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 2d1c_1_A DATA FIRST_RESID 2 DATA SEQUENCE PLITTETGKK MHVLEDGRKL ITVIPGDGIG PECVEATLKV LEAAKAPLAY DATA SEQUENCE EVREAGASVF RRGIASGVPQ ETIESIRKTR VVLKGPLETP VGYGEKSANV DATA SEQUENCE TLRKLFETYA NVRPVREFPN VPTPYAGRGI DLVVVRENVE DLYAGIEHMQ DATA SEQUENCE TPSVAQTLKL ISWKGSEKIV RFAFELARAE GRKKVHCATK SNIMKLAEGT DATA SEQUENCE LKRAFEQVAQ EYPDIEAVHI IVDNAAHQLV KRPEQFEVIV TTNMNGDILS DATA SEQUENCE DLTSGLIGGL GFAPSANIGN EVAIFEAVHG SAPKYAGKNV INPTAVLLSA DATA SEQUENCE VMMLRYLEEF ATADLIENAL LYTLEEGRVL TGDVVGYDRG AKTTEYTEAI DATA SEQUENCE IQNLGKTPRK TQVRGYKPFR LPQVDGAIAP IVPRSRRVVG VDVFVETNLL DATA SEQUENCE PEALGKALED LAAGTPFRLK MISNRGTQVY PPTGGLTDLV DHYRCRFLYT DATA SEQUENCE GEGEAKDPEI LDLVSRVASR FRWMHLEKLQ EFDGEPGFTK AQGED 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 176.917 177.300 -0.639 0.000 1.155 2 P CA 0.000 62.843 63.100 -0.428 0.000 0.800 2 P CB 0.000 31.596 31.700 -0.174 0.000 0.726 3 L N 1.728 122.741 121.223 -0.350 0.000 2.305 3 L HA 0.680 5.019 4.340 -0.000 0.000 0.281 3 L C -0.052 176.756 176.870 -0.103 0.000 1.085 3 L CA -0.236 54.496 54.840 -0.180 0.000 0.813 3 L CB 0.026 42.088 42.059 0.006 0.000 1.157 3 L HN 0.433 nan 8.230 nan 0.000 0.436 4 I N 0.299 120.823 120.570 -0.076 0.000 3.002 4 I HA 0.628 4.798 4.170 -0.000 0.000 0.310 4 I C -0.775 175.328 176.117 -0.024 0.000 1.087 4 I CA -0.579 60.691 61.300 -0.050 0.000 1.017 4 I CB 2.422 40.386 38.000 -0.061 0.000 1.226 4 I HN 0.420 nan 8.210 nan 0.000 0.443 5 T N 2.296 116.839 114.554 -0.017 0.000 2.772 5 T HA 0.390 4.740 4.350 -0.000 0.000 0.288 5 T C 0.263 174.950 174.700 -0.020 0.000 0.994 5 T CA -0.466 61.629 62.100 -0.009 0.000 0.951 5 T CB 1.062 69.933 68.868 0.005 0.000 0.933 5 T HN 0.873 nan 8.240 nan 0.000 0.447 6 T N 0.286 114.819 114.554 -0.035 0.000 2.766 6 T HA 0.214 4.563 4.350 -0.000 0.000 0.295 6 T C 1.301 175.986 174.700 -0.025 0.000 1.024 6 T CA -0.659 61.416 62.100 -0.041 0.000 1.018 6 T CB 0.854 69.677 68.868 -0.074 0.000 1.002 6 T HN 0.657 nan 8.240 nan 0.000 0.532 7 E N 0.054 120.244 120.200 -0.017 0.000 2.265 7 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 7 E C 1.702 178.302 176.600 -0.001 0.000 0.996 7 E CA 1.417 57.816 56.400 -0.003 0.000 0.832 7 E CB -0.414 29.288 29.700 0.005 0.000 0.756 7 E HN 0.888 nan 8.360 nan 0.000 0.491 8 T N -3.000 111.542 114.554 -0.019 0.000 3.118 8 T HA 0.201 4.551 4.350 -0.000 0.000 0.260 8 T C 1.470 176.156 174.700 -0.023 0.000 1.139 8 T CA 0.504 62.589 62.100 -0.025 0.000 1.085 8 T CB 0.410 69.239 68.868 -0.065 0.000 0.934 8 T HN 0.316 nan 8.240 nan 0.000 0.518 9 G N 1.292 110.081 108.800 -0.018 0.000 2.175 9 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 9 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 9 G C 0.016 174.915 174.900 -0.003 0.000 0.982 9 G CA -0.154 44.950 45.100 0.006 0.000 0.641 9 G HN 0.595 nan 8.290 nan 0.000 0.527 10 K N 0.820 121.181 120.400 -0.064 0.000 2.270 10 K HA 0.442 4.762 4.320 -0.000 0.000 0.276 10 K C 0.212 176.797 176.600 -0.025 0.000 1.023 10 K CA -0.153 56.085 56.287 -0.082 0.000 0.955 10 K CB 0.641 32.928 32.500 -0.355 0.000 0.975 10 K HN -0.038 nan 8.250 nan 0.000 0.471 11 K N 3.841 124.274 120.400 0.055 0.000 2.183 11 K HA 0.408 4.728 4.320 -0.000 0.000 0.274 11 K C -0.119 176.535 176.600 0.090 0.000 1.009 11 K CA -0.304 56.021 56.287 0.063 0.000 0.888 11 K CB 1.380 33.929 32.500 0.081 0.000 1.078 11 K HN 0.700 nan 8.250 nan 0.000 0.459 12 M N -0.039 119.593 119.600 0.055 0.000 2.471 12 M HA 0.267 4.747 4.480 -0.000 0.000 0.284 12 M C -1.170 175.163 176.300 0.055 0.000 1.203 12 M CA -0.899 54.447 55.300 0.075 0.000 0.915 12 M CB 2.036 34.666 32.600 0.050 0.000 1.734 12 M HN 0.462 nan 8.290 nan 0.000 0.485 13 H N 1.424 120.493 119.070 -0.002 0.000 2.820 13 H HA 0.602 5.158 4.556 -0.000 0.000 0.278 13 H C -1.508 173.802 175.328 -0.029 0.000 1.142 13 H CA -0.049 55.990 56.048 -0.015 0.000 1.346 13 H CB 0.749 30.500 29.762 -0.018 0.000 1.438 13 H HN 0.546 nan 8.280 nan 0.000 0.473 14 V N 7.544 127.386 119.914 -0.121 0.000 2.383 14 V HA 0.126 4.246 4.120 -0.000 0.000 0.275 14 V C 0.335 176.384 176.094 -0.074 0.000 1.036 14 V CA -0.644 61.616 62.300 -0.067 0.000 0.889 14 V CB 0.884 32.661 31.823 -0.077 0.000 0.985 14 V HN 0.669 nan 8.190 nan 0.000 0.459 15 L N 3.425 124.651 121.223 0.006 0.000 2.453 15 L HA 0.284 4.624 4.340 -0.000 0.000 0.261 15 L C 1.576 178.435 176.870 -0.018 0.000 1.179 15 L CA -0.507 54.343 54.840 0.017 0.000 0.813 15 L CB 0.567 42.645 42.059 0.032 0.000 1.110 15 L HN 0.560 nan 8.230 nan 0.000 0.466 16 E N 1.031 121.223 120.200 -0.014 0.000 2.114 16 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 16 E C 1.224 177.813 176.600 -0.019 0.000 1.008 16 E CA 1.821 58.210 56.400 -0.019 0.000 0.810 16 E CB -0.374 29.320 29.700 -0.011 0.000 0.739 16 E HN 0.771 nan 8.360 nan 0.000 0.456 17 D N -1.698 118.692 120.400 -0.017 0.000 2.371 17 D HA 0.085 4.725 4.640 -0.000 0.000 0.234 17 D C 1.248 177.532 176.300 -0.026 0.000 1.049 17 D CA 0.778 54.766 54.000 -0.020 0.000 0.907 17 D CB 0.013 40.801 40.800 -0.020 0.000 0.891 17 D HN 0.222 nan 8.370 nan 0.000 0.531 18 G N -0.112 108.670 108.800 -0.029 0.000 2.253 18 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.251 18 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.251 18 G C 0.477 175.352 174.900 -0.043 0.000 0.998 18 G CA -0.063 45.016 45.100 -0.035 0.000 0.621 18 G HN 0.444 nan 8.290 nan 0.000 0.524 19 R N 0.569 121.042 120.500 -0.045 0.000 2.694 19 R HA 0.475 4.815 4.340 -0.000 0.000 0.268 19 R C 0.043 176.310 176.300 -0.054 0.000 1.061 19 R CA 0.198 56.259 56.100 -0.065 0.000 1.133 19 R CB 0.403 30.652 30.300 -0.085 0.000 1.020 19 R HN 0.206 nan 8.270 nan 0.000 0.475 20 K N 2.059 122.415 120.400 -0.074 0.000 2.265 20 K HA 0.205 4.525 4.320 -0.000 0.000 0.267 20 K C -0.845 175.714 176.600 -0.069 0.000 0.994 20 K CA -0.719 55.543 56.287 -0.042 0.000 0.860 20 K CB 1.216 33.690 32.500 -0.043 0.000 1.099 20 K HN 0.167 nan 8.250 nan 0.000 0.448 21 L N 6.231 127.449 121.223 -0.007 0.000 2.319 21 L HA 0.406 4.746 4.340 -0.000 0.000 0.280 21 L C -0.549 176.292 176.870 -0.048 0.000 1.099 21 L CA 0.063 54.862 54.840 -0.068 0.000 0.828 21 L CB 0.180 42.180 42.059 -0.097 0.000 1.150 21 L HN 0.593 nan 8.230 nan 0.000 0.442 22 I N 0.472 121.010 120.570 -0.054 0.000 2.892 22 I HA 0.602 4.772 4.170 -0.000 0.000 0.306 22 I C -0.445 175.686 176.117 0.023 0.000 1.078 22 I CA -0.633 60.671 61.300 0.008 0.000 1.032 22 I CB 2.246 40.282 38.000 0.059 0.000 1.229 22 I HN 0.384 nan 8.210 nan 0.000 0.435 23 T N 3.261 117.819 114.554 0.008 0.000 2.837 23 T HA 0.544 4.894 4.350 -0.000 0.000 0.285 23 T C -0.295 174.422 174.700 0.028 0.000 0.984 23 T CA -0.367 61.731 62.100 -0.003 0.000 1.049 23 T CB 1.592 70.427 68.868 -0.055 0.000 0.947 23 T HN 0.401 nan 8.240 nan 0.000 0.472 24 V N 4.742 124.675 119.914 0.032 0.000 2.487 24 V HA 0.498 4.618 4.120 -0.000 0.000 0.298 24 V C -0.331 175.753 176.094 -0.016 0.000 1.028 24 V CA -0.782 61.527 62.300 0.015 0.000 0.860 24 V CB 1.632 33.457 31.823 0.004 0.000 0.991 24 V HN 0.794 nan 8.190 nan 0.000 0.427 25 I N 6.834 127.388 120.570 -0.026 0.000 2.390 25 I HA 0.302 4.472 4.170 -0.000 0.000 0.283 25 I C -1.751 174.343 176.117 -0.040 0.000 1.016 25 I CA -1.807 59.471 61.300 -0.037 0.000 1.151 25 I CB 2.314 40.290 38.000 -0.041 0.000 1.293 25 I HN 0.427 nan 8.210 nan 0.000 0.458 26 P HA -0.108 nan 4.420 nan 0.000 0.216 26 P C 0.856 178.136 177.300 -0.033 0.000 1.153 26 P CA 1.313 64.389 63.100 -0.039 0.000 0.858 26 P CB 0.226 31.902 31.700 -0.040 0.000 0.789 27 G N -1.075 107.699 108.800 -0.043 0.000 2.615 27 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 27 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 27 G C -1.241 173.636 174.900 -0.038 0.000 1.339 27 G CA -0.300 44.773 45.100 -0.044 0.000 0.884 27 G HN 0.146 nan 8.290 nan 0.000 0.559 28 D N 0.395 120.780 120.400 -0.026 0.000 2.414 28 D HA 0.610 5.249 4.640 -0.000 0.000 0.241 28 D C 1.238 177.542 176.300 0.007 0.000 1.008 28 D CA 0.963 54.955 54.000 -0.014 0.000 1.001 28 D CB 1.000 41.789 40.800 -0.017 0.000 1.277 28 D HN 1.786 nan 8.370 nan 0.000 0.538 29 G N 0.977 109.782 108.800 0.008 0.000 2.629 29 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.313 29 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.313 29 G C 1.206 176.117 174.900 0.019 0.000 1.217 29 G CA 0.822 45.931 45.100 0.015 0.000 0.994 29 G HN 0.708 nan 8.290 nan 0.000 0.549 30 I N 0.319 120.907 120.570 0.030 0.000 2.756 30 I HA 0.225 4.395 4.170 -0.000 0.000 0.262 30 I C 2.512 178.648 176.117 0.031 0.000 1.225 30 I CA 1.677 62.992 61.300 0.024 0.000 1.472 30 I CB -1.076 36.927 38.000 0.004 0.000 1.094 30 I HN 0.703 nan 8.210 nan 0.000 0.454 31 G N 2.779 111.605 108.800 0.043 0.000 2.681 31 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 31 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 31 G C -0.375 174.534 174.900 0.014 0.000 1.210 31 G CA 1.584 46.708 45.100 0.039 0.000 0.783 31 G HN 0.380 nan 8.290 nan 0.000 0.609 32 P HA -0.064 nan 4.420 nan 0.000 0.216 32 P C 1.681 178.974 177.300 -0.013 0.000 1.153 32 P CA 1.661 64.753 63.100 -0.014 0.000 0.858 32 P CB -0.063 31.628 31.700 -0.015 0.000 0.789 33 E N -1.313 118.884 120.200 -0.005 0.000 2.051 33 E HA -0.178 4.171 4.350 -0.000 0.000 0.192 33 E C 2.020 178.617 176.600 -0.004 0.000 0.991 33 E CA 1.322 57.718 56.400 -0.006 0.000 0.799 33 E CB -0.683 29.014 29.700 -0.005 0.000 0.748 33 E HN 0.229 nan 8.360 nan 0.000 0.449 34 C N 0.211 119.515 119.300 0.005 0.000 2.440 34 C HA -0.066 4.393 4.460 -0.000 0.000 0.278 34 C C 2.690 177.684 174.990 0.007 0.000 1.295 34 C CA 0.282 59.310 59.018 0.017 0.000 1.738 34 C CB -0.538 27.239 27.740 0.062 0.000 1.987 34 C HN 0.256 nan 8.230 nan 0.000 0.492 35 V N 0.533 120.442 119.914 -0.007 0.000 2.488 35 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 35 V C 2.458 178.517 176.094 -0.057 0.000 1.046 35 V CA 1.941 64.221 62.300 -0.034 0.000 1.053 35 V CB -0.711 31.087 31.823 -0.042 0.000 0.679 35 V HN 0.598 nan 8.190 nan 0.000 0.458 36 E N 0.625 120.797 120.200 -0.047 0.000 2.051 36 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 36 E C 2.261 178.833 176.600 -0.046 0.000 0.991 36 E CA 1.507 57.874 56.400 -0.055 0.000 0.799 36 E CB -0.186 29.492 29.700 -0.036 0.000 0.748 36 E HN 0.539 nan 8.360 nan 0.000 0.449 37 A N 0.423 123.230 122.820 -0.022 0.000 1.883 37 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 37 A C 2.432 180.007 177.584 -0.016 0.000 1.186 37 A CA 2.236 54.269 52.037 -0.006 0.000 0.624 37 A CB -1.145 17.868 19.000 0.022 0.000 0.822 37 A HN 0.358 nan 8.150 nan 0.000 0.444 38 T N 0.533 115.075 114.554 -0.019 0.000 2.684 38 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 38 T C 1.786 176.454 174.700 -0.053 0.000 1.036 38 T CA 1.576 63.661 62.100 -0.024 0.000 1.148 38 T CB -0.430 68.425 68.868 -0.020 0.000 0.863 38 T HN 0.366 nan 8.240 nan 0.000 0.436 39 L N 0.303 121.463 121.223 -0.105 0.000 2.131 39 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 39 L C 2.630 179.439 176.870 -0.100 0.000 1.092 39 L CA 1.308 56.040 54.840 -0.179 0.000 0.759 39 L CB -0.416 41.465 42.059 -0.296 0.000 0.903 39 L HN 0.255 nan 8.230 nan 0.000 0.435 40 K N -0.487 119.875 120.400 -0.064 0.000 2.057 40 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 40 K C 2.046 178.635 176.600 -0.017 0.000 1.050 40 K CA 1.062 57.328 56.287 -0.034 0.000 0.935 40 K CB -0.161 32.323 32.500 -0.026 0.000 0.715 40 K HN 0.101 nan 8.250 nan 0.000 0.439 41 V N 2.120 122.023 119.914 -0.017 0.000 2.343 41 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 41 V C 2.253 178.349 176.094 0.004 0.000 1.051 41 V CA 1.520 63.813 62.300 -0.010 0.000 1.036 41 V CB -0.462 31.353 31.823 -0.013 0.000 0.654 41 V HN 0.260 nan 8.190 nan 0.000 0.451 42 L N -0.447 120.783 121.223 0.011 0.000 1.994 42 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 42 L C 2.808 179.715 176.870 0.062 0.000 1.071 42 L CA 1.518 56.385 54.840 0.046 0.000 0.745 42 L CB -0.696 41.416 42.059 0.088 0.000 0.892 42 L HN 0.306 nan 8.230 nan 0.000 0.431 43 E N 0.217 120.454 120.200 0.062 0.000 2.085 43 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 43 E C 2.267 178.888 176.600 0.034 0.000 0.994 43 E CA 1.433 57.873 56.400 0.067 0.000 0.801 43 E CB -0.254 29.479 29.700 0.056 0.000 0.743 43 E HN 0.487 nan 8.360 nan 0.000 0.453 44 A N 1.454 124.285 122.820 0.018 0.000 1.902 44 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 44 A C 2.296 179.884 177.584 0.007 0.000 1.181 44 A CA 1.838 53.880 52.037 0.008 0.000 0.623 44 A CB -0.454 18.546 19.000 -0.000 0.000 0.818 44 A HN 0.240 nan 8.150 nan 0.000 0.443 45 A N -1.389 121.436 122.820 0.009 0.000 2.239 45 A HA 0.202 4.521 4.320 -0.000 0.000 0.209 45 A C 0.825 178.413 177.584 0.008 0.000 1.171 45 A CA 0.793 52.834 52.037 0.006 0.000 0.768 45 A CB -0.301 18.703 19.000 0.007 0.000 0.790 45 A HN 0.348 nan 8.150 nan 0.000 0.478 46 K N -1.750 118.659 120.400 0.014 0.000 3.035 46 K HA -0.207 4.113 4.320 -0.000 0.000 0.262 46 K C 0.258 176.862 176.600 0.006 0.000 1.024 46 K CA 0.852 57.146 56.287 0.011 0.000 0.748 46 K CB -2.897 29.605 32.500 0.002 0.000 1.247 46 K HN 0.967 nan 8.250 nan 0.000 0.482 47 A N 1.990 124.821 122.820 0.017 0.000 2.524 47 A HA 0.217 4.537 4.320 -0.000 0.000 0.250 47 A C -1.181 176.390 177.584 -0.022 0.000 1.078 47 A CA -0.682 51.357 52.037 0.004 0.000 0.761 47 A CB -0.037 18.982 19.000 0.032 0.000 1.012 47 A HN 0.095 nan 8.150 nan 0.000 0.500 48 P HA 0.245 nan 4.420 nan 0.000 0.235 48 P C -1.001 176.228 177.300 -0.118 0.000 1.765 48 P CA 0.560 63.617 63.100 -0.072 0.000 1.034 48 P CB -0.401 31.261 31.700 -0.063 0.000 1.984 49 L N 1.110 122.222 121.223 -0.186 0.000 2.388 49 L HA 0.813 5.152 4.340 -0.000 0.000 0.264 49 L C 0.057 176.556 176.870 -0.618 0.000 0.998 49 L CA -1.144 53.477 54.840 -0.365 0.000 0.817 49 L CB 2.348 44.174 42.059 -0.388 0.000 1.338 49 L HN 0.039 nan 8.230 nan 0.000 0.414 50 A N 1.309 123.769 122.820 -0.600 0.000 2.355 50 A HA 0.845 5.165 4.320 -0.000 0.000 0.324 50 A C -1.773 175.435 177.584 -0.626 0.000 1.117 50 A CA -0.350 51.377 52.037 -0.516 0.000 0.785 50 A CB 0.964 19.832 19.000 -0.220 0.000 1.254 50 A HN 0.524 nan 8.150 nan 0.000 0.453 51 Y N 0.044 120.329 120.300 -0.025 0.000 2.376 51 Y HA 0.559 5.109 4.550 -0.000 0.000 0.340 51 Y C 0.172 176.048 175.900 -0.039 0.000 0.965 51 Y CA -0.673 57.408 58.100 -0.031 0.000 1.078 51 Y CB 2.018 40.463 38.460 -0.025 0.000 1.193 51 Y HN 0.728 nan 8.280 nan 0.000 0.452 52 E N 2.519 122.781 120.200 0.102 0.000 2.149 52 E HA 0.455 4.805 4.350 -0.000 0.000 0.255 52 E C -1.466 175.154 176.600 0.035 0.000 0.888 52 E CA -0.493 55.926 56.400 0.032 0.000 0.742 52 E CB 0.974 30.657 29.700 -0.028 0.000 1.164 52 E HN 0.472 nan 8.360 nan 0.000 0.422 53 V N 5.387 125.320 119.914 0.031 0.000 2.455 53 V HA 0.344 4.464 4.120 -0.000 0.000 0.273 53 V C 0.340 176.429 176.094 -0.009 0.000 1.045 53 V CA -0.146 62.157 62.300 0.006 0.000 0.976 53 V CB 0.690 32.509 31.823 -0.006 0.000 0.993 53 V HN 0.558 nan 8.190 nan 0.000 0.475 54 R N 3.028 123.517 120.500 -0.017 0.000 2.808 54 R HA 0.586 4.926 4.340 -0.000 0.000 0.272 54 R C -0.891 175.389 176.300 -0.033 0.000 0.995 54 R CA -0.873 55.213 56.100 -0.023 0.000 0.917 54 R CB 2.193 32.480 30.300 -0.022 0.000 1.217 54 R HN 0.597 nan 8.270 nan 0.000 0.471 55 E N 0.500 120.678 120.200 -0.038 0.000 2.227 55 E HA 0.778 5.128 4.350 -0.000 0.000 0.268 55 E C -0.764 175.792 176.600 -0.074 0.000 0.990 55 E CA -0.861 55.505 56.400 -0.056 0.000 0.856 55 E CB 2.199 31.863 29.700 -0.059 0.000 1.159 55 E HN 0.657 nan 8.360 nan 0.000 0.401 56 A N -0.000 122.755 122.820 -0.108 0.000 2.605 56 A HA 0.750 5.070 4.320 -0.000 0.000 0.294 56 A C 0.004 177.443 177.584 -0.242 0.000 1.062 56 A CA 0.037 51.982 52.037 -0.154 0.000 0.682 56 A CB 1.510 20.450 19.000 -0.099 0.000 1.278 56 A HN 0.875 nan 8.150 nan 0.000 0.410 57 G N -0.443 108.100 108.800 -0.429 0.000 2.472 57 G HA2 0.370 4.330 3.960 -0.000 0.000 0.205 57 G HA3 0.370 4.330 3.960 -0.000 0.000 0.205 57 G C 1.146 175.494 174.900 -0.920 0.000 1.270 57 G CA 0.955 45.699 45.100 -0.594 0.000 0.974 57 G HN 2.260 nan 8.290 nan 0.000 0.542 58 A N -0.408 122.112 122.820 -0.500 0.000 1.917 58 A HA 0.021 4.341 4.320 -0.000 0.000 0.219 58 A C 2.900 180.413 177.584 -0.118 0.000 1.182 58 A CA 3.901 55.837 52.037 -0.168 0.000 0.633 58 A CB -1.130 17.898 19.000 0.046 0.000 0.819 58 A HN 2.424 nan 8.150 nan 0.000 0.448 59 S N -0.660 114.958 115.700 -0.137 0.000 2.399 59 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 59 S C 1.665 176.217 174.600 -0.082 0.000 1.022 59 S CA 1.538 59.692 58.200 -0.076 0.000 0.983 59 S CB -0.713 62.445 63.200 -0.070 0.000 0.803 59 S HN 0.286 nan 8.310 nan 0.000 0.480 60 V N 0.562 120.370 119.914 -0.178 0.000 2.649 60 V HA 0.049 4.169 4.120 -0.000 0.000 0.248 60 V C 2.175 178.261 176.094 -0.013 0.000 1.054 60 V CA 1.095 63.319 62.300 -0.126 0.000 1.073 60 V CB -0.985 30.727 31.823 -0.185 0.000 0.699 60 V HN 0.384 nan 8.190 nan 0.000 0.463 61 F N 1.127 121.070 119.950 -0.011 0.000 2.126 61 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 61 F C 2.450 178.247 175.800 -0.005 0.000 1.096 61 F CA 1.110 59.103 58.000 -0.013 0.000 1.255 61 F CB -0.867 38.121 39.000 -0.020 0.000 0.997 61 F HN 0.075 nan 8.300 nan 0.000 0.479 62 R N 0.011 120.618 120.500 0.178 0.000 2.328 62 R HA -0.044 4.296 4.340 -0.000 0.000 0.207 62 R C 1.665 178.003 