0.853 80 S HN 0.426 nan 8.310 nan 0.000 0.505 81 D N 3.557 123.917 120.400 -0.067 0.000 2.219 81 D HA -0.109 4.525 4.640 -0.010 0.000 0.205 81 D C 1.860 178.107 176.300 -0.088 0.000 0.970 81 D CA 0.765 54.708 54.000 -0.096 0.000 0.851 81 D CB -0.293 40.462 40.800 -0.075 0.000 0.943 81 D HN 0.695 nan 8.370 nan 0.000 0.488 82 R N 0.751 121.216 120.500 -0.057 0.000 2.154 82 R HA -0.113 4.221 4.340 -0.010 0.000 0.248 82 R C 1.790 178.058 176.300 -0.053 0.000 1.155 82 R CA 0.850 56.924 56.100 -0.044 0.000 0.979 82 R CB -0.302 29.982 30.300 -0.025 0.000 0.869 82 R HN 0.208 nan 8.270 nan 0.000 0.452 83 L N 0.651 121.831 121.223 -0.071 0.000 2.610 83 L HA 0.095 4.429 4.340 -0.010 0.000 0.232 83 L C -0.411 176.380 176.870 -0.132 0.000 1.149 83 L CA -0.091 54.704 54.840 -0.075 0.000 0.872 83 L CB 0.652 42.676 42.059 -0.057 0.000 0.992 83 L HN -0.031 nan 8.230 nan 0.000 0.447 84 V N 0.018 119.828 119.914 -0.175 0.000 2.569 84 V HA 0.283 4.397 4.120 -0.010 0.000 0.301 84 V C -0.251 175.783 176.094 -0.100 0.000 1.044 84 V CA -0.935 61.233 62.300 -0.219 0.000 0.874 84 V CB 2.028 33.541 31.823 -0.517 0.000 1.002 84 V HN 0.080 nan 8.190 nan 0.000 0.424 85 K N 2.361 122.745 120.400 -0.028 0.000 2.123 85 K HA 0.499 4.813 4.320 -0.010 0.000 0.248 85 K C -0.108 176.506 176.600 0.023 0.000 0.969 85 K CA -0.801 55.484 56.287 -0.003 0.000 0.882 85 K CB 2.148 34.653 32.500 0.009 0.000 1.080 85 K HN 0.698 nan 8.250 nan 0.000 0.441 86 E N 0.227 120.437 120.200 0.017 0.000 2.414 86 E HA -0.003 4.341 4.350 -0.010 0.000 0.263 86 E C 0.439 177.059 176.600 0.033 0.000 1.000 86 E CA 0.925 57.342 56.400 0.027 0.000 0.914 86 E CB 0.361 30.068 29.700 0.012 0.000 0.948 86 E HN 0.820 nan 8.360 nan 0.000 0.444 87 G N 3.653 112.480 108.800 0.044 0.000 2.157 87 G HA2 -0.260 3.694 3.960 -0.010 0.000 0.239 87 G HA3 -0.260 3.694 3.960 -0.010 0.000 0.239 87 G C 0.059 174.994 174.900 0.058 0.000 0.982 87 G CA 0.271 45.395 45.100 0.040 0.000 0.650 87 G HN 0.580 nan 8.290 nan 0.000 0.527 88 E N -0.373 119.878 120.200 0.086 0.000 2.313 88 E HA 0.526 4.870 4.350 -0.010 0.000 0.272 88 E C 0.265 176.931 176.600 0.111 0.000 1.038 88 E CA -0.958 55.506 56.400 0.107 0.000 0.863 88 E CB 1.353 31.141 29.700 0.147 0.000 1.060 88 E HN 0.212 nan 8.360 nan 0.000 0.402 89 L N 3.369 124.643 121.223 0.085 0.000 2.453 89 L HA 0.109 4.443 4.340 -0.010 0.000 0.272 89 L C -1.116 175.770 176.870 0.026 0.000 1.182 89 L CA 0.250 55.122 54.840 0.052 0.000 0.858 89 L CB 0.736 42.818 42.059 0.038 0.000 1.120 89 L HN 0.197 nan 8.230 nan 0.000 0.474 90 V N 4.598 124.482 119.914 -0.051 0.000 2.525 90 V HA 0.475 4.589 4.120 -0.010 0.000 0.299 90 V C -0.356 175.640 176.094 -0.163 0.000 1.034 90 V CA -0.964 61.208 62.300 -0.215 0.000 0.863 90 V CB 1.582 33.178 31.823 -0.378 0.000 0.999 90 V HN 0.682 nan 8.190 nan 0.000 0.423 91 K N 3.353 123.658 120.400 -0.158 0.000 2.159 91 K HA 0.599 4.913 4.320 -0.010 0.000 0.266 91 K C 0.162 176.696 176.600 -0.110 0.000 0.975 91 K CA -0.626 55.602 56.287 -0.099 0.000 0.865 91 K CB 1.540 34.005 32.500 -0.058 0.000 1.087 91 K HN 0.543 nan 8.250 nan 0.000 0.446 92 R N 0.420 120.873 120.500 -0.079 0.000 2.861 92 R HA 0.012 4.346 4.340 -0.010 0.000 0.268 92 R C 0.418 176.692 176.300 -0.043 0.000 1.027 92 R CA 0.501 56.564 56.100 -0.062 0.000 1.163 92 R CB 0.375 30.648 30.300 -0.045 0.000 1.060 92 R HN 0.699 nan 8.270 nan 0.000 0.483 93 T N -0.889 113.648 114.554 -0.028 0.000 2.987 93 T HA 0.168 4.512 4.350 -0.010 0.000 0.248 93 T C 1.162 175.857 174.700 -0.009 0.000 0.997 93 T CA 0.443 62.535 62.100 -0.013 0.000 1.013 93 T CB 0.659 69.527 68.868 -0.000 0.000 1.077 93 T HN 0.877 nan 8.240 nan 0.000 0.483 94 G N 2.030 110.824 108.800 -0.010 0.000 2.336 94 G HA2 -0.241 3.713 3.960 -0.010 0.000 0.233 94 G HA3 -0.241 3.713 3.960 -0.010 0.000 0.233 94 G C 0.106 175.005 174.900 -0.000 0.000 1.053 94 G CA -0.182 44.914 45.100 -0.007 0.000 0.625 94 G HN 0.457 nan 8.290 nan 0.000 0.511 95 N N 1.603 120.305 118.700 0.004 0.000 2.472 95 N HA 0.510 5.244 4.740 -0.010 0.000 0.277 95 N C 0.667 176.187 175.510 0.017 0.000 1.081 95 N CA -0.471 52.585 53.050 0.009 0.000 0.973 95 N CB 0.797 39.288 38.487 0.008 0.000 1.105 95 N HN 0.234 nan 8.380 nan 0.000 0.470 96 I N 1.472 122.052 120.570 0.017 0.000 2.836 96 I HA 0.005 4.169 4.170 -0.010 0.000 0.285 96 I C 0.735 176.870 176.117 0.030 0.000 1.174 96 I CA -0.426 60.889 61.300 0.026 0.000 1.405 96 I CB 0.050 38.061 38.000 0.017 0.000 1.385 96 I HN 0.150 nan 8.210 nan 0.000 0.594 97 V N 5.986 125.930 119.914 0.051 0.000 2.625 97 V HA -0.029 4.085 4.120 -0.010 0.000 0.305 97 V C 0.227 176.325 176.094 0.008 0.000 1.055 97 V CA 0.455 62.783 62.300 0.047 0.000 1.209 97 V CB -0.527 31.353 31.823 0.096 0.000 0.877 97 V HN 0.973 nan 8.190 nan 0.000 0.489 98 D N 3.533 123.926 120.400 -0.012 0.000 2.677 98 D HA 0.674 5.308 4.640 -0.010 0.000 0.298 98 D C -0.792 175.490 176.300 -0.030 0.000 1.250 98 D CA -0.482 53.510 54.000 -0.014 0.000 0.888 98 D CB 2.075 42.873 40.800 -0.004 0.000 1.397 98 D HN 0.507 nan 8.370 nan 0.000 0.461 99 V N -4.822 115.081 119.914 -0.019 0.000 3.130 99 V HA 0.796 4.911 4.120 -0.010 0.000 0.310 99 V C -2.843 173.235 176.094 -0.026 0.000 1.158 99 V CA -2.205 60.079 62.300 -0.027 0.000 1.029 99 V CB 1.908 33.720 31.823 -0.019 0.000 1.057 99 V HN 0.624 nan 8.190 nan 0.000 0.436 100 P HA 0.413 nan 4.420 nan 0.000 0.279 100 P C -0.399 176.852 177.300 -0.082 0.000 1.239 100 P CA 0.019 63.083 63.100 -0.061 0.000 0.789 100 P CB 1.679 33.340 31.700 -0.066 0.000 0.933 101 V N -0.438 119.399 119.914 -0.129 0.000 3.184 101 V HA 1.015 5.130 4.120 -0.010 0.000 0.308 101 V C 0.132 175.928 176.094 -0.497 0.000 1.243 101 V CA -0.347 61.817 62.300 -0.227 0.000 1.058 101 V CB 0.881 32.633 31.823 -0.117 0.000 1.183 101 V HN 0.971 nan 8.190 nan 0.000 0.471 102 G N -0.539 107.641 108.800 -1.033 0.000 2.423 102 G HA2 0.101 4.055 3.960 -0.010 0.000 0.684 102 G HA3 0.101 4.055 3.960 -0.010 0.000 0.684 102 G C -2.448 171.604 174.900 -1.412 0.000 1.309 102 G CA -0.029 44.083 45.100 -1.647 0.000 0.950 102 G HN 0.803 nan 8.290 nan 0.000 0.587 103 P HA 0.080 nan 4.420 nan 0.000 0.231 103 P C 1.725 178.846 177.300 -0.298 0.000 1.168 103 P CA 1.535 64.224 63.100 -0.685 0.000 0.779 103 P CB -0.058 31.370 31.700 -0.454 0.000 0.844 104 G N 0.022 108.639 108.800 -0.304 0.000 2.708 104 G HA2 -0.096 3.858 3.960 -0.010 0.000 0.210 104 G HA3 -0.096 3.858 3.960 -0.010 0.000 0.210 104 G C 1.072 175.909 174.900 -0.106 0.000 1.141 104 G CA 0.162 45.166 45.100 -0.159 0.000 0.788 104 G HN 0.222 nan 8.290 nan 0.000 0.531 105 L N 0.142 121.302 121.223 -0.106 0.000 2.640 105 L HA 0.326 4.660 4.340 -0.010 0.000 0.230 105 L C 0.547 177.436 176.870 0.032 0.000 1.123 105 L CA -0.175 54.642 54.840 -0.039 0.000 0.900 105 L CB 0.131 42.161 42.059 -0.047 0.000 1.146 105 L HN 0.009 nan 8.230 nan 0.000 0.484 106 L N 0.478 121.742 121.223 0.067 0.000 2.483 106 L HA 0.222 4.556 4.340 -0.010 0.000 0.276 106 L C 1.571 178.476 176.870 0.058 0.000 1.213 106 L CA 0.984 55.892 54.840 0.113 0.000 0.843 106 L CB -0.477 41.697 42.059 0.191 0.000 1.107 106 L HN 0.427 nan 8.230 nan 0.000 0.487 107 G N 2.133 110.956 108.800 0.038 0.000 2.187 107 G HA2 -0.261 3.693 3.960 -0.010 0.000 0.261 107 G HA3 -0.261 3.693 3.960 -0.010 0.000 0.261 107 G C 0.524 175.425 174.900 0.001 0.000 1.000 107 G CA 0.152 45.253 45.100 0.002 0.000 0.718 107 G HN 0.462 nan 8.290 nan 0.000 0.519 108 R N -1.065 119.441 120.500 0.010 0.000 2.787 108 R HA 0.740 5.074 4.340 -0.010 0.000 0.271 108 R C -0.388 175.919 176.300 0.011 0.000 0.993 108 R CA -0.993 55.110 56.100 0.005 0.000 0.993 108 R CB 1.864 32.165 30.300 0.001 0.000 1.155 108 R HN 0.232 nan 8.270 nan 0.000 0.486 109 V N 2.555 122.474 119.914 0.010 0.000 2.380 109 V HA 0.278 4.392 4.120 -0.010 0.000 0.286 109 V C 0.136 176.238 176.094 0.014 0.000 1.015 109 V CA -0.804 61.507 62.300 0.019 0.000 0.834 109 V CB 1.476 33.310 31.823 0.020 0.000 1.009 109 V HN 0.584 nan 8.190 nan 0.000 0.428 110 V N 1.606 121.529 119.914 0.015 0.000 3.096 110 V HA 0.845 4.959 4.120 -0.010 0.000 0.319 110 V C -0.036 176.063 176.094 0.009 0.000 1.082 110 V CA -0.634 61.669 62.300 0.006 0.000 1.022 110 V CB 1.947 33.768 31.823 -0.003 0.000 1.103 110 V HN 0.795 nan 8.190 nan 0.000 0.455 111 D N 0.927 121.327 120.400 -0.000 0.000 2.529 111 D HA 0.573 5.207 4.640 -0.010 0.000 0.273 111 D C 1.110 177.397 176.300 -0.022 0.000 1.197 111 D CA -0.048 53.951 54.000 -0.002 0.000 1.070 111 D CB 1.102 41.902 40.800 0.000 0.000 1.134 111 D HN 0.760 nan 8.370 nan 0.000 0.590 112 A N -0.536 122.265 122.820 -0.031 0.000 1.978 112 A HA -0.076 4.238 4.320 -0.010 0.000 0.220 112 A C 2.044 179.559 177.584 -0.115 0.000 1.170 112 A CA 1.005 53.007 52.037 -0.058 0.000 0.636 112 A CB -0.940 18.031 19.000 -0.049 0.000 0.810 112 A HN 0.535 nan 8.150 nan 0.000 0.448 113 L N -0.636 120.496 121.223 -0.152 0.000 2.672 113 L HA 0.228 4.562 4.340 -0.010 0.000 0.236 113 L C 1.534 178.348 176.870 -0.093 0.000 1.186 113 L CA 0.389 55.124 54.840 -0.175 0.000 0.977 113 L CB -0.311 41.611 42.059 -0.228 0.000 1.203 113 L HN 0.557 nan 8.230 nan 0.000 0.448 114 G N -0.306 108.457 108.800 -0.062 0.000 2.166 114 G HA2 -0.296 3.658 3.960 -0.010 0.000 0.260 114 G HA3 -0.296 3.658 3.960 -0.010 0.000 0.260 114 G C 0.233 175.114 174.900 -0.033 0.000 0.986 114 G CA -0.085 44.991 45.100 -0.040 0.000 0.683 114 G HN 0.459 nan 8.290 nan 0.000 0.527 115 N N 1.827 120.508 118.700 -0.032 0.000 2.470 115 N HA 0.308 5.042 4.740 -0.010 0.000 0.268 115 N C -2.393 173.111 175.510 -0.011 0.000 1.136 115 N CA -0.825 52.213 53.050 -0.020 0.000 0.961 115 N CB 1.418 39.895 38.487 -0.016 0.000 1.067 115 N HN 0.195 nan 8.380 nan 0.000 0.468 116 P HA 0.107 nan 4.420 nan 0.000 0.276 116 P C 0.400 177.700 177.300 0.000 0.000 1.243 116 P CA -0.046 63.050 63.100 -0.006 0.000 0.768 116 P CB 0.444 32.139 31.700 -0.009 0.000 0.856 117 I N 0.020 120.593 120.570 0.004 0.000 4.240 117 I HA 0.204 4.368 4.170 -0.010 0.000 0.331 117 I C 0.602 176.724 176.117 0.008 0.000 1.381 117 I CA -0.151 61.154 61.300 0.008 0.000 1.136 117 I CB -0.043 37.965 38.000 0.013 0.000 1.137 117 I HN 0.006 nan 8.210 nan 0.000 0.411 118 D N 1.346 121.749 120.400 0.005 0.000 2.349 118 D HA 0.141 4.775 4.640 -0.010 0.000 0.224 118 D C 1.765 178.066 176.300 0.000 0.000 1.029 118 D CA 0.630 54.632 54.000 0.003 0.000 0.879 118 D CB -0.105 40.695 40.800 0.000 0.000 0.906 118 D HN 0.459 nan 8.370 nan 0.000 0.528 119 G N 0.759 109.559 108.800 0.001 0.000 2.155 119 G HA2 -0.371 3.583 3.960 -0.010 0.000 0.257 119 G HA3 -0.371 3.583 3.960 -0.010 0.000 0.257 119 G C 0.846 175.745 174.900 -0.002 0.000 0.983 119 G CA 0.439 45.539 45.100 0.000 0.000 0.676 119 G HN 0.463 nan 8.290 nan 0.000 0.528 120 K N 0.575 120.973 120.400 -0.004 0.000 2.437 120 K HA 0.422 4.736 4.320 -0.010 0.000 0.198 120 K C 1.497 178.093 176.600 -0.007 0.000 1.024 120 K CA 0.443 56.727 56.287 -0.005 0.000 1.148 120 K CB 0.306 32.802 32.500 -0.006 0.000 0.860 120 K HN 1.415 nan 8.250 nan 0.000 0.515 121 G N 2.368 111.164 108.800 -0.006 0.000 2.660 121 G HA2 -0.204 3.750 3.960 -0.010 0.000 0.215 121 G HA3 -0.204 3.750 3.960 -0.010 0.000 0.215 121 G C -2.713 172.181 174.900 -0.010 0.000 1.345 121 G CA -1.240 43.856 45.100 -0.007 0.000 0.877 121 G HN 0.014 nan 8.290 nan 0.000 0.549 122 P HA 0.312 nan 4.420 nan 0.000 0.265 122 P C 0.358 177.644 177.300 -0.023 0.000 1.187 122 P CA -0.255 62.835 63.100 -0.016 0.000 0.766 122 P CB 0.305 31.995 31.700 -0.016 0.000 0.820 123 I N 2.601 123.154 120.570 -0.028 0.000 2.471 123 I HA 0.043 4.207 4.170 -0.010 0.000 0.286 123 I C 0.700 176.787 176.117 -0.051 0.000 1.079 123 I CA 0.025 61.301 61.300 -0.040 0.000 1.398 123 I CB -0.089 37.885 38.000 -0.044 0.000 1.403 123 I HN 0.399 nan 8.210 nan 0.000 0.530 124 D N 5.939 126.303 120.400 -0.059 0.000 2.365 124 D HA 0.473 5.107 4.640 -0.010 0.000 0.237 124 D C -0.356 175.879 176.300 -0.109 0.000 1.190 124 D CA -0.116 53.841 54.000 -0.071 0.000 0.867 124 D CB 0.624 41.387 40.800 -0.062 0.000 1.050 124 D HN 0.676 nan 8.370 nan 0.000 0.491 125 A N 2.905 125.659 122.820 -0.109 0.000 2.342 125 A HA 0.641 4.955 4.320 -0.010 0.000 0.323 125 A C 0.835 178.330 177.584 -0.148 0.000 1.125 125 A CA -0.418 51.528 52.037 -0.152 0.000 0.785 125 A CB 1.642 20.569 19.000 -0.121 0.000 1.221 125 A HN 0.629 nan 8.150 nan 0.000 0.463 126 A N 1.269 123.957 122.820 -0.221 0.000 2.168 126 A HA 0.483 4.797 4.320 -0.010 0.000 0.215 126 A C 1.245 178.790 177.584 -0.064 0.000 1.152 126 A CA 1.745 53.695 52.037 -0.145 0.000 0.716 126 A CB -0.506 18.378 19.000 -0.193 0.000 0.794 126 A HN 2.523 nan 8.150 nan 0.000 0.465 127 G N -1.374 107.378 108.800 -0.080 0.000 2.350 127 G HA2 0.382 4.336 3.960 -0.010 0.000 0.276 127 G HA3 0.382 4.336 3.960 -0.010 0.000 0.276 127 G C -1.349 173.532 174.900 -0.032 0.000 1.313 127 G CA -1.015 44.066 45.100 -0.032 0.000 0.903 127 G HN 0.220 nan 8.290 nan 0.000 0.490 128 R N 0.570 121.067 120.500 -0.005 0.000 2.467 128 R HA 0.572 4.906 4.340 -0.010 0.000 0.299 128 R C -0.547 175.763 176.300 0.015 0.000 1.120 128 R CA -0.513 55.584 56.100 -0.004 0.000 0.940 128 R CB 1.652 31.948 30.300 -0.007 0.000 1.161 128 R HN 0.450 nan 8.270 nan 0.000 0.506 129 S N 2.033 117.748 115.700 0.026 0.000 2.617 129 S HA 0.344 4.808 4.470 -0.010 0.000 0.269 129 S C 0.550 175.165 174.600 0.025 0.000 1.292 129 S CA -0.695 57.528 58.200 0.039 0.000 1.010 129 S CB 1.156 64.395 63.200 0.064 0.000 0.944 129 S HN 0.376 nan 8.310 nan 0.000 0.536 130 R N 0.349 120.863 120.500 0.024 0.000 2.707 130 R HA 0.344 4.678 4.340 -0.010 0.000 0.270 130 R C 1.351 177.660 176.300 0.014 0.000 1.083 130 R CA -0.008 56.100 56.100 0.013 0.000 1.182 130 R CB 0.123 30.428 30.300 0.008 0.000 1.084 130 R HN 0.742 nan 8.270 nan 0.000 0.528 131 A N 1.292 124.110 122.820 -0.004 0.000 1.874 131 A HA -0.058 4.256 4.320 -0.010 0.000 0.214 131 A C 0.427 177.985 177.584 -0.043 0.000 1.189 131 A CA 1.016 53.047 52.037 -0.010 0.000 0.615 131 A CB 0.153 19.129 19.000 -0.040 0.000 0.830 131 A HN 0.488 nan 8.150 nan 0.000 0.443 132 Q N 0.511 120.257 119.800 -0.091 0.000 2.390 132 Q HA 0.509 4.843 4.340 -0.010 0.000 0.249 132 Q C -1.277 174.701 176.000 -0.037 0.000 0.996 132 Q CA 0.006 55.734 55.803 -0.124 0.000 0.899 132 Q CB 1.341 29.973 28.738 -0.176 0.000 1.216 132 Q HN 0.173 nan 8.270 nan 0.000 0.465 133 V N 2.432 122.346 119.914 0.000 0.000 2.715 133 V HA 0.350 4.464 4.120 -0.010 0.000 0.310 133 V C 0.121 176.233 176.094 0.029 0.000 1.054 133 V CA -0.875 61.438 62.300 0.022 0.000 0.928 133 V CB 2.538 34.386 31.823 0.042 0.000 1.007 133 V HN 0.570 nan 8.190 nan 0.000 0.437 134 K N 2.203 122.621 120.400 0.030 0.000 2.270 134 K HA 0.623 4.937 4.320 -0.010 0.000 0.276 134 K C 0.075 176.700 176.600 0.041 0.000 1.023 134 K CA -0.203 56.107 56.287 0.037 0.000 0.955 134 K CB 1.090 33.611 32.500 0.036 0.000 