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 2xok_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 SFVATF 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 0.000 177.580 177.584 -0.006 0.000 1.274 25 A CA 0.000 52.043 52.037 0.011 0.000 0.836 25 A CB 0.000 19.005 19.000 0.009 0.000 0.831 26 N N 2.052 120.745 118.700 -0.013 0.000 2.971 26 N HA 0.383 5.122 4.740 -0.001 0.000 0.294 26 N C -0.588 174.898 175.510 -0.041 0.000 1.210 26 N CA -0.160 52.875 53.050 -0.025 0.000 1.157 26 N CB -0.071 38.404 38.487 -0.020 0.000 1.450 26 N HN 0.431 nan 8.380 nan 0.000 0.527 27 L N 1.398 122.584 121.223 -0.062 0.000 2.436 27 L HA 0.086 4.425 4.340 -0.001 0.000 0.244 27 L C 0.721 177.529 176.870 -0.104 0.000 1.396 27 L CA -0.007 54.772 54.840 -0.101 0.000 1.217 27 L CB -0.564 41.389 42.059 -0.178 0.000 1.420 27 L HN 0.497 nan 8.230 nan 0.000 0.434 28 N N -0.456 118.198 118.700 -0.075 0.000 2.104 28 N HA 0.021 4.760 4.740 -0.001 0.000 0.227 28 N C 1.016 176.491 175.510 -0.058 0.000 1.321 28 N CA 0.095 53.105 53.050 -0.067 0.000 0.877 28 N CB 0.832 39.289 38.487 -0.051 0.000 1.117 28 N HN 0.315 nan 8.380 nan 0.000 0.486 29 E N 0.572 120.738 120.200 -0.056 0.000 2.511 29 E HA 0.134 4.483 4.350 -0.001 0.000 0.209 29 E C 0.227 176.786 176.600 -0.068 0.000 0.986 29 E CA 0.430 56.797 56.400 -0.054 0.000 0.974 29 E CB 1.242 30.917 29.700 -0.040 0.000 1.030 29 E HN 0.311 nan 8.360 nan 0.000 0.490 30 T N -2.176 112.334 114.554 -0.074 0.000 2.896 30 T HA 0.806 5.155 4.350 -0.001 0.000 0.297 30 T C 0.242 174.888 174.700 -0.090 0.000 1.108 30 T CA -0.705 61.347 62.100 -0.079 0.000 1.004 30 T CB 2.577 71.413 68.868 -0.052 0.000 1.159 30 T HN 0.001 nan 8.240 nan 0.000 0.499 31 G N 0.326 109.078 108.800 -0.081 0.000 2.687 31 G HA2 0.697 4.656 3.960 -0.001 0.000 0.291 31 G HA3 0.697 4.656 3.960 -0.001 0.000 0.291 31 G C -1.715 173.195 174.900 0.017 0.000 1.420 31 G CA -1.158 43.910 45.100 -0.053 0.000 0.796 31 G HN 0.775 nan 8.290 nan 0.000 0.485 32 R N -0.333 120.228 120.500 0.101 0.000 2.621 32 R HA 0.508 4.847 4.340 -0.001 0.000 0.292 32 R C -0.785 175.616 176.300 0.168 0.000 0.969 32 R CA -0.765 55.417 56.100 0.136 0.000 0.887 32 R CB 2.596 32.987 30.300 0.152 0.000 1.180 32 R HN 0.329 nan 8.270 nan 0.000 0.450 33 V N 4.812 124.825 119.914 0.166 0.000 2.540 33 V HA -0.048 4.071 4.120 -0.001 0.000 0.297 33 V C 1.514 177.676 176.094 0.114 0.000 1.024 33 V CA 0.542 62.942 62.300 0.167 0.000 1.105 33 V CB 0.362 32.283 31.823 0.164 0.000 0.938 33 V HN 0.717 nan 8.190 nan 0.000 0.482 34 L N 4.116 125.400 121.223 0.103 0.000 2.221 34 L HA 0.465 4.804 4.340 -0.001 0.000 0.202 34 L C 0.939 177.827 176.870 0.030 0.000 1.074 34 L CA 1.215 56.087 54.840 0.052 0.000 0.795 34 L CB -0.031 42.055 42.059 0.046 0.000 0.960 34 L HN 0.783 nan 8.230 nan 0.000 0.458 35 A N -0.812 122.030 122.820 0.037 0.000 2.589 35 A HA 0.652 4.971 4.320 -0.001 0.000 0.296 35 A C -1.748 175.843 177.584 0.012 0.000 1.062 35 A CA -0.395 51.651 52.037 0.015 0.000 0.686 35 A CB 1.914 20.917 19.000 0.005 0.000 1.282 35 A HN -0.204 nan 8.150 nan 0.000 0.404 36 V N 0.759 120.667 119.914 -0.010 0.000 2.760 36 V HA 0.961 5.080 4.120 -0.001 0.000 0.309 36 V C -0.153 175.917 176.094 -0.040 0.000 1.077 36 V CA 0.763 63.042 62.300 -0.035 0.000 0.910 36 V CB 1.847 33.631 31.823 -0.065 0.000 1.008 36 V HN 2.331 nan 8.190 nan 0.000 0.424 37 G N 3.308 112.080 108.800 -0.047 0.000 2.556 37 G HA2 0.510 4.469 3.960 -0.001 0.000 0.294 37 G HA3 0.510 4.469 3.960 -0.001 0.000 0.294 37 G C -0.873 173.998 174.900 -0.048 0.000 1.516 37 G CA 0.094 45.168 45.100 -0.044 0.000 0.824 37 G HN 0.917 nan 8.290 nan 0.000 0.535 38 D N -0.635 119.737 120.400 -0.046 0.000 2.837 38 D HA -0.150 4.489 4.640 -0.001 0.000 0.230 38 D C 1.659 177.925 176.300 -0.058 0.000 1.152 38 D CA 2.966 56.937 54.000 -0.047 0.000 0.736 38 D CB -1.209 39.564 40.800 -0.045 0.000 1.084 38 D HN 2.260 nan 8.370 nan 0.000 0.429 39 G N -1.234 107.526 108.800 -0.066 0.000 2.179 39 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.260 39 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.260 39 G C 0.336 175.178 174.900 -0.098 0.000 0.977 39 G CA 0.460 45.512 45.100 -0.080 0.000 0.641 39 G HN 0.582 nan 8.290 nan 0.000 0.533 40 I N -0.838 119.682 120.570 -0.083 0.000 2.797 40 I HA 0.862 5.031 4.170 -0.001 0.000 0.307 40 I C 0.180 176.262 176.117 -0.060 0.000 1.033 40 I CA -0.900 60.357 61.300 -0.071 0.000 1.071 40 I CB 1.766 39.734 38.000 -0.052 0.000 1.255 40 I HN 0.651 nan 8.210 nan 0.000 0.445 41 A N 3.965 126.771 122.820 -0.023 0.000 2.402 41 A HA 0.652 4.971 4.320 -0.001 0.000 0.291 41 A C -0.637 176.992 177.584 0.075 0.000 1.051 41 A CA -0.748 51.299 52.037 0.018 0.000 0.716 41 A CB 1.111 20.115 19.000 0.008 0.000 1.223 41 A HN 0.741 nan 8.150 nan 0.000 0.425 42 R N 1.742 122.281 120.500 0.065 0.000 2.205 42 R HA 0.457 4.796 4.340 -0.001 0.000 0.342 42 R C -0.623 175.746 176.300 0.116 0.000 1.058 42 R CA -0.234 55.913 56.100 0.078 0.000 0.904 42 R CB 1.088 31.420 30.300 0.054 0.000 1.089 42 R HN 0.472 nan 8.270 nan 0.000 0.471 43 V N 4.304 124.296 119.914 0.130 0.000 2.567 43 V HA 0.248 4.368 4.120 -0.001 0.000 0.289 43 V C -0.156 176.041 176.094 0.171 0.000 1.049 43 V CA -0.600 61.787 62.300 0.145 0.000 0.969 43 V CB 0.990 32.871 31.823 0.097 0.000 0.995 43 V HN 0.466 nan 8.190 nan 0.000 0.471 44 F N 3.347 123.310 119.950 0.021 0.000 2.404 44 F HA 0.732 5.258 4.527 -0.001 0.000 0.339 44 F C 0.824 176.624 175.800 0.001 0.000 1.105 44 F CA 0.770 58.776 58.000 0.010 0.000 1.087 44 F CB 0.925 39.932 39.000 0.011 0.000 1.143 44 F HN 0.874 nan 8.300 nan 0.000 0.491 45 G N 4.487 112.757 108.800 -0.883 0.000 2.527 45 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.262 45 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.262 45 G C 0.071 174.790 174.900 -0.301 0.000 1.153 45 G CA -0.315 44.368 45.100 -0.696 0.000 0.954 45 G HN 1.342 nan 8.290 nan 0.000 0.552 46 L N 0.400 121.496 121.223 -0.213 0.000 3.887 46 L HA -0.202 4.138 4.340 -0.001 0.000 0.546 46 L C 1.386 178.184 176.870 -0.120 0.000 1.196 46 L CA 0.542 55.300 54.840 -0.137 0.000 0.777 46 L CB -1.028 40.967 42.059 -0.107 0.000 1.346 46 L HN 0.667 nan 8.230 nan 0.000 0.810 47 N N 0.209 118.834 118.700 -0.125 0.000 2.354 47 N HA -0.056 4.683 4.740 -0.001 0.000 0.179 47 N C 1.129 176.601 175.510 -0.064 0.000 1.021 47 N CA 1.122 54.113 53.050 -0.098 0.000 0.887 47 N CB 0.005 38.430 38.487 -0.103 0.000 0.974 47 N HN 0.582 nan 8.380 nan 0.000 0.437 48 N N 0.664 119.329 118.700 -0.058 0.000 2.336 48 N HA 0.163 4.902 4.740 -0.001 0.000 0.189 48 N C 0.477 175.966 175.510 -0.035 0.000 1.113 48 N CA -0.138 52.887 53.050 -0.041 0.000 0.858 48 N CB 0.686 39.151 38.487 -0.037 0.000 0.970 48 N HN 0.266 nan 8.380 nan 0.000 0.471 49 I N 1.303 121.848 120.570 -0.042 0.000 2.948 49 I HA -0.145 4.024 4.170 -0.001 0.000 0.290 49 I C -0.120 175.985 176.117 -0.020 0.000 1.226 49 I CA 0.318 61.598 61.300 -0.033 0.000 1.413 49 I CB 0.441 38.417 38.000 -0.041 0.000 1.352 49 I HN 0.210 nan 8.210 nan 0.000 0.597 50 Q N 5.858 125.652 119.800 -0.010 0.000 2.348 50 Q HA 0.652 4.991 4.340 -0.001 0.000 0.271 50 Q C -0.511 175.493 176.000 0.007 0.000 1.067 50 Q CA -1.039 54.764 55.803 -0.001 0.000 0.839 50 Q CB 1.548 30.288 28.738 0.003 0.000 1.354 50 Q HN 0.730 nan 8.270 nan 0.000 0.447 51 A N 1.496 124.323 122.820 0.012 0.000 2.531 51 A HA 0.040 4.360 4.320 -0.001 0.000 0.236 51 A C 0.333 177.934 177.584 0.029 0.000 1.062 51 A CA 0.373 52.422 52.037 0.020 0.000 0.760 51 A CB -0.262 18.751 19.000 0.021 0.000 0.995 51 A HN 0.967 nan 8.150 nan 0.000 0.501 52 E N -0.935 119.289 120.200 0.039 0.000 3.673 52 E HA -0.215 4.135 4.350 -0.001 0.000 0.309 52 E C 0.282 176.921 176.600 0.064 0.000 0.819 52 E CA 1.323 57.756 56.400 0.056 0.000 1.111 52 E CB -1.180 28.549 29.700 0.050 0.000 1.561 52 E HN 0.904 nan 8.360 nan 0.000 0.450 53 E N 0.763 120.992 120.200 0.048 0.000 2.383 53 E HA 0.272 4.621 4.350 -0.001 0.000 0.264 53 E C -0.096 176.546 176.600 0.070 0.000 1.050 53 E CA -0.253 56.175 56.400 0.047 0.000 0.896 53 E CB 0.676 30.389 29.700 0.022 0.000 0.982 53 E HN 0.085 nan 8.360 nan 0.000 0.424 54 L N 3.672 124.944 121.223 0.083 0.000 2.453 54 L HA 0.219 4.558 4.340 -0.001 0.000 0.261 54 L C -0.724 176.181 176.870 0.059 0.000 1.179 54 L CA -0.088 54.823 54.840 0.119 0.000 0.813 54 L CB 1.246 43.377 42.059 0.120 0.000 1.110 54 L HN 0.382 nan 8.230 nan 0.000 0.466 55 V N 0.048 120.000 119.914 0.064 0.000 2.888 55 V HA 0.588 4.708 4.120 -0.001 0.000 0.309 55 V C -0.823 175.236 176.094 -0.059 0.000 1.114 55 V CA -0.835 61.426 62.300 -0.065 0.000 0.940 55 V CB 1.643 33.342 31.823 -0.207 0.000 1.021 55 V HN 0.794 nan 8.190 nan 0.000 0.426 56 E N 2.199 122.325 120.200 -0.122 0.000 2.191 56 E HA 0.637 4.987 4.350 -0.001 0.000 0.274 56 E C -1.694 174.802 176.600 -0.174 0.000 0.948 56 E CA -0.632 55.748 56.400 -0.032 0.000 0.802 56 E CB 1.748 31.460 29.700 0.020 0.000 1.137 56 E HN 0.655 nan 8.360 nan 0.000 0.397 57 F N 0.690 120.665 119.950 0.042 0.000 2.509 57 F HA 0.189 4.715 4.527 -0.001 0.000 0.334 57 F C 1.785 177.603 175.800 0.030 0.000 1.060 57 F CA -0.483 57.537 58.000 0.034 0.000 0.997 57 F CB 1.387 40.407 39.000 0.034 0.000 1.271 57 F HN 0.451 nan 8.300 nan 0.000 0.488 58 S N -0.098 115.744 115.700 0.236 0.000 2.407 58 S HA -0.190 4.279 4.470 -0.001 0.000 0.235 58 S C 1.422 176.089 174.600 0.110 0.000 1.036 58 S CA 1.760 60.039 58.200 0.132 0.000 1.013 58 S CB -0.491 62.776 63.200 0.112 0.000 0.820 58 S HN 0.607 nan 8.310 nan 0.000 0.476 59 S N -0.282 115.496 115.700 0.130 0.000 2.537 59 S HA 0.501 4.970 4.470 -0.001 0.000 0.246 59 S C 1.061 175.721 174.600 0.100 0.000 1.036 59 S CA 0.282 58.536 58.200 0.090 0.000 1.041 59 S CB 0.159 63.397 63.200 0.063 0.000 0.799 59 S HN 0.665 nan 8.310 nan 0.000 0.456 60 G N 0.655 109.529 108.800 0.123 0.000 2.180 60 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.263 60 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.263 60 G C 0.173 175.159 174.900 0.143 0.000 0.989 60 G CA 0.295 45.464 45.100 0.115 0.000 0.692 60 G HN 1.385 nan 8.290 nan 0.000 0.526 61 V N 0.954 120.981 119.914 0.188 0.000 2.455 61 V HA 0.546 4.665 4.120 -0.001 0.000 0.273 61 V C 0.381 176.682 176.094 0.344 0.000 1.045 61 V CA -1.029 61.388 62.300 0.195 0.000 0.976 61 V CB 0.788 32.661 31.823 0.084 0.000 0.993 61 V HN 0.209 nan 8.190 nan 0.000 0.475 62 K N 5.931 126.519 120.400 0.313 0.000 2.276 62 K HA 0.495 4.814 4.320 -0.001 0.000 0.283 62 K C 0.322 177.230 176.600 0.514 0.000 1.044 62 K CA 0.187 56.712 56.287 0.395 0.000 0.944 62 K CB 1.410 34.107 32.500 0.327 0.000 1.012 62 K HN 0.904 nan 8.250 nan 0.000 0.472 63 G N 1.230 110.323 108.800 0.489 0.000 2.932 63 G HA2 0.714 4.674 3.960 -0.001 0.000 0.283 63 G HA3 0.714 4.674 3.960 -0.001 0.000 0.283 63 G C -1.090 173.916 174.900 0.176 0.000 1.336 63 G CA -0.607 44.678 45.100 0.308 0.000 1.056 63 G HN 0.495 nan 8.290 nan 0.000 0.522 64 M N 0.153 119.739 119.600 -0.024 0.000 2.433 64 M HA 0.612 5.091 4.480 -0.001 0.000 0.290 64 M C -0.905 175.401 176.300 0.010 0.000 1.173 64 M CA -0.887 54.431 55.300 0.029 0.000 0.905 64 M CB 2.174 34.773 32.600 -0.000 0.000 1.692 64 M HN 0.662 nan 8.290 nan 0.000 0.462 65 A N 4.240 127.080 122.820 0.034 0.000 2.410 65 A HA 0.361 4.680 4.320 -0.001 0.000 0.292 65 A C 0.063 177.657 177.584 0.016 0.000 1.232 65 A CA -0.368 51.681 52.037 0.020 0.000 0.893 65 A CB -0.088 18.921 19.000 0.015 0.000 1.131 65 A HN 0.894 nan 8.150 nan 0.000 0.530 66 L N 3.301 124.526 121.223 0.003 0.000 2.038 66 L HA 0.182 4.521 4.340 -0.001 0.000 0.205 66 L C 1.001 177.878 176.870 0.010 0.000 1.151 66 L CA 1.801 56.642 54.840 0.002 0.000 0.799 66 L CB -0.338 41.709 42.059 -0.020 0.000 0.926 66 L HN 0.875 nan 8.230 nan 0.000 0.457 67 N N -0.604 118.099 118.700 0.006 0.000 2.417 67 N HA 0.504 5.243 4.740 -0.001 0.000 0.300 67 N C -1.575 173.941 175.510 0.009 0.000 1.102 67 N CA -0.542 52.514 53.050 0.009 0.000 0.886 67 N CB 0.913 39.403 38.487 0.006 0.000 1.203 67 N HN 0.214 nan 8.380 nan 0.000 0.496 68 L N 0.582 121.810 121.223 0.009 0.000 2.319 68 L HA 0.494 4.833 4.340 -0.001 0.000 0.281 68 L C -0.319 176.556 176.870 0.009 0.000 1.005 68 L CA -0.755 54.089 54.840 0.006 0.000 0.828 68 L CB 1.104 43.163 42.059 0.001 0.000 1.227 68 L HN 0.643 nan 8.230 nan 0.000 0.415 69 E N 3.548 123.756 120.200 0.014 0.000 2.264 69 E HA 0.481 4.831 4.350 -0.001 0.000 0.260 69 E C -2.431 174.181 176.600 0.020 0.000 0.961 69 E CA -2.014 54.396 56.400 0.017 0.000 0.834 69 E CB 1.036 30.750 29.700 0.023 0.000 1.230 69 E HN 0.371 nan 8.360 nan 0.000 0.412 70 P HA 0.056 nan 4.420 nan 0.000 0.271 70 P C 0.439 177.771 177.300 0.054 0.000 1.226 70 P CA 0.525 63.642 63.100 0.029 0.000 0.765 70 P CB 0.849 32.565 31.700 0.026 0.000 0.835 71 G N 2.453 111.296 108.800 0.072 0.000 2.397 71 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.211 71 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.211 71 G C -0.148 174.874 174.900 0.203 0.000 1.077 71 G CA 0.278 45.474 45.100 0.159 0.000 0.649 71 G HN 0.876 nan 8.290 nan 0.000 0.511 72 Q N -0.525 119.345 119.800 0.117 0.000 2.462 72 Q HA 0.706 5.046 4.340 -0.001 0.000 0.285 72 Q C -1.742 174.291 176.000 0.054 0.000 1.035 72 Q CA -0.952 54.922 55.803 0.117 0.000 0.799 72 Q CB 2.477 31.297 28.738 0.136 0.000 1.452 72 Q HN 0.525 nan 8.270 nan 0.000 0.404 73 V N 1.103 121.045 119.914 0.046 0.000 2.409 73 V HA 0.545 4.664 4.120 -0.001 0.000 0.291 73 V C 0.352 176.470 176.094 0.041 0.000 1.020 73 V CA -0.268 62.049 62.300 0.027 0.000 0.848 73 V CB 1.430 33.256 31.823 0.005 0.000 0.990 73 V HN 0.848 nan 8.190 nan 0.000 0.430 74 G N 5.506 114.324 108.800 0.029 0.000 2.354 74 G HA2 0.548 4.508 3.960 -0.001 0.000 0.266 74 G HA3 0.548 4.508 3.960 -0.001 0.000 0.266 74 G C -0.592 174.322 174.900 0.024 0.000 1.242 74 G CA -0.087 45.028 45.100 0.024 0.000 0.923 74 G HN 0.617 nan 8.290 nan 0.000 0.476 75 I N 2.422 123.018 120.570 0.043 0.000 2.466 75 I HA 0.183 4.352 4.170 -0.001 0.000 0.289 75 I C -0.338 175.782 176.117 0.005 0.000 1.026 75 I CA -0.948 60.388 61.300 0.059 0.000 1.078 75 I CB 2.476 40.583 38.000 0.178 0.000 1.249 75 I HN 0.112 nan 8.210 nan 0.000 0.429 76 V N 6.889 126.754 119.914 -0.081 0.000 2.432 76 V HA 0.308 4.427 4.120 -0.001 0.000 0.275 76 V C 0.280 176.210 176.094 -0.273 0.000 1.043 76 V CA -0.617 61.572 62.300 -0.185 0.000 0.925 76 V CB 1.172 32.841 31.823 -0.257 0.000 0.985 76 V HN 0.460 nan 8.190 nan 0.000 0.466 77 L N 4.841 125.932 121.223 -0.220 0.000 2.360 77 L HA 0.343 4.682 4.340 -0.001 0.000 0.276 77 L C -0.119 176.630 176.870 -0.203 0.000 1.121 77 L CA -0.157 54.567 54.840 -0.193 0.000 0.845 77 L CB 0.221 42.172 42.059 -0.179 0.000 1.143 77 L HN 0.531 nan 8.230 nan 0.000 0.452 78 F N 2.772 122.760 119.950 0.064 0.000 2.733 78 F HA 0.461 4.988 4.527 -0.001 0.000 0.344 78 F C 1.086 176.913 175.800 0.045 0.000 1.179 78 F CA -0.209 57.834 58.000 0.071 0.000 1.316 78 F CB -0.173 38.884 39.000 0.094 0.000 1.577 78 F HN 0.582 nan 8.300 nan 0.000 0.591 79 G N -0.760 108.122 108.800 0.137 0.000 2.317 79 G HA2 0.257 4.216 3.960 -0.001 0.000 0.293 79 G HA3 0.257 4.216 3.960 -0.001 0.000 0.293 79 G C -1.041 173.870 174.900 0.019 0.000 1.287 79 G CA -0.750 44.400 45.100 0.084 0.000 0.850 79 G HN 0.188 nan 8.290 nan 0.000 0.515 80 S N -0.493 115.213 115.700 0.010 0.000 2.558 80 S HA 0.204 4.673 4.470 -0.001 0.000 0.288 80 S C 0.940 175.509 174.600 -0.051 0.000 1.318 80 S CA 1.074 59.266 58.200 -0.013 0.000 1.056 80 S CB 0.658 63.855 63.200 -0.005 0.000 0.853 80 S HN 0.428 nan 8.310 nan 0.000 0.505 81 D N 3.182 123.546 120.400 -0.059 0.000 2.178 81 D HA -0.111 4.529 4.640 -0.001 0.000 0.202 81 D C 1.958 178.210 176.300 -0.080 0.000 0.974 81 D CA 1.175 55.122 54.000 -0.088 0.000 0.841 81 D CB -0.403 40.354 40.800 -0.071 0.000 0.953 81 D HN 0.805 nan 8.370 nan 0.000 0.478 82 R N 1.160 121.630 120.500 -0.050 0.000 2.139 82 R HA -0.136 4.204 4.340 -0.001 0.000 0.243 82 R C 1.641 177.917 176.300 -0.039 0.000 1.145 82 R CA 1.041 57.119 56.100 -0.036 0.000 0.976 82 R CB -0.450 29.838 30.300 -0.020 0.000 0.866 82 R HN 0.211 nan 8.270 nan 0.000 0.449 83 L N 0.940 122.133 121.223 -0.049 0.000 2.622 83 L HA 0.128 4.467 4.340 -0.001 0.000 0.233 83 L C -0.035 176.792 176.870 -0.072 0.000 1.156 83 L CA -0.151 54.664 54.840 -0.042 0.000 0.866 83 L CB 0.193 42.236 42.059 -0.027 0.000 0.980 83 L HN -0.044 nan 8.230 nan 0.000 0.448 84 V N -0.744 119.100 119.914 -0.116 0.000 2.864 84 V HA 0.455 4.574 4.120 -0.001 0.000 0.314 84 V C -0.197 175.858 176.094 -0.066 0.000 1.073 84 V CA -0.939 61.275 62.300 -0.144 0.000 0.956 84 V CB 2.382 34.005 31.823 -0.333 0.000 1.023 84 V HN 0.056 nan 8.190 nan 0.000 0.435 85 K N 1.542 121.931 120.400 -0.019 0.000 2.464 85 K HA 0.374 4.693 4.320 -0.001 0.000 0.253 85 K C -0.644 175.972 176.600 0.026 0.000 0.933 85 K CA -0.756 55.532 56.287 0.002 0.000 0.801 85 K CB 2.830 35.339 32.500 