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 3eao_1_D DATA FIRST_RESID 9 DATA SEQUENCE KSYDFDLIII GGGSGGLAAA KEAAKFDKKV MVLDFVTPTP LGTRWGLGGT DATA SEQUENCE cVNVGcIPKK LMHQAALLGQ ALKDSRNYGW KLEDTVKHDW EKMTESVQNH DATA SEQUENCE IGSLNWGYRV ALREKKVVYE NAYGKFIGPH KIMATNNKGK EKVYSAERFL DATA SEQUENCE IATGERPRYL GIPGDKEYCI SSDDLFSLPY CPGKTLVVGA SYVALECAGF DATA SEQUENCE LAGIGLDVTV MVRSILLRGF DQDMANKIGE HMEEHGIKFI RQFVPTKIEQ DATA SEQUENCE IEAGTPGRLK VTAKSTNSEE TIEDEFNTVL LAVGRDSCTR TIGLETVGVK DATA SEQUENCE INEKTGKIPV TDEEQTNVPY IYAIGDILEG KLELTPVAIQ AGRLLAQRLY DATA SEQUENCE GGSTVKCDYD NVPTTVFTPL EYGCCGLSEE KAVEKFGEEN IEVYHSFFWP DATA SEQUENCE LEWTVPSRDN NKCYAKVICN LKDNERVVGF HVLGPNAGEV TQGFAAALKC DATA SEQUENCE GLTKQQLDST IGIHPVCAEI FTTLSVTKRS GGDILQSGCX G 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.170 176.600 -0.717 0.000 0.988 9 K CA 0.000 55.973 56.287 -0.524 0.000 0.838 9 K CB 0.000 32.367 32.500 -0.222 0.000 1.064 10 S N 1.135 116.296 115.700 -0.899 0.000 2.720 10 S HA 0.590 5.060 4.470 0.000 0.000 0.278 10 S C -1.358 172.918 174.600 -0.540 0.000 1.172 10 S CA -0.393 57.435 58.200 -0.620 0.000 1.019 10 S CB 0.565 63.602 63.200 -0.273 0.000 1.049 10 S HN 0.339 nan 8.310 nan 0.000 0.483 11 Y N 1.640 121.964 120.300 0.039 0.000 2.675 11 Y HA 0.493 5.043 4.550 0.001 0.000 0.328 11 Y C 1.337 177.244 175.900 0.012 0.000 1.092 11 Y CA -1.094 57.045 58.100 0.065 0.000 1.190 11 Y CB 0.662 39.209 38.460 0.145 0.000 1.350 11 Y HN 0.463 nan 8.280 nan 0.000 0.525 12 D N 0.150 120.688 120.400 0.229 0.000 2.117 12 D HA -0.055 4.585 4.640 0.000 0.000 0.198 12 D C -0.481 175.605 176.300 -0.358 0.000 0.982 12 D CA 1.858 55.830 54.000 -0.047 0.000 0.828 12 D CB 0.112 40.986 40.800 0.124 0.000 0.967 12 D HN 0.216 nan 8.370 nan 0.000 0.464 13 F N -0.162 119.871 119.950 0.138 0.000 2.601 13 F HA 0.186 4.714 4.527 0.001 0.000 0.309 13 F C 1.039 176.865 175.800 0.043 0.000 1.089 13 F CA -0.999 57.028 58.000 0.045 0.000 0.940 13 F CB 1.976 40.947 39.000 -0.049 0.000 1.273 13 F HN -0.361 nan 8.300 nan 0.000 0.450 14 D N 0.945 121.483 120.400 0.230 0.000 2.117 14 D HA -0.054 4.586 4.640 0.000 0.000 0.198 14 D C -0.031 176.353 176.300 0.140 0.000 0.982 14 D CA 1.651 55.756 54.000 0.175 0.000 0.828 14 D CB 0.498 41.339 40.800 0.068 0.000 0.967 14 D HN 0.128 nan 8.370 nan 0.000 0.464 15 L N 0.403 121.662 121.223 0.059 0.000 2.493 15 L HA 0.397 4.737 4.340 0.000 0.000 0.265 15 L C -1.623 175.100 176.870 -0.245 0.000 0.954 15 L CA -0.389 54.421 54.840 -0.051 0.000 0.844 15 L CB 2.357 44.441 42.059 0.042 0.000 1.302 15 L HN -0.226 nan 8.230 nan 0.000 0.405 16 I N 5.849 126.141 120.570 -0.463 0.000 2.389 16 I HA 0.425 4.596 4.170 0.000 0.000 0.288 16 I C -0.708 175.229 176.117 -0.300 0.000 0.999 16 I CA -0.418 60.555 61.300 -0.545 0.000 1.129 16 I CB 1.725 39.248 38.000 -0.795 0.000 1.288 16 I HN 0.496 nan 8.210 nan 0.000 0.444 17 I N 7.514 127.959 120.570 -0.209 0.000 2.307 17 I HA 0.293 4.464 4.170 0.000 0.000 0.289 17 I C -0.079 175.978 176.117 -0.100 0.000 1.021 17 I CA -0.209 61.034 61.300 -0.095 0.000 1.224 17 I CB 0.894 38.847 38.000 -0.078 0.000 1.376 17 I HN 0.363 nan 8.210 nan 0.000 0.470 18 I N 6.858 127.393 120.570 -0.058 0.000 2.294 18 I HA 0.524 4.694 4.170 0.000 0.000 0.295 18 I C 0.687 176.756 176.117 -0.080 0.000 1.098 18 I CA -0.096 61.142 61.300 -0.104 0.000 1.277 18 I CB 0.055 37.970 38.000 -0.141 0.000 1.434 18 I HN 0.801 nan 8.210 nan 0.000 0.498 19 G N 3.653 112.406 108.800 -0.078 0.000 3.187 19 G HA2 0.063 4.024 3.960 0.000 0.000 0.682 19 G HA3 0.063 4.024 3.960 0.000 0.000 0.682 19 G C -0.088 174.785 174.900 -0.046 0.000 1.266 19 G CA -0.573 44.498 45.100 -0.048 0.000 0.902 19 G HN 0.892 nan 8.290 nan 0.000 0.589 20 G N 0.668 109.441 108.800 -0.045 0.000 3.949 20 G HA2 0.666 4.626 3.960 0.000 0.000 0.295 20 G HA3 0.666 4.626 3.960 0.000 0.000 0.295 20 G C 0.870 175.679 174.900 -0.151 0.000 1.286 20 G CA 0.933 45.971 45.100 -0.103 0.000 1.171 20 G HN 1.235 nan 8.290 nan 0.000 0.586 21 G N 0.015 108.753 108.800 -0.103 0.000 2.509 21 G HA2 0.353 4.313 3.960 0.000 0.000 0.269 21 G HA3 0.353 4.313 3.960 0.000 0.000 0.269 21 G C 1.219 176.031 174.900 -0.146 0.000 1.416 21 G CA 0.291 45.326 45.100 -0.108 0.000 1.052 21 G HN 0.169 nan 8.290 nan 0.000 0.542 22 S N -0.362 115.275 115.700 -0.105 0.000 2.359 22 S HA -0.127 4.344 4.470 0.000 0.000 0.224 22 S C 2.467 177.038 174.600 -0.049 0.000 1.035 22 S CA 1.737 59.888 58.200 -0.083 0.000 1.018 22 S CB -0.654 62.523 63.200 -0.039 0.000 0.876 22 S HN 0.768 nan 8.310 nan 0.000 0.448 23 G N 1.044 109.830 108.800 -0.024 0.000 2.394 23 G HA2 0.043 4.003 3.960 0.000 0.000 0.214 23 G HA3 0.043 4.003 3.960 0.000 0.000 0.214 23 G C 1.447 176.339 174.900 -0.014 0.000 1.176 23 G CA 0.856 45.953 45.100 -0.004 0.000 0.786 23 G HN 0.557 nan 8.290 nan 0.000 0.533 24 G N 1.277 110.059 108.800 -0.030 0.000 2.628 24 G HA2 -0.244 3.717 3.960 0.000 0.000 0.217 24 G HA3 -0.244 3.717 3.960 0.000 0.000 0.217 24 G C 1.788 176.658 174.900 -0.050 0.000 1.240 24 G CA 1.009 46.085 45.100 -0.040 0.000 0.792 24 G HN 0.399 nan 8.290 nan 0.000 0.593 25 L N 0.923 122.094 121.223 -0.086 0.000 2.191 25 L HA -0.001 4.339 4.340 0.000 0.000 0.212 25 L C 3.369 180.232 176.870 -0.012 0.000 1.103 25 L CA 0.744 55.539 54.840 -0.074 0.000 0.769 25 L CB -0.398 41.568 42.059 -0.156 0.000 0.908 25 L HN 0.336 nan 8.230 nan 0.000 0.438 26 A N 0.350 123.165 122.820 -0.008 0.000 1.858 26 A HA -0.167 4.153 4.320 0.000 0.000 0.216 26 A C 2.569 180.165 177.584 0.020 0.000 1.190 26 A CA 1.834 53.880 52.037 0.015 0.000 0.617 26 A CB -0.740 18.265 19.000 0.009 0.000 0.827 26 A HN 0.372 nan 8.150 nan 0.000 0.443 27 A N -0.254 122.575 122.820 0.015 0.000 1.873 27 A HA 0.208 4.529 4.320 0.000 0.000 0.215 27 A C 2.537 180.140 177.584 0.031 0.000 1.186 27 A CA 2.111 54.166 52.037 0.030 0.000 0.616 27 A CB -1.172 17.843 19.000 0.024 0.000 0.823 27 A HN 1.089 nan 8.150 nan 0.000 0.442 28 A N 0.803 123.625 122.820 0.004 0.000 1.859 28 A HA -0.266 4.054 4.320 0.000 0.000 0.217 28 A C 2.189 179.774 177.584 0.002 0.000 1.198 28 A CA 2.486 54.517 52.037 -0.011 0.000 0.629 28 A CB -0.587 18.392 19.000 -0.035 0.000 0.830 28 A HN 0.548 nan 8.150 nan 0.000 0.446 29 K N -0.246 120.160 120.400 0.009 0.000 2.209 29 K HA -0.202 4.118 4.320 0.000 0.000 0.204 29 K C 1.639 178.245 176.600 0.011 0.000 1.048 29 K CA 2.108 58.401 56.287 0.010 0.000 0.940 29 K CB -0.158 32.355 32.500 0.022 0.000 0.729 29 K HN 0.397 nan 8.250 nan 0.000 0.451 30 E N 0.766 120.988 120.200 0.036 0.000 2.112 30 E HA 0.062 4.413 4.350 0.000 0.000 0.190 30 E C 1.813 178.492 176.600 0.130 0.000 0.979 30 E CA 1.302 57.742 56.400 0.067 0.000 0.814 30 E CB -0.203 29.555 29.700 0.096 0.000 0.762 30 E HN 0.377 nan 8.360 nan 0.000 0.460 31 A N 0.697 123.595 122.820 0.131 0.000 2.019 31 A HA -0.055 4.265 4.320 0.000 0.000 0.219 31 A C 2.350 179.971 177.584 0.063 0.000 1.164 31 A CA 1.785 53.909 52.037 0.145 0.000 0.644 31 A CB -0.801 18.215 19.000 0.028 0.000 0.805 31 A HN 0.341 nan 8.150 nan 0.000 0.449 32 A N 0.068 122.893 122.820 0.008 0.000 1.930 32 A HA -0.146 4.174 4.320 0.000 0.000 0.217 32 A C 2.014 179.560 177.584 -0.064 0.000 1.175 32 A CA 1.666 53.688 52.037 -0.026 0.000 0.627 32 A CB -0.436 18.550 19.000 -0.024 0.000 0.815 32 A HN 0.548 nan 8.150 nan 0.000 0.443 33 K N -1.246 119.071 120.400 -0.138 0.000 2.173 33 K HA -0.180 4.140 4.320 0.000 0.000 0.207 33 K C 0.631 176.980 176.600 -0.417 0.000 1.046 33 K CA 1.649 57.737 56.287 -0.331 0.000 0.929 33 K CB -0.363 31.815 32.500 -0.537 0.000 0.720 33 K HN 0.600 nan 8.250 nan 0.000 0.453 34 F N 0.723 120.662 119.950 -0.019 0.000 2.645 34 F HA 0.070 4.597 4.527 0.000 0.000 0.300 34 F C -0.169 175.605 175.800 -0.043 0.000 1.115 34 F CA -0.516 57.478 58.000 -0.009 0.000 1.355 34 F CB -0.068 38.954 39.000 0.036 0.000 1.026 34 F HN -0.003 nan 8.300 nan 0.000 0.536 35 D N 1.984 122.413 120.400 0.049 0.000 3.038 35 D HA -0.189 4.451 4.640 0.000 0.000 0.229 35 D C -0.654 175.648 176.300 0.004 0.000 1.182 35 D CA 0.621 54.633 54.000 0.019 0.000 0.852 35 D CB -0.204 40.612 40.800 0.026 0.000 0.932 35 D HN 0.012 nan 8.370 nan 0.000 0.406 36 K N 1.582 121.955 120.400 -0.044 0.000 2.435 36 K HA 0.388 4.709 4.320 0.000 0.000 0.251 36 K C -0.036 176.552 176.600 -0.020 0.000 0.954 36 K CA -0.886 55.351 56.287 -0.084 0.000 0.820 36 K CB 1.341 33.659 32.500 -0.303 0.000 1.292 36 K HN 0.097 nan 8.250 nan 0.000 0.436 37 K N 1.498 121.923 120.400 0.041 0.000 2.338 37 K HA 0.267 4.587 4.320 0.000 0.000 0.290 37 K C -0.199 176.575 176.600 0.290 0.000 1.069 37 K CA -0.325 56.067 56.287 0.175 0.000 0.941 37 K CB 0.384 32.951 32.500 0.112 0.000 1.023 37 K HN 0.170 nan 8.250 nan 0.000 0.477 38 V N 4.411 124.439 119.914 0.189 0.000 2.680 38 V HA 0.457 4.577 4.120 0.000 0.000 0.309 38 V C -0.347 175.597 176.094 -0.250 0.000 1.052 38 V CA -0.937 61.346 62.300 -0.029 0.000 0.908 38 V CB 1.862 33.647 31.823 -0.064 0.000 1.001 38 V HN 0.779 nan 8.190 nan 0.000 0.431 39 M N 3.967 123.220 119.600 -0.578 0.000 2.327 39 M HA 0.630 5.111 4.480 0.000 0.000 0.298 39 M C -1.784 174.270 176.300 -0.409 0.000 1.065 39 M CA -0.552 54.341 55.300 -0.680 0.000 0.916 39 M CB 2.045 33.812 32.600 -1.388 0.000 1.630 39 M HN 0.480 nan 8.290 nan 0.000 0.442 40 V N 5.934 125.714 119.914 -0.224 0.000 2.427 40 V HA 0.458 4.578 4.120 0.000 0.000 0.286 40 V C -0.480 175.578 176.094 -0.060 0.000 1.034 40 V CA -0.593 61.642 62.300 -0.108 0.000 0.893 40 V CB 1.584 33.395 31.823 -0.020 0.000 0.982 40 V HN 0.751 nan 8.190 nan 0.000 0.452 41 L N 4.436 125.603 121.223 -0.093 0.000 2.298 41 L HA 0.589 4.929 4.340 0.000 0.000 0.284 41 L C -0.716 176.168 176.870 0.024 0.000 1.013 41 L CA -0.197 54.603 54.840 -0.066 0.000 0.824 41 L CB 1.555 43.526 42.059 -0.147 0.000 1.221 41 L HN 0.598 nan 8.230 nan 0.000 0.418 42 D N 2.549 123.048 120.400 0.165 0.000 2.498 42 D HA 0.603 5.243 4.640 0.000 0.000 0.247 42 D C -1.597 174.826 176.300 0.205 0.000 1.070 42 D CA -0.119 53.979 54.000 0.164 0.000 0.842 42 D CB 1.804 42.711 40.800 0.178 0.000 1.361 42 D HN 0.226 nan 8.370 nan 0.000 0.484 43 F N 3.382 123.329 119.950 -0.005 0.000 2.588 43 F HA 0.410 4.937 4.527 0.000 0.000 0.314 43 F C -1.508 174.275 175.800 -0.027 0.000 1.134 43 F CA -0.752 57.249 58.000 0.001 0.000 0.961 43 F CB 1.566 40.609 39.000 0.071 0.000 1.239 43 F HN 0.128 nan 8.300 nan 0.000 0.448 44 V N 4.673 124.260 119.914 -0.546 0.000 2.304 44 V HA 0.200 4.320 4.120 0.000 0.000 0.262 44 V C 0.290 176.116 176.094 -0.446 0.000 1.061 44 V CA -0.400 61.583 62.300 -0.529 0.000 0.872 44 V CB 0.894 32.145 31.823 -0.953 0.000 1.077 44 V HN 0.804 nan 8.190 nan 0.000 0.480 45 T N 5.525 120.067 114.554 -0.019 0.000 2.867 45 T HA 0.252 4.603 4.350 0.000 0.000 0.297 45 T C -2.078 172.556 174.700 -0.111 0.000 0.989 45 T CA -0.927 61.227 62.100 0.090 0.000 1.159 45 T CB 0.771 69.745 68.868 0.176 0.000 0.928 45 T HN 0.407 nan 8.240 nan 0.000 0.538 46 P HA 0.217 nan 4.420 nan 0.000 0.272 46 P C 0.402 177.682 177.300 -0.033 0.000 1.223 46 P CA -0.420 62.598 63.100 -0.136 0.000 0.784 46 P CB 0.384 32.038 31.700 -0.077 0.000 0.923 47 T N -0.083 114.484 114.554 0.022 0.000 2.802 47 T HA 0.139 4.490 4.350 0.000 0.000 0.305 47 T C -1.639 173.109 174.700 0.080 0.000 1.053 47 T CA -1.143 61.028 62.100 0.119 0.000 1.058 47 T CB -0.415 68.579 68.868 0.209 0.000 0.988 47 T HN 0.164 nan 8.240 nan 0.000 0.539 48 P HA -0.151 nan 4.420 nan 0.000 0.216 48 P C 1.220 178.530 177.300 0.017 0.000 1.167 48 P CA 1.366 64.465 63.100 -0.002 0.000 0.933 48 P CB -0.214 31.446 31.700 -0.066 0.000 0.793 49 L N -2.386 118.874 121.223 0.062 0.000 2.711 49 L HA 0.231 4.572 4.340 0.000 0.000 0.242 49 L C 1.247 178.158 176.870 0.069 0.000 1.153 49 L CA 0.917 55.796 54.840 0.065 0.000 0.898 49 L CB -1.361 40.756 42.059 0.098 0.000 1.044 49 L HN 0.118 nan 8.230 nan 0.000 0.437 50 G N -0.379 108.454 108.800 0.056 0.000 2.291 50 G HA2 -0.243 3.717 3.960 0.000 0.000 0.271 50 G HA3 -0.243 3.717 3.960 0.000 0.000 0.271 50 G C 0.148 175.077 174.900 0.049 0.000 1.099 50 G CA 0.178 45.300 45.100 0.038 0.000 0.919 50 G HN 0.276 nan 8.290 nan 0.000 0.496 51 T N -0.120 114.481 114.554 0.079 0.000 2.928 51 T HA 0.774 5.124 4.350 0.000 0.000 0.284 51 T C 0.609 175.302 174.700 -0.013 0.000 1.008 51 T CA -0.380 61.797 62.100 0.128 0.000 1.057 51 T CB 2.017 71.051 68.868 0.277 0.000 1.018 51 T HN 0.546 nan 8.240 nan 0.000 0.493 52 R N 0.189 120.698 120.500 0.016 0.000 2.888 52 R HA 0.765 5.106 4.340 0.000 0.000 0.264 52 R C -1.476 174.861 176.300 0.062 0.000 1.045 52 R CA -1.011 54.951 56.100 -0.229 0.000 0.962 52 R CB 2.029 32.224 30.300 -0.175 0.000 1.210 52 R HN 0.853 nan 8.270 nan 0.000 0.479 53 W N -1.520 119.741 121.300 -0.064 0.000 2.926 53 W HA 0.621 5.281 4.660 0.001 0.000 0.361 53 W C -0.874 175.581 176.519 -0.107 0.000 1.195 53 W CA -1.193 56.115 57.345 -0.061 0.000 1.177 53 W CB -0.107 29.335 29.460 -0.031 0.000 1.453 53 W HN 0.692 nan 8.180 nan 0.000 0.571 54 G N 0.487 109.389 108.800 0.171 0.000 2.543 54 G HA2 0.490 4.451 3.960 0.000 0.000 0.290 54 G HA3 0.490 4.451 3.960 0.000 0.000 0.290 54 G C -1.050 173.849 174.900 -0.001 0.000 1.310 54 G CA -1.081 44.006 45.100 -0.021 0.000 1.025 54 G HN 0.878 nan 8.290 nan 0.000 0.502 55 L N 0.027 121.168 121.223 -0.138 0.000 2.514 55 L HA 0.423 4.764 4.340 0.000 0.000 0.280 55 L C 1.367 178.122 176.870 -0.192 0.000 1.223 55 L CA 2.250 56.968 54.840 -0.204 0.000 0.864 55 L CB 0.931 42.740 42.059 -0.418 0.000 1.118 55 L HN 1.141 nan 8.230 nan 0.000 0.494 56 G N 1.285 109.917 108.800 -0.280 0.000 3.110 56 G HA2 0.331 4.292 3.960 0.000 0.000 0.205 56 G HA3 0.331 4.292 3.960 0.000 0.000 0.205 56 G C 0.736 175.468 174.900 -0.279 0.000 1.019 56 G CA 0.144 44.975 45.100 -0.449 0.000 0.826 56 G HN 1.825 nan 8.290 nan 0.000 0.481 57 G N -0.879 107.872 108.800 -0.081 0.000 2.615 57 G HA2 