0.975 134 K HN 0.868 nan 8.250 nan 0.000 0.471 135 A N 5.031 127.879 122.820 0.045 0.000 2.401 135 A HA 0.270 4.584 4.320 -0.010 0.000 0.259 135 A C -2.082 175.524 177.584 0.037 0.000 1.103 135 A CA -1.277 50.786 52.037 0.044 0.000 0.789 135 A CB -0.307 18.721 19.000 0.046 0.000 1.035 135 A HN 0.572 nan 8.150 nan 0.000 0.491 136 P HA 0.089 nan 4.420 nan 0.000 0.262 136 P C 0.653 177.969 177.300 0.027 0.000 1.182 136 P CA 0.534 63.650 63.100 0.027 0.000 0.761 136 P CB 0.381 32.096 31.700 0.025 0.000 0.795 137 G N 1.850 110.664 108.800 0.023 0.000 2.486 137 G HA2 0.155 4.109 3.960 -0.010 0.000 0.272 137 G HA3 0.155 4.109 3.960 -0.010 0.000 0.272 137 G C 1.095 176.008 174.900 0.021 0.000 1.426 137 G CA -0.558 44.556 45.100 0.023 0.000 1.058 137 G HN 0.323 nan 8.290 nan 0.000 0.531 138 I N -0.736 119.846 120.570 0.019 0.000 2.226 138 I HA -0.095 4.069 4.170 -0.010 0.000 0.245 138 I C 2.547 178.672 176.117 0.013 0.000 1.100 138 I CA 0.615 61.925 61.300 0.017 0.000 1.374 138 I CB -0.459 37.550 38.000 0.016 0.000 1.057 138 I HN 0.226 nan 8.210 nan 0.000 0.413 139 L N 1.564 122.793 121.223 0.011 0.000 1.988 139 L HA -0.050 4.285 4.340 -0.010 0.000 0.207 139 L C -0.626 176.248 176.870 0.007 0.000 1.071 139 L CA 2.151 56.995 54.840 0.007 0.000 0.744 139 L CB -1.918 40.144 42.059 0.006 0.000 0.893 139 L HN 0.193 nan 8.230 nan 0.000 0.433 140 P HA -0.044 nan 4.420 nan 0.000 0.269 140 P C -0.394 176.912 177.300 0.011 0.000 1.376 140 P CA 0.511 63.616 63.100 0.008 0.000 0.775 140 P CB -0.165 31.540 31.700 0.008 0.000 1.345 141 R N -0.214 120.292 120.500 0.011 0.000 2.832 141 R HA 0.619 4.953 4.340 -0.010 0.000 0.271 141 R C 0.297 176.601 176.300 0.007 0.000 0.996 141 R CA -0.863 55.245 56.100 0.014 0.000 0.977 141 R CB 2.184 32.494 30.300 0.017 0.000 1.168 141 R HN -0.056 nan 8.270 nan 0.000 0.482 142 R N 0.405 120.911 120.500 0.009 0.000 2.854 142 R HA 0.336 4.670 4.340 -0.010 0.000 0.271 142 R C -0.662 175.643 176.300 0.008 0.000 0.994 142 R CA -0.528 55.569 56.100 -0.004 0.000 0.945 142 R CB 2.035 32.323 30.300 -0.019 0.000 1.194 142 R HN 0.897 nan 8.270 nan 0.000 0.476 143 S N 0.664 116.361 115.700 -0.005 0.000 2.584 143 S HA 0.153 4.617 4.470 -0.010 0.000 0.270 143 S C 0.720 175.362 174.600 0.069 0.000 1.346 143 S CA -0.801 57.409 58.200 0.016 0.000 1.018 143 S CB 0.792 63.992 63.200 0.000 0.000 0.899 143 S HN 0.450 nan 8.310 nan 0.000 0.542 144 V N 0.835 120.794 119.914 0.075 0.000 2.775 144 V HA 0.482 4.597 4.120 -0.010 0.000 0.299 144 V C 0.888 177.085 176.094 0.172 0.000 1.062 144 V CA -0.033 62.330 62.300 0.106 0.000 1.063 144 V CB 0.336 32.169 31.823 0.017 0.000 0.994 144 V HN 1.204 nan 8.190 nan 0.000 0.483 145 H N 0.722 119.755 119.070 -0.061 0.000 3.935 145 H HA 0.357 4.907 4.556 -0.010 0.000 0.261 145 H C 0.021 175.306 175.328 -0.072 0.000 1.102 145 H CA -0.042 55.974 56.048 -0.054 0.000 1.176 145 H CB 0.001 29.738 29.762 -0.041 0.000 1.434 145 H HN 0.670 nan 8.280 nan 0.000 0.778 146 E N 3.952 123.796 120.200 -0.593 0.000 2.249 146 E HA 0.383 4.727 4.350 -0.010 0.000 0.280 146 E C -2.709 173.709 176.600 -0.303 0.000 1.016 146 E CA -2.036 54.067 56.400 -0.495 0.000 0.830 146 E CB 1.628 30.967 29.700 -0.602 0.000 1.081 146 E HN 0.155 nan 8.360 nan 0.000 0.395 147 P HA 0.020 nan 4.420 nan 0.000 0.276 147 P C -0.818 176.327 177.300 -0.259 0.000 1.243 147 P CA -0.224 62.752 63.100 -0.207 0.000 0.768 147 P CB 0.613 32.208 31.700 -0.175 0.000 0.856 148 V N 5.441 125.237 119.914 -0.195 0.000 2.372 148 V HA 0.063 4.177 4.120 -0.010 0.000 0.261 148 V C 0.642 176.658 176.094 -0.130 0.000 1.055 148 V CA -0.108 62.081 62.300 -0.184 0.000 0.930 148 V CB 0.067 31.814 31.823 -0.126 0.000 1.031 148 V HN 0.455 nan 8.190 nan 0.000 0.479 149 Q N 3.190 122.895 119.800 -0.158 0.000 2.337 149 Q HA 0.166 4.500 4.340 -0.010 0.000 0.255 149 Q C 1.199 177.240 176.000 0.068 0.000 0.997 149 Q CA 0.053 55.846 55.803 -0.017 0.000 0.925 149 Q CB 1.359 30.143 28.738 0.077 0.000 1.212 149 Q HN 0.926 nan 8.270 nan 0.000 0.436 150 T N -1.507 113.080 114.554 0.056 0.000 3.051 150 T HA 0.121 4.465 4.350 -0.010 0.000 0.255 150 T C 1.282 176.024 174.700 0.072 0.000 1.085 150 T CA 0.599 62.733 62.100 0.056 0.000 1.109 150 T CB 0.115 69.002 68.868 0.031 0.000 0.921 150 T HN 0.843 nan 8.240 nan 0.000 0.488 151 G N 1.476 110.327 108.800 0.084 0.000 2.155 151 G HA2 -0.201 3.754 3.960 -0.010 0.000 0.257 151 G HA3 -0.201 3.754 3.960 -0.010 0.000 0.257 151 G C -0.099 174.831 174.900 0.049 0.000 0.983 151 G CA 0.337 45.480 45.100 0.072 0.000 0.676 151 G HN 0.669 nan 8.290 nan 0.000 0.528 152 L N -0.105 121.144 121.223 0.044 0.000 2.295 152 L HA 0.414 4.748 4.340 -0.010 0.000 0.281 152 L C 1.636 178.532 176.870 0.043 0.000 1.018 152 L CA -0.922 53.940 54.840 0.035 0.000 0.841 152 L CB 1.253 43.328 42.059 0.026 0.000 1.218 152 L HN 0.002 nan 8.230 nan 0.000 0.424 153 K N 1.929 122.357 120.400 0.047 0.000 2.189 153 K HA -0.272 4.042 4.320 -0.010 0.000 0.207 153 K C 1.891 178.525 176.600 0.056 0.000 1.046 153 K CA 1.919 58.239 56.287 0.056 0.000 0.928 153 K CB -0.039 32.498 32.500 0.062 0.000 0.720 153 K HN 0.816 nan 8.250 nan 0.000 0.458 154 A N 0.569 123.420 122.820 0.051 0.000 1.874 154 A HA -0.049 4.265 4.320 -0.010 0.000 0.214 154 A C 2.348 179.962 177.584 0.051 0.000 1.189 154 A CA 0.909 52.979 52.037 0.054 0.000 0.615 154 A CB -0.364 18.668 19.000 0.053 0.000 0.830 154 A HN 0.049 nan 8.150 nan 0.000 0.443 155 V N 0.916 120.856 119.914 0.043 0.000 2.261 155 V HA -0.229 3.885 4.120 -0.010 0.000 0.246 155 V C 2.036 178.152 176.094 0.037 0.000 1.047 155 V CA 2.328 64.651 62.300 0.038 0.000 1.015 155 V CB -0.811 31.029 31.823 0.030 0.000 0.642 155 V HN 0.474 nan 8.190 nan 0.000 0.446 156 D N 0.058 120.481 120.400 0.038 0.000 2.224 156 D HA -0.009 4.625 4.640 -0.010 0.000 0.205 156 D C 2.057 178.381 176.300 0.040 0.000 0.965 156 D CA 1.412 55.433 54.000 0.035 0.000 0.852 156 D CB -0.052 40.772 40.800 0.041 0.000 0.947 156 D HN 0.463 nan 8.370 nan 0.000 0.494 157 A N -0.110 122.740 122.820 0.049 0.000 1.943 157 A HA 0.088 4.402 4.320 -0.010 0.000 0.213 157 A C 2.106 179.723 177.584 0.055 0.000 1.181 157 A CA 0.551 52.621 52.037 0.055 0.000 0.653 157 A CB -0.155 18.884 19.000 0.065 0.000 0.833 157 A HN 0.180 nan 8.150 nan 0.000 0.451 158 L N -0.904 120.352 121.223 0.055 0.000 2.537 158 L HA 0.166 4.500 4.340 -0.010 0.000 0.224 158 L C -0.105 176.795 176.870 0.050 0.000 1.065 158 L CA 0.199 55.074 54.840 0.058 0.000 0.860 158 L CB 0.841 42.939 42.059 0.066 0.000 1.086 158 L HN 0.174 nan 8.230 nan 0.000 0.482 159 V N -1.966 117.974 119.914 0.043 0.000 2.464 159 V HA 0.379 4.493 4.120 -0.010 0.000 0.255 159 V C -2.753 173.357 176.094 0.025 0.000 0.946 159 V CA -1.630 60.692 62.300 0.037 0.000 0.988 159 V CB 0.038 31.886 31.823 0.042 0.000 1.210 159 V HN -0.092 nan 8.190 nan 0.000 0.523 160 P HA 0.355 nan 4.420 nan 0.000 0.267 160 P C -0.331 176.967 177.300 -0.004 0.000 1.205 160 P CA 0.384 63.488 63.100 0.007 0.000 0.765 160 P CB 1.385 33.089 31.700 0.007 0.000 0.828 161 I N 2.486 123.046 120.570 -0.017 0.000 2.354 161 I HA 0.401 4.565 4.170 -0.010 0.000 0.292 161 I C 1.286 177.369 176.117 -0.057 0.000 0.989 161 I CA -0.449 60.834 61.300 -0.029 0.000 1.188 161 I CB 1.577 39.560 38.000 -0.028 0.000 1.342 161 I HN 0.305 nan 8.210 nan 0.000 0.457 162 G N 5.136 113.902 108.800 -0.056 0.000 2.528 162 G HA2 0.423 4.377 3.960 -0.010 0.000 0.289 162 G HA3 0.423 4.377 3.960 -0.010 0.000 0.289 162 G C -0.191 174.640 174.900 -0.114 0.000 1.192 162 G CA -0.775 44.274 45.100 -0.086 0.000 0.921 162 G HN 0.547 nan 8.290 nan 0.000 0.512 163 R N 0.401 120.798 120.500 -0.172 0.000 2.296 163 R HA 0.418 4.752 4.340 -0.010 0.000 0.327 163 R C 0.835 177.046 176.300 -0.149 0.000 1.137 163 R CA 0.623 56.597 56.100 -0.210 0.000 1.020 163 R CB 0.600 30.673 30.300 -0.378 0.000 1.110 163 R HN 0.951 nan 8.270 nan 0.000 0.499 164 G N 1.703 110.452 108.800 -0.084 0.000 2.367 164 G HA2 -0.224 3.730 3.960 -0.010 0.000 0.181 164 G HA3 -0.224 3.730 3.960 -0.010 0.000 0.181 164 G C 0.252 175.143 174.900 -0.016 0.000 1.000 164 G CA -0.542 44.537 45.100 -0.036 0.000 0.693 164 G HN 0.513 nan 8.290 nan 0.000 0.480 165 Q N 0.385 120.170 119.800 -0.025 0.000 2.535 165 Q HA 0.584 4.918 4.340 -0.010 0.000 0.228 165 Q C -0.044 175.954 176.000 -0.004 0.000 1.062 165 Q CA -0.026 55.770 55.803 -0.011 0.000 0.967 165 Q CB 0.321 29.049 28.738 -0.018 0.000 1.273 165 Q HN 0.414 nan 8.270 nan 0.000 0.554 166 R N 1.977 122.480 120.500 0.005 0.000 2.468 166 R HA 0.251 4.586 4.340 -0.010 0.000 0.302 166 R C -1.491 174.815 176.300 0.010 0.000 1.041 166 R CA -0.529 55.577 56.100 0.011 0.000 0.899 166 R CB 1.471 31.783 30.300 0.021 0.000 1.167 166 R HN 0.434 nan 8.270 nan 0.000 0.483 167 E N 3.051 123.254 120.200 0.005 0.000 2.145 167 E HA 0.225 4.569 4.350 -0.010 0.000 0.270 167 E C -1.382 175.224 176.600 0.010 0.000 0.906 167 E CA -0.922 55.484 56.400 0.009 0.000 0.761 167 E CB 1.169 30.873 29.700 0.007 0.000 1.116 167 E HN 0.390 nan 8.360 nan 0.000 0.408 168 L N 5.799 127.032 121.223 0.015 0.000 2.319 168 L HA 0.455 4.789 4.340 -0.010 0.000 0.280 168 L C -0.941 175.944 176.870 0.024 0.000 1.099 168 L CA 0.059 54.906 54.840 0.012 0.000 0.828 168 L CB 0.460 42.525 42.059 0.009 0.000 1.150 168 L HN 0.635 nan 8.230 nan 0.000 0.442 169 I N 6.928 127.504 120.570 0.011 0.000 2.325 169 I HA 0.360 4.524 4.170 -0.010 0.000 0.291 169 I C -0.158 175.962 176.117 0.005 0.000 1.019 169 I CA -0.048 61.257 61.300 0.007 0.000 1.302 169 I CB 1.057 39.053 38.000 -0.008 0.000 1.401 169 I HN 0.621 nan 8.210 nan 0.000 0.485 170 I N 5.527 126.110 120.570 0.021 0.000 2.619 170 I HA 0.860 5.024 4.170 -0.010 0.000 0.292 170 I C -0.456 175.601 176.117 -0.099 0.000 1.100 170 I CA 0.043 61.370 61.300 0.044 0.000 1.043 170 I CB 1.903 40.012 38.000 0.182 0.000 1.239 170 I HN 0.694 nan 8.210 nan 0.000 0.420 171 G N 4.952 113.668 108.800 -0.141 0.000 2.356 171 G HA2 0.190 4.144 3.960 -0.010 0.000 0.294 171 G HA3 0.190 4.144 3.960 -0.010 0.000 0.294 171 G C -1.805 172.994 174.900 -0.168 0.000 1.423 171 G CA -0.734 44.160 45.100 -0.343 0.000 0.806 171 G HN 0.515 nan 8.290 nan 0.000 0.527 172 D N -0.237 120.057 120.400 -0.177 0.000 2.349 172 D HA 0.182 4.816 4.640 -0.010 0.000 0.239 172 D C 1.085 177.310 176.300 -0.125 0.000 1.315 172 D CA 0.029 53.970 54.000 -0.099 0.000 0.937 172 D CB 0.490 41.242 40.800 -0.079 0.000 1.133 172 D HN 0.498 nan 8.370 nan 0.000 0.489 173 R N 0.735 121.183 120.500 -0.086 0.000 2.538 173 R HA -0.099 4.235 4.340 -0.010 0.000 0.282 173 R C -0.125 176.078 176.300 -0.161 0.000 1.009 173 R CA 0.302 56.347 56.100 -0.091 0.000 1.063 173 R CB 0.060 30.331 30.300 -0.047 0.000 0.945 173 R HN 0.284 nan 8.270 nan 0.000 0.414 174 Q N 1.764 121.451 119.800 -0.187 0.000 2.459 174 Q HA -0.143 4.191 4.340 -0.010 0.000 0.322 174 Q C -0.299 175.296 176.000 -0.676 0.000 1.427 174 Q CA 1.552 57.184 55.803 -0.286 0.000 0.861 174 Q CB -1.549 27.096 28.738 -0.155 0.000 1.137 174 Q HN 0.932 nan 8.270 nan 0.000 0.394 175 T N -4.528 109.624 114.554 -0.670 0.000 3.288 175 T HA 0.469 4.813 4.350 -0.010 0.000 0.293 175 T C 0.941 175.282 174.700 -0.598 0.000 1.008 175 T CA 0.457 61.981 62.100 -0.960 0.000 0.929 175 T CB 1.000 69.565 68.868 -0.504 0.000 1.152 175 T HN 0.910 nan 8.240 nan 0.000 0.517 176 G N 2.139 110.699 108.800 -0.400 0.000 2.198 176 G HA2 -0.298 3.656 3.960 -0.010 0.000 0.257 176 G HA3 -0.298 3.656 3.960 -0.010 0.000 0.257 176 G C 0.736 175.591 174.900 -0.075 0.000 1.042 176 G CA 0.528 45.579 45.100 -0.081 0.000 0.791 176 G HN 0.573 nan 8.290 nan 0.000 0.502 177 K N -0.813 119.523 120.400 -0.108 0.000 1.984 177 K HA -0.038 4.276 4.320 -0.010 0.000 0.209 177 K C 2.625 179.213 176.600 -0.019 0.000 1.046 177 K CA 1.711 57.957 56.287 -0.068 0.000 0.934 177 K CB -0.407 32.047 32.500 -0.077 0.000 0.717 177 K HN 0.275 nan 8.250 nan 0.000 0.438 178 T N 1.470 116.025 114.554 0.002 0.000 2.699 178 T HA -0.194 4.150 4.350 -0.010 0.000 0.268 178 T C 1.989 176.703 174.700 0.023 0.000 1.036 178 T CA 1.504 63.638 62.100 0.058 0.000 1.147 178 T CB -0.368 68.551 68.868 0.084 0.000 0.862 178 T HN 0.374 nan 8.240 nan 0.000 0.446 179 A N 0.821 123.630 122.820 -0.018 0.000 1.958 179 A HA -0.129 4.185 4.320 -0.010 0.000 0.221 179 A C 2.573 180.124 177.584 -0.055 0.000 1.178 179 A CA 1.787 53.785 52.037 -0.064 0.000 0.642 179 A CB -1.086 17.869 19.000 -0.075 0.000 0.816 179 A HN 0.391 nan 8.150 nan 0.000 0.453 180 V N -0.410 119.490 119.914 -0.023 0.000 2.270 180 V HA -0.226 3.888 4.120 -0.010 0.000 0.245 180 V C 3.076 179.172 176.094 0.004 0.000 1.043 180 V CA 1.956 64.250 62.300 -0.011 0.000 1.014 180 V CB -1.323 30.498 31.823 -0.003 0.000 0.645 180 V HN 0.642 nan 8.190 nan 0.000 0.447 181 A N -0.233 122.601 122.820 0.024 0.000 1.883 181 A HA -0.242 4.072 4.320 -0.010 0.000 0.217 181 A C 2.188 179.798 177.584 0.044 0.000 1.186 181 A CA 2.371 54.439 52.037 0.052 0.000 0.624 181 A CB -0.628 18.439 19.000 0.112 0.000 0.822 181 A HN 0.461 nan 8.150 nan 0.000 0.444 182 L N -0.048 121.181 121.223 0.011 0.000 2.027 182 L HA -0.116 4.218 4.340 -0.010 0.000 0.206 182 L C 1.680 178.536 176.870 -0.024 0.000 1.074 182 L CA 2.636 57.454 54.840 -0.038 0.000 0.745 182 L CB -0.642 41.377 42.059 -0.067 0.000 0.898 182 L HN 0.379 nan 8.230 nan 0.000 0.433 183 D N -1.462 118.916 120.400 -0.036 0.000 2.264 183 D HA -0.149 4.486 4.640 -0.010 0.000 0.208 183 D C 1.967 178.279 176.300 0.020 0.000 0.966 183 D CA 1.373 55.357 54.000 -0.026 0.000 0.864 183 D CB 0.069 40.833 40.800 -0.060 0.000 0.933 183 D HN 0.357 nan 8.370 nan 0.000 0.499 184 T N -0.022 114.548 114.554 0.026 0.000 2.777 184 T HA -0.053 4.291 4.350 -0.010 0.000 0.266 184 T C 1.994 176.740 174.700 0.076 0.000 1.040 184 T CA 0.583 62.711 62.100 0.047 0.000 1.141 184 T CB -0.099 68.787 68.868 0.031 0.000 0.868 184 T HN 0.162 nan 8.240 nan 0.000 0.444 185 I N 0.749 121.367 120.570 0.080 0.000 2.252 185 I HA -0.075 4.089 4.170 -0.010 0.000 0.245 185 I C 1.952 178.198 176.117 0.215 0.000 1.102 185 I CA 1.135 62.523 61.300 0.147 0.000 1.385 185 I CB -0.301 37.761 38.000 0.104 0.000 1.064 185 I HN 0.183 nan 8.210 nan 0.000 0.414 186 L N 0.520 121.814 121.223 0.120 0.000 2.549 186 L HA -0.140 4.194 4.340 -0.010 0.000 0.229 186 L C 1.813 178.768 176.870 0.142 0.000 1.158 186 L CA 0.708 55.624 54.840 0.126 0.000 0.842 186 L CB -0.689 41.375 42.059 0.009 0.000 0.952 186 L HN 0.303 nan 8.230 nan 0.000 0.452 187 N N -0.775 118.003 118.700 0.129 0.000 2.424 187 N HA -0.104 4.630 4.740 -0.010 0.000 0.178 187 N C 1.824 177.434 175.510 0.166 0.000 1.060 187 N CA 0.392 53.514 53.050 0.120 0.000 0.901 187 N CB 0.262 38.831 38.487 0.137 0.000 0.979 187 N HN 0.119 nan 8.380 nan 0.000 0.451 188 Q N 0.475 120.371 119.800 0.159 0.000 2.297 188 Q HA -0.076 4.258 4.340 -0.010 0.000 0.204 188 Q C 1.570 177.479 176.000 -0.153 0.000 0.962 188 Q