0.015 0.000 1.271 85 K HN 0.884 nan 8.250 nan 0.000 0.430 86 E N 0.848 121.059 120.200 0.019 0.000 2.585 86 E HA -0.027 4.322 4.350 -0.001 0.000 0.252 86 E C 0.489 177.113 176.600 0.041 0.000 0.981 86 E CA 1.330 57.749 56.400 0.032 0.000 0.943 86 E CB 0.067 29.776 29.700 0.016 0.000 0.923 86 E HN 0.808 nan 8.360 nan 0.000 0.486 87 G N 3.950 112.787 108.800 0.061 0.000 2.352 87 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.204 87 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.204 87 G C 0.023 174.970 174.900 0.079 0.000 1.004 87 G CA -0.020 45.116 45.100 0.060 0.000 0.648 87 G HN 0.613 nan 8.290 nan 0.000 0.491 88 E N 0.318 120.577 120.200 0.099 0.000 2.437 88 E HA 0.316 4.665 4.350 -0.001 0.000 0.263 88 E C 0.098 176.769 176.600 0.118 0.000 1.030 88 E CA -0.143 56.329 56.400 0.119 0.000 0.934 88 E CB 1.169 30.969 29.700 0.167 0.000 0.943 88 E HN 0.368 nan 8.360 nan 0.000 0.444 89 L N 3.236 124.510 121.223 0.086 0.000 2.331 89 L HA 0.167 4.506 4.340 -0.001 0.000 0.278 89 L C -1.053 175.819 176.870 0.003 0.000 1.106 89 L CA -0.314 54.552 54.840 0.043 0.000 0.824 89 L CB 0.891 42.967 42.059 0.029 0.000 1.142 89 L HN 0.174 nan 8.230 nan 0.000 0.443 90 V N 4.841 124.709 119.914 -0.077 0.000 2.448 90 V HA 0.483 4.602 4.120 -0.001 0.000 0.295 90 V C -0.218 175.752 176.094 -0.206 0.000 1.025 90 V CA -0.926 61.217 62.300 -0.260 0.000 0.859 90 V CB 1.444 33.008 31.823 -0.431 0.000 0.988 90 V HN 0.675 nan 8.190 nan 0.000 0.431 91 K N 3.245 123.521 120.400 -0.206 0.000 2.156 91 K HA 0.628 4.947 4.320 -0.001 0.000 0.254 91 K C -0.264 176.256 176.600 -0.133 0.000 0.950 91 K CA -0.885 55.325 56.287 -0.128 0.000 0.849 91 K CB 2.221 34.675 32.500 -0.075 0.000 1.100 91 K HN 0.547 nan 8.250 nan 0.000 0.434 92 R N 0.118 120.564 120.500 -0.090 0.000 2.615 92 R HA 0.108 4.447 4.340 -0.001 0.000 0.270 92 R C 0.631 176.907 176.300 -0.041 0.000 1.081 92 R CA 0.101 56.161 56.100 -0.066 0.000 1.154 92 R CB 0.690 30.959 30.300 -0.051 0.000 1.063 92 R HN 0.700 nan 8.270 nan 0.000 0.519 93 T N -1.034 113.507 114.554 -0.022 0.000 3.000 93 T HA 0.141 4.490 4.350 -0.001 0.000 0.248 93 T C 1.336 176.035 174.700 -0.003 0.000 1.034 93 T CA 0.328 62.425 62.100 -0.005 0.000 1.060 93 T CB 0.526 69.402 68.868 0.013 0.000 0.983 93 T HN 0.874 nan 8.240 nan 0.000 0.482 94 G N 2.378 111.176 108.800 -0.004 0.000 2.245 94 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.264 94 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.264 94 G C 0.005 174.909 174.900 0.007 0.000 0.985 94 G CA -0.060 45.039 45.100 -0.001 0.000 0.625 94 G HN 0.514 nan 8.290 nan 0.000 0.536 95 N N 1.088 119.796 118.700 0.013 0.000 2.455 95 N HA 0.495 5.234 4.740 -0.001 0.000 0.280 95 N C 0.504 176.033 175.510 0.031 0.000 1.055 95 N CA -0.421 52.641 53.050 0.020 0.000 0.961 95 N CB 1.084 39.583 38.487 0.020 0.000 1.121 95 N HN 0.122 nan 8.380 nan 0.000 0.476 96 I N 1.303 121.892 120.570 0.031 0.000 2.696 96 I HA 0.039 4.208 4.170 -0.001 0.000 0.284 96 I C 0.779 176.926 176.117 0.049 0.000 1.129 96 I CA -0.696 60.629 61.300 0.042 0.000 1.410 96 I CB -0.045 37.975 38.000 0.032 0.000 1.399 96 I HN 0.175 nan 8.210 nan 0.000 0.579 97 V N 5.924 125.884 119.914 0.076 0.000 2.717 97 V HA -0.054 4.066 4.120 -0.001 0.000 0.302 97 V C 0.247 176.360 176.094 0.033 0.000 1.097 97 V CA 0.409 62.755 62.300 0.076 0.000 1.262 97 V CB -1.181 30.721 31.823 0.131 0.000 0.846 97 V HN 0.962 nan 8.190 nan 0.000 0.485 98 D N 3.536 123.942 120.400 0.010 0.000 2.609 98 D HA 0.650 5.290 4.640 -0.001 0.000 0.239 98 D C -0.886 175.408 176.300 -0.010 0.000 1.229 98 D CA -0.563 53.441 54.000 0.007 0.000 0.808 98 D CB 2.235 43.043 40.800 0.014 0.000 1.448 98 D HN 0.429 nan 8.370 nan 0.000 0.433 99 V N -3.378 116.535 119.914 -0.001 0.000 3.001 99 V HA 0.699 4.818 4.120 -0.001 0.000 0.314 99 V C -2.829 173.257 176.094 -0.014 0.000 1.099 99 V CA -2.320 59.973 62.300 -0.011 0.000 0.989 99 V CB 1.570 33.392 31.823 -0.002 0.000 1.040 99 V HN 0.439 nan 8.190 nan 0.000 0.434 100 P HA 0.459 nan 4.420 nan 0.000 0.275 100 P C -0.588 176.673 177.300 -0.066 0.000 1.227 100 P CA -0.039 63.032 63.100 -0.049 0.000 0.781 100 P CB 1.129 32.795 31.700 -0.057 0.000 0.906 101 V N -1.194 118.654 119.914 -0.110 0.000 3.167 101 V HA 1.012 5.131 4.120 -0.001 0.000 0.310 101 V C 0.039 175.852 176.094 -0.469 0.000 1.207 101 V CA -0.342 61.844 62.300 -0.190 0.000 1.059 101 V CB 1.207 33.001 31.823 -0.048 0.000 1.079 101 V HN 0.966 nan 8.190 nan 0.000 0.446 102 G N 0.478 108.684 108.800 -0.990 0.000 2.525 102 G HA2 0.059 4.018 3.960 -0.001 0.000 0.685 102 G HA3 0.059 4.018 3.960 -0.001 0.000 0.685 102 G C -2.087 172.008 174.900 -1.343 0.000 1.290 102 G CA -0.026 43.998 45.100 -1.792 0.000 0.915 102 G HN 0.818 nan 8.290 nan 0.000 0.548 103 P HA -0.086 nan 4.420 nan 0.000 0.215 103 P C 2.124 179.210 177.300 -0.356 0.000 1.153 103 P CA 2.428 65.095 63.100 -0.722 0.000 0.853 103 P CB -0.459 30.976 31.700 -0.443 0.000 0.788 104 G N 0.827 109.445 108.800 -0.304 0.000 2.513 104 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.219 104 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.219 104 G C 1.585 176.410 174.900 -0.125 0.000 1.160 104 G CA 1.116 46.113 45.100 -0.172 0.000 0.767 104 G HN 0.193 nan 8.290 nan 0.000 0.571 105 L N 0.044 121.179 121.223 -0.145 0.000 2.103 105 L HA -0.051 4.288 4.340 -0.001 0.000 0.215 105 L C 1.339 178.190 176.870 -0.032 0.000 1.080 105 L CA 0.350 55.142 54.840 -0.079 0.000 0.764 105 L CB -0.835 41.181 42.059 -0.072 0.000 0.890 105 L HN 0.118 nan 8.230 nan 0.000 0.435 106 L N 0.069 121.284 121.223 -0.014 0.000 2.573 106 L HA 0.113 4.453 4.340 -0.001 0.000 0.290 106 L C 1.548 178.423 176.870 0.009 0.000 1.247 106 L CA 1.565 56.419 54.840 0.024 0.000 0.876 106 L CB -0.382 41.713 42.059 0.060 0.000 1.123 106 L HN 0.394 nan 8.230 nan 0.000 0.505 107 G N 1.185 109.988 108.800 0.007 0.000 2.189 107 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.267 107 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.267 107 G C 0.572 175.462 174.900 -0.018 0.000 0.975 107 G CA 0.138 45.230 45.100 -0.013 0.000 0.644 107 G HN 0.463 nan 8.290 nan 0.000 0.537 108 R N -0.813 119.679 120.500 -0.014 0.000 2.758 108 R HA 0.744 5.084 4.340 -0.001 0.000 0.265 108 R C -0.650 175.644 176.300 -0.010 0.000 1.016 108 R CA -0.796 55.295 56.100 -0.016 0.000 1.040 108 R CB 1.856 32.144 30.300 -0.020 0.000 1.152 108 R HN 0.206 nan 8.270 nan 0.000 0.503 109 V N 2.349 122.258 119.914 -0.008 0.000 2.409 109 V HA 0.303 4.422 4.120 -0.001 0.000 0.290 109 V C -0.217 175.877 176.094 0.000 0.000 1.017 109 V CA -0.640 61.660 62.300 0.000 0.000 0.841 109 V CB 1.768 33.591 31.823 0.001 0.000 1.003 109 V HN 0.587 nan 8.190 nan 0.000 0.426 110 V N 1.889 121.804 119.914 0.002 0.000 3.103 110 V HA 0.862 4.981 4.120 -0.001 0.000 0.318 110 V C -0.342 175.753 176.094 0.002 0.000 1.114 110 V CA -0.862 61.437 62.300 -0.003 0.000 1.020 110 V CB 2.105 33.921 31.823 -0.011 0.000 1.085 110 V HN 0.781 nan 8.190 nan 0.000 0.446 111 D N 0.982 121.380 120.400 -0.004 0.000 2.529 111 D HA 0.585 5.224 4.640 -0.001 0.000 0.273 111 D C 1.155 177.444 176.300 -0.018 0.000 1.197 111 D CA -0.109 53.889 54.000 -0.002 0.000 1.070 111 D CB 1.029 41.829 40.800 -0.000 0.000 1.134 111 D HN 0.780 nan 8.370 nan 0.000 0.590 112 A N -0.792 122.015 122.820 -0.022 0.000 2.131 112 A HA -0.052 4.267 4.320 -0.001 0.000 0.220 112 A C 1.720 179.246 177.584 -0.097 0.000 1.158 112 A CA 0.954 52.966 52.037 -0.042 0.000 0.665 112 A CB -0.834 18.150 19.000 -0.027 0.000 0.795 112 A HN 0.488 nan 8.150 nan 0.000 0.460 113 L N -1.020 120.140 121.223 -0.105 0.000 3.062 113 L HA 0.313 4.652 4.340 -0.001 0.000 0.255 113 L C 1.374 178.206 176.870 -0.063 0.000 1.274 113 L CA 0.316 55.087 54.840 -0.116 0.000 1.047 113 L CB 0.142 42.106 42.059 -0.159 0.000 1.402 113 L HN 0.447 nan 8.230 nan 0.000 0.550 114 G N 0.004 108.777 108.800 -0.044 0.000 2.296 114 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.282 114 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.282 114 G C 0.189 175.072 174.900 -0.030 0.000 1.014 114 G CA 0.104 45.185 45.100 -0.032 0.000 0.812 114 G HN 0.437 nan 8.290 nan 0.000 0.508 115 N N 1.417 120.100 118.700 -0.028 0.000 2.458 115 N HA 0.346 5.085 4.740 -0.001 0.000 0.270 115 N C -2.183 173.319 175.510 -0.014 0.000 1.102 115 N CA -1.393 51.645 53.050 -0.020 0.000 0.967 115 N CB 1.308 39.786 38.487 -0.016 0.000 1.078 115 N HN 0.162 nan 8.380 nan 0.000 0.471 116 P HA 0.072 nan 4.420 nan 0.000 0.267 116 P C 0.410 177.706 177.300 -0.006 0.000 1.205 116 P CA 0.112 63.206 63.100 -0.011 0.000 0.765 116 P CB 0.497 32.189 31.700 -0.013 0.000 0.828 117 I N -0.462 120.106 120.570 -0.003 0.000 4.557 117 I HA 0.168 4.337 4.170 -0.001 0.000 0.333 117 I C 0.883 177.000 176.117 0.000 0.000 1.332 117 I CA -0.129 61.172 61.300 0.001 0.000 1.240 117 I CB -0.024 37.980 38.000 0.006 0.000 1.312 117 I HN 0.029 nan 8.210 nan 0.000 0.457 118 D N 1.873 122.271 120.400 -0.003 0.000 2.363 118 D HA 0.087 4.726 4.640 -0.001 0.000 0.220 118 D C 1.806 178.102 176.300 -0.006 0.000 0.994 118 D CA 0.892 54.889 54.000 -0.005 0.000 0.890 118 D CB -0.246 40.549 40.800 -0.009 0.000 0.906 118 D HN 0.501 nan 8.370 nan 0.000 0.530 119 G N 0.690 109.487 108.800 -0.005 0.000 2.148 119 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.254 119 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.254 119 G C 0.386 175.282 174.900 -0.007 0.000 0.981 119 G CA 0.230 45.327 45.100 -0.005 0.000 0.670 119 G HN 0.454 nan 8.290 nan 0.000 0.528 120 K N 0.977 121.371 120.400 -0.010 0.000 3.192 120 K HA 0.448 4.767 4.320 -0.001 0.000 0.269 120 K C 1.461 178.053 176.600 -0.013 0.000 1.270 120 K CA 0.358 56.638 56.287 -0.011 0.000 1.249 120 K CB -0.165 32.327 32.500 -0.013 0.000 1.528 120 K HN 1.286 nan 8.250 nan 0.000 0.360 121 G N 2.530 111.323 108.800 -0.011 0.000 2.553 121 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.242 121 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.242 121 G C -2.667 172.225 174.900 -0.014 0.000 1.277 121 G CA -0.934 44.159 45.100 -0.012 0.000 0.910 121 G HN 0.319 nan 8.290 nan 0.000 0.576 122 P HA 0.601 nan 4.420 nan 0.000 0.287 122 P C -0.074 177.210 177.300 -0.027 0.000 1.270 122 P CA -0.803 62.285 63.100 -0.020 0.000 0.844 122 P CB 0.844 32.533 31.700 -0.019 0.000 1.068 123 I N 2.113 122.664 120.570 -0.031 0.000 2.587 123 I HA -0.016 4.153 4.170 -0.001 0.000 0.284 123 I C 0.759 176.844 176.117 -0.053 0.000 1.134 123 I CA 0.307 61.582 61.300 -0.043 0.000 1.410 123 I CB -0.749 37.224 38.000 -0.044 0.000 1.392 123 I HN 0.437 nan 8.210 nan 0.000 0.545 124 D N 6.439 126.801 120.400 -0.064 0.000 2.339 124 D HA 0.452 5.091 4.640 -0.001 0.000 0.241 124 D C -0.188 176.044 176.300 -0.113 0.000 1.183 124 D CA -0.201 53.754 54.000 -0.076 0.000 0.859 124 D CB 0.816 41.573 40.800 -0.072 0.000 1.067 124 D HN 0.625 nan 8.370 nan 0.000 0.484 125 A N 2.937 125.694 122.820 -0.106 0.000 2.281 125 A HA 0.713 5.032 4.320 -0.001 0.000 0.329 125 A C 0.678 178.173 177.584 -0.148 0.000 1.122 125 A CA -0.072 51.883 52.037 -0.136 0.000 0.850 125 A CB 1.450 20.394 19.000 -0.093 0.000 1.207 125 A HN 0.654 nan 8.150 nan 0.000 0.495 126 A N -0.107 122.596 122.820 -0.194 0.000 2.035 126 A HA 0.600 4.919 4.320 -0.001 0.000 0.208 126 A C 1.064 178.627 177.584 -0.036 0.000 1.206 126 A CA 1.440 53.401 52.037 -0.128 0.000 0.773 126 A CB -0.188 18.691 19.000 -0.202 0.000 0.878 126 A HN 2.123 nan 8.150 nan 0.000 0.469 127 G N -1.028 107.746 108.800 -0.043 0.000 2.500 127 G HA2 0.519 4.478 3.960 -0.001 0.000 0.299 127 G HA3 0.519 4.478 3.960 -0.001 0.000 0.299 127 G C -1.552 173.344 174.900 -0.006 0.000 1.242 127 G CA -0.877 44.224 45.100 0.002 0.000 0.859 127 G HN 0.153 nan 8.290 nan 0.000 0.481 128 R N 0.311 120.821 120.500 0.017 0.000 2.575 128 R HA 0.539 4.879 4.340 -0.001 0.000 0.292 128 R C -0.828 175.491 176.300 0.032 0.000 1.246 128 R CA -0.445 55.663 56.100 0.014 0.000 0.973 128 R CB 1.774 32.077 30.300 0.004 0.000 1.187 128 R HN 0.394 nan 8.270 nan 0.000 0.478 129 S N 1.999 117.725 115.700 0.044 0.000 2.584 129 S HA 0.304 4.773 4.470 -0.001 0.000 0.273 129 S C 0.310 174.935 174.600 0.041 0.000 1.311 129 S CA -0.548 57.685 58.200 0.054 0.000 1.034 129 S CB 0.696 63.944 63.200 0.081 0.000 0.939 129 S HN 0.337 nan 8.310 nan 0.000 0.513 130 R N 1.356 121.879 120.500 0.038 0.000 2.643 130 R HA 0.194 4.533 4.340 -0.001 0.000 0.270 130 R C 1.181 177.503 176.300 0.037 0.000 1.061 130 R CA 0.025 56.144 56.100 0.031 0.000 1.107 130 R CB 0.184 30.499 30.300 0.024 0.000 0.999 130 R HN 0.720 nan 8.270 nan 0.000 0.460 131 A N 2.275 125.113 122.820 0.029 0.000 2.119 131 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 131 A C 0.452 178.033 177.584 -0.005 0.000 1.153 131 A CA 1.010 53.072 52.037 0.042 0.000 0.692 131 A CB 0.228 19.250 19.000 0.037 0.000 0.799 131 A HN 0.489 nan 8.150 nan 0.000 0.458 132 Q N 0.659 120.435 119.800 -0.041 0.000 2.563 132 Q HA 0.448 4.787 4.340 -0.001 0.000 0.232 132 Q C -1.053 174.939 176.000 -0.013 0.000 1.106 132 Q CA 0.014 55.770 55.803 -0.078 0.000 0.913 132 Q CB 0.871 29.547 28.738 -0.104 0.000 1.175 132 Q HN 0.207 nan 8.270 nan 0.000 0.540 133 V N 1.031 120.956 119.914 0.017 0.000 2.881 133 V HA 0.456 4.575 4.120 -0.001 0.000 0.316 133 V C 0.361 176.474 176.094 0.032 0.000 1.070 133 V CA -0.909 61.410 62.300 0.030 0.000 0.976 133 V CB 2.469 34.319 31.823 0.045 0.000 1.038 133 V HN 0.406 nan 8.190 nan 0.000 0.446 134 K N 1.193 121.613 120.400 0.033 0.000 2.087 134 K HA 0.731 5.050 4.320 -0.001 0.000 0.255 134 K C -0.088 176.534 176.600 0.036 0.000 0.988 134 K CA -0.406 55.903 56.287 0.037 0.000 0.915 134 K CB 1.422 33.946 32.500 0.040 0.000 1.043 134 K HN 0.887 nan 8.250 nan 0.000 0.457 135 A N 3.210 126.052 122.820 0.037 0.000 2.371 135 A HA 0.326 4.645 4.320 -0.001 0.000 0.257 135 A C -2.176 175.425 177.584 0.029 0.000 1.089 135 A CA -1.282 50.774 52.037 0.032 0.000 0.794 135 A CB -0.238 18.778 19.000 0.027 0.000 1.029 135 A HN 0.538 nan 8.150 nan 0.000 0.488 136 P HA 0.149 nan 4.420 nan 0.000 0.267 136 P C 0.598 177.912 177.300 0.023 0.000 1.209 136 P CA 0.435 63.548 63.100 0.022 0.000 0.763 136 P CB 0.607 32.319 31.700 0.020 0.000 0.816 137 G N 2.026 110.840 108.800 0.023 0.000 2.514 137 G HA2 0.127 4.086 3.960 -0.001 0.000 0.245 137 G HA3 0.127 4.086 3.960 -0.001 0.000 0.245 137 G C 1.010 175.923 174.900 0.022 0.000 1.488 137 G CA -0.500 44.614 45.100 0.025 0.000 1.063 137 G HN 0.335 nan 8.290 nan 0.000 0.557 138 I N -0.802 119.781 120.570 0.022 0.000 2.394 138 I HA -0.016 4.153 4.170 -0.001 0.000 0.251 138 I C 2.327 178.455 176.117 0.018 0.000 1.136 138 I CA 0.631 61.943 61.300 0.020 0.000 1.425 138 I CB -0.071 37.941 38.000 0.020 0.000 1.079 138 I HN 0.186 nan 8.210 nan 0.000 0.425 139 L N 0.972 122.205 121.223 0.016 0.000 2.316 139 L HA 0.176 4.515 4.340 -0.001 0.000 0.207 139 L C -0.756 176.122 176.870 0.014 0.000 1.070 139 L CA 1.329 56.178 54.840 0.014 0.000 0.820 139 L CB -1.410 40.657 42.059 0.012 0.000 0.992 139 L HN 0.146 nan 8.230 nan 0.000 0.466 140 P HA -0.000 nan 4.420 nan 0.000 0.249 140 P C 0.167 177.476 177.300 0.016 0.000 1.241 140 P CA 0.338 63.446 63.100 0.013 0.000 0.781 140 P CB 0.116 31.823 31.700 0.011 0.000 1.088 141 R N 0.193 120.704 120.500 0.018 0.000 2.596 141 R HA 0.596 4.935 4.340 -0.001 0.000 0.267 141 R C 0.318 176.634 176.300 0.025 0.000 1.026 141 R CA -0.670 55.443 56.100 0.020 0.000 1.087 141 R CB 1.304 31.615 30.300 0.019 0.000 1.132 141 R HN -0.118 nan 8.270 nan 0.000 0.531 142 R N 0.671 121.189 120.500 0.030 0.000 2.535 142 R HA 0.091 4.430 4.340 -0.001 0.000 0.274 142 R C -1.230 175.100 176.300 0.051 0.000 1.090 142 R CA -0.436 55.691 56.100 0.045 0.000 0.930 142 R CB 1.922 32.260 30.300 0.064 0.000 1.223 142 R HN 0.924 nan 8.270 nan 0.000 0.441 143 S N 2.371 118.105 115.700 0.057 0.000 2.673 143 S HA -0.007 4.462 4.470 -0.001 0.000 0.308 143 S C 1.004 175.663 174.600 0.099 0.000 1.246 143 S CA -0.376 57.861 58.200 0.061 0.000 1.077 143 S CB -0.187 63.044 63.200 0.051 0.000 0.814 143 S HN 0.470 nan 8.310 nan 0.000 0.503 144 V N 3.284 123.219 119.914 0.034 0.000 2.694 144 V HA 0.230 4.349 4.120 -0.001 0.000 0.306 144 V C 1.220 177.333 176.094 0.030 0.000 1.054 144 V CA 0.745 63.029 62.300 -0.027 0.000 1.161 144 V CB -0.319 31.469 31.823 -0.059 0.000 0.916 144 V HN 1.173 nan 8.190 nan 0.000 0.490 145 H N 1.119 120.151 119.070 -0.064 0.000 3.710 145 H HA 0.320 4.875 4.556 -0.001 0.000 0.245 145 H C 0.073 175.357 175.328 -0.073 0.000 1.011 145 H CA -0.099 55.915 56.048 -0.056 0.000 1.098 145 H CB 0.339 30.078 29.762 -0.037 0.000 1.406 145 H HN 0.624 nan 8.280 nan 0.000 0.657 146 E N 4.599 124.557 120.200 -0.403 0.000 2.289 146 E HA 0.289 4.638 4.350 -0.001 0.000 0.278 146 E C -2.529 173.936 176.600 -0.226 0.000 1.032 146 E CA -1.890 54.352 56.400 -0.263 0.000 0.854 146 E CB 1.248 30.731 29.700 -0.362 0.000 1.046 146 E HN 0.318 nan 8.360 