176.300 0.064 0.000 1.056 62 R CA 0.441 56.602 56.100 0.101 0.000 1.016 62 R CB -0.236 30.106 30.300 0.070 0.000 0.872 62 R HN 0.309 nan 8.270 nan 0.000 0.471 63 R N -0.589 119.947 120.500 0.059 0.000 2.334 63 R HA 0.100 4.440 4.340 -0.000 0.000 0.216 63 R C 0.781 177.108 176.300 0.045 0.000 0.905 63 R CA 0.519 56.642 56.100 0.037 0.000 1.064 63 R CB 0.848 31.160 30.300 0.021 0.000 1.046 63 R HN 0.296 nan 8.270 nan 0.000 0.508 64 G N 1.543 110.383 108.800 0.068 0.000 2.132 64 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.228 64 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.228 64 G C 0.033 174.971 174.900 0.064 0.000 1.000 64 G CA -0.401 44.734 45.100 0.059 0.000 0.693 64 G HN 0.236 nan 8.290 nan 0.000 0.515 65 I N 1.211 121.838 120.570 0.094 0.000 2.347 65 I HA 0.452 4.622 4.170 -0.000 0.000 0.283 65 I C 1.677 177.900 176.117 0.176 0.000 1.058 65 I CA -0.123 61.234 61.300 0.094 0.000 1.202 65 I CB 1.103 39.142 38.000 0.065 0.000 1.386 65 I HN 0.148 nan 8.210 nan 0.000 0.475 66 A N 3.900 126.793 122.820 0.122 0.000 2.024 66 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 66 A C 2.347 180.039 177.584 0.179 0.000 1.164 66 A CA 2.239 54.336 52.037 0.100 0.000 0.643 66 A CB -0.377 18.622 19.000 -0.002 0.000 0.806 66 A HN 0.738 nan 8.150 nan 0.000 0.451 67 S N -1.954 113.850 115.700 0.173 0.000 2.489 67 S HA 0.304 4.773 4.470 -0.000 0.000 0.228 67 S C 1.637 176.409 174.600 0.286 0.000 0.995 67 S CA 1.210 59.517 58.200 0.177 0.000 0.934 67 S CB -0.515 62.732 63.200 0.077 0.000 0.771 67 S HN 1.947 nan 8.310 nan 0.000 0.522 68 G N 0.084 109.040 108.800 0.261 0.000 2.184 68 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.264 68 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.264 68 G C 0.053 174.870 174.900 -0.137 0.000 0.975 68 G CA 0.230 45.241 45.100 -0.148 0.000 0.642 68 G HN 0.970 nan 8.290 nan 0.000 0.536 69 V N 2.982 122.886 119.914 -0.017 0.000 2.340 69 V HA 0.432 4.552 4.120 -0.000 0.000 0.277 69 V C -1.520 174.581 176.094 0.011 0.000 1.017 69 V CA -1.327 60.969 62.300 -0.006 0.000 0.820 69 V CB 1.823 33.664 31.823 0.029 0.000 1.028 69 V HN 0.248 nan 8.190 nan 0.000 0.436 70 P HA 0.156 nan 4.420 nan 0.000 0.272 70 P C 0.468 177.782 177.300 0.023 0.000 1.223 70 P CA -0.190 62.915 63.100 0.009 0.000 0.784 70 P CB 1.165 32.863 31.700 -0.005 0.000 0.923 71 Q N 1.520 121.334 119.800 0.023 0.000 2.152 71 Q HA -0.197 4.143 4.340 -0.000 0.000 0.206 71 Q C 1.837 177.857 176.000 0.033 0.000 0.985 71 Q CA 1.805 57.627 55.803 0.031 0.000 0.863 71 Q CB -0.451 28.301 28.738 0.023 0.000 0.904 71 Q HN 0.663 nan 8.270 nan 0.000 0.422 72 E N 0.018 120.230 120.200 0.020 0.000 2.153 72 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 72 E C 1.486 178.094 176.600 0.013 0.000 0.988 72 E CA 1.394 57.801 56.400 0.013 0.000 0.811 72 E CB -0.421 29.281 29.700 0.003 0.000 0.746 72 E HN 0.190 nan 8.360 nan 0.000 0.466 73 T N 1.622 116.188 114.554 0.020 0.000 2.896 73 T HA 0.088 4.437 4.350 -0.000 0.000 0.263 73 T C 2.069 176.802 174.700 0.054 0.000 1.050 73 T CA 0.819 62.931 62.100 0.019 0.000 1.140 73 T CB -0.105 68.773 68.868 0.015 0.000 0.877 73 T HN 0.135 nan 8.240 nan 0.000 0.457 74 I N 1.043 121.679 120.570 0.111 0.000 2.252 74 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 74 I C 2.563 178.771 176.117 0.152 0.000 1.102 74 I CA 1.333 62.772 61.300 0.231 0.000 1.385 74 I CB -0.344 37.775 38.000 0.199 0.000 1.064 74 I HN 0.312 nan 8.210 nan 0.000 0.414 75 E N 0.241 120.489 120.200 0.080 0.000 2.077 75 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 75 E C 2.274 178.878 176.600 0.008 0.000 0.989 75 E CA 1.652 58.080 56.400 0.047 0.000 0.800 75 E CB -0.154 29.563 29.700 0.028 0.000 0.746 75 E HN 0.310 nan 8.360 nan 0.000 0.452 76 S N 0.521 116.212 115.700 -0.015 0.000 2.368 76 S HA -0.129 4.340 4.470 -0.000 0.000 0.225 76 S C 1.995 176.538 174.600 -0.095 0.000 1.030 76 S CA 0.849 59.016 58.200 -0.056 0.000 0.999 76 S CB -0.179 62.990 63.200 -0.051 0.000 0.844 76 S HN 0.180 nan 8.310 nan 0.000 0.459 77 I N 0.875 121.363 120.570 -0.136 0.000 2.315 77 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 77 I C 2.745 178.706 176.117 -0.260 0.000 1.117 77 I CA 1.012 62.132 61.300 -0.299 0.000 1.404 77 I CB -0.277 37.340 38.000 -0.639 0.000 1.071 77 I HN 0.239 nan 8.210 nan 0.000 0.419 78 R N 0.572 121.008 120.500 -0.107 0.000 2.189 78 R HA -0.143 4.197 4.340 -0.000 0.000 0.218 78 R C 2.234 178.541 176.300 0.012 0.000 1.074 78 R CA 0.855 56.957 56.100 0.004 0.000 0.991 78 R CB -0.113 30.249 30.300 0.103 0.000 0.883 78 R HN 0.341 nan 8.270 nan 0.000 0.457 79 K N 0.400 120.790 120.400 -0.016 0.000 2.098 79 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 79 K C 1.895 178.503 176.600 0.014 0.000 1.051 79 K CA 1.660 57.946 56.287 -0.001 0.000 0.957 79 K CB 0.197 32.645 32.500 -0.085 0.000 0.738 79 K HN 0.150 nan 8.250 nan 0.000 0.447 80 T N -2.057 112.463 114.554 -0.056 0.000 3.010 80 T HA 0.108 4.458 4.350 -0.000 0.000 0.252 80 T C 0.707 175.421 174.700 0.023 0.000 1.047 80 T CA -0.093 61.996 62.100 -0.018 0.000 1.140 80 T CB 0.179 69.007 68.868 -0.067 0.000 0.885 80 T HN 0.168 nan 8.240 nan 0.000 0.464 81 R N -0.185 120.289 120.500 -0.044 0.000 3.994 81 R HA -0.105 4.235 4.340 -0.000 0.000 0.403 81 R C -0.750 175.536 176.300 -0.023 0.000 1.126 81 R CA 0.698 56.770 56.100 -0.045 0.000 1.143 81 R CB -2.875 27.450 30.300 0.042 0.000 1.695 81 R HN 0.544 nan 8.270 nan 0.000 0.555 82 V N 0.540 120.445 119.914 -0.015 0.000 2.623 82 V HA 0.630 4.749 4.120 -0.000 0.000 0.304 82 V C -0.012 176.087 176.094 0.009 0.000 1.054 82 V CA -0.824 61.498 62.300 0.037 0.000 0.882 82 V CB 2.843 34.747 31.823 0.135 0.000 1.002 82 V HN -0.082 nan 8.190 nan 0.000 0.424 83 V N 5.382 125.304 119.914 0.015 0.000 2.789 83 V HA 0.596 4.716 4.120 -0.000 0.000 0.311 83 V C -0.991 175.162 176.094 0.099 0.000 1.073 83 V CA -0.702 61.602 62.300 0.006 0.000 0.921 83 V CB 2.180 33.946 31.823 -0.095 0.000 1.009 83 V HN 0.682 nan 8.190 nan 0.000 0.426 84 L N 5.379 126.649 121.223 0.078 0.000 2.343 84 L HA 0.731 5.071 4.340 -0.000 0.000 0.278 84 L C -0.430 176.454 176.870 0.024 0.000 0.996 84 L CA -0.171 54.722 54.840 0.087 0.000 0.831 84 L CB 1.206 43.310 42.059 0.075 0.000 1.232 84 L HN 0.820 nan 8.230 nan 0.000 0.413 85 K N 3.338 123.741 120.400 0.005 0.000 2.375 85 K HA 0.914 5.234 4.320 -0.000 0.000 0.249 85 K C -0.242 176.340 176.600 -0.030 0.000 0.942 85 K CA -0.773 55.500 56.287 -0.023 0.000 0.806 85 K CB 1.827 34.304 32.500 -0.039 0.000 1.227 85 K HN 0.602 nan 8.250 nan 0.000 0.430 86 G N 1.473 110.255 108.800 -0.030 0.000 2.547 86 G HA2 0.415 4.375 3.960 -0.000 0.000 0.291 86 G HA3 0.415 4.375 3.960 -0.000 0.000 0.291 86 G C -2.375 172.507 174.900 -0.029 0.000 1.211 86 G CA -1.660 43.427 45.100 -0.021 0.000 0.950 86 G HN 0.541 nan 8.290 nan 0.000 0.504 87 P HA 0.164 nan 4.420 nan 0.000 0.269 87 P C -0.670 176.627 177.300 -0.006 0.000 1.215 87 P CA 0.131 63.229 63.100 -0.004 0.000 0.780 87 P CB 1.084 32.829 31.700 0.076 0.000 0.898 88 L N 1.104 122.318 121.223 -0.015 0.000 2.346 88 L HA 0.420 4.760 4.340 -0.000 0.000 0.276 88 L C 0.778 177.648 176.870 -0.000 0.000 1.006 88 L CA -0.890 53.930 54.840 -0.033 0.000 0.817 88 L CB 1.872 43.893 42.059 -0.064 0.000 1.272 88 L HN 0.396 nan 8.230 nan 0.000 0.421 89 E N 1.617 121.821 120.200 0.008 0.000 2.289 89 E HA 0.245 4.594 4.350 -0.000 0.000 0.278 89 E C -1.075 175.598 176.600 0.121 0.000 1.032 89 E CA -0.248 56.181 56.400 0.049 0.000 0.854 89 E CB 0.995 30.725 29.700 0.049 0.000 1.046 89 E HN 0.494 nan 8.360 nan 0.000 0.409 90 T N 7.102 121.700 114.554 0.074 0.000 2.786 90 T HA 0.335 4.685 4.350 -0.000 0.000 0.283 90 T C -2.371 172.281 174.700 -0.080 0.000 0.992 90 T CA -1.330 60.801 62.100 0.052 0.000 0.954 90 T CB 1.353 70.219 68.868 -0.004 0.000 0.934 90 T HN 0.474 nan 8.240 nan 0.000 0.440 91 P HA 0.132 nan 4.420 nan 0.000 0.266 91 P C -0.723 176.322 177.300 -0.425 0.000 1.195 91 P CA -0.280 62.558 63.100 -0.436 0.000 0.768 91 P CB 0.544 31.719 31.700 -0.874 0.000 0.838 92 V N 2.732 122.486 119.914 -0.267 0.000 2.348 92 V HA 0.449 4.568 4.120 -0.000 0.000 0.270 92 V C 1.508 177.597 176.094 -0.009 0.000 1.037 92 V CA 0.857 63.089 62.300 -0.114 0.000 0.872 92 V CB -0.017 31.798 31.823 -0.013 0.000 1.002 92 V HN 1.043 nan 8.190 nan 0.000 0.464 93 G N 4.461 113.230 108.800 -0.053 0.000 2.195 93 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.246 93 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.246 93 G C -0.117 174.856 174.900 0.122 0.000 0.984 93 G CA 0.638 45.770 45.100 0.053 0.000 0.633 93 G HN 1.408 nan 8.290 nan 0.000 0.525 94 Y N -3.601 116.648 120.300 -0.085 0.000 2.914 94 Y HA 0.647 5.197 4.550 -0.000 0.000 0.327 94 Y C 1.043 176.867 175.900 -0.127 0.000 1.440 94 Y CA -0.270 57.773 58.100 -0.095 0.000 1.086 94 Y CB 0.381 38.793 38.460 -0.081 0.000 1.544 94 Y HN 1.863 nan 8.280 nan 0.000 0.442 95 G N 0.918 109.610 108.800 -0.180 0.000 2.601 95 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.252 95 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.252 95 G C -0.878 173.784 174.900 -0.396 0.000 1.294 95 G CA 0.132 45.038 45.100 -0.323 0.000 0.912 95 G HN 0.937 nan 8.290 nan 0.000 0.574 96 E N 1.148 120.994 120.200 -0.589 0.000 2.418 96 E HA 0.429 4.779 4.350 -0.000 0.000 0.261 96 E C 0.788 177.091 176.600 -0.494 0.000 1.070 96 E CA 0.232 56.216 56.400 -0.693 0.000 0.931 96 E CB 0.401 29.176 29.700 -1.542 0.000 0.954 96 E HN 0.571 nan 8.360 nan 0.000 0.439 97 K N 0.876 121.106 120.400 -0.283 0.000 2.258 97 K HA 0.141 4.460 4.320 -0.000 0.000 0.264 97 K C 0.219 176.811 176.600 -0.014 0.000 1.007 97 K CA -0.374 55.830 56.287 -0.139 0.000 0.941 97 K CB 0.845 33.296 32.500 -0.082 0.000 0.966 97 K HN 0.385 nan 8.250 nan 0.000 0.480 98 S N 1.289 116.986 115.700 -0.005 0.000 2.629 98 S HA -0.029 4.441 4.470 -0.000 0.000 0.302 98 S C 1.098 175.765 174.600 0.111 0.000 1.244 98 S CA -0.081 58.157 58.200 0.064 0.000 1.098 98 S CB 0.220 63.418 63.200 -0.004 0.000 0.858 98 S HN 0.659 nan 8.310 nan 0.000 0.502 99 A N 5.703 128.624 122.820 0.168 0.000 2.119 99 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 99 A C 2.043 179.644 177.584 0.028 0.000 1.153 99 A CA 0.790 52.875 52.037 0.080 0.000 0.692 99 A CB -0.338 18.632 19.000 -0.049 0.000 0.799 99 A HN 0.890 nan 8.150 nan 0.000 0.458 100 N N 0.283 118.998 118.700 0.024 0.000 2.135 100 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 100 N C 1.694 177.214 175.510 0.018 0.000 1.027 100 N CA 1.611 54.666 53.050 0.008 0.000 0.849 100 N CB -0.361 38.127 38.487 0.002 0.000 1.002 100 N HN 0.272 nan 8.380 nan 0.000 0.425 101 V N 1.413 121.343 119.914 0.027 0.000 2.427 101 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 101 V C 2.249 178.357 176.094 0.023 0.000 1.051 101 V CA 1.553 63.873 62.300 0.032 0.000 1.048 101 V CB -0.852 30.995 31.823 0.040 0.000 0.666 101 V HN 0.319 nan 8.190 nan 0.000 0.456 102 T N 0.486 115.055 114.554 0.025 0.000 2.746 102 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 102 T C 1.890 176.596 174.700 0.010 0.000 1.039 102 T CA 1.499 63.606 62.100 0.011 0.000 1.142 102 T CB -0.269 68.614 68.868 0.026 0.000 0.866 102 T HN 0.296 nan 8.240 nan 0.000 0.444 103 L N 0.329 121.583 121.223 0.052 0.000 2.017 103 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 103 L C 2.865 179.829 176.870 0.157 0.000 1.073 103 L CA 1.488 56.413 54.840 0.142 0.000 0.745 103 L CB -0.446 41.681 42.059 0.114 0.000 0.894 103 L HN 0.170 nan 8.230 nan 0.000 0.432 104 R N 0.112 120.651 120.500 0.065 0.000 2.081 104 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 104 R C 2.293 178.612 176.300 0.032 0.000 1.131 104 R CA 1.337 57.461 56.100 0.040 0.000 0.960 104 R CB -0.225 30.073 30.300 -0.002 0.000 0.856 104 R HN 0.318 nan 8.270 nan 0.000 0.436 105 K N 0.462 120.862 120.400 0.000 0.000 2.155 105 K HA -0.017 4.303 4.320 -0.000 0.000 0.203 105 K C 2.034 178.574 176.600 -0.099 0.000 1.052 105 K CA 0.815 57.086 56.287 -0.026 0.000 0.948 105 K CB 0.005 32.492 32.500 -0.021 0.000 0.728 105 K HN 0.130 nan 8.250 nan 0.000 0.448 106 L N -0.344 120.760 121.223 -0.198 0.000 2.201 106 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 106 L C 1.029 177.479 176.870 -0.699 0.000 1.105 106 L CA 1.077 55.624 54.840 -0.488 0.000 0.775 106 L CB 0.027 41.652 42.059 -0.724 0.000 0.913 106 L HN 0.117 nan 8.230 nan 0.000 0.440 107 F N -1.266 118.681 119.950 -0.005 0.000 2.698 107 F HA 0.184 4.711 4.527 -0.000 0.000 0.304 107 F C 0.776 176.580 175.800 0.007 0.000 1.108 107 F CA -0.671 57.327 58.000 -0.004 0.000 1.263 107 F CB -0.055 38.931 39.000 -0.023 0.000 1.013 107 F HN -0.122 nan 8.300 nan 0.000 0.532 108 E N 1.663 121.927 120.200 0.107 0.000 2.269 108 E HA -0.246 4.104 4.350 -0.000 0.000 0.223 108 E C 0.047 176.727 176.600 0.133 0.000 1.244 108 E CA 0.792 57.266 56.400 0.122 0.000 0.713 108 E CB -1.445 28.336 29.700 0.134 0.000 1.178 108 E HN 0.341 nan 8.360 nan 0.000 0.370 109 T N -0.708 113.875 114.554 0.048 0.000 3.579 109 T HA 0.279 4.629 4.350 -0.000 0.000 0.328 109 T C 1.102 175.717 174.700 -0.142 0.000 1.481 109 T CA -0.084 61.953 62.100 -0.104 0.000 1.144 109 T CB -0.416 68.365 68.868 -0.145 0.000 1.205 109 T HN 0.360 nan 8.240 nan 0.000 0.812 110 Y N 1.341 121.572 120.300 -0.115 0.000 2.497 110 Y HA 0.459 5.009 4.550 -0.000 0.000 0.292 110 Y C 0.748 176.506 175.900 -0.236 0.000 1.137 110 Y CA -0.539 57.476 58.100 -0.141 0.000 1.285 110 Y CB -0.385 38.015 38.460 -0.100 0.000 0.991 110 Y HN 0.652 nan 8.280 nan 0.000 0.556 111 A N 1.506 123.861 122.820 -0.774 0.000 2.303 111 A HA 0.401 4.721 4.320 -0.000 0.000 0.320 111 A C -0.895 176.370 177.584 -0.532 0.000 1.192 111 A CA -0.822 50.747 52.037 -0.781 0.000 0.821 111 A CB 0.421 18.376 19.000 -1.742 0.000 1.188 111 A HN 0.399 nan 8.150 nan 0.000 0.492 112 N N 2.840 121.344 118.700 -0.327 0.000 2.558 112 N HA 0.346 5.086 4.740 -0.000 0.000 0.242 112 N C -1.283 174.139 175.510 -0.146 0.000 0.979 112 N CA -0.103 52.818 53.050 -0.216 0.000 0.931 112 N CB 1.434 39.832 38.487 -0.149 0.000 1.122 112 N HN 0.288 nan 8.380 nan 0.000 0.508 113 V N 4.908 124.761 119.914 -0.100 0.000 2.385 113 V HA 0.384 4.504 4.120 -0.000 0.000 0.269 113 V C 0.507 176.610 176.094 0.015 0.000 1.043 113 V CA -0.378 61.926 62.300 0.007 0.000 0.906 113 V CB 0.505 32.395 31.823 0.111 0.000 0.995 113 V HN 0.418 nan 8.190 nan 0.000 0.467 114 R N 6.145 126.651 120.500 0.011 0.000 2.415 114 R HA 0.354 4.694 4.340 -0.000 0.000 0.292 114 R C -2.806 173.514 176.300 0.034 0.000 1.295 114 R CA -1.470 54.644 56.100 0.022 0.000 1.137 114 R CB 2.018 32.317 30.300 -0.002 0.000 1.135 114 R HN 0.487 nan 8.270 nan 0.000 0.560 115 P HA 0.152 nan 4.420 nan 0.000 0.284 115 P C -0.475 176.878 177.300 0.088 0.000 1.253 115 P CA -0.427 62.716 63.100 0.071 0.000 0.800 115 P CB 1.775 33.536 31.700 0.103 0.000 0.961 116 V N 1.447 121.393 119.914 0.053 0.000 2.709 116 V HA 0.885 5.005 4.120 -0.000 0.000 0.308 116 V C -0.564 175.515 176.094 -0.025 0.000 1.062 116 V CA -0.979 61.349 62.300 0.048 0.000 0.901 116 V CB 2.022 33.861 31.823 0.026 0.000 1.003 116 V HN 0.821 nan 8.190 nan 0.000 0.425 117 R N 1.637 122.064 120.500 -0.123 0.000 2.710 117 R HA 0.627 4.967 4.340 -0.000 0.000 0.270 117 R C -0.863 175.160 176.300 -0.461 0.000 1.021 117 R CA -0.749 55.184 56.100 -0.279 0.000 0.889 117 R CB 2.171 32.257 30.300 -0.357 0.000 1.243 117 R HN 0.816 nan 8.270 nan 0.000 0.464 118 E N 1.297 121.287 120.200 -0.349 0.000 2.383 118 E HA 0.211 4.561 4.350 -0.000 0.000 0.264 118 E C -1.269 175.042 176.600 -0.482 0.000 1.050 118 E CA -0.311 55.923 56.400 -0.275 0.000 0.896 118 E CB 0.610 30.236 29.700 -0.124 0.000 0.982 118 E HN 0.353 nan 8.360 nan 0.000 0.424 119 F N 2.756 122.621 119.950 -0.141 0.000 2.561 119 F HA 0.370 4.897 4.527 -0.000 0.000 0.321 119 F C -2.031 173.686 175.800 -0.138 0.000 1.065 119 F CA -2.423 55.478 58.000 -0.165 0.000 0.934 119 F CB 1.576 40.371 39.000 -0.341 0.000 1.215 119 F HN 0.334 nan 8.300 nan 0.000 0.471 120 P HA 0.099 nan 4.420 nan 0.000 0.267 120 P C -0.276 177.036 177.300 0.019 0.000 1.205 120 P CA 0.384 63.512 63.100 0.046 0.000 0.765 120 P CB 0.301 32.032 31.700 0.052 0.000 0.828 121 N N 0.394 119.093 118.700 -0.001 0.000 2.708 121 N HA -0.133 4.607 4.740 -0.000 0.000 0.251 121 N C -0.795 174.700 175.510 -0.025 0.000 1.123 121 N CA 0.743 53.787 53.050 -0.010 0.000 0.739 121 N CB -1.397 37.086 38.487 -0.007 0.000 1.113 121 N HN 0.168 nan 8.380 nan 0.000 0.561 122 V N 1.660 121.544 119.914 -0.049 0.000 2.260 122 V HA 0.231 4.351 4.120 -0.000 0.000 0.263 122 V C -1.744 174.321 176.094 -0.048 0.000 1.036 122 V CA -1.073 61.164 62.300 -0.105 0.000 0.874 122 V CB 1.415 33.041 31.823 -0.328 0.000 1.116 122 V HN -0.003 nan 8.190 nan 0.000 0.454 123 P HA 0.297 nan 4.420 nan 0.000 0.268 123 P C -0.219 177.095 177.300 0.023 0.000 1.205 123 P CA 0.521 63.623 63.100 0.002 0.000 0.771 123 P CB 1.281 32.981 31.700 -0.000 0.000 0.858 124 T N -1.318 113.259 114.554 0.039 0.000 2.885 124 T HA 0.377 4.726 4.350 -0.000 0.000 0.322 124 T C -2.514 172.211 174.700 0.042 0.000 1.387 124 T CA -1.648 60.498 62.100 0.076 0.000 1.041 124 T CB 1.158 70.114 68.868 0.147 0.000 1.287 124 T HN -0.006 nan 8.240 nan 0.000 0.491 125 P HA 0.002 nan 4.420 nan 0.000 0.224 125 P C 0.237 177.358 177.300 -0.298 0.000 1.142 125 P CA 0.927 63.917 63.100 -0.182 0.000 0.778 125 P CB -0.221 31.310 31.700 -0.282 0.000 0.764 126 Y N -1.358 118.941 120.300 -0.002 