CA 0.637 56.480 55.803 0.068 0.000 0.879 188 Q CB -0.232 28.390 28.738 -0.194 0.000 0.947 188 Q HN 0.430 nan 8.270 nan 0.000 0.462 189 K N 1.072 121.434 120.400 -0.064 0.000 2.189 189 K HA -0.207 4.107 4.320 -0.010 0.000 0.207 189 K C 1.949 178.456 176.600 -0.155 0.000 1.046 189 K CA 1.227 57.510 56.287 -0.007 0.000 0.928 189 K CB 0.073 32.666 32.500 0.154 0.000 0.720 189 K HN 0.098 nan 8.250 nan 0.000 0.458 190 R N -0.689 119.625 120.500 -0.309 0.000 2.096 190 R HA -0.176 4.158 4.340 -0.010 0.000 0.240 190 R C 1.902 177.805 176.300 -0.662 0.000 1.139 190 R CA 2.101 57.782 56.100 -0.698 0.000 0.952 190 R CB -0.239 29.197 30.300 -1.439 0.000 0.854 190 R HN 0.483 nan 8.270 nan 0.000 0.436 191 W N -0.941 120.271 121.300 -0.148 0.000 2.993 191 W HA 0.185 4.839 4.660 -0.010 0.000 0.290 191 W C 0.797 177.200 176.519 -0.193 0.000 1.203 191 W CA -0.547 56.712 57.345 -0.144 0.000 1.582 191 W CB -0.153 29.227 29.460 -0.133 0.000 1.033 191 W HN 0.047 nan 8.180 nan 0.000 0.594 192 N N 1.253 119.903 118.700 -0.084 0.000 2.501 192 N HA -0.056 4.678 4.740 -0.010 0.000 0.195 192 N C 0.726 176.180 175.510 -0.093 0.000 1.213 192 N CA 0.601 53.506 53.050 -0.241 0.000 0.864 192 N CB -0.360 37.713 38.487 -0.689 0.000 0.999 192 N HN 0.192 nan 8.380 nan 0.000 0.454 193 N N -0.859 117.814 118.700 -0.046 0.000 2.227 193 N HA 0.076 4.810 4.740 -0.010 0.000 0.196 193 N C 0.964 176.474 175.510 -0.000 0.000 1.142 193 N CA 0.045 53.089 53.050 -0.009 0.000 0.887 193 N CB 0.748 39.222 38.487 -0.022 0.000 1.022 193 N HN 0.094 nan 8.380 nan 0.000 0.500 194 G N -0.002 108.801 108.800 0.004 0.000 2.616 194 G HA2 0.287 4.241 3.960 -0.010 0.000 0.268 194 G HA3 0.287 4.241 3.960 -0.010 0.000 0.268 194 G C 0.661 175.583 174.900 0.036 0.000 1.213 194 G CA -0.228 44.886 45.100 0.023 0.000 0.926 194 G HN 0.054 nan 8.290 nan 0.000 0.523 195 S N -0.765 114.957 115.700 0.037 0.000 2.387 195 S HA -0.016 4.448 4.470 -0.010 0.000 0.221 195 S C 1.059 175.686 174.600 0.046 0.000 1.041 195 S CA 0.236 58.459 58.200 0.040 0.000 0.959 195 S CB -0.154 63.064 63.200 0.031 0.000 0.843 195 S HN 0.754 nan 8.310 nan 0.000 0.488 196 D N 2.399 122.829 120.400 0.050 0.000 2.570 196 D HA -0.092 4.542 4.640 -0.010 0.000 0.243 196 D C 0.629 176.957 176.300 0.047 0.000 1.171 196 D CA 0.373 54.402 54.000 0.049 0.000 0.879 196 D CB 0.470 41.307 40.800 0.061 0.000 1.143 196 D HN 0.165 nan 8.370 nan 0.000 0.511 197 E N 1.979 122.203 120.200 0.039 0.000 2.347 197 E HA -0.113 4.231 4.350 -0.010 0.000 0.196 197 E C 1.714 178.317 176.600 0.006 0.000 1.008 197 E CA 0.501 56.926 56.400 0.042 0.000 0.852 197 E CB 0.231 29.956 29.700 0.041 0.000 0.783 197 E HN 0.606 nan 8.360 nan 0.000 0.505 198 S N -0.217 115.481 115.700 -0.004 0.000 2.486 198 S HA 0.076 4.540 4.470 -0.010 0.000 0.220 198 S C 1.496 176.110 174.600 0.023 0.000 1.011 198 S CA 0.103 58.289 58.200 -0.022 0.000 0.921 198 S CB 0.119 63.337 63.200 0.030 0.000 0.785 198 S HN 0.007 nan 8.310 nan 0.000 0.517 199 K N 1.047 121.436 120.400 -0.018 0.000 2.446 199 K HA 0.266 4.580 4.320 -0.010 0.000 0.203 199 K C -0.332 176.183 176.600 -0.142 0.000 1.027 199 K CA -0.031 56.179 56.287 -0.129 0.000 1.166 199 K CB 0.290 32.663 32.500 -0.212 0.000 0.869 199 K HN 0.283 nan 8.250 nan 0.000 0.504 200 K N 1.534 121.890 120.400 -0.073 0.000 2.227 200 K HA 0.199 4.513 4.320 -0.010 0.000 0.280 200 K C -0.936 175.548 176.600 -0.194 0.000 1.041 200 K CA -0.556 55.628 56.287 -0.172 0.000 0.905 200 K CB 0.909 33.294 32.500 -0.192 0.000 1.068 200 K HN -0.117 nan 8.250 nan 0.000 0.470 201 L N 5.455 126.497 121.223 -0.301 0.000 2.337 201 L HA 0.297 4.631 4.340 -0.010 0.000 0.269 201 L C -1.373 175.321 176.870 -0.293 0.000 1.018 201 L CA -0.436 54.280 54.840 -0.206 0.000 0.876 201 L CB 0.137 42.100 42.059 -0.160 0.000 1.236 201 L HN 0.446 nan 8.230 nan 0.000 0.436 202 Y N 2.676 122.857 120.300 -0.198 0.000 2.336 202 Y HA 0.363 4.907 4.550 -0.010 0.000 0.331 202 Y C 0.719 176.480 175.900 -0.233 0.000 1.211 202 Y CA 0.031 57.964 58.100 -0.279 0.000 1.346 202 Y CB 0.711 38.709 38.460 -0.770 0.000 1.271 202 Y HN 0.464 nan 8.280 nan 0.000 0.538 203 C N 2.304 121.640 119.300 0.060 0.000 2.529 203 C HA 0.807 5.261 4.460 -0.010 0.000 0.329 203 C C -0.616 174.390 174.990 0.026 0.000 1.194 203 C CA -1.088 57.960 59.018 0.049 0.000 1.779 203 C CB 0.990 28.813 27.740 0.137 0.000 2.322 203 C HN 0.581 nan 8.230 nan 0.000 0.500 204 V N 1.633 121.551 119.914 0.007 0.000 2.482 204 V HA 0.373 4.487 4.120 -0.010 0.000 0.295 204 V C -1.170 174.929 176.094 0.008 0.000 1.026 204 V CA -0.631 61.676 62.300 0.012 0.000 0.856 204 V CB 0.924 32.737 31.823 -0.016 0.000 1.001 204 V HN 0.811 nan 8.190 nan 0.000 0.424 205 Y N 4.495 124.757 120.300 -0.064 0.000 2.342 205 Y HA 0.704 5.248 4.550 -0.010 0.000 0.338 205 Y C -0.334 175.537 175.900 -0.048 0.000 0.965 205 Y CA -0.721 57.338 58.100 -0.068 0.000 1.159 205 Y CB 1.704 40.139 38.460 -0.041 0.000 1.157 205 Y HN 0.527 nan 8.280 nan 0.000 0.486 206 V N 6.347 125.963 119.914 -0.498 0.000 2.350 206 V HA 0.616 4.730 4.120 -0.010 0.000 0.276 206 V C 0.019 175.862 176.094 -0.419 0.000 1.028 206 V CA -0.736 61.382 62.300 -0.302 0.000 0.860 206 V CB 0.802 32.560 31.823 -0.109 0.000 0.990 206 V HN 0.926 nan 8.190 nan 0.000 0.453 207 A N 5.326 128.028 122.820 -0.196 0.000 2.260 207 A HA 0.703 5.017 4.320 -0.010 0.000 0.312 207 A C -0.413 177.152 177.584 -0.032 0.000 1.321 207 A CA -0.373 51.608 52.037 -0.094 0.000 0.928 207 A CB 0.542 19.588 19.000 0.077 0.000 1.158 207 A HN 0.686 nan 8.150 nan 0.000 0.542 208 V N 2.805 122.700 119.914 -0.032 0.000 2.313 208 V HA 0.586 4.700 4.120 -0.010 0.000 0.278 208 V C 1.209 177.322 176.094 0.032 0.000 1.017 208 V CA 0.577 62.881 62.300 0.007 0.000 0.823 208 V CB 0.513 32.336 31.823 0.000 0.000 1.010 208 V HN 1.722 nan 8.190 nan 0.000 0.443 209 G N 3.838 112.667 108.800 0.048 0.000 2.162 209 G HA2 -0.247 3.708 3.960 -0.010 0.000 0.260 209 G HA3 -0.247 3.708 3.960 -0.010 0.000 0.260 209 G C 0.258 175.188 174.900 0.051 0.000 0.976 209 G CA 0.357 45.490 45.100 0.055 0.000 0.655 209 G HN 0.624 nan 8.290 nan 0.000 0.533 210 Q N -0.125 119.705 119.800 0.051 0.000 2.471 210 Q HA 0.422 4.756 4.340 -0.010 0.000 0.223 210 Q C 0.587 176.620 176.000 0.054 0.000 1.045 210 Q CA -0.003 55.834 55.803 0.057 0.000 0.956 210 Q CB 0.593 29.377 28.738 0.077 0.000 1.249 210 Q HN 0.356 nan 8.270 nan 0.000 0.549 211 K N 0.836 121.267 120.400 0.051 0.000 2.326 211 K HA 0.004 4.318 4.320 -0.010 0.000 0.275 211 K C 0.989 177.618 176.600 0.047 0.000 1.018 211 K CA 0.102 56.416 56.287 0.045 0.000 0.962 211 K CB 0.578 33.102 32.500 0.040 0.000 0.953 211 K HN 0.435 nan 8.250 nan 0.000 0.475 212 R N 1.141 121.666 120.500 0.041 0.000 2.105 212 R HA -0.198 4.136 4.340 -0.010 0.000 0.239 212 R C 2.138 178.459 176.300 0.035 0.000 1.135 212 R CA 2.230 58.354 56.100 0.039 0.000 0.967 212 R CB -0.084 30.236 30.300 0.033 0.000 0.861 212 R HN 0.809 nan 8.270 nan 0.000 0.442 213 S N -1.012 114.707 115.700 0.031 0.000 2.355 213 S HA -0.106 4.358 4.470 -0.010 0.000 0.222 213 S C 1.889 176.506 174.600 0.028 0.000 1.031 213 S CA 1.558 59.774 58.200 0.026 0.000 0.993 213 S CB -0.453 62.761 63.200 0.023 0.000 0.859 213 S HN 0.283 nan 8.310 nan 0.000 0.453 214 T N 2.655 117.231 114.554 0.037 0.000 2.665 214 T HA -0.094 4.250 4.350 -0.010 0.000 0.268 214 T C 1.903 176.627 174.700 0.041 0.000 1.035 214 T CA 1.792 63.917 62.100 0.041 0.000 1.151 214 T CB -0.820 68.081 68.868 0.055 0.000 0.862 214 T HN 0.324 nan 8.240 nan 0.000 0.438 215 V N 1.635 121.583 119.914 0.058 0.000 2.407 215 V HA -0.138 3.976 4.120 -0.010 0.000 0.248 215 V C 2.856 178.966 176.094 0.027 0.000 1.055 215 V CA 1.554 63.893 62.300 0.065 0.000 1.049 215 V CB -1.244 30.635 31.823 0.093 0.000 0.662 215 V HN 0.551 nan 8.190 nan 0.000 0.455 216 A N -0.619 122.214 122.820 0.021 0.000 1.929 216 A HA -0.207 4.107 4.320 -0.010 0.000 0.216 216 A C 2.192 179.772 177.584 -0.007 0.000 1.176 216 A CA 1.440 53.481 52.037 0.007 0.000 0.628 216 A CB -0.359 18.647 19.000 0.010 0.000 0.816 216 A HN 0.612 nan 8.150 nan 0.000 0.444 217 Q N -1.153 118.645 119.800 -0.004 0.000 2.311 217 Q HA -0.006 4.328 4.340 -0.010 0.000 0.203 217 Q C 1.950 177.933 176.000 -0.029 0.000 0.954 217 Q CA 0.987 56.783 55.803 -0.012 0.000 0.885 217 Q CB -0.168 28.570 28.738 0.002 0.000 0.963 217 Q HN 0.600 nan 8.270 nan 0.000 0.471 218 L N -0.099 121.100 121.223 -0.039 0.000 2.095 218 L HA -0.108 4.226 4.340 -0.010 0.000 0.204 218 L C 2.116 178.917 176.870 -0.114 0.000 1.080 218 L CA 0.961 55.746 54.840 -0.092 0.000 0.759 218 L CB -0.235 41.737 42.059 -0.145 0.000 0.914 218 L HN -0.063 nan 8.230 nan 0.000 0.439 219 V N -0.303 119.561 119.914 -0.084 0.000 2.252 219 V HA -0.376 3.738 4.120 -0.010 0.000 0.249 219 V C 2.614 178.668 176.094 -0.066 0.000 1.056 219 V CA 2.095 64.351 62.300 -0.074 0.000 1.022 219 V CB -0.643 31.156 31.823 -0.040 0.000 0.641 219 V HN 0.575 nan 8.190 nan 0.000 0.445 220 Q N -0.216 119.554 119.800 -0.050 0.000 2.248 220 Q HA -0.199 4.135 4.340 -0.010 0.000 0.208 220 Q C 2.066 178.040 176.000 -0.043 0.000 0.984 220 Q CA 2.438 58.215 55.803 -0.043 0.000 0.875 220 Q CB -0.587 28.129 28.738 -0.036 0.000 0.910 220 Q HN 0.676 nan 8.270 nan 0.000 0.433 221 T N -0.164 114.356 114.554 -0.056 0.000 2.942 221 T HA 0.056 4.400 4.350 -0.010 0.000 0.265 221 T C 1.504 176.191 174.700 -0.021 0.000 1.062 221 T CA 0.690 62.760 62.100 -0.050 0.000 1.139 221 T CB -0.008 68.793 68.868 -0.112 0.000 0.883 221 T HN 0.226 nan 8.240 nan 0.000 0.468 222 L N 0.630 121.807 121.223 -0.077 0.000 2.156 222 L HA -0.004 4.330 4.340 -0.010 0.000 0.208 222 L C 2.700 179.530 176.870 -0.067 0.000 1.095 222 L CA 1.027 55.809 54.840 -0.097 0.000 0.770 222 L CB -0.352 41.613 42.059 -0.156 0.000 0.914 222 L HN 0.199 nan 8.230 nan 0.000 0.439 223 E N 0.550 120.718 120.200 -0.054 0.000 2.031 223 E HA -0.241 4.103 4.350 -0.010 0.000 0.193 223 E C 2.211 178.791 176.600 -0.034 0.000 0.994 223 E CA 1.527 57.897 56.400 -0.049 0.000 0.800 223 E CB -0.031 29.642 29.700 -0.045 0.000 0.752 223 E HN 0.356 nan 8.360 nan 0.000 0.447 224 Q N -1.037 118.751 119.800 -0.020 0.000 2.084 224 Q HA -0.171 4.163 4.340 -0.010 0.000 0.202 224 Q C 1.561 177.487 176.000 -0.124 0.000 0.978 224 Q CA 1.613 57.372 55.803 -0.073 0.000 0.844 224 Q CB -0.174 28.507 28.738 -0.095 0.000 0.898 224 Q HN 0.482 nan 8.270 nan 0.000 0.426 225 H N -0.432 118.588 119.070 -0.083 0.000 2.547 225 H HA 0.023 4.573 4.556 -0.010 0.000 0.266 225 H C -0.194 175.107 175.328 -0.045 0.000 0.988 225 H CA 0.741 56.756 56.048 -0.055 0.000 1.147 225 H CB 0.224 29.963 29.762 -0.037 0.000 1.365 225 H HN 0.219 nan 8.280 nan 0.000 0.589 226 D N -1.439 118.970 120.400 0.015 0.000 2.945 226 D HA -0.219 4.415 4.640 -0.010 0.000 0.225 226 D C 1.130 177.389 176.300 -0.067 0.000 1.158 226 D CA 0.769 54.758 54.000 -0.018 0.000 0.805 226 D CB -1.124 39.678 40.800 0.005 0.000 1.098 226 D HN 0.479 nan 8.370 nan 0.000 0.426 227 A N -0.895 121.824 122.820 -0.169 0.000 2.063 227 A HA 0.143 4.457 4.320 -0.010 0.000 0.211 227 A C 1.954 179.057 177.584 -0.802 0.000 1.177 227 A CA 1.101 52.797 52.037 -0.570 0.000 0.759 227 A CB -0.203 18.614 19.000 -0.306 0.000 0.857 227 A HN 0.304 nan 8.150 nan 0.000 0.468 228 M N 1.587 120.964 119.600 -0.372 0.000 2.195 228 M HA -0.218 4.256 4.480 -0.010 0.000 0.260 228 M C 1.901 178.066 176.300 -0.225 0.000 1.066 228 M CA 2.210 57.356 55.300 -0.256 0.000 1.089 228 M CB -0.576 31.943 32.600 -0.136 0.000 1.377 228 M HN 0.526 nan 8.290 nan 0.000 0.411 229 K N -0.687 119.587 120.400 -0.211 0.000 2.280 229 K HA -0.179 4.135 4.320 -0.010 0.000 0.202 229 K C 0.749 177.380 176.600 0.051 0.000 1.047 229 K CA 1.734 57.987 56.287 -0.056 0.000 0.942 229 K CB -0.805 31.701 32.500 0.011 0.000 0.739 229 K HN 0.637 nan 8.250 nan 0.000 0.457 230 Y N 0.121 120.456 120.300 0.059 0.000 2.660 230 Y HA 0.415 4.959 4.550 -0.010 0.000 0.254 230 Y C -0.280 175.668 175.900 0.079 0.000 1.176 230 Y CA -1.108 57.043 58.100 0.085 0.000 1.195 230 Y CB -0.101 38.327 38.460 -0.052 0.000 1.190 230 Y HN 0.104 nan 8.280 nan 0.000 0.535 231 S N 0.238 115.950 115.700 0.019 0.000 2.632 231 S HA 0.837 5.301 4.470 -0.010 0.000 0.289 231 S C -1.048 173.579 174.600 0.044 0.000 1.115 231 S CA -0.784 57.437 58.200 0.035 0.000 0.889 231 S CB 2.148 65.305 63.200 -0.072 0.000 1.116 231 S HN 0.237 nan 8.310 nan 0.000 0.486 232 I N 1.562 122.170 120.570 0.062 0.000 2.499 232 I HA 0.388 4.552 4.170 -0.010 0.000 0.288 232 I C -1.168 174.995 176.117 0.077 0.000 1.048 232 I CA -0.890 60.449 61.300 0.065 0.000 1.062 232 I CB 1.831 39.883 38.000 0.087 0.000 1.238 232 I HN 0.515 nan 8.210 nan 0.000 0.426 233 I N 6.799 127.412 120.570 0.072 0.000 2.321 233 I HA 0.362 4.527 4.170 -0.010 0.000 0.291 233 I C -0.063 176.098 176.117 0.072 0.000 0.998 233 I CA -0.762 60.603 61.300 0.108 0.000 1.227 233 I CB 1.465 39.527 38.000 0.104 0.000 1.368 233 I HN 0.141 nan 8.210 nan 0.000 0.466 234 V N 5.801 125.753 119.914 0.062 0.000 2.384 234 V HA 0.724 4.838 4.120 -0.010 0.000 0.287 234 V C 0.295 176.408 176.094 0.032 0.000 1.020 234 V CA -0.594 61.727 62.300 0.034 0.000 0.850 234 V CB 1.525 33.360 31.823 0.020 0.000 0.987 234 V HN 0.874 nan 8.190 nan 0.000 0.436 235 A N 4.237 127.078 122.820 0.035 0.000 2.319 235 A HA 0.893 5.207 4.320 -0.010 0.000 0.310 235 A C -0.117 177.487 177.584 0.034 0.000 1.152 235 A CA -0.383 51.678 52.037 0.040 0.000 0.783 235 A CB 1.418 20.453 19.000 0.058 0.000 1.184 235 A HN 1.265 nan 8.150 nan 0.000 0.474 236 A N 2.947 125.789 122.820 0.036 0.000 2.431 236 A HA 0.658 4.972 4.320 -0.010 0.000 0.318 236 A C 0.504 178.122 177.584 0.056 0.000 1.330 236 A CA 0.116 52.183 52.037 0.050 0.000 0.804 236 A CB -0.172 18.864 19.000 0.061 0.000 1.135 236 A HN 1.335 nan 8.150 nan 0.000 0.483 237 T N -0.931 113.657 114.554 0.056 0.000 2.814 237 T HA 0.560 4.904 4.350 -0.010 0.000 0.284 237 T C 1.632 176.366 174.700 0.057 0.000 0.998 237 T CA 0.123 62.256 62.100 0.054 0.000 0.935 237 T CB 0.759 69.658 68.868 0.050 0.000 1.167 237 T HN 1.155 nan 8.240 nan 0.000 0.545 238 A N 0.818 123.669 122.820 0.052 0.000 1.958 238 A HA -0.123 4.191 4.320 -0.010 0.000 0.221 238 A C 2.545 180.159 177.584 0.049 0.000 1.178 238 A CA 2.641 54.708 52.037 0.050 0.000 0.642 238 A CB -1.550 17.476 19.000 0.043 0.000 0.816 238 A HN 1.138 nan 8.150 nan 0.000 0.453 239 S N -0.569 115.159 115.700 0.047 0.000 2.486 239 S HA 0.093 4.557 4.470 -0.010 0.000 0.220 239 S C 0.562 175.192 174.600 0.050 0.000 1.011 239 S CA -0.102 58.123 58.200 0.043 0.000 0.921 239 S CB -0.179 63.043 63.200 0.036 0.000 0.785 239 S HN 0.642 nan 8.310 nan 0.000 0.517 240 E N 1.761 121.997 120.200 0.060 0.000 2.390 240 E HA 0.477 4.821 4.350 -0.010 0.000 0.261 240 E C 0.107 176.759 176.600 0.087 0.000 1.076 240 E CA -0.169 56.276 56.400 0.074 0.000 0.905 240 E CB 0.551 30.300 29.700 0.081 