nan 0.000 0.409 147 P HA 0.061 nan 4.420 nan 0.000 0.277 147 P C -0.815 176.333 177.300 -0.253 0.000 1.240 147 P CA -0.445 62.553 63.100 -0.170 0.000 0.798 147 P CB 0.711 32.340 31.700 -0.119 0.000 0.979 148 V N 3.556 123.336 119.914 -0.223 0.000 2.294 148 V HA 0.143 4.262 4.120 -0.001 0.000 0.272 148 V C 0.084 176.047 176.094 -0.219 0.000 1.027 148 V CA -0.321 61.822 62.300 -0.262 0.000 0.823 148 V CB 0.280 31.983 31.823 -0.200 0.000 1.030 148 V HN 0.454 nan 8.190 nan 0.000 0.457 149 Q N 2.266 121.880 119.800 -0.309 0.000 2.286 149 Q HA 0.183 4.522 4.340 -0.001 0.000 0.265 149 Q C 1.364 177.338 176.000 -0.044 0.000 1.080 149 Q CA 0.314 56.026 55.803 -0.151 0.000 0.906 149 Q CB 0.871 29.541 28.738 -0.113 0.000 1.227 149 Q HN 0.890 nan 8.270 nan 0.000 0.409 150 T N -1.092 113.460 114.554 -0.004 0.000 3.057 150 T HA 0.180 4.529 4.350 -0.001 0.000 0.254 150 T C 1.390 176.125 174.700 0.058 0.000 1.094 150 T CA 0.322 62.433 62.100 0.018 0.000 1.088 150 T CB 0.003 68.872 68.868 0.001 0.000 0.934 150 T HN 0.821 nan 8.240 nan 0.000 0.497 151 G N 1.356 110.204 108.800 0.080 0.000 2.155 151 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.257 151 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.257 151 G C -0.066 174.868 174.900 0.058 0.000 0.983 151 G CA 0.393 45.546 45.100 0.088 0.000 0.676 151 G HN 0.651 nan 8.290 nan 0.000 0.528 152 L N 0.156 121.405 121.223 0.044 0.000 2.301 152 L HA 0.389 4.728 4.340 -0.001 0.000 0.278 152 L C 1.633 178.524 176.870 0.035 0.000 1.022 152 L CA -0.956 53.905 54.840 0.034 0.000 0.854 152 L CB 1.148 43.221 42.059 0.022 0.000 1.226 152 L HN 0.051 nan 8.230 nan 0.000 0.429 153 K N 2.134 122.558 120.400 0.040 0.000 2.049 153 K HA -0.314 4.005 4.320 -0.001 0.000 0.219 153 K C 2.056 178.677 176.600 0.036 0.000 1.056 153 K CA 2.142 58.453 56.287 0.041 0.000 0.946 153 K CB -0.293 32.234 32.500 0.044 0.000 0.723 153 K HN 0.761 nan 8.250 nan 0.000 0.453 154 A N 1.018 123.860 122.820 0.037 0.000 1.917 154 A HA -0.168 4.152 4.320 -0.001 0.000 0.219 154 A C 2.434 180.039 177.584 0.036 0.000 1.182 154 A CA 2.027 54.087 52.037 0.039 0.000 0.633 154 A CB -0.749 18.278 19.000 0.046 0.000 0.819 154 A HN 0.130 nan 8.150 nan 0.000 0.448 155 V N 0.314 120.246 119.914 0.030 0.000 2.231 155 V HA -0.193 3.926 4.120 -0.001 0.000 0.240 155 V C 2.171 178.277 176.094 0.019 0.000 1.039 155 V CA 2.047 64.361 62.300 0.023 0.000 0.998 155 V CB -1.206 30.626 31.823 0.016 0.000 0.639 155 V HN 0.465 nan 8.190 nan 0.000 0.451 156 D N 0.958 121.369 120.400 0.019 0.000 2.133 156 D HA -0.209 4.430 4.640 -0.001 0.000 0.192 156 D C 2.117 178.429 176.300 0.019 0.000 1.001 156 D CA 2.007 56.017 54.000 0.017 0.000 0.844 156 D CB -0.530 40.286 40.800 0.026 0.000 0.944 156 D HN 0.443 nan 8.370 nan 0.000 0.447 157 A N -0.164 122.671 122.820 0.024 0.000 1.855 157 A HA -0.071 4.249 4.320 -0.001 0.000 0.215 157 A C 2.287 179.883 177.584 0.021 0.000 1.191 157 A CA 1.090 53.140 52.037 0.022 0.000 0.613 157 A CB -0.599 18.413 19.000 0.021 0.000 0.829 157 A HN 0.196 nan 8.150 nan 0.000 0.442 158 L N -0.780 120.458 121.223 0.025 0.000 2.187 158 L HA 0.080 4.419 4.340 -0.001 0.000 0.197 158 L C 0.661 177.549 176.870 0.029 0.000 1.090 158 L CA 0.741 55.599 54.840 0.031 0.000 0.781 158 L CB -0.120 41.963 42.059 0.041 0.000 0.956 158 L HN 0.289 nan 8.230 nan 0.000 0.463 159 V N -1.492 118.438 119.914 0.028 0.000 2.204 159 V HA 0.429 4.548 4.120 -0.001 0.000 0.264 159 V C -2.606 173.494 176.094 0.010 0.000 1.106 159 V CA -1.932 60.381 62.300 0.022 0.000 0.947 159 V CB -0.214 31.627 31.823 0.030 0.000 1.164 159 V HN -0.011 nan 8.190 nan 0.000 0.461 160 P HA 0.582 nan 4.420 nan 0.000 0.281 160 P C -0.623 176.664 177.300 -0.021 0.000 1.249 160 P CA -0.384 62.710 63.100 -0.009 0.000 0.810 160 P CB 1.945 33.640 31.700 -0.008 0.000 1.008 161 I N 1.050 121.596 120.570 -0.040 0.000 2.410 161 I HA 0.416 4.585 4.170 -0.001 0.000 0.286 161 I C 1.013 177.079 176.117 -0.085 0.000 1.009 161 I CA -0.506 60.762 61.300 -0.054 0.000 1.111 161 I CB 1.671 39.639 38.000 -0.053 0.000 1.262 161 I HN 0.320 nan 8.210 nan 0.000 0.443 162 G N 5.147 113.896 108.800 -0.085 0.000 2.537 162 G HA2 0.403 4.362 3.960 -0.001 0.000 0.273 162 G HA3 0.403 4.362 3.960 -0.001 0.000 0.273 162 G C -0.144 174.661 174.900 -0.159 0.000 1.189 162 G CA -0.745 44.280 45.100 -0.124 0.000 0.881 162 G HN 0.549 nan 8.290 nan 0.000 0.535 163 R N 0.074 120.434 120.500 -0.233 0.000 2.401 163 R HA 0.383 4.722 4.340 -0.001 0.000 0.299 163 R C 1.182 177.354 176.300 -0.213 0.000 1.064 163 R CA 0.754 56.689 56.100 -0.275 0.000 1.000 163 R CB 0.667 30.685 30.300 -0.470 0.000 0.973 163 R HN 1.054 nan 8.270 nan 0.000 0.438 164 G N 1.637 110.350 108.800 -0.144 0.000 2.258 164 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.233 164 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.233 164 G C 0.294 175.158 174.900 -0.059 0.000 1.006 164 G CA 0.160 45.208 45.100 -0.088 0.000 0.620 164 G HN 0.617 nan 8.290 nan 0.000 0.511 165 Q N 0.737 120.497 119.800 -0.068 0.000 2.454 165 Q HA 0.516 4.856 4.340 -0.001 0.000 0.247 165 Q C 0.078 176.056 176.000 -0.037 0.000 1.028 165 Q CA -0.101 55.674 55.803 -0.047 0.000 0.910 165 Q CB 0.262 28.971 28.738 -0.049 0.000 1.276 165 Q HN 0.510 nan 8.270 nan 0.000 0.489 166 R N 2.704 123.187 120.500 -0.027 0.000 2.363 166 R HA 0.236 4.575 4.340 -0.001 0.000 0.297 166 R C -1.315 174.971 176.300 -0.023 0.000 1.208 166 R CA -0.564 55.522 56.100 -0.023 0.000 1.121 166 R CB 1.116 31.399 30.300 -0.029 0.000 1.124 166 R HN 0.461 nan 8.270 nan 0.000 0.561 167 E N 2.609 122.797 120.200 -0.020 0.000 2.156 167 E HA 0.198 4.547 4.350 -0.001 0.000 0.279 167 E C -1.126 175.464 176.600 -0.016 0.000 0.965 167 E CA -0.837 55.553 56.400 -0.016 0.000 0.789 167 E CB 1.007 30.698 29.700 -0.016 0.000 1.098 167 E HN 0.322 nan 8.360 nan 0.000 0.397 168 L N 4.902 126.117 121.223 -0.013 0.000 2.395 168 L HA 0.493 4.832 4.340 -0.001 0.000 0.269 168 L C -0.819 176.047 176.870 -0.006 0.000 1.133 168 L CA 0.041 54.870 54.840 -0.017 0.000 0.812 168 L CB 0.704 42.753 42.059 -0.016 0.000 1.125 168 L HN 0.647 nan 8.230 nan 0.000 0.452 169 I N 6.390 126.948 120.570 -0.020 0.000 2.420 169 I HA 0.379 4.549 4.170 -0.001 0.000 0.282 169 I C -0.743 175.349 176.117 -0.041 0.000 1.019 169 I CA -0.112 61.171 61.300 -0.028 0.000 1.130 169 I CB 1.341 39.319 38.000 -0.037 0.000 1.262 169 I HN 0.513 nan 8.210 nan 0.000 0.454 170 I N 6.149 126.698 120.570 -0.034 0.000 2.466 170 I HA 0.747 4.917 4.170 -0.001 0.000 0.279 170 I C -0.261 175.735 176.117 -0.201 0.000 1.033 170 I CA 0.110 61.392 61.300 -0.030 0.000 1.123 170 I CB 0.822 38.884 38.000 0.102 0.000 1.237 170 I HN 0.615 nan 8.210 nan 0.000 0.460 171 G N 4.617 113.271 108.800 -0.243 0.000 2.766 171 G HA2 0.358 4.317 3.960 -0.001 0.000 0.288 171 G HA3 0.358 4.317 3.960 -0.001 0.000 0.288 171 G C -1.633 173.123 174.900 -0.241 0.000 1.408 171 G CA -0.566 44.289 45.100 -0.408 0.000 0.852 171 G HN 0.418 nan 8.290 nan 0.000 0.487 172 D N -0.123 120.132 120.400 -0.242 0.000 2.344 172 D HA 0.275 4.914 4.640 -0.001 0.000 0.244 172 D C 0.927 177.141 176.300 -0.144 0.000 1.134 172 D CA -0.215 53.705 54.000 -0.134 0.000 0.930 172 D CB 0.973 41.715 40.800 -0.096 0.000 1.175 172 D HN 0.428 nan 8.370 nan 0.000 0.437 173 R N 1.309 121.756 120.500 -0.089 0.000 2.583 173 R HA -0.116 4.223 4.340 -0.001 0.000 0.274 173 R C -0.261 175.967 176.300 -0.119 0.000 0.998 173 R CA 0.411 56.462 56.100 -0.082 0.000 1.081 173 R CB 0.135 30.414 30.300 -0.035 0.000 0.940 173 R HN 0.294 nan 8.270 nan 0.000 0.413 174 Q N 1.222 120.936 119.800 -0.143 0.000 2.479 174 Q HA -0.120 4.219 4.340 -0.001 0.000 0.282 174 Q C 0.044 175.745 176.000 -0.498 0.000 1.279 174 Q CA 1.616 57.309 55.803 -0.184 0.000 0.815 174 Q CB -2.082 26.621 28.738 -0.059 0.000 1.204 174 Q HN 0.973 nan 8.270 nan 0.000 0.444 175 T N -5.046 109.148 114.554 -0.600 0.000 3.003 175 T HA 0.455 4.804 4.350 -0.001 0.000 0.261 175 T C 1.068 175.224 174.700 -0.907 0.000 1.003 175 T CA 0.656 62.152 62.100 -1.006 0.000 0.917 175 T CB 1.107 69.645 68.868 -0.549 0.000 1.084 175 T HN 0.989 nan 8.240 nan 0.000 0.522 176 G N 2.114 110.625 108.800 -0.483 0.000 2.255 176 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.239 176 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.239 176 G C 0.571 175.391 174.900 -0.135 0.000 1.083 176 G CA 0.254 45.245 45.100 -0.181 0.000 0.826 176 G HN 0.479 nan 8.290 nan 0.000 0.493 177 K N -0.831 119.482 120.400 -0.144 0.000 2.076 177 K HA -0.009 4.310 4.320 -0.001 0.000 0.204 177 K C 2.586 179.158 176.600 -0.047 0.000 1.051 177 K CA 1.645 57.873 56.287 -0.097 0.000 0.949 177 K CB -0.136 32.302 32.500 -0.103 0.000 0.726 177 K HN 0.357 nan 8.250 nan 0.000 0.443 178 T N 1.413 115.950 114.554 -0.029 0.000 2.770 178 T HA -0.093 4.256 4.350 -0.001 0.000 0.263 178 T C 2.035 176.721 174.700 -0.023 0.000 1.039 178 T CA 1.186 63.295 62.100 0.014 0.000 1.142 178 T CB -0.289 68.599 68.868 0.034 0.000 0.868 178 T HN 0.275 nan 8.240 nan 0.000 0.435 179 A N 1.459 124.244 122.820 -0.058 0.000 1.881 179 A HA -0.178 4.141 4.320 -0.001 0.000 0.219 179 A C 2.589 180.118 177.584 -0.090 0.000 1.215 179 A CA 2.160 54.134 52.037 -0.105 0.000 0.648 179 A CB -1.399 17.547 19.000 -0.090 0.000 0.832 179 A HN 0.339 nan 8.150 nan 0.000 0.455 180 V N -0.390 119.491 119.914 -0.055 0.000 2.252 180 V HA -0.299 3.821 4.120 -0.001 0.000 0.249 180 V C 3.070 179.151 176.094 -0.023 0.000 1.056 180 V CA 2.382 64.660 62.300 -0.035 0.000 1.022 180 V CB -1.396 30.411 31.823 -0.027 0.000 0.641 180 V HN 0.704 nan 8.190 nan 0.000 0.445 181 A N -0.179 122.637 122.820 -0.007 0.000 1.858 181 A HA -0.205 4.114 4.320 -0.001 0.000 0.216 181 A C 2.189 179.787 177.584 0.023 0.000 1.190 181 A CA 2.157 54.208 52.037 0.022 0.000 0.617 181 A CB -0.715 18.323 19.000 0.064 0.000 0.827 181 A HN 0.492 nan 8.150 nan 0.000 0.443 182 L N 0.368 121.590 121.223 -0.001 0.000 2.013 182 L HA -0.247 4.092 4.340 -0.001 0.000 0.212 182 L C 1.689 178.536 176.870 -0.039 0.000 1.073 182 L CA 2.973 57.786 54.840 -0.044 0.000 0.753 182 L CB -0.821 41.185 42.059 -0.089 0.000 0.890 182 L HN 0.396 nan 8.230 nan 0.000 0.432 183 D N -0.938 119.427 120.400 -0.059 0.000 2.149 183 D HA -0.174 4.465 4.640 -0.001 0.000 0.198 183 D C 2.089 178.399 176.300 0.017 0.000 0.990 183 D CA 1.807 55.782 54.000 -0.041 0.000 0.839 183 D CB -0.303 40.455 40.800 -0.071 0.000 0.948 183 D HN 0.462 nan 8.370 nan 0.000 0.460 184 T N 0.328 114.893 114.554 0.017 0.000 2.737 184 T HA -0.079 4.271 4.350 -0.001 0.000 0.265 184 T C 2.110 176.850 174.700 0.065 0.000 1.038 184 T CA 0.660 62.779 62.100 0.033 0.000 1.144 184 T CB -0.307 68.566 68.868 0.008 0.000 0.866 184 T HN 0.171 nan 8.240 nan 0.000 0.434 185 I N 0.930 121.542 120.570 0.070 0.000 2.423 185 I HA -0.142 4.027 4.170 -0.001 0.000 0.254 185 I C 2.151 178.386 176.117 0.196 0.000 1.151 185 I CA 1.058 62.436 61.300 0.129 0.000 1.421 185 I CB -0.530 37.520 38.000 0.083 0.000 1.079 185 I HN 0.197 nan 8.210 nan 0.000 0.431 186 L N 0.021 121.318 121.223 0.124 0.000 2.023 186 L HA -0.165 4.174 4.340 -0.001 0.000 0.205 186 L C 2.311 179.308 176.870 0.212 0.000 1.073 186 L CA 1.492 56.421 54.840 0.149 0.000 0.745 186 L CB -0.762 41.343 42.059 0.076 0.000 0.900 186 L HN 0.240 nan 8.230 nan 0.000 0.435 187 N N -0.310 118.496 118.700 0.177 0.000 2.258 187 N HA -0.221 4.518 4.740 -0.001 0.000 0.187 187 N C 1.839 177.544 175.510 0.324 0.000 1.012 187 N CA 0.910 54.091 53.050 0.217 0.000 0.870 187 N CB 0.080 38.689 38.487 0.204 0.000 0.977 187 N HN 0.203 nan 8.380 nan 0.000 0.434 188 Q N 0.272 120.231 119.800 0.265 0.000 2.439 188 Q HA -0.114 4.225 4.340 -0.001 0.000 0.211 188 Q C 1.583 177.674 176.000 0.151 0.000 0.978 188 Q CA 0.650 56.589 55.803 0.225 0.000 0.897 188 Q CB -0.145 28.523 28.738 -0.118 0.000 0.956 188 Q HN 0.511 nan 8.270 nan 0.000 0.483 189 K N 0.859 121.370 120.400 0.186 0.000 2.152 189 K HA -0.127 4.193 4.320 -0.001 0.000 0.206 189 K C 1.912 178.516 176.600 0.006 0.000 1.048 189 K CA 0.805 57.194 56.287 0.170 0.000 0.933 189 K CB 0.114 32.754 32.500 0.234 0.000 0.721 189 K HN 0.082 nan 8.250 nan 0.000 0.447 190 R N -0.681 119.741 120.500 -0.130 0.000 2.117 190 R HA -0.168 4.171 4.340 -0.001 0.000 0.243 190 R C 1.957 177.944 176.300 -0.523 0.000 1.143 190 R CA 1.937 57.735 56.100 -0.504 0.000 0.968 190 R CB -0.087 29.511 30.300 -1.170 0.000 0.863 190 R HN 0.426 nan 8.270 nan 0.000 0.444 191 W N -0.617 120.628 121.300 -0.092 0.000 2.699 191 W HA 0.158 4.817 4.660 -0.002 0.000 0.267 191 W C 1.429 177.856 176.519 -0.154 0.000 1.182 191 W CA -0.327 56.949 57.345 -0.115 0.000 1.453 191 W CB -0.491 28.889 29.460 -0.133 0.000 1.054 191 W HN 0.073 nan 8.180 nan 0.000 0.595 192 N N 1.375 120.070 118.700 -0.009 0.000 2.573 192 N HA -0.112 4.627 4.740 -0.001 0.000 0.187 192 N C 0.939 176.439 175.510 -0.016 0.000 1.107 192 N CA 0.825 53.781 53.050 -0.157 0.000 0.918 192 N CB -0.228 37.925 38.487 -0.556 0.000 0.966 192 N HN 0.238 nan 8.380 nan 0.000 0.448 193 N N 0.041 118.746 118.700 0.008 0.000 2.173 193 N HA -0.009 4.730 4.740 -0.001 0.000 0.184 193 N C 1.108 176.626 175.510 0.014 0.000 1.025 193 N CA 0.772 53.836 53.050 0.023 0.000 0.852 193 N CB -0.158 38.327 38.487 -0.004 0.000 0.998 193 N HN 0.107 nan 8.380 nan 0.000 0.427 194 G N -1.032 107.767 108.800 -0.002 0.000 2.588 194 G HA2 0.187 4.146 3.960 -0.001 0.000 0.281 194 G HA3 0.187 4.146 3.960 -0.001 0.000 0.281 194 G C 0.688 175.601 174.900 0.022 0.000 1.236 194 G CA -0.328 44.773 45.100 0.001 0.000 0.969 194 G HN 0.147 nan 8.290 nan 0.000 0.504 195 S N -0.604 115.108 115.700 0.020 0.000 2.400 195 S HA -0.113 4.356 4.470 -0.001 0.000 0.232 195 S C 1.079 175.700 174.600 0.035 0.000 1.025 195 S CA 0.768 58.985 58.200 0.028 0.000 0.993 195 S CB -0.168 63.045 63.200 0.020 0.000 0.808 195 S HN 0.672 nan 8.310 nan 0.000 0.478 196 D N 1.833 122.256 120.400 0.039 0.000 2.368 196 D HA -0.022 4.617 4.640 -0.001 0.000 0.268 196 D C 0.678 177.001 176.300 0.039 0.000 1.298 196 D CA 0.150 54.178 54.000 0.046 0.000 0.938 196 D CB 0.500 41.343 40.800 0.071 0.000 1.101 196 D HN 0.082 nan 8.370 nan 0.000 0.509 197 E N 1.451 121.669 120.200 0.031 0.000 2.274 197 E HA -0.100 4.249 4.350 -0.001 0.000 0.194 197 E C 1.796 178.386 176.600 -0.018 0.000 0.996 197 E CA 0.522 56.936 56.400 0.023 0.000 0.840 197 E CB 0.175 29.892 29.700 0.029 0.000 0.772 197 E HN 0.540 nan 8.360 nan 0.000 0.491 198 S N -0.601 115.092 115.700 -0.012 0.000 2.492 198 S HA 0.135 4.604 4.470 -0.001 0.000 0.218 198 S C 1.592 176.209 174.600 0.029 0.000 1.016 198 S CA -0.117 58.065 58.200 -0.030 0.000 0.916 198 S CB 0.224 63.432 63.200 0.014 0.000 0.791 198 S HN -0.081 nan 8.310 nan 0.000 0.513 199 K N 1.546 121.964 120.400 0.030 0.000 2.525 199 K HA 0.252 4.571 4.320 -0.001 0.000 0.192 199 K C -0.065 176.498 176.600 -0.061 0.000 1.029 199 K CA 0.318 56.612 56.287 0.010 0.000 1.029 199 K CB -0.026 32.584 32.500 0.184 0.000 0.814 199 K HN 0.461 nan 8.250 nan 0.000 0.503 200 K N 0.992 121.338 120.400 -0.089 0.000 2.234 200 K HA 0.214 4.533 4.320 -0.001 0.000 0.282 200 K C -0.645 175.753 176.600 -0.337 0.000 1.039 200 K CA -0.501 55.631 56.287 -0.258 0.000 0.928 200 K CB 0.946 33.238 32.500 -0.347 0.000 1.039 200 K HN -0.178 nan 8.250 nan 0.000 0.470 201 L N 4.600 125.557 121.223 -0.444 0.000 2.372 201 L HA 0.343 4.682 4.340 -0.001 0.000 0.273 201 L C -1.492 175.102 176.870 -0.461 0.000 0.989 201 L CA -0.462 54.166 54.840 -0.352 0.000 0.841 201 L CB 0.587 42.496 42.059 -0.250 0.000 1.225 201 L HN 0.459 nan 8.230 nan 0.000 0.414 202 Y N 2.854 123.040 120.300 -0.189 0.000 2.301 202 Y HA 0.459 5.009 4.550 -0.001 0.000 0.328 202 Y C 0.477 176.277 175.900 -0.167 0.000 1.242 202 Y CA -0.248 57.727 58.100 -0.207 0.000 1.323 202 Y CB 0.829 39.020 38.460 -0.449 0.000 1.266 202 Y HN 0.469 nan 8.280 nan 0.000 0.527 203 C N 2.187 121.568 119.300 0.135 0.000 2.351 203 C HA 0.687 5.146 4.460 -0.001 0.000 0.326 203 C C -0.487 174.519 174.990 0.027 0.000 1.272 203 C CA -1.080 57.987 59.018 0.082 0.000 1.650 203 C CB 0.425 28.272 27.740 0.179 0.000 2.257 203 C HN 0.537 nan 8.230 nan 0.000 0.505 204 V N 3.604 123.501 119.914 -0.028 0.000 2.407 204 V HA 0.279 4.399 4.120 -0.001 0.000 0.291 204 V C -0.952 175.109 176.094 -0.054 0.000 1.018 204 V CA -0.559 61.711 62.300 -0.049 0.000 0.842 204 V CB 0.941 32.698 31.823 -0.110 0.000 0.996 204 V HN 0.807 nan 8.190 nan 0.000 0.426 205 Y N 5.413 125.644 120.300 -0.114 0.000 2.417 205 Y HA 0.596 5.145 4.550 -0.002 0.000 0.336 205 Y C 0.082 175.911 175.900 -0.118 0.000 0.961 205 Y CA -0.712 57.317 58.100 -0.120 0.000 1.215 205 Y CB 1.281 39.695 38.460 -0.077 0.000 1.120 205 Y HN 0.532 nan 8.280 nan 0.000 0.499 206 V N 3.913 123.535 119.914 -0.487 0.000 2.583 206 V HA 0.590 4.709 4.120 -0.001 0.000 0.287 206 V C 0.407 176.190 176.094 -0.518 0.000 1.051 206 V CA -0.304 61.775 62.300 -0.369 0.000 1.010 206 V CB 1.015 32.650 31.823 -0.314 0.000 