0.000 2.457 126 Y HA 0.373 4.923 4.550 -0.000 0.000 0.263 126 Y C 1.331 177.223 175.900 -0.013 0.000 1.164 126 Y CA -0.649 57.447 58.100 -0.006 0.000 1.274 126 Y CB -0.663 37.795 38.460 -0.003 0.000 1.097 126 Y HN -0.190 nan 8.280 nan 0.000 0.523 127 A N 0.580 123.451 122.820 0.085 0.000 2.567 127 A HA 0.351 4.671 4.320 -0.000 0.000 0.240 127 A C 1.653 179.252 177.584 0.025 0.000 1.053 127 A CA 1.141 53.203 52.037 0.042 0.000 0.755 127 A CB -0.819 18.191 19.000 0.016 0.000 0.978 127 A HN 0.958 nan 8.150 nan 0.000 0.507 128 G N 2.244 111.055 108.800 0.018 0.000 2.175 128 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 128 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 128 G C 0.921 175.831 174.900 0.017 0.000 0.982 128 G CA 0.618 45.724 45.100 0.009 0.000 0.641 128 G HN 0.824 nan 8.290 nan 0.000 0.527 129 R N 0.466 120.990 120.500 0.041 0.000 2.310 129 R HA 0.389 4.729 4.340 -0.000 0.000 0.202 129 R C 1.852 178.169 176.300 0.028 0.000 0.933 129 R CA 0.711 56.839 56.100 0.047 0.000 1.054 129 R CB 0.053 30.415 30.300 0.103 0.000 0.985 129 R HN 1.296 nan 8.270 nan 0.000 0.489 130 G N 2.018 110.826 108.800 0.013 0.000 2.225 130 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.264 130 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.264 130 G C 0.082 174.979 174.900 -0.006 0.000 1.060 130 G CA -0.280 44.819 45.100 -0.003 0.000 0.833 130 G HN 0.263 nan 8.290 nan 0.000 0.498 131 I N 0.729 121.294 120.570 -0.008 0.000 2.581 131 I HA 0.243 4.413 4.170 -0.000 0.000 0.285 131 I C 0.332 176.430 176.117 -0.031 0.000 1.129 131 I CA 0.533 61.820 61.300 -0.020 0.000 1.397 131 I CB 0.771 38.744 38.000 -0.045 0.000 1.399 131 I HN 0.229 nan 8.210 nan 0.000 0.537 132 D N 7.896 128.292 120.400 -0.007 0.000 2.411 132 D HA 0.437 5.076 4.640 -0.000 0.000 0.239 132 D C -1.185 175.133 176.300 0.030 0.000 1.307 132 D CA -0.442 53.561 54.000 0.005 0.000 0.930 132 D CB 0.544 41.354 40.800 0.017 0.000 1.395 132 D HN 0.278 nan 8.370 nan 0.000 0.536 133 L N 0.857 122.092 121.223 0.020 0.000 2.277 133 L HA 0.948 5.287 4.340 -0.000 0.000 0.254 133 L C -1.457 175.414 176.870 0.002 0.000 1.044 133 L CA -1.317 53.536 54.840 0.022 0.000 0.842 133 L CB 1.638 43.713 42.059 0.028 0.000 1.422 133 L HN 0.017 nan 8.230 nan 0.000 0.422 134 V N 0.618 120.523 119.914 -0.014 0.000 2.733 134 V HA 0.708 4.828 4.120 -0.000 0.000 0.306 134 V C -1.249 174.817 176.094 -0.047 0.000 1.084 134 V CA -0.451 61.836 62.300 -0.021 0.000 0.905 134 V CB 2.303 34.111 31.823 -0.025 0.000 1.010 134 V HN 0.698 nan 8.190 nan 0.000 0.424 135 V N 7.080 126.962 119.914 -0.053 0.000 2.407 135 V HA 0.437 4.556 4.120 -0.000 0.000 0.278 135 V C -0.050 176.011 176.094 -0.056 0.000 1.037 135 V CA -0.402 61.848 62.300 -0.083 0.000 0.900 135 V CB 1.744 33.507 31.823 -0.099 0.000 0.983 135 V HN 0.668 nan 8.190 nan 0.000 0.459 136 V N 6.645 126.523 119.914 -0.060 0.000 2.277 136 V HA 0.374 4.494 4.120 -0.000 0.000 0.269 136 V C 0.412 176.456 176.094 -0.084 0.000 1.036 136 V CA -0.507 61.771 62.300 -0.037 0.000 0.821 136 V CB 0.951 32.794 31.823 0.033 0.000 1.052 136 V HN 0.826 nan 8.190 nan 0.000 0.462 137 R N 4.100 124.538 120.500 -0.104 0.000 2.221 137 R HA 0.251 4.591 4.340 -0.000 0.000 0.327 137 R C 0.241 176.469 176.300 -0.120 0.000 1.033 137 R CA -0.523 55.507 56.100 -0.117 0.000 0.887 137 R CB 0.795 31.026 30.300 -0.115 0.000 1.057 137 R HN 0.667 nan 8.270 nan 0.000 0.455 138 E N 3.190 123.327 120.200 -0.104 0.000 2.452 138 E HA -0.134 4.216 4.350 -0.000 0.000 0.261 138 E C -0.513 176.035 176.600 -0.086 0.000 0.987 138 E CA 0.440 56.796 56.400 -0.073 0.000 0.926 138 E CB 0.831 30.490 29.700 -0.068 0.000 0.934 138 E HN 0.636 nan 8.360 nan 0.000 0.452 139 N N 2.473 121.139 118.700 -0.057 0.000 2.197 139 N HA -0.007 4.733 4.740 -0.000 0.000 0.201 139 N C 0.639 176.139 175.510 -0.017 0.000 1.148 139 N CA 0.662 53.678 53.050 -0.057 0.000 0.883 139 N CB 0.634 39.063 38.487 -0.097 0.000 1.012 139 N HN 0.335 nan 8.380 nan 0.000 0.507 140 V N -2.973 116.943 119.914 0.003 0.000 3.398 140 V HA 0.427 4.547 4.120 -0.000 0.000 0.298 140 V C 0.345 176.446 176.094 0.012 0.000 1.496 140 V CA -0.195 62.114 62.300 0.016 0.000 1.044 140 V CB -0.248 31.594 31.823 0.033 0.000 0.880 140 V HN 0.159 nan 8.190 nan 0.000 0.443 141 E N -0.323 119.876 120.200 -0.002 0.000 2.490 141 E HA 0.565 4.915 4.350 -0.000 0.000 0.176 141 E C -0.424 176.172 176.600 -0.007 0.000 0.781 141 E CA -0.223 56.179 56.400 0.004 0.000 0.911 141 E CB 0.291 29.992 29.700 0.001 0.000 2.014 141 E HN 0.042 nan 8.360 nan 0.000 0.388 142 D N -0.986 119.413 120.400 -0.003 0.000 3.672 142 D HA -0.230 4.410 4.640 -0.000 0.000 0.258 142 D C 0.605 176.927 176.300 0.037 0.000 1.876 142 D CA 1.417 55.410 54.000 -0.011 0.000 1.168 142 D CB -0.984 39.762 40.800 -0.089 0.000 0.839 142 D HN 0.468 nan 8.370 nan 0.000 1.037 143 L N -0.536 120.723 121.223 0.060 0.000 2.093 143 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 143 L C 1.927 178.963 176.870 0.277 0.000 1.085 143 L CA 0.840 55.776 54.840 0.162 0.000 0.755 143 L CB -0.437 41.745 42.059 0.205 0.000 0.904 143 L HN 0.447 nan 8.230 nan 0.000 0.435 144 Y N 0.092 120.385 120.300 -0.011 0.000 2.736 144 Y HA -0.134 4.416 4.550 -0.000 0.000 0.298 144 Y C 2.326 178.214 175.900 -0.020 0.000 1.156 144 Y CA 0.146 58.236 58.100 -0.018 0.000 1.384 144 Y CB -1.351 37.097 38.460 -0.020 0.000 0.976 144 Y HN 0.145 nan 8.280 nan 0.000 0.556 145 A N -0.260 122.640 122.820 0.133 0.000 2.015 145 A HA 0.202 4.522 4.320 -0.000 0.000 0.219 145 A C 2.248 179.845 177.584 0.022 0.000 1.163 145 A CA 1.101 53.174 52.037 0.060 0.000 0.646 145 A CB -0.943 18.084 19.000 0.046 0.000 0.806 145 A HN 0.586 nan 8.150 nan 0.000 0.448 146 G N -0.843 107.968 108.800 0.019 0.000 2.198 146 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.257 146 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.257 146 G C 0.037 174.908 174.900 -0.049 0.000 1.042 146 G CA 0.236 45.318 45.100 -0.030 0.000 0.791 146 G HN 0.551 nan 8.290 nan 0.000 0.502 147 I N 1.085 121.641 120.570 -0.023 0.000 2.329 147 I HA 0.277 4.446 4.170 -0.000 0.000 0.295 147 I C 0.533 176.617 176.117 -0.056 0.000 1.109 147 I CA 0.318 61.593 61.300 -0.040 0.000 1.297 147 I CB 0.270 38.285 38.000 0.024 0.000 1.433 147 I HN 0.192 nan 8.210 nan 0.000 0.509 148 E N 5.190 125.281 120.200 -0.181 0.000 2.288 148 E HA 0.605 4.954 4.350 -0.000 0.000 0.268 148 E C -1.316 175.051 176.600 -0.389 0.000 0.885 148 E CA -1.037 55.265 56.400 -0.163 0.000 0.767 148 E CB 2.316 31.945 29.700 -0.118 0.000 1.220 148 E HN 0.482 nan 8.360 nan 0.000 0.427 149 H N 0.596 119.614 119.070 -0.088 0.000 2.856 149 H HA 0.258 4.814 4.556 -0.000 0.000 0.355 149 H C -0.735 174.533 175.328 -0.100 0.000 1.079 149 H CA -0.797 55.192 56.048 -0.098 0.000 1.240 149 H CB 1.120 30.804 29.762 -0.131 0.000 1.701 149 H HN 0.189 nan 8.280 nan 0.000 0.527 150 M N 3.275 122.885 119.600 0.017 0.000 2.264 150 M HA 0.052 4.532 4.480 -0.000 0.000 0.340 150 M C 0.955 177.233 176.300 -0.036 0.000 1.420 150 M CA -0.011 55.272 55.300 -0.028 0.000 1.254 150 M CB 0.966 33.547 32.600 -0.032 0.000 1.575 150 M HN 0.712 nan 8.290 nan 0.000 0.452 151 Q N 1.246 120.985 119.800 -0.101 0.000 2.124 151 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 151 Q C 0.902 176.867 176.000 -0.057 0.000 0.977 151 Q CA 1.340 57.062 55.803 -0.135 0.000 0.850 151 Q CB -0.075 28.367 28.738 -0.494 0.000 0.901 151 Q HN 0.829 nan 8.270 nan 0.000 0.429 152 T N -5.013 109.498 114.554 -0.071 0.000 2.787 152 T HA 0.344 4.694 4.350 -0.000 0.000 0.297 152 T C -2.483 172.205 174.700 -0.020 0.000 1.221 152 T CA -1.749 60.346 62.100 -0.007 0.000 1.006 152 T CB 1.909 70.795 68.868 0.030 0.000 1.328 152 T HN -0.314 nan 8.240 nan 0.000 0.509 153 P HA -0.014 nan 4.420 nan 0.000 0.221 153 P C 1.089 178.380 177.300 -0.015 0.000 1.145 153 P CA 1.172 64.266 63.100 -0.010 0.000 0.795 153 P CB 0.042 31.741 31.700 -0.001 0.000 0.775 154 S N -3.320 112.371 115.700 -0.014 0.000 2.629 154 S HA 0.240 4.710 4.470 -0.000 0.000 0.236 154 S C 0.181 174.762 174.600 -0.031 0.000 1.010 154 S CA -0.362 57.828 58.200 -0.016 0.000 0.981 154 S CB -0.184 63.014 63.200 -0.004 0.000 0.919 154 S HN -0.179 nan 8.310 nan 0.000 0.514 155 V N 1.991 121.869 119.914 -0.059 0.000 2.482 155 V HA 0.804 4.924 4.120 -0.000 0.000 0.295 155 V C -0.043 175.980 176.094 -0.118 0.000 1.026 155 V CA -0.644 61.597 62.300 -0.098 0.000 0.856 155 V CB 1.052 32.775 31.823 -0.167 0.000 1.001 155 V HN 0.536 nan 8.190 nan 0.000 0.424 156 A N 4.384 127.157 122.820 -0.079 0.000 2.312 156 A HA 0.850 5.170 4.320 -0.000 0.000 0.328 156 A C -0.489 177.063 177.584 -0.053 0.000 1.158 156 A CA -0.524 51.475 52.037 -0.062 0.000 0.821 156 A CB 1.477 20.453 19.000 -0.040 0.000 1.170 156 A HN 0.806 nan 8.150 nan 0.000 0.490 157 Q N 0.776 120.555 119.800 -0.035 0.000 2.347 157 Q HA 0.598 4.938 4.340 -0.000 0.000 0.271 157 Q C -1.483 174.527 176.000 0.017 0.000 1.064 157 Q CA -0.418 55.382 55.803 -0.006 0.000 0.800 157 Q CB 2.005 30.733 28.738 -0.016 0.000 1.304 157 Q HN 0.650 nan 8.270 nan 0.000 0.438 158 T N 3.791 118.363 114.554 0.029 0.000 2.841 158 T HA 0.464 4.813 4.350 -0.000 0.000 0.283 158 T C -0.462 174.270 174.700 0.055 0.000 1.000 158 T CA -0.575 61.545 62.100 0.034 0.000 0.977 158 T CB 0.751 69.637 68.868 0.030 0.000 0.979 158 T HN 0.491 nan 8.240 nan 0.000 0.446 159 L N 2.928 124.187 121.223 0.059 0.000 2.292 159 L HA 0.505 4.845 4.340 -0.000 0.000 0.284 159 L C 0.454 177.365 176.870 0.068 0.000 1.065 159 L CA -0.692 54.189 54.840 0.067 0.000 0.806 159 L CB 0.996 43.094 42.059 0.065 0.000 1.175 159 L HN 0.444 nan 8.230 nan 0.000 0.431 160 K N 5.178 125.622 120.400 0.073 0.000 2.316 160 K HA 0.550 4.870 4.320 -0.000 0.000 0.267 160 K C -1.397 175.242 176.600 0.066 0.000 1.025 160 K CA -0.504 55.822 56.287 0.066 0.000 0.896 160 K CB 0.828 33.366 32.500 0.064 0.000 1.124 160 K HN 0.558 nan 8.250 nan 0.000 0.451 161 L N 5.934 127.190 121.223 0.056 0.000 2.313 161 L HA 0.514 4.854 4.340 -0.000 0.000 0.283 161 L C -0.606 176.291 176.870 0.045 0.000 1.013 161 L CA -1.033 53.842 54.840 0.058 0.000 0.816 161 L CB 1.513 43.605 42.059 0.055 0.000 1.236 161 L HN 0.525 nan 8.230 nan 0.000 0.419 162 I N 2.477 123.079 120.570 0.054 0.000 2.447 162 I HA 0.328 4.498 4.170 -0.000 0.000 0.287 162 I C 0.099 176.253 176.117 0.062 0.000 1.023 162 I CA -0.233 61.092 61.300 0.042 0.000 1.083 162 I CB 2.004 40.030 38.000 0.043 0.000 1.245 162 I HN 0.603 nan 8.210 nan 0.000 0.434 163 S N 5.339 121.066 115.700 0.045 0.000 2.593 163 S HA 0.353 4.823 4.470 -0.000 0.000 0.297 163 S C 0.811 175.462 174.600 0.084 0.000 1.112 163 S CA -0.731 57.516 58.200 0.078 0.000 1.043 163 S CB 2.170 65.404 63.200 0.057 0.000 1.054 163 S HN 0.796 nan 8.310 nan 0.000 0.516 164 W N 2.693 123.995 121.300 0.004 0.000 2.358 164 W HA -0.122 4.537 4.660 -0.000 0.000 0.303 164 W C 1.665 178.184 176.519 -0.000 0.000 1.208 164 W CA 1.687 59.036 57.345 0.008 0.000 1.274 164 W CB -0.324 29.136 29.460 -0.000 0.000 1.138 164 W HN 0.924 nan 8.180 nan 0.000 0.515 165 K N 0.100 120.541 120.400 0.069 0.000 2.020 165 K HA -0.172 4.147 4.320 -0.000 0.000 0.212 165 K C 2.307 178.806 176.600 -0.168 0.000 1.050 165 K CA 2.301 58.571 56.287 -0.028 0.000 0.929 165 K CB -0.903 31.619 32.500 0.038 0.000 0.714 165 K HN 0.183 nan 8.250 nan 0.000 0.443 166 G N -0.541 108.181 108.800 -0.130 0.000 2.422 166 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.218 166 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.218 166 G C 1.431 176.219 174.900 -0.187 0.000 1.140 166 G CA 0.844 45.853 45.100 -0.153 0.000 0.775 166 G HN 0.289 nan 8.290 nan 0.000 0.545 167 S N 0.094 115.660 115.700 -0.223 0.000 2.387 167 S HA -0.034 4.436 4.470 -0.000 0.000 0.226 167 S C 2.111 176.517 174.600 -0.325 0.000 1.026 167 S CA 0.901 58.958 58.200 -0.240 0.000 0.972 167 S CB -0.132 62.922 63.200 -0.243 0.000 0.814 167 S HN 0.412 nan 8.310 nan 0.000 0.477 168 E N 1.874 121.744 120.200 -0.551 0.000 2.077 168 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 168 E C 1.829 178.309 176.600 -0.201 0.000 0.989 168 E CA 1.153 57.258 56.400 -0.490 0.000 0.800 168 E CB -0.086 29.244 29.700 -0.615 0.000 0.746 168 E HN 0.430 nan 8.360 nan 0.000 0.452 169 K N 0.141 120.401 120.400 -0.234 0.000 2.009 169 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 169 K C 2.323 178.917 176.600 -0.010 0.000 1.049 169 K CA 1.404 57.540 56.287 -0.251 0.000 0.929 169 K CB -0.304 31.778 32.500 -0.697 0.000 0.714 169 K HN 0.099 nan 8.250 nan 0.000 0.440 170 I N 1.045 121.617 120.570 0.003 0.000 2.315 170 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 170 I C 2.041 178.255 176.117 0.163 0.000 1.117 170 I CA 1.036 62.430 61.300 0.157 0.000 1.404 170 I CB -0.095 37.939 38.000 0.058 0.000 1.071 170 I HN 0.032 nan 8.210 nan 0.000 0.419 171 V N -1.161 118.815 119.914 0.104 0.000 2.453 171 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 171 V C 2.618 178.844 176.094 0.220 0.000 1.048 171 V CA 1.792 64.188 62.300 0.161 0.000 1.049 171 V CB -1.246 30.735 31.823 0.264 0.000 0.672 171 V HN 0.410 nan 8.190 nan 0.000 0.457 172 R N -0.511 120.123 120.500 0.223 0.000 2.081 172 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 172 R C 2.183 178.588 176.300 0.176 0.000 1.131 172 R CA 1.905 58.142 56.100 0.228 0.000 0.960 172 R CB -0.476 29.953 30.300 0.215 0.000 0.856 172 R HN 0.573 nan 8.270 nan 0.000 0.436 173 F N 0.959 120.986 119.950 0.128 0.000 2.134 173 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 173 F C 2.135 177.908 175.800 -0.044 0.000 1.097 173 F CA 1.624 59.704 58.000 0.133 0.000 1.264 173 F CB -0.332 38.831 39.000 0.270 0.000 1.001 173 F HN 0.120 nan 8.300 nan 0.000 0.479 174 A N 0.034 122.951 122.820 0.162 0.000 1.908 174 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 174 A C 2.045 179.442 177.584 -0.313 0.000 1.181 174 A CA 1.825 53.819 52.037 -0.070 0.000 0.627 174 A CB -1.472 17.447 19.000 -0.135 0.000 0.818 174 A HN 0.427 nan 8.150 nan 0.000 0.445 175 F N 0.269 120.025 119.950 -0.325 0.000 2.146 175 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 175 F C 2.548 177.953 175.800 -0.657 0.000 1.096 175 F CA 1.557 59.190 58.000 -0.611 0.000 1.275 175 F CB -0.274 37.984 39.000 -1.237 0.000 1.008 175 F HN 0.184 nan 8.300 nan 0.000 0.480 176 E N 0.009 119.924 120.200 -0.474 0.000 2.110 176 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 176 E C 2.304 178.326 176.600 -0.963 0.000 0.988 176 E CA 0.844 56.893 56.400 -0.585 0.000 0.804 176 E CB -0.790 28.546 29.700 -0.607 0.000 0.745 176 E HN 0.310 nan 8.360 nan 0.000 0.458 177 L N 0.787 121.413 121.223 -0.996 0.000 2.056 177 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 177 L C 2.192 178.811 176.870 -0.417 0.000 1.078 177 L CA 1.994 56.345 54.840 -0.815 0.000 0.749 177 L CB -0.671 41.108 42.059 -0.466 0.000 0.901 177 L HN 0.034 nan 8.230 nan 0.000 0.433 178 A N -0.331 122.310 122.820 -0.299 0.000 1.902 178 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 178 A C 2.545 180.069 177.584 -0.101 0.000 1.181 178 A CA 1.798 53.743 52.037 -0.153 0.000 0.623 178 A CB -0.685 18.256 19.000 -0.099 0.000 0.818 178 A HN 0.515 nan 8.150 nan 0.000 0.443 179 R N -0.436 119.994 120.500 -0.117 0.000 2.189 179 R HA 0.016 4.355 4.340 -0.000 0.000 0.223 179 R C 1.826 178.098 176.300 -0.047 0.000 1.092 179 R CA 1.175 57.253 56.100 -0.038 0.000 0.989 179 R CB -0.257 30.055 30.300 0.020 0.000 0.876 179 R HN 0.421 nan 8.270 nan 0.000 0.457 180 A N 0.160 122.899 122.820 -0.135 0.000 2.195 180 A HA 0.057 4.377 4.320 -0.000 0.000 0.210 180 A C 0.978 178.602 177.584 0.066 0.000 1.165 180 A CA 0.370 52.394 52.037 -0.021 0.000 0.806 180 A CB 0.206 19.199 19.000 -0.013 0.000 0.847 180 A HN 0.432 nan 8.150 nan 0.000 0.482 181 E N -1.287 118.920 120.200 0.010 0.000 2.583 181 E HA 0.290 4.639 4.350 -0.000 0.000 0.213 181 E C 0.808 177.506 176.600 0.165 0.000 0.989 181 E CA 0.153 56.627 56.400 0.123 0.000 0.991 181 E CB 0.380 29.956 29.700 -0.205 0.000 1.040 181 E HN 0.607 nan 8.360 nan 0.000 0.481 182 G N 2.663 111.517 108.800 0.090 0.000 2.143 182 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.248 182 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.248 182 G C 0.086 175.024 174.900 0.064 0.000 0.991 182 G CA 0.053 45.200 45.100 0.078 0.000 0.689 182 G HN 0.148 nan 8.290 nan 0.000 0.522 183 R N -0.556 119.971 120.500 0.046 0.000 2.308 183 R HA 0.506 4.846 4.340 -0.000 0.000 0.305 183 R C 0.427 176.756 176.300 0.048 0.000 1.053 183 R CA -0.426 55.700 56.100 0.043 0.000 0.957 183 R CB 0.678 30.992 30.300 0.023 0.000 1.022 183 R HN 0.017 nan 8.270 nan 0.000 0.461 184 K N 1.447 121.882 120.400 0.058 0.000 2.437 184 K HA 0.133 4.453 4.320 -0.000 0.000 0.205 184 K C -0.308 176.341 176.600 0.082 0.000 1.026 184 K CA 0.130 56.458 56.287 0.067 0.000 1.153 184 K CB 0.451 32.984 32.500 0.055 0.000 0.863 184 K HN 0.306 nan 8.250 nan 0.000 0.502 185 K N 0.057 120.509 120.400 0.086 0.000 2.543 185 K HA 0.390 4.709 4.320 -0.000 0.000 0.255 185 K C -1.664 174.999 176.600 0.104 0.000 0.934 185 K CA -0.653 55.695 56.287 0.101 0.000 0.810 185 K CB 1.761 34.326 32.500 0.108 0.000 1.315 185 K HN -0.194 nan 8.250 nan 0.000 0.433 186 V N 3.582 123.548 119.914 0.087 0.000 2.531 186 V HA 0.353 4.473 4.120 -0.000 0.000 0.301 186 V C -1.113 175.026 176.094 0.074 0.000 1.034 186 V CA -0.850 61.471 62.300 0.035 0.000 0.865 186 V CB 1.524 33.210 31.823 -0.228 0.000 0.995 186 V HN 0.786 nan 