0.000 0.984 240 E HN 0.458 nan 8.360 nan 0.000 0.427 241 A N 1.651 124.530 122.820 0.099 0.000 2.520 241 A HA 0.188 4.502 4.320 -0.010 0.000 0.235 241 A C 1.296 178.961 177.584 0.134 0.000 1.065 241 A CA 0.625 52.721 52.037 0.099 0.000 0.764 241 A CB 0.322 19.380 19.000 0.097 0.000 1.002 241 A HN 0.798 nan 8.150 nan 0.000 0.502 242 A N 3.320 126.206 122.820 0.111 0.000 1.892 242 A HA -0.082 4.232 4.320 -0.010 0.000 0.218 242 A C -0.176 177.551 177.584 0.238 0.000 1.188 242 A CA 2.161 54.285 52.037 0.145 0.000 0.631 242 A CB -1.685 17.374 19.000 0.099 0.000 0.822 242 A HN 0.644 nan 8.150 nan 0.000 0.447 243 P HA -0.086 nan 4.420 nan 0.000 0.220 243 P C 1.387 179.053 177.300 0.609 0.000 1.148 243 P CA 0.683 64.020 63.100 0.395 0.000 0.803 243 P CB -0.111 31.645 31.700 0.092 0.000 0.782 244 L N -0.924 120.594 121.223 0.493 0.000 2.046 244 L HA -0.215 4.119 4.340 -0.010 0.000 0.208 244 L C 2.659 179.662 176.870 0.221 0.000 1.077 244 L CA 1.646 56.693 54.840 0.345 0.000 0.747 244 L CB -0.800 41.404 42.059 0.241 0.000 0.896 244 L HN 0.019 nan 8.230 nan 0.000 0.432 245 Q N -1.208 118.724 119.800 0.219 0.000 2.016 245 Q HA -0.258 4.076 4.340 -0.010 0.000 0.200 245 Q C 2.141 178.250 176.000 0.182 0.000 0.978 245 Q CA 1.879 57.780 55.803 0.163 0.000 0.833 245 Q CB -0.464 28.364 28.738 0.150 0.000 0.895 245 Q HN 0.470 nan 8.270 nan 0.000 0.427 246 Y N 1.644 122.046 120.300 0.170 0.000 2.132 246 Y HA -0.324 4.220 4.550 -0.010 0.000 0.280 246 Y C 1.956 178.013 175.900 0.261 0.000 1.193 246 Y CA 1.770 59.992 58.100 0.205 0.000 1.157 246 Y CB -0.390 38.232 38.460 0.269 0.000 0.966 246 Y HN 0.142 nan 8.280 nan 0.000 0.511 247 L N 0.647 121.849 121.223 -0.036 0.000 2.095 247 L HA 0.108 4.442 4.340 -0.010 0.000 0.204 247 L C 2.586 179.448 176.870 -0.012 0.000 1.080 247 L CA 1.818 56.600 54.840 -0.095 0.000 0.759 247 L CB -1.322 40.785 42.059 0.080 0.000 0.914 247 L HN 0.284 nan 8.230 nan 0.000 0.439 248 A N 0.553 123.364 122.820 -0.015 0.000 1.929 248 A HA -0.235 4.079 4.320 -0.010 0.000 0.221 248 A C -0.042 177.506 177.584 -0.060 0.000 1.211 248 A CA 2.591 54.613 52.037 -0.026 0.000 0.657 248 A CB -2.239 16.758 19.000 -0.006 0.000 0.827 248 A HN 0.482 nan 8.150 nan 0.000 0.462 249 P HA -0.017 nan 4.420 nan 0.000 0.222 249 P C 0.946 178.083 177.300 -0.272 0.000 1.153 249 P CA 0.753 63.693 63.100 -0.267 0.000 0.798 249 P CB -0.127 31.136 31.700 -0.729 0.000 0.796 250 F N 0.216 120.070 119.950 -0.161 0.000 2.128 250 F HA -0.128 4.393 4.527 -0.010 0.000 0.295 250 F C 2.396 178.163 175.800 -0.056 0.000 1.100 250 F CA 1.894 59.811 58.000 -0.139 0.000 1.260 250 F CB -2.095 36.767 39.000 -0.229 0.000 1.009 250 F HN -0.068 nan 8.300 nan 0.000 0.476 251 T N -1.842 112.787 114.554 0.125 0.000 2.962 251 T HA -0.020 4.325 4.350 -0.010 0.000 0.270 251 T C 2.034 176.774 174.700 0.068 0.000 1.088 251 T CA 0.819 62.959 62.100 0.066 0.000 1.127 251 T CB -0.674 68.200 68.868 0.010 0.000 0.883 251 T HN 0.211 nan 8.240 nan 0.000 0.493 252 A N 1.711 124.576 122.820 0.076 0.000 1.929 252 A HA 0.454 4.768 4.320 -0.010 0.000 0.216 252 A C 2.804 180.461 177.584 0.122 0.000 1.176 252 A CA 1.406 53.496 52.037 0.088 0.000 0.628 252 A CB -1.297 17.757 19.000 0.090 0.000 0.816 252 A HN 0.670 nan 8.150 nan 0.000 0.444 253 A N -0.270 122.645 122.820 0.159 0.000 1.908 253 A HA -0.099 4.215 4.320 -0.010 0.000 0.218 253 A C 2.443 180.117 177.584 0.150 0.000 1.181 253 A CA 2.164 54.304 52.037 0.171 0.000 0.627 253 A CB -0.899 18.204 19.000 0.172 0.000 0.818 253 A HN 0.449 nan 8.150 nan 0.000 0.445 254 S N -0.164 115.616 115.700 0.133 0.000 2.368 254 S HA -0.108 4.356 4.470 -0.010 0.000 0.225 254 S C 1.804 176.494 174.600 0.149 0.000 1.030 254 S CA 1.420 59.695 58.200 0.124 0.000 0.999 254 S CB -0.509 62.746 63.200 0.091 0.000 0.844 254 S HN 0.538 nan 8.310 nan 0.000 0.459 255 I N 1.491 122.141 120.570 0.134 0.000 2.163 255 I HA -0.189 3.975 4.170 -0.010 0.000 0.243 255 I C 2.685 178.978 176.117 0.294 0.000 1.085 255 I CA 1.309 62.700 61.300 0.152 0.000 1.347 255 I CB -0.858 37.209 38.000 0.111 0.000 1.044 255 I HN 0.383 nan 8.210 nan 0.000 0.408 256 G N 0.064 109.027 108.800 0.272 0.000 2.404 256 G HA2 -0.214 3.740 3.960 -0.010 0.000 0.215 256 G HA3 -0.214 3.740 3.960 -0.010 0.000 0.215 256 G C 1.492 176.627 174.900 0.392 0.000 1.174 256 G CA 0.460 45.764 45.100 0.340 0.000 0.780 256 G HN 0.392 nan 8.290 nan 0.000 0.537 257 E N -0.619 119.736 120.200 0.258 0.000 2.171 257 E HA -0.224 4.120 4.350 -0.010 0.000 0.197 257 E C 1.935 178.647 176.600 0.186 0.000 0.997 257 E CA 0.863 57.380 56.400 0.194 0.000 0.810 257 E CB -0.235 29.546 29.700 0.136 0.000 0.738 257 E HN 0.652 nan 8.360 nan 0.000 0.467 258 W N 0.675 121.982 121.300 0.010 0.000 2.304 258 W HA -0.286 4.368 4.660 -0.010 0.000 0.315 258 W C 1.663 178.066 176.519 -0.193 0.000 1.233 258 W CA 1.927 59.178 57.345 -0.156 0.000 1.261 258 W CB -0.500 28.759 29.460 -0.335 0.000 1.150 258 W HN 0.015 nan 8.180 nan 0.000 0.494 259 F N 0.036 120.108 119.950 0.204 0.000 2.102 259 F HA -0.176 4.345 4.527 -0.010 0.000 0.298 259 F C 2.746 178.505 175.800 -0.068 0.000 1.105 259 F CA 2.195 60.215 58.000 0.034 0.000 1.239 259 F CB -1.326 37.764 39.000 0.150 0.000 0.991 259 F HN -0.183 nan 8.300 nan 0.000 0.474 260 R N 0.670 121.291 120.500 0.201 0.000 2.091 260 R HA -0.187 4.147 4.340 -0.010 0.000 0.238 260 R C 1.480 177.774 176.300 -0.010 0.000 1.136 260 R CA 2.122 58.290 56.100 0.113 0.000 0.959 260 R CB -0.467 29.903 30.300 0.118 0.000 0.856 260 R HN 0.211 nan 8.270 nan 0.000 0.437 261 D N -0.059 120.278 120.400 -0.105 0.000 2.277 261 D HA -0.047 4.587 4.640 -0.010 0.000 0.208 261 D C 0.356 176.479 176.300 -0.295 0.000 0.962 261 D CA 0.787 54.678 54.000 -0.181 0.000 0.865 261 D CB -0.046 40.633 40.800 -0.201 0.000 0.939 261 D HN 0.261 nan 8.370 nan 0.000 0.510 262 N N 0.078 118.508 118.700 -0.450 0.000 2.458 262 N HA 0.182 4.916 4.740 -0.010 0.000 0.274 262 N C 0.695 176.019 175.510 -0.309 0.000 1.242 262 N CA 0.065 52.804 53.050 -0.518 0.000 0.904 262 N CB 1.351 39.207 38.487 -1.053 0.000 1.206 262 N HN 0.052 nan 8.380 nan 0.000 0.510 263 G N 1.251 109.947 108.800 -0.174 0.000 2.203 263 G HA2 -0.310 3.644 3.960 -0.010 0.000 0.263 263 G HA3 -0.310 3.644 3.960 -0.010 0.000 0.263 263 G C 0.204 175.017 174.900 -0.145 0.000 1.012 263 G CA 0.711 45.748 45.100 -0.105 0.000 0.749 263 G HN 0.348 nan 8.290 nan 0.000 0.512 264 K N -0.953 119.379 120.400 -0.114 0.000 2.312 264 K HA 0.680 4.994 4.320 -0.010 0.000 0.236 264 K C -0.741 175.840 176.600 -0.031 0.000 1.079 264 K CA -1.050 55.155 56.287 -0.136 0.000 0.900 264 K CB 1.067 33.665 32.500 0.164 0.000 1.297 264 K HN 0.225 nan 8.250 nan 0.000 0.498 265 H N -0.226 118.970 119.070 0.209 0.000 2.860 265 H HA 0.415 4.966 4.556 -0.010 0.000 0.312 265 H C -1.028 174.344 175.328 0.074 0.000 0.995 265 H CA -0.849 55.262 56.048 0.104 0.000 1.311 265 H CB 1.332 31.098 29.762 0.007 0.000 1.478 265 H HN 0.680 nan 8.280 nan 0.000 0.508 266 A N 3.233 126.150 122.820 0.162 0.000 2.312 266 A HA 0.545 4.859 4.320 -0.010 0.000 0.326 266 A C -0.576 177.009 177.584 0.001 0.000 1.172 266 A CA -0.687 51.347 52.037 -0.004 0.000 0.821 266 A CB 0.963 19.957 19.000 -0.010 0.000 1.166 266 A HN 0.516 nan 8.150 nan 0.000 0.493 267 L N 2.919 124.119 121.223 -0.038 0.000 2.305 267 L HA 0.730 5.064 4.340 -0.010 0.000 0.284 267 L C -0.802 176.018 176.870 -0.082 0.000 1.013 267 L CA -0.342 54.469 54.840 -0.049 0.000 0.819 267 L CB 1.051 43.087 42.059 -0.038 0.000 1.227 267 L HN 0.652 nan 8.230 nan 0.000 0.417 268 I N 5.364 125.844 120.570 -0.149 0.000 2.404 268 I HA 0.548 4.712 4.170 -0.010 0.000 0.293 268 I C -1.188 174.669 176.117 -0.435 0.000 0.992 268 I CA -0.592 60.523 61.300 -0.309 0.000 1.149 268 I CB 1.639 39.401 38.000 -0.398 0.000 1.315 268 I HN 0.415 nan 8.210 nan 0.000 0.446 269 V N 8.340 128.000 119.914 -0.423 0.000 2.350 269 V HA 0.301 4.415 4.120 -0.010 0.000 0.285 269 V C -1.088 174.701 176.094 -0.508 0.000 1.014 269 V CA -0.461 61.620 62.300 -0.365 0.000 0.831 269 V CB 1.001 32.769 31.823 -0.091 0.000 1.000 269 V HN 0.468 nan 8.190 nan 0.000 0.433 270 Y N 2.597 122.777 120.300 -0.200 0.000 2.477 270 Y HA 0.494 5.038 4.550 -0.010 0.000 0.349 270 Y C 0.323 176.080 175.900 -0.239 0.000 0.977 270 Y CA -1.032 56.926 58.100 -0.238 0.000 1.214 270 Y CB 0.759 39.093 38.460 -0.210 0.000 1.124 270 Y HN 0.542 nan 8.280 nan 0.000 0.521 271 D N 3.373 123.664 120.400 -0.181 0.000 2.404 271 D HA 0.197 4.831 4.640 -0.010 0.000 0.267 271 D C -1.410 174.828 176.300 -0.103 0.000 1.194 271 D CA -0.438 53.458 54.000 -0.174 0.000 0.910 271 D CB 0.227 40.840 40.800 -0.311 0.000 1.090 271 D HN 0.621 nan 8.370 nan 0.000 0.511 272 D N 0.283 120.657 120.400 -0.043 0.000 2.559 272 D HA 0.215 4.849 4.640 -0.010 0.000 0.250 272 D C 0.899 177.179 176.300 -0.033 0.000 1.135 272 D CA -0.744 53.234 54.000 -0.036 0.000 0.955 272 D CB 0.893 41.678 40.800 -0.026 0.000 1.442 272 D HN 0.093 nan 8.370 nan 0.000 0.471 273 L N 0.195 121.371 121.223 -0.078 0.000 2.376 273 L HA -0.049 4.285 4.340 -0.010 0.000 0.219 273 L C 1.905 178.776 176.870 0.002 0.000 1.133 273 L CA 0.591 55.366 54.840 -0.107 0.000 0.816 273 L CB -0.431 41.365 42.059 -0.437 0.000 0.933 273 L HN 0.363 nan 8.230 nan 0.000 0.449 274 S N 0.453 116.148 115.700 -0.009 0.000 2.351 274 S HA -0.216 4.248 4.470 -0.010 0.000 0.220 274 S C 1.947 176.612 174.600 0.108 0.000 1.035 274 S CA 1.464 59.695 58.200 0.051 0.000 1.031 274 S CB -0.158 63.068 63.200 0.044 0.000 0.928 274 S HN 0.396 nan 8.310 nan 0.000 0.433 275 K N 0.937 121.387 120.400 0.083 0.000 2.097 275 K HA -0.078 4.236 4.320 -0.010 0.000 0.205 275 K C 2.520 179.197 176.600 0.128 0.000 1.050 275 K CA 0.883 57.230 56.287 0.101 0.000 0.938 275 K CB -0.184 32.358 32.500 0.070 0.000 0.718 275 K HN 0.345 nan 8.250 nan 0.000 0.442 276 Q N 0.720 120.586 119.800 0.110 0.000 2.061 276 Q HA -0.207 4.128 4.340 -0.010 0.000 0.204 276 Q C 2.085 178.207 176.000 0.204 0.000 0.984 276 Q CA 1.852 57.734 55.803 0.133 0.000 0.846 276 Q CB -0.145 28.626 28.738 0.055 0.000 0.902 276 Q HN 0.345 nan 8.270 nan 0.000 0.421 277 A N -0.097 122.847 122.820 0.206 0.000 1.940 277 A HA -0.140 4.174 4.320 -0.010 0.000 0.219 277 A C 2.225 180.051 177.584 0.402 0.000 1.176 277 A CA 1.539 53.708 52.037 0.220 0.000 0.631 277 A CB -0.686 18.357 19.000 0.071 0.000 0.814 277 A HN 0.313 nan 8.150 nan 0.000 0.446 278 V N -0.246 119.877 119.914 0.347 0.000 2.295 278 V HA -0.251 3.863 4.120 -0.010 0.000 0.246 278 V C 3.071 179.293 176.094 0.214 0.000 1.049 278 V CA 1.935 64.412 62.300 0.295 0.000 1.024 278 V CB -1.191 30.751 31.823 0.198 0.000 0.648 278 V HN 0.628 nan 8.190 nan 0.000 0.447 279 A N -0.937 122.010 122.820 0.212 0.000 1.908 279 A HA -0.298 4.016 4.320 -0.010 0.000 0.218 279 A C 2.183 179.902 177.584 0.225 0.000 1.181 279 A CA 2.248 54.404 52.037 0.198 0.000 0.627 279 A CB -0.832 18.302 19.000 0.223 0.000 0.818 279 A HN 0.625 nan 8.150 nan 0.000 0.445 280 Y N 0.357 120.746 120.300 0.148 0.000 2.224 280 Y HA -0.161 4.383 4.550 -0.010 0.000 0.289 280 Y C 2.471 178.415 175.900 0.072 0.000 1.146 280 Y CA 1.810 59.965 58.100 0.092 0.000 1.182 280 Y CB -0.393 38.140 38.460 0.122 0.000 0.983 280 Y HN 0.355 nan 8.280 nan 0.000 0.524 281 R N 0.258 120.813 120.500 0.092 0.000 2.096 281 R HA -0.241 4.094 4.340 -0.010 0.000 0.235 281 R C 2.415 178.653 176.300 -0.104 0.000 1.127 281 R CA 1.816 57.900 56.100 -0.027 0.000 0.968 281 R CB -0.328 29.973 30.300 0.002 0.000 0.861 281 R HN 0.580 nan 8.270 nan 0.000 0.440 282 Q N 0.600 120.372 119.800 -0.047 0.000 1.993 282 Q HA -0.205 4.129 4.340 -0.010 0.000 0.202 282 Q C 2.200 178.144 176.000 -0.094 0.000 0.984 282 Q CA 1.817 57.589 55.803 -0.051 0.000 0.837 282 Q CB -0.271 28.465 28.738 -0.003 0.000 0.902 282 Q HN 0.475 nan 8.270 nan 0.000 0.423 283 L N 0.448 121.603 121.223 -0.112 0.000 1.997 283 L HA -0.275 4.059 4.340 -0.010 0.000 0.216 283 L C 2.482 179.213 176.870 -0.232 0.000 1.074 283 L CA 1.933 56.673 54.840 -0.166 0.000 0.763 283 L CB -0.311 41.632 42.059 -0.194 0.000 0.890 283 L HN 0.311 nan 8.230 nan 0.000 0.434 284 S N -0.347 115.144 115.700 -0.348 0.000 2.356 284 S HA -0.165 4.299 4.470 -0.010 0.000 0.223 284 S C 1.817 176.310 174.600 -0.178 0.000 1.032 284 S CA 1.406 59.411 58.200 -0.325 0.000 1.005 284 S CB -0.347 62.597 63.200 -0.427 0.000 0.867 284 S HN 0.339 nan 8.310 nan 0.000 0.449 285 L N 0.964 122.100 121.223 -0.145 0.000 2.141 285 L HA 0.002 4.336 4.340 -0.010 0.000 0.209 285 L C 2.074 178.894 176.870 -0.082 0.000 1.094 285 L CA 0.803 55.584 54.840 -0.099 0.000 0.763 285 L CB -0.508 41.499 42.059 -0.088 0.000 0.908 285 L HN 0.264 nan 8.230 nan 0.000 0.437 286 L N -0.686 120.485 121.223 -0.087 0.000 2.291 286 L HA -0.152 4.182 4.340 -0.010 0.000 0.214 286 L C 2.032 178.860 176.870 -0.070 0.000 1.120 286 L CA 0.820 55.617 54.840 -0.070 0.000 0.799 286 L CB -0.182 41.837 42.059 -0.068 0.000 0.925 286 L HN 0.285 nan 8.230 nan 0.000 0.446 287 L N -0.560 120.612 121.223 -0.087 0.000 2.592 287 L HA 0.116 4.450 4.340 -0.010 0.000 0.227 287 L C 0.590 177.423 176.870 -0.062 0.000 1.127 287 L CA 0.044 54.838 54.840 -0.076 0.000 0.884 287 L CB -0.026 41.974 42.059 -0.098 0.000 1.065 287 L HN 0.222 nan 8.230 nan 0.000 0.457 288 R N 0.275 120.738 120.500 -0.061 0.000 3.531 288 R HA -0.141 4.193 4.340 -0.010 0.000 0.280 288 R C -0.400 175.876 176.300 -0.041 0.000 1.130 288 R CA 0.261 56.333 56.100 -0.047 0.000 0.757 288 R CB -1.854 28.425 30.300 -0.034 0.000 1.218 288 R HN 0.305 nan 8.270 nan 0.000 0.454 289 R N 0.929 121.397 120.500 -0.053 0.000 2.490 289 R HA 0.198 4.532 4.340 -0.010 0.000 0.280 289 R C -2.082 174.203 176.300 -0.025 0.000 1.077 289 R CA -1.996 54.082 56.100 -0.037 0.000 1.065 289 R CB 0.163 30.432 30.300 -0.051 0.000 1.003 289 R HN -0.117 nan 8.270 nan 0.000 0.470 290 P HA -0.023 nan 4.420 nan 0.000 0.255 290 P C -2.207 175.098 177.300 0.008 0.000 1.161 290 P CA -0.353 62.747 63.100 -0.000 0.000 0.768 290 P CB -0.048 31.659 31.700 0.011 0.000 0.746 291 P HA 0.176 nan 4.420 nan 0.000 0.281 291 P C 0.392 177.702 177.300 0.017 0.000 1.252 291 P CA 0.115 63.218 63.100 0.005 0.000 0.778 291 P CB 1.397 33.082 31.700 -0.026 0.000 0.895 292 G N 3.049 111.881 108.800 0.053 0.000 3.075 292 G HA2 0.263 4.217 3.960 -0.010 0.000 0.156 292 G HA3 0.263 4.217 3.960 -0.010 0.000 0.156 292 G C -0.306 174.588 174.900 -0.010 0.000 1.403 292 G CA -0.835 44.280 45.100 0.024 0.000 1.033 292 G HN 0.494 nan 8.290 nan 0.000 0.589 293 R N 0.809 121.239 120.500 -0.118 0.000 2.500 293 R HA 0.016 4.350 4.340 -0.010 0.000 0.281 293 R C 0.178 176.505 176.300 0.045 0.000 0.953 293 R CA 0.913 56.892 56.100 -0.202 0.000 1.108 293 R CB -0.288 29.556 30.300 -0.760 0.000 0.901 293 R HN 0.673 nan 8.270 nan 0.000 0.410 294 E N 2.712 122.940 120.200 0.046 0.000 2.365 294 E HA -0.341 4.003 4.350 -0.010 0.000 0.237 294 E C 0.372 176.911 