0.988 206 V HN 0.887 nan 8.190 nan 0.000 0.478 207 A N 4.130 126.843 122.820 -0.178 0.000 3.165 207 A HA 0.614 4.933 4.320 -0.001 0.000 0.331 207 A C -0.258 177.320 177.584 -0.010 0.000 1.034 207 A CA -0.388 51.623 52.037 -0.042 0.000 0.906 207 A CB 0.111 19.227 19.000 0.194 0.000 1.054 207 A HN 0.709 nan 8.150 nan 0.000 0.484 208 V N 1.274 121.160 119.914 -0.048 0.000 2.415 208 V HA 0.456 4.575 4.120 -0.001 0.000 0.267 208 V C 1.506 177.618 176.094 0.030 0.000 1.042 208 V CA 1.226 63.526 62.300 0.000 0.000 1.000 208 V CB 0.071 31.889 31.823 -0.009 0.000 1.015 208 V HN 1.485 nan 8.190 nan 0.000 0.478 209 G N 3.571 112.401 108.800 0.051 0.000 2.162 209 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.260 209 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.260 209 G C 0.235 175.167 174.900 0.053 0.000 0.976 209 G CA 0.215 45.350 45.100 0.058 0.000 0.655 209 G HN 0.620 nan 8.290 nan 0.000 0.533 210 Q N -0.364 119.469 119.800 0.054 0.000 2.414 210 Q HA 0.504 4.843 4.340 -0.001 0.000 0.206 210 Q C 0.416 176.448 176.000 0.053 0.000 1.058 210 Q CA -0.062 55.776 55.803 0.059 0.000 1.025 210 Q CB 0.729 29.516 28.738 0.082 0.000 1.196 210 Q HN 0.326 nan 8.270 nan 0.000 0.586 211 K N 0.418 120.847 120.400 0.049 0.000 2.118 211 K HA 0.166 4.485 4.320 -0.001 0.000 0.264 211 K C 1.197 177.820 176.600 0.039 0.000 1.000 211 K CA -0.484 55.828 56.287 0.041 0.000 0.929 211 K CB 0.829 33.349 32.500 0.034 0.000 1.021 211 K HN 0.344 nan 8.250 nan 0.000 0.463 212 R N 0.481 121.001 120.500 0.033 0.000 2.096 212 R HA -0.124 4.216 4.340 -0.001 0.000 0.235 212 R C 2.011 178.325 176.300 0.023 0.000 1.127 212 R CA 1.886 58.004 56.100 0.029 0.000 0.968 212 R CB -0.487 29.828 30.300 0.025 0.000 0.861 212 R HN 0.787 nan 8.270 nan 0.000 0.440 213 S N 0.105 115.818 115.700 0.021 0.000 2.356 213 S HA -0.114 4.355 4.470 -0.001 0.000 0.223 213 S C 2.042 176.651 174.600 0.015 0.000 1.032 213 S CA 1.758 59.968 58.200 0.016 0.000 1.005 213 S CB -0.766 62.445 63.200 0.017 0.000 0.867 213 S HN 0.222 nan 8.310 nan 0.000 0.449 214 T N 2.600 117.167 114.554 0.022 0.000 2.720 214 T HA -0.054 4.295 4.350 -0.001 0.000 0.268 214 T C 1.946 176.652 174.700 0.009 0.000 1.037 214 T CA 1.517 63.629 62.100 0.021 0.000 1.144 214 T CB -0.717 68.172 68.868 0.035 0.000 0.864 214 T HN 0.314 nan 8.240 nan 0.000 0.444 215 V N 1.787 121.712 119.914 0.019 0.000 2.358 215 V HA -0.106 4.014 4.120 -0.001 0.000 0.246 215 V C 2.951 179.035 176.094 -0.017 0.000 1.047 215 V CA 1.379 63.684 62.300 0.008 0.000 1.035 215 V CB -1.436 30.411 31.823 0.041 0.000 0.658 215 V HN 0.535 nan 8.190 nan 0.000 0.452 216 A N 0.034 122.850 122.820 -0.006 0.000 1.859 216 A HA -0.371 3.948 4.320 -0.001 0.000 0.218 216 A C 2.187 179.758 177.584 -0.023 0.000 1.209 216 A CA 2.526 54.556 52.037 -0.012 0.000 0.639 216 A CB -0.750 18.247 19.000 -0.004 0.000 0.835 216 A HN 0.602 nan 8.150 nan 0.000 0.450 217 Q N -0.781 119.009 119.800 -0.018 0.000 2.170 217 Q HA -0.035 4.304 4.340 -0.001 0.000 0.203 217 Q C 2.039 178.015 176.000 -0.039 0.000 0.976 217 Q CA 1.287 57.078 55.803 -0.020 0.000 0.858 217 Q CB -0.278 28.456 28.738 -0.006 0.000 0.907 217 Q HN 0.678 nan 8.270 nan 0.000 0.433 218 L N -0.543 120.642 121.223 -0.063 0.000 2.156 218 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 218 L C 2.037 178.822 176.870 -0.141 0.000 1.095 218 L CA 0.485 55.250 54.840 -0.126 0.000 0.770 218 L CB 0.024 41.959 42.059 -0.206 0.000 0.914 218 L HN 0.119 nan 8.230 nan 0.000 0.439 219 V N -0.718 119.136 119.914 -0.100 0.000 2.323 219 V HA -0.292 3.827 4.120 -0.001 0.000 0.244 219 V C 2.349 178.407 176.094 -0.061 0.000 1.041 219 V CA 1.672 63.921 62.300 -0.084 0.000 1.025 219 V CB -0.188 31.601 31.823 -0.056 0.000 0.656 219 V HN 0.464 nan 8.190 nan 0.000 0.451 220 Q N 0.613 120.387 119.800 -0.044 0.000 2.062 220 Q HA -0.248 4.091 4.340 -0.001 0.000 0.209 220 Q C 2.058 178.050 176.000 -0.014 0.000 0.996 220 Q CA 3.011 58.797 55.803 -0.028 0.000 0.859 220 Q CB -0.722 28.002 28.738 -0.023 0.000 0.920 220 Q HN 0.651 nan 8.270 nan 0.000 0.415 221 T N 0.368 114.911 114.554 -0.019 0.000 3.035 221 T HA 0.008 4.357 4.350 -0.001 0.000 0.268 221 T C 1.575 176.283 174.700 0.012 0.000 1.109 221 T CA 0.827 62.934 62.100 0.012 0.000 1.119 221 T CB -0.037 68.812 68.868 -0.032 0.000 0.900 221 T HN 0.208 nan 8.240 nan 0.000 0.503 222 L N 0.171 121.364 121.223 -0.051 0.000 2.270 222 L HA 0.114 4.453 4.340 -0.001 0.000 0.210 222 L C 2.609 179.451 176.870 -0.047 0.000 1.104 222 L CA 1.042 55.837 54.840 -0.076 0.000 0.804 222 L CB -0.191 41.788 42.059 -0.134 0.000 0.937 222 L HN 0.249 nan 8.230 nan 0.000 0.450 223 E N -0.410 119.771 120.200 -0.032 0.000 2.170 223 E HA -0.212 4.137 4.350 -0.001 0.000 0.191 223 E C 2.010 178.605 176.600 -0.009 0.000 0.981 223 E CA 0.364 56.745 56.400 -0.032 0.000 0.830 223 E CB 0.211 29.889 29.700 -0.037 0.000 0.775 223 E HN 0.344 nan 8.360 nan 0.000 0.470 224 Q N -0.300 119.518 119.800 0.031 0.000 2.291 224 Q HA -0.163 4.176 4.340 -0.001 0.000 0.206 224 Q C 0.582 176.527 176.000 -0.092 0.000 0.976 224 Q CA 1.187 56.987 55.803 -0.005 0.000 0.875 224 Q CB 0.149 28.901 28.738 0.023 0.000 0.927 224 Q HN 0.339 nan 8.270 nan 0.000 0.450 225 H N -1.127 117.901 119.070 -0.070 0.000 2.672 225 H HA 0.145 4.700 4.556 -0.002 0.000 0.277 225 H C -0.043 175.250 175.328 -0.057 0.000 1.074 225 H CA 0.332 56.351 56.048 -0.048 0.000 1.173 225 H CB 0.824 30.574 29.762 -0.020 0.000 1.558 225 H HN 0.222 nan 8.280 nan 0.000 0.539 226 D N -0.407 119.997 120.400 0.006 0.000 2.705 226 D HA -0.240 4.399 4.640 -0.001 0.000 0.187 226 D C 1.550 177.756 176.300 -0.156 0.000 1.015 226 D CA 0.988 54.960 54.000 -0.048 0.000 1.030 226 D CB -1.097 39.695 40.800 -0.013 0.000 1.100 226 D HN 0.450 nan 8.370 nan 0.000 0.439 227 A N -0.072 122.608 122.820 -0.233 0.000 2.272 227 A HA -0.098 4.221 4.320 -0.001 0.000 0.213 227 A C 2.033 179.188 177.584 -0.715 0.000 1.183 227 A CA 1.833 53.446 52.037 -0.707 0.000 0.719 227 A CB -0.395 18.344 19.000 -0.435 0.000 0.771 227 A HN 0.393 nan 8.150 nan 0.000 0.484 228 M N 1.039 120.439 119.600 -0.334 0.000 2.067 228 M HA -0.180 4.299 4.480 -0.001 0.000 0.260 228 M C 2.091 178.289 176.300 -0.171 0.000 1.069 228 M CA 2.420 57.595 55.300 -0.209 0.000 1.117 228 M CB -0.531 32.000 32.600 -0.114 0.000 1.334 228 M HN 0.543 nan 8.290 nan 0.000 0.407 229 K N -0.328 119.994 120.400 -0.130 0.000 2.163 229 K HA -0.251 4.068 4.320 -0.001 0.000 0.210 229 K C 1.152 177.808 176.600 0.093 0.000 1.048 229 K CA 2.356 58.635 56.287 -0.013 0.000 0.928 229 K CB -1.358 31.160 32.500 0.029 0.000 0.716 229 K HN 0.668 nan 8.250 nan 0.000 0.459 230 Y N 0.367 120.729 120.300 0.103 0.000 2.555 230 Y HA 0.413 4.962 4.550 -0.002 0.000 0.259 230 Y C -0.451 175.542 175.900 0.155 0.000 1.179 230 Y CA -0.995 57.213 58.100 0.180 0.000 1.230 230 Y CB -0.161 38.404 38.460 0.176 0.000 1.146 230 Y HN 0.136 nan 8.280 nan 0.000 0.526 231 S N 0.656 116.426 115.700 0.116 0.000 2.536 231 S HA 0.782 5.251 4.470 -0.001 0.000 0.287 231 S C -0.935 173.687 174.600 0.037 0.000 1.101 231 S CA -0.766 57.489 58.200 0.092 0.000 0.950 231 S CB 1.543 64.748 63.200 0.008 0.000 1.056 231 S HN 0.277 nan 8.310 nan 0.000 0.481 232 I N 1.946 122.538 120.570 0.038 0.000 2.412 232 I HA 0.524 4.693 4.170 -0.001 0.000 0.296 232 I C -1.049 175.090 176.117 0.035 0.000 0.987 232 I CA -0.976 60.339 61.300 0.025 0.000 1.180 232 I CB 1.379 39.395 38.000 0.026 0.000 1.340 232 I HN 0.511 nan 8.210 nan 0.000 0.455 233 I N 6.180 126.771 120.570 0.035 0.000 2.389 233 I HA 0.350 4.519 4.170 -0.001 0.000 0.288 233 I C -0.465 175.679 176.117 0.046 0.000 0.999 233 I CA -0.441 60.902 61.300 0.070 0.000 1.129 233 I CB 1.918 39.959 38.000 0.068 0.000 1.288 233 I HN 0.219 nan 8.210 nan 0.000 0.444 234 V N 5.417 125.354 119.914 0.038 0.000 2.417 234 V HA 0.901 5.021 4.120 -0.001 0.000 0.291 234 V C -0.031 176.078 176.094 0.025 0.000 1.024 234 V CA -0.638 61.671 62.300 0.014 0.000 0.861 234 V CB 1.308 33.123 31.823 -0.015 0.000 0.985 234 V HN 0.795 nan 8.190 nan 0.000 0.436 235 A N 3.654 126.494 122.820 0.033 0.000 2.422 235 A HA 0.917 5.236 4.320 -0.001 0.000 0.302 235 A C -0.250 177.357 177.584 0.039 0.000 1.041 235 A CA -0.277 51.787 52.037 0.045 0.000 0.708 235 A CB 1.893 20.935 19.000 0.070 0.000 1.257 235 A HN 1.489 nan 8.150 nan 0.000 0.414 236 A N 2.503 125.349 122.820 0.043 0.000 2.978 236 A HA 0.606 4.926 4.320 -0.001 0.000 0.341 236 A C 0.495 178.115 177.584 0.060 0.000 1.105 236 A CA 0.150 52.221 52.037 0.055 0.000 0.819 236 A CB -0.663 18.377 19.000 0.068 0.000 1.080 236 A HN 1.477 nan 8.150 nan 0.000 0.476 237 T N -1.302 113.285 114.554 0.056 0.000 2.734 237 T HA 0.384 4.733 4.350 -0.001 0.000 0.314 237 T C 1.497 176.231 174.700 0.057 0.000 1.057 237 T CA 0.111 62.244 62.100 0.055 0.000 1.047 237 T CB 0.839 69.736 68.868 0.048 0.000 0.991 237 T HN 1.125 nan 8.240 nan 0.000 0.540 238 A N 0.738 123.589 122.820 0.052 0.000 2.186 238 A HA -0.033 4.286 4.320 -0.001 0.000 0.219 238 A C 2.497 180.111 177.584 0.050 0.000 1.159 238 A CA 1.590 53.659 52.037 0.052 0.000 0.680 238 A CB -1.294 17.734 19.000 0.046 0.000 0.787 238 A HN 1.046 nan 8.150 nan 0.000 0.467 239 S N -0.668 115.060 115.700 0.047 0.000 2.421 239 S HA 0.038 4.508 4.470 -0.001 0.000 0.224 239 S C 0.749 175.380 174.600 0.051 0.000 1.035 239 S CA 0.124 58.350 58.200 0.043 0.000 0.953 239 S CB -0.242 62.980 63.200 0.037 0.000 0.810 239 S HN 0.617 nan 8.310 nan 0.000 0.497 240 E N 1.437 121.673 120.200 0.060 0.000 2.428 240 E HA 0.441 4.790 4.350 -0.001 0.000 0.257 240 E C 0.189 176.843 176.600 0.089 0.000 1.197 240 E CA -0.030 56.415 56.400 0.074 0.000 0.974 240 E CB 0.288 30.036 29.700 0.081 0.000 0.976 240 E HN 0.566 nan 8.360 nan 0.000 0.463 241 A N 1.286 124.171 122.820 0.109 0.000 2.498 241 A HA 0.240 4.559 4.320 -0.001 0.000 0.239 241 A C 1.245 178.918 177.584 0.148 0.000 1.068 241 A CA 0.563 52.671 52.037 0.119 0.000 0.766 241 A CB 0.322 19.407 19.000 0.143 0.000 1.003 241 A HN 0.758 nan 8.150 nan 0.000 0.497 242 A N 3.618 126.508 122.820 0.117 0.000 1.896 242 A HA -0.144 4.175 4.320 -0.001 0.000 0.220 242 A C -0.268 177.449 177.584 0.222 0.000 1.206 242 A CA 2.341 54.460 52.037 0.137 0.000 0.647 242 A CB -1.714 17.331 19.000 0.074 0.000 0.828 242 A HN 0.653 nan 8.150 nan 0.000 0.455 243 P HA 0.053 nan 4.420 nan 0.000 0.236 243 P C 1.218 178.877 177.300 0.599 0.000 1.177 243 P CA 0.439 63.757 63.100 0.364 0.000 0.773 243 P CB -0.028 31.732 31.700 0.101 0.000 0.878 244 L N -0.623 120.865 121.223 0.442 0.000 2.034 244 L HA -0.107 4.232 4.340 -0.001 0.000 0.203 244 L C 2.550 179.573 176.870 0.255 0.000 1.074 244 L CA 1.392 56.427 54.840 0.324 0.000 0.748 244 L CB -1.239 40.950 42.059 0.216 0.000 0.905 244 L HN -0.111 nan 8.230 nan 0.000 0.439 245 Q N -0.938 118.997 119.800 0.225 0.000 2.308 245 Q HA -0.280 4.059 4.340 -0.001 0.000 0.209 245 Q C 1.903 178.042 176.000 0.232 0.000 0.985 245 Q CA 2.059 57.975 55.803 0.188 0.000 0.881 245 Q CB -0.210 28.629 28.738 0.168 0.000 0.917 245 Q HN 0.567 nan 8.270 nan 0.000 0.443 246 Y N -0.120 120.301 120.300 0.200 0.000 2.301 246 Y HA -0.045 4.504 4.550 -0.001 0.000 0.295 246 Y C 1.760 177.842 175.900 0.303 0.000 1.119 246 Y CA 0.578 58.822 58.100 0.240 0.000 1.162 246 Y CB -0.021 38.617 38.460 0.297 0.000 1.046 246 Y HN 0.083 nan 8.280 nan 0.000 0.538 247 L N 0.922 122.271 121.223 0.210 0.000 2.395 247 L HA 0.236 4.575 4.340 -0.001 0.000 0.218 247 L C 2.214 179.154 176.870 0.116 0.000 1.130 247 L CA 1.520 56.450 54.840 0.150 0.000 0.826 247 L CB -0.900 41.347 42.059 0.313 0.000 0.941 247 L HN 0.289 nan 8.230 nan 0.000 0.451 248 A N 0.755 123.617 122.820 0.071 0.000 1.865 248 A HA -0.087 4.232 4.320 -0.001 0.000 0.217 248 A C 0.052 177.635 177.584 -0.002 0.000 1.191 248 A CA 1.918 53.972 52.037 0.029 0.000 0.623 248 A CB -1.973 17.044 19.000 0.027 0.000 0.826 248 A HN 0.437 nan 8.150 nan 0.000 0.444 249 P HA -0.108 nan 4.420 nan 0.000 0.217 249 P C 1.004 178.270 177.300 -0.057 0.000 1.150 249 P CA 0.965 64.047 63.100 -0.031 0.000 0.832 249 P CB -0.168 31.403 31.700 -0.216 0.000 0.787 250 F N 0.173 120.097 119.950 -0.044 0.000 2.102 250 F HA -0.189 4.337 4.527 -0.001 0.000 0.298 250 F C 2.426 178.217 175.800 -0.015 0.000 1.105 250 F CA 2.061 60.024 58.000 -0.062 0.000 1.239 250 F CB -2.001 36.910 39.000 -0.148 0.000 0.991 250 F HN -0.020 nan 8.300 nan 0.000 0.474 251 T N -1.951 112.704 114.554 0.169 0.000 2.857 251 T HA -0.046 4.303 4.350 -0.001 0.000 0.266 251 T C 2.180 176.918 174.700 0.064 0.000 1.048 251 T CA 0.860 63.015 62.100 0.091 0.000 1.139 251 T CB -0.927 67.966 68.868 0.041 0.000 0.874 251 T HN 0.200 nan 8.240 nan 0.000 0.455 252 A N 2.112 124.955 122.820 0.039 0.000 1.902 252 A HA 0.256 4.575 4.320 -0.001 0.000 0.217 252 A C 2.833 180.437 177.584 0.033 0.000 1.181 252 A CA 1.918 53.955 52.037 0.000 0.000 0.623 252 A CB -1.447 17.502 19.000 -0.085 0.000 0.818 252 A HN 0.705 nan 8.150 nan 0.000 0.443 253 A N -0.100 122.771 122.820 0.085 0.000 1.892 253 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 253 A C 2.455 180.117 177.584 0.130 0.000 1.188 253 A CA 2.408 54.522 52.037 0.128 0.000 0.631 253 A CB -1.004 18.091 19.000 0.160 0.000 0.822 253 A HN 0.537 nan 8.150 nan 0.000 0.447 254 S N -0.223 115.553 115.700 0.128 0.000 2.368 254 S HA -0.094 4.375 4.470 -0.001 0.000 0.224 254 S C 1.810 176.506 174.600 0.160 0.000 1.029 254 S CA 1.352 59.630 58.200 0.131 0.000 0.988 254 S CB -0.519 62.744 63.200 0.105 0.000 0.838 254 S HN 0.503 nan 8.310 nan 0.000 0.462 255 I N 1.924 122.576 120.570 0.137 0.000 2.127 255 I HA -0.194 3.975 4.170 -0.001 0.000 0.241 255 I C 2.728 179.042 176.117 0.328 0.000 1.075 255 I CA 1.442 62.840 61.300 0.165 0.000 1.334 255 I CB -0.790 37.268 38.000 0.097 0.000 1.040 255 I HN 0.404 nan 8.210 nan 0.000 0.405 256 G N -0.467 108.490 108.800 0.261 0.000 2.422 256 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.218 256 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.218 256 G C 1.514 176.668 174.900 0.424 0.000 1.146 256 G CA 0.819 46.109 45.100 0.317 0.000 0.769 256 G HN 0.396 nan 8.290 nan 0.000 0.547 257 E N -0.581 119.788 120.200 0.281 0.000 2.171 257 E HA -0.205 4.144 4.350 -0.001 0.000 0.197 257 E C 1.905 178.641 176.600 0.226 0.000 0.997 257 E CA 1.095 57.624 56.400 0.215 0.000 0.810 257 E CB -0.304 29.486 29.700 0.149 0.000 0.738 257 E HN 0.648 nan 8.360 nan 0.000 0.467 258 W N -0.154 121.189 121.300 0.071 0.000 2.321 258 W HA -0.259 4.400 4.660 -0.002 0.000 0.306 258 W C 1.405 177.840 176.519 -0.140 0.000 1.217 258 W CA 1.945 59.233 57.345 -0.094 0.000 1.257 258 W CB -0.370 28.938 29.460 -0.253 0.000 1.145 258 W HN 0.094 nan 8.180 nan 0.000 0.509 259 F N 0.030 120.147 119.950 0.278 0.000 2.113 259 F HA -0.092 4.434 4.527 -0.001 0.000 0.297 259 F C 2.730 178.510 175.800 -0.033 0.000 1.103 259 F CA 1.912 59.988 58.000 0.126 0.000 1.248 259 F CB -1.238 37.932 39.000 0.283 0.000 0.999 259 F HN -0.256 nan 8.300 nan 0.000 0.475 260 R N 0.663 121.307 120.500 0.240 0.000 2.170 260 R HA -0.184 4.155 4.340 -0.001 0.000 0.242 260 R C 1.248 177.547 176.300 -0.001 0.000 1.145 260 R CA 1.954 58.129 56.100 0.124 0.000 0.984 260 R CB -0.420 29.954 30.300 0.123 0.000 0.869 260 R HN 0.271 nan 8.270 nan 0.000 0.455 261 D N -0.352 119.987 120.400 -0.102 0.000 2.201 261 D HA -0.036 4.603 4.640 -0.001 0.000 0.209 261 D C 0.551 176.673 176.300 -0.297 0.000 0.961 261 D CA 0.775 54.662 54.000 -0.187 0.000 0.861 261 D CB -0.206 40.465 40.800 -0.215 0.000 0.997 261 D HN 0.253 nan 8.370 nan 0.000 0.486 262 N N 0.615 119.006 118.700 -0.515 0.000 2.466 262 N HA 0.164 4.903 4.740 -0.001 0.000 0.251 262 N C 0.669 175.991 175.510 -0.315 0.000 1.164 262 N CA 0.151 52.872 53.050 -0.548 0.000 0.888 262 N CB 0.947 38.799 38.487 -1.059 0.000 1.177 262 N HN 0.124 nan 8.380 nan 0.000 0.498 263 G N 1.036 109.723 108.800 -0.188 0.000 2.168 263 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.257 263 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.257 263 G C 0.210 175.025 174.900 -0.142 0.000 0.997 263 G CA 0.619 45.646 45.100 -0.121 0.000 0.708 263 G HN 0.358 nan 8.290 nan 0.000 0.520 264 K N -1.002 119.347 120.400 -0.086 0.000 2.354 264 K HA 0.723 5.042 4.320 -0.001 0.000 0.238 264 K C -0.411 176.180 176.600 -0.014 0.000 1.068 264 K CA -1.046 55.203 56.287 -0.062 0.000 0.925 264 K CB 0.890 33.565 32.500 0.291 0.000 1.286 264 K HN 0.229 nan 8.250 nan 0.000 0.500 265 H N -0.515 118.668 119.070 0.189 0.000 2.538 265 H HA 0.598 5.153 4.556 -0.001 0.000 0.353 265 H C -1.139 174.238 175.328 0.081 0.000 1.109 265 H CA -0.994 55.098 56.048 0.073 0.000 1.192 265 H CB 1.835 31.562 29.762 -0.058 0.000 1.555 265 H HN 0.666 nan 8.280 nan 0.000 0.518 266 A N 2.770 125.683 122.820 0.155 0.000 2.435 266 A HA 0.572 4.891 4.320 -0.001 0.000 0.304 266 A C -1.201 176.362 177.584 -0.034 0.000 1.064 266 A CA -0.711 51.325 52.037 -0.002 0.000 0.727 266 A CB 1.497 20.456 19.000 -0.068 0.000 1.284 266 A HN 0.556 nan 8.150 nan 0.000 0.415 267 L N 2.934 124.116 121.223 -0.069 0.000 2.337 267 L HA 0.606 4.945 4.340 -0.001 0.000 0.269 267 L C -0.882 175.933 176.870 -0.092 0.000 1.018 267 L CA -0.391 54.406 54.840 -0.072 0.000 0.876 267 L CB 0.529 42.547 42.059 -0.068 0.000 1.236 267 L HN 0.723 nan 8.230 nan 0.000 0.436 268 I N 4.400 124.890 120.570 -0.133 0.000 2.474 268 I HA 0.325 4.494 4.170 -0.001 0.000 0.287 268 I C -0.743 175.167 176.117 -0.344 0.000 1.048 268 I CA -0.136 60.998 61.300 -0.276 0.000 1.383 268 I CB 1.157 38.937 38.000 -0.367 0.000 1.412 268 I HN 0.326 nan 8.210 nan 0.000 0.531 269 V N 8.228 127.881 119.914 -0.436 0.000 2.443 269 V HA 0.242 4.362 4.120 -0.001 0.000 0.293 269 V C -1.125 174.621 176.094 -0.580 0.000 1.021 269 V CA -0.458 61.617 62.300 -0.374 0.000 0.848 269 V CB 1.182 32.912 31.823 -0.154 0.000 0.998 269 V HN 0.458 nan 8.190 nan 0.000 0.424 270 Y N 2.678 122.818 120.300 -0.268 0.000 2.691 270 Y HA 0.415 4.964 4.550 -0.002 0.000 0.338 270 Y C 0.381 176.105 175.900 -0.294 0.000 1.148 270 Y CA -0.619 57.301 58.100 -0.301 0.000 1.430 270 Y CB 0.487 38.774 38.460 -0.288 0.000 1.303 270 Y HN 0.531 nan 8.280 nan 0.000 0.499 271 D N 3.638 123.873 120.400 -0.276 0.000 2.472 271 D HA 0.126 4.765 4.640 -0.001 0.000 0.234 271 D C -1.011 175.211 176.300 -0.130 0.000 1.088 271 D CA -0.441 53.432 54.000 -0.212 0.000 0.882 271 D CB 0.369 40.998 40.800 -0.285 0.000 1.037 271 D HN 0.591 nan 8.370 nan 0.000 0.520 272 D N 1.897 122.257 120.400 -0.067 0.000 2.450 272 D HA 0.154 4.794 4.640 -0.001 0.000 0.238 272 D C 1.251 177.501 176.300 -0.083 0.000 1.020 272 D CA -0.678 53.280 54.000 -0.071 0.000 1.010 272 D CB 1.255 42.026 40.800 -0.047 0.000 1.342 272 D HN 0.182 nan 8.370 nan 0.000 0.530 273 L N 0.123 121.252 121.223 -0.156 0.000 2.217 273 L HA -0.147 4.192 4.340 -0.001 0.000 0.211 273 L C 2.294 179.115 176.870 -0.082 0.000 1.107 273 L CA 0.975 55.651 54.840 -0.274 0.000 0.783 273 L CB -0.374 41.287 42.059 -0.663 0.000 0.919 273 L HN 0.375 nan 8.230 nan 0.000 0.442 274 S N -0.198 115.487 115.700 -0.026 0.000 2.399 274 S HA -0.160 4.309 4.470 -0.001 0.000 0.231 274 S C 1.843 176.517 174.600 0.123 0.000 1.022 274 S CA 1.069 59.309 58.200 0.067 0.000 0.983 274 S CB -0.125 63.104 63.200 0.049 0.000 0.803 274 S HN 0.410 nan 8.310 nan 0.000 0.480 275 K N 0.826 121.276 120.400 0.083 0.000 2.305 275 K HA 0.082 4.401 4.320 -0.001 0.000 0.199 275 K C 2.397 179.077 176.600 0.134 0.000 1.047 275 K CA 0.339 56.688 56.287 0.103 0.000 0.976 275 K CB -0.050 32.492 32.500 0.069 0.000 0.765 275 K HN 0.366 nan 8.250 nan 0.000 0.474 276 Q N 0.763 120.635 119.800 0.121 0.000 2.049 276 Q HA -0.112 4.227 4.340 -0.001 0.000 0.198 276 Q C 2.047 178.212 176.000 0.275 0.000 0.971 276 Q CA 1.345 57.245 55.803 0.162 0.000 0.833 276 Q CB -0.047 28.733 28.738 0.069 0.000 0.896 276 Q HN 0.281 nan 8.270 nan 0.000 0.434 277 A N 0.302 123.313 122.820 0.318 0.000 1.908 277 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 277 A C 2.197 180.047 177.584 0.443 0.000 1.181 277 A CA 1.626 53.892 52.037 0.381 0.000 0.627 277 A CB -1.005 18.195 19.000 0.333 0.000 0.818 277 A HN 0.344 nan 8.150 nan 0.000 0.445 278 V N -0.387 119.736 119.914 0.347 0.000 2.427 278 V HA -0.174 3.945 4.120 -0.001 0.000 0.248 278 V C 2.898 179.107 176.094 0.191 0.000 1.051 278 V CA 2.012 64.462 62.300 0.250 0.000 1.048 278 V CB -0.704 31.228 31.823 0.181 0.000 0.666 278 V HN 0.626 nan 8.190 nan 0.000 0.456 279 A N -1.300 121.656 122.820 0.227 0.000 1.902 279 A HA -0.265 4.054 4.320 -0.001 0.000 0.217 279 A C 2.131 179.868 177.584 0.254 0.000 1.181 279 A CA 2.092 54.260 52.037 0.219 0.000 0.623 279 A CB -0.842 18.313 19.000 0.258 0.000 0.818 279 A HN 0.650 nan 8.150 nan 0.000 0.443 280 Y N 0.400 120.813 120.300 0.189 0.000 2.181 280 Y HA -0.192 4.357 4.550 -0.001 0.000 0.288 280 Y C 2.482 178.425 175.900 0.072 0.000 1.146 280 Y CA 1.832 60.015 58.100 0.139 0.000 1.164 280 Y CB -0.441 38.164 38.460 0.241 0.000 0.982 280 Y HN 0.380 nan 8.280 nan 0.000 0.515 281 R N 0.224 120.810 120.500 0.143 0.000 2.159 281 R HA -0.239 4.100 4.340 -0.001 0.000 0.237 281 R C 2.282 178.520 176.300 -0.103 0.000 1.131 281 R CA 1.712 57.781 56.100 -0.051 0.000 0.982 281 R CB -0.240 29.934 30.300 -0.211 0.000 0.868 281 R HN 0.537 nan 8.270 nan 0.000 0.453 282 Q N 0.536 120.308 119.800 -0.046 0.000 1.890 282 Q HA -0.161 4.178 4.340 -0.001 0.000 0.208 282 Q C 2.138 178.075 176.000 -0.105 0.000 0.982 282 Q CA 2.015 57.785 55.803 -0.055 0.000 0.856 282 Q CB -0.207 28.528 28.738 -0.005 0.000 0.915 282 Q HN 0.403 nan 8.270 nan 0.000 0.427 283 L N 0.540 121.688 121.223 -0.126 0.000 2.085 283 L HA -0.308 4.031 4.340 -0.001 0.000 0.218 283 L C 2.540 179.270 176.870 -0.233 0.000 1.080 283 L CA 1.643 56.371 54.840 -0.187 0.000 0.776 283 L CB -0.697 41.208 42.059 -0.255 0.000 0.891 283 L HN 0.260 nan 8.230 nan 0.000 0.437 284 S N -0.403 115.104 115.700 -0.322 0.000 2.406 284 S HA -0.024 4.445 4.470 -0.001 0.000 0.228 284 S C 1.935 176.425 174.600 -0.182 0.000 1.020 284 S CA 0.941 58.948 58.200 -0.322 0.000 0.965 284 S CB -0.118 62.829 63.200 -0.422 0.000 0.798 284 S HN 0.319 nan 8.310 nan 0.000 0.488 285 L N 0.611 121.744 121.223 -0.150 0.000 2.270 285 L HA 0.146 4.485 4.340 -0.001 0.000 0.210 285 L C 1.773 178.591 176.870 -0.087 0.000 1.104 285 L CA 0.641 55.418 54.840 -0.104 0.000 0.804 285 L CB -0.263 41.738 42.059 -0.097 0.000 0.937 285 L HN 0.294 nan 8.230 nan 0.000 0.450 286 L N -0.812 120.354 121.223 -0.095 0.000 2.341 286 L HA -0.088 4.251 4.340 -0.001 0.000 0.214 286 L C 1.925 178.748 176.870 -0.077 0.000 1.115 286 L CA 0.544 55.338 54.840 -0.078 0.000 0.820 286 L CB -0.025 41.989 42.059 -0.075 0.000 0.944 286 L HN 0.233 nan 8.230 nan 0.000 0.452 287 L N -0.366 120.800 121.223 -0.095 0.000 2.591 287 L HA 0.121 4.460 4.340 -0.001 0.000 0.228 287 L C 0.553 177.383 176.870 -0.068 0.000 1.133 287 L CA 0.091 54.881 54.840 -0.083 0.000 0.880 287 L CB -0.091 41.906 42.059 -0.102 0.000 1.033 287 L HN 0.221 nan 8.230 nan 0.000 0.450 288 R N -0.093 120.366 120.500 -0.067 0.000 3.531 288 R HA -0.138 4.201 4.340 -0.001 0.000 0.280 288 R C -0.473 175.799 176.300 -0.046 0.000 1.130 288 R CA 0.169 56.237 56.100 -0.052 0.000 0.757 288 R CB -1.849 28.427 30.300 -0.040 0.000 1.218 288 R HN 0.234 nan 8.270 nan 0.000 0.454 289 R N 0.975 121.440 120.500 -0.058 0.000 2.438 289 R HA 0.206 4.545 4.340 -0.001 0.000 0.287 289 R C -1.995 174.285 176.300 -0.033 0.000 1.077 289 R CA -2.104 53.970 56.100 -0.043 0.000 1.034 289 R CB -0.071 30.195 30.300 -0.056 0.000 0.993 289 R HN -0.044 nan 8.270 nan 0.000 0.459 290 P HA 0.058 nan 4.420 nan 0.000 0.264 290 P C -2.305 174.992 177.300 -0.004 0.000 1.183 290 P CA -0.685 62.407 63.100 -0.012 0.000 0.763 290 P CB -0.103 31.594 31.700 -0.005 0.000 0.807 291 P HA 0.208 nan 4.420 nan 0.000 0.281 291 P C 0.528 177.834 177.300 0.012 0.000 1.252 291 P CA -0.034 63.067 63.100 0.001 0.000 0.778 291 P CB 1.102 32.790 31.700 -0.021 0.000 0.895 292 G N 3.203 112.027 108.800 0.041 0.000 3.286 292 G HA2 0.207 4.166 3.960 -0.001 0.000 0.173 292 G HA3 0.207 4.166 3.960 -0.001 0.000 0.173 292 G C -0.191 174.674 174.900 -0.058 0.000 1.704 292 G CA -0.576 44.518 45.100 -0.009 0.000 1.041 292 G HN 0.365 nan 8.290 nan 0.000 0.561 293 R N 0.521 120.892 120.500 -0.214 0.000 2.594 293 R HA 0.260 4.599 4.340 -0.001 0.000 0.272 293 R C 0.015 176.366 176.300 0.085 0.000 1.074 293 R CA 0.206 56.168 56.100 -0.231 0.000 1.105 293 R CB 0.296 30.172 30.300 -0.706 0.000 1.008 293 R HN 0.625 nan 8.270 nan 0.000 0.472 294 E N 1.834 122.113 120.200 0.132 0.000 2.257 294 E HA -0.335 4.014 4.350 -0.001 0.000 0.224 294 E C 0.190 176.876 176.600 0.143 0.000 1.286 294 E CA 0.499 57.037 56.400 0.230 0.000 0.716 294 E CB -1.085 28.871 29.700 0.428 0.000 1.159 294 E HN 0.817 nan 8.360 nan 0.000 0.367 295 A N -2.027 120.822 122.820 0.047 0.000 2.861 295 A HA -0.307 4.012 4.320 -0.001 0.000 0.261 295 A C -0.069 177.464 177.584 -0.084 0.000 1.351 295 A CA 1.672 53.679 52.037 -0.050 0.000 0.904 295 A CB -2.037 16.895 19.000 -0.112 0.000 1.076 295 A HN 0.465 nan 8.150 nan 0.000 0.729 296 Y N 0.526 120.886 120.300 0.101 0.000 2.299 296 Y HA 0.468 5.017 4.550 -0.001 0.000 0.326 296 Y C -1.385 174.598 175.900 0.139 0.000 1.164 296 Y CA -1.431 56.767 58.100 0.163 0.000 1.234 296 Y CB 0.652 39.304 38.460 0.320 0.000 1.219 296 Y HN 0.228 nan 8.280 nan 0.000 0.497 297 P HA 0.023 nan 4.420 nan 0.000 0.274 297 P C 0.572 178.030 177.300 0.263 0.000 1.231 297 P CA -0.003 63.207 63.100 0.183 0.000 0.790 297 P CB 1.016 32.773 31.700 0.096 0.000 0.951 298 G N 1.730 110.645 108.800 0.192 0.000 2.527 298 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.219 298 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.219 298 G C 0.706 175.753 174.900 0.246 0.000 1.117 298 G CA 0.466 45.686 45.100 0.201 0.000 0.759 298 G HN 0.661 nan 8.290 nan 0.000 0.556 299 D N -0.097 120.475 120.400 0.287 0.000 2.395 299 D HA 0.047 4.687 4.640 -0.001 0.000 0.213 299 D C 1.914 178.431 176.300 0.361 0.000 1.110 299 D CA -0.195 54.010 54.000 0.340 0.000 0.835 299 D CB 0.017 41.030 40.800 0.355 0.000 0.965 299 D HN 0.128 nan 8.370 nan 0.000 0.505 300 V N 0.261 120.365 119.914 0.317 0.000 2.594 300 V HA -0.199 3.921 4.120 -0.001 0.000 0.253 300 V C 1.835 177.863 176.094 -0.110 0.000 1.069 300 V CA 1.242 63.627 62.300 0.141 0.000 1.082 300 V CB -0.844 31.075 31.823 0.160 0.000 0.680 300 V HN 0.168 nan 8.190 nan 0.000 0.469 301 F N 0.548 120.444 119.950 -0.089 0.000 2.051 301 F HA -0.212 4.314 4.527 -0.002 0.000 0.296 301 F C 2.184 177.974 175.800 -0.018 0.000 1.122 301 F CA 2.462 60.409 58.000 -0.089 0.000 1.201 301 F CB -0.949 38.051 39.000 0.000 0.000 0.978 301 F HN 0.337 nan 8.300 nan 0.000 0.472 302 Y N 0.764 121.064 120.300 -0.000 0.000 2.241 302 Y HA -0.249 4.300 4.550 -0.001 0.000 0.286 302 Y C 2.120 177.934 175.900 -0.142 0.000 1.166 302 Y CA 1.675 59.736 58.100 -0.066 0.000 1.203 302 Y CB -0.874 37.664 38.460 0.130 0.000 0.977 302 Y HN 0.289 nan 8.280 nan 0.000 0.529 303 L N -0.052 121.032 121.223 -0.233 0.000 1.971 303 L HA -0.300 4.039 4.340 -0.001 0.000 0.215 303 L C 2.312 179.018 176.870 -0.275 0.000 1.072 303 L CA 2.587 57.243 54.840 -0.307 0.000 0.758 303 L CB -0.956 40.833 42.059 -0.450 0.000 0.889 303 L HN 0.402 nan 8.230 nan 0.000 0.433 304 H N -1.857 116.979 119.070 -0.390 0.000 2.415 304 H HA -0.035 4.520 4.556 -0.001 0.000 0.297 304 H C 2.371 177.401 175.328 -0.497 0.000 1.048 304 H CA 0.796 56.567 56.048 -0.462 0.000 1.365 304 H CB 0.033 29.553 29.762 -0.405 0.000 1.421 304 H HN 0.552 nan 8.280 nan 0.000 0.533 305 S N 1.823 117.218 115.700 -0.508 0.000 2.348 305 S HA -0.247 4.222 4.470 -0.001 0.000 0.221 305 S C 2.108 176.529 174.600 -0.299 0.000 1.033 305 S CA 1.342 59.233 58.200 -0.516 0.000 1.010 305 S CB -0.360 62.317 63.200 -0.871 0.000 0.891 305 S HN 0.547 nan 8.310 nan 0.000 0.442 306 R N 0.697 120.999 120.500 -0.330 0.000 2.285 306 R HA 0.139 4.478 4.340 -0.001 0.000 0.213 306 R C 2.169 178.396 176.300 -0.122 0.000 1.068 306 R CA 1.074 57.024 56.100 -0.249 0.000 1.004 306 R CB -0.496 29.472 30.300 -0.553 0.000 0.873 306 R HN 0.504 nan 8.270 nan 0.000 0.467 307 L N 0.601 121.707 121.223 -0.196 0.000 2.071 307 L HA 0.091 4.430 4.340 -0.001 0.000 0.201 307 L C 2.091 178.802 176.870 -0.265 0.000 1.076 307 L CA 1.141 55.811 54.840 -0.283 0.000 0.755 307 L CB -0.134 41.530 42.059 -0.659 0.000 0.915 307 L HN 0.156 nan 8.230 nan 0.000 0.445 308 L N -0.237 120.802 121.223 -0.307 0.000 2.131 308 L HA -0.140 4.199 4.340 -0.001 0.000 0.210 308 L C 2.358 179.162 176.870 -0.109 0.000 1.092 308 L CA 0.765 55.468 54.840 -0.228 0.000 0.759 308 L CB -0.773 41.143 42.059 -0.237 0.000 0.903 308 L HN 0.294 nan 8.230 nan 0.000 0.435 309 E N 0.459 120.601 120.200 -0.096 0.000 2.455 309 E HA -0.198 4.152 4.350 -0.001 0.000 0.202 309 E C 2.108 178.700 176.600 -0.014 0.000 1.045 309 E CA 0.876 57.251 56.400 -0.042 0.000 0.872 309 E CB -0.050 29.634 29.700 -0.028 0.000 0.792 309 E HN 0.556 nan 8.360 nan 0.000 0.542 310 R N 0.273 120.766 120.500 -0.011 0.000 2.156 310 R HA 0.169 4.508 4.340 -0.001 0.000 0.207 310 R C 1.024 177.345 176.300 0.036 0.000 1.040 310 R CA 0.452 56.567 56.100 0.024 0.000 1.013 310 R CB 0.096 30.424 30.300 0.045 0.000 0.931 310 R HN -0.076 nan 8.270 nan 0.000 0.465 311 A N 1.661 124.501 122.820 0.033 0.000 2.522 311 A HA 0.485 4.804 4.320 -0.001 0.000 0.256 311 A C -0.111 177.480 177.584 0.012 0.000 1.086 311 A CA 0.476 52.534 52.037 0.034 0.000 0.763 311 A CB -0.034 18.989 19.000 0.040 0.000 1.024 311 A HN 0.380 nan 8.150 nan 0.000 0.502 312 A N 2.485 125.312 122.820 0.011 0.000 2.583 312 A HA 0.659 4.978 4.320 -0.001 0.000 0.292 312 A C -0.857 176.725 177.584 -0.003 0.000 1.045 312 A CA -0.743 51.296 52.037 0.003 0.000 0.672 312 A CB 0.904 19.912 19.000 0.013 0.000 1.283 312 A HN 0.910 nan 8.150 nan 0.000 0.419 313 K N 0.915 121.307 120.400 -0.012 0.000 2.206 313 K HA 0.776 5.095 4.320 -0.001 0.000 0.264 313 K C -1.330 175.275 176.600 0.009 0.000 0.967 313 K CA -0.331 55.944 56.287 -0.019 0.000 0.844 313 K CB 0.812 33.282 32.500 -0.051 0.000 1.099 313 K HN 0.608 nan 8.250 nan 0.000 0.441 314 L N 2.395 123.631 121.223 0.022 0.000 2.387 314 L HA 0.469 4.808 4.340 -0.001 0.000 0.266 314 L C 0.143 177.035 176.870 0.036 0.000 1.059 314 L CA -0.546 54.310 54.840 0.027 0.000 0.801 314 L CB 1.671 43.745 42.059 0.025 0.000 1.223 314 L HN 0.913 nan 8.230 nan 0.000 0.456 315 S N -0.649 115.070 115.700 0.030 0.000 2.614 315 S HA 0.133 4.602 4.470 -0.001 0.000 0.265 315 S C 0.742 175.362 174.600 0.034 0.000 1.303 315 S CA -0.644 57.577 58.200 0.034 0.000 1.000 315 S CB 0.916 64.130 63.200 0.024 0.000 0.935 315 S HN 0.659 nan 8.310 nan 0.000 0.551 316 E N 0.457 120.680 120.200 0.037 0.000 2.273 316 E HA -0.182 4.167 4.350 -0.001 0.000 0.198 316 E C 1.593 178.203 176.600 0.017 0.000 1.002 316 E CA 0.874 57.293 56.400 0.032 0.000 0.828 316 E CB -0.090 29.627 29.700 0.029 0.000 0.747 316 E HN 0.639 nan 8.360 nan 0.000 0.491 317 K N 0.651 121.058 120.400 0.012 0.000 2.366 317 K HA -0.064 4.255 4.320 -0.001 0.000 0.198 317 K C 0.592 177.190 176.600 -0.002 0.000 1.044 317 K CA 0.641 56.931 56.287 0.004 0.000 0.973 317 K CB 0.430 32.932 32.500 0.004 0.000 0.767 317 K HN 0.005 nan 8.250 nan 0.000 0.475 318 E N -0.482 119.718 120.200 -0.001 0.000 2.815 318 E HA 0.132 4.481 4.350 -0.001 0.000 0.211 318 E C 0.489 177.079 176.600 -0.016 0.000 1.004 318 E CA 0.172 56.566 56.400 -0.011 0.000 1.173 318 E CB 1.100 30.796 29.700 -0.007 0.000 1.163 318 E HN 0.429 nan 8.360 nan 0.000 0.449 319 G N 1.520 110.312 108.800 -0.013 0.000 2.267 319 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.257 319 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.257 319 G C 0.598 175.500 174.900 0.004 0.000 0.998 319 G CA 0.276 45.364 45.100 -0.021 0.000 0.620 319 G HN 0.247 nan 8.290 nan 0.000 0.529 320 S N -0.367 115.350 115.700 0.029 0.000 3.682 320 S HA -0.073 4.396 4.470 -0.001 0.000 0.354 320 S C 1.318 175.992 174.600 0.124 0.000 1.034 320 S CA 1.367 59.609 58.200 0.072 0.000 1.084 320 S CB -1.447 61.809 63.200 0.093 0.000 0.903 320 S HN 2.152 nan 8.310 nan 0.000 0.470 321 G N 1.034 109.882 108.800 0.080 0.000 2.569 321 G HA2 0.558 4.517 3.960 -0.001 0.000 0.249 321 G HA3 0.558 4.517 3.960 -0.001 0.000 0.249 321 G C -0.048 174.959 174.900 0.178 0.000 1.216 321 G CA 0.309 45.489 45.100 0.135 0.000 0.845 321 G HN 1.235 nan 8.290 nan 0.000 0.568 322 S N -0.624 115.237 115.700 0.268 0.000 2.537 322 S HA 0.633 5.103 4.470 -0.001 0.000 0.270 322 S C -1.460 173.195 174.600 0.091 0.000 1.142 322 S CA -0.839 57.418 58.200 0.094 0.000 0.870 322 S CB 1.999 65.122 63.200 -0.128 0.000 1.112 322 S HN 1.155 nan 8.310 nan 0.000 0.466 323 L N 1.800 123.043 121.223 0.033 0.000 2.439 323 L HA 0.737 5.076 4.340 -0.001 0.000 0.270 323 L C -1.040 175.828 176.870 -0.003 0.000 0.972 323 L CA 0.103 54.964 54.840 0.035 0.000 0.836 323 L CB 2.170 44.271 42.059 0.070 0.000 1.255 323 L HN 0.899 nan 8.230 nan 0.000 0.404 324 T N 4.819 119.358 114.554 -0.025 0.000 2.963 324 T HA 0.671 5.020 4.350 -0.001 0.000 0.343 324 T C 0.115 174.802 174.700 -0.021 0.000 1.146 324 T CA -0.162 61.914 62.100 -0.039 0.000 1.016 324 T CB 0.917 69.739 68.868 -0.077 0.000 1.046 324 T HN 0.832 nan 8.240 nan 0.000 0.496 325 A N 4.020 126.854 122.820 0.023 0.000 2.491 325 A HA 0.466 4.785 4.320 -0.001 0.000 0.261 325 A C 0.251 177.857 177.584 0.038 0.000 1.101 325 A CA -0.121 51.972 52.037 0.092 0.000 0.772 325 A CB -0.211 18.870 19.000 0.134 0.000 1.043 325 A HN 0.909 nan 8.150 nan 0.000 0.501 326 L N 6.081 127.318 121.223 0.023 0.000 2.506 326 L HA 0.282 4.621 4.340 -0.001 0.000 0.247 326 L C -2.107 174.776 176.870 0.022 0.000 1.141 326 L CA -1.798 53.042 54.840 0.001 0.000 0.973 326 L CB 1.355 43.398 42.059 -0.027 0.000 1.319 326 L HN 0.534 nan 8.230 nan 0.000 0.455 327 P HA 0.120 nan 4.420 nan 