0.090 4.050 3.960 0.000 0.000 0.218 57 G HA3 0.090 4.050 3.960 0.000 0.000 0.218 57 G C 0.803 175.710 174.900 0.011 0.000 1.339 57 G CA 0.730 45.836 45.100 0.009 0.000 0.884 57 G HN 1.142 nan 8.290 nan 0.000 0.559 58 T N -0.514 114.053 114.554 0.022 0.000 2.812 58 T HA -0.116 4.234 4.350 0.000 0.000 0.264 58 T C 2.423 177.067 174.700 -0.093 0.000 1.042 58 T CA 2.378 64.466 62.100 -0.019 0.000 1.140 58 T CB -0.556 68.344 68.868 0.054 0.000 0.870 58 T HN 1.025 nan 8.240 nan 0.000 0.445 59 c N 1.367 119.928 118.600 -0.065 0.000 2.436 59 c HA -0.045 4.526 4.570 0.000 0.000 0.277 59 c C 2.769 176.780 174.090 -0.131 0.000 1.241 59 c CA 0.543 56.825 56.329 -0.077 0.000 1.721 59 c CB -1.227 41.257 42.510 -0.042 0.000 2.043 59 c HN 0.374 nan 8.230 nan 0.000 0.472 60 V N 1.943 121.783 119.914 -0.123 0.000 2.287 60 V HA -0.208 3.912 4.120 0.000 0.000 0.248 60 V C 2.241 178.220 176.094 -0.192 0.000 1.053 60 V CA 2.528 64.757 62.300 -0.119 0.000 1.027 60 V CB -0.674 31.096 31.823 -0.088 0.000 0.646 60 V HN 0.616 nan 8.190 nan 0.000 0.447 61 N N -0.385 118.145 118.700 -0.284 0.000 2.482 61 N HA 0.049 4.789 4.740 0.000 0.000 0.179 61 N C 0.977 176.159 175.510 -0.547 0.000 1.039 61 N CA 1.469 54.254 53.050 -0.441 0.000 0.884 61 N CB 1.346 39.408 38.487 -0.708 0.000 1.113 61 N HN 0.538 nan 8.380 nan 0.000 0.440 62 V N -3.020 116.588 119.914 -0.508 0.000 3.157 62 V HA 0.623 4.743 4.120 0.000 0.000 0.361 62 V C 0.467 176.507 176.094 -0.090 0.000 1.421 62 V CA -0.356 61.774 62.300 -0.285 0.000 1.213 62 V CB 0.533 32.068 31.823 -0.480 0.000 1.164 62 V HN 0.114 nan 8.190 nan 0.000 0.559 63 G N 0.133 108.789 108.800 -0.239 0.000 3.359 63 G HA2 0.240 4.201 3.960 0.000 0.000 0.187 63 G HA3 0.240 4.201 3.960 0.000 0.000 0.187 63 G C 1.021 175.793 174.900 -0.214 0.000 1.294 63 G CA 0.642 45.677 45.100 -0.108 0.000 0.769 63 G HN 0.303 nan 8.290 nan 0.000 0.733 64 c N 0.883 119.418 118.600 -0.109 0.000 2.398 64 c HA -0.032 4.538 4.570 0.000 0.000 0.276 64 c C 2.725 176.676 174.090 -0.231 0.000 1.222 64 c CA 0.390 56.645 56.329 -0.123 0.000 1.746 64 c CB -1.360 41.115 42.510 -0.058 0.000 2.039 64 c HN 0.387 nan 8.230 nan 0.000 0.470 65 I N 2.732 123.169 120.570 -0.221 0.000 2.076 65 I HA -0.107 4.063 4.170 0.000 0.000 0.237 65 I C 0.244 176.168 176.117 -0.323 0.000 1.059 65 I CA 1.589 62.763 61.300 -0.210 0.000 1.317 65 I CB -2.709 35.219 38.000 -0.120 0.000 1.037 65 I HN 0.225 nan 8.210 nan 0.000 0.398 66 P HA -0.177 nan 4.420 nan 0.000 0.218 66 P C 1.644 178.460 177.300 -0.806 0.000 1.149 66 P CA 1.455 64.163 63.100 -0.653 0.000 0.817 66 P CB -0.070 31.112 31.700 -0.862 0.000 0.785 67 K N 1.330 121.223 120.400 -0.846 0.000 2.002 67 K HA -0.174 4.147 4.320 0.000 0.000 0.209 67 K C 2.175 178.573 176.600 -0.336 0.000 1.048 67 K CA 1.754 57.758 56.287 -0.472 0.000 0.930 67 K CB -0.564 31.854 32.500 -0.137 0.000 0.714 67 K HN -0.106 nan 8.250 nan 0.000 0.438 68 K N 0.974 121.173 120.400 -0.335 0.000 2.063 68 K HA -0.060 4.261 4.320 0.000 0.000 0.208 68 K C 2.315 178.756 176.600 -0.265 0.000 1.048 68 K CA 1.216 57.306 56.287 -0.328 0.000 0.928 68 K CB -0.291 31.954 32.500 -0.424 0.000 0.713 68 K HN 0.165 nan 8.250 nan 0.000 0.442 69 L N -0.022 121.020 121.223 -0.300 0.000 2.012 69 L HA -0.211 4.130 4.340 0.000 0.000 0.210 69 L C 2.555 179.247 176.870 -0.297 0.000 1.073 69 L CA 1.627 56.302 54.840 -0.275 0.000 0.748 69 L CB -0.389 41.514 42.059 -0.260 0.000 0.891 69 L HN 0.301 nan 8.230 nan 0.000 0.431 70 M N -1.573 117.769 119.600 -0.431 0.000 2.296 70 M HA -0.196 4.285 4.480 0.000 0.000 0.265 70 M C 2.306 178.378 176.300 -0.380 0.000 1.064 70 M CA 1.222 56.181 55.300 -0.568 0.000 1.109 70 M CB -0.625 31.306 32.600 -1.114 0.000 1.396 70 M HN 0.278 nan 8.290 nan 0.000 0.430 71 H N 0.718 119.575 119.070 -0.355 0.000 2.321 71 H HA -0.207 4.349 4.556 0.000 0.000 0.300 71 H C 2.010 177.302 175.328 -0.060 0.000 1.087 71 H CA 2.309 58.322 56.048 -0.057 0.000 1.319 71 H CB -0.198 29.547 29.762 -0.028 0.000 1.379 71 H HN 0.291 nan 8.280 nan 0.000 0.501 72 Q N 0.468 120.121 119.800 -0.246 0.000 2.084 72 Q HA -0.061 4.279 4.340 0.000 0.000 0.202 72 Q C 2.443 178.327 176.000 -0.193 0.000 0.978 72 Q CA 2.021 57.657 55.803 -0.278 0.000 0.844 72 Q CB -0.826 27.780 28.738 -0.220 0.000 0.898 72 Q HN 0.533 nan 8.270 nan 0.000 0.426 73 A N 0.609 123.335 122.820 -0.156 0.000 1.903 73 A HA -0.216 4.104 4.320 0.000 0.000 0.219 73 A C 2.343 179.869 177.584 -0.096 0.000 1.191 73 A CA 2.511 54.481 52.037 -0.111 0.000 0.638 73 A CB -1.470 17.465 19.000 -0.109 0.000 0.823 73 A HN 0.592 nan 8.150 nan 0.000 0.451 74 A N -0.416 122.371 122.820 -0.055 0.000 1.865 74 A HA -0.080 4.240 4.320 0.000 0.000 0.217 74 A C 2.201 179.766 177.584 -0.032 0.000 1.191 74 A CA 1.597 53.635 52.037 0.003 0.000 0.623 74 A CB -0.728 18.361 19.000 0.150 0.000 0.826 74 A HN 0.501 nan 8.150 nan 0.000 0.444 75 L N -0.735 120.428 121.223 -0.101 0.000 2.043 75 L HA -0.223 4.118 4.340 0.000 0.000 0.212 75 L C 2.574 179.398 176.870 -0.076 0.000 1.075 75 L CA 1.248 56.025 54.840 -0.105 0.000 0.752 75 L CB -0.577 41.359 42.059 -0.204 0.000 0.891 75 L HN 0.382 nan 8.230 nan 0.000 0.432 76 L N -0.631 120.539 121.223 -0.088 0.000 2.131 76 L HA -0.128 4.213 4.340 0.000 0.000 0.210 76 L C 2.640 179.482 176.870 -0.047 0.000 1.092 76 L CA 1.092 55.888 54.840 -0.073 0.000 0.759 76 L CB -0.991 41.021 42.059 -0.078 0.000 0.903 76 L HN 0.319 nan 8.230 nan 0.000 0.435 77 G N -0.788 107.992 108.800 -0.033 0.000 2.459 77 G HA2 -0.360 3.600 3.960 0.000 0.000 0.217 77 G HA3 -0.360 3.600 3.960 0.000 0.000 0.217 77 G C 1.460 176.354 174.900 -0.009 0.000 1.183 77 G CA 0.696 45.789 45.100 -0.011 0.000 0.776 77 G HN 0.244 nan 8.290 nan 0.000 0.552 78 Q N 1.020 120.811 119.800 -0.014 0.000 2.077 78 Q HA -0.052 4.288 4.340 0.000 0.000 0.206 78 Q C 2.748 178.738 176.000 -0.018 0.000 0.989 78 Q CA 2.228 58.020 55.803 -0.018 0.000 0.853 78 Q CB -1.013 27.705 28.738 -0.033 0.000 0.907 78 Q HN 0.393 nan 8.270 nan 0.000 0.418 79 A N 0.305 123.108 122.820 -0.029 0.000 1.917 79 A HA -0.195 4.125 4.320 0.000 0.000 0.219 79 A C 2.180 179.742 177.584 -0.037 0.000 1.182 79 A CA 1.736 53.749 52.037 -0.040 0.000 0.633 79 A CB -0.906 18.051 19.000 -0.071 0.000 0.819 79 A HN 0.470 nan 8.150 nan 0.000 0.448 80 L N -1.181 120.021 121.223 -0.034 0.000 2.046 80 L HA -0.223 4.118 4.340 0.000 0.000 0.208 80 L C 2.611 179.496 176.870 0.024 0.000 1.077 80 L CA 2.014 56.842 54.840 -0.020 0.000 0.747 80 L CB -0.685 41.368 42.059 -0.010 0.000 0.896 80 L HN 0.396 nan 8.230 nan 0.000 0.432 81 K N 0.069 120.487 120.400 0.030 0.000 2.063 81 K HA -0.182 4.138 4.320 0.000 0.000 0.208 81 K C 1.741 178.391 176.600 0.083 0.000 1.048 81 K CA 1.693 58.009 56.287 0.050 0.000 0.928 81 K CB -0.081 32.439 32.500 0.034 0.000 0.713 81 K HN 0.253 nan 8.250 nan 0.000 0.442 82 D N -0.133 120.321 120.400 0.090 0.000 2.144 82 D HA -0.125 4.516 4.640 0.000 0.000 0.200 82 D C 1.916 178.379 176.300 0.271 0.000 0.978 82 D CA 1.419 55.523 54.000 0.174 0.000 0.833 82 D CB -0.318 40.584 40.800 0.170 0.000 0.961 82 D HN 0.192 nan 8.370 nan 0.000 0.470 83 S N 0.389 116.208 115.700 0.199 0.000 2.440 83 S HA -0.212 4.259 4.470 0.000 0.000 0.238 83 S C 1.916 176.761 174.600 0.407 0.000 1.010 83 S CA 0.847 59.230 58.200 0.304 0.000 0.972 83 S CB -0.174 63.072 63.200 0.078 0.000 0.774 83 S HN 0.142 nan 8.310 nan 0.000 0.501 84 R N 2.010 122.666 120.500 0.260 0.000 2.080 84 R HA -0.025 4.315 4.340 0.000 0.000 0.236 84 R C 1.912 178.315 176.300 0.172 0.000 1.137 84 R CA 1.925 58.144 56.100 0.199 0.000 0.943 84 R CB -0.405 29.972 30.300 0.127 0.000 0.846 84 R HN 0.487 nan 8.270 nan 0.000 0.431 85 N N -0.538 118.254 118.700 0.152 0.000 2.512 85 N HA -0.143 4.597 4.740 0.000 0.000 0.183 85 N C 0.601 176.094 175.510 -0.029 0.000 1.073 85 N CA 0.923 53.995 53.050 0.037 0.000 0.911 85 N CB 0.074 38.544 38.487 -0.027 0.000 0.964 85 N HN 0.371 nan 8.380 nan 0.000 0.447 86 Y N -0.068 120.304 120.300 0.120 0.000 2.466 86 Y HA 0.234 4.785 4.550 0.001 0.000 0.272 86 Y C 1.619 177.513 175.900 -0.010 0.000 1.169 86 Y CA 0.151 58.315 58.100 0.107 0.000 1.285 86 Y CB 0.328 38.918 38.460 0.217 0.000 1.078 86 Y HN 0.096 nan 8.280 nan 0.000 0.523 87 G N -1.435 107.418 108.800 0.088 0.000 2.134 87 G HA2 -0.251 3.709 3.960 0.000 0.000 0.209 87 G HA3 -0.251 3.709 3.960 0.000 0.000 0.209 87 G C -0.489 174.289 174.900 -0.204 0.000 0.993 87 G CA -0.672 44.372 45.100 -0.093 0.000 0.669 87 G HN 0.265 nan 8.290 nan 0.000 0.519 88 W N 1.384 122.731 121.300 0.078 0.000 2.335 88 W HA 0.595 5.255 4.660 0.000 0.000 0.306 88 W C 0.920 177.465 176.519 0.043 0.000 1.216 88 W CA -0.767 56.610 57.345 0.055 0.000 1.237 88 W CB 0.759 30.250 29.460 0.052 0.000 1.243 88 W HN 0.005 nan 8.180 nan 0.000 0.493 89 K N 4.006 124.529 120.400 0.205 0.000 2.408 89 K HA 0.060 4.380 4.320 0.000 0.000 0.231 89 K C -0.068 176.620 176.600 0.146 0.000 1.261 89 K CA -0.413 55.954 56.287 0.132 0.000 1.193 89 K CB -0.227 32.320 32.500 0.079 0.000 1.431 89 K HN 0.175 nan 8.250 nan 0.000 0.243 90 L N 1.953 123.271 121.223 0.157 0.000 2.416 90 L HA 0.053 4.393 4.340 0.000 0.000 0.272 90 L C 0.862 177.781 176.870 0.081 0.000 1.161 90 L CA 0.313 55.222 54.840 0.115 0.000 0.845 90 L CB 0.330 42.454 42.059 0.109 0.000 1.119 90 L HN 0.450 nan 8.230 nan 0.000 0.464 91 E N 1.972 122.211 120.200 0.065 0.000 2.494 91 E HA -0.144 4.207 4.350 0.000 0.000 0.262 91 E C 0.402 177.031 176.600 0.049 0.000 1.294 91 E CA 0.427 56.857 56.400 0.050 0.000 1.062 91 E CB 0.444 30.169 29.700 0.042 0.000 0.982 91 E HN 0.664 nan 8.360 nan 0.000 0.495 92 D N -0.989 119.435 120.400 0.041 0.000 2.183 92 D HA -0.002 4.638 4.640 0.000 0.000 0.205 92 D C -0.409 175.915 176.300 0.039 0.000 0.962 92 D CA 0.957 54.980 54.000 0.039 0.000 0.849 92 D CB 0.416 41.235 40.800 0.032 0.000 0.978 92 D HN 0.301 nan 8.370 nan 0.000 0.488 93 T N 0.005 114.582 114.554 0.038 0.000 3.041 93 T HA 0.369 4.720 4.350 0.000 0.000 0.321 93 T C -0.535 174.191 174.700 0.042 0.000 1.184 93 T CA -0.718 61.407 62.100 0.040 0.000 1.050 93 T CB 2.748 71.639 68.868 0.039 0.000 1.159 93 T HN -0.296 nan 8.240 nan 0.000 0.469 94 V N 2.903 122.844 119.914 0.045 0.000 2.472 94 V HA 0.496 4.617 4.120 0.000 0.000 0.290 94 V C 0.209 176.343 176.094 0.065 0.000 1.037 94 V CA -0.831 61.497 62.300 0.048 0.000 0.908 94 V CB 1.633 33.480 31.823 0.041 0.000 0.985 94 V HN 0.719 nan 8.190 nan 0.000 0.454 95 K N 2.259 122.699 120.400 0.067 0.000 2.095 95 K HA 0.438 4.759 4.320 0.000 0.000 0.252 95 K C -0.516 176.158 176.600 0.124 0.000 0.977 95 K CA -0.713 55.629 56.287 0.091 0.000 0.900 95 K CB 1.076 33.616 32.500 0.068 0.000 1.060 95 K HN 0.764 nan 8.250 nan 0.000 0.449 96 H N 1.351 120.459 119.070 0.063 0.000 2.463 96 H HA 0.130 4.687 4.556 0.001 0.000 0.332 96 H C -1.323 174.066 175.328 0.101 0.000 1.127 96 H CA -0.367 55.727 56.048 0.077 0.000 1.238 96 H CB 1.621 31.443 29.762 0.100 0.000 1.478 96 H HN 0.542 nan 8.280 nan 0.000 0.499 97 D N 5.601 125.612 120.400 -0.649 0.000 2.464 97 D HA -0.041 4.599 4.640 0.000 0.000 0.243 97 D C 1.072 177.161 176.300 -0.351 0.000 1.104 97 D CA -0.543 53.259 54.000 -0.330 0.000 0.883 97 D CB -0.004 40.685 40.800 -0.184 0.000 1.050 97 D HN 0.659 nan 8.370 nan 0.000 0.524 98 W N 4.850 126.037 121.300 -0.189 0.000 2.321 98 W HA -0.218 4.442 4.660 0.000 0.000 0.306 98 W C 0.986 177.501 176.519 -0.006 0.000 1.217 98 W CA 1.443 58.798 57.345 0.016 0.000 1.257 98 W CB 0.296 29.821 29.460 0.107 0.000 1.145 98 W HN 0.501 nan 8.180 nan 0.000 0.509 99 E N 0.499 120.783 120.200 0.140 0.000 2.028 99 E HA -0.265 4.085 4.350 0.000 0.000 0.191 99 E C 1.918 178.476 176.600 -0.069 0.000 0.988 99 E CA 1.498 57.941 56.400 0.070 0.000 0.799 99 E CB -0.731 29.046 29.700 0.128 0.000 0.755 99 E HN 0.058 nan 8.360 nan 0.000 0.447 100 K N 1.599 121.949 120.400 -0.083 0.000 2.074 100 K HA -0.183 4.137 4.320 0.000 0.000 0.209 100 K C 2.133 178.647 176.600 -0.143 0.000 1.048 100 K CA 1.599 57.826 56.287 -0.101 0.000 0.926 100 K CB -0.363 32.073 32.500 -0.106 0.000 0.713 100 K HN 0.148 nan 8.250 nan 0.000 0.444 101 M N 0.199 119.673 119.600 -0.211 0.000 2.066 101 M HA -0.185 4.295 4.480 0.000 0.000 0.259 101 M C 1.850 177.984 176.300 -0.278 0.000 1.074 101 M CA 2.693 57.865 55.300 -0.213 0.000 1.114 101 M CB -0.629 31.869 32.600 -0.171 0.000 1.306 101 M HN 0.385 nan 8.290 nan 0.000 0.411 102 T N -1.896 112.386 114.554 -0.454 0.000 2.897 102 T HA -0.195 4.155 4.350 0.000 0.000 0.271 102 T C 1.588 176.186 174.700 -0.171 0.000 1.084 102 T CA 1.676 63.547 62.100 -0.382 0.000 1.123 102 T CB -0.683 67.893 68.868 -0.486 0.000 0.865 102 T HN 0.642 nan 8.240 nan 0.000 0.496 103 E N 1.116 121.239 120.200 -0.129 0.000 2.047 103 E HA -0.115 4.235 4.350 0.000 0.000 0.191 103 E C 2.265 178.835 176.600 -0.051 0.000 0.987 103 E CA 1.223 57.589 56.400 -0.058 0.000 0.799 103 E CB -0.167 29.511 29.700 -0.038 0.000 0.752 103 E HN 0.595 nan 8.360 nan 0.000 0.449 104 S N 0.261 115.917 115.700 -0.073 0.000 2.382 104 S HA -0.126 4.345 4.470 0.000 0.000 0.228 104 S C 2.094 176.668 174.600 -0.045 0.000 1.027 104 S CA 1.098 59.264 58.200 -0.056 0.000 0.991 104 S CB -0.171 62.983 63.200 -0.076 0.000 0.823 104 S HN 0.137 nan 8.310 nan 0.000 0.469 105 V N 2.158 122.022 119.914 -0.083 0.000 2.255 105 V HA -0.193 3.927 4.120 0.000 0.000 0.247 105 V C 2.687 178.763 176.094 -0.029 0.000 1.051 105 V CA 1.559 63.811 62.300 -0.080 0.000 1.018 105 V CB -0.703 31.031 31.823 -0.148 0.000 0.641 105 V HN 0.400 nan 8.190 nan 0.000 0.445 106 Q N 0.038 119.820 119.800 -0.030 0.000 2.084 106 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 106 Q C 2.195 178.208 176.000 0.021 0.000 0.978 106 Q CA 1.341 57.144 55.803 0.000 0.000 0.844 106 Q CB -0.820 27.929 28.738 0.018 0.000 0.898 106 Q HN 0.674 nan 8.270 nan 0.000 0.426 107 N N 0.143 118.858 118.700 0.025 0.000 2.137 107 N HA -0.214 4.527 