176.600 -0.102 0.000 1.238 294 E CA 0.426 56.860 56.400 0.056 0.000 0.718 294 E CB -1.333 28.499 29.700 0.221 0.000 1.218 294 E HN 0.851 nan 8.360 nan 0.000 0.387 295 A N -1.949 120.831 122.820 -0.067 0.000 2.799 295 A HA -0.309 4.005 4.320 -0.010 0.000 0.274 295 A C 0.049 177.551 177.584 -0.136 0.000 1.393 295 A CA 1.810 53.781 52.037 -0.110 0.000 0.909 295 A CB -1.964 16.947 19.000 -0.148 0.000 1.012 295 A HN 0.460 nan 8.150 nan 0.000 0.653 296 Y N 0.351 120.728 120.300 0.127 0.000 2.336 296 Y HA 0.447 4.991 4.550 -0.010 0.000 0.331 296 Y C -1.090 174.899 175.900 0.149 0.000 1.211 296 Y CA -1.327 56.873 58.100 0.168 0.000 1.346 296 Y CB 0.317 38.961 38.460 0.308 0.000 1.271 296 Y HN 0.244 nan 8.280 nan 0.000 0.538 297 P HA 0.038 nan 4.420 nan 0.000 0.274 297 P C 0.597 178.054 177.300 0.262 0.000 1.256 297 P CA 0.016 63.221 63.100 0.176 0.000 0.795 297 P CB 0.850 32.584 31.700 0.056 0.000 1.038 298 G N 1.030 109.950 108.800 0.198 0.000 2.450 298 G HA2 -0.228 3.726 3.960 -0.010 0.000 0.220 298 G HA3 -0.228 3.726 3.960 -0.010 0.000 0.220 298 G C 0.711 175.772 174.900 0.268 0.000 1.130 298 G CA 0.834 46.061 45.100 0.212 0.000 0.760 298 G HN 0.668 nan 8.290 nan 0.000 0.557 299 D N 0.153 120.728 120.400 0.292 0.000 2.491 299 D HA 0.121 4.755 4.640 -0.010 0.000 0.228 299 D C 1.594 178.096 176.300 0.336 0.000 1.183 299 D CA -0.396 53.811 54.000 0.344 0.000 0.827 299 D CB 0.291 41.311 40.800 0.367 0.000 0.989 299 D HN 0.130 nan 8.370 nan 0.000 0.494 300 V N -0.219 119.867 119.914 0.287 0.000 2.719 300 V HA -0.055 4.059 4.120 -0.010 0.000 0.252 300 V C 1.701 177.772 176.094 -0.038 0.000 1.065 300 V CA 0.768 63.135 62.300 0.111 0.000 1.086 300 V CB -0.734 31.128 31.823 0.065 0.000 0.700 300 V HN 0.205 nan 8.190 nan 0.000 0.467 301 F N 0.396 120.320 119.950 -0.044 0.000 2.102 301 F HA -0.209 4.312 4.527 -0.010 0.000 0.298 301 F C 2.167 178.005 175.800 0.064 0.000 1.105 301 F CA 2.434 60.423 58.000 -0.018 0.000 1.239 301 F CB -0.766 38.256 39.000 0.036 0.000 0.991 301 F HN 0.369 nan 8.300 nan 0.000 0.474 302 Y N 0.857 121.095 120.300 -0.102 0.000 2.181 302 Y HA -0.194 4.350 4.550 -0.010 0.000 0.288 302 Y C 2.241 178.013 175.900 -0.214 0.000 1.146 302 Y CA 1.678 59.670 58.100 -0.179 0.000 1.164 302 Y CB -1.143 37.331 38.460 0.023 0.000 0.982 302 Y HN 0.247 nan 8.280 nan 0.000 0.515 303 L N 0.117 121.121 121.223 -0.366 0.000 1.991 303 L HA -0.335 3.999 4.340 -0.010 0.000 0.221 303 L C 2.256 178.886 176.870 -0.400 0.000 1.079 303 L CA 2.732 57.282 54.840 -0.483 0.000 0.778 303 L CB -1.070 40.599 42.059 -0.650 0.000 0.893 303 L HN 0.392 nan 8.230 nan 0.000 0.437 304 H N -1.189 117.686 119.070 -0.326 0.000 2.333 304 H HA -0.091 4.459 4.556 -0.010 0.000 0.302 304 H C 2.471 177.578 175.328 -0.369 0.000 1.075 304 H CA 1.345 57.175 56.048 -0.363 0.000 1.348 304 H CB -0.205 29.363 29.762 -0.323 0.000 1.393 304 H HN 0.615 nan 8.280 nan 0.000 0.509 305 S N 1.778 117.252 115.700 -0.378 0.000 2.359 305 S HA -0.317 4.147 4.470 -0.010 0.000 0.223 305 S C 2.144 176.645 174.600 -0.166 0.000 1.039 305 S CA 1.658 59.632 58.200 -0.378 0.000 1.042 305 S CB -0.438 62.357 63.200 -0.676 0.000 0.915 305 S HN 0.603 nan 8.310 nan 0.000 0.439 306 R N 0.878 121.285 120.500 -0.154 0.000 2.120 306 R HA 0.007 4.341 4.340 -0.010 0.000 0.234 306 R C 2.316 178.606 176.300 -0.017 0.000 1.123 306 R CA 1.321 57.382 56.100 -0.065 0.000 0.975 306 R CB -0.784 29.419 30.300 -0.161 0.000 0.866 306 R HN 0.469 nan 8.270 nan 0.000 0.446 307 L N 1.599 122.788 121.223 -0.057 0.000 1.937 307 L HA -0.078 4.256 4.340 -0.010 0.000 0.213 307 L C 2.229 179.038 176.870 -0.102 0.000 1.077 307 L CA 1.694 56.447 54.840 -0.145 0.000 0.758 307 L CB -0.495 41.263 42.059 -0.502 0.000 0.888 307 L HN 0.208 nan 8.230 nan 0.000 0.433 308 L N -0.291 120.858 121.223 -0.124 0.000 2.450 308 L HA -0.130 4.204 4.340 -0.010 0.000 0.224 308 L C 2.271 179.142 176.870 0.001 0.000 1.149 308 L CA 0.595 55.411 54.840 -0.039 0.000 0.816 308 L CB -0.636 41.385 42.059 -0.062 0.000 0.932 308 L HN 0.445 nan 8.230 nan 0.000 0.449 309 E N 0.373 120.570 120.200 -0.005 0.000 2.427 309 E HA -0.087 4.257 4.350 -0.010 0.000 0.196 309 E C 1.783 178.405 176.600 0.037 0.000 1.028 309 E CA 0.351 56.763 56.400 0.019 0.000 0.864 309 E CB 0.208 29.921 29.700 0.022 0.000 0.813 309 E HN 0.487 nan 8.360 nan 0.000 0.514 310 R N 0.241 120.768 120.500 0.046 0.000 2.313 310 R HA 0.130 4.465 4.340 -0.010 0.000 0.199 310 R C 0.588 176.929 176.300 0.069 0.000 0.958 310 R CA 0.024 56.161 56.100 0.063 0.000 1.047 310 R CB 0.379 30.727 30.300 0.079 0.000 0.955 310 R HN -0.095 nan 8.270 nan 0.000 0.481 311 A N 1.097 123.956 122.820 0.064 0.000 2.328 311 A HA 0.707 5.021 4.320 -0.010 0.000 0.284 311 A C -0.320 177.289 177.584 0.041 0.000 1.160 311 A CA -0.185 51.885 52.037 0.055 0.000 0.818 311 A CB 0.688 19.718 19.000 0.051 0.000 1.087 311 A HN 0.256 nan 8.150 nan 0.000 0.504 312 A N 2.196 125.038 122.820 0.037 0.000 2.608 312 A HA 0.687 5.001 4.320 -0.010 0.000 0.292 312 A C -0.834 176.766 177.584 0.027 0.000 1.066 312 A CA -0.736 51.320 52.037 0.031 0.000 0.676 312 A CB 1.004 20.025 19.000 0.035 0.000 1.277 312 A HN 0.912 nan 8.150 nan 0.000 0.413 313 K N 1.153 121.566 120.400 0.022 0.000 2.213 313 K HA 0.708 5.022 4.320 -0.010 0.000 0.270 313 K C -1.181 175.440 176.600 0.035 0.000 1.002 313 K CA -0.216 56.086 56.287 0.025 0.000 0.868 313 K CB 0.566 33.083 32.500 0.028 0.000 1.093 313 K HN 0.582 nan 8.250 nan 0.000 0.454 314 L N 3.168 124.418 121.223 0.045 0.000 2.379 314 L HA 0.362 4.696 4.340 -0.010 0.000 0.269 314 L C 0.270 177.160 176.870 0.032 0.000 1.084 314 L CA -0.817 54.043 54.840 0.035 0.000 0.802 314 L CB 1.578 43.655 42.059 0.031 0.000 1.175 314 L HN 0.867 nan 8.230 nan 0.000 0.448 315 S N -0.098 115.613 115.700 0.017 0.000 2.585 315 S HA 0.073 4.537 4.470 -0.010 0.000 0.273 315 S C 0.751 175.357 174.600 0.010 0.000 1.339 315 S CA -0.627 57.578 58.200 0.008 0.000 1.028 315 S CB 1.063 64.263 63.200 0.000 0.000 0.906 315 S HN 0.696 nan 8.310 nan 0.000 0.528 316 E N 0.688 120.892 120.200 0.007 0.000 2.273 316 E HA -0.172 4.172 4.350 -0.010 0.000 0.198 316 E C 1.598 178.198 176.600 -0.000 0.000 1.002 316 E CA 0.776 57.180 56.400 0.008 0.000 0.828 316 E CB -0.052 29.650 29.700 0.004 0.000 0.747 316 E HN 0.632 nan 8.360 nan 0.000 0.491 317 K N 0.472 120.870 120.400 -0.003 0.000 2.504 317 K HA -0.094 4.220 4.320 -0.010 0.000 0.195 317 K C 0.742 177.337 176.600 -0.009 0.000 1.036 317 K CA 0.722 57.005 56.287 -0.006 0.000 0.984 317 K CB 0.375 32.871 32.500 -0.006 0.000 0.788 317 K HN 0.031 nan 8.250 nan 0.000 0.488 318 E N -1.294 118.902 120.200 -0.007 0.000 2.601 318 E HA 0.105 4.449 4.350 -0.010 0.000 0.219 318 E C 0.610 177.198 176.600 -0.020 0.000 0.964 318 E CA 0.418 56.810 56.400 -0.013 0.000 1.050 318 E CB 1.525 31.221 29.700 -0.007 0.000 1.068 318 E HN 0.382 nan 8.360 nan 0.000 0.496 319 G N 1.314 110.107 108.800 -0.013 0.000 2.163 319 G HA2 -0.303 3.651 3.960 -0.010 0.000 0.213 319 G HA3 -0.303 3.651 3.960 -0.010 0.000 0.213 319 G C 0.654 175.560 174.900 0.011 0.000 0.991 319 G CA 0.289 45.378 45.100 -0.018 0.000 0.653 319 G HN 0.077 nan 8.290 nan 0.000 0.518 320 S N -1.576 114.146 115.700 0.036 0.000 3.017 320 S HA -0.207 4.257 4.470 -0.010 0.000 0.283 320 S C 1.791 176.482 174.600 0.151 0.000 1.304 320 S CA 1.879 60.131 58.200 0.087 0.000 1.224 320 S CB -1.271 61.991 63.200 0.104 0.000 1.480 320 S HN 2.295 nan 8.310 nan 0.000 0.698 321 G N 1.366 110.230 108.800 0.108 0.000 2.484 321 G HA2 0.410 4.364 3.960 -0.010 0.000 0.235 321 G HA3 0.410 4.364 3.960 -0.010 0.000 0.235 321 G C -0.079 174.934 174.900 0.188 0.000 1.282 321 G CA 0.536 45.734 45.100 0.163 0.000 0.857 321 G HN 1.162 nan 8.290 nan 0.000 0.571 322 S N 1.003 116.875 115.700 0.287 0.000 2.614 322 S HA 0.548 5.012 4.470 -0.010 0.000 0.288 322 S C -0.961 173.712 174.600 0.122 0.000 1.137 322 S CA -0.893 57.382 58.200 0.124 0.000 0.992 322 S CB 1.847 65.009 63.200 -0.064 0.000 1.026 322 S HN 0.610 nan 8.310 nan 0.000 0.486 323 L N 3.013 124.285 121.223 0.082 0.000 2.325 323 L HA 0.761 5.095 4.340 -0.010 0.000 0.279 323 L C -0.429 176.456 176.870 0.024 0.000 1.054 323 L CA 0.472 55.354 54.840 0.070 0.000 0.804 323 L CB 1.830 43.940 42.059 0.085 0.000 1.200 323 L HN 0.952 nan 8.230 nan 0.000 0.436 324 T N 4.163 118.717 114.554 0.001 0.000 2.879 324 T HA 0.768 5.112 4.350 -0.010 0.000 0.290 324 T C -0.786 173.889 174.700 -0.042 0.000 0.993 324 T CA -0.455 61.630 62.100 -0.024 0.000 0.975 324 T CB 1.502 70.341 68.868 -0.049 0.000 0.981 324 T HN 0.750 nan 8.240 nan 0.000 0.439 325 A N 3.560 126.365 122.820 -0.024 0.000 2.304 325 A HA 0.794 5.108 4.320 -0.010 0.000 0.323 325 A C -0.389 177.174 177.584 -0.035 0.000 1.195 325 A CA -0.711 51.301 52.037 -0.041 0.000 0.826 325 A CB 0.423 19.473 19.000 0.083 0.000 1.184 325 A HN 0.871 nan 8.150 nan 0.000 0.496 326 L N 4.856 126.032 121.223 -0.079 0.000 2.435 326 L HA 0.322 4.656 4.340 -0.010 0.000 0.253 326 L C -2.325 174.528 176.870 -0.028 0.000 1.087 326 L CA -1.712 53.103 54.840 -0.041 0.000 0.950 326 L CB 1.228 43.263 42.059 -0.040 0.000 1.304 326 L HN 0.500 nan 8.230 nan 0.000 0.453 327 P HA 0.145 nan 4.420 nan 0.000 0.275 327 P C -0.505 176.792 177.300 -0.006 0.000 1.228 327 P CA -0.186 62.954 63.100 0.067 0.000 0.786 327 P CB 2.056 33.777 31.700 0.035 0.000 0.927 328 V N 4.161 124.063 119.914 -0.021 0.000 2.417 328 V HA 0.339 4.454 4.120 -0.010 0.000 0.291 328 V C 0.491 176.554 176.094 -0.052 0.000 1.024 328 V CA -0.603 61.677 62.300 -0.032 0.000 0.861 328 V CB 1.418 33.225 31.823 -0.027 0.000 0.985 328 V HN 0.432 nan 8.190 nan 0.000 0.436 329 I N 3.492 124.037 120.570 -0.043 0.000 2.493 329 I HA 0.452 4.616 4.170 -0.010 0.000 0.298 329 I C 0.132 176.243 176.117 -0.011 0.000 0.998 329 I CA -0.407 60.871 61.300 -0.037 0.000 1.137 329 I CB 2.084 40.059 38.000 -0.041 0.000 1.310 329 I HN 0.748 nan 8.210 nan 0.000 0.445 330 E N 4.608 124.809 120.200 0.001 0.000 2.092 330 E HA 0.284 4.628 4.350 -0.010 0.000 0.271 330 E C -0.384 176.239 176.600 0.038 0.000 0.919 330 E CA -0.442 55.962 56.400 0.007 0.000 0.760 330 E CB 0.963 30.667 29.700 0.008 0.000 1.106 330 E HN 0.714 nan 8.360 nan 0.000 0.408 331 T N 1.935 116.521 114.554 0.054 0.000 2.766 331 T HA 0.165 4.509 4.350 -0.010 0.000 0.295 331 T C 0.192 174.933 174.700 0.068 0.000 1.024 331 T CA -0.761 61.392 62.100 0.089 0.000 1.018 331 T CB 1.101 70.064 68.868 0.158 0.000 1.002 331 T HN 0.349 nan 8.240 nan 0.000 0.532 332 Q N 0.520 120.367 119.800 0.077 0.000 2.348 332 Q HA 0.443 4.777 4.340 -0.010 0.000 0.265 332 Q C 0.883 176.921 176.000 0.062 0.000 0.998 332 Q CA -0.056 55.783 55.803 0.062 0.000 0.831 332 Q CB 1.307 30.084 28.738 0.064 0.000 1.251 332 Q HN 1.288 nan 8.270 nan 0.000 0.456 333 G N 1.909 110.739 108.800 0.049 0.000 2.366 333 G HA2 -0.235 3.719 3.960 -0.010 0.000 0.299 333 G HA3 -0.235 3.719 3.960 -0.010 0.000 0.299 333 G C 0.858 175.804 174.900 0.077 0.000 1.020 333 G CA 0.970 46.099 45.100 0.049 0.000 1.026 333 G HN 1.225 nan 8.290 nan 0.000 0.512 334 G N -0.795 108.074 108.800 0.115 0.000 2.175 334 G HA2 -0.254 3.700 3.960 -0.010 0.000 0.265 334 G HA3 -0.254 3.700 3.960 -0.010 0.000 0.265 334 G C 0.274 175.279 174.900 0.175 0.000 0.979 334 G CA 1.084 46.309 45.100 0.209 0.000 0.663 334 G HN 1.542 nan 8.290 nan 0.000 0.533 335 D N 0.230 120.700 120.400 0.117 0.000 2.365 335 D HA 0.444 5.078 4.640 -0.010 0.000 0.237 335 D C 1.621 177.965 176.300 0.074 0.000 1.190 335 D CA 0.205 54.248 54.000 0.073 0.000 0.867 335 D CB 1.056 41.893 40.800 0.063 0.000 1.050 335 D HN 0.562 nan 8.370 nan 0.000 0.491 336 V N 1.256 121.182 119.914 0.021 0.000 3.608 336 V HA 0.083 4.197 4.120 -0.010 0.000 0.269 336 V C 1.209 177.314 176.094 0.017 0.000 1.245 336 V CA 0.532 62.836 62.300 0.007 0.000 1.138 336 V CB -0.116 31.639 31.823 -0.112 0.000 0.841 336 V HN 0.382 nan 8.190 nan 0.000 0.451 337 S N 1.329 117.043 115.700 0.024 0.000 2.593 337 S HA 0.541 5.005 4.470 -0.010 0.000 0.217 337 S C 1.190 175.836 174.600 0.077 0.000 0.966 337 S CA 0.375 58.598 58.200 0.038 0.000 0.914 337 S CB -0.184 63.031 63.200 0.024 0.000 0.776 337 S HN 0.889 nan 8.310 nan 0.000 0.523 338 A N 1.001 123.877 122.820 0.093 0.000 2.429 338 A HA 0.319 4.633 4.320 -0.010 0.000 0.242 338 A C 0.966 178.667 177.584 0.194 0.000 1.088 338 A CA -0.232 51.888 52.037 0.138 0.000 0.784 338 A CB -0.144 18.936 19.000 0.135 0.000 1.038 338 A HN 0.282 nan 8.150 nan 0.000 0.501 339 Y N 1.101 121.445 120.300 0.073 0.000 2.070 339 Y HA -0.217 4.327 4.550 -0.010 0.000 0.280 339 Y C 1.904 177.823 175.900 0.032 0.000 1.148 339 Y CA 2.230 60.368 58.100 0.063 0.000 1.125 339 Y CB -0.199 38.324 38.460 0.105 0.000 0.975 339 Y HN 0.496 nan 8.280 nan 0.000 0.492 340 I N 0.291 120.838 120.570 -0.038 0.000 2.353 340 I HA -0.132 4.032 4.170 -0.010 0.000 0.248 340 I C -0.495 175.582 176.117 -0.065 0.000 1.119 340 I CA 0.848 62.039 61.300 -0.183 0.000 1.417 340 I CB -2.782 35.084 38.000 -0.224 0.000 1.078 340 I HN 0.152 nan 8.210 nan 0.000 0.421 341 P HA -0.143 nan 4.420 nan 0.000 0.215 341 P C 1.881 179.195 177.300 0.024 0.000 1.157 341 P CA 2.374 65.487 63.100 0.022 0.000 0.868 341 P CB -0.261 31.473 31.700 0.058 0.000 0.788 342 T N -3.993 110.588 114.554 0.045 0.000 2.915 342 T HA -0.087 4.257 4.350 -0.010 0.000 0.269 342 T C 1.710 176.446 174.700 0.061 0.000 1.071 342 T CA 1.113 63.244 62.100 0.052 0.000 1.132 342 T CB -0.913 67.998 68.868 0.072 0.000 0.878 342 T HN -0.058 nan 8.240 nan 0.000 0.479 343 N N 1.402 120.131 118.700 0.048 0.000 2.062 343 N HA -0.009 4.725 4.740 -0.010 0.000 0.191 343 N C 2.011 177.626 175.510 0.176 0.000 1.042 343 N CA 1.338 54.477 53.050 0.150 0.000 0.845 343 N CB -0.802 37.750 38.487 0.107 0.000 1.024 343 N HN 0.321 nan 8.380 nan 0.000 0.424 344 V N 1.696 121.636 119.914 0.042 0.000 2.427 344 V HA -0.119 3.995 4.120 -0.010 0.000 0.248 344 V C 2.205 178.308 176.094 0.015 0.000 1.051 344 V CA 0.989 63.274 62.300 -0.025 0.000 1.048 344 V CB -0.453 31.273 31.823 -0.162 0.000 0.666 344 V HN 0.244 nan 8.190 nan 0.000 0.456 345 I N 1.310 121.897 120.570 0.028 0.000 2.423 345 I HA -0.182 3.982 4.170 -0.010 0.000 0.254 345 I C 1.982 178.133 176.117 0.056 0.000 1.151 345 I CA 1.798 63.119 61.300 0.035 0.000 1.421 345 I CB -0.267 37.748 38.000 0.026 0.000 1.079 345 I HN 0.468 nan 8.210 nan 0.000 0.431 346 S N -0.880 114.877 115.700 0.095 0.000 2.622 346 S HA 0.330 4.794 4.470 -0.010 0.000 0.236 346 S C 1.081 175.802 174.600 0.201 0.000 0.956 346 S CA -0.311 57.964 58.200 0.125 0.000 0.971 346 S CB -0.131 63.132 63.200 0.105 0.000 0.782 346 S HN 0.368 nan 8.310 nan 0.000 0.468 347 I N 1.128 121.782 120.570 0.141 0.000 3.739 347 I HA 0.077 4.241 4.170 -0.010 0.000 0.272 347 I C 1.340 177.486 176.117 0.048 0.000 1.167 347 I CA 0.419 61.775 61.300 0.094 0.000 1.386 347 I CB -0.103 37.901 38.000 0.007 0.000 