8.190 nan 0.000 0.424 187 H N 2.068 121.131 119.070 -0.012 0.000 2.458 187 H HA 0.544 5.100 4.556 -0.000 0.000 0.330 187 H C -0.362 174.737 175.328 -0.382 0.000 1.111 187 H CA -0.128 55.874 56.048 -0.078 0.000 1.245 187 H CB 1.502 31.300 29.762 0.059 0.000 1.456 187 H HN 0.748 nan 8.280 nan 0.000 0.488 188 C N 4.160 123.120 119.300 -0.567 0.000 2.293 188 C HA 0.793 5.253 4.460 -0.000 0.000 0.323 188 C C 0.024 174.690 174.990 -0.540 0.000 1.240 188 C CA -0.447 58.092 59.018 -0.798 0.000 1.497 188 C CB -1.652 25.114 27.740 -1.622 0.000 2.171 188 C HN 0.865 nan 8.230 nan 0.000 0.465 189 A N 5.312 127.906 122.820 -0.377 0.000 2.260 189 A HA 0.800 5.120 4.320 -0.000 0.000 0.308 189 A C 0.318 177.768 177.584 -0.224 0.000 1.254 189 A CA 0.103 51.949 52.037 -0.319 0.000 0.874 189 A CB 0.529 19.385 19.000 -0.241 0.000 1.153 189 A HN 1.219 nan 8.150 nan 0.000 0.527 190 T N -0.873 113.582 114.554 -0.166 0.000 2.787 190 T HA 0.612 4.962 4.350 -0.000 0.000 0.297 190 T C -0.460 174.274 174.700 0.057 0.000 1.221 190 T CA -0.708 61.395 62.100 0.005 0.000 1.006 190 T CB 1.591 70.551 68.868 0.154 0.000 1.328 190 T HN 0.328 nan 8.240 nan 0.000 0.509 191 K N 0.621 121.057 120.400 0.061 0.000 3.135 191 K HA 0.504 4.824 4.320 -0.000 0.000 0.210 191 K C 1.065 177.712 176.600 0.077 0.000 1.176 191 K CA -0.312 56.012 56.287 0.063 0.000 1.064 191 K CB -0.518 32.003 32.500 0.036 0.000 1.009 191 K HN 0.534 nan 8.250 nan 0.000 0.472 192 S N 0.529 116.295 115.700 0.109 0.000 2.507 192 S HA -0.107 4.362 4.470 -0.000 0.000 0.235 192 S C 1.386 176.018 174.600 0.053 0.000 0.988 192 S CA 1.000 59.245 58.200 0.075 0.000 0.944 192 S CB -0.317 62.916 63.200 0.054 0.000 0.762 192 S HN 0.644 nan 8.310 nan 0.000 0.526 193 N N 1.732 120.469 118.700 0.062 0.000 2.354 193 N HA 0.013 4.753 4.740 -0.000 0.000 0.179 193 N C 1.329 176.865 175.510 0.043 0.000 1.021 193 N CA 0.834 53.913 53.050 0.047 0.000 0.887 193 N CB -0.340 38.179 38.487 0.054 0.000 0.974 193 N HN 0.420 nan 8.380 nan 0.000 0.437 194 I N -0.417 120.182 120.570 0.048 0.000 2.729 194 I HA 0.135 4.304 4.170 -0.000 0.000 0.256 194 I C 0.693 176.840 176.117 0.050 0.000 1.115 194 I CA 0.452 61.780 61.300 0.046 0.000 1.446 194 I CB 0.101 38.128 38.000 0.044 0.000 1.176 194 I HN -0.065 nan 8.210 nan 0.000 0.446 195 M N 1.379 121.011 119.600 0.054 0.000 2.901 195 M HA 0.194 4.673 4.480 -0.000 0.000 0.294 195 M C 0.850 177.186 176.300 0.061 0.000 1.255 195 M CA -0.086 55.250 55.300 0.060 0.000 1.274 195 M CB 0.636 33.272 32.600 0.060 0.000 1.173 195 M HN -0.013 nan 8.290 nan 0.000 0.525 196 K N 0.597 121.030 120.400 0.055 0.000 2.103 196 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 196 K C 1.397 178.035 176.600 0.064 0.000 1.048 196 K CA 1.270 57.587 56.287 0.050 0.000 0.930 196 K CB 0.053 32.576 32.500 0.037 0.000 0.716 196 K HN 0.559 nan 8.250 nan 0.000 0.444 197 L N 0.011 121.279 121.223 0.074 0.000 2.084 197 L HA -0.015 4.325 4.340 -0.000 0.000 0.202 197 L C 2.622 179.552 176.870 0.100 0.000 1.074 197 L CA 0.863 55.758 54.840 0.092 0.000 0.757 197 L CB -0.605 41.516 42.059 0.104 0.000 0.918 197 L HN 0.160 nan 8.230 nan 0.000 0.444 198 A N -0.076 122.798 122.820 0.091 0.000 1.826 198 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 198 A C 2.175 179.801 177.584 0.070 0.000 1.212 198 A CA 1.118 53.204 52.037 0.082 0.000 0.605 198 A CB -0.461 18.583 19.000 0.074 0.000 0.861 198 A HN 0.289 nan 8.150 nan 0.000 0.447 199 E N -0.303 119.934 120.200 0.062 0.000 2.153 199 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 199 E C 2.063 178.707 176.600 0.073 0.000 0.988 199 E CA 1.037 57.471 56.400 0.056 0.000 0.811 199 E CB -0.589 29.144 29.700 0.055 0.000 0.746 199 E HN 0.585 nan 8.360 nan 0.000 0.466 200 G N 0.543 109.390 108.800 0.078 0.000 2.470 200 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 200 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 200 G C 1.621 176.591 174.900 0.117 0.000 1.121 200 G CA 1.178 46.327 45.100 0.082 0.000 0.766 200 G HN 0.208 nan 8.290 nan 0.000 0.553 201 T N 0.785 115.414 114.554 0.125 0.000 2.821 201 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 201 T C 2.211 176.979 174.700 0.112 0.000 1.046 201 T CA 1.021 63.223 62.100 0.170 0.000 1.139 201 T CB -0.125 68.838 68.868 0.159 0.000 0.871 201 T HN 0.163 nan 8.240 nan 0.000 0.454 202 L N 1.320 122.581 121.223 0.064 0.000 2.056 202 L HA 0.090 4.430 4.340 -0.000 0.000 0.207 202 L C 2.353 179.291 176.870 0.115 0.000 1.078 202 L CA 1.789 56.649 54.840 0.033 0.000 0.749 202 L CB -0.456 41.605 42.059 0.004 0.000 0.901 202 L HN 0.075 nan 8.230 nan 0.000 0.433 203 K N -0.678 119.808 120.400 0.143 0.000 2.026 203 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 203 K C 2.279 179.028 176.600 0.248 0.000 1.048 203 K CA 1.567 57.976 56.287 0.204 0.000 0.929 203 K CB -0.107 32.437 32.500 0.073 0.000 0.713 203 K HN 0.276 nan 8.250 nan 0.000 0.439 204 R N -0.179 120.449 120.500 0.214 0.000 2.092 204 R HA -0.062 4.278 4.340 -0.000 0.000 0.231 204 R C 2.389 178.884 176.300 0.327 0.000 1.119 204 R CA 1.129 57.391 56.100 0.270 0.000 0.970 204 R CB -0.265 30.220 30.300 0.308 0.000 0.864 204 R HN 0.261 nan 8.270 nan 0.000 0.440 205 A N 0.774 123.700 122.820 0.177 0.000 1.930 205 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 205 A C 1.905 179.555 177.584 0.110 0.000 1.175 205 A CA 0.918 52.867 52.037 -0.146 0.000 0.627 205 A CB -0.566 18.065 19.000 -0.616 0.000 0.815 205 A HN 0.332 nan 8.150 nan 0.000 0.443 206 F N 1.312 121.296 119.950 0.058 0.000 2.069 206 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 206 F C 2.191 178.128 175.800 0.228 0.000 1.113 206 F CA 2.263 60.362 58.000 0.165 0.000 1.214 206 F CB -0.436 38.647 39.000 0.138 0.000 0.978 206 F HN 0.395 nan 8.300 nan 0.000 0.474 207 E N -0.514 119.785 120.200 0.164 0.000 2.077 207 E HA -0.281 4.069 4.350 -0.000 0.000 0.193 207 E C 2.212 178.819 176.600 0.012 0.000 0.989 207 E CA 1.334 57.755 56.400 0.034 0.000 0.800 207 E CB -0.390 29.386 29.700 0.126 0.000 0.746 207 E HN 0.584 nan 8.360 nan 0.000 0.452 208 Q N 0.644 120.511 119.800 0.111 0.000 2.083 208 Q HA -0.116 4.224 4.340 -0.000 0.000 0.198 208 Q C 2.240 178.273 176.000 0.056 0.000 0.969 208 Q CA 1.018 56.893 55.803 0.121 0.000 0.838 208 Q CB 0.277 29.186 28.738 0.284 0.000 0.900 208 Q HN 0.122 nan 8.270 nan 0.000 0.436 209 V N 0.847 120.796 119.914 0.059 0.000 2.626 209 V HA -0.199 3.920 4.120 -0.000 0.000 0.252 209 V C 2.258 178.240 176.094 -0.187 0.000 1.067 209 V CA 1.417 63.734 62.300 0.029 0.000 1.081 209 V CB -0.832 31.070 31.823 0.133 0.000 0.686 209 V HN 0.451 nan 8.190 nan 0.000 0.468 210 A N -0.225 122.380 122.820 -0.357 0.000 1.940 210 A HA -0.313 4.007 4.320 -0.000 0.000 0.219 210 A C 2.140 179.494 177.584 -0.383 0.000 1.176 210 A CA 1.913 53.538 52.037 -0.687 0.000 0.631 210 A CB -0.499 18.213 19.000 -0.480 0.000 0.814 210 A HN 0.638 nan 8.150 nan 0.000 0.446 211 Q N -0.462 119.210 119.800 -0.213 0.000 2.308 211 Q HA -0.202 4.137 4.340 -0.000 0.000 0.209 211 Q C 1.364 177.251 176.000 -0.188 0.000 0.985 211 Q CA 1.497 57.209 55.803 -0.152 0.000 0.881 211 Q CB -0.193 28.492 28.738 -0.089 0.000 0.917 211 Q HN 0.778 nan 8.270 nan 0.000 0.443 212 E N -0.701 119.353 120.200 -0.244 0.000 2.478 212 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 212 E C -0.424 175.762 176.600 -0.689 0.000 1.045 212 E CA 0.196 56.354 56.400 -0.404 0.000 0.868 212 E CB 0.477 29.928 29.700 -0.415 0.000 0.885 212 E HN 0.370 nan 8.360 nan 0.000 0.505 213 Y N 0.380 120.452 120.300 -0.379 0.000 2.495 213 Y HA 0.191 4.741 4.550 -0.000 0.000 0.362 213 Y C -1.747 174.005 175.900 -0.247 0.000 0.956 213 Y CA -1.988 55.907 58.100 -0.341 0.000 1.127 213 Y CB 0.872 38.998 38.460 -0.556 0.000 1.173 213 Y HN 0.040 nan 8.280 nan 0.000 0.639 214 P HA -0.179 nan 4.420 nan 0.000 0.225 214 P C 0.658 177.951 177.300 -0.012 0.000 1.148 214 P CA 1.490 64.554 63.100 -0.060 0.000 0.779 214 P CB 0.393 32.051 31.700 -0.070 0.000 0.780 215 D N -0.887 119.520 120.400 0.011 0.000 2.347 215 D HA -0.036 4.603 4.640 -0.000 0.000 0.215 215 D C 0.705 177.048 176.300 0.072 0.000 0.976 215 D CA 0.412 54.435 54.000 0.038 0.000 0.884 215 D CB -0.030 40.795 40.800 0.042 0.000 0.915 215 D HN 0.148 nan 8.370 nan 0.000 0.526 216 I N 1.277 121.910 120.570 0.105 0.000 2.441 216 I HA 0.228 4.398 4.170 -0.000 0.000 0.295 216 I C 0.283 176.490 176.117 0.150 0.000 0.994 216 I CA -1.177 60.218 61.300 0.158 0.000 1.144 216 I CB 1.643 39.822 38.000 0.298 0.000 1.314 216 I HN -0.056 nan 8.210 nan 0.000 0.445 217 E N 4.485 124.763 120.200 0.131 0.000 2.223 217 E HA 0.507 4.857 4.350 -0.000 0.000 0.282 217 E C -0.785 175.909 176.600 0.155 0.000 1.046 217 E CA -0.537 55.925 56.400 0.104 0.000 0.857 217 E CB 1.077 30.814 29.700 0.062 0.000 1.055 217 E HN 0.723 nan 8.360 nan 0.000 0.409 218 A N 4.585 127.503 122.820 0.164 0.000 2.249 218 A HA 0.476 4.796 4.320 -0.000 0.000 0.314 218 A C -0.907 176.835 177.584 0.264 0.000 1.290 218 A CA -0.637 51.557 52.037 0.263 0.000 0.893 218 A CB 0.983 19.997 19.000 0.024 0.000 1.165 218 A HN 0.437 nan 8.150 nan 0.000 0.530 219 V N 4.241 124.298 119.914 0.238 0.000 2.487 219 V HA 0.305 4.425 4.120 -0.000 0.000 0.298 219 V C -0.126 176.026 176.094 0.096 0.000 1.028 219 V CA -0.676 61.655 62.300 0.052 0.000 0.860 219 V CB 1.565 33.167 31.823 -0.368 0.000 0.991 219 V HN 0.973 nan 8.190 nan 0.000 0.427 220 H N 5.536 124.676 119.070 0.116 0.000 2.467 220 H HA 0.700 5.256 4.556 -0.000 0.000 0.331 220 H C -1.364 174.005 175.328 0.068 0.000 1.120 220 H CA -0.433 55.639 56.048 0.040 0.000 1.270 220 H CB 1.934 31.755 29.762 0.098 0.000 1.466 220 H HN 0.668 nan 8.280 nan 0.000 0.504 221 I N 5.785 125.957 120.570 -0.663 0.000 2.656 221 I HA 0.239 4.409 4.170 -0.000 0.000 0.292 221 I C -0.684 175.199 176.117 -0.390 0.000 1.144 221 I CA -0.902 60.245 61.300 -0.255 0.000 1.038 221 I CB 1.904 39.931 38.000 0.045 0.000 1.244 221 I HN 0.539 nan 8.210 nan 0.000 0.420 222 I N 7.222 127.745 120.570 -0.078 0.000 2.588 222 I HA 0.027 4.196 4.170 -0.000 0.000 0.283 222 I C 1.336 177.431 176.117 -0.038 0.000 1.119 222 I CA 0.098 61.397 61.300 -0.002 0.000 1.419 222 I CB 1.506 39.557 38.000 0.084 0.000 1.394 222 I HN 0.511 nan 8.210 nan 0.000 0.562 223 V N 5.938 125.823 119.914 -0.049 0.000 2.380 223 V HA -0.313 3.807 4.120 -0.000 0.000 0.251 223 V C 2.007 178.086 176.094 -0.026 0.000 1.063 223 V CA 2.783 65.047 62.300 -0.060 0.000 1.055 223 V CB -0.571 31.218 31.823 -0.057 0.000 0.657 223 V HN 1.043 nan 8.190 nan 0.000 0.455 224 D N -0.083 120.319 120.400 0.003 0.000 2.084 224 D HA -0.229 4.411 4.640 -0.000 0.000 0.196 224 D C 1.928 178.260 176.300 0.052 0.000 0.985 224 D CA 1.818 55.831 54.000 0.020 0.000 0.826 224 D CB -1.158 39.653 40.800 0.018 0.000 0.978 224 D HN 0.550 nan 8.370 nan 0.000 0.456 225 N N 0.945 119.682 118.700 0.063 0.000 2.205 225 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 225 N C 1.709 177.324 175.510 0.175 0.000 1.015 225 N CA 1.905 55.037 53.050 0.136 0.000 0.862 225 N CB -0.363 38.197 38.487 0.121 0.000 0.986 225 N HN 0.261 nan 8.380 nan 0.000 0.429 226 A N 0.122 122.984 122.820 0.070 0.000 1.930 226 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 226 A C 2.354 179.912 177.584 -0.043 0.000 1.175 226 A CA 1.730 53.766 52.037 -0.002 0.000 0.627 226 A CB -1.138 17.787 19.000 -0.126 0.000 0.815 226 A HN 0.436 nan 8.150 nan 0.000 0.443 227 A N -0.872 121.941 122.820 -0.011 0.000 1.898 227 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 227 A C 2.128 179.744 177.584 0.054 0.000 1.181 227 A CA 1.684 53.714 52.037 -0.012 0.000 0.620 227 A CB -0.970 18.034 19.000 0.007 0.000 0.819 227 A HN 0.815 nan 8.150 nan 0.000 0.442 228 H N -0.785 118.295 119.070 0.015 0.000 2.321 228 H HA -0.124 4.432 4.556 -0.000 0.000 0.300 228 H C 1.779 177.150 175.328 0.071 0.000 1.087 228 H CA 1.762 57.834 56.048 0.041 0.000 1.319 228 H CB -0.087 29.699 29.762 0.040 0.000 1.379 228 H HN 0.399 nan 8.280 nan 0.000 0.501 229 Q N 0.753 120.492 119.800 -0.102 0.000 2.119 229 Q HA -0.057 4.283 4.340 -0.000 0.000 0.201 229 Q C 2.849 178.919 176.000 0.117 0.000 0.972 229 Q CA 0.619 56.383 55.803 -0.065 0.000 0.847 229 Q CB -0.190 28.679 28.738 0.219 0.000 0.903 229 Q HN 0.525 nan 8.270 nan 0.000 0.433 230 L N -0.141 121.138 121.223 0.094 0.000 2.191 230 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 230 L C 2.180 179.018 176.870 -0.054 0.000 1.103 230 L CA 0.594 55.442 54.840 0.012 0.000 0.769 230 L CB -0.100 41.844 42.059 -0.192 0.000 0.908 230 L HN 0.027 nan 8.230 nan 0.000 0.438 231 V N -0.871 119.020 119.914 -0.037 0.000 2.575 231 V HA -0.159 3.960 4.120 -0.000 0.000 0.242 231 V C 2.345 178.496 176.094 0.096 0.000 1.045 231 V CA 1.194 63.498 62.300 0.007 0.000 1.065 231 V CB -0.190 31.670 31.823 0.061 0.000 0.717 231 V HN 0.343 nan 8.190 nan 0.000 0.467 232 K N 0.715 121.105 120.400 -0.017 0.000 2.025 232 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 232 K C 1.480 178.101 176.600 0.036 0.000 1.049 232 K CA 1.292 57.567 56.287 -0.020 0.000 0.933 232 K CB 0.173 32.540 32.500 -0.222 0.000 0.714 232 K HN 0.245 nan 8.250 nan 0.000 0.438 233 R N 0.068 120.563 120.500 -0.008 0.000 2.754 233 R HA 0.169 4.509 4.340 -0.000 0.000 0.255 233 R C -2.362 173.927 176.300 -0.018 0.000 1.723 233 R CA -0.978 55.117 56.100 -0.008 0.000 1.596 233 R CB 1.262 31.518 30.300 -0.073 0.000 1.424 233 R HN 0.045 nan 8.270 nan 0.000 0.662 234 P HA -0.183 nan 4.420 nan 0.000 0.222 234 P C 0.466 177.804 177.300 0.065 0.000 1.147 234 P CA 1.041 64.199 63.100 0.096 0.000 0.790 234 P CB 0.333 31.978 31.700 -0.092 0.000 0.780 235 E N 1.417 121.612 120.200 -0.009 0.000 2.515 235 E HA -0.195 4.155 4.350 -0.000 0.000 0.201 235 E C 1.693 178.240 176.600 -0.088 0.000 1.071 235 E CA 0.635 57.021 56.400 -0.023 0.000 0.880 235 E CB -0.668 29.027 29.700 -0.009 0.000 0.828 235 E HN 0.532 nan 8.360 nan 0.000 0.540 236 Q N -0.149 119.511 119.800 -0.234 0.000 2.424 236 Q HA 0.086 4.426 4.340 -0.000 0.000 0.204 236 Q C -0.086 175.637 176.000 -0.461 0.000 0.933 236 Q CA 0.118 55.688 55.803 -0.388 0.000 0.929 236 Q CB -0.165 28.215 28.738 -0.596 0.000 1.037 236 Q HN 0.087 nan 8.270 nan 0.000 0.511 237 F N 1.156 121.034 119.950 -0.120 0.000 2.397 237 F HA 0.364 4.891 4.527 -0.000 0.000 0.331 237 F C 1.021 176.789 175.800 -0.054 0.000 1.090 237 F CA -0.724 57.191 58.000 -0.143 0.000 1.065 237 F CB 1.604 40.469 39.000 -0.225 0.000 1.184 237 F HN -0.051 nan 8.300 nan 0.000 0.499 238 E N 0.312 120.632 120.200 0.201 0.000 2.870 238 E HA 0.258 4.608 4.350 -0.000 0.000 0.185 238 E C -0.923 175.722 176.600 0.076 0.000 1.084 238 E CA 0.206 56.673 56.400 0.112 0.000 1.246 238 E CB 0.830 30.588 29.700 0.097 0.000 1.382 238 E HN 0.212 nan 8.360 nan 0.000 0.492 239 V N 2.652 122.617 119.914 0.084 0.000 2.540 239 V HA 0.419 4.538 4.120 -0.000 0.000 0.302 239 V C -0.654 175.445 176.094 0.008 0.000 1.035 239 V CA -0.538 61.767 62.300 0.009 0.000 0.873 239 V CB 1.839 33.633 31.823 -0.047 0.000 0.992 239 V HN 0.185 nan 8.190 nan 0.000 0.428 240 I N 4.801 125.327 120.570 -0.074 0.000 2.447 240 I HA 0.524 4.693 4.170 -0.000 0.000 0.287 240 I C -0.754 175.268 176.117 -0.158 0.000 1.023 240 I CA -0.823 60.394 61.300 -0.139 0.000 1.083 240 I CB 2.089 39.925 38.000 -0.272 0.000 1.245 240 I HN 0.380 nan 8.210 nan 0.000 0.434 241 V N 6.001 125.797 119.914 -0.197 0.000 2.555 241 V HA 0.754 4.874 4.120 -0.000 0.000 0.302 241 V C -0.442 175.523 176.094 -0.215 0.000 1.038 241 V CA 0.231 62.421 62.300 -0.183 0.000 0.887 241 V CB 2.063 33.781 31.823 -0.176 0.000 0.991 241 V HN 0.889 nan 8.190 nan 0.000 0.434 242 T N 3.145 117.599 114.554 -0.167 0.000 2.739 242 T HA 0.513 4.863 4.350 -0.000 0.000 0.303 242 T C -0.230 174.391 174.700 -0.132 0.000 1.389 242 T CA 0.215 62.218 62.100 -0.162 0.000 1.001 242 T CB 1.672 70.437 68.868 -0.171 0.000 1.436 242 T HN 1.045 nan 8.240 nan 0.000 0.500 243 T N 1.620 116.101 114.554 -0.122 0.000 2.813 243 T HA 0.228 4.578 4.350 -0.000 0.000 0.297 243 T C 1.451 176.049 174.700 -0.170 0.000 1.036 243 T CA -0.414 61.613 62.100 -0.121 0.000 1.044 243 T CB 0.274 69.084 68.868 -0.096 0.000 0.993 243 T HN 0.598 nan 8.240 nan 0.000 0.535 244 N N 0.465 119.046 118.700 -0.198 0.000 2.027 244 N HA -0.220 4.520 4.740 -0.000 0.000 0.200 244 N C 1.801 177.012 175.510 -0.498 0.000 1.042 244 N CA 2.371 55.237 53.050 -0.306 0.000 0.871 244 N CB -0.516 37.786 38.487 -0.308 0.000 1.063 244 N HN 0.840 nan 8.380 nan 0.000 0.438 245 M N 0.439 119.672 119.600 -0.611 0.000 2.086 245 M HA -0.159 4.321 4.480 -0.000 0.000 0.261 245 M C 1.436 177.572 176.300 -0.273 0.000 1.067 245 M CA 1.569 56.481 55.300 -0.647 0.000 1.116 245 M CB -0.201 32.177 32.600 -0.370 0.000 1.348 245 M HN 0.078 nan 8.290 nan 0.000 0.407 246 N N 0.688 119.273 118.700 -0.190 0.000 2.104 246 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 246 N C 1.734 177.163 175.510 -0.134 0.000 1.024 246 N CA 1.825 54.798 53.050 -0.128 0.000 0.853 246 N CB -0.976 37.440 38.487 -0.118 0.000 1.008 246 N HN 0.604 nan 8.380 nan 0.000 0.424 247 G N 0.368 109.071 108.800 -0.160 0.000 2.432 247 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 247 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 247 G C 1.331 176.167 174.900 -0.108 0.000 1.135 247 G CA 0.984 46.000 45.100 -0.140 0.000 0.767 247 G HN 0.344 nan 8.290 nan 0.000 0.550 248 D N 0.531 120.863 120.400 -0.113 0.000 2.097 248 D HA -0.090 4.550 4.640 -0.000 0.000 0.195 248 D C 2.452 178.752 