4.740 0.000 0.000 0.190 107 N C 1.743 177.289 175.510 0.061 0.000 1.017 107 N CA 1.371 54.445 53.050 0.041 0.000 0.859 107 N CB -0.176 38.329 38.487 0.029 0.000 1.002 107 N HN 0.363 nan 8.380 nan 0.000 0.428 108 H N 0.973 120.023 119.070 -0.033 0.000 2.372 108 H HA 0.138 4.694 4.556 0.001 0.000 0.301 108 H C 2.175 177.489 175.328 -0.022 0.000 1.065 108 H CA 0.971 56.996 56.048 -0.037 0.000 1.364 108 H CB -0.198 29.522 29.762 -0.069 0.000 1.406 108 H HN 0.095 nan 8.280 nan 0.000 0.521 109 I N 0.023 120.537 120.570 -0.093 0.000 2.091 109 I HA -0.282 3.888 4.170 0.000 0.000 0.239 109 I C 2.773 178.838 176.117 -0.087 0.000 1.061 109 I CA 1.482 62.706 61.300 -0.126 0.000 1.317 109 I CB -0.829 37.126 38.000 -0.075 0.000 1.031 109 I HN 0.485 nan 8.210 nan 0.000 0.401 110 G N 0.597 109.393 108.800 -0.006 0.000 2.556 110 G HA2 -0.393 3.567 3.960 0.000 0.000 0.220 110 G HA3 -0.393 3.567 3.960 0.000 0.000 0.220 110 G C 1.752 176.730 174.900 0.130 0.000 1.156 110 G CA 1.592 46.744 45.100 0.087 0.000 0.766 110 G HN 0.536 nan 8.290 nan 0.000 0.583 111 S N 0.206 115.923 115.700 0.029 0.000 2.428 111 S HA 0.110 4.580 4.470 0.000 0.000 0.230 111 S C 2.343 176.918 174.600 -0.042 0.000 1.014 111 S CA 0.988 59.206 58.200 0.029 0.000 0.957 111 S CB -0.246 62.939 63.200 -0.026 0.000 0.784 111 S HN 0.336 nan 8.310 nan 0.000 0.499 112 L N 1.638 122.764 121.223 -0.162 0.000 2.005 112 L HA -0.096 4.244 4.340 0.000 0.000 0.207 112 L C 2.549 179.456 176.870 0.061 0.000 1.072 112 L CA 1.682 56.450 54.840 -0.120 0.000 0.744 112 L CB -1.130 40.849 42.059 -0.132 0.000 0.895 112 L HN 0.385 nan 8.230 nan 0.000 0.433 113 N N -0.589 118.132 118.700 0.036 0.000 2.049 113 N HA -0.279 4.462 4.740 0.000 0.000 0.198 113 N C 1.593 177.054 175.510 -0.080 0.000 1.030 113 N CA 2.160 55.185 53.050 -0.042 0.000 0.870 113 N CB -0.302 38.083 38.487 -0.170 0.000 1.045 113 N HN 0.298 nan 8.380 nan 0.000 0.434 114 W N 0.613 121.911 121.300 -0.003 0.000 2.584 114 W HA 0.154 4.814 4.660 0.000 0.000 0.264 114 W C 2.474 178.963 176.519 -0.051 0.000 1.264 114 W CA 0.468 57.804 57.345 -0.016 0.000 1.306 114 W CB -0.479 28.970 29.460 -0.018 0.000 1.110 114 W HN 0.126 nan 8.180 nan 0.000 0.606 115 G N -0.248 108.605 108.800 0.088 0.000 2.446 115 G HA2 -0.318 3.643 3.960 0.000 0.000 0.217 115 G HA3 -0.318 3.643 3.960 0.000 0.000 0.217 115 G C 1.084 175.898 174.900 -0.145 0.000 1.168 115 G CA 1.064 46.110 45.100 -0.090 0.000 0.771 115 G HN 0.240 nan 8.290 nan 0.000 0.551 116 Y N 0.133 120.389 120.300 -0.072 0.000 2.263 116 Y HA 0.066 4.616 4.550 0.000 0.000 0.292 116 Y C 2.926 178.731 175.900 -0.159 0.000 1.130 116 Y CA 1.241 59.266 58.100 -0.126 0.000 1.179 116 Y CB -0.267 38.087 38.460 -0.176 0.000 0.998 116 Y HN 0.069 nan 8.280 nan 0.000 0.532 117 R N -0.103 120.383 120.500 -0.023 0.000 2.091 117 R HA -0.154 4.186 4.340 0.000 0.000 0.238 117 R C 2.059 178.394 176.300 0.059 0.000 1.136 117 R CA 1.664 57.722 56.100 -0.069 0.000 0.959 117 R CB -0.534 29.711 30.300 -0.092 0.000 0.856 117 R HN 0.177 nan 8.270 nan 0.000 0.437 118 V N 0.759 120.735 119.914 0.103 0.000 2.261 118 V HA -0.245 3.875 4.120 0.000 0.000 0.246 118 V C 2.429 178.541 176.094 0.029 0.000 1.047 118 V CA 1.977 64.326 62.300 0.081 0.000 1.015 118 V CB -0.781 31.084 31.823 0.070 0.000 0.642 118 V HN 0.565 nan 8.190 nan 0.000 0.446 119 A N -0.356 122.461 122.820 -0.005 0.000 1.948 119 A HA -0.198 4.122 4.320 0.000 0.000 0.220 119 A C 2.216 179.801 177.584 0.003 0.000 1.177 119 A CA 1.966 53.991 52.037 -0.019 0.000 0.636 119 A CB -0.566 18.404 19.000 -0.051 0.000 0.815 119 A HN 0.521 nan 8.150 nan 0.000 0.449 120 L N -1.451 119.777 121.223 0.009 0.000 2.056 120 L HA -0.158 4.182 4.340 0.000 0.000 0.207 120 L C 2.815 179.704 176.870 0.031 0.000 1.078 120 L CA 1.644 56.490 54.840 0.010 0.000 0.749 120 L CB -0.534 41.515 42.059 -0.017 0.000 0.901 120 L HN 0.460 nan 8.230 nan 0.000 0.433 121 R N 0.193 120.722 120.500 0.047 0.000 2.083 121 R HA -0.181 4.160 4.340 0.000 0.000 0.237 121 R C 2.240 178.562 176.300 0.037 0.000 1.137 121 R CA 1.488 57.623 56.100 0.058 0.000 0.951 121 R CB 0.003 30.348 30.300 0.076 0.000 0.851 121 R HN 0.293 nan 8.270 nan 0.000 0.434 122 E N 0.627 120.841 120.200 0.024 0.000 2.077 122 E HA -0.153 4.197 4.350 0.000 0.000 0.193 122 E C 1.630 178.231 176.600 0.003 0.000 0.989 122 E CA 1.101 57.507 56.400 0.010 0.000 0.800 122 E CB 0.000 29.699 29.700 -0.002 0.000 0.746 122 E HN 0.249 nan 8.360 nan 0.000 0.452 123 K N 0.556 120.956 120.400 0.001 0.000 2.487 123 K HA 0.059 4.380 4.320 0.000 0.000 0.192 123 K C 0.459 177.061 176.600 0.003 0.000 1.027 123 K CA -0.001 56.282 56.287 -0.007 0.000 1.054 123 K CB 0.342 32.834 32.500 -0.013 0.000 0.824 123 K HN 0.093 nan 8.250 nan 0.000 0.510 124 K N -0.228 120.183 120.400 0.018 0.000 3.423 124 K HA -0.117 4.203 4.320 0.000 0.000 0.306 124 K C -0.406 176.221 176.600 0.044 0.000 1.331 124 K CA 0.274 56.580 56.287 0.032 0.000 0.905 124 K CB -1.556 30.959 32.500 0.026 0.000 1.332 124 K HN -0.072 nan 8.250 nan 0.000 0.473 125 V N 1.522 121.455 119.914 0.033 0.000 2.715 125 V HA 0.084 4.204 4.120 0.000 0.000 0.299 125 V C 0.925 177.050 176.094 0.052 0.000 1.054 125 V CA -0.393 61.924 62.300 0.028 0.000 1.077 125 V CB 1.523 33.345 31.823 -0.002 0.000 0.972 125 V HN 0.006 nan 8.190 nan 0.000 0.484 126 V N 5.295 125.235 119.914 0.044 0.000 2.432 126 V HA 0.166 4.286 4.120 0.000 0.000 0.271 126 V C -0.360 175.755 176.094 0.035 0.000 1.046 126 V CA -0.358 61.974 62.300 0.054 0.000 0.945 126 V CB 0.525 32.405 31.823 0.095 0.000 0.992 126 V HN 0.710 nan 8.190 nan 0.000 0.471 127 Y N 4.579 124.843 120.300 -0.059 0.000 2.323 127 Y HA 0.673 5.223 4.550 0.001 0.000 0.331 127 Y C -0.171 175.688 175.900 -0.068 0.000 1.092 127 Y CA -1.397 56.656 58.100 -0.077 0.000 1.150 127 Y CB 1.589 40.021 38.460 -0.047 0.000 1.200 127 Y HN 0.691 nan 8.280 nan 0.000 0.472 128 E N 4.441 124.351 120.200 -0.484 0.000 2.265 128 E HA 0.193 4.544 4.350 0.000 0.000 0.262 128 E C -1.257 174.949 176.600 -0.657 0.000 0.889 128 E CA -0.338 55.754 56.400 -0.513 0.000 0.789 128 E CB 0.604 30.133 29.700 -0.285 0.000 1.221 128 E HN 0.717 nan 8.360 nan 0.000 0.414 129 N N 3.379 121.640 118.700 -0.732 0.000 2.739 129 N HA 0.377 5.118 4.740 0.000 0.000 0.266 129 N C -1.234 174.288 175.510 0.020 0.000 1.168 129 N CA 0.167 52.988 53.050 -0.381 0.000 1.055 129 N CB 0.057 38.356 38.487 -0.312 0.000 1.393 129 N HN 0.400 nan 8.380 nan 0.000 0.514 130 A N 2.769 125.636 122.820 0.078 0.000 2.572 130 A HA 0.257 4.577 4.320 0.000 0.000 0.295 130 A C -1.754 175.858 177.584 0.047 0.000 1.072 130 A CA -0.644 51.450 52.037 0.094 0.000 0.691 130 A CB 0.818 19.819 19.000 0.001 0.000 1.291 130 A HN 0.589 nan 8.150 nan 0.000 0.404 131 Y N 1.184 121.298 120.300 -0.311 0.000 2.402 131 Y HA 0.448 4.998 4.550 0.000 0.000 0.333 131 Y C 0.889 176.697 175.900 -0.153 0.000 1.076 131 Y CA 0.879 58.824 58.100 -0.259 0.000 1.299 131 Y CB 0.862 39.034 38.460 -0.481 0.000 1.197 131 Y HN 0.790 nan 8.280 nan 0.000 0.517 132 G N 6.240 114.787 108.800 -0.422 0.000 2.332 132 G HA2 0.416 4.376 3.960 0.000 0.000 0.310 132 G HA3 0.416 4.376 3.960 0.000 0.000 0.310 132 G C -1.446 173.284 174.900 -0.283 0.000 1.123 132 G CA -0.764 44.165 45.100 -0.284 0.000 0.873 132 G HN 0.604 nan 8.290 nan 0.000 0.460 133 K N 2.291 122.620 120.400 -0.119 0.000 2.507 133 K HA 0.356 4.676 4.320 0.000 0.000 0.251 133 K C -1.072 175.493 176.600 -0.058 0.000 0.943 133 K CA -0.775 55.491 56.287 -0.036 0.000 0.794 133 K CB 1.456 34.025 32.500 0.115 0.000 1.188 133 K HN 0.293 nan 8.250 nan 0.000 0.428 134 F N 4.373 124.315 119.950 -0.014 0.000 2.572 134 F HA 0.062 4.589 4.527 0.000 0.000 0.370 134 F C 1.571 177.363 175.800 -0.013 0.000 1.103 134 F CA 0.174 58.141 58.000 -0.055 0.000 1.286 134 F CB 0.463 39.386 39.000 -0.128 0.000 1.105 134 F HN 0.495 nan 8.300 nan 0.000 0.583 135 I N -0.456 120.247 120.570 0.221 0.000 4.312 135 I HA 0.626 4.796 4.170 0.000 0.000 0.324 135 I C 0.735 176.917 176.117 0.108 0.000 1.298 135 I CA 0.141 61.523 61.300 0.136 0.000 1.231 135 I CB 0.318 38.383 38.000 0.108 0.000 1.152 135 I HN 0.519 nan 8.210 nan 0.000 0.421 136 G N 1.270 110.143 108.800 0.120 0.000 2.356 136 G HA2 0.373 4.333 3.960 0.000 0.000 0.294 136 G HA3 0.373 4.333 3.960 0.000 0.000 0.294 136 G C -3.288 171.668 174.900 0.094 0.000 1.423 136 G CA -0.890 44.259 45.100 0.081 0.000 0.806 136 G HN -0.212 nan 8.290 nan 0.000 0.527 137 P HA 0.050 nan 4.420 nan 0.000 0.261 137 P C 0.237 177.695 177.300 0.265 0.000 1.173 137 P CA 0.879 64.092 63.100 0.189 0.000 0.760 137 P CB -0.123 31.683 31.700 0.177 0.000 0.783 138 H N -1.033 118.042 119.070 0.009 0.000 3.010 138 H HA -0.192 4.364 4.556 0.001 0.000 0.272 138 H C -0.113 175.386 175.328 0.286 0.000 1.151 138 H CA 1.110 57.208 56.048 0.082 0.000 1.159 138 H CB -1.131 28.512 29.762 -0.198 0.000 1.295 138 H HN 0.525 nan 8.280 nan 0.000 0.344 139 K N 0.624 121.221 120.400 0.329 0.000 2.426 139 K HA 0.650 4.970 4.320 0.000 0.000 0.254 139 K C -0.628 176.163 176.600 0.318 0.000 0.936 139 K CA -0.441 56.044 56.287 0.330 0.000 0.801 139 K CB 2.616 35.254 32.500 0.230 0.000 1.139 139 K HN 0.095 nan 8.250 nan 0.000 0.424 140 I N 2.881 123.655 120.570 0.340 0.000 2.689 140 I HA 0.405 4.575 4.170 0.000 0.000 0.299 140 I C -1.166 175.068 176.117 0.195 0.000 1.059 140 I CA -1.006 60.421 61.300 0.212 0.000 1.055 140 I CB 1.751 39.865 38.000 0.190 0.000 1.243 140 I HN 0.609 nan 8.210 nan 0.000 0.425 141 M N 6.469 126.140 119.600 0.118 0.000 2.238 141 M HA 0.547 5.027 4.480 0.000 0.000 0.350 141 M C -0.874 175.487 176.300 0.101 0.000 1.138 141 M CA -0.585 54.780 55.300 0.109 0.000 1.040 141 M CB 1.479 34.123 32.600 0.073 0.000 1.639 141 M HN 0.698 nan 8.290 nan 0.000 0.451 142 A N 3.909 126.816 122.820 0.145 0.000 2.412 142 A HA 0.467 4.788 4.320 0.000 0.000 0.334 142 A C -0.312 177.307 177.584 0.058 0.000 1.419 142 A CA -0.498 51.610 52.037 0.118 0.000 0.930 142 A CB -0.108 19.035 19.000 0.239 0.000 1.149 142 A HN 0.768 nan 8.150 nan 0.000 0.515 143 T N 3.818 118.373 114.554 0.003 0.000 2.776 143 T HA 0.167 4.517 4.350 0.000 0.000 0.292 143 T C 0.846 175.466 174.700 -0.133 0.000 0.921 143 T CA -0.345 61.717 62.100 -0.063 0.000 1.038 143 T CB -0.411 68.394 68.868 -0.106 0.000 0.910 143 T HN 0.870 nan 8.240 nan 0.000 0.536 144 N N 3.247 121.912 118.700 -0.058 0.000 2.294 144 N HA 0.008 4.748 4.740 0.000 0.000 0.248 144 N C 1.251 176.753 175.510 -0.013 0.000 1.300 144 N CA -0.497 52.542 53.050 -0.018 0.000 0.925 144 N CB 0.201 38.706 38.487 0.030 0.000 1.188 144 N HN 0.510 nan 8.380 nan 0.000 0.512 145 N N -0.030 118.768 118.700 0.163 0.000 2.149 145 N HA -0.193 4.548 4.740 0.000 0.000 0.188 145 N C 0.915 176.505 175.510 0.133 0.000 1.019 145 N CA 1.138 54.373 53.050 0.307 0.000 0.857 145 N CB 0.001 38.661 38.487 0.288 0.000 0.997 145 N HN 0.549 nan 8.380 nan 0.000 0.426 146 K N -0.901 119.540 120.400 0.069 0.000 2.314 146 K HA 0.043 4.364 4.320 0.000 0.000 0.198 146 K C 0.906 177.512 176.600 0.010 0.000 1.045 146 K CA 0.740 57.049 56.287 0.038 0.000 0.988 146 K CB 0.358 32.877 32.500 0.032 0.000 0.783 146 K HN 0.486 nan 8.250 nan 0.000 0.484 147 G N 1.050 109.845 108.800 -0.010 0.000 2.421 147 G HA2 -0.154 3.806 3.960 0.000 0.000 0.188 147 G HA3 -0.154 3.806 3.960 0.000 0.000 0.188 147 G C -0.442 174.442 174.900 -0.025 0.000 1.001 147 G CA -0.623 44.459 45.100 -0.031 0.000 0.693 147 G HN 0.016 nan 8.290 nan 0.000 0.479 148 K N 1.694 122.088 120.400 -0.010 0.000 2.355 148 K HA 0.429 4.749 4.320 0.000 0.000 0.270 148 K C 0.028 176.625 176.600 -0.005 0.000 1.003 148 K CA 0.340 56.624 56.287 -0.005 0.000 0.957 148 K CB 0.920 33.423 32.500 0.004 0.000 0.939 148 K HN 0.642 nan 8.250 nan 0.000 0.482 149 E N 1.247 121.445 120.200 -0.004 0.000 2.256 149 E HA 0.421 4.771 4.350 0.000 0.000 0.267 149 E C -0.861 175.737 176.600 -0.004 0.000 0.892 149 E CA -0.955 55.447 56.400 0.004 0.000 0.775 149 E CB 2.545 32.245 29.700 0.001 0.000 1.207 149 E HN 0.343 nan 8.360 nan 0.000 0.420 150 K N 1.038 121.441 120.400 0.004 0.000 2.385 150 K HA 0.522 4.842 4.320 0.000 0.000 0.248 150 K C -1.563 174.964 176.600 -0.121 0.000 0.955 150 K CA -0.756 55.467 56.287 -0.106 0.000 0.816 150 K CB 1.940 34.327 32.500 -0.188 0.000 1.250 150 K HN 0.285 nan 8.250 nan 0.000 0.434 151 V N 4.219 124.008 119.914 -0.208 0.000 2.417 151 V HA 0.421 4.542 4.120 0.000 0.000 0.291 151 V C -1.225 174.774 176.094 -0.159 0.000 1.024 151 V CA -0.567 61.688 62.300 -0.075 0.000 0.861 151 V CB 0.804 32.630 31.823 0.005 0.000 0.985 151 V HN 0.649 nan 8.190 nan 0.000 0.436 152 Y N 2.035 122.432 120.300 0.163 0.000 2.549 152 Y HA 0.715 5.266 4.550 0.001 0.000 0.339 152 Y C 0.551 176.621 175.900 0.282 0.000 1.053 152 Y CA -0.655 57.581 58.100 0.227 0.000 1.105 152 Y CB 2.306 40.914 38.460 0.245 0.000 1.258 152 Y HN 0.645 nan 8.280 nan 0.000 0.478 153 S N 0.773 116.765 115.700 0.486 0.000 2.599 153 S HA 0.987 5.457 4.470 0.000 0.000 0.294 153 S C -1.106 173.717 174.600 0.371 0.000 1.094 153 S CA -0.542 57.925 58.200 0.446 0.000 0.931 153 S CB 2.091 65.554 63.200 0.438 0.000 1.093 153 S HN 1.138 nan 8.310 nan 0.000 0.488 154 A N 0.664 123.591 122.820 0.178 0.000 2.589 154 A HA 0.635 4.956 4.320 0.000 0.000 0.296 154 A C 0.341 177.702 177.584 -0.372 0.000 1.062 154 A CA -0.467 51.531 52.037 -0.066 0.000 0.686 154 A CB 1.113 19.889 19.000 -0.373 0.000 1.282 154 A HN 0.950 nan 8.150 nan 0.000 0.404 155 E N 0.292 120.327 120.200 -0.275 0.000 2.072 155 E HA -0.069 4.282 4.350 0.000 0.000 0.191 155 E C 0.431 177.058 176.600 0.045 0.000 0.985 155 E CA 0.976 57.291 56.400 -0.142 0.000 0.801 155 E CB 0.133 29.994 29.700 0.268 0.000 0.750 155 E HN 0.556 nan 8.360 nan 0.000 0.452 156 R N -1.089 119.491 120.500 0.133 0.000 2.837 156 R HA 0.448 4.789 4.340 0.000 0.000 0.271 156 R C -1.406 175.011 176.300 0.195 0.000 0.993 156 R CA -0.682 