1.490 347 I HN 0.337 nan 8.210 nan 0.000 0.452 348 T N -1.131 113.441 114.554 0.030 0.000 2.748 348 T HA 0.037 4.381 4.350 -0.010 0.000 0.304 348 T C 0.232 174.949 174.700 0.028 0.000 1.041 348 T CA -0.190 61.922 62.100 0.020 0.000 1.033 348 T CB 0.517 69.391 68.868 0.011 0.000 0.995 348 T HN 0.054 nan 8.240 nan 0.000 0.536 349 D N 0.715 121.128 120.400 0.023 0.000 2.722 349 D HA 0.435 5.069 4.640 -0.010 0.000 0.239 349 D C 0.846 177.159 176.300 0.022 0.000 1.249 349 D CA 0.228 54.242 54.000 0.023 0.000 0.830 349 D CB -0.217 40.595 40.800 0.019 0.000 1.025 349 D HN 1.018 nan 8.370 nan 0.000 0.486 350 G N 0.787 109.602 108.800 0.025 0.000 2.340 350 G HA2 0.130 4.084 3.960 -0.010 0.000 0.527 350 G HA3 0.130 4.084 3.960 -0.010 0.000 0.527 350 G C -1.750 173.171 174.900 0.034 0.000 1.381 350 G CA -1.070 44.046 45.100 0.028 0.000 1.001 350 G HN 0.048 nan 8.290 nan 0.000 0.626 351 Q N -0.729 119.099 119.800 0.047 0.000 2.305 351 Q HA 0.700 5.035 4.340 -0.010 0.000 0.271 351 Q C -0.372 175.682 176.000 0.090 0.000 1.046 351 Q CA -0.559 55.286 55.803 0.070 0.000 0.798 351 Q CB 2.484 31.276 28.738 0.089 0.000 1.286 351 Q HN 0.640 nan 8.270 nan 0.000 0.435 352 I N 2.714 123.336 120.570 0.086 0.000 2.287 352 I HA 0.274 4.438 4.170 -0.010 0.000 0.290 352 I C -0.847 175.346 176.117 0.126 0.000 1.069 352 I CA -0.551 60.803 61.300 0.091 0.000 1.237 352 I CB 0.237 38.266 38.000 0.048 0.000 1.418 352 I HN 0.525 nan 8.210 nan 0.000 0.481 353 F N 8.127 128.085 119.950 0.014 0.000 2.411 353 F HA 0.525 5.046 4.527 -0.010 0.000 0.355 353 F C -0.625 175.187 175.800 0.020 0.000 1.117 353 F CA -0.500 57.508 58.000 0.012 0.000 1.139 353 F CB 0.564 39.572 39.000 0.013 0.000 1.120 353 F HN 0.188 nan 8.300 nan 0.000 0.493 354 L N 5.785 126.641 121.223 -0.612 0.000 2.317 354 L HA 0.487 4.821 4.340 -0.010 0.000 0.281 354 L C -0.378 176.111 176.870 -0.635 0.000 1.024 354 L CA -0.715 53.870 54.840 -0.426 0.000 0.810 354 L CB 1.680 43.593 42.059 -0.244 0.000 1.240 354 L HN 0.558 nan 8.230 nan 0.000 0.427 355 E N 1.171 121.201 120.200 -0.284 0.000 2.176 355 E HA 0.381 4.725 4.350 -0.010 0.000 0.267 355 E C 0.346 176.943 176.600 -0.006 0.000 0.893 355 E CA -0.344 55.957 56.400 -0.166 0.000 0.761 355 E CB 2.132 31.860 29.700 0.045 0.000 1.133 355 E HN 0.755 nan 8.360 nan 0.000 0.409 356 A N 3.955 126.767 122.820 -0.014 0.000 1.948 356 A HA -0.254 4.060 4.320 -0.010 0.000 0.220 356 A C 1.855 179.543 177.584 0.172 0.000 1.177 356 A CA 2.061 54.136 52.037 0.064 0.000 0.636 356 A CB -0.329 18.686 19.000 0.024 0.000 0.815 356 A HN 0.708 nan 8.150 nan 0.000 0.449 357 E N 0.016 120.302 120.200 0.143 0.000 2.110 357 E HA -0.105 4.239 4.350 -0.010 0.000 0.193 357 E C 1.824 178.548 176.600 0.206 0.000 0.988 357 E CA 1.206 57.712 56.400 0.176 0.000 0.804 357 E CB -0.308 29.465 29.700 0.121 0.000 0.745 357 E HN 0.639 nan 8.360 nan 0.000 0.458 358 L N -0.810 120.510 121.223 0.163 0.000 2.049 358 L HA -0.031 4.303 4.340 -0.010 0.000 0.203 358 L C 2.260 179.208 176.870 0.131 0.000 1.074 358 L CA 0.994 55.910 54.840 0.126 0.000 0.749 358 L CB -0.553 41.569 42.059 0.105 0.000 0.907 358 L HN 0.160 nan 8.230 nan 0.000 0.439 359 F N 0.195 120.164 119.950 0.032 0.000 2.154 359 F HA -0.350 4.170 4.527 -0.010 0.000 0.301 359 F C 2.654 178.485 175.800 0.052 0.000 1.087 359 F CA 1.744 59.758 58.000 0.023 0.000 1.274 359 F CB -0.365 38.642 39.000 0.011 0.000 1.009 359 F HN 0.078 nan 8.300 nan 0.000 0.485 360 Y N 1.130 121.530 120.300 0.165 0.000 2.207 360 Y HA -0.242 4.302 4.550 -0.011 0.000 0.287 360 Y C 2.107 177.994 175.900 -0.022 0.000 1.156 360 Y CA 2.134 60.279 58.100 0.074 0.000 1.182 360 Y CB -0.631 37.878 38.460 0.082 0.000 0.979 360 Y HN 0.040 nan 8.280 nan 0.000 0.521 361 K N -1.241 118.972 120.400 -0.311 0.000 2.186 361 K HA 0.200 4.514 4.320 -0.010 0.000 0.202 361 K C 1.544 177.967 176.600 -0.295 0.000 1.052 361 K CA 0.947 56.986 56.287 -0.412 0.000 0.965 361 K CB 0.026 32.419 32.500 -0.179 0.000 0.746 361 K HN 0.532 nan 8.250 nan 0.000 0.457 362 G N 0.659 109.311 108.800 -0.247 0.000 2.813 362 G HA2 -0.147 3.807 3.960 -0.010 0.000 0.194 362 G HA3 -0.147 3.807 3.960 -0.010 0.000 0.194 362 G C 0.090 174.889 174.900 -0.169 0.000 1.010 362 G CA -0.566 44.395 45.100 -0.232 0.000 0.771 362 G HN 0.092 nan 8.290 nan 0.000 0.485 363 I N 3.007 123.517 120.570 -0.099 0.000 2.755 363 I HA 0.224 4.388 4.170 -0.010 0.000 0.303 363 I C 0.643 176.743 176.117 -0.028 0.000 1.168 363 I CA 0.702 61.980 61.300 -0.037 0.000 1.588 363 I CB -0.277 37.730 38.000 0.011 0.000 1.509 363 I HN 0.070 nan 8.210 nan 0.000 0.734 364 R N 6.034 126.502 120.500 -0.053 0.000 2.532 364 R HA 0.444 4.778 4.340 -0.010 0.000 0.297 364 R C -2.640 173.659 176.300 -0.002 0.000 0.984 364 R CA -1.990 54.095 56.100 -0.024 0.000 0.884 364 R CB 1.311 31.527 30.300 -0.140 0.000 1.182 364 R HN 0.094 nan 8.270 nan 0.000 0.442 365 P HA -0.073 nan 4.420 nan 0.000 0.264 365 P C -0.248 177.096 177.300 0.073 0.000 1.183 365 P CA 0.237 63.373 63.100 0.059 0.000 0.763 365 P CB 0.696 32.420 31.700 0.039 0.000 0.807 366 A N 4.360 127.249 122.820 0.115 0.000 2.840 366 A HA 0.153 4.467 4.320 -0.010 0.000 0.269 366 A C 0.595 178.212 177.584 0.055 0.000 1.439 366 A CA -0.303 51.797 52.037 0.105 0.000 1.083 366 A CB -1.279 17.832 19.000 0.185 0.000 1.019 366 A HN 0.526 nan 8.150 nan 0.000 0.607 367 I N 1.810 122.414 120.570 0.056 0.000 2.573 367 I HA -0.069 4.095 4.170 -0.010 0.000 0.295 367 I C 0.692 176.864 176.117 0.092 0.000 1.141 367 I CA -0.167 61.170 61.300 0.062 0.000 1.364 367 I CB -0.121 37.917 38.000 0.062 0.000 1.447 367 I HN 0.375 nan 8.210 nan 0.000 0.571 368 N N 6.454 125.230 118.700 0.127 0.000 2.412 368 N HA -0.028 4.706 4.740 -0.010 0.000 0.279 368 N C 0.925 176.524 175.510 0.148 0.000 1.287 368 N CA 0.136 53.288 53.050 0.170 0.000 0.948 368 N CB 1.071 39.746 38.487 0.314 0.000 1.255 368 N HN 0.371 nan 8.380 nan 0.000 0.485 369 V N 4.603 124.578 119.914 0.101 0.000 2.237 369 V HA -0.186 3.928 4.120 -0.010 0.000 0.245 369 V C 2.493 178.628 176.094 0.067 0.000 1.046 369 V CA 2.198 64.547 62.300 0.082 0.000 1.007 369 V CB -1.215 30.651 31.823 0.071 0.000 0.638 369 V HN 0.777 nan 8.190 nan 0.000 0.445 370 G N 0.333 109.162 108.800 0.049 0.000 2.649 370 G HA2 -0.290 3.664 3.960 -0.010 0.000 0.220 370 G HA3 -0.290 3.664 3.960 -0.010 0.000 0.220 370 G C 1.184 176.097 174.900 0.022 0.000 1.189 370 G CA 1.408 46.524 45.100 0.026 0.000 0.777 370 G HN 0.467 nan 8.290 nan 0.000 0.602 371 L N 1.263 122.505 121.223 0.032 0.000 2.672 371 L HA 0.352 4.686 4.340 -0.010 0.000 0.236 371 L C 0.459 177.353 176.870 0.041 0.000 1.186 371 L CA 0.255 55.084 54.840 -0.018 0.000 0.977 371 L CB 0.361 42.334 42.059 -0.143 0.000 1.203 371 L HN -0.008 nan 8.230 nan 0.000 0.448 372 S N -1.296 114.448 115.700 0.074 0.000 2.513 372 S HA 0.819 5.283 4.470 -0.010 0.000 0.299 372 S C -0.648 173.986 174.600 0.057 0.000 1.087 372 S CA -0.587 57.666 58.200 0.089 0.000 1.012 372 S CB 2.803 66.071 63.200 0.114 0.000 1.044 372 S HN -0.183 nan 8.310 nan 0.000 0.485 373 V N 1.676 121.620 119.914 0.051 0.000 2.969 373 V HA 0.608 4.722 4.120 -0.010 0.000 0.304 373 V C -0.667 175.448 176.094 0.035 0.000 1.192 373 V CA -0.631 61.691 62.300 0.037 0.000 0.962 373 V CB 2.429 34.268 31.823 0.027 0.000 1.045 373 V HN 0.808 nan 8.190 nan 0.000 0.428 374 S N 3.318 119.036 115.700 0.030 0.000 2.472 374 S HA 0.571 5.035 4.470 -0.010 0.000 0.303 374 S C 0.566 175.178 174.600 0.021 0.000 1.099 374 S CA -0.572 57.642 58.200 0.024 0.000 1.077 374 S CB 1.468 64.680 63.200 0.020 0.000 1.031 374 S HN 0.702 nan 8.310 nan 0.000 0.487 375 R N 2.256 122.768 120.500 0.019 0.000 2.237 375 R HA 0.153 4.487 4.340 -0.010 0.000 0.195 375 R C 1.252 177.562 176.300 0.018 0.000 0.956 375 R CA 0.975 57.086 56.100 0.019 0.000 1.029 375 R CB 0.207 30.520 30.300 0.021 0.000 0.972 375 R HN 0.629 nan 8.270 nan 0.000 0.493 376 V N -5.096 114.827 119.914 0.015 0.000 3.497 376 V HA 0.354 4.468 4.120 -0.010 0.000 0.272 376 V C 1.609 177.710 176.094 0.012 0.000 1.474 376 V CA 0.541 62.850 62.300 0.015 0.000 1.025 376 V CB 0.460 32.292 31.823 0.015 0.000 0.820 376 V HN 0.141 nan 8.190 nan 0.000 0.437 377 G N 1.212 110.016 108.800 0.007 0.000 2.708 377 G HA2 -0.087 3.867 3.960 -0.010 0.000 0.210 377 G HA3 -0.087 3.867 3.960 -0.010 0.000 0.210 377 G C 1.316 176.218 174.900 0.005 0.000 1.141 377 G CA 1.101 46.200 45.100 -0.001 0.000 0.788 377 G HN 0.533 nan 8.290 nan 0.000 0.531 378 S N 1.534 117.242 115.700 0.013 0.000 2.351 378 S HA -0.160 4.304 4.470 -0.010 0.000 0.220 378 S C 2.799 177.409 174.600 0.018 0.000 1.035 378 S CA 1.275 59.486 58.200 0.017 0.000 1.031 378 S CB -0.596 62.615 63.200 0.020 0.000 0.928 378 S HN 0.576 nan 8.310 nan 0.000 0.433 379 A N 1.220 124.053 122.820 0.022 0.000 2.076 379 A HA 0.108 4.422 4.320 -0.010 0.000 0.220 379 A C 2.093 179.694 177.584 0.028 0.000 1.160 379 A CA 1.625 53.681 52.037 0.033 0.000 0.653 379 A CB -0.775 18.255 19.000 0.049 0.000 0.801 379 A HN 0.565 nan 8.150 nan 0.000 0.455 380 A N -1.426 121.396 122.820 0.005 0.000 2.251 380 A HA 0.204 4.518 4.320 -0.010 0.000 0.209 380 A C 1.041 178.603 177.584 -0.037 0.000 1.187 380 A CA 0.022 52.039 52.037 -0.034 0.000 0.823 380 A CB -0.211 18.752 19.000 -0.063 0.000 0.846 380 A HN 0.598 nan 8.150 nan 0.000 0.486 381 Q N 0.699 120.493 119.800 -0.011 0.000 2.296 381 Q HA 0.363 4.697 4.340 -0.010 0.000 0.262 381 Q C -0.683 175.316 176.000 -0.001 0.000 0.981 381 Q CA -0.355 55.446 55.803 -0.004 0.000 0.905 381 Q CB 0.931 29.677 28.738 0.012 0.000 1.186 381 Q HN 0.205 nan 8.270 nan 0.000 0.399 382 V N 5.547 125.459 119.914 -0.003 0.000 2.584 382 V HA -0.160 3.955 4.120 -0.010 0.000 0.303 382 V C 1.599 177.704 176.094 0.019 0.000 1.035 382 V CA 0.766 63.070 62.300 0.007 0.000 1.172 382 V CB 0.571 32.404 31.823 0.017 0.000 0.896 382 V HN 0.902 nan 8.190 nan 0.000 0.486 383 K N 4.524 124.935 120.400 0.019 0.000 2.074 383 K HA -0.246 4.068 4.320 -0.010 0.000 0.209 383 K C 2.033 178.651 176.600 0.030 0.000 1.048 383 K CA 1.855 58.157 56.287 0.024 0.000 0.926 383 K CB -0.142 32.371 32.500 0.021 0.000 0.713 383 K HN 0.852 nan 8.250 nan 0.000 0.444 384 A N 1.024 123.862 122.820 0.030 0.000 1.972 384 A HA -0.120 4.195 4.320 -0.010 0.000 0.219 384 A C 2.078 179.691 177.584 0.048 0.000 1.169 384 A CA 1.136 53.194 52.037 0.035 0.000 0.635 384 A CB -0.405 18.611 19.000 0.027 0.000 0.810 384 A HN 0.307 nan 8.150 nan 0.000 0.446 385 L N -0.976 120.275 121.223 0.047 0.000 2.005 385 L HA -0.162 4.172 4.340 -0.010 0.000 0.207 385 L C 2.592 179.495 176.870 0.055 0.000 1.072 385 L CA 1.872 56.745 54.840 0.054 0.000 0.744 385 L CB -0.403 41.685 42.059 0.048 0.000 0.895 385 L HN 0.387 nan 8.230 nan 0.000 0.433 386 K N -0.349 120.078 120.400 0.045 0.000 2.173 386 K HA -0.262 4.052 4.320 -0.010 0.000 0.207 386 K C 2.112 178.741 176.600 0.049 0.000 1.046 386 K CA 1.573 57.886 56.287 0.044 0.000 0.929 386 K CB 0.063 32.584 32.500 0.035 0.000 0.720 386 K HN 0.366 nan 8.250 nan 0.000 0.453 387 Q N -0.530 119.302 119.800 0.053 0.000 2.033 387 Q HA -0.092 4.242 4.340 -0.010 0.000 0.196 387 Q C 2.072 178.121 176.000 0.081 0.000 0.970 387 Q CA 1.579 57.418 55.803 0.061 0.000 0.828 387 Q CB 0.204 28.976 28.738 0.057 0.000 0.895 387 Q HN 0.352 nan 8.270 nan 0.000 0.440 388 V N -2.717 117.257 119.914 0.100 0.000 3.129 388 V HA 0.193 4.307 4.120 -0.010 0.000 0.259 388 V C 1.446 177.591 176.094 0.084 0.000 1.116 388 V CA 1.173 63.549 62.300 0.127 0.000 1.127 388 V CB -0.296 31.639 31.823 0.186 0.000 0.742 388 V HN 0.194 nan 8.190 nan 0.000 0.474 389 A N 1.024 123.888 122.820 0.073 0.000 2.507 389 A HA 0.609 4.923 4.320 -0.010 0.000 0.270 389 A C 1.313 178.933 177.584 0.060 0.000 1.318 389 A CA 0.342 52.419 52.037 0.066 0.000 0.924 389 A CB -1.046 17.995 19.000 0.068 0.000 1.061 389 A HN 0.716 nan 8.150 nan 0.000 0.516 390 G N -0.477 108.354 108.800 0.052 0.000 2.255 390 G HA2 0.364 4.318 3.960 -0.010 0.000 0.267 390 G HA3 0.364 4.318 3.960 -0.010 0.000 0.267 390 G C 0.747 175.675 174.900 0.047 0.000 1.177 390 G CA 0.640 45.767 45.100 0.045 0.000 1.027 390 G HN 0.747 nan 8.290 nan 0.000 0.437 391 S N 0.755 116.491 115.700 0.060 0.000 3.225 391 S HA -0.257 4.207 4.470 -0.010 0.000 0.308 391 S C 1.733 176.410 174.600 0.129 0.000 1.270 391 S CA 0.925 59.174 58.200 0.082 0.000 1.011 391 S CB -1.206 62.038 63.200 0.072 0.000 1.138 391 S HN 0.840 nan 8.310 nan 0.000 0.661 392 L N 1.589 122.883 121.223 0.118 0.000 2.127 392 L HA -0.104 4.230 4.340 -0.010 0.000 0.211 392 L C 2.087 179.071 176.870 0.189 0.000 1.089 392 L CA 2.738 57.683 54.840 0.175 0.000 0.757 392 L CB -0.401 41.731 42.059 0.122 0.000 0.899 392 L HN 0.335 nan 8.230 nan 0.000 0.434 393 K N -0.184 120.292 120.400 0.126 0.000 2.020 393 K HA -0.180 4.134 4.320 -0.010 0.000 0.212 393 K C 1.861 178.521 176.600 0.099 0.000 1.050 393 K CA 2.246 58.593 56.287 0.100 0.000 0.929 393 K CB -0.494 32.051 32.500 0.075 0.000 0.714 393 K HN 0.448 nan 8.250 nan 0.000 0.443 394 L N -0.200 121.088 121.223 0.109 0.000 2.509 394 L HA 0.093 4.427 4.340 -0.010 0.000 0.222 394 L C 1.855 178.800 176.870 0.126 0.000 1.123 394 L CA -0.059 54.837 54.840 0.093 0.000 0.856 394 L CB -0.182 41.923 42.059 0.078 0.000 0.985 394 L HN 0.199 nan 8.230 nan 0.000 0.456 395 F N 0.624 120.603 119.950 0.047 0.000 2.128 395 F HA -0.133 4.386 4.527 -0.014 0.000 0.295 395 F C 1.991 177.850 175.800 0.098 0.000 1.100 395 F CA 1.456 59.491 58.000 0.058 0.000 1.260 395 F CB -0.147 38.876 39.000 0.039 0.000 1.009 395 F HN -0.143 nan 8.300 nan 0.000 0.476 396 L N 0.418 121.560 121.223 -0.135 0.000 2.083 396 L HA -0.156 4.178 4.340 -0.010 0.000 0.209 396 L C 2.686 179.489 176.870 -0.112 0.000 1.083 396 L CA 1.133 55.873 54.840 -0.167 0.000 0.752 396 L CB -1.075 41.024 42.059 0.066 0.000 0.899 396 L HN 0.293 nan 8.230 nan 0.000 0.433 397 A N -1.127 121.659 122.820 -0.057 0.000 2.216 397 A HA -0.163 4.151 4.320 -0.010 0.000 0.214 397 A C 2.031 179.566 177.584 -0.081 0.000 1.160 397 A CA 1.199 53.210 52.037 -0.044 0.000 0.725 397 A CB -0.194 18.804 19.000 -0.004 0.000 0.784 397 A HN 0.541 nan 8.150 nan 0.000 0.472 398 Q N -2.981 116.732 119.800 -0.145 0.000 2.245 398 Q HA 0.095 4.429 4.340 -0.010 0.000 0.236 398 Q C 1.357 177.236 176.000 -0.201 0.000 0.842 398 Q CA 0.030 55.753 55.803 -0.133 0.000 0.945 398 Q CB 0.190 28.897 28.738 -0.053 0.000 1.122 398 Q HN 0.807 nan 8.270 nan 0.000 0.506 399 Y N 1.221 121.203 120.300 -0.529 0.000 2.314 399 Y HA -0.013 4.530 4.550 -0.012 0.000 0.293 399 Y C 1.795 177.582 175.900 -0.188 0.000 1.129 399 Y CA 1.257 59.091 58.100 -0.444 0.000 1.201 399 Y CB 0.089 38.162 38.460 -0.644 0.000 0.999 399 Y HN -0.143 nan 8.280 nan 0.000 0.541 400 R N 0.385 120.618 120.500 -0.446 0.000 2.200 400 R HA -0.145 4.189 4.340 -0.010 0.000 0.234 400 R C 1.816 178.001 176.300 -0.191 0.000 1.127 400 R CA 1.272 57.149 56.100 -0.371 