0.000 0.274 327 P C -0.597 176.676 177.300 -0.045 0.000 1.237 327 P CA -0.184 62.924 63.100 0.013 0.000 0.793 327 P CB 2.011 33.645 31.700 -0.110 0.000 0.977 328 V N 3.471 123.345 119.914 -0.068 0.000 2.407 328 V HA 0.264 4.383 4.120 -0.001 0.000 0.291 328 V C 0.391 176.437 176.094 -0.080 0.000 1.018 328 V CA -0.636 61.624 62.300 -0.066 0.000 0.842 328 V CB 1.372 33.161 31.823 -0.056 0.000 0.996 328 V HN 0.416 nan 8.190 nan 0.000 0.426 329 I N 3.837 124.366 120.570 -0.067 0.000 2.488 329 I HA 0.458 4.627 4.170 -0.001 0.000 0.299 329 I C 0.267 176.362 176.117 -0.037 0.000 0.984 329 I CA -0.166 61.104 61.300 -0.051 0.000 1.250 329 I CB 1.824 39.804 38.000 -0.033 0.000 1.389 329 I HN 0.701 nan 8.210 nan 0.000 0.488 330 E N 4.285 124.473 120.200 -0.020 0.000 2.185 330 E HA 0.331 4.681 4.350 -0.001 0.000 0.261 330 E C -0.516 176.089 176.600 0.009 0.000 0.879 330 E CA -0.448 55.939 56.400 -0.021 0.000 0.756 330 E CB 1.361 31.050 29.700 -0.018 0.000 1.152 330 E HN 0.743 nan 8.360 nan 0.000 0.416 331 T N 1.649 116.210 114.554 0.011 0.000 2.833 331 T HA 0.326 4.675 4.350 -0.001 0.000 0.292 331 T C 0.078 174.806 174.700 0.047 0.000 1.031 331 T CA -0.791 61.343 62.100 0.055 0.000 0.937 331 T CB 1.038 69.976 68.868 0.115 0.000 1.256 331 T HN 0.328 nan 8.240 nan 0.000 0.551 332 Q N 0.175 120.015 119.800 0.067 0.000 2.337 332 Q HA 0.443 4.782 4.340 -0.001 0.000 0.260 332 Q C 0.460 176.495 176.000 0.060 0.000 0.982 332 Q CA -0.030 55.807 55.803 0.057 0.000 0.734 332 Q CB 1.279 30.057 28.738 0.067 0.000 1.272 332 Q HN 1.312 nan 8.270 nan 0.000 0.461 333 G N 1.542 110.369 108.800 0.046 0.000 2.356 333 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.296 333 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.296 333 G C 0.808 175.753 174.900 0.075 0.000 1.022 333 G CA 0.959 46.087 45.100 0.047 0.000 0.961 333 G HN 1.310 nan 8.290 nan 0.000 0.510 334 G N -0.939 107.922 108.800 0.101 0.000 2.153 334 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.252 334 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.252 334 G C 0.204 175.259 174.900 0.258 0.000 0.994 334 G CA 0.926 46.151 45.100 0.208 0.000 0.698 334 G HN 1.375 nan 8.290 nan 0.000 0.521 335 D N 0.535 121.034 120.400 0.166 0.000 2.374 335 D HA 0.432 5.071 4.640 -0.001 0.000 0.240 335 D C 1.842 178.218 176.300 0.126 0.000 1.229 335 D CA 0.293 54.364 54.000 0.118 0.000 0.895 335 D CB 0.892 41.744 40.800 0.085 0.000 1.046 335 D HN 0.398 nan 8.370 nan 0.000 0.498 336 V N 1.792 121.744 119.914 0.064 0.000 2.453 336 V HA -0.117 4.002 4.120 -0.001 0.000 0.247 336 V C 1.933 178.037 176.094 0.017 0.000 1.048 336 V CA 1.065 63.374 62.300 0.015 0.000 1.049 336 V CB -0.795 30.918 31.823 -0.183 0.000 0.672 336 V HN 0.400 nan 8.190 nan 0.000 0.457 337 S N 1.098 116.805 115.700 0.012 0.000 2.595 337 S HA 0.296 4.765 4.470 -0.001 0.000 0.235 337 S C 1.208 175.843 174.600 0.058 0.000 0.974 337 S CA 0.589 58.803 58.200 0.024 0.000 0.942 337 S CB -0.642 62.569 63.200 0.017 0.000 0.766 337 S HN 0.848 nan 8.310 nan 0.000 0.536 338 A N 0.745 123.606 122.820 0.069 0.000 2.406 338 A HA 0.307 4.626 4.320 -0.001 0.000 0.243 338 A C 0.855 178.503 177.584 0.106 0.000 1.082 338 A CA -0.219 51.877 52.037 0.098 0.000 0.786 338 A CB -0.119 18.937 19.000 0.094 0.000 1.029 338 A HN 0.354 nan 8.150 nan 0.000 0.495 339 Y N 1.276 121.573 120.300 -0.004 0.000 2.314 339 Y HA -0.126 4.423 4.550 -0.002 0.000 0.293 339 Y C 1.550 177.403 175.900 -0.078 0.000 1.129 339 Y CA 1.637 59.718 58.100 -0.031 0.000 1.201 339 Y CB -0.044 38.402 38.460 -0.022 0.000 0.999 339 Y HN 0.489 nan 8.280 nan 0.000 0.541 340 I N 0.953 121.350 120.570 -0.288 0.000 2.162 340 I HA -0.091 4.078 4.170 -0.001 0.000 0.238 340 I C -0.345 175.681 176.117 -0.151 0.000 1.076 340 I CA 0.696 61.790 61.300 -0.343 0.000 1.353 340 I CB -2.729 35.087 38.000 -0.307 0.000 1.063 340 I HN 0.069 nan 8.210 nan 0.000 0.408 341 P HA -0.191 nan 4.420 nan 0.000 0.214 341 P C 1.838 179.134 177.300 -0.007 0.000 1.169 341 P CA 2.972 66.068 63.100 -0.008 0.000 0.908 341 P CB -0.550 31.172 31.700 0.036 0.000 0.791 342 T N -2.414 112.137 114.554 -0.004 0.000 2.649 342 T HA -0.269 4.080 4.350 -0.001 0.000 0.268 342 T C 1.654 176.363 174.700 0.015 0.000 1.036 342 T CA 1.998 64.103 62.100 0.009 0.000 1.157 342 T CB -1.425 67.461 68.868 0.030 0.000 0.861 342 T HN 0.025 nan 8.240 nan 0.000 0.445 343 N N 1.295 119.977 118.700 -0.029 0.000 2.084 343 N HA -0.027 4.712 4.740 -0.001 0.000 0.190 343 N C 2.068 177.645 175.510 0.111 0.000 1.030 343 N CA 1.366 54.461 53.050 0.074 0.000 0.849 343 N CB -0.815 37.643 38.487 -0.049 0.000 1.012 343 N HN 0.427 nan 8.380 nan 0.000 0.423 344 V N 1.630 121.561 119.914 0.028 0.000 2.379 344 V HA -0.086 4.033 4.120 -0.001 0.000 0.245 344 V C 2.236 178.328 176.094 -0.003 0.000 1.044 344 V CA 0.989 63.282 62.300 -0.011 0.000 1.036 344 V CB -0.457 31.323 31.823 -0.072 0.000 0.664 344 V HN 0.207 nan 8.190 nan 0.000 0.453 345 I N 1.628 122.206 120.570 0.014 0.000 2.286 345 I HA -0.198 3.971 4.170 -0.001 0.000 0.248 345 I C 2.452 178.593 176.117 0.041 0.000 1.115 345 I CA 1.821 63.134 61.300 0.022 0.000 1.392 345 I CB -0.533 37.481 38.000 0.022 0.000 1.065 345 I HN 0.461 nan 8.210 nan 0.000 0.418 346 S N 0.348 116.092 115.700 0.073 0.000 2.555 346 S HA 0.077 4.546 4.470 -0.001 0.000 0.230 346 S C 1.643 176.340 174.600 0.161 0.000 0.978 346 S CA 0.429 58.695 58.200 0.110 0.000 0.934 346 S CB -0.431 62.836 63.200 0.111 0.000 0.766 346 S HN 0.435 nan 8.310 nan 0.000 0.533 347 I N 1.820 122.457 120.570 0.111 0.000 2.729 347 I HA 0.026 4.195 4.170 -0.001 0.000 0.256 347 I C 1.441 177.555 176.117 -0.005 0.000 1.115 347 I CA 0.548 61.869 61.300 0.035 0.000 1.446 347 I CB -0.694 37.244 38.000 -0.103 0.000 1.176 347 I HN 0.264 nan 8.210 nan 0.000 0.446 348 T N -0.925 113.618 114.554 -0.019 0.000 2.698 348 T HA 0.083 4.433 4.350 -0.001 0.000 0.295 348 T C 0.111 174.807 174.700 -0.006 0.000 1.007 348 T CA -0.389 61.695 62.100 -0.026 0.000 0.980 348 T CB 0.493 69.341 68.868 -0.033 0.000 1.036 348 T HN 0.007 nan 8.240 nan 0.000 0.526 349 D N 0.569 120.963 120.400 -0.009 0.000 2.722 349 D HA 0.466 5.105 4.640 -0.001 0.000 0.239 349 D C 0.967 177.268 176.300 0.002 0.000 1.249 349 D CA 0.387 54.385 54.000 -0.002 0.000 0.830 349 D CB -0.340 40.456 40.800 -0.007 0.000 1.025 349 D HN 1.003 nan 8.370 nan 0.000 0.486 350 G N 0.699 109.503 108.800 0.006 0.000 2.384 350 G HA2 0.165 4.124 3.960 -0.001 0.000 0.668 350 G HA3 0.165 4.124 3.960 -0.001 0.000 0.668 350 G C -1.619 173.292 174.900 0.018 0.000 1.280 350 G CA -1.070 44.038 45.100 0.014 0.000 0.992 350 G HN 0.158 nan 8.290 nan 0.000 0.512 351 Q N -1.520 118.300 119.800 0.033 0.000 2.435 351 Q HA 0.714 5.054 4.340 -0.001 0.000 0.282 351 Q C -0.643 175.400 176.000 0.072 0.000 1.020 351 Q CA -0.719 55.114 55.803 0.050 0.000 0.820 351 Q CB 1.946 30.728 28.738 0.074 0.000 1.436 351 Q HN 0.755 nan 8.270 nan 0.000 0.395 352 I N 1.784 122.396 120.570 0.069 0.000 2.523 352 I HA 0.282 4.451 4.170 -0.001 0.000 0.281 352 I C -0.834 175.341 176.117 0.097 0.000 1.126 352 I CA -0.549 60.795 61.300 0.074 0.000 1.187 352 I CB 0.167 38.186 38.000 0.032 0.000 1.478 352 I HN 0.548 nan 8.210 nan 0.000 0.522 353 F N 6.099 126.053 119.950 0.007 0.000 2.538 353 F HA 0.197 4.722 4.527 -0.002 0.000 0.382 353 F C -0.038 175.770 175.800 0.013 0.000 1.069 353 F CA 0.025 58.029 58.000 0.007 0.000 1.138 353 F CB 0.265 39.272 39.000 0.012 0.000 1.068 353 F HN 0.222 nan 8.300 nan 0.000 0.556 354 L N 6.647 127.592 121.223 -0.462 0.000 2.261 354 L HA 0.275 4.615 4.340 -0.001 0.000 0.289 354 L C 0.167 176.697 176.870 -0.566 0.000 1.059 354 L CA -0.256 54.370 54.840 -0.357 0.000 0.816 354 L CB 0.873 42.781 42.059 -0.252 0.000 1.191 354 L HN 0.564 nan 8.230 nan 0.000 0.431 355 E N 1.954 122.005 120.200 -0.248 0.000 2.227 355 E HA 0.300 4.649 4.350 -0.001 0.000 0.282 355 E C 0.435 177.038 176.600 0.005 0.000 1.015 355 E CA -0.187 56.154 56.400 -0.098 0.000 0.823 355 E CB 1.869 31.681 29.700 0.186 0.000 1.081 355 E HN 0.731 nan 8.360 nan 0.000 0.396 356 A N 4.491 127.311 122.820 -0.000 0.000 1.930 356 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 356 A C 1.863 179.557 177.584 0.184 0.000 1.175 356 A CA 1.283 53.363 52.037 0.072 0.000 0.627 356 A CB -0.275 18.736 19.000 0.018 0.000 0.815 356 A HN 0.862 nan 8.150 nan 0.000 0.443 357 E N -0.060 120.220 120.200 0.134 0.000 2.118 357 E HA -0.205 4.144 4.350 -0.001 0.000 0.195 357 E C 1.870 178.600 176.600 0.217 0.000 0.992 357 E CA 1.371 57.857 56.400 0.142 0.000 0.804 357 E CB -0.194 29.564 29.700 0.096 0.000 0.741 357 E HN 0.669 nan 8.360 nan 0.000 0.458 358 L N -0.447 120.896 121.223 0.200 0.000 2.056 358 L HA -0.125 4.214 4.340 -0.001 0.000 0.207 358 L C 2.417 179.411 176.870 0.207 0.000 1.078 358 L CA 0.912 55.865 54.840 0.188 0.000 0.749 358 L CB -0.430 41.730 42.059 0.170 0.000 0.901 358 L HN 0.132 nan 8.230 nan 0.000 0.433 359 F N -0.707 119.297 119.950 0.091 0.000 2.293 359 F HA -0.250 4.277 4.527 -0.001 0.000 0.300 359 F C 2.428 178.290 175.800 0.104 0.000 1.086 359 F CA 1.064 59.107 58.000 0.072 0.000 1.375 359 F CB -0.149 38.878 39.000 0.046 0.000 1.045 359 F HN 0.034 nan 8.300 nan 0.000 0.516 360 Y N 0.889 121.286 120.300 0.162 0.000 2.373 360 Y HA -0.037 4.511 4.550 -0.003 0.000 0.293 360 Y C 1.648 177.552 175.900 0.007 0.000 1.129 360 Y CA 1.409 59.556 58.100 0.078 0.000 1.226 360 Y CB -0.312 38.209 38.460 0.100 0.000 1.000 360 Y HN -0.079 nan 8.280 nan 0.000 0.549 361 K N -0.188 120.256 120.400 0.072 0.000 2.417 361 K HA 0.246 4.565 4.320 -0.001 0.000 0.196 361 K C 1.073 177.621 176.600 -0.088 0.000 1.023 361 K CA 0.543 56.817 56.287 -0.023 0.000 1.122 361 K CB 0.169 32.718 32.500 0.082 0.000 0.850 361 K HN 0.433 nan 8.250 nan 0.000 0.521 362 G N 1.659 110.364 108.800 -0.159 0.000 2.143 362 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.249 362 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.249 362 G C -0.112 174.696 174.900 -0.154 0.000 0.981 362 G CA -0.391 44.584 45.100 -0.208 0.000 0.665 362 G HN 0.179 nan 8.290 nan 0.000 0.528 363 I N 1.892 122.409 120.570 -0.088 0.000 2.322 363 I HA 0.445 4.614 4.170 -0.001 0.000 0.292 363 I C 0.752 176.867 176.117 -0.002 0.000 1.060 363 I CA -0.014 61.279 61.300 -0.012 0.000 1.309 363 I CB 0.618 38.653 38.000 0.058 0.000 1.415 363 I HN 0.138 nan 8.210 nan 0.000 0.492 364 R N 6.982 127.479 120.500 -0.006 0.000 2.515 364 R HA 0.454 4.793 4.340 -0.001 0.000 0.291 364 R C -2.855 173.475 176.300 0.050 0.000 1.046 364 R CA -1.827 54.294 56.100 0.036 0.000 0.914 364 R CB 1.700 31.965 30.300 -0.058 0.000 1.191 364 R HN 0.174 nan 8.270 nan 0.000 0.435 365 P HA 0.135 nan 4.420 nan 0.000 0.281 365 P C -0.300 177.080 177.300 0.133 0.000 1.252 365 P CA -0.466 62.708 63.100 0.123 0.000 0.778 365 P CB 1.118 32.860 31.700 0.070 0.000 0.895 366 A N 4.839 127.784 122.820 0.208 0.000 3.052 366 A HA 0.155 4.474 4.320 -0.001 0.000 0.266 366 A C 0.487 178.136 177.584 0.109 0.000 1.855 366 A CA -0.258 51.888 52.037 0.182 0.000 1.473 366 A CB -1.580 17.590 19.000 0.284 0.000 1.038 366 A HN 0.508 nan 8.150 nan 0.000 0.619 367 I N 1.848 122.477 120.570 0.098 0.000 2.363 367 I HA 0.001 4.170 4.170 -0.001 0.000 0.292 367 I C 0.609 176.806 176.117 0.133 0.000 1.075 367 I CA -0.412 60.946 61.300 0.097 0.000 1.333 367 I CB 0.281 38.330 38.000 0.082 0.000 1.415 367 I HN 0.473 nan 8.210 nan 0.000 0.502 368 N N 6.716 125.525 118.700 0.181 0.000 2.452 368 N HA 0.010 4.749 4.740 -0.001 0.000 0.266 368 N C 0.630 176.243 175.510 0.172 0.000 1.209 368 N CA 0.096 53.275 53.050 0.214 0.000 0.929 368 N CB 1.348 40.046 38.487 0.351 0.000 1.063 368 N HN 0.384 nan 8.380 nan 0.000 0.472 369 V N 3.767 123.765 119.914 0.140 0.000 2.273 369 V HA 0.009 4.129 4.120 -0.001 0.000 0.242 369 V C 2.220 178.370 176.094 0.093 0.000 1.035 369 V CA 1.788 64.157 62.300 0.115 0.000 1.013 369 V CB -1.241 30.654 31.823 0.121 0.000 0.652 369 V HN 0.752 nan 8.190 nan 0.000 0.452 370 G N -0.996 107.854 108.800 0.082 0.000 2.740 370 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.208 370 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.208 370 G C 1.153 176.062 174.900 0.015 0.000 1.148 370 G CA 0.438 45.566 45.100 0.047 0.000 0.795 370 G HN 0.463 nan 8.290 nan 0.000 0.526 371 L N -0.426 120.816 121.223 0.031 0.000 3.217 371 L HA 0.258 4.597 4.340 -0.001 0.000 0.288 371 L C 0.182 177.084 176.870 0.055 0.000 1.202 371 L CA 0.032 54.856 54.840 -0.026 0.000 1.027 371 L CB 0.725 42.670 42.059 -0.190 0.000 1.427 371 L HN 0.034 nan 8.230 nan 0.000 0.600 372 S N -0.049 115.712 115.700 0.100 0.000 2.565 372 S HA 0.611 5.081 4.470 -0.001 0.000 0.290 372 S C -0.682 173.955 174.600 0.062 0.000 1.150 372 S CA -0.409 57.851 58.200 0.101 0.000 1.058 372 S CB 2.741 66.008 63.200 0.112 0.000 1.032 372 S HN -0.018 nan 8.310 nan 0.000 0.510 373 V N 1.876 121.819 119.914 0.049 0.000 2.852 373 V HA 0.638 4.757 4.120 -0.001 0.000 0.300 373 V C -0.736 175.374 176.094 0.027 0.000 1.205 373 V CA -0.471 61.850 62.300 0.035 0.000 0.940 373 V CB 2.143 33.982 31.823 0.026 0.000 1.047 373 V HN 0.842 nan 8.190 nan 0.000 0.429 374 S N 5.812 121.525 115.700 0.022 0.000 2.499 374 S HA 0.547 5.016 4.470 -0.001 0.000 0.279 374 S C 0.809 175.415 174.600 0.011 0.000 1.219 374 S CA -0.502 57.706 58.200 0.013 0.000 1.062 374 S CB 1.205 64.410 63.200 0.008 0.000 0.978 374 S HN 0.843 nan 8.310 nan 0.000 0.489 375 R N 2.435 122.939 120.500 0.008 0.000 2.206 375 R HA 0.120 4.459 4.340 -0.001 0.000 0.198 375 R C 1.035 177.339 176.300 0.007 0.000 0.986 375 R CA 1.009 57.114 56.100 0.009 0.000 1.029 375 R CB 0.213 30.518 30.300 0.009 0.000 0.966 375 R HN 0.660 nan 8.270 nan 0.000 0.487 376 V N -4.927 114.988 119.914 0.002 0.000 3.276 376 V HA 0.428 4.547 4.120 -0.001 0.000 0.319 376 V C 0.975 177.068 176.094 -0.002 0.000 1.476 376 V CA 0.290 62.591 62.300 0.002 0.000 1.097 376 V CB 0.936 32.759 31.823 0.000 0.000 0.988 376 V HN 0.143 nan 8.190 nan 0.000 0.473 377 G N 0.804 109.602 108.800 -0.004 0.000 2.833 377 G HA2 0.042 4.001 3.960 -0.001 0.000 0.210 377 G HA3 0.042 4.001 3.960 -0.001 0.000 0.210 377 G C 1.135 176.034 174.900 -0.001 0.000 1.139 377 G CA 0.901 45.995 45.100 -0.010 0.000 0.771 377 G HN 0.540 nan 8.290 nan 0.000 0.535 378 S N 0.583 116.286 115.700 0.005 0.000 2.653 378 S HA 0.318 4.787 4.470 -0.001 0.000 0.233 378 S C 1.556 176.163 174.600 0.012 0.000 0.970 378 S CA 0.683 58.889 58.200 0.010 0.000 0.947 378 S CB 0.205 63.413 63.200 0.013 0.000 0.771 378 S HN 0.549 nan 8.310 nan 0.000 0.538 379 A N -0.418 122.409 122.820 0.012 0.000 2.653 379 A HA 0.795 5.114 4.320 -0.001 0.000 0.248 379 A C 1.441 179.040 177.584 0.025 0.000 1.211 379 A CA 0.310 52.358 52.037 0.017 0.000 0.991 379 A CB 0.122 19.132 19.000 0.017 0.000 1.252 379 A HN 0.438 nan 8.150 nan 0.000 0.593 380 A N -0.827 122.002 122.820 0.015 0.000 2.259 380 A HA 0.298 4.617 4.320 -0.001 0.000 0.213 380 A C 1.057 178.637 177.584 -0.006 0.000 1.209 380 A CA 0.195 52.237 52.037 0.009 0.000 0.910 380 A CB -0.125 18.863 19.000 -0.020 0.000 0.946 380 A HN 0.468 nan 8.150 nan 0.000 0.497 381 Q N 0.762 120.560 119.800 -0.003 0.000 2.421 381 Q HA 0.292 4.631 4.340 -0.001 0.000 0.255 381 Q C -0.569 175.434 176.000 0.005 0.000 1.013 381 Q CA -0.161 55.639 55.803 -0.005 0.000 0.895 381 Q CB 0.712 29.452 28.738 0.003 0.000 1.271 381 Q HN 0.226 nan 8.270 nan 0.000 0.460 382 V N 5.468 125.386 119.914 0.006 0.000 2.509 382 V HA -0.145 3.974 4.120 -0.001 0.000 0.297 382 V C 1.525 177.634 176.094 0.025 0.000 1.014 382 V CA 0.452 62.764 62.300 0.019 0.000 1.127 382 V CB 0.187 32.028 31.823 0.030 0.000 0.925 382 V HN 0.881 nan 8.190 nan 0.000 0.480 383 K N 4.292 124.708 120.400 0.027 0.000 2.013 383 K HA -0.347 3.972 4.320 -0.001 0.000 0.225 383 K C 2.246 178.866 176.600 0.033 0.000 1.056 383 K CA 2.053 58.357 56.287 0.028 0.000 0.971 383 K CB -0.589 31.927 32.500 0.027 0.000 0.731 383 K HN 0.849 nan 8.250 nan 0.000 0.450 384 A N 1.456 124.299 122.820 0.038 0.000 1.944 384 A HA -0.266 4.053 4.320 -0.001 0.000 0.222 384 A C 2.246 179.861 177.584 0.052 0.000 1.237 384 A CA 2.223 54.288 52.037 0.046 0.000 0.668 384 A CB -1.039 17.988 19.000 0.045 0.000 0.830 384 A HN 0.309 nan 8.150 nan 0.000 0.471 385 L N -1.310 119.940 121.223 0.046 0.000 2.072 385 L HA -0.153 4.187 4.340 -0.001 0.000 0.205 385 L C 2.649 179.540 176.870 0.036 0.000 1.079 385 L CA 1.813 56.680 54.840 0.045 0.000 0.752 385 L CB -0.473 41.609 42.059 0.039 0.000 0.906 385 L HN 0.510 nan 8.230 nan 0.000 0.436 386 K N 0.275 120.693 120.400 0.029 0.000 2.063 386 K HA -0.239 4.081 4.320 -0.001 0.000 0.208 386 K C 2.122 178.735 176.600 0.022 0.000 1.048 386 K CA 1.537 57.838 56.287 0.023 0.000 0.928 386 K CB -0.000 32.512 32.500 0.021 0.000 0.713 386 K HN 0.336 nan 8.250 nan 0.000 0.442 387 Q N -0.128 119.690 119.800 0.029 0.000 2.061 387 Q HA -0.148 4.191 4.340 -0.001 0.000 0.204 387 Q C 2.015 178.031 176.000 0.027 0.000 