176.300 0.001 0.000 0.989 248 D CA 0.847 54.832 54.000 -0.024 0.000 0.827 248 D CB -0.189 40.648 40.800 0.062 0.000 0.966 248 D HN 0.379 nan 8.370 nan 0.000 0.456 249 I N -0.105 120.458 120.570 -0.013 0.000 2.233 249 I HA -0.173 3.997 4.170 -0.000 0.000 0.243 249 I C 2.381 178.479 176.117 -0.033 0.000 1.093 249 I CA 0.523 61.820 61.300 -0.005 0.000 1.380 249 I CB -0.224 37.776 38.000 -0.002 0.000 1.067 249 I HN 0.091 nan 8.210 nan 0.000 0.413 250 L N 0.629 121.811 121.223 -0.068 0.000 2.083 250 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 250 L C 2.847 179.662 176.870 -0.092 0.000 1.083 250 L CA 1.706 56.485 54.840 -0.101 0.000 0.752 250 L CB -0.758 41.210 42.059 -0.152 0.000 0.899 250 L HN 0.381 nan 8.230 nan 0.000 0.433 251 S N -0.968 114.688 115.700 -0.073 0.000 2.383 251 S HA -0.183 4.287 4.470 -0.000 0.000 0.227 251 S C 1.445 176.033 174.600 -0.019 0.000 1.026 251 S CA 1.383 59.552 58.200 -0.052 0.000 0.981 251 S CB -0.379 62.796 63.200 -0.041 0.000 0.818 251 S HN 0.350 nan 8.310 nan 0.000 0.472 252 D N 1.393 121.789 120.400 -0.006 0.000 2.183 252 D HA 0.098 4.738 4.640 -0.000 0.000 0.203 252 D C 1.846 178.153 176.300 0.012 0.000 0.969 252 D CA 0.594 54.606 54.000 0.019 0.000 0.842 252 D CB -0.278 40.541 40.800 0.032 0.000 0.957 252 D HN 0.394 nan 8.370 nan 0.000 0.484 253 L N 0.637 121.851 121.223 -0.014 0.000 2.017 253 L HA -0.173 4.166 4.340 -0.000 0.000 0.208 253 L C 2.207 179.052 176.870 -0.043 0.000 1.073 253 L CA 1.815 56.641 54.840 -0.024 0.000 0.745 253 L CB -0.662 41.369 42.059 -0.046 0.000 0.894 253 L HN 0.168 nan 8.230 nan 0.000 0.432 254 T N -3.137 111.379 114.554 -0.063 0.000 2.867 254 T HA -0.161 4.188 4.350 -0.000 0.000 0.268 254 T C 2.057 176.740 174.700 -0.027 0.000 1.057 254 T CA 1.232 63.285 62.100 -0.079 0.000 1.136 254 T CB -0.776 68.038 68.868 -0.090 0.000 0.874 254 T HN 0.601 nan 8.240 nan 0.000 0.466 255 S N 1.628 117.340 115.700 0.021 0.000 2.399 255 S HA 0.072 4.542 4.470 -0.000 0.000 0.231 255 S C 2.355 177.010 174.600 0.091 0.000 1.022 255 S CA 0.927 59.176 58.200 0.081 0.000 0.983 255 S CB -1.336 61.925 63.200 0.102 0.000 0.803 255 S HN 0.673 nan 8.310 nan 0.000 0.480 256 G N 0.883 109.718 108.800 0.059 0.000 2.679 256 G HA2 0.173 4.133 3.960 -0.000 0.000 0.212 256 G HA3 0.173 4.133 3.960 -0.000 0.000 0.212 256 G C 1.232 176.174 174.900 0.069 0.000 1.137 256 G CA 0.370 45.515 45.100 0.075 0.000 0.787 256 G HN 0.549 nan 8.290 nan 0.000 0.534 257 L N -0.054 121.170 121.223 0.001 0.000 2.375 257 L HA 0.218 4.558 4.340 -0.000 0.000 0.215 257 L C 1.569 178.462 176.870 0.038 0.000 1.108 257 L CA 0.346 55.142 54.840 -0.074 0.000 0.830 257 L CB 0.141 42.010 42.059 -0.317 0.000 0.959 257 L HN 0.333 nan 8.230 nan 0.000 0.457 258 I N -4.180 116.430 120.570 0.066 0.000 3.817 258 I HA 0.593 4.763 4.170 -0.000 0.000 0.325 258 I C 0.779 176.961 176.117 0.107 0.000 1.550 258 I CA -0.118 61.233 61.300 0.084 0.000 1.100 258 I CB 0.627 38.666 38.000 0.065 0.000 1.216 258 I HN 0.004 nan 8.210 nan 0.000 0.481 259 G N -0.639 108.242 108.800 0.134 0.000 2.421 259 G HA2 0.338 4.298 3.960 -0.000 0.000 0.188 259 G HA3 0.338 4.298 3.960 -0.000 0.000 0.188 259 G C 0.719 175.814 174.900 0.325 0.000 1.001 259 G CA -0.123 45.085 45.100 0.179 0.000 0.693 259 G HN 1.576 nan 8.290 nan 0.000 0.479 260 G N -0.951 108.008 108.800 0.265 0.000 2.592 260 G HA2 0.086 4.046 3.960 -0.000 0.000 0.684 260 G HA3 0.086 4.046 3.960 -0.000 0.000 0.684 260 G C 0.701 175.722 174.900 0.202 0.000 1.291 260 G CA -0.095 45.127 45.100 0.204 0.000 0.891 260 G HN 1.025 nan 8.290 nan 0.000 0.544 261 L N 1.010 122.307 121.223 0.123 0.000 2.261 261 L HA 0.027 4.367 4.340 -0.000 0.000 0.216 261 L C 2.985 179.902 176.870 0.077 0.000 1.114 261 L CA 1.732 56.644 54.840 0.120 0.000 0.777 261 L CB -0.453 41.679 42.059 0.122 0.000 0.910 261 L HN 0.867 nan 8.230 nan 0.000 0.440 262 G N -0.995 107.741 108.800 -0.107 0.000 2.625 262 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.214 262 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.214 262 G C 0.791 175.331 174.900 -0.600 0.000 1.132 262 G CA 0.164 45.024 45.100 -0.400 0.000 0.782 262 G HN 0.340 nan 8.290 nan 0.000 0.538 263 F N 0.299 120.249 119.950 -0.001 0.000 2.764 263 F HA 0.569 5.095 4.527 -0.000 0.000 0.310 263 F C 0.846 176.711 175.800 0.107 0.000 1.124 263 F CA -1.040 56.931 58.000 -0.049 0.000 1.252 263 F CB 0.742 39.670 39.000 -0.119 0.000 1.010 263 F HN 0.113 nan 8.300 nan 0.000 0.518 264 A N 2.742 125.692 122.820 0.216 0.000 2.316 264 A HA 0.645 4.965 4.320 -0.000 0.000 0.324 264 A C -2.651 175.002 177.584 0.115 0.000 1.375 264 A CA -1.457 50.691 52.037 0.185 0.000 0.882 264 A CB 0.355 19.442 19.000 0.146 0.000 1.152 264 A HN -0.063 nan 8.150 nan 0.000 0.512 265 P HA 0.606 nan 4.420 nan 0.000 0.284 265 P C -0.409 176.939 177.300 0.081 0.000 1.287 265 P CA -0.356 62.802 63.100 0.096 0.000 0.824 265 P CB 1.911 33.697 31.700 0.143 0.000 1.180 266 S N -1.467 114.275 115.700 0.069 0.000 2.567 266 S HA 0.754 5.224 4.470 -0.000 0.000 0.270 266 S C -1.728 172.897 174.600 0.042 0.000 1.152 266 S CA -0.848 57.377 58.200 0.042 0.000 0.835 266 S CB 1.015 64.204 63.200 -0.018 0.000 1.115 266 S HN 0.646 nan 8.310 nan 0.000 0.459 267 A N 1.810 124.614 122.820 -0.026 0.000 2.359 267 A HA 0.746 5.065 4.320 -0.000 0.000 0.303 267 A C -0.909 176.477 177.584 -0.329 0.000 1.066 267 A CA -0.859 51.052 52.037 -0.210 0.000 0.730 267 A CB 0.933 19.925 19.000 -0.014 0.000 1.211 267 A HN 0.745 nan 8.150 nan 0.000 0.439 268 N N 2.963 121.366 118.700 -0.495 0.000 2.527 268 N HA 0.321 5.061 4.740 -0.000 0.000 0.236 268 N C -0.942 174.272 175.510 -0.493 0.000 0.999 268 N CA -0.165 52.641 53.050 -0.407 0.000 0.935 268 N CB 1.174 39.471 38.487 -0.317 0.000 1.132 268 N HN 0.462 nan 8.380 nan 0.000 0.511 269 I N 1.225 121.510 120.570 -0.476 0.000 2.377 269 I HA 0.514 4.683 4.170 -0.000 0.000 0.293 269 I C 0.988 176.806 176.117 -0.499 0.000 0.987 269 I CA -0.583 60.460 61.300 -0.429 0.000 1.185 269 I CB 1.179 39.028 38.000 -0.251 0.000 1.341 269 I HN 0.368 nan 8.210 nan 0.000 0.455 270 G N 4.184 112.834 108.800 -0.250 0.000 2.798 270 G HA2 0.313 4.273 3.960 -0.000 0.000 0.286 270 G HA3 0.313 4.273 3.960 -0.000 0.000 0.286 270 G C 0.251 175.202 174.900 0.084 0.000 1.389 270 G CA -0.439 44.600 45.100 -0.102 0.000 0.894 270 G HN 0.499 nan 8.290 nan 0.000 0.488 271 N N -0.307 118.514 118.700 0.202 0.000 2.354 271 N HA -0.045 4.694 4.740 -0.000 0.000 0.179 271 N C 1.252 176.854 175.510 0.154 0.000 1.021 271 N CA 0.821 53.990 53.050 0.198 0.000 0.887 271 N CB 0.579 39.191 38.487 0.209 0.000 0.974 271 N HN 0.502 nan 8.380 nan 0.000 0.437 272 E N 0.092 120.375 120.200 0.139 0.000 2.413 272 E HA 0.190 4.540 4.350 -0.000 0.000 0.203 272 E C -0.045 176.611 176.600 0.092 0.000 0.957 272 E CA 0.134 56.607 56.400 0.122 0.000 0.950 272 E CB 1.338 31.118 29.700 0.134 0.000 0.957 272 E HN -0.035 nan 8.360 nan 0.000 0.497 273 V N 0.123 120.073 119.914 0.060 0.000 3.087 273 V HA 0.692 4.812 4.120 -0.000 0.000 0.306 273 V C -1.202 174.813 176.094 -0.132 0.000 1.187 273 V CA -1.043 61.234 62.300 -0.039 0.000 0.999 273 V CB 2.108 33.870 31.823 -0.101 0.000 1.049 273 V HN 0.065 nan 8.190 nan 0.000 0.431 274 A N 3.684 126.347 122.820 -0.263 0.000 2.381 274 A HA 0.923 5.243 4.320 -0.000 0.000 0.299 274 A C -1.222 175.987 177.584 -0.625 0.000 1.049 274 A CA -0.384 51.306 52.037 -0.578 0.000 0.715 274 A CB 1.078 19.480 19.000 -0.996 0.000 1.222 274 A HN 0.720 nan 8.150 nan 0.000 0.428 275 I N 2.372 122.495 120.570 -0.746 0.000 2.418 275 I HA 0.410 4.580 4.170 -0.000 0.000 0.287 275 I C -1.332 174.338 176.117 -0.746 0.000 1.008 275 I CA -0.291 60.681 61.300 -0.546 0.000 1.104 275 I CB 1.495 39.317 38.000 -0.297 0.000 1.264 275 I HN 0.556 nan 8.210 nan 0.000 0.438 276 F N 5.201 125.065 119.950 -0.143 0.000 2.436 276 F HA 0.556 5.083 4.527 -0.000 0.000 0.340 276 F C 0.410 176.157 175.800 -0.089 0.000 1.113 276 F CA -0.456 57.478 58.000 -0.110 0.000 1.022 276 F CB 1.339 40.282 39.000 -0.095 0.000 1.128 276 F HN 0.468 nan 8.300 nan 0.000 0.466 277 E N 1.410 121.631 120.200 0.035 0.000 2.416 277 E HA 0.758 5.108 4.350 -0.000 0.000 0.280 277 E C -1.767 174.789 176.600 -0.074 0.000 1.055 277 E CA -1.393 54.986 56.400 -0.035 0.000 0.825 277 E CB 1.416 31.068 29.700 -0.080 0.000 1.312 277 E HN 0.607 nan 8.360 nan 0.000 0.452 278 A N 0.838 123.548 122.820 -0.184 0.000 2.313 278 A HA 0.387 4.707 4.320 -0.000 0.000 0.261 278 A C 0.899 178.324 177.584 -0.264 0.000 1.090 278 A CA -0.302 51.562 52.037 -0.288 0.000 0.807 278 A CB 0.804 19.372 19.000 -0.719 0.000 1.055 278 A HN 0.454 nan 8.150 nan 0.000 0.492 279 V N 0.628 120.441 119.914 -0.168 0.000 2.951 279 V HA -0.047 4.073 4.120 -0.000 0.000 0.255 279 V C 1.155 177.220 176.094 -0.049 0.000 1.088 279 V CA 1.840 64.097 62.300 -0.071 0.000 1.109 279 V CB -1.670 30.157 31.823 0.006 0.000 0.724 279 V HN 1.022 nan 8.190 nan 0.000 0.471 280 H N -0.297 118.779 119.070 0.011 0.000 2.597 280 H HA 0.595 5.151 4.556 -0.000 0.000 0.370 280 H C 0.555 175.887 175.328 0.006 0.000 1.281 280 H CA -0.116 55.937 56.048 0.008 0.000 1.422 280 H CB 0.276 30.036 29.762 -0.004 0.000 1.524 280 H HN 0.077 nan 8.280 nan 0.000 0.607 281 G N -0.820 108.152 108.800 0.286 0.000 2.606 281 G HA2 0.273 4.233 3.960 -0.000 0.000 0.262 281 G HA3 0.273 4.233 3.960 -0.000 0.000 0.262 281 G C 0.768 175.798 174.900 0.216 0.000 1.394 281 G CA -0.339 44.873 45.100 0.187 0.000 1.044 281 G HN 0.809 nan 8.290 nan 0.000 0.553 282 S N -1.225 114.539 115.700 0.107 0.000 2.436 282 S HA 0.271 4.741 4.470 -0.000 0.000 0.228 282 S C 1.616 176.249 174.600 0.055 0.000 1.014 282 S CA 1.229 59.475 58.200 0.076 0.000 0.950 282 S CB -0.332 62.894 63.200 0.043 0.000 0.784 282 S HN 2.218 nan 8.310 nan 0.000 0.504 283 A N 2.580 125.430 122.820 0.050 0.000 2.362 283 A HA -0.094 4.226 4.320 -0.000 0.000 0.290 283 A C -0.401 177.191 177.584 0.013 0.000 1.441 283 A CA 0.587 52.650 52.037 0.044 0.000 0.743 283 A CB -1.906 17.149 19.000 0.091 0.000 1.125 283 A HN 0.558 nan 8.150 nan 0.000 0.378 284 P HA -0.250 nan 4.420 nan 0.000 0.217 284 P C 1.242 178.482 177.300 -0.100 0.000 1.148 284 P CA 1.853 64.928 63.100 -0.042 0.000 0.828 284 P CB -0.143 31.537 31.700 -0.034 0.000 0.783 285 K N -1.596 118.679 120.400 -0.209 0.000 2.439 285 K HA -0.098 4.222 4.320 -0.000 0.000 0.197 285 K C 1.062 177.404 176.600 -0.430 0.000 1.041 285 K CA 1.038 57.112 56.287 -0.355 0.000 0.970 285 K CB -0.504 31.687 32.500 -0.516 0.000 0.773 285 K HN 0.132 nan 8.250 nan 0.000 0.479 286 Y N 0.871 121.106 120.300 -0.110 0.000 2.430 286 Y HA 0.382 4.932 4.550 -0.000 0.000 0.248 286 Y C 0.811 176.665 175.900 -0.078 0.000 1.108 286 Y CA -0.855 57.173 58.100 -0.119 0.000 1.264 286 Y CB 0.300 38.676 38.460 -0.139 0.000 1.172 286 Y HN 0.075 nan 8.280 nan 0.000 0.520 287 A N 0.538 123.395 122.820 0.062 0.000 2.546 287 A HA 0.380 4.700 4.320 -0.000 0.000 0.243 287 A C 1.740 179.336 177.584 0.021 0.000 1.063 287 A CA 1.107 53.164 52.037 0.033 0.000 0.757 287 A CB -0.828 18.179 19.000 0.011 0.000 0.991 287 A HN 0.987 nan 8.150 nan 0.000 0.503 288 G N 2.024 110.835 108.800 0.019 0.000 2.212 288 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.266 288 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.266 288 G C 0.808 175.718 174.900 0.018 0.000 0.978 288 G CA 0.912 46.019 45.100 0.012 0.000 0.632 288 G HN 0.824 nan 8.290 nan 0.000 0.537 289 K N 0.190 120.610 120.400 0.033 0.000 2.444 289 K HA 0.147 4.467 4.320 -0.000 0.000 0.193 289 K C 1.186 177.810 176.600 0.040 0.000 1.024 289 K CA 0.287 56.598 56.287 0.040 0.000 1.077 289 K CB 0.067 32.605 32.500 0.064 0.000 0.833 289 K HN 0.372 nan 8.250 nan 0.000 0.517 290 N N 0.822 119.538 118.700 0.027 0.000 2.721 290 N HA -0.164 4.576 4.740 -0.000 0.000 0.249 290 N C 0.167 175.686 175.510 0.015 0.000 1.072 290 N CA 0.865 53.924 53.050 0.015 0.000 0.710 290 N CB -1.082 37.415 38.487 0.016 0.000 0.993 290 N HN 0.186 nan 8.380 nan 0.000 0.547 291 V N -3.614 116.311 119.914 0.018 0.000 3.451 291 V HA 0.483 4.603 4.120 -0.000 0.000 0.288 291 V C 0.932 176.987 176.094 -0.064 0.000 1.502 291 V CA -0.290 62.026 62.300 0.027 0.000 1.026 291 V CB -0.059 31.865 31.823 0.168 0.000 0.840 291 V HN 0.212 nan 8.190 nan 0.000 0.437 292 I N 3.175 123.673 120.570 -0.120 0.000 2.634 292 I HA 0.340 4.510 4.170 -0.000 0.000 0.284 292 I C 0.397 176.351 176.117 -0.271 0.000 1.124 292 I CA 0.165 61.326 61.300 -0.231 0.000 1.417 292 I CB 0.783 38.678 38.000 -0.174 0.000 1.396 292 I HN 0.359 nan 8.210 nan 0.000 0.571 293 N N 8.864 127.336 118.700 -0.380 0.000 2.401 293 N HA 0.270 5.010 4.740 -0.000 0.000 0.255 293 N C -2.081 173.227 175.510 -0.335 0.000 1.110 293 N CA -1.967 50.794 53.050 -0.482 0.000 0.949 293 N CB 0.942 39.039 38.487 -0.649 0.000 1.110 293 N HN 0.353 nan 8.380 nan 0.000 0.490 294 P HA 0.108 nan 4.420 nan 0.000 0.261 294 P C 0.509 177.810 177.300 0.001 0.000 1.352 294 P CA 0.073 63.148 63.100 -0.041 0.000 0.891 294 P CB 0.310 32.029 31.700 0.030 0.000 1.383 295 T N 0.482 114.985 114.554 -0.086 0.000 2.708 295 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 295 T C 2.022 176.711 174.700 -0.017 0.000 1.037 295 T CA 1.922 64.001 62.100 -0.034 0.000 1.146 295 T CB -0.599 68.154 68.868 -0.191 0.000 0.865 295 T HN 0.123 nan 8.240 nan 0.000 0.435 296 A N 1.002 123.795 122.820 -0.045 0.000 1.883 296 A HA -0.097 4.222 4.320 -0.000 0.000 0.217 296 A C 2.595 180.203 177.584 0.040 0.000 1.186 296 A CA 1.702 53.763 52.037 0.040 0.000 0.624 296 A CB -1.089 17.980 19.000 0.114 0.000 0.822 296 A HN 0.369 nan 8.150 nan 0.000 0.444 297 V N -0.439 119.504 119.914 0.048 0.000 2.427 297 V HA -0.188 3.931 4.120 -0.000 0.000 0.248 297 V C 2.462 178.577 176.094 0.035 0.000 1.051 297 V CA 1.760 64.076 62.300 0.026 0.000 1.048 297 V CB -0.740 31.105 31.823 0.037 0.000 0.666 297 V HN 0.580 nan 8.190 nan 0.000 0.456 298 L N -0.156 121.092 121.223 0.043 0.000 2.017 298 L HA -0.115 4.224 4.340 -0.000 0.000 0.208 298 L C 2.169 179.071 176.870 0.053 0.000 1.073 298 L CA 1.908 56.774 54.840 0.043 0.000 0.745 298 L CB -0.536 41.555 42.059 0.053 0.000 0.894 298 L HN 0.194 nan 8.230 nan 0.000 0.432 299 L N -1.092 120.177 121.223 0.078 0.000 2.265 299 L HA -0.167 4.173 4.340 -0.000 0.000 0.215 299 L C 2.356 179.285 176.870 0.098 0.000 1.117 299 L CA 1.018 55.924 54.840 0.110 0.000 0.782 299 L CB -0.495 41.662 42.059 0.164 0.000 0.914 299 L HN 0.269 nan 8.230 nan 0.000 0.441 300 S N -0.165 115.585 115.700 0.083 0.000 2.387 300 S HA -0.063 4.406 4.470 -0.000 0.000 0.226 300 S C 2.201 176.817 174.600 0.027 0.000 1.026 300 S CA 0.981 59.244 58.200 0.104 0.000 0.972 300 S CB -0.110 63.154 63.200 0.106 0.000 0.814 300 S HN 0.495 nan 8.310 nan 0.000 0.477 301 A N 1.108 123.927 122.820 -0.001 0.000 1.969 301 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 301 A C 2.236 179.756 177.584 -0.108 0.000 1.169 301 A CA 1.143 53.142 52.037 -0.063 0.000 0.635 301 A CB -0.686 18.304 19.000 -0.016 0.000 0.810 301 A HN 0.345 nan 8.150 nan 0.000 0.445 302 V N -0.182 119.709 119.914 -0.040 0.000 2.358 302 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 302 V C 2.583 178.645 176.094 -0.053 0.000 1.047 302 V CA 2.119 64.408 62.300 -0.018 0.000 1.035 302 V CB -0.689 31.165 31.823 0.052 0.000 0.658 302 V HN 0.580 nan 8.190 nan 0.000 0.452 303 M N -1.002 118.564 119.600 -0.057 0.000 2.159 303 M HA -0.215 4.265 4.480 -0.000 0.000 0.263 303 M C 2.276 178.314 176.300 -0.436 0.000 1.063 303 M CA 2.030 57.298 55.300 -0.053 0.000 1.110 303 M CB -0.409 32.276 32.600 0.142 0.000 1.374 303 M HN 0.356 nan 8.290 nan 0.000 0.411 304 M N 0.664 119.703 119.600 -0.935 0.000 2.132 304 M HA -0.194 4.286 4.480 -0.000 0.000 0.263 304 M C 1.946 177.940 176.300 -0.510 0.000 1.065 304 M CA 1.702 56.142 55.300 -1.434 0.000 1.122 304 M CB -0.070 31.886 32.600 -1.073 0.000 1.365 304 M HN 0.241 nan 8.290 nan 0.000 0.411 305 L N -0.068 120.977 121.223 -0.298 0.000 2.012 305 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 305 L C 2.661 179.408 176.870 -0.204 0.000 1.073 305 L CA 1.545 56.274 54.840 -0.185 0.000 0.748 305 L CB -0.669 41.322 42.059 -0.114 0.000 0.891 305 L HN 0.332 nan 8.230 nan 0.000 0.431 306 R N -1.226 119.201 120.500 -0.121 0.000 2.096 306 R HA -0.218 4.121 4.340 -0.000 0.000 0.235 306 R C 2.299 178.549 176.300 -0.084 0.000 1.127 306 R CA 1.681 57.745 56.100 -0.060 0.000 0.968 306 R CB -0.622 29.796 30.300 0.197 0.000 0.861 306 R HN 0.296 nan 8.270 nan 0.000 0.440 307 Y N 1.588 121.801 120.300 -0.146 0.000 2.207 307 Y HA -0.151 4.399 4.550 -0.000 0.000 0.287 307 Y C 1.757 177.581 175.900 -0.127 0.000 1.156 307 Y CA 1.421 59.483 58.100 -0.064 0.000 1.182 307 Y CB -0.101 38.378 38.460 0.032 0.000 0.979 307 Y HN -0.043 nan 8.280 nan 0.000 0.521 308 L N 0.397 121.571 121.223 -0.081 0.000 2.610 308 L HA -0.060 4.280 4.340 -0.000 0.000 0.232 308 L C 0.531 177.205 176.870 -0.327 0.000 1.149 308 L CA 1.042 55.789 54.840 -0.154 0.000 0.872 308 L CB -0.430 41.569 42.059 -0.101 0.000 0.992 308 L HN 0.277 nan 8.230 nan 0.000 0.447 309 E N -0.687 119.170 120.200 -0.572 0.000 3.181 309 E HA -0.182 4.168 4.350 -0.000 0.000 0.293 309 E C -0.173 175.807 176.600 -1.033 0.000 0.936 309 E CA 0.262 56.023 56.400 -1.064 0.000 0.975 309 E CB -0.938 28.489 29.700 -0.456 0.000 1.496 309 E HN 0.398 nan 8.360 nan 0.000 0.429 310 E N -0.128 119.645 120.200 -0.711 0.000 2.464 310 E HA 0.101 4.451 4.350 -0.000 0.000 0.260 310 E C 0.572 177.002 176.600 -0.283 