55.601 56.100 0.305 0.000 0.931 156 R CB 1.430 31.938 30.300 0.345 0.000 1.206 156 R HN -0.103 nan 8.270 nan 0.000 0.474 157 F N 1.079 121.170 119.950 0.235 0.000 2.565 157 F HA 0.421 4.948 4.527 0.000 0.000 0.313 157 F C -0.811 175.116 175.800 0.211 0.000 1.091 157 F CA -0.904 57.216 58.000 0.199 0.000 0.915 157 F CB 1.799 40.969 39.000 0.284 0.000 1.208 157 F HN 0.134 nan 8.300 nan 0.000 0.453 158 L N 4.922 126.316 121.223 0.286 0.000 2.319 158 L HA 0.603 4.943 4.340 0.000 0.000 0.281 158 L C -0.876 176.101 176.870 0.178 0.000 1.005 158 L CA -0.560 54.415 54.840 0.226 0.000 0.828 158 L CB 0.896 43.031 42.059 0.127 0.000 1.227 158 L HN 0.428 nan 8.230 nan 0.000 0.415 159 I N 5.497 126.173 120.570 0.177 0.000 2.337 159 I HA 0.508 4.678 4.170 0.000 0.000 0.291 159 I C 0.421 176.584 176.117 0.077 0.000 1.046 159 I CA -0.103 61.266 61.300 0.115 0.000 1.324 159 I CB 1.205 39.279 38.000 0.123 0.000 1.409 159 I HN 0.810 nan 8.210 nan 0.000 0.494 160 A N 3.742 126.586 122.820 0.040 0.000 3.415 160 A HA 0.314 4.635 4.320 0.000 0.000 0.244 160 A C 0.659 178.252 177.584 0.015 0.000 0.988 160 A CA -0.378 51.678 52.037 0.032 0.000 0.991 160 A CB -0.212 18.801 19.000 0.023 0.000 1.240 160 A HN 0.744 nan 8.150 nan 0.000 0.541 161 T N -3.033 111.533 114.554 0.020 0.000 3.022 161 T HA 0.468 4.818 4.350 0.000 0.000 0.250 161 T C 1.340 176.068 174.700 0.047 0.000 1.060 161 T CA 0.998 63.106 62.100 0.013 0.000 1.013 161 T CB -0.060 68.802 68.868 -0.010 0.000 0.982 161 T HN 2.087 nan 8.240 nan 0.000 0.508 162 G N 1.561 110.396 108.800 0.057 0.000 2.601 162 G HA2 -0.158 3.802 3.960 0.000 0.000 0.261 162 G HA3 -0.158 3.802 3.960 0.000 0.000 0.261 162 G C -0.657 174.296 174.900 0.089 0.000 1.289 162 G CA 0.081 45.227 45.100 0.076 0.000 0.920 162 G HN 0.692 nan 8.290 nan 0.000 0.571 163 E N -0.584 119.678 120.200 0.104 0.000 2.440 163 E HA 0.816 5.166 4.350 0.000 0.000 0.263 163 E C -0.257 176.421 176.600 0.130 0.000 0.938 163 E CA -1.176 55.288 56.400 0.107 0.000 0.831 163 E CB 1.592 31.350 29.700 0.095 0.000 1.456 163 E HN 0.511 nan 8.360 nan 0.000 0.427 164 R N 0.135 120.711 120.500 0.127 0.000 2.739 164 R HA 0.425 4.766 4.340 0.000 0.000 0.271 164 R C -2.846 173.521 176.300 0.111 0.000 1.010 164 R CA -2.377 53.812 56.100 0.147 0.000 0.897 164 R CB 0.887 31.290 30.300 0.172 0.000 1.236 164 R HN 0.320 nan 8.270 nan 0.000 0.466 165 P HA 0.118 nan 4.420 nan 0.000 0.268 165 P C -0.362 176.943 177.300 0.009 0.000 1.204 165 P CA -0.045 63.059 63.100 0.007 0.000 0.768 165 P CB 0.601 32.266 31.700 -0.057 0.000 0.842 166 R N 3.097 123.586 120.500 -0.019 0.000 2.410 166 R HA 0.323 4.663 4.340 0.000 0.000 0.288 166 R C -0.445 175.825 176.300 -0.050 0.000 1.051 166 R CA -0.367 55.757 56.100 0.039 0.000 1.021 166 R CB 0.294 30.619 30.300 0.041 0.000 1.032 166 R HN 0.385 nan 8.270 nan 0.000 0.481 167 Y N 2.063 122.377 120.300 0.023 0.000 2.480 167 Y HA 0.292 4.842 4.550 0.001 0.000 0.323 167 Y C 0.465 176.375 175.900 0.017 0.000 1.267 167 Y CA -0.517 57.594 58.100 0.018 0.000 1.336 167 Y CB 0.865 39.335 38.460 0.016 0.000 1.361 167 Y HN 0.338 nan 8.280 nan 0.000 0.518 168 L N 0.454 121.792 121.223 0.192 0.000 2.418 168 L HA 0.321 4.661 4.340 0.000 0.000 0.265 168 L C 1.293 178.232 176.870 0.114 0.000 1.143 168 L CA -0.346 54.563 54.840 0.115 0.000 0.809 168 L CB 0.598 42.712 42.059 0.091 0.000 1.124 168 L HN 0.911 nan 8.230 nan 0.000 0.456 169 G N 2.801 111.647 108.800 0.076 0.000 3.262 169 G HA2 0.142 4.102 3.960 0.000 0.000 0.222 169 G HA3 0.142 4.102 3.960 0.000 0.000 0.222 169 G C 0.269 175.198 174.900 0.049 0.000 1.269 169 G CA -0.048 45.086 45.100 0.057 0.000 1.032 169 G HN 0.552 nan 8.290 nan 0.000 0.502 170 I N -3.080 117.527 120.570 0.062 0.000 2.982 170 I HA 0.751 4.921 4.170 0.000 0.000 0.312 170 I C -2.583 173.566 176.117 0.053 0.000 1.041 170 I CA -3.257 58.077 61.300 0.057 0.000 1.053 170 I CB 2.584 40.624 38.000 0.067 0.000 1.248 170 I HN -0.237 nan 8.210 nan 0.000 0.471 171 P HA 0.353 nan 4.420 nan 0.000 0.288 171 P C 0.349 177.698 177.300 0.081 0.000 1.267 171 P CA 0.297 63.424 63.100 0.046 0.000 0.815 171 P CB 1.650 33.377 31.700 0.045 0.000 0.989 172 G N 3.409 112.244 108.800 0.058 0.000 2.279 172 G HA2 -0.271 3.689 3.960 0.000 0.000 0.223 172 G HA3 -0.271 3.689 3.960 0.000 0.000 0.223 172 G C 0.841 175.794 174.900 0.088 0.000 1.015 172 G CA 0.598 45.782 45.100 0.140 0.000 0.621 172 G HN 0.587 nan 8.290 nan 0.000 0.506 173 D N 1.170 121.628 120.400 0.096 0.000 2.123 173 D HA -0.070 4.570 4.640 0.000 0.000 0.196 173 D C 1.952 178.344 176.300 0.154 0.000 0.992 173 D CA 1.781 55.879 54.000 0.165 0.000 0.833 173 D CB -0.472 40.455 40.800 0.212 0.000 0.954 173 D HN 0.509 nan 8.370 nan 0.000 0.455 174 K N 0.011 120.355 120.400 -0.094 0.000 2.116 174 K HA -0.052 4.268 4.320 0.000 0.000 0.203 174 K C 2.088 178.578 176.600 -0.184 0.000 1.052 174 K CA 1.223 57.318 56.287 -0.320 0.000 0.952 174 K CB 0.072 32.263 32.500 -0.514 0.000 0.729 174 K HN 0.411 nan 8.250 nan 0.000 0.446 175 E N -0.391 119.638 120.200 -0.286 0.000 2.318 175 E HA -0.104 4.246 4.350 0.000 0.000 0.193 175 E C 0.899 177.269 176.600 -0.383 0.000 0.998 175 E CA 0.948 57.095 56.400 -0.422 0.000 0.859 175 E CB 0.026 29.319 29.700 -0.678 0.000 0.812 175 E HN 0.362 nan 8.360 nan 0.000 0.492 176 Y N 0.407 120.744 120.300 0.062 0.000 2.444 176 Y HA 0.283 4.833 4.550 0.000 0.000 0.252 176 Y C 1.196 177.148 175.900 0.086 0.000 1.091 176 Y CA -1.202 56.938 58.100 0.068 0.000 1.276 176 Y CB 0.202 38.693 38.460 0.052 0.000 1.170 176 Y HN -0.010 nan 8.280 nan 0.000 0.517 177 C N 1.477 120.915 119.300 0.230 0.000 2.345 177 C HA 0.729 5.189 4.460 0.000 0.000 0.370 177 C C 0.425 175.509 174.990 0.157 0.000 1.209 177 C CA -1.167 57.954 59.018 0.172 0.000 2.133 177 C CB 0.782 28.613 27.740 0.152 0.000 2.293 177 C HN 0.312 nan 8.230 nan 0.000 0.544 178 I N 0.257 120.867 120.570 0.066 0.000 2.693 178 I HA 0.786 4.957 4.170 0.000 0.000 0.303 178 I C 0.103 176.179 176.117 -0.069 0.000 1.025 178 I CA -0.082 61.235 61.300 0.029 0.000 1.086 178 I CB 1.813 39.810 38.000 -0.004 0.000 1.268 178 I HN 0.700 nan 8.210 nan 0.000 0.440 179 S N 1.832 117.484 115.700 -0.081 0.000 2.748 179 S HA 0.339 4.810 4.470 0.000 0.000 0.299 179 S C 1.221 175.742 174.600 -0.131 0.000 1.119 179 S CA 0.008 58.117 58.200 -0.151 0.000 0.997 179 S CB 1.108 64.209 63.200 -0.165 0.000 1.223 179 S HN 0.932 nan 8.310 nan 0.000 0.541 180 S N 0.601 116.231 115.700 -0.118 0.000 2.374 180 S HA -0.228 4.242 4.470 0.000 0.000 0.227 180 S C 1.161 175.699 174.600 -0.104 0.000 1.037 180 S CA 1.886 60.009 58.200 -0.129 0.000 1.024 180 S CB -1.302 61.917 63.200 0.032 0.000 0.861 180 S HN 0.687 nan 8.310 nan 0.000 0.456 181 D N 1.730 122.139 120.400 0.015 0.000 2.228 181 D HA -0.067 4.573 4.640 0.000 0.000 0.203 181 D C 1.503 177.860 176.300 0.095 0.000 0.988 181 D CA 1.347 55.393 54.000 0.076 0.000 0.864 181 D CB -0.311 40.671 40.800 0.304 0.000 0.928 181 D HN 0.606 nan 8.370 nan 0.000 0.469 182 D N -0.678 119.750 120.400 0.046 0.000 2.394 182 D HA -0.024 4.616 4.640 0.000 0.000 0.226 182 D C 2.169 178.464 176.300 -0.008 0.000 0.990 182 D CA -0.151 53.889 54.000 0.066 0.000 0.902 182 D CB -0.039 40.803 40.800 0.071 0.000 1.038 182 D HN 0.090 nan 8.370 nan 0.000 0.499 183 L N 0.943 122.077 121.223 -0.149 0.000 2.021 183 L HA -0.198 4.143 4.340 0.000 0.000 0.215 183 L C 1.681 178.548 176.870 -0.004 0.000 1.074 183 L CA 1.710 56.445 54.840 -0.175 0.000 0.760 183 L CB -0.762 41.048 42.059 -0.415 0.000 0.889 183 L HN -0.127 nan 8.230 nan 0.000 0.433 184 F N -0.641 119.394 119.950 0.143 0.000 2.771 184 F HA 0.050 4.577 4.527 0.000 0.000 0.299 184 F C 2.019 177.842 175.800 0.038 0.000 1.177 184 F CA 0.678 58.718 58.000 0.067 0.000 1.450 184 F CB -0.883 38.089 39.000 -0.046 0.000 1.114 184 F HN 0.369 nan 8.300 nan 0.000 0.587 185 S N -1.547 114.280 115.700 0.212 0.000 2.937 185 S HA 0.246 4.716 4.470 0.000 0.000 0.252 185 S C 0.042 174.742 174.600 0.168 0.000 1.022 185 S CA -0.462 57.839 58.200 0.167 0.000 1.079 185 S CB -0.548 62.743 63.200 0.152 0.000 1.035 185 S HN 0.010 nan 8.310 nan 0.000 0.594 186 L N 3.667 125.009 121.223 0.198 0.000 2.700 186 L HA 0.233 4.573 4.340 0.000 0.000 0.276 186 L C -1.914 174.992 176.870 0.061 0.000 1.200 186 L CA -0.980 53.856 54.840 -0.006 0.000 0.951 186 L CB 0.349 42.302 42.059 -0.177 0.000 1.226 186 L HN 0.056 nan 8.230 nan 0.000 0.489 187 P HA 0.007 nan 4.420 nan 0.000 0.242 187 P C -1.575 175.853 177.300 0.213 0.000 1.197 187 P CA 0.658 63.837 63.100 0.132 0.000 0.765 187 P CB -0.158 31.664 31.700 0.203 0.000 0.936 188 Y N -4.756 115.635 120.300 0.152 0.000 2.571 188 Y HA 0.460 5.010 4.550 0.000 0.000 0.341 188 Y C -0.361 175.376 175.900 -0.272 0.000 1.076 188 Y CA -2.307 55.818 58.100 0.041 0.000 1.029 188 Y CB 0.021 38.480 38.460 -0.002 0.000 1.308 188 Y HN -0.318 nan 8.280 nan 0.000 0.461 189 C N 4.538 123.775 119.300 -0.104 0.000 2.523 189 C HA 0.136 4.596 4.460 0.000 0.000 0.406 189 C C -1.054 173.722 174.990 -0.357 0.000 1.449 189 C CA -0.746 58.034 59.018 -0.398 0.000 1.588 189 C CB -0.154 27.587 27.740 0.001 0.000 2.514 189 C HN 0.797 nan 8.230 nan 0.000 0.606 190 P HA 0.138 nan 4.420 nan 0.000 0.222 190 P C 1.053 178.275 177.300 -0.130 0.000 1.147 190 P CA 1.937 64.814 63.100 -0.371 0.000 0.790 190 P CB -0.212 31.173 31.700 -0.524 0.000 0.780 191 G N -0.091 108.643 108.800 -0.110 0.000 2.641 191 G HA2 -0.325 3.635 3.960 0.000 0.000 0.254 191 G HA3 -0.325 3.635 3.960 0.000 0.000 0.254 191 G C -0.299 174.590 174.900 -0.019 0.000 1.315 191 G CA -0.376 44.704 45.100 -0.032 0.000 0.907 191 G HN 0.435 nan 8.290 nan 0.000 0.572 192 K N 0.382 120.795 120.400 0.021 0.000 2.504 192 K HA 0.273 4.593 4.320 0.000 0.000 0.278 192 K C -0.181 176.477 176.600 0.097 0.000 1.025 192 K CA 1.366 57.696 56.287 0.071 0.000 1.093 192 K CB -0.315 32.247 32.500 0.102 0.000 0.873 192 K HN 0.582 nan 8.250 nan 0.000 0.483 193 T N 4.458 119.029 114.554 0.029 0.000 2.900 193 T HA 0.350 4.701 4.350 0.000 0.000 0.295 193 T C -1.221 173.244 174.700 -0.393 0.000 1.044 193 T CA -0.762 61.258 62.100 -0.135 0.000 0.995 193 T CB 1.264 70.026 68.868 -0.177 0.000 1.072 193 T HN 0.514 nan 8.240 nan 0.000 0.473 194 L N 3.553 124.328 121.223 -0.746 0.000 2.287 194 L HA 0.736 5.076 4.340 0.000 0.000 0.287 194 L C -1.077 175.503 176.870 -0.484 0.000 1.022 194 L CA -0.457 53.837 54.840 -0.910 0.000 0.814 194 L CB 1.052 42.183 42.059 -1.547 0.000 1.217 194 L HN 0.443 nan 8.230 nan 0.000 0.420 195 V N 5.917 125.604 119.914 -0.379 0.000 2.394 195 V HA 0.435 4.555 4.120 0.000 0.000 0.282 195 V C -0.226 175.734 176.094 -0.223 0.000 1.031 195 V CA -0.657 61.479 62.300 -0.273 0.000 0.881 195 V CB 1.575 33.247 31.823 -0.251 0.000 0.982 195 V HN 0.523 nan 8.190 nan 0.000 0.451 196 V N 4.566 124.379 119.914 -0.169 0.000 2.347 196 V HA 0.948 5.068 4.120 0.000 0.000 0.280 196 V C 0.563 176.610 176.094 -0.078 0.000 1.021 196 V CA 0.526 62.761 62.300 -0.109 0.000 0.847 196 V CB 0.725 32.497 31.823 -0.085 0.000 0.990 196 V HN 1.294 nan 8.190 nan 0.000 0.444 197 G N 3.965 112.740 108.800 -0.042 0.000 2.406 197 G HA2 0.493 4.453 3.960 0.000 0.000 0.680 197 G HA3 0.493 4.453 3.960 0.000 0.000 0.680 197 G C -0.447 174.459 174.900 0.011 0.000 1.338 197 G CA -0.032 45.058 45.100 -0.017 0.000 0.941 197 G HN 1.534 nan 8.290 nan 0.000 0.633 198 A N -0.075 122.771 122.820 0.043 0.000 2.709 198 A HA 0.830 5.150 4.320 0.000 0.000 0.241 198 A C 0.425 178.074 177.584 0.109 0.000 0.879 198 A CA 1.300 53.392 52.037 0.092 0.000 1.120 198 A CB 0.292 19.372 19.000 0.133 0.000 1.226 198 A HN 1.695 nan 8.150 nan 0.000 0.468 199 S N -1.578 114.167 115.700 0.076 0.000 2.721 199 S HA 0.538 5.009 4.470 0.000 0.000 0.296 199 S C 1.401 176.064 174.600 0.106 0.000 1.093 199 S CA 0.136 58.413 58.200 0.127 0.000 0.959 199 S CB 0.225 63.491 63.200 0.111 0.000 1.301 199 S HN 0.772 nan 8.310 nan 0.000 0.550 200 Y N 0.577 120.964 120.300 0.145 0.000 2.053 200 Y HA -0.128 4.422 4.550 0.000 0.000 0.277 200 Y C 1.946 177.910 175.900 0.105 0.000 1.159 200 Y CA 1.997 60.151 58.100 0.089 0.000 1.125 200 Y CB -1.641 36.871 38.460 0.088 0.000 0.969 200 Y HN 0.188 nan 8.280 nan 0.000 0.492 201 V N 1.429 121.251 119.914 -0.153 0.000 2.287 201 V HA -0.351 3.769 4.120 0.000 0.000 0.248 201 V C 2.923 179.021 176.094 0.007 0.000 1.053 201 V CA 2.065 64.355 62.300 -0.018 0.000 1.027 201 V CB -1.711 30.039 31.823 -0.121 0.000 0.646 201 V HN 0.695 nan 8.190 nan 0.000 0.447 202 A N 0.014 122.812 122.820 -0.037 0.000 1.845 202 A HA -0.161 4.159 4.320 0.000 0.000 0.215 202 A C 2.234 179.800 177.584 -0.030 0.000 1.195 202 A CA 2.085 54.094 52.037 -0.047 0.000 0.616 202 A CB -0.616 18.363 19.000 -0.036 0.000 0.832 202 A HN 0.493 nan 8.150 nan 0.000 0.443 203 L N -0.985 120.260 121.223 0.036 0.000 2.027 203 L HA -0.178 4.163 4.340 0.000 0.000 0.206 203 L C 2.626 179.532 176.870 0.060 0.000 1.074 203 L CA 1.535 56.414 54.840 0.065 0.000 0.745 203 L CB -0.750 41.385 42.059 0.126 0.000 0.898 203 L HN 0.469 nan 8.230 nan 0.000 0.433 204 E N -0.349 119.917 120.200 0.109 0.000 2.065 204 E HA -0.289 4.062 4.350 0.000 0.000 0.201 204 E C 2.330 178.987 176.600 0.096 0.000 1.016 204 E CA 1.981 58.482 56.400 0.168 0.000 0.818 204 E CB -0.258 29.611 29.700 0.282 0.000 0.749 204 E HN 0.533 nan 8.360 nan 0.000 0.453 205 C N 0.355 119.626 119.300 -0.048 0.000 2.432 205 C HA -0.110 4.350 4.460 0.000 0.000 0.277 205 C C 2.921 177.516 174.990 -0.658 0.000 1.249 205 C CA 0.785 59.482 59.018 -0.535 0.000 1.725 205 C CB -1.037 26.525 27.740 -0.297 0.000 2.028 205 C HN 0.555 nan 8.230 nan 0.000 0.477 206 A N 0.785 123.411 122.820 -0.324 0.000 1.917 206 A HA -0.042 4.278 4.320 0.000 0.000 0.219 206 A C 2.374 179.838 177.584 -0.200 0.000 1.182 206 A CA 2.331 54.208 52.037 -0.266 0.000 0.633 206 A CB -1.327 17.546 19.000 -0.212 0.000 0.819 206 A HN 0.578 nan 