0.984 387 Q CA 1.665 57.486 55.803 0.030 0.000 0.846 387 Q CB -0.015 28.748 28.738 0.043 0.000 0.902 387 Q HN 0.175 nan 8.270 nan 0.000 0.421 388 V N -0.391 119.548 119.914 0.042 0.000 3.541 388 V HA 0.140 4.259 4.120 -0.001 0.000 0.267 388 V C 0.290 176.384 176.094 0.001 0.000 1.213 388 V CA 0.788 63.113 62.300 0.040 0.000 1.149 388 V CB 0.312 32.206 31.823 0.119 0.000 0.822 388 V HN 0.266 nan 8.190 nan 0.000 0.462 389 A N 0.208 123.028 122.820 -0.000 0.000 3.215 389 A HA 0.655 4.974 4.320 -0.001 0.000 0.320 389 A C 0.735 178.309 177.584 -0.016 0.000 1.084 389 A CA 0.188 52.213 52.037 -0.021 0.000 0.969 389 A CB -0.242 18.754 19.000 -0.008 0.000 1.064 389 A HN 0.471 nan 8.150 nan 0.000 0.513 390 G N -0.031 108.755 108.800 -0.023 0.000 2.428 390 G HA2 0.420 4.379 3.960 -0.001 0.000 0.293 390 G HA3 0.420 4.379 3.960 -0.001 0.000 0.293 390 G C 0.729 175.638 174.900 0.015 0.000 1.059 390 G CA 0.740 45.838 45.100 -0.002 0.000 1.194 390 G HN 1.097 nan 8.290 nan 0.000 0.435 391 S N 0.576 116.295 115.700 0.032 0.000 2.857 391 S HA -0.231 4.238 4.470 -0.001 0.000 0.268 391 S C 1.707 176.360 174.600 0.089 0.000 1.297 391 S CA 0.706 58.945 58.200 0.065 0.000 1.280 391 S CB -1.233 62.020 63.200 0.090 0.000 1.562 391 S HN 0.855 nan 8.310 nan 0.000 0.661 392 L N 1.662 122.905 121.223 0.033 0.000 2.230 392 L HA -0.200 4.139 4.340 -0.001 0.000 0.217 392 L C 1.906 178.829 176.870 0.088 0.000 1.090 392 L CA 2.901 57.740 54.840 -0.002 0.000 0.771 392 L CB -0.565 41.458 42.059 -0.059 0.000 0.892 392 L HN 0.440 nan 8.230 nan 0.000 0.438 393 K N -0.381 120.072 120.400 0.087 0.000 1.965 393 K HA -0.127 4.192 4.320 -0.001 0.000 0.218 393 K C 1.921 178.600 176.600 0.131 0.000 1.048 393 K CA 2.137 58.480 56.287 0.094 0.000 0.960 393 K CB -0.598 31.942 32.500 0.068 0.000 0.732 393 K HN 0.393 nan 8.250 nan 0.000 0.444 394 L N 0.412 121.707 121.223 0.120 0.000 2.465 394 L HA -0.041 4.298 4.340 -0.001 0.000 0.224 394 L C 2.066 179.020 176.870 0.139 0.000 1.145 394 L CA 0.295 55.199 54.840 0.106 0.000 0.834 394 L CB -0.347 41.751 42.059 0.065 0.000 0.944 394 L HN 0.230 nan 8.230 nan 0.000 0.451 395 F N 0.626 120.597 119.950 0.035 0.000 2.026 395 F HA -0.301 4.225 4.527 -0.002 0.000 0.296 395 F C 2.132 177.981 175.800 0.081 0.000 1.133 395 F CA 1.672 59.695 58.000 0.038 0.000 1.188 395 F CB 0.057 39.059 39.000 0.003 0.000 0.968 395 F HN -0.089 nan 8.300 nan 0.000 0.476 396 L N 0.242 121.726 121.223 0.435 0.000 2.156 396 L HA -0.043 4.296 4.340 -0.001 0.000 0.208 396 L C 2.561 179.605 176.870 0.290 0.000 1.095 396 L CA 1.669 56.722 54.840 0.354 0.000 0.770 396 L CB -1.415 40.776 42.059 0.220 0.000 0.914 396 L HN 0.250 nan 8.230 nan 0.000 0.439 397 A N -1.683 121.252 122.820 0.190 0.000 2.014 397 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 397 A C 2.078 179.714 177.584 0.087 0.000 1.163 397 A CA 1.041 53.153 52.037 0.126 0.000 0.652 397 A CB -0.224 18.830 19.000 0.090 0.000 0.808 397 A HN 0.484 nan 8.150 nan 0.000 0.449 398 Q N -2.380 117.464 119.800 0.074 0.000 2.282 398 Q HA 0.066 4.405 4.340 -0.001 0.000 0.206 398 Q C 1.196 177.205 176.000 0.014 0.000 0.878 398 Q CA 0.105 55.915 55.803 0.012 0.000 0.944 398 Q CB 0.207 28.926 28.738 -0.031 0.000 1.100 398 Q HN 0.884 nan 8.270 nan 0.000 0.509 399 Y N 0.652 120.922 120.300 -0.050 0.000 2.420 399 Y HA 0.016 4.564 4.550 -0.002 0.000 0.292 399 Y C 2.125 178.033 175.900 0.014 0.000 1.119 399 Y CA 0.964 59.042 58.100 -0.036 0.000 1.229 399 Y CB 0.176 38.659 38.460 0.038 0.000 1.026 399 Y HN -0.118 nan 8.280 nan 0.000 0.554 400 R N 0.466 120.939 120.500 -0.046 0.000 2.119 400 R HA -0.092 4.247 4.340 -0.001 0.000 0.222 400 R C 1.582 177.818 176.300 -0.107 0.000 1.088 400 R CA 1.662 57.700 56.100 -0.102 0.000 0.984 400 R CB 0.023 30.349 30.300 0.043 0.000 0.884 400 R HN 0.499 nan 8.270 nan 0.000 0.447 401 E N -0.577 119.580 120.200 -0.072 0.000 2.358 401 E HA -0.066 4.283 4.350 -0.001 0.000 0.195 401 E C 1.740 178.300 176.600 -0.068 0.000 1.010 401 E CA 0.539 56.906 56.400 -0.056 0.000 0.856 401 E CB 0.348 30.013 29.700 -0.059 0.000 0.795 401 E HN 0.095 nan 8.360 nan 0.000 0.504 402 V N 1.288 121.133 119.914 -0.116 0.000 2.300 402 V HA -0.110 4.009 4.120 -0.001 0.000 0.241 402 V C 2.298 178.347 176.094 -0.074 0.000 1.034 402 V CA 1.642 63.886 62.300 -0.093 0.000 1.021 402 V CB -0.605 31.153 31.823 -0.108 0.000 0.662 402 V HN 0.315 nan 8.190 nan 0.000 0.458 403 A N 0.141 122.824 122.820 -0.229 0.000 2.131 403 A HA -0.008 4.311 4.320 -0.001 0.000 0.220 403 A C 1.829 179.367 177.584 -0.077 0.000 1.158 403 A CA 1.586 53.505 52.037 -0.196 0.000 0.665 403 A CB -0.551 18.215 19.000 -0.390 0.000 0.795 403 A HN 0.631 nan 8.150 nan 0.000 0.460 404 A N -2.589 120.208 122.820 -0.038 0.000 2.988 404 A HA 0.579 4.898 4.320 -0.001 0.000 0.288 404 A C 0.235 177.916 177.584 0.162 0.000 1.385 404 A CA -0.169 51.888 52.037 0.033 0.000 1.001 404 A CB -0.692 18.323 19.000 0.024 0.000 1.071 404 A HN 0.571 nan 8.150 nan 0.000 0.608 405 F N -1.986 117.928 119.950 -0.060 0.000 2.895 405 F HA 0.375 4.903 4.527 0.001 0.000 0.334 405 F C 1.279 177.055 175.800 -0.038 0.000 1.252 405 F CA 0.433 58.406 58.000 -0.044 0.000 1.056 405 F CB 0.317 39.290 39.000 -0.045 0.000 1.311 405 F HN 0.281 nan 8.300 nan 0.000 0.506 406 A N -0.492 122.328 122.820 0.001 0.000 1.963 406 A HA 0.268 4.587 4.320 -0.001 0.000 0.207 406 A C 1.039 178.583 177.584 -0.067 0.000 1.243 406 A CA 0.354 52.377 52.037 -0.025 0.000 0.728 406 A CB -0.038 18.961 19.000 -0.002 0.000 0.895 406 A HN 0.327 nan 8.150 nan 0.000 0.467 411 D N 0.055 120.453 120.400 -0.003 0.000 2.583 411 D HA 0.478 5.117 4.640 -0.001 0.000 0.248 411 D C -1.303 175.003 176.300 0.010 0.000 1.209 411 D CA -0.440 53.562 54.000 0.003 0.000 0.848 411 D CB 1.954 42.758 40.800 0.008 0.000 1.431 411 D HN 0.353 nan 8.370 nan 0.000 0.436 412 L N 1.472 122.700 121.223 0.008 0.000 2.515 412 L HA 0.126 4.465 4.340 -0.001 0.000 0.281 412 L C -0.072 176.805 176.870 0.012 0.000 1.131 412 L CA 0.471 55.317 54.840 0.010 0.000 0.905 412 L CB -0.202 41.861 42.059 0.006 0.000 1.246 412 L HN 0.221 nan 8.230 nan 0.000 0.463 413 D N 2.458 122.868 120.400 0.017 0.000 2.438 413 D HA 0.333 4.972 4.640 -0.001 0.000 0.257 413 D C 0.755 177.064 176.300 0.016 0.000 1.148 413 D CA -0.254 53.756 54.000 0.016 0.000 0.902 413 D CB 1.425 42.238 40.800 0.022 0.000 1.062 413 D HN 0.519 nan 8.370 nan 0.000 0.518 414 A N 2.508 125.336 122.820 0.012 0.000 2.264 414 A HA -0.045 4.274 4.320 -0.001 0.000 0.207 414 A C 1.963 179.554 177.584 0.012 0.000 1.196 414 A CA 0.808 52.852 52.037 0.012 0.000 0.778 414 A CB -0.231 18.774 19.000 0.008 0.000 0.779 414 A HN 0.455 nan 8.150 nan 0.000 0.483 415 S N -0.336 115.370 115.700 0.010 0.000 2.355 415 S HA -0.094 4.375 4.470 -0.001 0.000 0.216 415 S C 1.992 176.597 174.600 0.008 0.000 1.037 415 S CA 1.782 59.986 58.200 0.006 0.000 0.955 415 S CB -0.429 62.771 63.200 0.001 0.000 0.877 415 S HN 0.650 nan 8.310 nan 0.000 0.488 416 T N -0.117 114.443 114.554 0.010 0.000 3.067 416 T HA 0.243 4.592 4.350 -0.001 0.000 0.257 416 T C 1.689 176.411 174.700 0.037 0.000 1.105 416 T CA 0.469 62.577 62.100 0.014 0.000 1.104 416 T CB -0.082 68.788 68.868 0.003 0.000 0.925 416 T HN 0.391 nan 8.240 nan 0.000 0.498 417 K N 1.304 121.724 120.400 0.034 0.000 2.057 417 K HA -0.094 4.225 4.320 -0.001 0.000 0.206 417 K C 2.476 179.107 176.600 0.051 0.000 1.050 417 K CA 1.011 57.323 56.287 0.042 0.000 0.935 417 K CB -0.129 32.388 32.500 0.029 0.000 0.715 417 K HN 0.383 nan 8.250 nan 0.000 0.439 418 Q N 0.187 120.011 119.800 0.041 0.000 2.084 418 Q HA -0.134 4.205 4.340 -0.001 0.000 0.202 418 Q C 1.688 177.728 176.000 0.066 0.000 0.978 418 Q CA 2.213 58.041 55.803 0.041 0.000 0.844 418 Q CB -0.077 28.677 28.738 0.027 0.000 0.898 418 Q HN 0.523 nan 8.270 nan 0.000 0.426 419 T N -1.121 113.478 114.554 0.074 0.000 3.072 419 T HA -0.099 4.250 4.350 -0.001 0.000 0.266 419 T C 1.628 176.437 174.700 0.182 0.000 1.127 419 T CA 0.692 62.857 62.100 0.110 0.000 1.107 419 T CB -0.055 68.831 68.868 0.029 0.000 0.910 419 T HN 0.233 nan 8.240 nan 0.000 0.513 420 L N 1.300 122.632 121.223 0.181 0.000 2.095 420 L HA 0.164 4.504 4.340 -0.001 0.000 0.204 420 L C 2.506 179.499 176.870 0.205 0.000 1.080 420 L CA 1.057 56.065 54.840 0.281 0.000 0.759 420 L CB -0.413 41.759 42.059 0.187 0.000 0.914 420 L HN 0.130 nan 8.230 nan 0.000 0.439 421 V N 0.186 120.170 119.914 0.115 0.000 2.546 421 V HA -0.260 3.859 4.120 -0.001 0.000 0.254 421 V C 2.731 178.847 176.094 0.038 0.000 1.076 421 V CA 1.494 63.833 62.300 0.065 0.000 1.087 421 V CB -1.109 30.734 31.823 0.034 0.000 0.674 421 V HN 0.412 nan 8.190 nan 0.000 0.470 422 R N 0.780 121.311 120.500 0.051 0.000 2.054 422 R HA 0.013 4.352 4.340 -0.001 0.000 0.223 422 R C 2.608 178.843 176.300 -0.108 0.000 1.176 422 R CA 1.531 57.630 56.100 -0.001 0.000 0.934 422 R CB -1.489 28.867 30.300 0.093 0.000 0.828 422 R HN 0.500 nan 8.270 nan 0.000 0.441 423 G N 1.495 110.147 108.800 -0.246 0.000 2.517 423 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.222 423 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.222 423 G C 1.342 175.924 174.900 -0.531 0.000 1.109 423 G CA 0.797 45.316 45.100 -0.967 0.000 0.746 423 G HN 0.397 nan 8.290 nan 0.000 0.576 424 E N -0.228 119.923 120.200 -0.081 0.000 2.051 424 E HA -0.025 4.324 4.350 -0.001 0.000 0.189 424 E C 2.780 179.385 176.600 0.008 0.000 0.979 424 E CA 0.129 56.571 56.400 0.070 0.000 0.803 424 E CB -0.018 29.762 29.700 0.132 0.000 0.761 424 E HN 0.183 nan 8.360 nan 0.000 0.451 425 R N 0.576 121.064 120.500 -0.021 0.000 2.152 425 R HA -0.068 4.272 4.340 -0.001 0.000 0.232 425 R C 2.344 178.619 176.300 -0.042 0.000 1.117 425 R CA 0.598 56.681 56.100 -0.029 0.000 0.981 425 R CB -0.474 29.800 30.300 -0.044 0.000 0.870 425 R HN 0.248 nan 8.270 nan 0.000 0.451 426 L N -0.002 121.169 121.223 -0.086 0.000 2.068 426 L HA -0.083 4.256 4.340 -0.001 0.000 0.204 426 L C 2.247 179.086 176.870 -0.051 0.000 1.076 426 L CA 1.435 56.214 54.840 -0.102 0.000 0.753 426 L CB -0.619 41.323 42.059 -0.196 0.000 0.910 426 L HN 0.128 nan 8.230 nan 0.000 0.439 427 T N -1.666 112.866 114.554 -0.036 0.000 2.821 427 T HA -0.168 4.181 4.350 -0.001 0.000 0.267 427 T C 1.856 176.577 174.700 0.034 0.000 1.046 427 T CA 0.731 62.845 62.100 0.025 0.000 1.139 427 T CB -0.174 68.743 68.868 0.082 0.000 0.871 427 T HN 0.207 nan 8.240 nan 0.000 0.454 428 Q N 0.452 120.269 119.800 0.029 0.000 2.297 428 Q HA -0.025 4.314 4.340 -0.001 0.000 0.208 428 Q C 2.224 178.246 176.000 0.037 0.000 0.981 428 Q CA 0.860 56.682 55.803 0.032 0.000 0.876 428 Q CB -0.404 28.351 28.738 0.028 0.000 0.921 428 Q HN 0.430 nan 8.270 nan 0.000 0.446 429 L N -0.721 120.519 121.223 0.029 0.000 2.307 429 L HA 0.025 4.364 4.340 -0.001 0.000 0.211 429 L C 1.824 178.720 176.870 0.045 0.000 1.099 429 L CA 1.014 55.880 54.840 0.043 0.000 0.816 429 L CB -0.130 41.946 42.059 0.028 0.000 0.952 429 L HN 0.072 nan 8.230 nan 0.000 0.455 430 L N -0.523 120.721 121.223 0.035 0.000 2.291 430 L HA -0.047 4.292 4.340 -0.001 0.000 0.214 430 L C 0.984 177.879 176.870 0.042 0.000 1.120 430 L CA 0.205 55.068 54.840 0.039 0.000 0.799 430 L CB -0.564 41.519 42.059 0.039 0.000 0.925 430 L HN 0.075 nan 8.230 nan 0.000 0.446 431 K N 1.972 122.396 120.400 0.040 0.000 2.440 431 K HA -0.080 4.239 4.320 -0.001 0.000 0.275 431 K C 0.015 176.634 176.600 0.032 0.000 1.082 431 K CA 0.663 56.970 56.287 0.032 0.000 1.135 431 K CB 0.092 32.608 32.500 0.027 0.000 0.864 431 K HN 0.125 nan 8.250 nan 0.000 0.479 432 Q N 3.358 123.173 119.800 0.026 0.000 2.309 432 Q HA 0.165 4.504 4.340 -0.001 0.000 0.270 432 Q C -1.033 174.976 176.000 0.014 0.000 1.023 432 Q CA -0.818 55.000 55.803 0.025 0.000 0.758 432 Q CB 1.060 29.814 28.738 0.026 0.000 1.247 432 Q HN 0.475 nan 8.270 nan 0.000 0.455 433 N N 2.636 121.348 118.700 0.021 0.000 2.454 433 N HA -0.027 4.712 4.740 -0.001 0.000 0.254 433 N C -0.441 175.078 175.510 0.015 0.000 1.228 433 N CA 0.235 53.298 53.050 0.023 0.000 0.900 433 N CB 0.758 39.271 38.487 0.043 0.000 1.089 433 N HN 0.630 nan 8.380 nan 0.000 0.449 434 Q N 0.858 120.650 119.800 -0.013 0.000 2.432 434 Q HA -0.068 4.271 4.340 -0.001 0.000 0.264 434 Q C -0.392 175.583 176.000 -0.042 0.000 1.035 434 Q CA 0.152 55.854 55.803 -0.167 0.000 0.908 434 Q CB 0.208 28.745 28.738 -0.335 0.000 1.280 434 Q HN 0.596 nan 8.270 nan 0.000 0.455 435 Y N -0.538 119.777 120.300 0.026 0.000 3.929 435 Y HA -0.242 4.308 4.550 -0.001 0.000 0.225 435 Y C -0.336 175.598 175.900 0.057 0.000 1.200 435 Y CA 0.655 58.778 58.100 0.038 0.000 1.791 435 Y CB -2.178 36.329 38.460 0.078 0.000 1.561 435 Y HN 0.310 nan 8.280 nan 0.000 0.657 436 S N 0.855 116.622 115.700 0.111 0.000 2.328 436 S HA 0.397 4.866 4.470 -0.001 0.000 0.204 436 S C -2.552 172.088 174.600 0.066 0.000 1.475 436 S CA -1.116 57.137 58.200 0.088 0.000 1.148 436 S CB 0.943 64.183 63.200 0.067 0.000 1.077 436 S HN -0.006 nan 8.310 nan 0.000 0.479 437 P HA 0.299 nan 4.420 nan 0.000 0.284 437 P C -0.520 176.816 177.300 0.060 0.000 1.343 437 P CA -0.316 62.829 63.100 0.074 0.000 0.826 437 P CB 0.440 32.197 31.700 0.096 0.000 0.956 438 L N 2.439 123.696 121.223 0.056 0.000 2.375 438 L HA 0.556 4.896 4.340 -0.001 0.000 0.271 438 L C 0.909 177.814 176.870 0.057 0.000 1.107 438 L CA -0.701 54.165 54.840 0.044 0.000 0.806 438 L CB 0.989 43.074 42.059 0.043 0.000 1.146 438 L HN 0.338 nan 8.230 nan 0.000 0.447 439 A N 1.925 124.763 122.820 0.030 0.000 2.286 439 A HA 0.351 4.670 4.320 -0.001 0.000 0.286 439 A C 1.105 178.722 177.584 0.055 0.000 1.097 439 A CA -0.321 51.741 52.037 0.042 0.000 0.821 439 A CB 0.782 19.768 19.000 -0.023 0.000 1.076 439 A HN 0.858 nan 8.150 nan 0.000 0.490 440 T N 1.072 115.678 114.554 0.087 0.000 2.635 440 T HA -0.181 4.168 4.350 -0.001 0.000 0.267 440 T C 1.783 176.510 174.700 0.045 0.000 1.040 440 T CA 1.981 64.127 62.100 0.075 0.000 1.156 440 T CB -0.302 68.622 68.868 0.093 0.000 0.863 440 T HN 0.881 nan 8.240 nan 0.000 0.430 441 E N 1.861 122.076 120.200 0.025 0.000 2.273 441 E HA -0.234 4.116 4.350 -0.001 0.000 0.198 441 E C 1.541 178.131 176.600 -0.017 0.000 1.002 441 E CA 1.341 57.739 56.400 -0.003 0.000 0.828 441 E CB -0.383 29.302 29.700 -0.026 0.000 0.747 441 E HN 0.654 nan 8.360 nan 0.000 0.491 442 E N 0.452 120.646 120.200 -0.009 0.000 2.250 442 E HA -0.031 4.318 4.350 -0.001 0.000 0.192 442 E C 2.168 178.791 176.600 0.037 0.000 0.986 442 E CA 0.368 56.759 56.400 -0.015 0.000 0.849 442 E CB 0.041 29.727 29.700 -0.024 0.000 0.797 442 E HN 0.366 nan 8.360 nan 0.000 0.482 443 Q N 0.626 120.456 119.800 0.050 0.000 2.062 443 Q HA -0.098 4.241 4.340 -0.001 0.000 0.196 443 Q C 2.598 178.650 176.000 0.087 0.000 0.967 443 Q CA 1.527 57.372 55.803 0.070 0.000 0.832 443 Q CB -0.106 28.668 28.738 0.061 0.000 0.899 443 Q HN 0.229 nan 8.270 nan 0.000 0.442 444 V N -0.439 119.521 119.914 0.077 0.000 2.317 444 V HA -0.208 3.911 4.120 -0.001 0.000 0.251 444 V C -0.857 175.319 176.094 0.138 0.000 1.065 444 V CA 1.621 63.978 62.300 0.095 0.000 1.049 444 V CB -2.360 29.507 31.823 0.073 0.000 0.651 444 V HN 0.230 nan 8.190 nan 0.000 0.450 445 P HA 0.025 nan 4.420 nan 0.000 0.222 445 P C 1.949 179.409 177.300 0.268 0.000 1.153 445 P CA 1.119 64.325 63.100 0.178 0.000 0.798 445 P CB -0.119 31.736 31.700 0.259 0.000 0.796 446 L N -1.416 119.952 121.223 0.241 0.000 2.109 446 L HA -0.057 4.282 4.340 -0.001 0.000 0.207 446 L C 2.343 179.297 176.870 0.139 0.000 1.086 446 L CA 1.234 56.199 54.840 0.208 0.000 0.760 446 L CB -0.938 41.235 42.059 0.189 0.000 0.910 446 L HN -0.084 nan 8.230 nan 0.000 0.437 447 I N -1.340 119.303 120.570 0.122 0.000 2.252 447 I HA -0.292 3.877 4.170 -0.001 0.000 0.245 447 I C 2.551 178.717 176.117 0.082 0.000 1.102 447 I CA 1.206 62.547 61.300 0.069 0.000 1.385 447 I CB -0.511 37.520 38.000 0.052 0.000 1.064 447 I HN 0.056 nan 8.210 nan 0.000 0.414 448 Y N 2.012 122.313 120.300 0.001 0.000 1.956 448 Y HA -0.442 4.107 4.550 -0.002 0.000 0.258 448 Y C 2.699 178.587 175.900 -0.019 0.000 1.152 448 Y CA 2.239 60.331 58.100 -0.014 0.000 1.093 448 Y CB -0.541 37.907 38.460 -0.021 0.000 0.945 448 Y HN 0.140 nan 8.280 nan 0.000 0.488 449 A N -0.133 122.818 122.820 0.218 0.000 2.084 449 A HA -0.158 4.161 4.320 -0.001 0.000 0.221 449 A C 2.353 179.969 177.584 0.053 0.000 1.161 449 A CA 1.776 53.883 52.037 0.117 0.000 0.653 449 A CB -1.707 17.296 19.000 0.005 0.000 0.802 449 A HN 0.700 nan 8.150 nan 0.000 0.457 450 G N -0.611 108.198 108.800 0.015 0.000 2.434 450 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.214 450 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.214 450 G C 1.357 176.184 174.900 -0.122 0.000 1.202 450 G CA 1.328 46.394 45.100 -0.057 0.000 0.788 450 G HN 0.433 nan 8.290 nan 0.000 0.539 451 V N 1.159 120.987 119.914 -0.143 0.000 3.129 451 V HA 0.017 4.136 4.120 -0.001 0.000 0.259 451 V C 1.905 177.915 176.094 -0.141 0.000 1.116 451 V CA 0.974 63.152 62.300 -0.204 0.000 1.127 