0.000 1.318 310 E CA -0.158 56.018 56.400 -0.373 0.000 1.571 310 E CB -0.325 29.250 29.700 -0.209 0.000 1.525 310 E HN 0.229 nan 8.360 nan 0.000 0.449 311 F N 0.910 120.853 119.950 -0.012 0.000 2.161 311 F HA -0.237 4.290 4.527 -0.000 0.000 0.300 311 F C 2.332 178.128 175.800 -0.007 0.000 1.089 311 F CA 1.175 59.172 58.000 -0.006 0.000 1.282 311 F CB -0.900 38.098 39.000 -0.004 0.000 1.010 311 F HN 0.298 nan 8.300 nan 0.000 0.485 312 A N -0.014 122.899 122.820 0.154 0.000 1.858 312 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 312 A C 2.289 179.900 177.584 0.046 0.000 1.190 312 A CA 2.452 54.539 52.037 0.083 0.000 0.617 312 A CB -1.403 17.630 19.000 0.054 0.000 0.827 312 A HN 0.367 nan 8.150 nan 0.000 0.443 313 T N 0.393 114.958 114.554 0.018 0.000 2.746 313 T HA -0.012 4.338 4.350 -0.000 0.000 0.267 313 T C 2.204 176.913 174.700 0.015 0.000 1.039 313 T CA 1.566 63.668 62.100 0.005 0.000 1.142 313 T CB -0.506 68.352 68.868 -0.016 0.000 0.866 313 T HN 0.612 nan 8.240 nan 0.000 0.444 314 A N 2.179 125.012 122.820 0.022 0.000 1.883 314 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 314 A C 2.144 179.763 177.584 0.058 0.000 1.186 314 A CA 1.906 53.966 52.037 0.039 0.000 0.624 314 A CB -0.739 18.300 19.000 0.065 0.000 0.822 314 A HN 0.348 nan 8.150 nan 0.000 0.444 315 D N -0.575 119.866 120.400 0.068 0.000 2.117 315 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 315 D C 1.860 178.182 176.300 0.036 0.000 0.987 315 D CA 1.224 55.257 54.000 0.055 0.000 0.829 315 D CB -0.472 40.358 40.800 0.050 0.000 0.961 315 D HN 0.320 nan 8.370 nan 0.000 0.460 316 L N 0.948 122.187 121.223 0.027 0.000 1.989 316 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 316 L C 2.185 179.064 176.870 0.015 0.000 1.071 316 L CA 1.538 56.385 54.840 0.011 0.000 0.749 316 L CB -0.601 41.462 42.059 0.005 0.000 0.890 316 L HN 0.012 nan 8.230 nan 0.000 0.431 317 I N -0.770 119.812 120.570 0.020 0.000 2.179 317 I HA -0.282 3.887 4.170 -0.000 0.000 0.242 317 I C 2.538 178.678 176.117 0.039 0.000 1.088 317 I CA 1.645 62.958 61.300 0.022 0.000 1.357 317 I CB -0.421 37.591 38.000 0.020 0.000 1.051 317 I HN 0.433 nan 8.210 nan 0.000 0.409 318 E N 0.981 121.214 120.200 0.055 0.000 2.153 318 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 318 E C 1.908 178.561 176.600 0.087 0.000 0.988 318 E CA 0.983 57.433 56.400 0.083 0.000 0.811 318 E CB 0.119 29.875 29.700 0.092 0.000 0.746 318 E HN 0.438 nan 8.360 nan 0.000 0.466 319 N N 0.355 119.093 118.700 0.065 0.000 2.142 319 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 319 N C 1.715 177.280 175.510 0.093 0.000 1.023 319 N CA 1.157 54.248 53.050 0.068 0.000 0.852 319 N CB -0.323 38.181 38.487 0.027 0.000 0.998 319 N HN 0.170 nan 8.380 nan 0.000 0.424 320 A N 1.633 124.488 122.820 0.059 0.000 1.865 320 A HA -0.146 4.173 4.320 -0.000 0.000 0.217 320 A C 2.264 179.902 177.584 0.091 0.000 1.191 320 A CA 1.257 53.336 52.037 0.071 0.000 0.623 320 A CB -0.935 18.076 19.000 0.019 0.000 0.826 320 A HN 0.261 nan 8.150 nan 0.000 0.444 321 L N -0.120 121.134 121.223 0.051 0.000 1.989 321 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 321 L C 2.320 179.240 176.870 0.084 0.000 1.071 321 L CA 2.032 56.889 54.840 0.029 0.000 0.749 321 L CB -0.669 41.423 42.059 0.056 0.000 0.890 321 L HN 0.411 nan 8.230 nan 0.000 0.431 322 L N -1.733 119.572 121.223 0.137 0.000 2.083 322 L HA -0.251 4.089 4.340 -0.000 0.000 0.209 322 L C 2.548 179.504 176.870 0.143 0.000 1.083 322 L CA 1.557 56.494 54.840 0.162 0.000 0.752 322 L CB -0.799 41.362 42.059 0.170 0.000 0.899 322 L HN 0.413 nan 8.230 nan 0.000 0.433 323 Y N 0.934 121.251 120.300 0.028 0.000 2.181 323 Y HA -0.264 4.286 4.550 -0.000 0.000 0.288 323 Y C 2.657 178.560 175.900 0.006 0.000 1.146 323 Y CA 2.044 60.152 58.100 0.013 0.000 1.164 323 Y CB -0.559 37.901 38.460 -0.000 0.000 0.982 323 Y HN 0.058 nan 8.280 nan 0.000 0.515 324 T N 1.275 115.818 114.554 -0.019 0.000 2.720 324 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 324 T C 2.034 176.678 174.700 -0.094 0.000 1.037 324 T CA 1.879 63.910 62.100 -0.114 0.000 1.144 324 T CB -0.508 68.287 68.868 -0.121 0.000 0.864 324 T HN 0.314 nan 8.240 nan 0.000 0.444 325 L N 0.449 121.664 121.223 -0.013 0.000 2.072 325 L HA -0.022 4.318 4.340 -0.000 0.000 0.205 325 L C 2.786 179.643 176.870 -0.022 0.000 1.079 325 L CA 1.269 56.128 54.840 0.032 0.000 0.752 325 L CB -0.488 41.627 42.059 0.093 0.000 0.906 325 L HN 0.308 nan 8.230 nan 0.000 0.436 326 E N 0.542 120.709 120.200 -0.054 0.000 2.085 326 E HA -0.307 4.043 4.350 -0.000 0.000 0.194 326 E C 2.079 178.597 176.600 -0.137 0.000 0.994 326 E CA 1.574 57.929 56.400 -0.075 0.000 0.801 326 E CB 0.088 29.753 29.700 -0.058 0.000 0.743 326 E HN 0.455 nan 8.360 nan 0.000 0.453 327 E N -0.517 119.528 120.200 -0.258 0.000 2.106 327 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 327 E C 1.007 177.533 176.600 -0.124 0.000 0.984 327 E CA 0.956 57.209 56.400 -0.245 0.000 0.806 327 E CB -0.170 29.302 29.700 -0.380 0.000 0.750 327 E HN 0.387 nan 8.360 nan 0.000 0.458 328 G N 1.326 110.072 108.800 -0.090 0.000 2.246 328 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.273 328 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.273 328 G C 0.605 175.488 174.900 -0.028 0.000 1.055 328 G CA 0.704 45.782 45.100 -0.037 0.000 0.851 328 G HN 0.394 nan 8.290 nan 0.000 0.500 329 R N -1.247 119.234 120.500 -0.032 0.000 2.195 329 R HA 0.345 4.685 4.340 -0.000 0.000 0.197 329 R C 0.516 176.822 176.300 0.008 0.000 0.990 329 R CA 0.924 57.014 56.100 -0.018 0.000 1.048 329 R CB 0.532 30.815 30.300 -0.029 0.000 0.997 329 R HN 0.353 nan 8.270 nan 0.000 0.502 330 V N 3.317 123.250 119.914 0.031 0.000 2.266 330 V HA 0.370 4.489 4.120 -0.000 0.000 0.271 330 V C -0.718 175.488 176.094 0.186 0.000 1.032 330 V CA -0.481 61.873 62.300 0.089 0.000 0.806 330 V CB 1.163 33.036 31.823 0.085 0.000 1.052 330 V HN 0.131 nan 8.190 nan 0.000 0.449 331 L N 3.822 125.104 121.223 0.097 0.000 2.346 331 L HA 0.616 4.956 4.340 -0.000 0.000 0.276 331 L C 0.835 177.645 176.870 -0.101 0.000 1.006 331 L CA -0.530 54.342 54.840 0.052 0.000 0.817 331 L CB 2.514 44.586 42.059 0.021 0.000 1.272 331 L HN 0.638 nan 8.230 nan 0.000 0.421 332 T N -1.118 113.263 114.554 -0.288 0.000 2.813 332 T HA 0.114 4.464 4.350 -0.000 0.000 0.297 332 T C 1.439 175.887 174.700 -0.420 0.000 1.036 332 T CA -0.058 61.794 62.100 -0.413 0.000 1.044 332 T CB 1.294 69.780 68.868 -0.636 0.000 0.993 332 T HN 0.748 nan 8.240 nan 0.000 0.535 333 G N 1.173 109.610 108.800 -0.604 0.000 2.475 333 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.220 333 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.220 333 G C 1.189 175.455 174.900 -1.056 0.000 1.125 333 G CA 0.984 45.441 45.100 -1.072 0.000 0.755 333 G HN 0.972 nan 8.290 nan 0.000 0.565 334 D N 0.312 120.270 120.400 -0.736 0.000 2.378 334 D HA -0.040 4.600 4.640 -0.000 0.000 0.222 334 D C 2.023 178.242 176.300 -0.135 0.000 0.980 334 D CA 0.740 54.546 54.000 -0.323 0.000 0.907 334 D CB -0.150 40.522 40.800 -0.213 0.000 0.899 334 D HN 0.330 nan 8.370 nan 0.000 0.527 335 V N 0.242 120.064 119.914 -0.153 0.000 2.908 335 V HA -0.020 4.100 4.120 -0.000 0.000 0.240 335 V C 1.988 178.041 176.094 -0.068 0.000 1.117 335 V CA 0.902 63.183 62.300 -0.033 0.000 1.133 335 V CB 0.843 32.685 31.823 0.032 0.000 0.857 335 V HN 0.290 nan 8.190 nan 0.000 0.478 336 V N -1.514 118.323 119.914 -0.129 0.000 3.176 336 V HA 0.821 4.941 4.120 -0.000 0.000 0.332 336 V C 0.545 176.569 176.094 -0.116 0.000 1.414 336 V CA -0.130 62.111 62.300 -0.097 0.000 1.133 336 V CB -0.510 31.266 31.823 -0.078 0.000 1.088 336 V HN 0.777 nan 8.190 nan 0.000 0.473 337 G N -0.046 108.648 108.800 -0.175 0.000 2.721 337 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.686 337 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.686 337 G C -0.532 174.236 174.900 -0.221 0.000 1.236 337 G CA 0.004 45.028 45.100 -0.126 0.000 0.786 337 G HN 0.340 nan 8.290 nan 0.000 0.616 338 Y N 0.532 120.827 120.300 -0.007 0.000 2.529 338 Y HA 0.082 4.632 4.550 -0.000 0.000 0.290 338 Y C 2.430 178.330 175.900 0.000 0.000 1.177 338 Y CA 1.194 59.289 58.100 -0.008 0.000 1.305 338 Y CB 0.361 38.838 38.460 0.028 0.000 1.047 338 Y HN 0.691 nan 8.280 nan 0.000 0.522 339 D N -0.921 119.534 120.400 0.091 0.000 2.350 339 D HA 0.009 4.649 4.640 -0.000 0.000 0.213 339 D C 1.425 177.739 176.300 0.022 0.000 1.031 339 D CA 0.413 54.450 54.000 0.061 0.000 0.861 339 D CB 0.088 40.919 40.800 0.050 0.000 0.926 339 D HN 0.310 nan 8.370 nan 0.000 0.520 340 R N -0.036 120.458 120.500 -0.010 0.000 2.470 340 R HA 0.232 4.572 4.340 -0.000 0.000 0.210 340 R C 1.338 177.607 176.300 -0.052 0.000 0.873 340 R CA 0.285 56.369 56.100 -0.026 0.000 1.015 340 R CB 0.277 30.559 30.300 -0.031 0.000 1.348 340 R HN 0.043 nan 8.270 nan 0.000 0.650 341 G N 1.840 110.573 108.800 -0.112 0.000 2.238 341 G HA2 0.161 4.121 3.960 -0.000 0.000 0.234 341 G HA3 0.161 4.121 3.960 -0.000 0.000 0.234 341 G C 0.105 174.949 174.900 -0.095 0.000 1.181 341 G CA 0.332 45.332 45.100 -0.166 0.000 0.871 341 G HN 0.324 nan 8.290 nan 0.000 0.490 342 A N 2.988 125.759 122.820 -0.081 0.000 2.386 342 A HA 0.492 4.812 4.320 -0.000 0.000 0.248 342 A C 0.850 178.413 177.584 -0.034 0.000 1.082 342 A CA -0.344 51.678 52.037 -0.025 0.000 0.789 342 A CB 0.449 19.468 19.000 0.032 0.000 1.025 342 A HN 0.629 nan 8.150 nan 0.000 0.490 343 K N 0.916 121.317 120.400 0.002 0.000 2.276 343 K HA 0.125 4.445 4.320 -0.000 0.000 0.259 343 K C 1.475 178.083 176.600 0.014 0.000 1.001 343 K CA 0.237 56.528 56.287 0.005 0.000 0.927 343 K CB 0.152 32.663 32.500 0.019 0.000 0.969 343 K HN 0.767 nan 8.250 nan 0.000 0.490 344 T N 1.079 115.632 114.554 -0.001 0.000 2.652 344 T HA -0.173 4.176 4.350 -0.000 0.000 0.267 344 T C 1.873 176.616 174.700 0.071 0.000 1.039 344 T CA 2.521 64.628 62.100 0.012 0.000 1.153 344 T CB -0.308 68.553 68.868 -0.011 0.000 0.863 344 T HN 0.809 nan 8.240 nan 0.000 0.428 345 T N 1.249 115.830 114.554 0.044 0.000 2.788 345 T HA -0.114 4.235 4.350 -0.000 0.000 0.268 345 T C 1.734 176.464 174.700 0.050 0.000 1.044 345 T CA 1.294 63.418 62.100 0.040 0.000 1.139 345 T CB -0.424 68.457 68.868 0.022 0.000 0.867 345 T HN 0.529 nan 8.240 nan 0.000 0.454 346 E N 0.006 120.242 120.200 0.060 0.000 2.072 346 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 346 E C 1.944 178.597 176.600 0.089 0.000 0.985 346 E CA 1.026 57.461 56.400 0.059 0.000 0.801 346 E CB -0.350 29.382 29.700 0.053 0.000 0.750 346 E HN 0.587 nan 8.360 nan 0.000 0.452 347 Y N 2.261 122.546 120.300 -0.025 0.000 2.145 347 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 347 Y C 2.428 178.318 175.900 -0.017 0.000 1.145 347 Y CA 1.925 60.008 58.100 -0.028 0.000 1.148 347 Y CB -0.535 37.896 38.460 -0.047 0.000 0.981 347 Y HN -0.079 nan 8.280 nan 0.000 0.507 348 T N -0.014 114.577 114.554 0.062 0.000 2.622 348 T HA -0.251 4.099 4.350 -0.000 0.000 0.266 348 T C 1.660 176.325 174.700 -0.060 0.000 1.047 348 T CA 1.739 63.825 62.100 -0.024 0.000 1.159 348 T CB -0.443 68.439 68.868 0.023 0.000 0.863 348 T HN 0.268 nan 8.240 nan 0.000 0.422 349 E N 1.518 121.704 120.200 -0.022 0.000 2.097 349 E HA -0.137 4.212 4.350 -0.000 0.000 0.196 349 E C 2.175 178.753 176.600 -0.037 0.000 1.000 349 E CA 1.606 57.993 56.400 -0.021 0.000 0.804 349 E CB -0.705 28.994 29.700 -0.003 0.000 0.740 349 E HN 0.461 nan 8.360 nan 0.000 0.454 350 A N 0.537 123.323 122.820 -0.058 0.000 1.858 350 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 350 A C 2.456 179.990 177.584 -0.083 0.000 1.190 350 A CA 1.721 53.719 52.037 -0.065 0.000 0.617 350 A CB -0.859 18.090 19.000 -0.085 0.000 0.827 350 A HN 0.352 nan 8.150 nan 0.000 0.443 351 I N -0.201 120.265 120.570 -0.173 0.000 2.151 351 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 351 I C 2.353 178.433 176.117 -0.061 0.000 1.080 351 I CA 1.567 62.780 61.300 -0.146 0.000 1.339 351 I CB -0.405 37.456 38.000 -0.233 0.000 1.039 351 I HN 0.334 nan 8.210 nan 0.000 0.409 352 I N 0.233 120.769 120.570 -0.056 0.000 2.226 352 I HA -0.319 3.850 4.170 -0.000 0.000 0.245 352 I C 2.516 178.623 176.117 -0.017 0.000 1.100 352 I CA 1.465 62.747 61.300 -0.029 0.000 1.374 352 I CB -0.443 37.543 38.000 -0.024 0.000 1.057 352 I HN 0.338 nan 8.210 nan 0.000 0.413 353 Q N 0.463 120.256 119.800 -0.012 0.000 2.291 353 Q HA -0.144 4.196 4.340 -0.000 0.000 0.206 353 Q C 1.094 177.102 176.000 0.014 0.000 0.976 353 Q CA 0.905 56.710 55.803 0.003 0.000 0.875 353 Q CB -0.097 28.648 28.738 0.011 0.000 0.927 353 Q HN 0.541 nan 8.270 nan 0.000 0.450 354 N N 0.076 118.792 118.700 0.026 0.000 2.270 354 N HA 0.102 4.842 4.740 -0.000 0.000 0.198 354 N C -0.311 175.181 175.510 -0.031 0.000 1.117 354 N CA 0.131 53.205 53.050 0.040 0.000 0.845 354 N CB 0.473 39.085 38.487 0.208 0.000 0.980 354 N HN 0.202 nan 8.380 nan 0.000 0.486 355 L N 0.330 121.537 121.223 -0.027 0.000 2.477 355 L HA 0.149 4.489 4.340 -0.000 0.000 0.272 355 L C 1.477 178.313 176.870 -0.057 0.000 1.157 355 L CA 0.389 55.209 54.840 -0.034 0.000 0.889 355 L CB 0.350 42.396 42.059 -0.022 0.000 1.158 355 L HN 0.299 nan 8.230 nan 0.000 0.473 356 G N 2.512 111.270 108.800 -0.070 0.000 2.238 356 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 356 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 356 G C 0.235 175.052 174.900 -0.138 0.000 0.996 356 G CA -0.503 44.547 45.100 -0.082 0.000 0.632 356 G HN 0.512 nan 8.290 nan 0.000 0.503 357 K N 0.822 121.089 120.400 -0.220 0.000 2.098 357 K HA 0.665 4.985 4.320 -0.000 0.000 0.258 357 K C -0.660 175.746 176.600 -0.324 0.000 0.973 357 K CA -0.179 55.857 56.287 -0.417 0.000 0.898 357 K CB 1.564 33.538 32.500 -0.877 0.000 1.057 357 K HN 0.073 nan 8.250 nan 0.000 0.447 358 T N 3.346 117.727 114.554 -0.288 0.000 2.881 358 T HA 0.331 4.681 4.350 -0.000 0.000 0.290 358 T C -2.503 172.219 174.700 0.037 0.000 1.000 358 T CA -1.467 60.582 62.100 -0.085 0.000 0.978 358 T CB 1.653 70.493 68.868 -0.047 0.000 0.997 358 T HN 0.464 nan 8.240 nan 0.000 0.443 359 P HA 0.263 nan 4.420 nan 0.000 0.271 359 P C 0.140 177.511 177.300 0.118 0.000 1.233 359 P CA -0.333 62.898 63.100 0.218 0.000 0.789 359 P CB 1.532 33.333 31.700 0.168 0.000 0.951 360 R N 0.454 121.017 120.500 0.106 0.000 2.128 360 R HA 0.084 4.424 4.340 -0.000 0.000 0.211 360 R C 2.032 178.355 176.300 0.038 0.000 1.067 360 R CA 0.852 56.989 56.100 0.062 0.000 1.010 360 R CB 0.041 30.376 30.300 0.059 0.000 0.922 360 R HN 0.470 nan 8.270 nan 0.000 0.457 361 K N 0.083 120.505 120.400 0.037 0.000 2.530 361 K HA 0.152 4.472 4.320 -0.000 0.000 0.218 361 K C 0.294 176.904 176.600 0.016 0.000 1.064 361 K CA 0.389 56.688 56.287 0.019 0.000 1.084 361 K CB -0.160 32.349 32.500 0.014 0.000 1.392 361 K HN -0.136 nan 8.250 nan 0.000 0.465 362 T N 3.533 118.098 114.554 0.019 0.000 2.751 362 T HA 0.019 4.368 4.350 -0.000 0.000 0.279 362 T C -0.089 174.630 174.700 0.032 0.000 0.941 362 T CA 0.495 62.602 62.100 0.012 0.000 1.192 362 T CB 0.100 68.980 68.868 0.020 0.000 0.883 362 T HN 0.164 nan 8.240 nan 0.000 0.534 363 Q N 1.219 121.026 119.800 0.011 0.000 2.486 363 Q HA 0.605 4.945 4.340 -0.000 0.000 0.274 363 Q C -0.064 175.936 176.000 0.001 0.000 1.076 363 Q CA -1.239 54.573 55.803 0.015 0.000 0.872 363 Q CB 1.639 30.377 28.738 0.001 0.000 1.383 363 Q HN 0.602 nan 8.270 nan 0.000 0.478 364 V N -0.865 119.051 119.914 0.002 0.000 2.521 364 V HA 0.256 4.376 4.120 -0.000 0.000 0.286 364 V C -0.123 175.922 176.094 -0.081 0.000 1.034 364 V CA -0.164 62.129 62.300 -0.011 0.000 1.045 364 V CB 0.097 31.926 31.823 0.011 0.000 0.974 364 V HN 0.632 nan 8.190 nan 0.000 0.480 365 R N 4.163 124.573 120.500 -0.150 0.000 3.760 365 R HA 0.354 4.694 4.340 -0.000 0.000 0.310 365 R C 0.835 176.802 176.300 -0.555 0.000 1.414 365 R CA -0.004 55.894 56.100 -0.336 0.000 1.410 365 R CB 0.906 30.975 30.300 -0.386 0.000 1.459 365 R HN 0.995 nan 8.270 nan 0.000 0.663 366 G N 1.411 110.050 108.800 -0.267 0.000 2.305 366 G HA2 -0.070 3.889 3.960 -0.000 0.000 0.281 366 G HA3 -0.070 3.889 3.960 -0.000 0.000 0.281 366 G C -0.121 174.663 174.900 -0.192 0.000 1.085 366 G CA 0.048 45.056 45.100 -0.155 0.000 1.211 366 G HN 0.279 nan 8.290 nan 0.000 0.421 367 Y N 0.938 121.266 120.300 0.048 0.000 2.219 367 Y HA 0.274 4.824 4.550 -0.000 0.000 0.375 367 Y C 1.316 177.231 175.900 0.024 0.000 1.333 367 Y CA -0.264 57.864 58.100 0.046 0.000 1.799 367 Y CB 0.641 39.155 38.460 0.090 0.000 1.611 367 Y HN 0.527 nan 8.280 nan 0.000 0.635 368 K N 0.444 120.983 120.400 0.231 0.000 2.159 368 K HA 0.536 4.856 4.320 -0.000 0.000 0.266 368 K C -3.046 173.669 176.600 0.192 0.000 0.975 368 K CA -1.984 54.376 56.287 0.123 0.000 0.865 368 K CB 1.026 33.576 32.500 0.083 0.000 1.087 368 K HN 0.182 nan 8.250 nan 0.000 0.446 369 P HA 0.048 nan 4.420 nan 0.000 0.269 369 P C -1.196 176.196 177.300 0.154 0.000 1.215 369 P CA -0.184 62.981 63.100 0.108 0.000 0.780 369 P CB 0.182 31.938 31.700 0.093 0.000 0.898 370 F N -1.158 118.816 119.950 0.039 0.000 2.578 370 F HA 0.594 5.121 4.527 -0.000 0.000 0.311 370 F C -0.251 175.563 175.800 0.024 0.000 1.094 370 F CA -1.654 56.356 58.000 0.017 0.000 0.923 370 F CB 1.419 40.407 39.000 -0.020 0.000 1.230 370 F HN 0.051 nan 8.300 nan 0.000 0.450 371 R N 3.433 124.060 120.500 0.213 0.000 2.491 371 R HA 0.431 4.771 4.340 -0.000 0.000 0.283 371 R C -0.767 175.691 176.300 0.264 0.000 1.072 371 R CA -0.458 55.726 56.100 0.140 0.000 1.048 371 R CB 0.539 30.916 30.300 