0.000 0.989 400 R CB -0.020 30.167 30.300 -0.189 0.000 0.869 400 R HN 0.457 nan 8.270 nan 0.000 0.459 401 E N 0.002 120.135 120.200 -0.113 0.000 2.006 401 E HA -0.122 4.222 4.350 -0.010 0.000 0.192 401 E C 2.152 178.806 176.600 0.088 0.000 0.993 401 E CA 1.202 57.609 56.400 0.013 0.000 0.808 401 E CB -0.441 29.249 29.700 -0.016 0.000 0.764 401 E HN 0.094 nan 8.360 nan 0.000 0.449 402 V N 1.800 121.726 119.914 0.020 0.000 2.358 402 V HA -0.163 3.951 4.120 -0.010 0.000 0.246 402 V C 2.433 178.552 176.094 0.041 0.000 1.047 402 V CA 1.695 64.037 62.300 0.070 0.000 1.035 402 V CB -1.065 30.805 31.823 0.078 0.000 0.658 402 V HN 0.227 nan 8.190 nan 0.000 0.452 403 A N -0.002 122.747 122.820 -0.118 0.000 2.070 403 A HA 0.037 4.351 4.320 -0.010 0.000 0.220 403 A C 2.189 179.695 177.584 -0.130 0.000 1.159 403 A CA 1.828 53.757 52.037 -0.181 0.000 0.656 403 A CB -0.450 18.225 19.000 -0.542 0.000 0.800 403 A HN 0.618 nan 8.150 nan 0.000 0.453 404 A N -2.742 120.016 122.820 -0.103 0.000 2.267 404 A HA 0.504 4.819 4.320 -0.010 0.000 0.213 404 A C 1.075 178.442 177.584 -0.361 0.000 1.192 404 A CA 0.239 52.156 52.037 -0.200 0.000 0.851 404 A CB -0.104 18.773 19.000 -0.205 0.000 0.881 404 A HN 0.411 nan 8.150 nan 0.000 0.494 405 F N -1.832 118.086 119.950 -0.054 0.000 2.746 405 F HA 0.383 4.912 4.527 0.003 0.000 0.320 405 F C 1.865 177.653 175.800 -0.020 0.000 1.097 405 F CA 0.453 58.434 58.000 -0.032 0.000 1.195 405 F CB 0.715 39.698 39.000 -0.029 0.000 1.056 405 F HN 0.196 nan 8.300 nan 0.000 0.562 406 A N -1.066 121.811 122.820 0.096 0.000 2.220 406 A HA 0.207 4.522 4.320 -0.010 0.000 0.211 406 A C 1.308 178.908 177.584 0.026 0.000 1.176 406 A CA 0.265 52.340 52.037 0.065 0.000 0.834 406 A CB 0.061 19.098 19.000 0.062 0.000 0.868 406 A HN 0.063 nan 8.150 nan 0.000 0.488 411 D N -0.508 119.917 120.400 0.041 0.000 2.706 411 D HA 0.568 5.202 4.640 -0.010 0.000 0.225 411 D C -1.539 174.780 176.300 0.032 0.000 1.241 411 D CA -0.287 53.734 54.000 0.034 0.000 0.784 411 D CB 1.318 42.139 40.800 0.036 0.000 1.521 411 D HN 0.121 nan 8.370 nan 0.000 0.461 412 L N 2.576 123.814 121.223 0.025 0.000 2.494 412 L HA 0.372 4.706 4.340 -0.010 0.000 0.251 412 L C -0.544 176.339 176.870 0.021 0.000 1.119 412 L CA -0.487 54.367 54.840 0.023 0.000 1.026 412 L CB 0.574 42.643 42.059 0.017 0.000 1.370 412 L HN 0.311 nan 8.230 nan 0.000 0.426 413 D N 1.119 121.535 120.400 0.026 0.000 2.232 413 D HA 0.315 4.949 4.640 -0.010 0.000 0.242 413 D C 0.790 177.103 176.300 0.022 0.000 1.093 413 D CA -0.096 53.917 54.000 0.023 0.000 0.845 413 D CB 2.305 43.120 40.800 0.026 0.000 1.124 413 D HN 0.415 nan 8.370 nan 0.000 0.467 414 A N 3.189 126.018 122.820 0.014 0.000 1.933 414 A HA -0.152 4.162 4.320 -0.010 0.000 0.218 414 A C 2.141 179.732 177.584 0.012 0.000 1.175 414 A CA 1.798 53.841 52.037 0.010 0.000 0.628 414 A CB -0.408 18.594 19.000 0.004 0.000 0.814 414 A HN 0.567 nan 8.150 nan 0.000 0.444 415 S N 0.025 115.733 115.700 0.014 0.000 2.351 415 S HA -0.128 4.336 4.470 -0.010 0.000 0.220 415 S C 1.368 175.986 174.600 0.030 0.000 1.035 415 S CA 1.976 60.186 58.200 0.016 0.000 1.031 415 S CB -0.732 62.477 63.200 0.015 0.000 0.928 415 S HN 0.739 nan 8.310 nan 0.000 0.433 416 T N -0.202 114.376 114.554 0.039 0.000 3.766 416 T HA 0.545 4.889 4.350 -0.010 0.000 0.327 416 T C 0.144 174.881 174.700 0.063 0.000 1.595 416 T CA -0.542 61.594 62.100 0.060 0.000 1.204 416 T CB 0.638 69.544 68.868 0.063 0.000 1.245 416 T HN 0.351 nan 8.240 nan 0.000 0.875 417 K N 0.294 120.727 120.400 0.055 0.000 2.611 417 K HA 0.158 4.472 4.320 -0.010 0.000 0.209 417 K C 1.866 178.489 176.600 0.038 0.000 1.658 417 K CA -0.079 56.238 56.287 0.049 0.000 1.080 417 K CB 0.480 32.998 32.500 0.029 0.000 1.430 417 K HN 0.353 nan 8.250 nan 0.000 0.596 418 Q N 0.766 120.583 119.800 0.029 0.000 2.137 418 Q HA -0.103 4.231 4.340 -0.010 0.000 0.198 418 Q C 1.800 177.820 176.000 0.034 0.000 0.960 418 Q CA 2.074 57.880 55.803 0.005 0.000 0.847 418 Q CB 0.218 28.945 28.738 -0.017 0.000 0.915 418 Q HN 0.340 nan 8.270 nan 0.000 0.448 419 T N -1.077 113.540 114.554 0.105 0.000 2.708 419 T HA -0.131 4.213 4.350 -0.010 0.000 0.266 419 T C 1.744 176.572 174.700 0.213 0.000 1.037 419 T CA 1.070 63.316 62.100 0.244 0.000 1.146 419 T CB -0.473 68.576 68.868 0.301 0.000 0.865 419 T HN 0.298 nan 8.240 nan 0.000 0.435 420 L N 0.573 121.905 121.223 0.181 0.000 2.456 420 L HA 0.082 4.416 4.340 -0.010 0.000 0.224 420 L C 2.265 179.149 176.870 0.024 0.000 1.148 420 L CA 0.367 55.322 54.840 0.192 0.000 0.825 420 L CB -0.148 42.028 42.059 0.194 0.000 0.937 420 L HN 0.252 nan 8.230 nan 0.000 0.450 421 V N -1.801 118.105 119.914 -0.013 0.000 3.635 421 V HA 0.064 4.178 4.120 -0.010 0.000 0.266 421 V C 2.249 178.283 176.094 -0.101 0.000 1.316 421 V CA 0.238 62.503 62.300 -0.059 0.000 1.060 421 V CB 0.114 31.914 31.823 -0.039 0.000 0.820 421 V HN 0.272 nan 8.190 nan 0.000 0.447 422 R N 1.048 121.501 120.500 -0.079 0.000 2.057 422 R HA 0.011 4.345 4.340 -0.010 0.000 0.229 422 R C 2.408 178.641 176.300 -0.112 0.000 1.136 422 R CA 1.560 57.604 56.100 -0.093 0.000 0.952 422 R CB -1.261 28.970 30.300 -0.114 0.000 0.848 422 R HN 0.485 nan 8.270 nan 0.000 0.430 423 G N 1.061 109.723 108.800 -0.231 0.000 2.491 423 G HA2 -0.319 3.635 3.960 -0.010 0.000 0.218 423 G HA3 -0.319 3.635 3.960 -0.010 0.000 0.218 423 G C 1.454 175.854 174.900 -0.833 0.000 1.180 423 G CA 0.918 45.427 45.100 -0.985 0.000 0.774 423 G HN 0.394 nan 8.290 nan 0.000 0.562 424 E N -0.290 119.549 120.200 -0.601 0.000 2.077 424 E HA -0.139 4.205 4.350 -0.010 0.000 0.193 424 E C 2.856 179.377 176.600 -0.132 0.000 0.989 424 E CA 0.594 56.866 56.400 -0.213 0.000 0.800 424 E CB 0.058 29.717 29.700 -0.069 0.000 0.746 424 E HN 0.151 nan 8.360 nan 0.000 0.452 425 R N 0.171 120.587 120.500 -0.140 0.000 2.073 425 R HA -0.110 4.224 4.340 -0.010 0.000 0.234 425 R C 2.508 178.754 176.300 -0.090 0.000 1.134 425 R CA 0.836 56.869 56.100 -0.112 0.000 0.952 425 R CB -0.876 29.343 30.300 -0.135 0.000 0.850 425 R HN 0.288 nan 8.270 nan 0.000 0.433 426 L N 0.390 121.560 121.223 -0.088 0.000 2.083 426 L HA -0.138 4.196 4.340 -0.010 0.000 0.209 426 L C 2.336 179.204 176.870 -0.002 0.000 1.083 426 L CA 1.429 56.252 54.840 -0.028 0.000 0.752 426 L CB -0.688 41.388 42.059 0.029 0.000 0.899 426 L HN 0.181 nan 8.230 nan 0.000 0.433 427 T N -1.197 113.345 114.554 -0.021 0.000 2.759 427 T HA -0.201 4.143 4.350 -0.010 0.000 0.269 427 T C 1.888 176.600 174.700 0.021 0.000 1.042 427 T CA 1.107 63.225 62.100 0.031 0.000 1.140 427 T CB -0.100 68.813 68.868 0.074 0.000 0.864 427 T HN 0.314 nan 8.240 nan 0.000 0.455 428 Q N 0.094 119.893 119.800 -0.001 0.000 2.245 428 Q HA 0.142 4.476 4.340 -0.010 0.000 0.201 428 Q C 2.304 178.312 176.000 0.014 0.000 0.955 428 Q CA 0.519 56.322 55.803 0.001 0.000 0.870 428 Q CB -0.315 28.416 28.738 -0.011 0.000 0.945 428 Q HN 0.401 nan 8.270 nan 0.000 0.461 429 L N 0.158 121.387 121.223 0.010 0.000 2.156 429 L HA -0.064 4.270 4.340 -0.010 0.000 0.208 429 L C 1.755 178.657 176.870 0.052 0.000 1.095 429 L CA 1.353 56.212 54.840 0.032 0.000 0.770 429 L CB -0.110 41.958 42.059 0.015 0.000 0.914 429 L HN 0.097 nan 8.230 nan 0.000 0.439 430 L N -1.084 120.166 121.223 0.045 0.000 2.567 430 L HA 0.081 4.415 4.340 -0.010 0.000 0.225 430 L C 0.931 177.825 176.870 0.040 0.000 1.119 430 L CA -0.146 54.724 54.840 0.051 0.000 0.871 430 L CB -0.417 41.676 42.059 0.057 0.000 1.036 430 L HN 0.042 nan 8.230 nan 0.000 0.459 431 K N 1.681 122.099 120.400 0.030 0.000 2.485 431 K HA 0.090 4.404 4.320 -0.010 0.000 0.277 431 K C -0.146 176.466 176.600 0.019 0.000 0.990 431 K CA 0.613 56.909 56.287 0.015 0.000 0.994 431 K CB 0.595 33.097 32.500 0.003 0.000 0.906 431 K HN 0.049 nan 8.250 nan 0.000 0.488 432 Q N 2.079 121.881 119.800 0.004 0.000 2.309 432 Q HA 0.194 4.528 4.340 -0.010 0.000 0.273 432 Q C -1.398 174.594 176.000 -0.014 0.000 1.040 432 Q CA -0.797 55.010 55.803 0.006 0.000 0.834 432 Q CB 1.502 30.246 28.738 0.010 0.000 1.345 432 Q HN 0.494 nan 8.270 nan 0.000 0.414 433 N N 1.520 120.218 118.700 -0.004 0.000 2.444 433 N HA 0.077 4.812 4.740 -0.010 0.000 0.255 433 N C -0.866 174.616 175.510 -0.047 0.000 1.255 433 N CA -0.033 53.011 53.050 -0.011 0.000 0.933 433 N CB 0.611 39.113 38.487 0.025 0.000 1.143 433 N HN 0.451 nan 8.380 nan 0.000 0.453 434 Q N 0.342 120.082 119.800 -0.099 0.000 2.227 434 Q HA 0.146 4.480 4.340 -0.010 0.000 0.245 434 Q C -0.520 175.341 176.000 -0.233 0.000 0.926 434 Q CA -0.415 55.196 55.803 -0.319 0.000 0.895 434 Q CB 0.431 28.813 28.738 -0.593 0.000 1.230 434 Q HN 0.669 nan 8.270 nan 0.000 0.450 435 Y N -0.704 119.588 120.300 -0.014 0.000 4.409 435 Y HA -0.250 4.295 4.550 -0.009 0.000 0.228 435 Y C 0.048 175.968 175.900 0.034 0.000 1.108 435 Y CA 0.773 58.853 58.100 -0.034 0.000 1.955 435 Y CB -2.245 36.209 38.460 -0.010 0.000 1.615 435 Y HN 0.352 nan 8.280 nan 0.000 0.665 436 S N -0.116 115.637 115.700 0.088 0.000 2.384 436 S HA 0.339 4.803 4.470 -0.010 0.000 0.227 436 S C -2.334 172.293 174.600 0.045 0.000 1.257 436 S CA -0.904 57.343 58.200 0.078 0.000 1.249 436 S CB 0.539 63.777 63.200 0.063 0.000 1.018 436 S HN 0.070 nan 8.310 nan 0.000 0.478 437 P HA 0.311 nan 4.420 nan 0.000 0.271 437 P C -0.641 176.675 177.300 0.028 0.000 1.218 437 P CA -0.308 62.813 63.100 0.035 0.000 0.780 437 P CB 0.641 32.367 31.700 0.043 0.000 0.901 438 L N 1.167 122.407 121.223 0.029 0.000 2.342 438 L HA 0.673 5.007 4.340 -0.010 0.000 0.271 438 L C 0.684 177.565 176.870 0.018 0.000 1.008 438 L CA -1.259 53.590 54.840 0.015 0.000 0.818 438 L CB 1.656 43.728 42.059 0.022 0.000 1.296 438 L HN 0.368 nan 8.230 nan 0.000 0.427 439 A N 1.156 123.968 122.820 -0.013 0.000 2.386 439 A HA 0.227 4.541 4.320 -0.010 0.000 0.246 439 A C 1.226 178.831 177.584 0.035 0.000 1.089 439 A CA 0.103 52.137 52.037 -0.006 0.000 0.790 439 A CB 0.197 19.161 19.000 -0.061 0.000 1.042 439 A HN 0.870 nan 8.150 nan 0.000 0.497 440 T N 0.812 115.410 114.554 0.073 0.000 2.665 440 T HA -0.168 4.176 4.350 -0.010 0.000 0.268 440 T C 1.796 176.516 174.700 0.033 0.000 1.035 440 T CA 1.939 64.080 62.100 0.068 0.000 1.151 440 T CB -0.322 68.600 68.868 0.091 0.000 0.862 440 T HN 0.862 nan 8.240 nan 0.000 0.438 441 E N 1.724 121.931 120.200 0.011 0.000 2.160 441 E HA -0.211 4.133 4.350 -0.010 0.000 0.195 441 E C 1.728 178.305 176.600 -0.039 0.000 0.991 441 E CA 1.287 57.676 56.400 -0.019 0.000 0.810 441 E CB -0.434 29.244 29.700 -0.037 0.000 0.742 441 E HN 0.592 nan 8.360 nan 0.000 0.466 442 E N 0.505 120.684 120.200 -0.036 0.000 2.285 442 E HA -0.082 4.262 4.350 -0.010 0.000 0.194 442 E C 2.156 178.753 176.600 -0.005 0.000 0.997 442 E CA 0.583 56.954 56.400 -0.049 0.000 0.845 442 E CB 0.102 29.775 29.700 -0.045 0.000 0.782 442 E HN 0.395 nan 8.360 nan 0.000 0.491 443 Q N -0.016 119.798 119.800 0.024 0.000 2.134 443 Q HA -0.079 4.255 4.340 -0.010 0.000 0.195 443 Q C 2.596 178.645 176.000 0.081 0.000 0.958 443 Q CA 1.220 57.058 55.803 0.059 0.000 0.840 443 Q CB 0.010 28.784 28.738 0.060 0.000 0.918 443 Q HN 0.278 nan 8.270 nan 0.000 0.467 444 V N -0.175 119.778 119.914 0.065 0.000 2.380 444 V HA -0.150 3.965 4.120 -0.010 0.000 0.251 444 V C -1.029 175.147 176.094 0.138 0.000 1.063 444 V CA 1.530 63.882 62.300 0.087 0.000 1.055 444 V CB -1.824 30.032 31.823 0.054 0.000 0.657 444 V HN 0.193 nan 8.190 nan 0.000 0.455 445 P HA 0.061 nan 4.420 nan 0.000 0.222 445 P C 2.069 179.610 177.300 0.402 0.000 1.153 445 P CA 1.052 64.284 63.100 0.220 0.000 0.798 445 P CB -0.091 31.647 31.700 0.063 0.000 0.796 446 L N -1.034 120.378 121.223 0.313 0.000 2.056 446 L HA -0.104 4.230 4.340 -0.010 0.000 0.207 446 L C 2.196 179.212 176.870 0.243 0.000 1.078 446 L CA 1.484 56.535 54.840 0.352 0.000 0.749 446 L CB -0.741 41.471 42.059 0.256 0.000 0.901 446 L HN -0.059 nan 8.230 nan 0.000 0.433 447 I N -2.011 118.675 120.570 0.194 0.000 2.876 447 I HA -0.238 3.926 4.170 -0.010 0.000 0.264 447 I C 2.365 178.572 176.117 0.151 0.000 1.204 447 I CA 0.636 62.020 61.300 0.139 0.000 1.485 447 I CB -0.263 37.806 38.000 0.115 0.000 1.103 447 I HN 0.134 nan 8.210 nan 0.000 0.446 448 Y N 2.052 122.413 120.300 0.102 0.000 2.163 448 Y HA -0.179 4.366 4.550 -0.008 0.000 0.288 448 Y C 2.600 178.577 175.900 0.128 0.000 1.136 448 Y CA 1.427 59.587 58.100 0.099 0.000 1.147 448 Y CB -0.195 38.319 38.460 0.091 0.000 0.987 448 Y HN 0.098 nan 8.280 nan 0.000 0.509 449 A N -0.171 122.778 122.820 0.215 0.000 2.070 449 A HA -0.059 4.255 4.320 -0.010 0.000 0.220 449 A C 2.306 179.881 177.584 -0.015 0.000 1.159 449 A CA 1.655 53.751 52.037 0.099 0.000 0.656 449 A CB -1.484 17.576 19.000 0.100 0.000 0.800 449 A HN 0.607 nan 8.150 nan 0.000 0.453 450 G N -0.815 107.966 108.800 -0.031 0.000 2.518 450 G HA2 0.040 3.995 3.960 -0.010 0.000 0.213 450 G HA3 0.040 3.995 3.960 -0.010 0.000 0.213 450 G C 1.457 176.273 174.900 -0.139 0.000 1.226 450 G CA 0.868 45.914 45.100 -0.090 0.000 0.822 450 G HN 0.217 nan 8.290 nan 0.000 0.546 451 V N 2.070 121.904 119.914 -0.134 0.000 2.324 451 V HA -0.230 3.884 4.120 -0.010 0.000 0.250 451 V C 2.233 178.167 176.094 -0.267 0.000 1.060 451 V CA 1.938 64.120 62.300 -0.197 0.000 1.042 451 V CB -0.469 31.272 31.823 -0.136 0.000 0.650 451 V HN 0.415 nan 8.190 nan 0.000 0.450 452 N N -0.237 118.274 118.700 -0.315 0.000 2.461 452 N HA 0.070 4.804 4.740 -0.010 0.000 0.188 452 N C 1.420 176.667 175.510 -0.437 0.000 1.134 452 N CA 0.914 53.737 53.050 -0.379 0.000 0.878 452 N CB 0.797 38.962 38.487 -0.536 0.000 0.972 452 N HN 0.640 nan 8.380 nan 0.000 0.456 453 G N 1.040 109.643 108.800 -0.327 0.000 2.141 453 G HA2 -0.245 3.709 3.960 -0.010 0.000 0.242 453 G HA3 -0.245 3.709 3.960 -0.010 0.000 0.242 453 G C 0.491 175.205 174.900 -0.311 0.000 0.982 453 G CA -0.148 44.766 45.100 -0.310 0.000 0.662 453 G HN 0.534 nan 8.290 nan 0.000 0.527 454 H N -0.143 118.808 119.070 -0.198 0.000 2.567 454 H HA 0.141 4.692 4.556 -0.009 0.000 0.276 454 H C 2.279 177.473 175.328 -0.223 0.000 1.016 454 H CA 1.217 57.165 56.048 -0.167 0.000 1.186 454 H CB 0.199 29.891 29.762 -0.118 0.000 1.351 454 H HN 0.501 nan 8.280 nan 0.000 0.605 455 L N -0.461 120.648 121.223 -0.189 0.000 2.664 455 L HA 0.046 4.380 4.340 -0.010 0.000 0.233 455 L C 1.419 178.182 176.870 -0.179 0.000 1.113 455 L CA -0.080 54.601 54.840 -0.265 0.000 0.896 455 L CB 0.226 42.080 42.059 -0.342 0.000 1.163 455 L HN -0.086 nan 8.230 nan 0.000 0.497 456 D N 1.353 121.662 120.400 -0.153 0.000 2.190 456 D HA -0.154 4.480 4.640 -0.010 0.000 0.200 456 D C 2.094 178.337 176.300 -0.094 0.000 0.992 456 D CA 1.599 55.526 54.000 -0.121 0.000 0.854 456 D CB -0.023 40.704 40.800 -0.122 0.000 0.936 456 D HN 0.348 nan 8.370 nan 0.000 0.462 457 G N -0.467 108.279 108.800 -0.091 0.000 2.662 457 G HA2 0.074 4.028 3.960 -0.010 0.000 0.212 457 G HA3 0.074 4.028 3.960 -0.010 0.000 0.212 457 G C 0.740 175.600 174.900 -0.065 0.000 