451 V CB -0.277 31.417 31.823 -0.216 0.000 0.742 451 V HN 0.315 nan 8.190 nan 0.000 0.474 452 N N 0.693 119.335 118.700 -0.097 0.000 2.299 452 N HA 0.093 4.832 4.740 -0.001 0.000 0.187 452 N C 1.533 177.039 175.510 -0.006 0.000 1.099 452 N CA 0.901 53.923 53.050 -0.047 0.000 0.867 452 N CB 0.820 39.281 38.487 -0.043 0.000 0.974 452 N HN 0.577 nan 8.380 nan 0.000 0.477 453 G N 1.399 110.194 108.800 -0.007 0.000 2.273 453 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.280 453 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.280 453 G C 0.251 175.100 174.900 -0.085 0.000 1.047 453 G CA 0.377 45.445 45.100 -0.054 0.000 0.869 453 G HN 0.495 nan 8.290 nan 0.000 0.502 454 H N -0.973 118.039 119.070 -0.096 0.000 2.555 454 H HA 0.323 4.878 4.556 -0.001 0.000 0.269 454 H C 2.345 177.555 175.328 -0.197 0.000 0.988 454 H CA 1.368 57.349 56.048 -0.112 0.000 1.178 454 H CB 0.183 29.900 29.762 -0.074 0.000 1.373 454 H HN 0.528 nan 8.280 nan 0.000 0.588 455 L N -1.297 119.856 121.223 -0.117 0.000 2.858 455 L HA 0.184 4.523 4.340 -0.001 0.000 0.251 455 L C 0.875 177.640 176.870 -0.174 0.000 1.149 455 L CA 0.016 54.715 54.840 -0.236 0.000 0.955 455 L CB 0.602 42.489 42.059 -0.286 0.000 1.289 455 L HN 0.007 nan 8.230 nan 0.000 0.542 456 D N 1.359 121.686 120.400 -0.122 0.000 2.149 456 D HA -0.157 4.483 4.640 -0.001 0.000 0.198 456 D C 2.187 178.433 176.300 -0.090 0.000 0.990 456 D CA 1.610 55.556 54.000 -0.090 0.000 0.839 456 D CB -0.002 40.756 40.800 -0.070 0.000 0.948 456 D HN 0.355 nan 8.370 nan 0.000 0.460 457 G N -0.365 108.371 108.800 -0.108 0.000 2.848 457 G HA2 0.039 3.999 3.960 -0.001 0.000 0.208 457 G HA3 0.039 3.999 3.960 -0.001 0.000 0.208 457 G C 0.512 175.344 174.900 -0.115 0.000 1.152 457 G CA -0.159 44.881 45.100 -0.100 0.000 0.789 457 G HN 0.195 nan 8.290 nan 0.000 0.531 458 I N 1.045 121.525 120.570 -0.149 0.000 2.365 458 I HA 0.153 4.322 4.170 -0.001 0.000 0.291 458 I C 0.142 176.199 176.117 -0.101 0.000 1.004 458 I CA -0.634 60.572 61.300 -0.157 0.000 1.311 458 I CB 1.468 39.307 38.000 -0.268 0.000 1.401 458 I HN 0.093 nan 8.210 nan 0.000 0.491 459 E N 4.090 124.249 120.200 -0.070 0.000 2.437 459 E HA -0.085 4.264 4.350 -0.001 0.000 0.263 459 E C 0.661 177.245 176.600 -0.027 0.000 1.030 459 E CA -0.358 56.018 56.400 -0.040 0.000 0.934 459 E CB 0.722 30.405 29.700 -0.027 0.000 0.943 459 E HN 0.418 nan 8.360 nan 0.000 0.444 460 L N 2.884 124.098 121.223 -0.015 0.000 2.127 460 L HA -0.170 4.169 4.340 -0.001 0.000 0.211 460 L C 1.973 178.847 176.870 0.008 0.000 1.089 460 L CA 2.047 56.886 54.840 -0.002 0.000 0.757 460 L CB -0.801 41.262 42.059 0.007 0.000 0.899 460 L HN 0.574 nan 8.230 nan 0.000 0.434 461 S N -2.010 113.694 115.700 0.006 0.000 2.660 461 S HA 0.134 4.604 4.470 -0.001 0.000 0.227 461 S C 1.278 175.891 174.600 0.021 0.000 0.948 461 S CA -0.281 57.926 58.200 0.013 0.000 0.948 461 S CB -0.189 63.016 63.200 0.008 0.000 0.779 461 S HN 0.449 nan 8.310 nan 0.000 0.487 462 R N -0.071 120.442 120.500 0.022 0.000 2.600 462 R HA 0.373 4.712 4.340 -0.001 0.000 0.392 462 R C 0.373 176.720 176.300 0.077 0.000 1.032 462 R CA -0.254 55.873 56.100 0.043 0.000 1.139 462 R CB 0.206 30.517 30.300 0.020 0.000 1.400 462 R HN 0.314 nan 8.270 nan 0.000 0.566 463 I N 0.051 120.659 120.570 0.064 0.000 2.188 463 I HA -0.037 4.132 4.170 -0.001 0.000 0.237 463 I C 2.382 178.597 176.117 0.164 0.000 1.073 463 I CA 1.718 63.071 61.300 0.088 0.000 1.359 463 I CB -1.267 36.760 38.000 0.044 0.000 1.083 463 I HN 0.209 nan 8.210 nan 0.000 0.412 464 G N 0.019 108.887 108.800 0.113 0.000 2.443 464 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.219 464 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.219 464 G C 1.592 176.560 174.900 0.112 0.000 1.131 464 G CA 0.451 45.615 45.100 0.107 0.000 0.775 464 G HN 0.462 nan 8.290 nan 0.000 0.547 465 E N -0.186 120.083 120.200 0.115 0.000 2.077 465 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 465 E C 2.023 178.713 176.600 0.150 0.000 0.989 465 E CA 0.714 57.179 56.400 0.108 0.000 0.800 465 E CB -0.239 29.515 29.700 0.090 0.000 0.746 465 E HN 0.437 nan 8.360 nan 0.000 0.452 466 F N 2.010 121.995 119.950 0.058 0.000 2.216 466 F HA -0.130 4.397 4.527 -0.001 0.000 0.300 466 F C 2.136 178.043 175.800 0.178 0.000 1.085 466 F CA 1.764 59.820 58.000 0.094 0.000 1.326 466 F CB -0.182 38.839 39.000 0.035 0.000 1.027 466 F HN 0.039 nan 8.300 nan 0.000 0.497 467 E N 0.253 120.487 120.200 0.057 0.000 2.130 467 E HA -0.281 4.068 4.350 -0.001 0.000 0.196 467 E C 2.200 178.766 176.600 -0.055 0.000 0.998 467 E CA 1.900 58.304 56.400 0.006 0.000 0.806 467 E CB -0.233 29.527 29.700 0.100 0.000 0.738 467 E HN 0.584 nan 8.360 nan 0.000 0.459 468 S N -0.564 115.121 115.700 -0.024 0.000 2.395 468 S HA -0.044 4.425 4.470 -0.001 0.000 0.225 468 S C 2.162 176.750 174.600 -0.020 0.000 1.027 468 S CA 1.006 59.197 58.200 -0.015 0.000 0.965 468 S CB -0.017 63.193 63.200 0.016 0.000 0.812 468 S HN 0.139 nan 8.310 nan 0.000 0.482 469 S N 1.416 117.110 115.700 -0.009 0.000 2.383 469 S HA 0.071 4.540 4.470 -0.001 0.000 0.227 469 S C 1.386 176.106 174.600 0.201 0.000 1.026 469 S CA 1.066 59.346 58.200 0.133 0.000 0.981 469 S CB -0.565 62.758 63.200 0.205 0.000 0.818 469 S HN 0.561 nan 8.310 nan 0.000 0.472 470 F N 2.045 121.804 119.950 -0.318 0.000 2.206 470 F HA 0.143 4.670 4.527 -0.000 0.000 0.298 470 F C 1.698 177.359 175.800 -0.232 0.000 1.090 470 F CA 0.668 58.450 58.000 -0.364 0.000 1.323 470 F CB -0.531 38.011 39.000 -0.763 0.000 1.028 470 F HN 0.071 nan 8.300 nan 0.000 0.492 471 L N -0.791 120.248 121.223 -0.306 0.000 2.141 471 L HA -0.172 4.167 4.340 -0.001 0.000 0.209 471 L C 2.515 179.221 176.870 -0.273 0.000 1.094 471 L CA 1.195 55.827 54.840 -0.347 0.000 0.763 471 L CB -0.702 41.240 42.059 -0.195 0.000 0.908 471 L HN 0.003 nan 8.230 nan 0.000 0.437 472 S N -1.202 114.396 115.700 -0.170 0.000 2.382 472 S HA -0.244 4.225 4.470 -0.001 0.000 0.228 472 S C 1.843 176.342 174.600 -0.168 0.000 1.027 472 S CA 1.340 59.470 58.200 -0.117 0.000 0.991 472 S CB -0.364 62.825 63.200 -0.019 0.000 0.823 472 S HN 0.483 nan 8.310 nan 0.000 0.469 473 Y N 1.758 121.791 120.300 -0.445 0.000 2.263 473 Y HA 0.079 4.629 4.550 -0.001 0.000 0.292 473 Y C 1.717 177.340 175.900 -0.461 0.000 1.130 473 Y CA 1.112 58.846 58.100 -0.610 0.000 1.179 473 Y CB -0.291 37.315 38.460 -1.423 0.000 0.998 473 Y HN 0.142 nan 8.280 nan 0.000 0.532 474 L N -0.092 120.706 121.223 -0.709 0.000 2.270 474 L HA -0.081 4.258 4.340 -0.001 0.000 0.210 474 L C 2.212 178.835 176.870 -0.413 0.000 1.104 474 L CA 0.844 55.283 54.840 -0.669 0.000 0.804 474 L CB -0.351 41.272 42.059 -0.727 0.000 0.937 474 L HN 0.071 nan 8.230 nan 0.000 0.450 475 K N -0.029 120.172 120.400 -0.331 0.000 2.362 475 K HA -0.053 4.266 4.320 -0.001 0.000 0.200 475 K C 1.417 177.903 176.600 -0.189 0.000 1.046 475 K CA 1.427 57.578 56.287 -0.226 0.000 0.952 475 K CB 0.089 32.481 32.500 -0.181 0.000 0.753 475 K HN 0.341 nan 8.250 nan 0.000 0.466 476 S N -1.516 114.060 115.700 -0.207 0.000 2.900 476 S HA 0.220 4.689 4.470 -0.001 0.000 0.253 476 S C 0.465 174.953 174.600 -0.188 0.000 1.029 476 S CA -0.696 57.405 58.200 -0.164 0.000 1.096 476 S CB 0.132 63.259 63.200 -0.121 0.000 1.067 476 S HN 0.198 nan 8.310 nan 0.000 0.610 477 N N 0.987 119.532 118.700 -0.258 0.000 3.189 477 N HA 0.179 4.918 4.740 -0.001 0.000 0.204 477 N C -0.249 175.074 175.510 -0.312 0.000 1.231 477 N CA -0.488 52.390 53.050 -0.287 0.000 1.130 477 N CB 0.049 38.318 38.487 -0.363 0.000 1.393 477 N HN 0.215 nan 8.380 nan 0.000 0.540 478 H N 1.653 120.514 119.070 -0.349 0.000 3.268 478 H HA 0.084 4.639 4.556 -0.001 0.000 0.213 478 H C 0.166 175.355 175.328 -0.233 0.000 1.858 478 H CA 0.100 55.990 56.048 -0.263 0.000 1.386 478 H CB -0.235 29.358 29.762 -0.281 0.000 1.734 478 H HN 0.360 nan 8.280 nan 0.000 0.612 479 N N 1.272 119.885 118.700 -0.145 0.000 2.216 479 N HA -0.144 4.596 4.740 -0.001 0.000 0.183 479 N C 1.575 177.025 175.510 -0.099 0.000 1.017 479 N CA 0.905 53.877 53.050 -0.130 0.000 0.861 479 N CB 0.408 38.818 38.487 -0.128 0.000 0.986 479 N HN 0.266 nan 8.380 nan 0.000 0.428 480 E N 0.032 120.178 120.200 -0.089 0.000 2.204 480 E HA -0.019 4.330 4.350 -0.001 0.000 0.194 480 E C 1.783 178.353 176.600 -0.050 0.000 0.989 480 E CA 0.480 56.841 56.400 -0.066 0.000 0.824 480 E CB -0.094 29.569 29.700 -0.062 0.000 0.756 480 E HN 0.402 nan 8.360 nan 0.000 0.477 481 L N -0.188 121.009 121.223 -0.043 0.000 2.042 481 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 481 L C 2.122 178.959 176.870 -0.056 0.000 1.076 481 L CA 1.043 55.860 54.840 -0.039 0.000 0.749 481 L CB -0.603 41.436 42.059 -0.035 0.000 0.893 481 L HN 0.193 nan 8.230 nan 0.000 0.432 482 L N -0.728 120.449 121.223 -0.077 0.000 2.056 482 L HA -0.138 4.201 4.340 -0.001 0.000 0.207 482 L C 2.637 179.472 176.870 -0.059 0.000 1.078 482 L CA 1.431 56.224 54.840 -0.079 0.000 0.749 482 L CB -0.891 41.103 42.059 -0.107 0.000 0.901 482 L HN 0.196 nan 8.230 nan 0.000 0.433 483 T N -0.992 113.527 114.554 -0.058 0.000 2.777 483 T HA -0.167 4.183 4.350 -0.001 0.000 0.266 483 T C 1.753 176.434 174.700 -0.031 0.000 1.040 483 T CA 1.349 63.420 62.100 -0.048 0.000 1.141 483 T CB -0.146 68.691 68.868 -0.051 0.000 0.868 483 T HN 0.373 nan 8.240 nan 0.000 0.444 484 E N 0.405 120.589 120.200 -0.026 0.000 2.158 484 E HA 0.084 4.434 4.350 -0.001 0.000 0.191 484 E C 2.012 178.610 176.600 -0.003 0.000 0.982 484 E CA 0.513 56.905 56.400 -0.013 0.000 0.823 484 E CB -0.133 29.560 29.700 -0.012 0.000 0.766 484 E HN 0.473 nan 8.360 nan 0.000 0.468 485 I N 0.598 121.164 120.570 -0.006 0.000 2.676 485 I HA -0.156 4.013 4.170 -0.001 0.000 0.259 485 I C 2.477 178.603 176.117 0.016 0.000 1.194 485 I CA 0.628 61.932 61.300 0.007 0.000 1.473 485 I CB -0.058 37.943 38.000 0.002 0.000 1.096 485 I HN -0.023 nan 8.210 nan 0.000 0.443 486 R N 0.706 121.209 120.500 0.004 0.000 2.200 486 R HA -0.041 4.298 4.340 -0.001 0.000 0.208 486 R C 1.744 178.057 176.300 0.021 0.000 1.033 486 R CA 0.812 56.919 56.100 0.011 0.000 1.000 486 R CB 0.268 30.556 30.300 -0.021 0.000 0.906 486 R HN 0.406 nan 8.270 nan 0.000 0.462 487 E N -0.365 119.842 120.200 0.012 0.000 2.079 487 E HA -0.028 4.321 4.350 -0.001 0.000 0.191 487 E C 1.762 178.378 176.600 0.026 0.000 0.961 487 E CA 0.647 57.056 56.400 0.016 0.000 0.823 487 E CB 0.286 29.988 29.700 0.004 0.000 0.789 487 E HN 0.065 nan 8.360 nan 0.000 0.459 488 K N -0.726 119.687 120.400 0.022 0.000 1.995 488 K HA -0.009 4.310 4.320 -0.001 0.000 0.207 488 K C 1.217 177.837 176.600 0.034 0.000 1.041 488 K CA 1.080 57.382 56.287 0.025 0.000 0.942 488 K CB 0.094 32.605 32.500 0.020 0.000 0.731 488 K HN 0.296 nan 8.250 nan 0.000 0.439 489 G N 1.291 110.111 108.800 0.034 0.000 2.175 489 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.244 489 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.244 489 G C -0.152 174.769 174.900 0.035 0.000 0.982 489 G CA 0.353 45.477 45.100 0.040 0.000 0.641 489 G HN 0.388 nan 8.290 nan 0.000 0.527 490 E N -0.875 119.343 120.200 0.030 0.000 2.259 490 E HA 0.795 5.144 4.350 -0.001 0.000 0.257 490 E C -0.405 176.213 176.600 0.031 0.000 0.998 490 E CA -0.921 55.496 56.400 0.029 0.000 0.866 490 E CB 1.598 31.313 29.700 0.024 0.000 1.220 490 E HN 0.188 nan 8.360 nan 0.000 0.415 491 L N 1.336 122.580 121.223 0.034 0.000 2.439 491 L HA 0.270 4.609 4.340 -0.001 0.000 0.270 491 L C -0.285 176.608 176.870 0.038 0.000 0.972 491 L CA -0.668 54.196 54.840 0.040 0.000 0.836 491 L CB 1.923 44.016 42.059 0.057 0.000 1.255 491 L HN 0.544 nan 8.230 nan 0.000 0.404 492 S N 1.126 116.847 115.700 0.034 0.000 2.632 492 S HA 0.320 4.789 4.470 -0.001 0.000 0.267 492 S C 0.735 175.361 174.600 0.043 0.000 1.276 492 S CA -0.867 57.353 58.200 0.033 0.000 0.998 492 S CB 1.483 64.699 63.200 0.026 0.000 0.953 492 S HN 0.583 nan 8.310 nan 0.000 0.547 493 K N 0.230 120.655 120.400 0.041 0.000 2.442 493 K HA -0.118 4.201 4.320 -0.001 0.000 0.198 493 K C 1.871 178.501 176.600 0.050 0.000 1.044 493 K CA 1.123 57.440 56.287 0.049 0.000 0.948 493 K CB -0.140 32.385 32.500 0.041 0.000 0.762 493 K HN 0.772 nan 8.250 nan 0.000 0.472 494 E N 1.233 121.457 120.200 0.040 0.000 2.072 494 E HA -0.174 4.175 4.350 -0.001 0.000 0.191 494 E C 1.520 178.144 176.600 0.039 0.000 0.985 494 E CA 1.155 57.577 56.400 0.036 0.000 0.801 494 E CB -0.121 29.595 29.700 0.026 0.000 0.750 494 E HN 0.071 nan 8.360 nan 0.000 0.452 495 L N 0.138 121.384 121.223 0.038 0.000 2.509 495 L HA 0.206 4.545 4.340 -0.001 0.000 0.222 495 L C 1.953 178.847 176.870 0.040 0.000 1.123 495 L CA 0.627 55.486 54.840 0.031 0.000 0.856 495 L CB -0.359 41.712 42.059 0.020 0.000 0.985 495 L HN 0.325 nan 8.230 nan 0.000 0.456 496 L N -0.237 121.036 121.223 0.082 0.000 1.988 496 L HA -0.105 4.234 4.340 -0.001 0.000 0.207 496 L C 2.437 179.402 176.870 0.159 0.000 1.071 496 L CA 2.129 57.063 54.840 0.158 0.000 0.744 496 L CB -0.674 41.478 42.059 0.156 0.000 0.893 496 L HN 0.164 nan 8.230 nan 0.000 0.433 497 A N -1.687 121.203 122.820 0.118 0.000 2.014 497 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 497 A C 2.467 180.101 177.584 0.082 0.000 1.163 497 A CA 1.506 53.609 52.037 0.109 0.000 0.652 497 A CB -0.951 18.102 19.000 0.088 0.000 0.808 497 A HN 0.551 nan 8.150 nan 0.000 0.449 498 S N -1.058 114.680 115.700 0.062 0.000 2.419 498 S HA -0.094 4.376 4.470 -0.001 0.000 0.233 498 S C 1.690 176.311 174.600 0.034 0.000 1.016 498 S CA 1.504 59.743 58.200 0.066 0.000 0.974 498 S CB -0.273 62.961 63.200 0.055 0.000 0.786 498 S HN 0.463 nan 8.310 nan 0.000 0.492 499 L N 0.976 122.161 121.223 -0.064 0.000 2.408 499 L HA 0.458 4.797 4.340 -0.001 0.000 0.215 499 L C 1.783 178.509 176.870 -0.240 0.000 1.081 499 L CA 1.166 55.863 54.840 -0.237 0.000 0.840 499 L CB -0.448 41.362 42.059 -0.416 0.000 1.002 499 L HN 0.061 nan 8.230 nan 0.000 0.468 500 K N -1.232 119.141 120.400 -0.044 0.000 2.574 500 K HA 0.023 4.342 4.320 -0.001 0.000 0.193 500 K C 1.421 178.091 176.600 0.116 0.000 1.035 500 K CA 0.719 57.086 56.287 0.134 0.000 0.982 500 K CB 0.151 32.826 32.500 0.292 0.000 0.795 500 K HN 0.290 nan 8.250 nan 0.000 0.491 501 S N -0.727 115.012 115.700 0.065 0.000 2.497 501 S HA 0.112 4.581 4.470 -0.001 0.000 0.221 501 S C 1.476 176.128 174.600 0.088 0.000 1.037 501 S CA 0.334 58.597 58.200 0.104 0.000 0.920 501 S CB 0.659 63.942 63.200 0.139 0.000 0.800 501 S HN 0.399 nan 8.310 nan 0.000 0.505 502 A N 1.120 123.889 122.820 -0.084 0.000 2.208 502 A HA 0.113 4.432 4.320 -0.001 0.000 0.209 502 A C 1.847 179.570 177.584 0.231 0.000 1.161 502 A CA 1.054 53.000 52.037 -0.151 0.000 0.782 502 A CB -0.486 17.948 19.000 -0.942 0.000 0.816 502 A HN 0.422 nan 8.150 nan 0.000 0.477 503 T N -0.923 113.687 114.554 0.094 0.000 2.980 503 T HA 0.017 4.366 4.350 -0.001 0.000 0.239 503 T C 1.651 176.413 174.700 0.104 0.000 1.011 503 T CA 1.042 63.158 62.100 0.027 0.000 1.171 503 T CB -0.132 68.559 68.868 -0.296 0.000 0.873 503 T HN 0.505 nan 8.240 nan 0.000 0.431 504 E N 1.216 121.529 120.200 0.188 0.000 2.347 504 E HA -0.040 4.309 4.350 -0.001 0.000 0.196 504 E C 2.231 178.907 176.600 0.126 0.000 1.008 504 E CA 0.456 56.977 56.400 0.201 0.000 0.852 504 E CB -0.014 29.817 29.700 0.219 0.000 0.783 504 E HN 0.339 nan 8.360 nan 0.000 0.505 505 S N -0.059 115.733 115.700 0.152 0.000 2.348 505 S HA -0.178 4.291 4.470 -0.001 0.000 0.221 505 S C 1.626 176.289 174.600 0.105 0.000 1.033 505 S CA 0.932 59.224 58.200 0.153 0.000 1.010 505 S CB -0.228 63.126 63.200 0.257 0.000 0.891 505 S HN 0.343 nan 8.310 nan 0.000 0.442 506 F N 1.799 121.636 119.950 -0.189 0.000 2.558 506 F HA 0.227 4.754 4.527 -0.000 0.000 0.298 506 F C 1.975 177.714 175.800 -0.100 0.000 1.119 506 F CA 0.034 57.854 58.000 -0.300 0.000 1.451 506 F CB -0.300 38.437 39.000 -0.437 0.000 1.091 506 F HN 0.068 nan 8.300 nan 0.000 0.563 507 V N -0.428 119.463 119.914 -0.038 0.000 2.626 507 V HA -0.225 3.894 4.120 -0.001 0.000 0.252 507 V C 2.465 178.485 176.094 -0.123 0.000 1.067 507 V CA 1.619 63.843 62.300 -0.126 0.000 1.081 507 V CB -1.234 30.547 31.823 -0.070 0.000 0.686 507 V HN 0.349 nan 8.190 nan 0.000 0.468 508 A N -1.074 121.703 122.820 -0.071 0.000 1.887 508 A HA -0.066 4.253 4.320 -0.001 0.000 0.212 508 A C 2.121 179.656 177.584 -0.081 0.000 1.198 508 A CA 1.488 53.491 52.037 -0.057 0.000 0.628 508 A CB -0.375 18.620 19.000 -0.008 0.000 0.847 508 A HN 0.391 nan 8.150 nan 0.000 0.449 509 T N -0.845 113.658 114.554 -0.085 0.000 3.327 509 T HA 0.515 4.864 4.350 -0.001 0.000 0.241 509 T C -0.414 174.080 174.700 -0.344 0.000 0.907 509 T CA 0.660 62.704 62.100 -0.094 0.000 0.931 509 T CB -1.661 67.241 68.868 0.057 0.000 1.112 509 T HN 0.931 nan 8.240 nan 0.000 0.589 510 F N 0.000 119.687 119.950 -0.439 0.000 2.286 510 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 510 F CA 0.000 nan 58.000 nan 0.000 1.383 510 F CB 0.000 nan 39.000 nan 0.000 1.145 510 F HN 0.000 nan 8.300 nan 0.000 0.574