0.127 0.000 0.983 371 R HN 0.913 nan 8.270 nan 0.000 0.450 372 L N 6.646 127.985 121.223 0.193 0.000 2.380 372 L HA 0.249 4.588 4.340 -0.000 0.000 0.273 372 L C -1.787 175.249 176.870 0.277 0.000 1.138 372 L CA -1.955 53.069 54.840 0.307 0.000 0.832 372 L CB 0.841 43.078 42.059 0.298 0.000 1.124 372 L HN 0.518 nan 8.230 nan 0.000 0.454 373 P HA -0.012 nan 4.420 nan 0.000 0.265 373 P C -0.767 176.650 177.300 0.194 0.000 1.187 373 P CA -0.022 63.217 63.100 0.232 0.000 0.766 373 P CB 0.418 32.266 31.700 0.245 0.000 0.820 374 Q N 1.330 121.215 119.800 0.142 0.000 2.221 374 Q HA 0.157 4.496 4.340 -0.000 0.000 0.242 374 Q C 1.360 177.417 176.000 0.095 0.000 0.940 374 Q CA -0.571 55.301 55.803 0.115 0.000 0.896 374 Q CB 0.956 29.749 28.738 0.091 0.000 1.226 374 Q HN 0.117 nan 8.270 nan 0.000 0.463 375 V N 1.363 121.325 119.914 0.080 0.000 2.407 375 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 375 V C 1.441 177.571 176.094 0.061 0.000 1.055 375 V CA 2.398 64.736 62.300 0.063 0.000 1.049 375 V CB -0.810 31.046 31.823 0.055 0.000 0.662 375 V HN 0.829 nan 8.190 nan 0.000 0.455 376 D N 0.773 121.207 120.400 0.058 0.000 2.309 376 D HA -0.067 4.573 4.640 -0.000 0.000 0.212 376 D C 1.769 178.100 176.300 0.051 0.000 0.968 376 D CA 1.254 55.284 54.000 0.050 0.000 0.882 376 D CB -0.364 40.462 40.800 0.044 0.000 0.918 376 D HN 0.427 nan 8.370 nan 0.000 0.503 377 G N -0.716 108.121 108.800 0.061 0.000 3.159 377 G HA2 0.404 4.364 3.960 -0.000 0.000 0.232 377 G HA3 0.404 4.364 3.960 -0.000 0.000 0.232 377 G C 0.505 175.450 174.900 0.075 0.000 1.116 377 G CA 0.037 45.174 45.100 0.061 0.000 0.767 377 G HN 0.490 nan 8.290 nan 0.000 0.547 378 A N 0.364 123.234 122.820 0.083 0.000 2.386 378 A HA 0.569 4.888 4.320 -0.000 0.000 0.248 378 A C 0.147 177.812 177.584 0.134 0.000 1.082 378 A CA -0.338 51.760 52.037 0.101 0.000 0.789 378 A CB 0.281 19.329 19.000 0.081 0.000 1.025 378 A HN 0.246 nan 8.150 nan 0.000 0.490 379 I N 2.179 122.870 120.570 0.201 0.000 2.406 379 I HA 0.221 4.391 4.170 -0.000 0.000 0.293 379 I C 1.042 177.374 176.117 0.359 0.000 1.101 379 I CA 0.043 61.507 61.300 0.273 0.000 1.334 379 I CB 0.380 38.626 38.000 0.410 0.000 1.421 379 I HN 0.699 nan 8.210 nan 0.000 0.513 380 A N 9.964 132.891 122.820 0.178 0.000 2.407 380 A HA 0.435 4.755 4.320 -0.000 0.000 0.248 380 A C -2.015 175.570 177.584 0.002 0.000 1.082 380 A CA -1.046 51.067 52.037 0.127 0.000 0.785 380 A CB -0.355 18.675 19.000 0.051 0.000 1.020 380 A HN 0.512 nan 8.150 nan 0.000 0.489 381 P HA 0.165 nan 4.420 nan 0.000 0.269 381 P C -0.573 176.577 177.300 -0.250 0.000 1.215 381 P CA -0.084 62.840 63.100 -0.293 0.000 0.780 381 P CB 0.499 32.147 31.700 -0.086 0.000 0.898 382 I N 2.077 122.447 120.570 -0.334 0.000 2.428 382 I HA 0.098 4.268 4.170 -0.000 0.000 0.289 382 I C 0.493 176.502 176.117 -0.180 0.000 1.019 382 I CA -0.676 60.488 61.300 -0.227 0.000 1.351 382 I CB 1.196 39.053 38.000 -0.239 0.000 1.412 382 I HN 0.063 nan 8.210 nan 0.000 0.513 383 V N 8.649 128.488 119.914 -0.125 0.000 2.385 383 V HA 0.193 4.313 4.120 -0.000 0.000 0.269 383 V C -1.821 174.222 176.094 -0.086 0.000 1.043 383 V CA -1.396 60.842 62.300 -0.104 0.000 0.906 383 V CB 0.660 32.443 31.823 -0.067 0.000 0.995 383 V HN 0.654 nan 8.190 nan 0.000 0.467 384 P HA 0.095 nan 4.420 nan 0.000 0.266 384 P C 0.698 177.997 177.300 -0.001 0.000 1.193 384 P CA -0.039 63.044 63.100 -0.029 0.000 0.770 384 P CB 0.696 32.409 31.700 0.020 0.000 0.836 385 R N 1.105 121.611 120.500 0.010 0.000 2.153 385 R HA 0.052 4.391 4.340 -0.000 0.000 0.218 385 R C 0.224 176.541 176.300 0.028 0.000 1.072 385 R CA 0.919 57.026 56.100 0.011 0.000 0.990 385 R CB 0.159 30.462 30.300 0.005 0.000 0.889 385 R HN 0.679 nan 8.270 nan 0.000 0.452 386 S N -0.563 115.168 115.700 0.052 0.000 2.556 386 S HA 0.592 5.062 4.470 -0.000 0.000 0.271 386 S C -1.294 173.376 174.600 0.118 0.000 1.135 386 S CA -1.117 57.122 58.200 0.065 0.000 0.858 386 S CB 2.111 65.338 63.200 0.045 0.000 1.114 386 S HN 0.362 nan 8.310 nan 0.000 0.468 387 R N 0.698 121.269 120.500 0.118 0.000 2.629 387 R HA 0.764 5.103 4.340 -0.000 0.000 0.266 387 R C -1.574 174.767 176.300 0.068 0.000 1.051 387 R CA -1.093 55.106 56.100 0.165 0.000 0.895 387 R CB 1.374 31.886 30.300 0.354 0.000 1.246 387 R HN 0.780 nan 8.270 nan 0.000 0.459 388 R N 1.082 121.582 120.500 -0.000 0.000 2.643 388 R HA 0.362 4.702 4.340 -0.000 0.000 0.269 388 R C -1.262 175.003 176.300 -0.059 0.000 1.037 388 R CA -1.138 54.949 56.100 -0.022 0.000 0.894 388 R CB 2.845 33.137 30.300 -0.013 0.000 1.238 388 R HN 0.326 nan 8.270 nan 0.000 0.459 389 V N 2.929 122.805 119.914 -0.064 0.000 2.385 389 V HA 0.084 4.204 4.120 -0.000 0.000 0.269 389 V C 1.088 177.142 176.094 -0.068 0.000 1.043 389 V CA -0.152 62.108 62.300 -0.067 0.000 0.906 389 V CB 1.332 33.113 31.823 -0.071 0.000 0.995 389 V HN 0.749 nan 8.190 nan 0.000 0.467 390 V N 2.075 121.989 119.914 0.000 0.000 3.578 390 V HA 0.800 4.920 4.120 -0.000 0.000 0.290 390 V C 0.688 176.862 176.094 0.133 0.000 1.376 390 V CA 0.859 63.206 62.300 0.078 0.000 1.083 390 V CB -0.162 31.740 31.823 0.131 0.000 0.911 390 V HN 1.003 nan 8.190 nan 0.000 0.433 391 G N -0.996 107.859 108.800 0.093 0.000 2.323 391 G HA2 0.472 4.432 3.960 -0.000 0.000 0.291 391 G HA3 0.472 4.432 3.960 -0.000 0.000 0.291 391 G C -1.751 173.170 174.900 0.035 0.000 1.278 391 G CA 0.166 45.378 45.100 0.186 0.000 0.860 391 G HN 0.936 nan 8.290 nan 0.000 0.504 392 V N -0.070 119.842 119.914 -0.004 0.000 2.891 392 V HA 0.648 4.768 4.120 -0.000 0.000 0.304 392 V C -1.798 174.254 176.094 -0.069 0.000 1.171 392 V CA -0.828 61.416 62.300 -0.093 0.000 0.943 392 V CB 2.241 33.950 31.823 -0.190 0.000 1.037 392 V HN 0.726 nan 8.190 nan 0.000 0.427 393 D N 4.119 124.451 120.400 -0.113 0.000 2.274 393 D HA 0.505 5.145 4.640 -0.000 0.000 0.239 393 D C -0.534 175.693 176.300 -0.122 0.000 1.104 393 D CA 0.199 54.088 54.000 -0.186 0.000 0.840 393 D CB 1.925 42.566 40.800 -0.264 0.000 1.100 393 D HN 0.360 nan 8.370 nan 0.000 0.477 394 V N 4.103 123.950 119.914 -0.111 0.000 2.357 394 V HA 0.357 4.477 4.120 -0.000 0.000 0.284 394 V C -0.187 175.875 176.094 -0.053 0.000 1.018 394 V CA -0.746 61.557 62.300 0.005 0.000 0.841 394 V CB 0.541 32.393 31.823 0.048 0.000 0.991 394 V HN 0.329 nan 8.190 nan 0.000 0.437 395 F N 4.766 124.729 119.950 0.021 0.000 2.410 395 F HA 0.645 5.172 4.527 -0.000 0.000 0.349 395 F C 0.333 176.219 175.800 0.143 0.000 1.117 395 F CA -0.675 57.319 58.000 -0.009 0.000 1.104 395 F CB 1.734 40.735 39.000 0.002 0.000 1.122 395 F HN 0.415 nan 8.300 nan 0.000 0.483 396 V N 0.269 120.318 119.914 0.226 0.000 2.864 396 V HA 0.577 4.697 4.120 -0.000 0.000 0.314 396 V C -0.843 175.416 176.094 0.275 0.000 1.073 396 V CA -0.940 61.510 62.300 0.250 0.000 0.956 396 V CB 1.921 33.807 31.823 0.105 0.000 1.023 396 V HN 0.804 nan 8.190 nan 0.000 0.435 397 E N 1.577 121.944 120.200 0.277 0.000 2.113 397 E HA 0.637 4.987 4.350 -0.000 0.000 0.273 397 E C -0.832 175.920 176.600 0.253 0.000 0.924 397 E CA -0.171 56.387 56.400 0.265 0.000 0.764 397 E CB 1.458 31.279 29.700 0.202 0.000 1.104 397 E HN 1.066 nan 8.360 nan 0.000 0.406 398 T N 2.870 117.592 114.554 0.279 0.000 2.827 398 T HA 0.234 4.583 4.350 -0.000 0.000 0.328 398 T C -0.633 174.240 174.700 0.287 0.000 1.598 398 T CA -0.669 61.588 62.100 0.261 0.000 1.043 398 T CB 0.994 70.006 68.868 0.241 0.000 1.447 398 T HN 0.503 nan 8.240 nan 0.000 0.491 399 N N 1.479 120.307 118.700 0.214 0.000 2.205 399 N HA 0.137 4.876 4.740 -0.000 0.000 0.201 399 N C 0.232 175.843 175.510 0.167 0.000 1.128 399 N CA -0.275 52.893 53.050 0.196 0.000 0.867 399 N CB 0.348 38.912 38.487 0.127 0.000 0.996 399 N HN 0.423 nan 8.380 nan 0.000 0.503 400 L N 2.149 123.450 121.223 0.131 0.000 2.525 400 L HA 0.088 4.428 4.340 -0.000 0.000 0.278 400 L C 0.178 177.045 176.870 -0.005 0.000 1.218 400 L CA 0.113 54.987 54.840 0.056 0.000 0.878 400 L CB 0.268 42.363 42.059 0.060 0.000 1.127 400 L HN -0.003 nan 8.230 nan 0.000 0.492 401 L N 7.493 128.722 121.223 0.010 0.000 2.461 401 L HA 0.089 4.429 4.340 -0.000 0.000 0.272 401 L C -1.144 175.670 176.870 -0.094 0.000 1.197 401 L CA -1.237 53.614 54.840 0.018 0.000 0.836 401 L CB -0.065 42.015 42.059 0.035 0.000 1.105 401 L HN 0.604 nan 8.230 nan 0.000 0.477 402 P HA -0.262 nan 4.420 nan 0.000 0.217 402 P C 1.325 178.541 177.300 -0.140 0.000 1.162 402 P CA 1.374 64.409 63.100 -0.108 0.000 0.901 402 P CB 0.196 31.955 31.700 0.098 0.000 0.793 403 E N -0.741 119.460 120.200 0.001 0.000 2.058 403 E HA -0.220 4.129 4.350 -0.000 0.000 0.194 403 E C 1.943 178.466 176.600 -0.129 0.000 0.997 403 E CA 1.405 57.824 56.400 0.031 0.000 0.801 403 E CB -0.578 29.176 29.700 0.090 0.000 0.746 403 E HN 0.094 nan 8.360 nan 0.000 0.450 404 A N 0.832 123.590 122.820 -0.104 0.000 1.930 404 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 404 A C 2.115 179.599 177.584 -0.166 0.000 1.175 404 A CA 1.149 53.130 52.037 -0.094 0.000 0.627 404 A CB -0.582 18.397 19.000 -0.035 0.000 0.815 404 A HN 0.387 nan 8.150 nan 0.000 0.443 405 L N 0.204 121.258 121.223 -0.282 0.000 2.046 405 L HA -0.009 4.330 4.340 -0.000 0.000 0.208 405 L C 2.368 178.935 176.870 -0.505 0.000 1.077 405 L CA 2.262 56.851 54.840 -0.419 0.000 0.747 405 L CB -1.096 40.571 42.059 -0.654 0.000 0.896 405 L HN 0.296 nan 8.230 nan 0.000 0.432 406 G N -0.547 107.803 108.800 -0.750 0.000 2.446 406 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 406 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 406 G C 1.587 176.134 174.900 -0.587 0.000 1.168 406 G CA 0.730 45.124 45.100 -1.176 0.000 0.771 406 G HN 0.287 nan 8.290 nan 0.000 0.551 407 K N 1.053 121.239 120.400 -0.358 0.000 2.097 407 K HA 0.089 4.409 4.320 -0.000 0.000 0.205 407 K C 2.844 179.408 176.600 -0.060 0.000 1.050 407 K CA 1.144 57.356 56.287 -0.125 0.000 0.938 407 K CB -0.909 31.559 32.500 -0.053 0.000 0.718 407 K HN 0.277 nan 8.250 nan 0.000 0.442 408 A N 1.495 124.287 122.820 -0.046 0.000 1.902 408 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 408 A C 2.330 179.978 177.584 0.107 0.000 1.181 408 A CA 1.265 53.350 52.037 0.081 0.000 0.623 408 A CB -0.634 18.513 19.000 0.246 0.000 0.818 408 A HN 0.191 nan 8.150 nan 0.000 0.443 409 L N -0.941 120.292 121.223 0.016 0.000 2.156 409 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 409 L C 2.502 179.448 176.870 0.127 0.000 1.095 409 L CA 1.240 56.132 54.840 0.087 0.000 0.770 409 L CB -0.545 41.508 42.059 -0.010 0.000 0.914 409 L HN 0.469 nan 8.230 nan 0.000 0.439 410 E N 0.136 120.360 120.200 0.041 0.000 2.106 410 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 410 E C 1.649 178.297 176.600 0.081 0.000 0.984 410 E CA 1.191 57.636 56.400 0.074 0.000 0.806 410 E CB -0.013 29.712 29.700 0.042 0.000 0.750 410 E HN 0.458 nan 8.360 nan 0.000 0.458 411 D N 0.817 121.254 120.400 0.061 0.000 2.117 411 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 411 D C 2.066 178.403 176.300 0.061 0.000 0.987 411 D CA 0.845 54.877 54.000 0.053 0.000 0.829 411 D CB -0.155 40.670 40.800 0.042 0.000 0.961 411 D HN 0.169 nan 8.370 nan 0.000 0.460 412 L N 0.537 121.809 121.223 0.081 0.000 2.201 412 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 412 L C 2.312 179.209 176.870 0.045 0.000 1.105 412 L CA 0.850 55.729 54.840 0.066 0.000 0.775 412 L CB -0.233 41.884 42.059 0.097 0.000 0.913 412 L HN -0.031 nan 8.230 nan 0.000 0.440 413 A N -0.037 122.835 122.820 0.087 0.000 2.169 413 A HA 0.300 4.620 4.320 -0.000 0.000 0.212 413 A C 1.348 178.986 177.584 0.091 0.000 1.153 413 A CA 0.406 52.498 52.037 0.090 0.000 0.756 413 A CB -0.352 18.785 19.000 0.228 0.000 0.813 413 A HN 0.253 nan 8.150 nan 0.000 0.471 414 A N -0.645 122.219 122.820 0.072 0.000 2.548 414 A HA 0.438 4.757 4.320 -0.000 0.000 0.247 414 A C 1.569 179.177 177.584 0.040 0.000 1.067 414 A CA 0.726 52.795 52.037 0.053 0.000 0.757 414 A CB -0.657 18.368 19.000 0.041 0.000 0.996 414 A HN 1.902 nan 8.150 nan 0.000 0.504 415 G N 1.624 110.443 108.800 0.033 0.000 2.232 415 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.226 415 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.226 415 G C 0.625 175.544 174.900 0.031 0.000 0.996 415 G CA 0.847 45.961 45.100 0.023 0.000 0.626 415 G HN 2.069 nan 8.290 nan 0.000 0.509 416 T N -1.015 113.576 114.554 0.061 0.000 2.927 416 T HA 0.704 5.054 4.350 -0.000 0.000 0.281 416 T C -1.732 172.998 174.700 0.049 0.000 0.998 416 T CA -1.001 61.161 62.100 0.104 0.000 1.019 416 T CB 2.575 71.573 68.868 0.217 0.000 1.061 416 T HN 0.065 nan 8.240 nan 0.000 0.518 417 P HA 0.304 nan 4.420 nan 0.000 0.249 417 P C -1.130 175.831 177.300 -0.566 0.000 1.593 417 P CA -0.250 62.654 63.100 -0.327 0.000 0.896 417 P CB -0.703 30.784 31.700 -0.356 0.000 1.581 418 F N 0.949 120.905 119.950 0.011 0.000 2.588 418 F HA 0.521 5.048 4.527 -0.000 0.000 0.314 418 F C 0.847 176.714 175.800 0.112 0.000 1.069 418 F CA -0.997 57.050 58.000 0.077 0.000 0.931 418 F CB 2.249 41.292 39.000 0.072 0.000 1.260 418 F HN -0.194 nan 8.300 nan 0.000 0.465 419 R N 1.603 122.312 120.500 0.349 0.000 2.744 419 R HA 0.761 5.101 4.340 -0.000 0.000 0.279 419 R C -1.918 174.514 176.300 0.221 0.000 0.977 419 R CA -1.073 55.168 56.100 0.234 0.000 0.906 419 R CB 1.958 32.317 30.300 0.099 0.000 1.197 419 R HN 0.632 nan 8.270 nan 0.000 0.463 420 L N 2.914 124.185 121.223 0.080 0.000 2.361 420 L HA 0.227 4.567 4.340 -0.000 0.000 0.278 420 L C 0.954 177.741 176.870 -0.137 0.000 1.113 420 L CA 0.477 55.154 54.840 -0.272 0.000 0.849 420 L CB 0.910 42.787 42.059 -0.304 0.000 1.155 420 L HN 0.928 nan 8.230 nan 0.000 0.452 421 K N 4.576 124.871 120.400 -0.176 0.000 2.099 421 K HA 0.138 4.458 4.320 -0.000 0.000 0.203 421 K C -0.038 176.512 176.600 -0.083 0.000 1.047 421 K CA 1.329 57.563 56.287 -0.088 0.000 0.963 421 K CB 0.276 32.737 32.500 -0.065 0.000 0.759 421 K HN 0.815 nan 8.250 nan 0.000 0.451 422 M N -1.265 118.260 119.600 -0.125 0.000 3.012 422 M HA 0.416 4.896 4.480 -0.000 0.000 0.272 422 M C -1.762 174.473 176.300 -0.108 0.000 1.187 422 M CA -0.796 54.469 55.300 -0.059 0.000 0.813 422 M CB 1.527 34.088 32.600 -0.066 0.000 1.626 422 M HN -0.154 nan 8.290 nan 0.000 0.507 423 I N 1.407 121.964 120.570 -0.022 0.000 2.582 423 I HA 0.783 4.953 4.170 -0.000 0.000 0.292 423 I C -0.775 175.343 176.117 0.002 0.000 1.066 423 I CA -0.611 60.648 61.300 -0.068 0.000 1.053 423 I CB 2.582 40.532 38.000 -0.083 0.000 1.241 423 I HN 0.998 nan 8.210 nan 0.000 0.421 424 S N 4.188 119.874 115.700 -0.024 0.000 2.634 424 S HA 0.572 5.042 4.470 -0.000 0.000 0.296 424 S C -1.041 173.566 174.600 0.011 0.000 1.104 424 S CA -0.844 57.358 58.200 0.003 0.000 0.920 424 S CB 2.508 65.686 63.200 -0.037 0.000 1.111 424 S HN 0.649 nan 8.310 nan 0.000 0.493 425 N N 0.384 119.072 118.700 -0.020 0.000 2.410 425 N HA 0.290 5.030 4.740 -0.000 0.000 0.287 425 N C -0.576 174.905 175.510 -0.048 0.000 1.044 425 N CA -0.313 52.656 53.050 -0.136 0.000 0.881 425 N CB 1.119 39.459 38.487 -0.245 0.000 1.405 425 N HN 0.824 nan 8.380 nan 0.000 0.490 426 R N 2.249 122.752 120.500 0.005 0.000 3.758 426 R HA -0.229 4.111 4.340 -0.000 0.000 0.299 426 R C 0.809 177.144 176.300 0.058 0.000 1.182 426 R CA 0.989 57.125 56.100 0.060 0.000 0.809 426 R CB -1.851 28.468 30.300 0.031 0.000 1.249 426 R HN 0.972 nan 8.270 nan 0.000 0.497 427 G N -1.644 107.187 108.800 0.052 0.000 2.175 427 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.244 427 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.244 427 G C 0.164 175.081 174.900 0.028 0.000 0.982 427 G CA 0.436 45.566 45.100 0.049 0.000 0.641 427 G HN 0.332 nan 8.290 nan 0.000 0.527 428 T N 1.244 115.810 114.554 0.019 0.000 2.767 428 T HA 0.518 4.868 4.350 -0.000 0.000 0.284 428 T C 0.267 174.977 174.700 0.016 0.000 0.973 428 T CA -0.133 61.977 62.100 0.017 0.000 0.996 428 T CB 1.853 70.730 68.868 0.016 0.000 0.927 428 T HN 0.498 nan 8.240 nan 0.000 0.456 429 Q N 2.331 122.138 119.800 0.012 0.000 2.286 429 Q HA 0.171 4.510 4.340 -0.000 0.000 0.290 429 Q C 0.598 176.616 176.000 0.031 0.000 1.049 429 Q CA -0.018 55.791 55.803 0.011 0.000 0.923 429 Q CB 0.439 29.172 28.738 -0.008 0.000 1.183 429 Q HN 0.680 nan 8.270 nan 0.000 0.383 430 V N 1.539 121.494 119.914 0.067 0.000 3.451 430 V HA 0.340 4.460 4.120 -0.000 0.000 0.288 430 V C -0.643 175.535 176.094 0.139 0.000 1.502 430 V CA -0.375 61.986 62.300 0.102 0.000 1.026 430 V CB -0.031 31.890 31.823 0.163 0.000 0.840 430 V HN 0.723 nan 8.190 nan 0.000 0.437 431 Y N 1.258 121.537 120.300 -0.035 0.000 2.358 431 Y HA 0.736 5.285 4.550 -0.000 0.000 0.324 431 Y C -3.195 172.660 175.900 -0.076 0.000 1.123 431 Y CA -2.294 55.767 58.100 -0.064 0.000 1.067 431 Y CB 2.589 40.987 38.460 -0.104 0.000 1.230 431 Y HN -0.007 nan 8.280 nan 0.000 0.429 432 P HA 0.094 nan 4.420 nan 0.000 0.269 432 P C -2.604 174.533 177.300 -0.272 0.000 1.217 432 P CA -0.643 62.041 63.100 -0.695 0.000 0.783 432 P CB 0.200 31.611 31.700 -0.481 0.000 0.898 433 P HA -0.034 nan 4.420 nan 0.000 0.269 433 P C 0.368 177.632 177.300 -0.060 0.000 1.215 433 P CA 0.453 63.518 63.100 -0.058 0.000 0.780 433 P CB 0.353 32.037 31.700 -0.027 0.000 0.898 434 T N -3.168 111.370 114.554 -0.027 0.000 2.985 434 T HA 0.321 4.671 4.350 -0.000 0.000 0.254 434 T C 1.267 175.958 174.700 -0.014 0.000 1.021 434 T CA 0.609 62.694 62.100 -0.024 0.000 0.957 434 T CB -0.539 68.321 68.868 -0.013 0.000 1.047 434 T HN 0.642 nan 8.240 nan 0.000 0.511 435 G N 0.639 109.434 108.800 -0.008 0.000 2.176 435 