8.150 nan 0.000 0.448 207 G N -0.161 108.579 108.800 -0.101 0.000 2.459 207 G HA2 -0.202 3.759 3.960 0.000 0.000 0.217 207 G HA3 -0.202 3.759 3.960 0.000 0.000 0.217 207 G C 1.399 176.354 174.900 0.092 0.000 1.183 207 G CA 1.366 46.487 45.100 0.036 0.000 0.776 207 G HN 0.838 nan 8.290 nan 0.000 0.552 208 F N 0.627 120.659 119.950 0.137 0.000 2.325 208 F HA 0.287 4.815 4.527 0.000 0.000 0.299 208 F C 2.156 178.024 175.800 0.113 0.000 1.090 208 F CA 0.296 58.386 58.000 0.150 0.000 1.392 208 F CB -0.604 38.510 39.000 0.190 0.000 1.053 208 F HN 0.055 nan 8.300 nan 0.000 0.521 209 L N 0.934 122.022 121.223 -0.226 0.000 2.017 209 L HA -0.131 4.209 4.340 0.000 0.000 0.208 209 L C 2.998 179.878 176.870 0.017 0.000 1.073 209 L CA 1.361 56.169 54.840 -0.054 0.000 0.745 209 L CB -1.140 40.780 42.059 -0.232 0.000 0.894 209 L HN 0.340 nan 8.230 nan 0.000 0.432 210 A N 0.201 123.007 122.820 -0.023 0.000 1.877 210 A HA -0.137 4.183 4.320 0.000 0.000 0.216 210 A C 2.405 180.018 177.584 0.048 0.000 1.186 210 A CA 1.697 53.739 52.037 0.009 0.000 0.620 210 A CB -1.391 17.609 19.000 -0.000 0.000 0.822 210 A HN 0.449 nan 8.150 nan 0.000 0.443 211 G N 0.819 109.667 108.800 0.081 0.000 2.469 211 G HA2 -0.212 3.749 3.960 0.000 0.000 0.220 211 G HA3 -0.212 3.749 3.960 0.000 0.000 0.220 211 G C 1.343 176.266 174.900 0.039 0.000 1.136 211 G CA 1.268 46.420 45.100 0.087 0.000 0.759 211 G HN 0.941 nan 8.290 nan 0.000 0.562 212 I N -2.909 117.675 120.570 0.023 0.000 3.735 212 I HA 0.527 4.697 4.170 0.000 0.000 0.310 212 I C 1.438 177.561 176.117 0.009 0.000 1.270 212 I CA 0.476 61.705 61.300 -0.118 0.000 1.207 212 I CB 0.136 37.905 38.000 -0.386 0.000 1.013 212 I HN 0.190 nan 8.210 nan 0.000 0.452 213 G N 1.223 110.053 108.800 0.050 0.000 2.184 213 G HA2 -0.153 3.807 3.960 0.000 0.000 0.206 213 G HA3 -0.153 3.807 3.960 0.000 0.000 0.206 213 G C 0.016 174.954 174.900 0.064 0.000 0.995 213 G CA -0.224 44.916 45.100 0.067 0.000 0.651 213 G HN 0.318 nan 8.290 nan 0.000 0.511 214 L N 0.967 122.224 121.223 0.057 0.000 2.439 214 L HA 0.448 4.789 4.340 0.000 0.000 0.261 214 L C 0.335 177.212 176.870 0.011 0.000 1.153 214 L CA -0.788 54.072 54.840 0.034 0.000 0.808 214 L CB 0.696 42.765 42.059 0.017 0.000 1.126 214 L HN 0.088 nan 8.230 nan 0.000 0.460 215 D N 1.891 122.298 120.400 0.010 0.000 2.374 215 D HA 0.212 4.852 4.640 0.000 0.000 0.240 215 D C -1.044 175.255 176.300 -0.001 0.000 1.229 215 D CA -0.061 53.945 54.000 0.011 0.000 0.895 215 D CB 0.849 41.664 40.800 0.025 0.000 1.046 215 D HN 0.068 nan 8.370 nan 0.000 0.498 216 V N 3.493 123.383 119.914 -0.039 0.000 2.495 216 V HA 0.407 4.527 4.120 0.000 0.000 0.298 216 V C 0.336 176.342 176.094 -0.147 0.000 1.031 216 V CA -0.601 61.636 62.300 -0.105 0.000 0.871 216 V CB 2.138 33.877 31.823 -0.140 0.000 0.988 216 V HN 0.467 nan 8.190 nan 0.000 0.432 217 T N 3.690 118.119 114.554 -0.207 0.000 2.848 217 T HA 0.580 4.930 4.350 0.000 0.000 0.285 217 T C -0.602 173.872 174.700 -0.377 0.000 0.995 217 T CA -0.450 61.496 62.100 -0.256 0.000 0.970 217 T CB 1.829 70.635 68.868 -0.104 0.000 0.976 217 T HN 0.319 nan 8.240 nan 0.000 0.441 218 V N 4.116 123.729 119.914 -0.503 0.000 2.370 218 V HA 0.450 4.570 4.120 0.000 0.000 0.283 218 V C -0.082 175.868 176.094 -0.239 0.000 1.023 218 V CA -0.760 61.268 62.300 -0.453 0.000 0.857 218 V CB 1.522 32.921 31.823 -0.708 0.000 0.985 218 V HN 0.895 nan 8.190 nan 0.000 0.443 219 M N 6.402 125.922 119.600 -0.132 0.000 2.055 219 M HA 0.472 4.952 4.480 0.000 0.000 0.347 219 M C -1.185 175.148 176.300 0.055 0.000 1.123 219 M CA -0.349 54.943 55.300 -0.014 0.000 1.035 219 M CB 0.890 33.474 32.600 -0.026 0.000 1.484 219 M HN 0.452 nan 8.290 nan 0.000 0.428 220 V N 6.234 126.228 119.914 0.132 0.000 2.383 220 V HA 0.272 4.392 4.120 0.000 0.000 0.275 220 V C 0.973 177.145 176.094 0.130 0.000 1.036 220 V CA -0.360 62.026 62.300 0.144 0.000 0.889 220 V CB 1.162 33.103 31.823 0.198 0.000 0.985 220 V HN 0.955 nan 8.190 nan 0.000 0.459 221 R N 3.702 124.259 120.500 0.095 0.000 2.056 221 R HA -0.076 4.264 4.340 0.000 0.000 0.227 221 R C 1.785 178.122 176.300 0.061 0.000 1.149 221 R CA 2.009 58.154 56.100 0.074 0.000 0.937 221 R CB 0.059 30.392 30.300 0.054 0.000 0.835 221 R HN 0.851 nan 8.270 nan 0.000 0.430 222 S N 0.122 115.858 115.700 0.059 0.000 3.290 222 S HA 0.257 4.727 4.470 0.000 0.000 0.176 222 S C 0.861 175.495 174.600 0.057 0.000 0.815 222 S CA -0.310 57.919 58.200 0.049 0.000 1.075 222 S CB -0.480 62.743 63.200 0.038 0.000 0.879 222 S HN 0.338 nan 8.310 nan 0.000 0.795 223 I N 0.594 121.199 120.570 0.057 0.000 2.664 223 I HA 0.568 4.738 4.170 0.000 0.000 0.308 223 I C -0.806 175.361 176.117 0.083 0.000 0.984 223 I CA -1.265 60.071 61.300 0.059 0.000 1.213 223 I CB 0.549 38.582 38.000 0.055 0.000 1.379 223 I HN 0.359 nan 8.210 nan 0.000 0.501 224 L N 4.656 125.926 121.223 0.079 0.000 2.349 224 L HA 0.315 4.655 4.340 0.000 0.000 0.275 224 L C 0.151 177.110 176.870 0.148 0.000 1.115 224 L CA -0.662 54.242 54.840 0.107 0.000 0.820 224 L CB 0.611 42.711 42.059 0.069 0.000 1.135 224 L HN 0.638 nan 8.230 nan 0.000 0.445 225 L N 2.265 123.607 121.223 0.198 0.000 3.677 225 L HA -0.224 4.116 4.340 0.000 0.000 0.464 225 L C 0.833 177.928 176.870 0.374 0.000 1.278 225 L CA 0.163 55.209 54.840 0.342 0.000 0.806 225 L CB -1.254 41.002 42.059 0.329 0.000 1.610 225 L HN 0.714 nan 8.230 nan 0.000 0.867 226 R N 0.911 121.549 120.500 0.230 0.000 2.523 226 R HA 0.193 4.534 4.340 0.000 0.000 0.281 226 R C 1.477 177.852 176.300 0.125 0.000 0.969 226 R CA 1.507 57.699 56.100 0.154 0.000 1.093 226 R CB 0.189 30.549 30.300 0.100 0.000 0.917 226 R HN 0.546 nan 8.270 nan 0.000 0.408 227 G N 3.409 112.247 108.800 0.063 0.000 2.308 227 G HA2 -0.279 3.682 3.960 0.000 0.000 0.221 227 G HA3 -0.279 3.682 3.960 0.000 0.000 0.221 227 G C -0.080 174.746 174.900 -0.123 0.000 1.032 227 G CA -0.064 44.991 45.100 -0.075 0.000 0.623 227 G HN 0.522 nan 8.290 nan 0.000 0.506 228 F N 2.299 122.346 119.950 0.161 0.000 2.371 228 F HA 0.485 5.012 4.527 0.000 0.000 0.329 228 F C 0.880 176.796 175.800 0.193 0.000 1.107 228 F CA -0.405 57.729 58.000 0.223 0.000 1.137 228 F CB 0.663 39.848 39.000 0.308 0.000 1.214 228 F HN 0.026 nan 8.300 nan 0.000 0.536 229 D N 2.456 123.111 120.400 0.424 0.000 2.662 229 D HA -0.128 4.512 4.640 0.000 0.000 0.237 229 D C 0.889 177.263 176.300 0.124 0.000 1.154 229 D CA 0.306 54.431 54.000 0.208 0.000 0.861 229 D CB 0.841 41.697 40.800 0.094 0.000 1.146 229 D HN 0.495 nan 8.370 nan 0.000 0.518 230 Q N 3.074 122.917 119.800 0.071 0.000 2.167 230 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 230 Q C 1.282 177.266 176.000 -0.028 0.000 0.970 230 Q CA 1.042 56.868 55.803 0.039 0.000 0.855 230 Q CB -0.092 28.665 28.738 0.033 0.000 0.911 230 Q HN 0.646 nan 8.270 nan 0.000 0.438 231 D N 0.004 120.365 120.400 -0.065 0.000 2.084 231 D HA -0.137 4.503 4.640 0.000 0.000 0.194 231 D C 1.808 177.995 176.300 -0.190 0.000 0.990 231 D CA 1.099 55.024 54.000 -0.125 0.000 0.826 231 D CB 0.117 40.834 40.800 -0.138 0.000 0.971 231 D HN 0.013 nan 8.370 nan 0.000 0.453 232 M N 0.692 120.157 119.600 -0.224 0.000 2.082 232 M HA -0.139 4.342 4.480 0.000 0.000 0.258 232 M C 2.444 178.561 176.300 -0.305 0.000 1.069 232 M CA 1.538 56.617 55.300 -0.368 0.000 1.102 232 M CB -1.599 30.627 32.600 -0.623 0.000 1.336 232 M HN 0.141 nan 8.290 nan 0.000 0.404 233 A N 0.965 123.692 122.820 -0.155 0.000 1.892 233 A HA -0.212 4.109 4.320 0.000 0.000 0.218 233 A C 2.070 179.605 177.584 -0.082 0.000 1.188 233 A CA 2.050 54.050 52.037 -0.061 0.000 0.631 233 A CB -0.836 18.195 19.000 0.052 0.000 0.822 233 A HN 0.544 nan 8.150 nan 0.000 0.447 234 N N -0.106 118.536 118.700 -0.096 0.000 2.188 234 N HA -0.104 4.636 4.740 0.000 0.000 0.184 234 N C 1.624 177.065 175.510 -0.115 0.000 1.018 234 N CA 1.347 54.333 53.050 -0.107 0.000 0.858 234 N CB -0.319 38.110 38.487 -0.097 0.000 0.989 234 N HN 0.558 nan 8.380 nan 0.000 0.426 235 K N 0.872 121.193 120.400 -0.132 0.000 2.057 235 K HA -0.033 4.287 4.320 0.000 0.000 0.207 235 K C 2.132 178.710 176.600 -0.036 0.000 1.049 235 K CA 0.768 56.995 56.287 -0.100 0.000 0.931 235 K CB -0.195 32.207 32.500 -0.163 0.000 0.714 235 K HN 0.174 nan 8.250 nan 0.000 0.440 236 I N 0.880 121.411 120.570 -0.065 0.000 2.163 236 I HA -0.238 3.932 4.170 0.000 0.000 0.243 236 I C 2.558 178.707 176.117 0.053 0.000 1.085 236 I CA 1.484 62.791 61.300 0.011 0.000 1.347 236 I CB -0.752 37.245 38.000 -0.006 0.000 1.044 236 I HN 0.290 nan 8.210 nan 0.000 0.408 237 G N 0.106 108.874 108.800 -0.053 0.000 2.459 237 G HA2 -0.263 3.697 3.960 0.000 0.000 0.217 237 G HA3 -0.263 3.697 3.960 0.000 0.000 0.217 237 G C 1.531 176.301 174.900 -0.217 0.000 1.183 237 G CA 0.764 45.731 45.100 -0.223 0.000 0.776 237 G HN 0.382 nan 8.290 nan 0.000 0.552 238 E N -0.708 119.415 120.200 -0.128 0.000 2.097 238 E HA -0.210 4.140 4.350 0.000 0.000 0.196 238 E C 2.199 178.820 176.600 0.035 0.000 1.000 238 E CA 0.989 57.347 56.400 -0.070 0.000 0.804 238 E CB -0.257 29.416 29.700 -0.044 0.000 0.740 238 E HN 0.591 nan 8.360 nan 0.000 0.454 239 H N 0.378 119.470 119.070 0.037 0.000 2.321 239 H HA -0.121 4.435 4.556 0.000 0.000 0.300 239 H C 2.117 177.589 175.328 0.240 0.000 1.087 239 H CA 1.678 57.815 56.048 0.149 0.000 1.319 239 H CB -0.054 29.763 29.762 0.092 0.000 1.379 239 H HN 0.169 nan 8.280 nan 0.000 0.501 240 M N 0.363 120.077 119.600 0.189 0.000 2.108 240 M HA -0.178 4.302 4.480 0.000 0.000 0.261 240 M C 2.471 178.907 176.300 0.227 0.000 1.066 240 M CA 1.918 57.354 55.300 0.226 0.000 1.107 240 M CB -0.223 32.607 32.600 0.384 0.000 1.356 240 M HN 0.343 nan 8.290 nan 0.000 0.406 241 E N 0.561 120.880 120.200 0.198 0.000 2.072 241 E HA -0.197 4.154 4.350 0.000 0.000 0.191 241 E C 1.661 178.282 176.600 0.035 0.000 0.985 241 E CA 1.204 57.707 56.400 0.173 0.000 0.801 241 E CB 0.105 29.836 29.700 0.052 0.000 0.750 241 E HN 0.504 nan 8.360 nan 0.000 0.452 242 E N -0.793 119.382 120.200 -0.043 0.000 2.268 242 E HA -0.139 4.211 4.350 0.000 0.000 0.195 242 E C 0.429 176.790 176.600 -0.399 0.000 0.995 242 E CA 0.653 56.931 56.400 -0.203 0.000 0.836 242 E CB 0.025 29.579 29.700 -0.243 0.000 0.763 242 E HN 0.428 nan 8.360 nan 0.000 0.491 243 H N -0.865 118.094 119.070 -0.184 0.000 2.524 243 H HA 0.288 4.844 4.556 0.000 0.000 0.297 243 H C 0.530 175.818 175.328 -0.067 0.000 1.115 243 H CA 0.306 56.257 56.048 -0.161 0.000 1.027 243 H CB 0.697 30.292 29.762 -0.279 0.000 1.591 243 H HN 0.196 nan 8.280 nan 0.000 0.543 244 G N 0.847 109.653 108.800 0.010 0.000 2.182 244 G HA2 -0.273 3.687 3.960 0.000 0.000 0.248 244 G HA3 -0.273 3.687 3.960 0.000 0.000 0.248 244 G C -0.087 174.831 174.900 0.030 0.000 1.042 244 G CA -0.126 44.985 45.100 0.018 0.000 0.775 244 G HN 0.419 nan 8.290 nan 0.000 0.501 245 I N 0.372 120.981 120.570 0.065 0.000 2.377 245 I HA 0.354 4.524 4.170 0.000 0.000 0.293 245 I C 0.517 176.647 176.117 0.021 0.000 0.987 245 I CA -0.759 60.545 61.300 0.006 0.000 1.185 245 I CB 1.428 39.432 38.000 0.007 0.000 1.341 245 I HN -0.047 nan 8.210 nan 0.000 0.455 246 K N 5.990 126.329 120.400 -0.101 0.000 2.172 246 K HA 0.506 4.827 4.320 0.000 0.000 0.276 246 K C -1.262 175.224 176.600 -0.190 0.000 1.013 246 K CA -0.369 55.896 56.287 -0.036 0.000 0.913 246 K CB 1.251 33.736 32.500 -0.025 0.000 1.055 246 K HN 0.275 nan 8.250 nan 0.000 0.461 247 F N 2.396 122.344 119.950 -0.004 0.000 2.467 247 F HA 0.395 4.923 4.527 0.001 0.000 0.336 247 F C 0.158 175.961 175.800 0.005 0.000 1.123 247 F CA -0.748 57.253 58.000 0.001 0.000 0.964 247 F CB 1.176 40.182 39.000 0.010 0.000 1.136 247 F HN 0.261 nan 8.300 nan 0.000 0.447 248 I N 5.529 126.179 120.570 0.134 0.000 2.337 248 I HA 0.323 4.494 4.170 0.000 0.000 0.285 248 I C -0.396 175.848 176.117 0.212 0.000 1.041 248 I CA -0.700 60.655 61.300 0.093 0.000 1.199 248 I CB 0.267 38.236 38.000 -0.051 0.000 1.370 248 I HN 0.376 nan 8.210 nan 0.000 0.470 249 R N 4.815 125.469 120.500 0.256 0.000 2.404 249 R HA 0.348 4.688 4.340 0.000 0.000 0.291 249 R C -0.185 176.298 176.300 0.305 0.000 1.025 249 R CA -0.789 55.459 56.100 0.247 0.000 0.991 249 R CB 0.759 31.158 30.300 0.165 0.000 1.053 249 R HN 0.462 nan 8.270 nan 0.000 0.479 250 Q N 0.650 120.563 119.800 0.189 0.000 2.448 250 Q HA -0.207 4.133 4.340 0.000 0.000 0.356 250 Q C -1.485 174.512 176.000 -0.004 0.000 1.430 250 Q CA 1.067 56.912 55.803 0.070 0.000 1.011 250 Q CB -1.351 27.369 28.738 -0.029 0.000 1.203 250 Q HN 0.464 nan 8.270 nan 0.000 0.351 251 F N -1.362 118.611 119.950 0.038 0.000 2.628 251 F HA 0.647 5.175 4.527 0.000 0.000 0.309 251 F C -0.347 175.470 175.800 0.029 0.000 1.108 251 F CA -0.955 57.066 58.000 0.034 0.000 0.971 251 F CB 1.716 40.739 39.000 0.038 0.000 1.279 251 F HN -0.093 nan 8.300 nan 0.000 0.441 252 V N 4.272 124.305 119.914 0.199 0.000 2.604 252 V HA 0.552 4.672 4.120 0.000 0.000 0.305 252 V C -2.238 173.940 176.094 0.140 0.000 1.043 252 V CA -2.071 60.307 62.300 0.130 0.000 0.888 252 V CB 2.463 34.329 31.823 0.073 0.000 0.995 252 V HN 0.445 nan 8.190 nan 0.000 0.429 253 P HA 0.204 nan 4.420 nan 0.000 0.275 253 P C 0.319 177.672 177.300 0.088 0.000 1.228 253 P CA 0.027 63.187 63.100 0.100 0.000 0.786 253 P CB 1.092 32.838 31.700 0.075 0.000 0.927 254 T N -1.012 113.595 114.554 0.089 0.000 2.999 254 T HA 0.183 4.534 4.350 0.000 0.000 0.247 254 T C 0.447 175.190 174.700 0.072 0.000 1.012 254 T CA 0.156 62.301 62.100 0.074 0.000 1.048 254 T CB 0.036 68.947 68.868 0.072 0.000 1.020 254 T HN 0.587 nan 8.240 nan 0.000 0.478 255 K N 0.307 120.754 120.400 0.079 0.000 2.578 255 K HA 0.660 4.980 4.320 0.000 0.000 0.269 255 K C -2.270 174.387 176.600 0.095 0.000 0.941 255 K CA -1.060 55.276 56.287 0.083 0.000 0.847 255 K CB 1.327 33.869 32.500 0.071 0.000 1.397 255 K HN 0.028 nan 8.250 nan 0.000 0.422 256 I N 1.863 122.505 120.570 0.120 0.000 2.447 256 I HA 0.235 4.406 4.170 0.000 