1.141 457 G CA -0.298 44.760 45.100 -0.070 0.000 0.797 457 G HN 0.193 nan 8.290 nan 0.000 0.531 458 I N 1.759 122.281 120.570 -0.080 0.000 2.496 458 I HA 0.085 4.249 4.170 -0.010 0.000 0.285 458 I C 0.334 176.416 176.117 -0.058 0.000 1.080 458 I CA -0.380 60.880 61.300 -0.066 0.000 1.404 458 I CB 0.991 38.942 38.000 -0.081 0.000 1.403 458 I HN 0.166 nan 8.210 nan 0.000 0.539 459 E N 3.969 124.148 120.200 -0.035 0.000 2.459 459 E HA -0.125 4.219 4.350 -0.010 0.000 0.264 459 E C 0.690 177.275 176.600 -0.026 0.000 1.055 459 E CA -0.286 56.098 56.400 -0.026 0.000 0.957 459 E CB 0.647 30.339 29.700 -0.014 0.000 0.952 459 E HN 0.428 nan 8.360 nan 0.000 0.448 460 L N 2.491 123.701 121.223 -0.023 0.000 2.027 460 L HA -0.173 4.161 4.340 -0.010 0.000 0.206 460 L C 2.178 179.043 176.870 -0.007 0.000 1.074 460 L CA 2.098 56.925 54.840 -0.022 0.000 0.745 460 L CB -0.630 41.418 42.059 -0.018 0.000 0.898 460 L HN 0.632 nan 8.230 nan 0.000 0.433 461 S N -1.294 114.405 115.700 -0.002 0.000 2.595 461 S HA -0.075 4.389 4.470 -0.010 0.000 0.235 461 S C 1.665 176.278 174.600 0.022 0.000 0.974 461 S CA 0.472 58.676 58.200 0.006 0.000 0.942 461 S CB -0.450 62.751 63.200 0.002 0.000 0.766 461 S HN 0.465 nan 8.310 nan 0.000 0.536 462 R N -0.158 120.359 120.500 0.029 0.000 2.437 462 R HA 0.351 4.685 4.340 -0.010 0.000 0.257 462 R C 0.925 177.289 176.300 0.105 0.000 0.927 462 R CA -0.227 55.910 56.100 0.061 0.000 1.078 462 R CB 0.032 30.364 30.300 0.053 0.000 1.161 462 R HN 0.372 nan 8.270 nan 0.000 0.529 463 I N 0.493 121.103 120.570 0.067 0.000 2.286 463 I HA -0.123 4.041 4.170 -0.010 0.000 0.248 463 I C 2.286 178.497 176.117 0.157 0.000 1.115 463 I CA 1.615 62.960 61.300 0.075 0.000 1.392 463 I CB -1.300 36.698 38.000 -0.004 0.000 1.065 463 I HN 0.182 nan 8.210 nan 0.000 0.418 464 G N -0.058 108.810 108.800 0.115 0.000 2.443 464 G HA2 -0.224 3.730 3.960 -0.010 0.000 0.219 464 G HA3 -0.224 3.730 3.960 -0.010 0.000 0.219 464 G C 1.610 176.597 174.900 0.145 0.000 1.131 464 G CA 0.312 45.482 45.100 0.117 0.000 0.775 464 G HN 0.447 nan 8.290 nan 0.000 0.547 465 E N -0.495 119.796 120.200 0.152 0.000 2.299 465 E HA -0.030 4.314 4.350 -0.010 0.000 0.193 465 E C 1.878 178.616 176.600 0.231 0.000 0.998 465 E CA -0.026 56.466 56.400 0.154 0.000 0.851 465 E CB -0.106 29.664 29.700 0.117 0.000 0.795 465 E HN 0.408 nan 8.360 nan 0.000 0.492 466 F N 2.288 122.324 119.950 0.143 0.000 2.113 466 F HA -0.146 4.376 4.527 -0.008 0.000 0.297 466 F C 2.216 178.183 175.800 0.279 0.000 1.103 466 F CA 2.044 60.183 58.000 0.232 0.000 1.248 466 F CB -0.291 38.798 39.000 0.148 0.000 0.999 466 F HN 0.025 nan 8.300 nan 0.000 0.475 467 E N 0.364 120.855 120.200 0.485 0.000 2.021 467 E HA -0.274 4.070 4.350 -0.010 0.000 0.200 467 E C 2.203 178.890 176.600 0.144 0.000 1.015 467 E CA 2.494 59.104 56.400 0.351 0.000 0.824 467 E CB -0.411 29.449 29.700 0.268 0.000 0.762 467 E HN 0.511 nan 8.360 nan 0.000 0.454 468 S N 0.046 115.813 115.700 0.111 0.000 2.383 468 S HA -0.145 4.319 4.470 -0.010 0.000 0.229 468 S C 2.290 176.897 174.600 0.012 0.000 1.030 468 S CA 1.350 59.580 58.200 0.050 0.000 1.002 468 S CB -0.337 62.898 63.200 0.058 0.000 0.829 468 S HN 0.164 nan 8.310 nan 0.000 0.467 469 S N 1.013 116.735 115.700 0.037 0.000 2.368 469 S HA 0.095 4.559 4.470 -0.010 0.000 0.224 469 S C 1.407 175.849 174.600 -0.264 0.000 1.029 469 S CA 0.871 59.081 58.200 0.017 0.000 0.988 469 S CB -0.486 62.867 63.200 0.254 0.000 0.838 469 S HN 0.534 nan 8.310 nan 0.000 0.462 470 F N 2.371 121.919 119.950 -0.670 0.000 2.113 470 F HA 0.051 4.572 4.527 -0.009 0.000 0.297 470 F C 1.760 177.294 175.800 -0.443 0.000 1.103 470 F CA 1.028 58.426 58.000 -1.003 0.000 1.248 470 F CB -0.771 37.635 39.000 -0.989 0.000 0.999 470 F HN 0.097 nan 8.300 nan 0.000 0.475 471 L N -0.808 120.210 121.223 -0.342 0.000 2.131 471 L HA -0.217 4.117 4.340 -0.010 0.000 0.210 471 L C 2.522 179.241 176.870 -0.252 0.000 1.092 471 L CA 1.272 55.907 54.840 -0.343 0.000 0.759 471 L CB -0.758 41.195 42.059 -0.177 0.000 0.903 471 L HN 0.076 nan 8.230 nan 0.000 0.435 472 S N -1.179 114.418 115.700 -0.172 0.000 2.355 472 S HA -0.217 4.247 4.470 -0.010 0.000 0.222 472 S C 1.867 176.400 174.600 -0.111 0.000 1.031 472 S CA 1.045 59.178 58.200 -0.112 0.000 0.993 472 S CB -0.378 62.790 63.200 -0.052 0.000 0.859 472 S HN 0.429 nan 8.310 nan 0.000 0.453 473 Y N 2.224 122.365 120.300 -0.264 0.000 2.207 473 Y HA -0.142 4.402 4.550 -0.010 0.000 0.287 473 Y C 1.817 177.620 175.900 -0.162 0.000 1.156 473 Y CA 1.243 59.212 58.100 -0.220 0.000 1.182 473 Y CB -0.489 37.747 38.460 -0.373 0.000 0.979 473 Y HN 0.150 nan 8.280 nan 0.000 0.521 474 L N 0.051 121.052 121.223 -0.371 0.000 2.027 474 L HA -0.228 4.106 4.340 -0.010 0.000 0.206 474 L C 2.505 179.212 176.870 -0.272 0.000 1.074 474 L CA 1.787 56.397 54.840 -0.383 0.000 0.745 474 L CB -0.450 41.301 42.059 -0.513 0.000 0.898 474 L HN 0.084 nan 8.230 nan 0.000 0.433 475 K N -0.554 119.706 120.400 -0.234 0.000 2.155 475 K HA -0.097 4.217 4.320 -0.010 0.000 0.203 475 K C 2.268 178.770 176.600 -0.163 0.000 1.052 475 K CA 1.517 57.700 56.287 -0.173 0.000 0.948 475 K CB -0.027 32.389 32.500 -0.140 0.000 0.728 475 K HN 0.402 nan 8.250 nan 0.000 0.448 476 S N 0.510 116.102 115.700 -0.181 0.000 2.406 476 S HA -0.018 4.446 4.470 -0.010 0.000 0.224 476 S C 1.428 175.899 174.600 -0.215 0.000 1.030 476 S CA 0.932 59.037 58.200 -0.158 0.000 0.958 476 S CB -0.124 63.012 63.200 -0.106 0.000 0.811 476 S HN 0.243 nan 8.310 nan 0.000 0.489 477 N N 0.611 119.105 118.700 -0.344 0.000 2.622 477 N HA 0.139 4.873 4.740 -0.010 0.000 0.213 477 N C 0.267 175.485 175.510 -0.487 0.000 1.037 477 N CA 0.563 53.324 53.050 -0.482 0.000 0.999 477 N CB -0.162 37.857 38.487 -0.780 0.000 1.342 477 N HN 0.353 nan 8.380 nan 0.000 0.465 478 H N 0.643 119.528 119.070 -0.309 0.000 2.638 478 H HA 0.238 4.788 4.556 -0.009 0.000 0.232 478 H C 0.006 175.219 175.328 -0.193 0.000 1.756 478 H CA 0.034 55.945 56.048 -0.228 0.000 1.234 478 H CB -0.162 29.456 29.762 -0.240 0.000 1.616 478 H HN 0.237 nan 8.280 nan 0.000 0.510 479 N N 0.710 119.349 118.700 -0.102 0.000 2.463 479 N HA -0.065 4.669 4.740 -0.010 0.000 0.181 479 N C 1.566 177.036 175.510 -0.067 0.000 1.078 479 N CA 0.272 53.267 53.050 -0.092 0.000 0.902 479 N CB 0.475 38.901 38.487 -0.101 0.000 0.970 479 N HN 0.488 nan 8.380 nan 0.000 0.451 480 E N -0.108 120.059 120.200 -0.055 0.000 2.072 480 E HA -0.087 4.257 4.350 -0.010 0.000 0.190 480 E C 1.520 178.101 176.600 -0.032 0.000 0.982 480 E CA 0.801 57.177 56.400 -0.040 0.000 0.803 480 E CB 0.011 29.691 29.700 -0.033 0.000 0.755 480 E HN 0.430 nan 8.360 nan 0.000 0.453 481 L N 0.564 121.772 121.223 -0.025 0.000 2.109 481 L HA -0.107 4.227 4.340 -0.010 0.000 0.207 481 L C 2.466 179.303 176.870 -0.055 0.000 1.086 481 L CA 0.739 55.556 54.840 -0.039 0.000 0.760 481 L CB -0.528 41.501 42.059 -0.049 0.000 0.910 481 L HN 0.120 nan 8.230 nan 0.000 0.437 482 L N -0.295 120.889 121.223 -0.066 0.000 2.056 482 L HA -0.127 4.207 4.340 -0.010 0.000 0.207 482 L C 2.683 179.519 176.870 -0.057 0.000 1.078 482 L CA 1.347 56.142 54.840 -0.075 0.000 0.749 482 L CB -0.918 41.081 42.059 -0.099 0.000 0.901 482 L HN 0.268 nan 8.230 nan 0.000 0.433 483 T N -1.084 113.439 114.554 -0.052 0.000 2.788 483 T HA -0.220 4.124 4.350 -0.010 0.000 0.268 483 T C 1.775 176.458 174.700 -0.028 0.000 1.044 483 T CA 1.247 63.322 62.100 -0.041 0.000 1.139 483 T CB -0.099 68.745 68.868 -0.040 0.000 0.867 483 T HN 0.338 nan 8.240 nan 0.000 0.454 484 E N 0.309 120.492 120.200 -0.028 0.000 2.107 484 E HA -0.030 4.314 4.350 -0.010 0.000 0.191 484 E C 2.114 178.705 176.600 -0.015 0.000 0.982 484 E CA 0.559 56.947 56.400 -0.020 0.000 0.809 484 E CB -0.128 29.558 29.700 -0.023 0.000 0.756 484 E HN 0.492 nan 8.360 nan 0.000 0.459 485 I N 0.730 121.288 120.570 -0.020 0.000 2.226 485 I HA -0.282 3.882 4.170 -0.010 0.000 0.245 485 I C 2.781 178.902 176.117 0.006 0.000 1.100 485 I CA 0.977 62.270 61.300 -0.011 0.000 1.374 485 I CB -0.307 37.682 38.000 -0.019 0.000 1.057 485 I HN 0.044 nan 8.210 nan 0.000 0.413 486 R N 1.150 121.652 120.500 0.005 0.000 2.091 486 R HA -0.203 4.131 4.340 -0.010 0.000 0.238 486 R C 2.106 178.426 176.300 0.033 0.000 1.136 486 R CA 1.826 57.941 56.100 0.024 0.000 0.959 486 R CB -0.134 30.169 30.300 0.006 0.000 0.856 486 R HN 0.438 nan 8.270 nan 0.000 0.437 487 E N -0.041 120.169 120.200 0.017 0.000 2.028 487 E HA -0.145 4.199 4.350 -0.010 0.000 0.191 487 E C 2.156 178.768 176.600 0.020 0.000 0.988 487 E CA 1.111 57.522 56.400 0.018 0.000 0.799 487 E CB 0.107 29.811 29.700 0.007 0.000 0.755 487 E HN 0.287 nan 8.360 nan 0.000 0.447 488 K N -0.850 119.558 120.400 0.014 0.000 2.021 488 K HA -0.041 4.274 4.320 -0.010 0.000 0.205 488 K C 1.388 177.998 176.600 0.017 0.000 1.047 488 K CA 0.959 57.253 56.287 0.013 0.000 0.943 488 K CB 0.105 32.609 32.500 0.007 0.000 0.725 488 K HN 0.304 nan 8.250 nan 0.000 0.439 489 G N 1.752 110.564 108.800 0.020 0.000 2.157 489 G HA2 -0.240 3.714 3.960 -0.010 0.000 0.248 489 G HA3 -0.240 3.714 3.960 -0.010 0.000 0.248 489 G C -0.297 174.614 174.900 0.017 0.000 0.979 489 G CA 0.448 45.561 45.100 0.022 0.000 0.650 489 G HN 0.401 nan 8.290 nan 0.000 0.529 490 E N -1.153 119.055 120.200 0.013 0.000 2.392 490 E HA 0.722 5.066 4.350 -0.010 0.000 0.269 490 E C -0.706 175.897 176.600 0.006 0.000 0.924 490 E CA -1.040 55.367 56.400 0.012 0.000 0.784 490 E CB 2.011 31.718 29.700 0.011 0.000 1.292 490 E HN 0.101 nan 8.360 nan 0.000 0.447 491 L N 2.211 123.437 121.223 0.006 0.000 2.318 491 L HA 0.269 4.603 4.340 -0.010 0.000 0.277 491 L C -0.273 176.595 176.870 -0.004 0.000 1.008 491 L CA -0.570 54.267 54.840 -0.005 0.000 0.846 491 L CB 1.344 43.399 42.059 -0.006 0.000 1.220 491 L HN 0.576 nan 8.230 nan 0.000 0.423 492 S N 2.013 117.707 115.700 -0.010 0.000 2.572 492 S HA 0.100 4.564 4.470 -0.010 0.000 0.279 492 S C 1.172 175.766 174.600 -0.010 0.000 1.341 492 S CA -0.779 57.417 58.200 -0.006 0.000 1.043 492 S CB 1.045 64.241 63.200 -0.007 0.000 0.887 492 S HN 0.711 nan 8.310 nan 0.000 0.516 493 K N 1.612 122.011 120.400 -0.002 0.000 2.218 493 K HA -0.247 4.068 4.320 -0.010 0.000 0.205 493 K C 1.631 178.227 176.600 -0.006 0.000 1.046 493 K CA 1.724 58.012 56.287 0.001 0.000 0.933 493 K CB -0.338 32.168 32.500 0.010 0.000 0.728 493 K HN 0.830 nan 8.250 nan 0.000 0.454 494 E N 1.063 121.257 120.200 -0.010 0.000 2.047 494 E HA -0.163 4.181 4.350 -0.010 0.000 0.191 494 E C 1.975 178.557 176.600 -0.029 0.000 0.987 494 E CA 0.590 56.982 56.400 -0.013 0.000 0.799 494 E CB 0.023 29.718 29.700 -0.009 0.000 0.752 494 E HN 0.222 nan 8.360 nan 0.000 0.449 495 L N 0.731 121.930 121.223 -0.039 0.000 2.275 495 L HA -0.054 4.280 4.340 -0.010 0.000 0.215 495 L C 2.085 178.887 176.870 -0.114 0.000 1.119 495 L CA 0.943 55.745 54.840 -0.064 0.000 0.790 495 L CB -0.199 41.827 42.059 -0.055 0.000 0.919 495 L HN 0.231 nan 8.230 nan 0.000 0.443 496 L N -1.051 120.109 121.223 -0.105 0.000 2.209 496 L HA 0.134 4.468 4.340 -0.010 0.000 0.207 496 L C 2.371 179.156 176.870 -0.142 0.000 1.094 496 L CA 1.463 56.202 54.840 -0.169 0.000 0.790 496 L CB -0.564 41.450 42.059 -0.075 0.000 0.932 496 L HN 0.190 nan 8.230 nan 0.000 0.447 497 A N -2.079 120.707 122.820 -0.057 0.000 2.121 497 A HA -0.116 4.198 4.320 -0.010 0.000 0.218 497 A C 2.446 180.012 177.584 -0.031 0.000 1.154 497 A CA 1.554 53.580 52.037 -0.017 0.000 0.679 497 A CB -0.517 18.486 19.000 0.004 0.000 0.795 497 A HN 0.443 nan 8.150 nan 0.000 0.458 498 S N -1.087 114.572 115.700 -0.068 0.000 2.427 498 S HA 0.008 4.472 4.470 -0.010 0.000 0.224 498 S C 1.761 176.284 174.600 -0.127 0.000 1.047 498 S CA 0.694 58.854 58.200 -0.067 0.000 0.953 498 S CB -0.309 62.860 63.200 -0.052 0.000 0.824 498 S HN 0.384 nan 8.310 nan 0.000 0.502 499 L N 2.559 123.653 121.223 -0.216 0.000 2.129 499 L HA 0.013 4.347 4.340 -0.010 0.000 0.212 499 L C 2.076 178.808 176.870 -0.229 0.000 1.087 499 L CA 1.859 56.515 54.840 -0.307 0.000 0.757 499 L CB -0.816 40.901 42.059 -0.570 0.000 0.896 499 L HN 0.243 nan 8.230 nan 0.000 0.434 500 K N -1.396 118.915 120.400 -0.148 0.000 2.057 500 K HA -0.124 4.190 4.320 -0.010 0.000 0.207 500 K C 2.108 178.747 176.600 0.064 0.000 1.049 500 K CA 1.564 57.901 56.287 0.084 0.000 0.931 500 K CB -0.038 32.551 32.500 0.149 0.000 0.714 500 K HN 0.324 nan 8.250 nan 0.000 0.440 501 S N 0.080 115.798 115.700 0.030 0.000 2.383 501 S HA -0.088 4.376 4.470 -0.010 0.000 0.227 501 S C 1.907 176.552 174.600 0.075 0.000 1.026 501 S CA 1.102 59.337 58.200 0.058 0.000 0.981 501 S CB -0.082 63.153 63.200 0.057 0.000 0.818 501 S HN 0.482 nan 8.310 nan 0.000 0.472 502 A N 0.953 123.774 122.820 0.001 0.000 2.016 502 A HA -0.002 4.312 4.320 -0.010 0.000 0.217 502 A C 2.194 179.935 177.584 0.262 0.000 1.162 502 A CA 1.520 53.579 52.037 0.036 0.000 0.662 502 A CB -0.778 17.929 19.000 -0.488 0.000 0.812 502 A HN 0.464 nan 8.150 nan 0.000 0.450 503 T N -0.235 114.405 114.554 0.144 0.000 2.894 503 T HA -0.042 4.303 4.350 -0.010 0.000 0.258 503 T C 1.694 176.419 174.700 0.043 0.000 1.043 503 T CA 1.336 63.470 62.100 0.056 0.000 1.141 503 T CB -0.127 68.657 68.868 -0.140 0.000 0.873 503 T HN 0.620 nan 8.240 nan 0.000 0.449 504 E N 1.156 121.392 120.200 0.060 0.000 2.150 504 E HA -0.076 4.268 4.350 -0.010 0.000 0.193 504 E C 2.378 179.027 176.600 0.082 0.000 0.985 504 E CA 0.943 57.407 56.400 0.107 0.000 0.814 504 E CB -0.103 29.676 29.700 0.133 0.000 0.752 504 E HN 0.315 nan 8.360 nan 0.000 0.466 505 S N 0.052 115.820 115.700 0.113 0.000 2.383 505 S HA -0.149 4.316 4.470 -0.010 0.000 0.227 505 S C 1.678 176.297 174.600 0.031 0.000 1.026 505 S CA 0.818 59.083 58.200 0.108 0.000 0.981 505 S CB -0.168 63.158 63.200 0.210 0.000 0.818 505 S HN 0.346 nan 8.310 nan 0.000 0.472 506 F N 1.590 121.440 119.950 -0.167 0.000 2.335 506 F HA 0.187 4.707 4.527 -0.010 0.000 0.296 506 F C 1.947 177.625 175.800 -0.204 0.000 1.091 506 F CA 0.718 58.496 58.000 -0.370 0.000 1.399 506 F CB -0.420 38.258 39.000 -0.536 0.000 1.067 506 F HN 0.040 nan 8.300 nan 0.000 0.520 507 V N 0.654 120.435 119.914 -0.221 0.000 2.515 507 V HA -0.240 3.875 4.120 -0.010 0.000 0.250 507 V C 2.645 178.616 176.094 -0.205 0.000 1.058 507 V CA 1.655 63.837 62.300 -0.198 0.000 1.064 507 V CB -1.332 30.502 31.823 0.018 0.000 0.675 507 V HN 0.451 nan 8.190 nan 0.000 0.461 508 A N -1.265 121.467 122.820 -0.146 0.000 2.209 508 A HA 0.061 4.375 4.320 -0.010 0.000 0.212 508 A C 1.294 178.788 177.584 -0.149 0.000 1.158 508 A CA 1.644 53.614 52.037 -0.111 0.000 0.742 508 A CB -0.221 18.747 19.000 -0.054 0.000 0.790 508 A HN 0.552 nan 8.150 nan 0.000 0.472 509 T N 0.000 114.401 114.554 -0.255 0.000 3.816 509 T HA 0.000 4.344 4.350 -0.010 0.000 0.228 509 T CA 0.000 61.950 62.100 -0.251 0.000 1.349 509 T CB 0.000 68.772 68.868 -0.161 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658