G HA2 -0.050 3.909 3.960 -0.000 0.000 0.253 435 G HA3 -0.050 3.909 3.960 -0.000 0.000 0.253 435 G C 0.528 175.430 174.900 0.003 0.000 0.979 435 G CA -0.081 45.017 45.100 -0.003 0.000 0.641 435 G HN 1.005 nan 8.290 nan 0.000 0.530 436 G N -0.978 107.826 108.800 0.006 0.000 2.535 436 G HA2 0.614 4.574 3.960 -0.000 0.000 0.282 436 G HA3 0.614 4.574 3.960 -0.000 0.000 0.282 436 G C 0.526 175.435 174.900 0.015 0.000 1.350 436 G CA -0.529 44.577 45.100 0.010 0.000 1.039 436 G HN 0.737 nan 8.290 nan 0.000 0.509 437 L N 0.384 121.617 121.223 0.016 0.000 3.255 437 L HA 0.212 4.551 4.340 -0.000 0.000 0.293 437 L C 0.294 177.176 176.870 0.019 0.000 1.302 437 L CA -0.360 54.491 54.840 0.018 0.000 0.977 437 L CB 0.540 42.608 42.059 0.015 0.000 1.390 437 L HN 0.319 nan 8.230 nan 0.000 0.588 438 T N 0.161 114.728 114.554 0.021 0.000 2.908 438 T HA -0.017 4.332 4.350 -0.000 0.000 0.301 438 T C 0.074 174.787 174.700 0.021 0.000 1.019 438 T CA 0.289 62.401 62.100 0.020 0.000 1.152 438 T CB 0.922 69.803 68.868 0.022 0.000 0.966 438 T HN 0.111 nan 8.240 nan 0.000 0.540 439 D N 2.159 122.568 120.400 0.014 0.000 2.304 439 D HA 0.348 4.988 4.640 -0.000 0.000 0.247 439 D C -0.418 175.881 176.300 -0.002 0.000 1.089 439 D CA -0.438 53.569 54.000 0.011 0.000 0.910 439 D CB 0.559 41.364 40.800 0.009 0.000 1.199 439 D HN 0.344 nan 8.370 nan 0.000 0.426 440 L N 2.633 123.853 121.223 -0.005 0.000 2.334 440 L HA 0.536 4.875 4.340 -0.000 0.000 0.276 440 L C 0.191 177.021 176.870 -0.067 0.000 1.014 440 L CA -1.268 53.540 54.840 -0.053 0.000 0.815 440 L CB 1.673 43.721 42.059 -0.019 0.000 1.268 440 L HN 0.233 nan 8.230 nan 0.000 0.428 441 V N -1.895 117.942 119.914 -0.129 0.000 3.211 441 V HA 0.413 4.533 4.120 -0.000 0.000 0.319 441 V C 0.184 176.203 176.094 -0.124 0.000 1.096 441 V CA -0.666 61.587 62.300 -0.078 0.000 1.029 441 V CB 1.640 33.440 31.823 -0.037 0.000 1.137 441 V HN 0.852 nan 8.190 nan 0.000 0.453 442 D N -0.033 120.361 120.400 -0.011 0.000 2.504 442 D HA 0.065 4.705 4.640 -0.000 0.000 0.243 442 D C 0.265 176.647 176.300 0.137 0.000 1.203 442 D CA 0.267 54.307 54.000 0.065 0.000 0.847 442 D CB -0.762 40.099 40.800 0.101 0.000 0.973 442 D HN 0.877 nan 8.370 nan 0.000 0.490 443 H N -0.404 118.589 119.070 -0.128 0.000 2.689 443 H HA 0.310 4.866 4.556 -0.000 0.000 0.346 443 H C -1.654 173.580 175.328 -0.156 0.000 1.037 443 H CA -0.704 55.337 56.048 -0.011 0.000 1.234 443 H CB 0.971 30.755 29.762 0.036 0.000 1.572 443 H HN -0.078 nan 8.280 nan 0.000 0.524 444 Y N 3.117 123.280 120.300 -0.228 0.000 2.442 444 Y HA 0.294 4.843 4.550 -0.000 0.000 0.344 444 Y C 0.063 175.708 175.900 -0.424 0.000 0.976 444 Y CA -0.975 56.965 58.100 -0.268 0.000 1.040 444 Y CB 1.691 40.031 38.460 -0.200 0.000 1.228 444 Y HN 0.435 nan 8.280 nan 0.000 0.451 445 R N 2.822 123.121 120.500 -0.335 0.000 2.255 445 R HA 0.541 4.881 4.340 -0.000 0.000 0.326 445 R C -1.857 174.160 176.300 -0.472 0.000 0.986 445 R CA -0.280 55.370 56.100 -0.751 0.000 0.847 445 R CB 0.435 30.181 30.300 -0.923 0.000 1.111 445 R HN 0.841 nan 8.270 nan 0.000 0.452 446 C N 5.584 124.607 119.300 -0.463 0.000 2.271 446 C HA 0.459 4.919 4.460 -0.000 0.000 0.323 446 C C 0.471 175.190 174.990 -0.451 0.000 1.245 446 C CA -0.866 57.904 59.018 -0.414 0.000 1.548 446 C CB 0.239 27.782 27.740 -0.329 0.000 2.214 446 C HN 0.757 nan 8.230 nan 0.000 0.477 447 R N 2.424 122.646 120.500 -0.463 0.000 2.202 447 R HA 0.537 4.877 4.340 -0.000 0.000 0.334 447 R C -1.426 174.609 176.300 -0.441 0.000 1.036 447 R CA -0.077 55.808 56.100 -0.358 0.000 0.878 447 R CB 0.281 30.429 30.300 -0.252 0.000 1.067 447 R HN 0.610 nan 8.270 nan 0.000 0.457 448 F N 5.034 124.909 119.950 -0.125 0.000 2.458 448 F HA 0.405 4.932 4.527 -0.000 0.000 0.336 448 F C -0.137 175.713 175.800 0.082 0.000 1.114 448 F CA -0.715 57.271 58.000 -0.024 0.000 0.987 448 F CB 1.480 40.417 39.000 -0.105 0.000 1.130 448 F HN 0.219 nan 8.300 nan 0.000 0.458 449 L N 3.468 124.875 121.223 0.306 0.000 2.334 449 L HA 0.368 4.707 4.340 -0.000 0.000 0.276 449 L C -0.763 176.293 176.870 0.310 0.000 1.014 449 L CA -1.233 53.760 54.840 0.254 0.000 0.815 449 L CB 1.537 43.669 42.059 0.122 0.000 1.268 449 L HN 0.500 nan 8.230 nan 0.000 0.428 450 Y N 1.249 121.595 120.300 0.075 0.000 2.425 450 Y HA 0.041 4.591 4.550 -0.000 0.000 0.331 450 Y C 1.247 177.053 175.900 -0.156 0.000 1.157 450 Y CA 0.116 58.080 58.100 -0.227 0.000 1.372 450 Y CB 1.195 39.529 38.460 -0.210 0.000 1.253 450 Y HN 0.689 nan 8.280 nan 0.000 0.536 451 T N 1.099 115.200 114.554 -0.756 0.000 3.044 451 T HA 0.389 4.739 4.350 -0.000 0.000 0.260 451 T C 0.798 175.082 174.700 -0.692 0.000 1.019 451 T CA 0.189 61.967 62.100 -0.537 0.000 0.921 451 T CB -0.285 68.392 68.868 -0.318 0.000 1.053 451 T HN 0.709 nan 8.240 nan 0.000 0.533 452 G N 0.725 108.699 108.800 -1.376 0.000 2.510 452 G HA2 0.512 4.472 3.960 -0.000 0.000 0.280 452 G HA3 0.512 4.472 3.960 -0.000 0.000 0.280 452 G C -0.796 173.918 174.900 -0.310 0.000 1.386 452 G CA -0.757 43.870 45.100 -0.789 0.000 1.047 452 G HN 0.505 nan 8.290 nan 0.000 0.527 453 E N -1.112 119.063 120.200 -0.042 0.000 2.283 453 E HA 0.475 4.825 4.350 -0.000 0.000 0.271 453 E C 0.977 177.698 176.600 0.200 0.000 1.031 453 E CA 0.297 56.736 56.400 0.065 0.000 0.868 453 E CB 0.724 30.439 29.700 0.025 0.000 1.094 453 E HN 1.098 nan 8.360 nan 0.000 0.401 454 G N 3.048 111.931 108.800 0.139 0.000 2.536 454 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.277 454 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.277 454 G C -0.386 174.569 174.900 0.092 0.000 1.155 454 G CA 0.481 45.639 45.100 0.096 0.000 0.960 454 G HN 0.824 nan 8.290 nan 0.000 0.544 455 E N -0.692 119.459 120.200 -0.082 0.000 2.446 455 E HA 0.721 5.071 4.350 -0.000 0.000 0.276 455 E C -0.247 175.790 176.600 -0.939 0.000 0.969 455 E CA -0.597 55.581 56.400 -0.370 0.000 0.800 455 E CB 1.495 31.080 29.700 -0.192 0.000 1.341 455 E HN 1.662 nan 8.360 nan 0.000 0.460 456 A N 1.870 124.027 122.820 -1.105 0.000 2.404 456 A HA 0.302 4.622 4.320 -0.000 0.000 0.273 456 A C -0.354 177.032 177.584 -0.330 0.000 1.144 456 A CA -0.552 50.928 52.037 -0.928 0.000 0.806 456 A CB 0.134 18.886 19.000 -0.413 0.000 1.080 456 A HN 0.348 nan 8.150 nan 0.000 0.509 457 K N 1.939 122.216 120.400 -0.206 0.000 2.098 457 K HA 0.171 4.491 4.320 -0.000 0.000 0.261 457 K C 0.299 176.888 176.600 -0.019 0.000 0.987 457 K CA -0.710 55.527 56.287 -0.083 0.000 0.916 457 K CB 0.892 33.361 32.500 -0.053 0.000 1.039 457 K HN 0.667 nan 8.250 nan 0.000 0.455 458 D N 1.886 122.276 120.400 -0.017 0.000 2.133 458 D HA -0.163 4.477 4.640 -0.000 0.000 0.192 458 D C -0.909 175.387 176.300 -0.006 0.000 1.001 458 D CA 1.823 55.815 54.000 -0.012 0.000 0.844 458 D CB -0.926 39.867 40.800 -0.012 0.000 0.944 458 D HN 0.388 nan 8.370 nan 0.000 0.447 459 P HA -0.109 nan 4.420 nan 0.000 0.215 459 P C 1.243 178.559 177.300 0.027 0.000 1.153 459 P CA 1.259 64.364 63.100 0.008 0.000 0.853 459 P CB -0.030 31.677 31.700 0.013 0.000 0.788 460 E N -0.683 119.561 120.200 0.073 0.000 2.077 460 E HA -0.133 4.216 4.350 -0.000 0.000 0.193 460 E C 2.045 178.757 176.600 0.187 0.000 0.989 460 E CA 0.905 57.411 56.400 0.177 0.000 0.800 460 E CB -0.567 29.281 29.700 0.247 0.000 0.746 460 E HN 0.274 nan 8.360 nan 0.000 0.452 461 I N 1.168 121.791 120.570 0.090 0.000 2.179 461 I HA -0.276 3.893 4.170 -0.000 0.000 0.242 461 I C 2.381 178.349 176.117 -0.248 0.000 1.088 461 I CA 1.076 62.279 61.300 -0.161 0.000 1.357 461 I CB -0.269 37.660 38.000 -0.120 0.000 1.051 461 I HN 0.105 nan 8.210 nan 0.000 0.409 462 L N 0.316 121.449 121.223 -0.150 0.000 2.131 462 L HA -0.234 4.105 4.340 -0.000 0.000 0.210 462 L C 2.186 178.965 176.870 -0.153 0.000 1.092 462 L CA 1.517 56.258 54.840 -0.164 0.000 0.759 462 L CB -0.745 41.260 42.059 -0.089 0.000 0.903 462 L HN 0.326 nan 8.230 nan 0.000 0.435 463 D N 0.431 120.771 120.400 -0.099 0.000 2.117 463 D HA -0.225 4.415 4.640 -0.000 0.000 0.198 463 D C 2.121 178.338 176.300 -0.139 0.000 0.982 463 D CA 0.879 54.834 54.000 -0.074 0.000 0.828 463 D CB 0.097 40.891 40.800 -0.010 0.000 0.967 463 D HN 0.123 nan 8.370 nan 0.000 0.464 464 L N 0.024 121.107 121.223 -0.232 0.000 2.046 464 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 464 L C 2.193 178.803 176.870 -0.434 0.000 1.077 464 L CA 1.403 56.004 54.840 -0.398 0.000 0.747 464 L CB -0.560 41.026 42.059 -0.788 0.000 0.896 464 L HN 0.045 nan 8.230 nan 0.000 0.432 465 V N -0.079 119.562 119.914 -0.455 0.000 2.407 465 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 465 V C 2.808 178.729 176.094 -0.288 0.000 1.055 465 V CA 1.716 63.721 62.300 -0.492 0.000 1.049 465 V CB -1.053 30.368 31.823 -0.670 0.000 0.662 465 V HN 0.774 nan 8.190 nan 0.000 0.455 466 S N 0.598 116.193 115.700 -0.174 0.000 2.399 466 S HA -0.216 4.254 4.470 -0.000 0.000 0.231 466 S C 2.053 176.639 174.600 -0.024 0.000 1.022 466 S CA 1.239 59.412 58.200 -0.044 0.000 0.983 466 S CB -0.457 62.727 63.200 -0.026 0.000 0.803 466 S HN 0.601 nan 8.310 nan 0.000 0.480 467 R N 0.563 121.022 120.500 -0.069 0.000 2.075 467 R HA 0.052 4.392 4.340 -0.000 0.000 0.232 467 R C 2.357 178.658 176.300 0.001 0.000 1.126 467 R CA 1.369 57.445 56.100 -0.039 0.000 0.963 467 R CB -0.842 29.420 30.300 -0.064 0.000 0.858 467 R HN 0.360 nan 8.270 nan 0.000 0.435 468 V N 1.297 121.195 119.914 -0.026 0.000 2.343 468 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 468 V C 2.424 178.648 176.094 0.218 0.000 1.051 468 V CA 1.938 64.301 62.300 0.105 0.000 1.036 468 V CB -0.651 31.178 31.823 0.010 0.000 0.654 468 V HN 0.393 nan 8.190 nan 0.000 0.451 469 A N 0.658 123.593 122.820 0.191 0.000 2.067 469 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 469 A C 2.460 180.122 177.584 0.131 0.000 1.158 469 A CA 1.728 53.933 52.037 0.280 0.000 0.661 469 A CB -0.628 18.595 19.000 0.372 0.000 0.801 469 A HN 0.703 nan 8.150 nan 0.000 0.452 470 S N -0.933 114.806 115.700 0.065 0.000 2.469 470 S HA -0.131 4.339 4.470 -0.000 0.000 0.238 470 S C 1.727 176.287 174.600 -0.067 0.000 0.998 470 S CA 1.400 59.603 58.200 0.004 0.000 0.957 470 S CB -0.160 63.036 63.200 -0.006 0.000 0.764 470 S HN 0.701 nan 8.310 nan 0.000 0.514 471 R N -1.394 119.029 120.500 -0.127 0.000 2.561 471 R HA 0.392 4.732 4.340 -0.000 0.000 0.213 471 R C -0.919 175.053 176.300 -0.547 0.000 0.885 471 R CA -0.087 55.771 56.100 -0.403 0.000 1.002 471 R CB 0.575 30.481 30.300 -0.658 0.000 1.432 471 R HN 0.368 nan 8.270 nan 0.000 0.651 472 F N 0.972 120.964 119.950 0.071 0.000 2.538 472 F HA 0.503 5.030 4.527 -0.000 0.000 0.325 472 F C 0.097 175.976 175.800 0.131 0.000 1.066 472 F CA -1.023 57.031 58.000 0.090 0.000 0.946 472 F CB 1.211 40.267 39.000 0.093 0.000 1.199 472 F HN -0.247 nan 8.300 nan 0.000 0.473 473 R N 3.974 124.663 120.500 0.314 0.000 2.196 473 R HA 0.178 4.518 4.340 -0.000 0.000 0.340 473 R C -1.042 175.396 176.300 0.231 0.000 1.043 473 R CA -0.428 55.771 56.100 0.165 0.000 0.883 473 R CB 0.375 30.729 30.300 0.090 0.000 1.078 473 R HN 0.801 nan 8.270 nan 0.000 0.462 474 W N 6.666 128.054 121.300 0.146 0.000 2.509 474 W HA 0.301 4.961 4.660 -0.000 0.000 0.351 474 W C -0.196 176.409 176.519 0.143 0.000 1.107 474 W CA -1.031 56.406 57.345 0.153 0.000 1.264 474 W CB 0.820 30.353 29.460 0.123 0.000 1.312 474 W HN 0.500 nan 8.180 nan 0.000 0.608 475 M N 0.904 120.708 119.600 0.340 0.000 2.109 475 M HA 0.270 4.750 4.480 -0.000 0.000 0.372 475 M C -1.478 175.016 176.300 0.323 0.000 0.840 475 M CA 0.450 55.799 55.300 0.081 0.000 1.128 475 M CB -0.235 32.395 32.600 0.049 0.000 2.136 475 M HN 0.713 nan 8.290 nan 0.000 0.723 476 H N 0.854 120.176 119.070 0.419 0.000 2.947 476 H HA 0.738 5.294 4.556 -0.000 0.000 0.354 476 H C -2.102 173.461 175.328 0.390 0.000 1.085 476 H CA -0.668 55.509 56.048 0.216 0.000 1.253 476 H CB 1.906 31.535 29.762 -0.221 0.000 1.757 476 H HN 0.281 nan 8.280 nan 0.000 0.523 477 L N 4.010 125.562 121.223 0.548 0.000 2.381 477 L HA 0.471 4.811 4.340 -0.000 0.000 0.268 477 L C -0.780 176.260 176.870 0.284 0.000 0.997 477 L CA -0.902 54.108 54.840 0.284 0.000 0.818 477 L CB 2.185 44.260 42.059 0.027 0.000 1.310 477 L HN 0.624 nan 8.230 nan 0.000 0.416 478 E N 2.657 122.966 120.200 0.181 0.000 2.260 478 E HA 0.330 4.680 4.350 -0.000 0.000 0.266 478 E C -1.218 175.404 176.600 0.037 0.000 0.887 478 E CA -0.678 55.812 56.400 0.150 0.000 0.777 478 E CB 2.872 32.692 29.700 0.199 0.000 1.205 478 E HN 0.420 nan 8.360 nan 0.000 0.414 479 K N 2.064 122.482 120.400 0.030 0.000 2.295 479 K HA 0.345 4.665 4.320 -0.000 0.000 0.270 479 K C -0.001 176.565 176.600 -0.056 0.000 1.011 479 K CA -0.214 56.062 56.287 -0.018 0.000 0.953 479 K CB 0.782 33.288 32.500 0.010 0.000 0.956 479 K HN 0.304 nan 8.250 nan 0.000 0.477 480 L N 3.735 124.869 121.223 -0.147 0.000 2.280 480 L HA 0.288 4.628 4.340 -0.000 0.000 0.287 480 L C -0.184 176.639 176.870 -0.079 0.000 1.023 480 L CA -0.487 54.166 54.840 -0.312 0.000 0.819 480 L CB 1.211 42.805 42.059 -0.775 0.000 1.212 480 L HN 0.525 nan 8.230 nan 0.000 0.420 481 Q N 2.654 122.466 119.800 0.021 0.000 2.387 481 Q HA 0.549 4.889 4.340 -0.000 0.000 0.273 481 Q C -1.162 174.627 176.000 -0.352 0.000 1.089 481 Q CA -0.899 54.787 55.803 -0.196 0.000 0.824 481 Q CB 3.115 31.618 28.738 -0.391 0.000 1.367 481 Q HN 0.489 nan 8.270 nan 0.000 0.443 482 E N 1.228 121.172 120.200 -0.427 0.000 2.199 482 E HA 0.449 4.798 4.350 -0.000 0.000 0.269 482 E C -1.371 174.947 176.600 -0.469 0.000 0.899 482 E CA -0.502 55.674 56.400 -0.373 0.000 0.772 482 E CB 1.332 30.961 29.700 -0.118 0.000 1.155 482 E HN 0.304 nan 8.360 nan 0.000 0.408 483 F N 1.730 121.692 119.950 0.021 0.000 2.445 483 F HA 0.217 4.744 4.527 -0.000 0.000 0.348 483 F C 0.027 175.821 175.800 -0.010 0.000 1.125 483 F CA -1.222 56.782 58.000 0.007 0.000 0.983 483 F CB 1.009 40.011 39.000 0.004 0.000 1.198 483 F HN 0.368 nan 8.300 nan 0.000 0.436 484 D N 2.474 122.966 120.400 0.153 0.000 2.723 484 D HA -0.170 4.470 4.640 -0.000 0.000 0.236 484 D C 1.395 177.718 176.300 0.039 0.000 1.138 484 D CA 1.580 55.625 54.000 0.075 0.000 0.676 484 D CB -0.938 39.898 40.800 0.060 0.000 1.069 484 D HN 1.090 nan 8.370 nan 0.000 0.430 485 G N -0.770 108.044 108.800 0.023 0.000 2.184 485 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.264 485 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.264 485 G C 0.028 174.912 174.900 -0.027 0.000 0.975 485 G CA 0.627 45.725 45.100 -0.003 0.000 0.642 485 G HN 0.395 nan 8.290 nan 0.000 0.536 486 E N 1.115 121.298 120.200 -0.029 0.000 2.171 486 E HA 0.414 4.764 4.350 -0.000 0.000 0.271 486 E C -2.372 174.136 176.600 -0.153 0.000 0.916 486 E CA -2.107 54.251 56.400 -0.070 0.000 0.774 486 E CB 2.113 31.798 29.700 -0.024 0.000 1.128 486 E HN 0.223 nan 8.360 nan 0.000 0.403 487 P HA 0.047 nan 4.420 nan 0.000 0.271 487 P C 0.357 177.359 177.300 -0.498 0.000 1.220 487 P CA -0.142 62.592 63.100 -0.611 0.000 0.768 487 P CB 0.600 31.655 31.700 -1.075 0.000 0.848 488 G N 3.569 112.188 108.800 -0.301 0.000 3.639 488 G HA2 0.433 4.392 3.960 -0.000 0.000 0.279 488 G HA3 0.433 4.392 3.960 -0.000 0.000 0.279 488 G C -0.322 174.693 174.900 0.192 0.000 1.312 488 G CA -0.381 44.728 45.100 0.016 0.000 1.355 488 G HN 0.563 nan 8.290 nan 0.000 0.595 489 F N -1.992 117.974 119.950 0.027 0.000 2.741 489 F HA 0.704 5.230 4.527 -0.000 0.000 0.311 489 F C -0.269 175.550 175.800 0.032 0.000 1.149 489 F CA -1.351 56.672 58.000 0.039 0.000 0.930 489 F CB 0.703 39.717 39.000 0.023 0.000 1.312 489 F HN 0.062 nan 8.300 nan 0.000 0.450 490 T N -1.433 113.257 114.554 0.228 0.000 2.948 490 T HA 0.604 4.954 4.350 -0.000 0.000 0.285 490 T C -0.569 174.240 174.700 0.181 0.000 1.019 490 T CA -1.062 61.110 62.100 0.120 0.000 1.013 490 T CB 1.889 70.816 68.868 0.097 0.000 1.117 490 T HN 0.765 nan 8.240 nan 0.000 0.533 491 K N -0.027 120.433 120.400 0.100 0.000 2.127 491 K HA 0.669 4.989 4.320 -0.000 0.000 0.240 491 K C 0.257 176.896 176.600 0.065 0.000 1.024 491 K CA -0.890 55.451 56.287 0.089 0.000 0.918 491 K CB 0.837 33.366 32.500 0.049 0.000 1.108 491 K HN 0.814 nan 8.250 nan 0.000 0.485 492 A N 0.939 123.783 122.820 0.040 0.000 2.271 492 A HA 0.158 4.478 4.320 -0.000 0.000 0.288 492 A C -0.368 177.230 177.584 0.024 0.000 1.094 492 A CA -0.523 51.530 52.037 0.027 0.000 0.828 492 A CB 0.428 19.431 19.000 0.005 0.000 1.091 492 A HN 0.535 nan 8.150 nan 0.000 0.493 493 Q N -0.224 119.590 119.800 0.024 0.000 2.313 493 Q HA 0.372 4.712 4.340 -0.000 0.000 0.266 493 Q C 1.009 177.016 176.000 0.012 0.000 0.989 493 Q CA 1.238 57.053 55.803 0.021 0.000 0.890 493 Q CB 1.010 29.762 28.738 0.024 0.000 1.200 493 Q HN 1.677 nan 8.270 nan 0.000 0.396 494 G N 2.581 111.387 108.800 0.009 0.000 2.176 494 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.253 494 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.253 494 G C 0.111 175.007 174.900 -0.006 0.000 0.979 494 G CA 0.419 45.520 45.100 0.002 0.000 0.641 494 G HN 0.588 nan 8.290 nan 0.000 0.530 495 E N 1.141 121.339 120.200 -0.002 0.000 2.167 495 E HA 0.451 4.801 4.350 -0.000 0.000 0.284 495 E C -0.379 176.217 176.600 -0.006 0.000 1.016 495 E CA -0.711 55.684 56.400 -0.008 0.000 0.817 495 E CB 0.514 30.213 29.700 -0.001 0.000 1.080 495 E HN 0.216 nan 8.360 nan 0.000 0.397 496 D N 0.000 120.392 120.400 -0.014 0.000 6.856 496 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 496 D CA 0.000 53.993 54.000 -0.012 0.000 0.868 496 D CB 0.000 40.790 40.800 -0.017 0.000 0.688 496 D HN 0.000 nan 8.370 nan 0.000 0.683