0.000 0.287 256 I C -0.969 175.243 176.117 0.158 0.000 1.023 256 I CA -0.267 61.116 61.300 0.138 0.000 1.083 256 I CB 2.019 40.125 38.000 0.177 0.000 1.245 256 I HN 0.673 nan 8.210 nan 0.000 0.434 257 E N 5.311 125.541 120.200 0.050 0.000 2.234 257 E HA 0.420 4.770 4.350 0.000 0.000 0.266 257 E C -1.034 175.413 176.600 -0.255 0.000 0.877 257 E CA -1.121 55.257 56.400 -0.036 0.000 0.758 257 E CB 1.866 31.564 29.700 -0.003 0.000 1.170 257 E HN 0.491 nan 8.360 nan 0.000 0.415 258 Q N 3.430 122.866 119.800 -0.607 0.000 2.286 258 Q HA 0.119 4.459 4.340 0.000 0.000 0.265 258 Q C -0.050 175.769 176.000 -0.303 0.000 1.080 258 Q CA 0.151 55.547 55.803 -0.679 0.000 0.906 258 Q CB 0.514 28.607 28.738 -1.075 0.000 1.227 258 Q HN 0.784 nan 8.270 nan 0.000 0.409 259 I N 2.697 123.141 120.570 -0.210 0.000 3.603 259 I HA 0.140 4.310 4.170 0.000 0.000 0.297 259 I C 0.564 176.612 176.117 -0.115 0.000 1.269 259 I CA 0.403 61.624 61.300 -0.132 0.000 1.361 259 I CB 0.288 38.225 38.000 -0.104 0.000 1.063 259 I HN 0.697 nan 8.210 nan 0.000 0.448 260 E N -0.383 119.736 120.200 -0.135 0.000 2.454 260 E HA 0.668 5.019 4.350 0.000 0.000 0.279 260 E C -1.434 175.101 176.600 -0.109 0.000 1.029 260 E CA -0.734 55.603 56.400 -0.104 0.000 0.831 260 E CB 2.380 32.030 29.700 -0.085 0.000 1.405 260 E HN 0.044 nan 8.360 nan 0.000 0.463 261 A N 0.214 122.990 122.820 -0.072 0.000 2.294 261 A HA 0.954 5.274 4.320 0.000 0.000 0.330 261 A C -0.140 177.396 177.584 -0.080 0.000 1.133 261 A CA 0.259 52.261 52.037 -0.059 0.000 0.836 261 A CB 1.370 20.357 19.000 -0.021 0.000 1.190 261 A HN 0.650 nan 8.150 nan 0.000 0.492 262 G N -0.950 107.782 108.800 -0.112 0.000 2.328 262 G HA2 0.536 4.496 3.960 0.000 0.000 0.299 262 G HA3 0.536 4.496 3.960 0.000 0.000 0.299 262 G C -0.739 173.971 174.900 -0.316 0.000 1.435 262 G CA 0.134 45.135 45.100 -0.164 0.000 0.865 262 G HN 1.635 nan 8.290 nan 0.000 0.601 263 T N 0.030 114.341 114.554 -0.405 0.000 3.226 263 T HA 0.693 5.044 4.350 0.000 0.000 0.378 263 T C -2.390 171.965 174.700 -0.575 0.000 1.380 263 T CA -1.266 60.315 62.100 -0.866 0.000 1.396 263 T CB 1.684 70.202 68.868 -0.583 0.000 1.044 263 T HN 0.541 nan 8.240 nan 0.000 0.586 264 P HA 0.458 nan 4.420 nan 0.000 0.278 264 P C 0.808 177.952 177.300 -0.259 0.000 1.258 264 P CA -0.158 62.674 63.100 -0.446 0.000 0.811 264 P CB 1.031 32.701 31.700 -0.050 0.000 1.063 265 G N 1.440 110.128 108.800 -0.187 0.000 2.580 265 G HA2 0.347 4.308 3.960 0.000 0.000 0.225 265 G HA3 0.347 4.308 3.960 0.000 0.000 0.225 265 G C -0.541 174.308 174.900 -0.085 0.000 1.521 265 G CA -0.566 44.460 45.100 -0.123 0.000 1.068 265 G HN 0.515 nan 8.290 nan 0.000 0.564 266 R N -1.145 119.305 120.500 -0.085 0.000 2.522 266 R HA 0.454 4.794 4.340 0.000 0.000 0.283 266 R C -1.286 174.960 176.300 -0.090 0.000 1.074 266 R CA -0.430 55.627 56.100 -0.071 0.000 0.925 266 R CB 1.759 32.012 30.300 -0.078 0.000 1.205 266 R HN 0.303 nan 8.270 nan 0.000 0.436 267 L N 1.763 122.956 121.223 -0.051 0.000 2.354 267 L HA 0.604 4.944 4.340 0.000 0.000 0.264 267 L C -0.567 176.292 176.870 -0.018 0.000 1.008 267 L CA -1.018 53.788 54.840 -0.057 0.000 0.819 267 L CB 2.402 44.461 42.059 -0.000 0.000 1.339 267 L HN 0.380 nan 8.230 nan 0.000 0.420 268 K N 1.610 121.994 120.400 -0.027 0.000 2.394 268 K HA 0.604 4.924 4.320 0.000 0.000 0.260 268 K C -1.582 175.047 176.600 0.049 0.000 0.967 268 K CA -0.485 55.793 56.287 -0.014 0.000 0.855 268 K CB 1.825 34.299 32.500 -0.044 0.000 1.101 268 K HN 0.380 nan 8.250 nan 0.000 0.433 269 V N 3.708 123.684 119.914 0.103 0.000 2.398 269 V HA 0.327 4.447 4.120 0.000 0.000 0.286 269 V C -0.394 175.758 176.094 0.096 0.000 1.026 269 V CA -0.592 61.792 62.300 0.140 0.000 0.868 269 V CB 1.726 33.694 31.823 0.241 0.000 0.982 269 V HN 0.839 nan 8.190 nan 0.000 0.443 270 T N 3.831 118.434 114.554 0.082 0.000 2.797 270 T HA 0.803 5.154 4.350 0.000 0.000 0.279 270 T C -0.178 174.582 174.700 0.099 0.000 0.991 270 T CA -0.447 61.696 62.100 0.072 0.000 0.979 270 T CB 1.695 70.598 68.868 0.058 0.000 0.943 270 T HN 0.931 nan 8.240 nan 0.000 0.444 271 A N 2.851 125.746 122.820 0.124 0.000 2.422 271 A HA 0.737 5.057 4.320 0.000 0.000 0.302 271 A C -0.420 177.353 177.584 0.316 0.000 1.041 271 A CA -0.927 51.231 52.037 0.202 0.000 0.708 271 A CB 1.517 20.644 19.000 0.211 0.000 1.257 271 A HN 0.710 nan 8.150 nan 0.000 0.414 272 K N 0.890 121.440 120.400 0.250 0.000 2.095 272 K HA 0.535 4.856 4.320 0.000 0.000 0.252 272 K C 0.398 176.983 176.600 -0.024 0.000 0.977 272 K CA -0.275 56.102 56.287 0.150 0.000 0.900 272 K CB 1.325 33.860 32.500 0.058 0.000 1.060 272 K HN 0.738 nan 8.250 nan 0.000 0.449 273 S N 0.391 115.894 115.700 -0.329 0.000 2.600 273 S HA 0.037 4.507 4.470 0.000 0.000 0.265 273 S C 0.970 175.358 174.600 -0.353 0.000 1.325 273 S CA -0.248 57.499 58.200 -0.755 0.000 1.002 273 S CB 0.933 63.710 63.200 -0.706 0.000 0.921 273 S HN 0.654 nan 8.310 nan 0.000 0.554 274 T N 2.920 117.275 114.554 -0.332 0.000 2.951 274 T HA -0.033 4.317 4.350 0.000 0.000 0.268 274 T C 1.043 175.670 174.700 -0.121 0.000 1.073 274 T CA 1.675 63.681 62.100 -0.157 0.000 1.134 274 T CB -0.372 68.429 68.868 -0.112 0.000 0.884 274 T HN 0.845 nan 8.240 nan 0.000 0.479 275 N N 0.018 118.630 118.700 -0.147 0.000 2.575 275 N HA 0.081 4.821 4.740 0.000 0.000 0.258 275 N C 0.865 176.321 175.510 -0.090 0.000 1.019 275 N CA 0.224 53.217 53.050 -0.095 0.000 0.909 275 N CB -0.149 38.294 38.487 -0.074 0.000 1.728 275 N HN 0.266 nan 8.380 nan 0.000 0.604 276 S N -0.132 115.499 115.700 -0.115 0.000 2.617 276 S HA 0.199 4.670 4.470 0.000 0.000 0.255 276 S C 0.871 175.424 174.600 -0.078 0.000 1.318 276 S CA -0.096 58.054 58.200 -0.083 0.000 0.978 276 S CB 0.993 64.149 63.200 -0.073 0.000 0.961 276 S HN 0.155 nan 8.310 nan 0.000 0.582 277 E N 0.038 120.214 120.200 -0.040 0.000 2.340 277 E HA 0.205 4.555 4.350 0.000 0.000 0.194 277 E C 0.581 177.182 176.600 0.001 0.000 0.996 277 E CA 0.106 56.494 56.400 -0.020 0.000 0.869 277 E CB -0.340 29.357 29.700 -0.005 0.000 0.835 277 E HN 0.755 nan 8.360 nan 0.000 0.493 278 E N 0.017 120.224 120.200 0.013 0.000 2.570 278 E HA -0.073 4.277 4.350 0.000 0.000 0.274 278 E C -0.632 176.059 176.600 0.151 0.000 1.073 278 E CA 0.845 57.293 56.400 0.080 0.000 1.005 278 E CB 0.433 30.201 29.700 0.114 0.000 1.008 278 E HN -0.067 nan 8.360 nan 0.000 0.460 279 T N 2.743 117.407 114.554 0.185 0.000 2.952 279 T HA 0.480 4.830 4.350 0.000 0.000 0.305 279 T C -0.829 173.965 174.700 0.157 0.000 1.064 279 T CA -0.619 61.597 62.100 0.193 0.000 1.008 279 T CB 0.545 69.476 68.868 0.106 0.000 1.078 279 T HN 0.457 nan 8.240 nan 0.000 0.459 280 I N 0.146 120.791 120.570 0.125 0.000 2.646 280 I HA 0.848 5.018 4.170 0.000 0.000 0.299 280 I C -0.647 175.461 176.117 -0.015 0.000 1.036 280 I CA -0.786 60.503 61.300 -0.018 0.000 1.074 280 I CB 2.186 40.057 38.000 -0.215 0.000 1.258 280 I HN 0.414 nan 8.210 nan 0.000 0.430 281 E N 3.418 123.595 120.200 -0.039 0.000 2.218 281 E HA 0.412 4.762 4.350 0.000 0.000 0.263 281 E C -1.425 175.116 176.600 -0.099 0.000 0.879 281 E CA -0.598 55.775 56.400 -0.045 0.000 0.762 281 E CB 1.758 31.434 29.700 -0.040 0.000 1.166 281 E HN 0.611 nan 8.360 nan 0.000 0.415 282 D N 1.630 121.947 120.400 -0.138 0.000 2.621 282 D HA 0.248 4.889 4.640 0.000 0.000 0.255 282 D C -1.030 175.020 176.300 -0.416 0.000 1.122 282 D CA -0.487 53.319 54.000 -0.325 0.000 1.096 282 D CB 1.527 42.015 40.800 -0.520 0.000 1.282 282 D HN 0.500 nan 8.370 nan 0.000 0.619 283 E N 0.175 120.014 120.200 -0.602 0.000 2.210 283 E HA 0.539 4.889 4.350 0.000 0.000 0.266 283 E C -1.326 174.869 176.600 -0.675 0.000 0.883 283 E CA -0.654 55.461 56.400 -0.475 0.000 0.761 283 E CB 1.362 30.920 29.700 -0.237 0.000 1.156 283 E HN 0.174 nan 8.360 nan 0.000 0.412 284 F N 1.178 121.093 119.950 -0.059 0.000 2.661 284 F HA 0.407 4.935 4.527 0.000 0.000 0.347 284 F C 1.342 177.108 175.800 -0.056 0.000 1.086 284 F CA -1.074 56.891 58.000 -0.059 0.000 1.016 284 F CB 1.288 40.252 39.000 -0.060 0.000 1.368 284 F HN 0.410 nan 8.300 nan 0.000 0.505 285 N N -0.737 118.055 118.700 0.153 0.000 2.409 285 N HA 0.086 4.826 4.740 0.000 0.000 0.174 285 N C -0.379 175.174 175.510 0.071 0.000 1.037 285 N CA 0.770 53.859 53.050 0.064 0.000 0.898 285 N CB 0.522 39.027 38.487 0.031 0.000 1.010 285 N HN 0.454 nan 8.380 nan 0.000 0.445 286 T N 0.516 115.110 114.554 0.068 0.000 2.993 286 T HA 0.387 4.737 4.350 0.000 0.000 0.312 286 T C -0.841 173.834 174.700 -0.041 0.000 1.115 286 T CA -0.465 61.648 62.100 0.023 0.000 1.027 286 T CB 2.951 71.801 68.868 -0.030 0.000 1.116 286 T HN -0.355 nan 8.240 nan 0.000 0.464 287 V N 3.725 123.620 119.914 -0.032 0.000 2.409 287 V HA 0.528 4.648 4.120 0.000 0.000 0.291 287 V C -0.606 175.428 176.094 -0.101 0.000 1.020 287 V CA -0.809 61.428 62.300 -0.105 0.000 0.848 287 V CB 1.468 33.262 31.823 -0.048 0.000 0.990 287 V HN 0.707 nan 8.190 nan 0.000 0.430 288 L N 6.836 127.961 121.223 -0.164 0.000 2.265 288 L HA 0.531 4.871 4.340 0.000 0.000 0.289 288 L C -0.490 176.286 176.870 -0.157 0.000 1.033 288 L CA 0.147 54.891 54.840 -0.159 0.000 0.814 288 L CB 0.895 42.839 42.059 -0.192 0.000 1.203 288 L HN 0.534 nan 8.230 nan 0.000 0.423 289 L N 6.195 127.327 121.223 -0.152 0.000 2.268 289 L HA 0.583 4.923 4.340 0.000 0.000 0.289 289 L C 0.188 176.949 176.870 -0.183 0.000 1.064 289 L CA -0.347 54.394 54.840 -0.166 0.000 0.824 289 L CB 1.009 42.944 42.059 -0.207 0.000 1.202 289 L HN 0.817 nan 8.230 nan 0.000 0.433 290 A N 4.408 127.143 122.820 -0.142 0.000 2.842 290 A HA 0.550 4.870 4.320 0.000 0.000 0.339 290 A C -0.028 177.495 177.584 -0.101 0.000 1.177 290 A CA -0.371 51.590 52.037 -0.127 0.000 0.797 290 A CB 0.497 19.428 19.000 -0.115 0.000 1.094 290 A HN 0.498 nan 8.150 nan 0.000 0.474 291 V N -0.644 119.211 119.914 -0.099 0.000 2.647 291 V HA 0.722 4.842 4.120 0.000 0.000 0.305 291 V C 0.365 176.431 176.094 -0.047 0.000 1.162 291 V CA -0.037 62.227 62.300 -0.060 0.000 1.248 291 V CB -0.671 31.125 31.823 -0.045 0.000 1.508 291 V HN 2.142 nan 8.190 nan 0.000 0.647 292 G N 1.546 110.312 108.800 -0.056 0.000 2.707 292 G HA2 -0.004 3.957 3.960 0.000 0.000 0.686 292 G HA3 -0.004 3.957 3.960 0.000 0.000 0.686 292 G C -0.712 174.177 174.900 -0.019 0.000 1.315 292 G CA -0.528 44.553 45.100 -0.031 0.000 0.832 292 G HN 0.960 nan 8.290 nan 0.000 0.573 293 R N 0.508 121.014 120.500 0.011 0.000 2.604 293 R HA 0.491 4.831 4.340 0.000 0.000 0.281 293 R C -1.565 174.767 176.300 0.053 0.000 1.020 293 R CA -1.067 55.055 56.100 0.036 0.000 0.899 293 R CB 2.220 32.548 30.300 0.047 0.000 1.205 293 R HN 0.569 nan 8.270 nan 0.000 0.450 294 D N 1.432 121.872 120.400 0.066 0.000 2.175 294 D HA 0.197 4.838 4.640 0.000 0.000 0.248 294 D C -0.103 176.243 176.300 0.076 0.000 1.047 294 D CA -0.367 53.673 54.000 0.068 0.000 0.883 294 D CB 1.613 42.456 40.800 0.071 0.000 1.180 294 D HN 0.277 nan 8.370 nan 0.000 0.438 295 S N 0.510 116.251 115.700 0.069 0.000 2.572 295 S HA 0.067 4.537 4.470 0.000 0.000 0.279 295 S C 0.351 174.998 174.600 0.079 0.000 1.341 295 S CA -0.535 57.708 58.200 0.072 0.000 1.043 295 S CB 0.403 63.638 63.200 0.059 0.000 0.887 295 S HN 0.485 nan 8.310 nan 0.000 0.516 296 C N 3.348 122.699 119.300 0.086 0.000 2.700 296 C HA 0.290 4.750 4.460 0.000 0.000 0.529 296 C C 1.922 176.960 174.990 0.079 0.000 1.093 296 C CA -0.609 58.468 59.018 0.098 0.000 1.320 296 C CB -2.336 25.471 27.740 0.111 0.000 1.478 296 C HN 1.052 nan 8.230 nan 0.000 0.598 297 T N -2.362 112.236 114.554 0.074 0.000 2.955 297 T HA 0.047 4.398 4.350 0.000 0.000 0.251 297 T C 1.949 176.690 174.700 0.069 0.000 1.002 297 T CA -0.134 62.004 62.100 0.064 0.000 0.970 297 T CB 0.136 69.033 68.868 0.049 0.000 1.091 297 T HN 0.366 nan 8.240 nan 0.000 0.495 298 R N 2.862 123.405 120.500 0.071 0.000 2.096 298 R HA -0.029 4.311 4.340 0.000 0.000 0.229 298 R C 2.117 178.466 176.300 0.082 0.000 1.134 298 R CA 2.111 58.250 56.100 0.066 0.000 0.917 298 R CB -1.781 28.555 30.300 0.060 0.000 0.832 298 R HN 0.640 nan 8.270 nan 0.000 0.430 299 T N -0.406 114.215 114.554 0.112 0.000 3.240 299 T HA 0.335 4.685 4.350 0.000 0.000 0.248 299 T C 1.226 176.051 174.700 0.207 0.000 0.929 299 T CA -0.407 61.771 62.100 0.130 0.000 0.939 299 T CB -0.889 68.038 68.868 0.098 0.000 1.114 299 T HN 0.395 nan 8.240 nan 0.000 0.558 300 I N -2.873 117.789 120.570 0.154 0.000 3.914 300 I HA 0.569 4.740 4.170 0.000 0.000 0.333 300 I C 1.175 177.387 176.117 0.158 0.000 1.449 300 I CA -0.723 60.649 61.300 0.119 0.000 1.135 300 I CB -0.547 37.470 38.000 0.028 0.000 1.073 300 I HN 0.348 nan 8.210 nan 0.000 0.401 301 G N 2.454 111.343 108.800 0.149 0.000 2.295 301 G HA2 -0.261 3.699 3.960 0.000 0.000 0.287 301 G HA3 -0.261 3.699 3.960 0.000 0.000 0.287 301 G C 0.557 175.552 174.900 0.158 0.000 1.055 301 G CA 0.555 45.743 45.100 0.147 0.000 0.922 301 G HN 0.522 nan 8.290 nan 0.000 0.503 302 L N -0.854 120.435 121.223 0.110 0.000 2.141 302 L HA -0.074 4.266 4.340 0.000 0.000 0.209 302 L C 2.808 179.637 176.870 -0.069 0.000 1.094 302 L CA 1.915 56.761 54.840 0.010 0.000 0.763 302 L CB -0.318 41.745 42.059 0.006 0.000 0.908 302 L HN 0.482 nan 8.230 nan 0.000 0.437 303 E N -0.299 119.887 120.200 -0.023 0.000 2.070 303 E HA -0.264 4.086 4.350 0.000 0.000 0.197 303 E C 1.985 178.554 176.600 -0.051 0.000 1.004 303 E CA 1.923 58.302 56.400 -0.034 0.000 0.805 303 E CB -1.043 28.652 29.700 -0.008 0.000 0.744 303 E HN 0.474 nan 8.360 nan 0.000 0.451 304 T N -1.315 113.221 114.554 -0.030 0.000 3.139 304 T HA -0.062 4.288 4.350 0.000 0.000 0.267 304 T C 1.344 175.989 174.700 -0.091 0.000 1.164 304 T CA 1.110 63.194 62.100 -0.027 0.000 1.075 304 T CB -0.343 68.543 68.868 0.030 0.000 0.904 304 T HN 0.190 nan 8.240 nan 0.000 0.540 305 V N -4.529 115.265 119.914 -0.201 0.000 3.392 305 V HA 0.671 4.792 4.120 0.000 0.000 0.294 305 V C 1.370 177.312 176.094 -0.255 0.000 1.561 305 V CA -0.209 61.917 62.300 -0.290 0.000 1.056 305 V CB -0.613 30.812 31.823 -0.662 0.000 0.882 305 V HN 0.533 nan 8.190 nan 0.000 0.440 306 G N 1.391 110.079 108.800 -0.186 0.000 2.295 306 G HA2 -0.191 3.769 3.960 0.000 0.000 0.287 306 G HA3 -0.191 3.769 3.960 0.000 0.000 0.287 306 G C 0.007 174.803 174.900 -0.172 0.000 1.055 306 G CA 0.336 45.353 45.100 -0.139 0.000 0.922 306 G HN 0.865 nan 8.290 nan 0.000 0.503 307 V N 0.146 119.931 119.914 -0.214 0.000 2.508 307 V HA 0.240 4.361 4.120 0.000 0.000 0.281 307 V C 1.032 177.054 176.094 -0.120 0.000 1.041 307 V CA -0.007 62.174 62.300 -0.199 0.000 1.016 307 V CB 1.283 32.968 31.823 -0.229 0.000 0.984 307 V HN 0.412 nan 8.190 nan 0.000 0.478 308 K N 5.298 125.636 120.400 -0.103 0.000 2.276 308 K HA 0.545 4.865 4.320 0.000 0.000 0.283 308 K C -0.259 176.308 176.600 -0.055 0.000 1.044 308 K CA -0.132 56.113 56.287 -0.069 0.000 0.944 308 K CB 0.829 33.292 32.500 -0.061 0.000 1.012 308 K HN 0.733 nan 8.250 nan 0.000 0.472 309 I N -0.522 120.026 120.570 -0.037 0.000 2.740 309 I HA 0.390 4.560 4.170 0.000 0.000 0.303 309 I C -0.357 175.750 176.117 -0.016 0.000 1.044 309 I CA -1.149 60.137 61.300 -0.023 0.000 1.064 309 I CB 1.784 39.778 38.000 -0.009 0.000 1.249 309 I HN 0.375 nan 8.210 nan 0.000 0.433 310 N N 4.024 122.717 118.700 -0.012 0.000 2.429 310 N HA -0.021 4.719 4.740 0.000 0.000 0.271 310 N C 0.719 176.228 175.510 -0.001 0.000 1.272 310 N CA 0.430 53.475 53.050 -0.008 0.000 0.921 310 N CB 0.615 39.098 38.487 -0.006 0.000 1.128 310 N HN 0.658 nan 8.380 nan 0.000 0.481 311 E N 3.659 123.858 120.200 -0.002 0.000 2.072 311 E HA -0.193 4.157 4.350 0.000 0.000 0.191 311 E C 1.384 177.988 176.600 0.007 0.000 0.985 311 E CA 0.907 57.309 56.400 0.003 0.000 0.801 311 E CB -0.003 29.697 29.700 0.000 0.000 0.750 311 E HN 0.720 nan 8.360 nan 0.000 0.452 312 K N 0.642 121.045 120.400 0.006 0.000 2.002 312 K HA -0.133 4.188 4.320 0.000 0.000 0.209 312 K C 2.185 178.793 176.600 0.013 0.000 1.048 312 K CA 2.139 58.431 56.287 0.009 0.000 0.930 312 K CB -0.147 32.357 32.500 0.006 0.000 0.714 312 K HN 0.221 nan 8.250 nan 0.000 0.438 313 T N -4.007 110.554 114.554 0.012 0.000 3.010 313 T HA 0.200 4.550 4.350 0.000 0.000 0.252 313 T C 1.453 176.167 174.700 0.023 0.000 1.047 313 T CA 0.970 63.080 62.100 0.018 0.000 1.140 313 T CB 0.263 69.141 68.868 0.015 0.000 0.885 313 T HN 0.481 nan 8.240 nan 0.000 0.464 314 G N 1.264 110.075 108.800 0.020 0.000 2.179 314 G HA2 -0.153 3.807 3.960 0.000 0.000 0.220 314 G HA3 -0.153 3.807 3.960 0.000 0.000 0.220 314 G C 0.038 174.953 174.900 0.024 0.000 0.990 314 G CA -0.156 44.959 45.100 0.025 0.000 0.646 314 G HN 0.596 nan 8.290 nan 0.000 0.517 315 K N 0.402 120.813 120.400 0.018 0.000 2.202 315 K HA 0.531 4.852 4.320 0.000 0.000 0.264 315 K C 0.591 177.193 176.600 0.004 0.000 1.010 315 K CA -0.368 55.928 56.287 0.015 0.000 0.940 315 K CB 1.072 33.578 32.500 0.010 0.000 0.983 315 K HN 0.319 nan 8.250 nan 0.000 0.475 316 I N 4.316 124.887 120.570 0.002 0.000 2.306 316 I HA 0.158 4.328 4.170 0.000 0.000 0.288 316 I C -2.120 173.984 176.117 -0.023 0.000 1.036 316 I CA -2.305 58.988 61.300 -0.011 0.000 1.221 316 I CB 1.203 39.200 38.000 -0.005 0.000 1.385 316 I HN 0.139 nan 8.210 nan 0.000 0.472 317 P HA 0.158 nan 4.420 nan 0.000 0.269 317 P C -0.658 176.612 177.300 -0.050 0.000 1.209 317 P CA -0.033 63.041 63.100 -0.044 0.000 0.776 317 P CB 1.096 32.770 31.700 -0.043 0.000 0.876 318 V N 1.082 120.964 119.914 -0.054 0.000 3.023 318 V HA 0.301 4.422 4.120 0.000 0.000 0.294 318 V C -0.047 176.020 176.094 -0.044 0.000 1.324 318 V CA -0.524 61.749 62.300 -0.045 0.000 0.979 318 V CB 2.389 34.196 31.823 -0.027 0.000 1.093 318 V HN 0.739 nan 8.190 nan 0.000 0.434 319 T N 0.278 114.817 114.554 -0.024 0.000 2.802 319 T HA 0.111 4.461 4.350 0.000 0.000 0.305 319 T C 0.976 175.673 174.700 -0.005 0.000 1.053 319 T CA 0.446 62.538 62.100 -0.012 0.000 1.058 319 T CB 0.614 69.485 68.868 0.005 0.000 0.988 319 T HN 0.913 nan 8.240 nan 0.000 0.539 320 D N -0.447 119.950 120.400 -0.005 0.000 2.407 320 D HA -0.111 4.529 4.640 0.000 0.000 0.234 320 D C 0.897 177.230 176.300 0.055 0.000 1.029 320 D CA 0.681 54.685 54.000 0.008 0.000 0.937 320 D CB -0.280 40.528 40.800 0.012 0.000 0.882 320 D HN 0.859 nan 8.370 nan 0.000 0.531 321 E N -0.455 119.786 120.200 0.068 0.000 2.624 321 E HA 0.078 4.428 4.350 0.000 0.000 0.210 321 E C -0.478 176.213 176.600 0.151 0.000 0.997 321 E CA -0.205 56.253 56.400 0.096 0.000 0.999 321 E CB 0.278 30.036 29.700 0.097 0.000 1.040 321 E HN 0.014 nan 8.360 nan 0.000 0.469 322 E N 0.512 120.796 120.200 0.141 0.000 2.791 322 E HA -0.251 4.099 4.350 0.000 0.000 0.271 322 E C -0.330 176.462 176.600 0.319 0.000 1.044 322 E CA 0.620 57.129 56.400 0.181 0.000 0.814 322 E CB -1.189 28.614 29.700 0.172 0.000 1.400 322 E HN 0.284 nan 8.360 nan 0.000 0.423 323 Q N 0.865 120.791 119.800 0.210 0.000 2.257 323 Q HA 0.382 4.722 4.340 0.000 0.000 0.255 323 Q C 0.391 176.308 176.000 -0.138 0.000 0.920 323 Q CA 0.069 55.842 55.803 -0.050 0.000 0.927 323 Q CB 0.926 29.625 28.738 -0.064 0.000 1.229 323 Q HN 0.289 nan 8.270 nan 0.000 0.433 324 T N 0.334 114.741 114.554 -0.245 0.000 2.732 324 T HA 0.043 4.393 4.350 0.000 0.000 0.287 324 T C 1.327 175.905 174.700 -0.203 0.000 0.993 324 T CA -0.069 61.916 62.100 -0.191 0.000 0.966 324 T CB 0.384 69.125 68.868 -0.212 0.000 1.047 324 T HN 0.819 nan 8.240 nan 0.000 0.527 325 N N -0.131 118.471 118.700 -0.163 0.000 2.272 325 N HA -0.104 4.636 4.740 0.000 0.000 0.185 325 N C 0.312 175.718 175.510 -0.174 0.000 1.014 325 N CA 0.678 53.643 53.050 -0.141 0.000 0.870 325 N CB -0.973 37.450 38.487 -0.107 0.000 0.975 325 N HN 0.434 nan 8.380 nan 0.000 0.433 326 V N 3.519 123.279 119.914 -0.256 0.000 2.389 326 V HA 0.151 4.272 4.120 0.000 0.000 0.264 326 V C -1.141 174.721 176.094 -0.386 0.000 1.049 326 V CA -1.264 60.848 62.300 -0.314 0.000 0.932 326 V CB 1.216 32.760 31.823 -0.466 0.000 1.011 326 V HN 0.125 nan 8.190 nan 0.000 0.475 327 P HA -0.191 nan 4.420 nan 0.000 0.220 327 P C 0.953 178.145 177.300 -0.179 0.000 1.144 327 P CA 1.597 64.601 63.100 -0.161 0.000 0.800 327 P CB 0.022 31.726 31.700 0.006 0.000 0.772 328 Y N -1.976 118.217 120.300 -0.178 0.000 2.457 328 Y HA 0.462 5.012 4.550 0.001 0.000 0.263 328 Y C 0.824 176.647 175.900 -0.129 0.000 1.164 328 Y CA -1.017 57.023 58.100 -0.101 0.000 1.274 328 Y CB -0.685 37.737 38.460 -0.063 0.000 1.097 328 Y HN -0.247 nan 8.280 nan 0.000 0.523 329 I N 1.396 121.555 120.570 -0.686 0.000 2.377 329 I HA 0.307 4.478 4.170 0.000 0.000 0.293 329 I C -1.141 174.667 176.117 -0.515 0.000 0.987 329 I CA -0.853 60.168 61.300 -0.465 0.000 1.185 329 I CB 1.076 38.717 38.000 -0.599 0.000 1.341 329 I HN -0.024 nan 8.210 nan 0.000 0.455 330 Y N 3.904 124.209 120.300 0.009 0.000 2.598 330 Y HA 0.803 5.354 4.550 0.000 0.000 0.340 330 Y C 0.111 176.030 175.900 0.032 0.000 1.038 330 Y CA -0.903 57.205 58.100 0.013 0.000 1.100 330 Y CB 2.020 40.498 38.460 0.030 0.000 1.281 330 Y HN 0.529 nan 8.280 nan 0.000 0.488 331 A N 2.103 125.042 122.820 0.198 0.000 2.449 331 A HA 0.842 5.162 4.320 0.000 0.000 0.302 331 A C -1.850 175.808 177.584 0.124 0.000 1.048 331 A CA -0.582 51.530 52.037 0.125 0.000 0.708 331 A CB 1.174 20.215 19.000 0.068 0.000 1.274 331 A HN 0.505 nan 8.150 nan 0.000 0.410 332 I N 1.198 121.829 120.570 0.103 0.000 2.686 332 I HA 0.702 4.872 4.170 0.000 0.000 0.295 332 I C 0.879 177.051 176.117 0.091 0.000 1.114 332 I CA 0.951 62.311 61.300 0.101 0.000 1.038 332 I CB 1.176 39.224 38.000 0.080 0.000 1.238 332 I HN 1.511 nan 8.210 nan 0.000 0.420 333 G N 6.382 115.248 108.800 0.111 0.000 2.520 333 G HA2 -0.246 3.714 3.960 0.000 0.000 0.248 333 G HA3 -0.246 3.714 3.960 0.000 0.000 0.248 333 G C 0.418 175.379 174.900 0.102 0.000 1.161 333 G CA 0.384 45.544 45.100 0.099 0.000 0.946 333 G HN 0.453 nan 8.290 nan 0.000 0.565 334 D N 0.874 121.327 120.400 0.088 0.000 2.178 334 D HA -0.026 4.615 4.640 0.000 0.000 0.202 334 D C 2.543 178.889 176.300 0.078 0.000 0.974 334 D CA 1.592 55.646 54.000 0.091 0.000 0.841 334 D CB -0.303 40.554 40.800 0.095 0.000 0.953 334 D HN 0.713 nan 8.370 nan 0.000 0.478 335 I N -1.473 119.138 120.570 0.069 0.000 2.916 335 I HA -0.031 4.139 4.170 0.000 0.000 0.267 335 I C 0.653 176.796 176.117 0.043 0.000 1.263 335 I CA 0.165 61.499 61.300 0.056 0.000 1.471 335 I CB -0.452 37.580 38.000 0.054 0.000 1.089 335 I HN -0.168 nan 8.210 nan 0.000 0.468 336 L N 1.962 123.212 121.223 0.045 0.000 2.467 336 L HA 0.183 4.523 4.340 0.000 0.000 0.270 336 L C 0.628 177.499 176.870 0.001 0.000 1.205 336 L CA 0.226 55.077 54.840 0.017 0.000 0.828 336 L CB 0.437 42.504 42.059 0.014 0.000 1.101 336 L HN 0.293 nan 8.230 nan 0.000 0.479 337 E N 0.873 121.058 120.200 -0.025 0.000 2.249 337 E HA 0.252 4.602 4.350 0.000 0.000 0.280 337 E C 0.499 177.069 176.600 -0.050 0.000 1.016 337 E CA 0.061 56.444 56.400 -0.027 0.000 0.830 337 E CB 1.091 30.773 29.700 -0.030 0.000 1.081 337 E HN 0.769 nan 8.360 nan 0.000 0.395 338 G N 3.942 112.723 108.800 -0.032 0.000 2.366 338 G HA2 -0.243 3.717 3.960 0.000 0.000 0.299 338 G HA3 -0.243 3.717 3.960 0.000 0.000 0.299 338 G C -0.235 174.631 174.900 -0.057 0.000 1.020 338 G CA 0.552 45.629 45.100 -0.039 0.000 1.026 338 G HN 0.337 nan 8.290 nan 0.000 0.512 339 K N -1.221 119.164 120.400 -0.024 0.000 2.349 339 K HA 0.696 5.017 4.320 0.000 0.000 0.243 339 K C 0.330 176.986 176.600 0.094 0.000 1.058 339 K CA -1.191 55.111 56.287 0.025 0.000 0.871 339 K CB 0.994 33.506 32.500 0.020 0.000 1.337 339 K HN 0.108 nan 8.250 nan 0.000 0.469 340 L N 1.562 122.884 121.223 0.164 0.000 2.326 340 L HA 0.243 4.583 4.340 0.000 0.000 0.278 340 L C 0.396 177.337 176.870 0.118 0.000 1.092 340 L CA 0.051 54.959 54.840 0.114 0.000 0.810 340 L CB 0.304 42.418 42.059 0.091 0.000 1.153 340 L HN 0.433 nan 8.230 nan 0.000 0.439 341 E N 5.154 125.421 120.200 0.111 0.000 2.201 341 E HA 0.390 4.740 4.350 0.000 0.000 0.272 341 E C -1.003 175.662 176.600 0.108 0.000 1.228 341 E CA -0.060 56.416 56.400 0.126 0.000 1.305 341 E CB 0.068 29.866 29.700 0.163 0.000 1.381 341 E HN 0.412 nan 8.360 nan 0.000 0.475 342 L N 0.119 121.379 121.223 0.063 0.000 2.370 342 L HA 0.311 4.652 4.340 0.000 0.000 0.266 342 L C 1.307 178.190 176.870 0.022 0.000 1.002 342 L CA -0.666 54.187 54.840 0.022 0.000 0.818 342 L CB 1.951 44.000 42.059 -0.017 0.000 1.325 342 L HN 0.109 nan 8.230 nan 0.000 0.418 343 T N 0.826 115.390 114.554 0.016 0.000 2.652 343 T HA -0.081 4.270 4.350 0.000 0.000 0.267 343 T C -1.060 173.637 174.700 -0.005 0.000 1.039 343 T CA 1.767 63.873 62.100 0.010 0.000 1.153 343 T CB -0.640 68.232 68.868 0.008 0.000 0.863 343 T HN 0.492 nan 8.240 nan 0.000 0.428 344 P HA -0.016 nan 4.420 nan 0.000 0.218 344 P C 1.598 178.867 177.300 -0.053 0.000 1.148 344 P CA 0.513 63.596 63.100 -0.030 0.000 0.822 344 P CB -0.217 31.463 31.700 -0.034 0.000 0.784 345 V N 0.577 120.454 119.914 -0.060 0.000 2.233 345 V HA -0.299 3.821 4.120 0.000 0.000 0.247 345 V C 2.520 178.575 176.094 -0.066 0.000 1.050 345 V CA 2.486 64.723 62.300 -0.104 0.000 1.010 345 V CB -1.768 30.014 31.823 -0.069 0.000 0.637 345 V HN 0.115 nan 8.190 nan 0.000 0.444 346 A N -0.268 122.547 122.820 -0.007 0.000 1.908 346 A HA -0.226 4.095 4.320 0.000 0.000 0.218 346 A C 2.181 179.765 177.584 -0.001 0.000 1.181 346 A CA 2.249 54.296 52.037 0.017 0.000 0.627 346 A CB -0.657 18.360 19.000 0.028 0.000 0.818 346 A HN 0.531 nan 8.150 nan 0.000 0.445 347 I N -0.919 119.644 120.570 -0.011 0.000 2.127 347 I HA -0.325 3.845 4.170 0.000 0.000 0.241 347 I C 2.813 178.919 176.117 -0.018 0.000 1.075 347 I CA 1.999 63.293 61.300 -0.010 0.000 1.334 347 I CB -0.372 37.624 38.000 -0.006 0.000 1.040 347 I HN 0.505 nan 8.210 nan 0.000 0.405 348 Q N 1.222 120.996 119.800 -0.043 0.000 2.020 348 Q HA -0.214 4.126 4.340 0.000 0.000 0.202 348 Q C 2.203 178.172 176.000 -0.051 0.000 0.982 348 Q CA 2.457 58.225 55.803 -0.059 0.000 0.838 348 Q CB -0.359 28.316 28.738 -0.105 0.000 0.899 348 Q HN 0.469 nan 8.270 nan 0.000 0.423 349 A N 0.128 122.912 122.820 -0.060 0.000 1.859 349 A HA -0.174 4.146 4.320 0.000 0.000 0.217 349 A C 2.363 179.955 177.584 0.014 0.000 1.198 349 A CA 2.079 54.112 52.037 -0.007 0.000 0.629 349 A CB -1.761 17.276 19.000 0.061 0.000 0.830 349 A HN 0.620 nan 8.150 nan 0.000 0.446 350 G N -1.084 107.725 108.800 0.015 0.000 2.418 350 G HA2 -0.258 3.703 3.960 0.000 0.000 0.217 350 G HA3 -0.258 3.703 3.960 0.000 0.000 0.217 350 G C 1.748 176.657 174.900 0.016 0.000 1.158 350 G CA 1.090 46.200 45.100 0.017 0.000 0.771 350 G HN 0.575 nan 8.290 nan 0.000 0.545 351 R N -0.119 120.390 120.500 0.016 0.000 2.073 351 R HA 0.074 4.414 4.340 0.000 0.000 0.234 351 R C 2.511 178.832 176.300 0.035 0.000 1.134 351 R CA 1.080 57.198 56.100 0.030 0.000 0.952 351 R CB -0.350 29.962 30.300 0.020 0.000 0.850 351 R HN 0.388 nan 8.270 nan 0.000 0.433 352 L N 0.804 122.033 121.223 0.011 0.000 2.217 352 L HA -0.134 4.206 4.340 0.000 0.000 0.211 352 L C 2.402 179.260 176.870 -0.020 0.000 1.107 352 L CA 0.223 55.065 54.840 0.003 0.000 0.783 352 L CB -0.287 41.768 42.059 -0.008 0.000 0.919 352 L HN 0.280 nan 8.230 nan 0.000 0.442 353 L N 0.371 121.574 121.223 -0.034 0.000 2.046 353 L HA -0.134 4.206 4.340 0.000 0.000 0.208 353 L C 2.590 179.386 176.870 -0.124 0.000 1.077 353 L CA 2.058 56.834 54.840 -0.106 0.000 0.747 353 L CB -0.631 41.352 42.059 -0.126 0.000 0.896 353 L HN 0.113 nan 8.230 nan 0.000 0.432 354 A N -1.218 121.592 122.820 -0.017 0.000 1.969 354 A HA -0.175 4.146 4.320 0.000 0.000 0.218 354 A C 2.148 179.760 177.584 0.047 0.000 1.169 354 A CA 1.357 53.445 52.037 0.085 0.000 0.635 354 A CB -0.484 18.627 19.000 0.185 0.000 0.810 354 A HN 0.604 nan 8.150 nan 0.000 0.445 355 Q N -0.000 119.820 119.800 0.033 0.000 2.050 355 Q HA -0.160 4.181 4.340 0.000 0.000 0.202 355 Q C 2.251 178.156 176.000 -0.158 0.000 0.980 355 Q CA 1.669 57.469 55.803 -0.005 0.000 0.840 355 Q CB -0.436 28.328 28.738 0.044 0.000 0.898 355 Q HN 0.711 nan 8.270 nan 0.000 0.424 356 R N 0.141 120.552 120.500 -0.149 0.000 2.080 356 R HA -0.079 4.261 4.340 0.000 0.000 0.236 356 R C 2.579 178.705 176.300 -0.290 0.000 1.137 356 R CA 1.193 57.184 56.100 -0.181 0.000 0.943 356 R CB -0.491 29.720 30.300 -0.149 0.000 0.846 356 R HN 0.209 nan 8.270 nan 0.000 0.431 357 L N -0.935 120.034 121.223 -0.423 0.000 1.994 357 L HA -0.194 4.147 4.340 0.000 0.000 0.208 357 L C 1.524 177.898 176.870 -0.826 0.000 1.071 357 L CA 1.555 55.961 54.840 -0.723 0.000 0.745 357 L CB -0.303 41.093 42.059 -1.104 0.000 0.892 357 L HN 0.278 nan 8.230 nan 0.000 0.431 358 Y N -1.891 118.195 120.300 -0.358 0.000 2.500 358 Y HA 0.307 4.857 4.550 0.000 0.000 0.246 358 Y C 1.730 176.998 175.900 -1.054 0.000 1.146 358 Y CA 0.134 57.925 58.100 -0.514 0.000 1.230 358 Y CB 0.434 38.683 38.460 -0.351 0.000 1.214 358 Y HN -0.003 nan 8.280 nan 0.000 0.526 359 G N -1.097 107.157 108.800 -0.910 0.000 3.342 359 G HA2 0.351 4.311 3.960 0.000 0.000 0.252 359 G HA3 0.351 4.311 3.960 0.000 0.000 0.252 359 G C 1.154 175.898 174.900 -0.260 0.000 1.011 359 G CA 0.006 44.617 45.100 -0.816 0.000 0.869 359 G HN 0.349 nan 8.290 nan 0.000 0.514 360 G N 0.613 109.275 108.800 -0.230 0.000 2.341 360 G HA2 -0.221 3.739 3.960 0.000 0.000 0.292 360 G HA3 -0.221 3.739 3.960 0.000 0.000 0.292 360 G C 0.470 175.327 174.900 -0.073 0.000 1.021 360 G CA 0.806 45.833 45.100 -0.122 0.000 0.905 360 G HN 1.147 nan 8.290 nan 0.000 0.508 361 S N -0.866 114.790 115.700 -0.073 0.000 2.565 361 S HA 0.558 5.028 4.470 0.000 0.000 0.276 361 S C 1.680 176.258 174.600 -0.036 0.000 1.326 361 S CA 0.761 58.942 58.200 -0.031 0.000 1.045 361 S CB 0.862 64.055 63.200 -0.012 0.000 0.918 361 S HN 1.028 nan 8.310 nan 0.000 0.505 362 T N 1.238 115.780 114.554 -0.019 0.000 3.086 362 T HA 0.213 4.563 4.350 0.000 0.000 0.250 362 T C 0.290 174.985 174.700 -0.008 0.000 1.074 362 T CA -0.267 61.823 62.100 -0.016 0.000 0.988 362 T CB -0.292 68.570 68.868 -0.009 0.000 0.988 362 T HN 0.347 nan 8.240 nan 0.000 0.530 363 V N 2.653 122.563 119.914 -0.006 0.000 2.450 363 V HA 0.199 4.319 4.120 0.000 0.000 0.281 363 V C 0.592 176.687 176.094 0.003 0.000 1.019 363 V CA -0.190 62.110 62.300 -0.000 0.000 1.062 363 V CB -0.110 31.712 31.823 -0.000 0.000 0.979 363 V HN 0.398 nan 8.190 nan 0.000 0.477 364 K N 3.015 123.424 120.400 0.015 0.000 2.155 364 K HA 0.438 4.759 4.320 0.000 0.000 0.237 364 K C -0.124 176.497 176.600 0.035 0.000 1.040 364 K CA -0.444 55.864 56.287 0.035 0.000 0.912 364 K CB 0.820 33.351 32.500 0.052 0.000 1.137 364 K HN 0.715 nan 8.250 nan 0.000 0.498 365 C N 1.333 120.678 119.300 0.076 0.000 2.295 365 C HA 0.246 4.707 4.460 0.000 0.000 0.331 365 C C -0.661 174.344 174.990 0.025 0.000 1.280 365 C CA -0.667 58.358 59.018 0.011 0.000 1.746 365 C CB -0.119 27.629 27.740 0.014 0.000 2.328 365 C HN 0.613 nan 8.230 nan 0.000 0.521 366 D N 3.768 124.124 120.400 -0.073 0.000 2.365 366 D HA 0.183 4.823 4.640 0.000 0.000 0.237 366 D C -0.012 176.234 176.300 -0.090 0.000 1.190 366 D CA 0.069 54.059 54.000 -0.018 0.000 0.867 366 D CB 0.365 41.151 40.800 -0.022 0.000 1.050 366 D HN 0.706 nan 8.370 nan 0.000 0.491 367 Y N 1.101 121.401 120.300 -0.000 0.000 2.490 367 Y HA 0.097 4.647 4.550 0.000 0.000 0.281 367 Y C 0.462 176.361 175.900 -0.001 0.000 1.174 367 Y CA -0.230 57.870 58.100 -0.001 0.000 1.295 367 Y CB 0.403 38.865 38.460 0.003 0.000 1.062 367 Y HN 0.215 nan 8.280 nan 0.000 0.522 368 D N 1.075 121.540 120.400 0.108 0.000 2.277 368 D HA 0.086 4.726 4.640 0.000 0.000 0.249 368 D C -0.005 176.314 176.300 0.033 0.000 1.134 368 D CA 0.097 54.140 54.000 0.072 0.000 0.863 368 D CB 0.346 41.185 40.800 0.065 0.000 1.143 368 D HN 0.197 nan 8.370 nan 0.000 0.458 369 N N 0.875 119.594 118.700 0.032 0.000 2.740 369 N HA -0.159 4.582 4.740 0.000 0.000 0.248 369 N C -0.585 174.912 175.510 -0.022 0.000 1.062 369 N CA 0.204 53.259 53.050 0.008 0.000 0.704 369 N CB -1.242 37.247 38.487 0.004 0.000 0.968 369 N HN 0.159 nan 8.380 nan 0.000 0.547 370 V N 2.102 122.004 119.914 -0.019 0.000 2.479 370 V HA 0.158 4.278 4.120 0.000 0.000 0.281 370 V C -1.072 174.991 176.094 -0.051 0.000 1.031 370 V CA -0.742 61.531 62.300 -0.045 0.000 1.038 370 V CB 0.788 32.586 31.823 -0.042 0.000 0.981 370 V HN 0.153 nan 8.190 nan 0.000 0.478 371 P HA 0.225 nan 4.420 nan 0.000 0.272 371 P C -0.387 176.861 177.300 -0.087 0.000 1.223 371 P CA 0.011 63.056 63.100 -0.092 0.000 0.784 371 P CB 1.178 32.808 31.700 -0.116 0.000 0.923 372 T N 0.241 114.730 114.554 -0.108 0.000 2.903 372 T HA 0.529 4.879 4.350 0.000 0.000 0.299 372 T C -1.283 173.263 174.700 -0.257 0.000 1.093 372 T CA -0.292 61.728 62.100 -0.134 0.000 1.002 372 T CB 1.054 69.898 68.868 -0.041 0.000 1.127 372 T HN 0.326 nan 8.240 nan 0.000 0.488 373 T N 2.709 117.046 114.554 -0.361 0.000 2.949 373 T HA 0.461 4.811 4.350 0.000 0.000 0.300 373 T C -0.608 173.613 174.700 -0.799 0.000 0.988 373 T CA -0.448 61.273 62.100 -0.631 0.000 0.993 373 T CB 1.270 69.669 68.868 -0.782 0.000 0.984 373 T HN 0.504 nan 8.240 nan 0.000 0.442 374 V N 4.191 123.708 119.914 -0.661 0.000 2.488 374 V HA 0.276 4.396 4.120 0.000 0.000 0.277 374 V C -0.040 175.796 176.094 -0.430 0.000 1.046 374 V CA -0.195 61.844 62.300 -0.434 0.000 0.986 374 V CB 0.124 31.755 31.823 -0.320 0.000 0.989 374 V HN 0.890 nan 8.190 nan 0.000 0.475 375 F N 2.915 122.818 119.950 -0.079 0.000 2.980 375 F HA 0.160 4.687 4.527 0.001 0.000 0.299 375 F C 1.556 177.186 175.800 -0.284 0.000 1.211 375 F CA -0.583 57.290 58.000 -0.212 0.000 1.328 375 F CB -0.244 38.588 39.000 -0.280 0.000 1.154 375 F HN 0.568 nan 8.300 nan 0.000 0.528 376 T N -1.944 112.617 114.554 0.012 0.000 2.855 376 T HA 0.006 4.357 4.350 0.000 0.000 0.314 376 T C -1.493 173.272 174.700 0.108 0.000 1.077 376 T CA -1.283 60.860 62.100 0.071 0.000 1.095 376 T CB 0.641 69.571 68.868 0.104 0.000 0.987 376 T HN -0.017 nan 8.240 nan 0.000 0.546 377 P HA -0.093 nan 4.420 nan 0.000 0.216 377 P C 0.463 177.901 177.300 0.230 0.000 1.167 377 P CA 0.701 63.977 63.100 0.293 0.000 0.914 377 P CB -0.061 31.812 31.700 0.288 0.000 0.793 378 L N 0.510 121.755 121.223 0.037 0.000 2.278 378 L HA 0.149 4.489 4.340 0.000 0.000 0.287 378 L C 0.221 177.121 176.870 0.050 0.000 1.072 378 L CA -0.282 54.493 54.840 -0.108 0.000 0.819 378 L CB -0.245 41.439 42.059 -0.625 0.000 1.176 378 L HN -0.053 nan 8.230 nan 0.000 0.435 379 E N 3.872 124.162 120.200 0.150 0.000 2.383 379 E HA 0.067 4.417 4.350 0.000 0.000 0.264 379 E C -1.430 175.259 176.600 0.149 0.000 1.050 379 E CA -0.078 56.403 56.400 0.135 0.000 0.896 379 E CB 0.864 30.686 29.700 0.202 0.000 0.982 379 E HN 0.462 nan 8.360 nan 0.000 0.424 380 Y N 1.148 121.391 120.300 -0.095 0.000 2.363 380 Y HA 0.470 5.020 4.550 0.001 0.000 0.325 380 Y C -0.424 175.399 175.900 -0.129 0.000 0.984 380 Y CA -1.020 57.038 58.100 -0.070 0.000 1.248 380 Y CB 1.072 39.485 38.460 -0.078 0.000 1.116 380 Y HN 0.505 nan 8.280 nan 0.000 0.470 381 G N 3.332 112.053 108.800 -0.131 0.000 2.417 381 G HA2 0.652 4.612 3.960 0.000 0.000 0.334 381 G HA3 0.652 4.612 3.960 0.000 0.000 0.334 381 G C -1.241 173.538 174.900 -0.201 0.000 1.150 381 G CA -0.351 44.589 45.100 -0.266 0.000 0.923 381 G HN 1.229 nan 8.290 nan 0.000 0.485 382 C N -1.185 117.978 119.300 -0.228 0.000 3.302 382 C HA 0.809 5.269 4.460 0.000 0.000 0.347 382 C C -0.778 174.147 174.990 -0.107 0.000 1.218 382 C CA -1.373 57.565 59.018 -0.133 0.000 1.234 382 C CB 0.951 28.538 27.740 -0.256 0.000 1.551 382 C HN 1.364 nan 8.230 nan 0.000 0.501 383 C N 2.735 121.986 119.300 -0.081 0.000 2.891 383 C HA 0.948 5.408 4.460 0.000 0.000 0.342 383 C C 0.620 175.593 174.990 -0.028 0.000 1.126 383 C CA 1.839 60.813 59.018 -0.073 0.000 1.322 383 C CB 0.854 28.512 27.740 -0.136 0.000 1.763 383 C HN 3.238 nan 8.230 nan 0.000 0.491 384 G N 3.952 112.756 108.800 0.006 0.000 2.451 384 G HA2 0.004 3.964 3.960 0.000 0.000 0.208 384 G HA3 0.004 3.964 3.960 0.000 0.000 0.208 384 G C -1.330 173.634 174.900 0.107 0.000 1.248 384 G CA -0.241 44.896 45.100 0.061 0.000 0.989 384 G HN 1.125 nan 8.290 nan 0.000 0.559 385 L N 1.285 122.608 121.223 0.166 0.000 2.343 385 L HA 0.600 4.940 4.340 0.000 0.000 0.275 385 L C 1.463 178.517 176.870 0.306 0.000 1.056 385 L CA -0.143 54.819 54.840 0.203 0.000 0.804 385 L CB 1.740 43.926 42.059 0.211 0.000 1.203 385 L HN 0.984 nan 8.230 nan 0.000 0.440 386 S N -0.072 115.798 115.700 0.283 0.000 2.614 386 S HA 0.106 4.577 4.470 0.000 0.000 0.265 386 S C 0.834 175.529 174.600 0.158 0.000 1.303 386 S CA -0.504 57.868 58.200 0.287 0.000 1.000 386 S CB 1.208 64.542 63.200 0.225 0.000 0.935 386 S HN 0.749 nan 8.310 nan 0.000 0.551 387 E N 1.064 121.294 120.200 0.050 0.000 2.038 387 E HA -0.226 4.124 4.350 0.000 0.000 0.195 387 E C 2.134 178.766 176.600 0.053 0.000 1.000 387 E CA 1.658 58.077 56.400 0.031 0.000 0.803 387 E CB -0.170 29.511 29.700 -0.031 0.000 0.750 387 E HN 0.856 nan 8.360 nan 0.000 0.448 388 E N 0.900 121.127 120.200 0.046 0.000 2.085 388 E HA -0.241 4.109 4.350 0.000 0.000 0.194 388 E C 1.840 178.478 176.600 0.063 0.000 0.994 388 E CA 1.161 57.588 56.400 0.045 0.000 0.801 388 E CB -0.370 29.351 29.700 0.036 0.000 0.743 388 E HN 0.186 nan 8.360 nan 0.000 0.453 389 K N 0.444 120.893 120.400 0.083 0.000 2.217 389 K HA 0.073 4.393 4.320 0.000 0.000 0.202 389 K C 2.143 178.819 176.600 0.128 0.000 1.051 389 K CA 0.866 57.206 56.287 0.088 0.000 0.952 389 K CB -0.007 32.548 32.500 0.091 0.000 0.736 389 K HN 0.202 nan 8.250 nan 0.000 0.453 390 A N 0.738 123.661 122.820 0.170 0.000 1.930 390 A HA -0.049 4.272 4.320 0.000 0.000 0.215 390 A C 2.255 179.983 177.584 0.241 0.000 1.176 390 A CA 0.738 52.937 52.037 0.270 0.000 0.632 390 A CB -0.338 18.792 19.000 0.216 0.000 0.819 390 A HN 0.017 nan 8.150 nan 0.000 0.445 391 V N 0.204 120.200 119.914 0.138 0.000 2.220 391 V HA -0.316 3.804 4.120 0.000 0.000 0.246 391 V C 2.551 178.696 176.094 0.084 0.000 1.049 391 V CA 2.493 64.852 62.300 0.099 0.000 1.003 391 V CB -0.724 31.133 31.823 0.056 0.000 0.634 391 V HN 0.805 nan 8.190 nan 0.000 0.444 392 E N 0.196 120.430 120.200 0.057 0.000 2.048 392 E HA -0.359 3.992 4.350 0.000 0.000 0.202 392 E C 2.314 178.908 176.600 -0.009 0.000 1.021 392 E CA 2.404 58.818 56.400 0.023 0.000 0.825 392 E CB -0.244 29.465 29.700 0.016 0.000 0.756 392 E HN 0.542 nan 8.360 nan 0.000 0.454 393 K N -0.954 119.432 120.400 -0.024 0.000 2.057 393 K HA -0.125 4.195 4.320 0.000 0.000 0.207 393 K C 1.372 177.764 176.600 -0.348 0.000 1.049 393 K CA 1.556 57.717 56.287 -0.211 0.000 0.931 393 K CB -0.073 32.259 32.500 -0.279 0.000 0.714 393 K HN 0.163 nan 8.250 nan 0.000 0.440 394 F N 0.148 120.112 119.950 0.023 0.000 2.682 394 F HA 0.312 4.840 4.527 0.001 0.000 0.308 394 F C 0.281 176.091 175.800 0.017 0.000 1.093 394 F CA 0.195 58.209 58.000 0.022 0.000 1.244 394 F CB 1.472 40.490 39.000 0.029 0.000 1.052 394 F HN 0.179 nan 8.300 nan 0.000 0.573 395 G N 1.442 110.323 108.800 0.136 0.000 3.153 395 G HA2 -0.202 3.758 3.960 0.000 0.000 0.686 395 G HA3 -0.202 3.758 3.960 0.000 0.000 0.686 395 G C 0.513 175.464 174.900 0.085 0.000 0.995 395 G CA -0.210 44.943 45.100 0.088 0.000 0.783 395 G HN 0.140 nan 8.290 nan 0.000 0.551 396 E N 0.926 121.158 120.200 0.053 0.000 2.054 396 E HA -0.262 4.089 4.350 0.000 0.000 0.225 396 E C 2.165 178.782 176.600 0.028 0.000 1.048 396 E CA 1.911 58.333 56.400 0.036 0.000 0.899 396 E CB -0.034 29.677 29.700 0.019 0.000 0.801 396 E HN 0.843 nan 8.360 nan 0.000 0.495 397 E N 0.594 120.806 120.200 0.020 0.000 2.512 397 E HA -0.106 4.244 4.350 0.000 0.000 0.195 397 E C 0.758 177.368 176.600 0.016 0.000 1.083 397 E CA 0.303 56.708 56.400 0.009 0.000 0.873 397 E CB -0.330 29.371 29.700 0.002 0.000 0.897 397 E HN 0.135 nan 8.360 nan 0.000 0.514 398 N N 0.464 119.187 118.700 0.037 0.000 2.422 398 N HA 0.057 4.797 4.740 0.000 0.000 0.181 398 N C 0.086 175.610 175.510 0.024 0.000 1.080 398 N CA 0.198 53.274 53.050 0.043 0.000 0.893 398 N CB 0.351 38.890 38.487 0.087 0.000 0.973 398 N HN 0.210 nan 8.380 nan 0.000 0.456 399 I N 1.098 121.681 120.570 0.022 0.000 2.353 399 I HA 0.232 4.403 4.170 0.000 0.000 0.293 399 I C 0.244 176.345 176.117 -0.027 0.000 0.992 399 I CA -0.580 60.722 61.300 0.004 0.000 1.268 399 I CB 1.297 39.313 38.000 0.028 0.000 1.387 399 I HN -0.095 nan 8.210 nan 0.000 0.478 400 E N 4.958 125.139 120.200 -0.031 0.000 2.210 400 E HA 0.551 4.901 4.350 0.000 0.000 0.266 400 E C -1.572 174.974 176.600 -0.090 0.000 0.883 400 E CA -0.512 55.830 56.400 -0.098 0.000 0.761 400 E CB 1.882 31.528 29.700 -0.089 0.000 1.156 400 E HN 0.272 nan 8.360 nan 0.000 0.412 401 V N 5.632 125.423 119.914 -0.206 0.000 2.349 401 V HA 0.326 4.446 4.120 0.000 0.000 0.284 401 V C -1.065 174.867 176.094 -0.269 0.000 1.014 401 V CA -0.734 61.473 62.300 -0.155 0.000 0.826 401 V CB 0.348 32.063 31.823 -0.180 0.000 1.009 401 V HN 0.614 nan 8.190 nan 0.000 0.431 402 Y N 4.907 125.165 120.300 -0.071 0.000 2.336 402 Y HA 0.614 5.164 4.550 0.000 0.000 0.335 402 Y C 0.682 176.561 175.900 -0.035 0.000 1.046 402 Y CA -0.329 57.744 58.100 -0.044 0.000 1.198 402 Y CB 0.666 39.108 38.460 -0.031 0.000 1.182 402 Y HN 0.841 nan 8.280 nan 0.000 0.502 403 H N -0.839 118.168 119.070 -0.105 0.000 3.037 403 H HA 0.822 5.378 4.556 0.000 0.000 0.355 403 H C -1.390 173.722 175.328 -0.360 0.000 1.263 403 H CA -1.124 54.725 56.048 -0.332 0.000 1.129 403 H CB 2.157 31.743 29.762 -0.293 0.000 1.861 403 H HN 0.539 nan 8.280 nan 0.000 0.546 404 S N 1.636 116.898 115.700 -0.730 0.000 2.580 404 S HA 0.347 4.818 4.470 0.000 0.000 0.281 404 S C -1.785 172.520 174.600 -0.491 0.000 1.129 404 S CA -0.877 57.000 58.200 -0.539 0.000 0.862 404 S CB 0.739 63.790 63.200 -0.247 0.000 1.090 404 S HN 0.484 nan 8.310 nan 0.000 0.451 405 F N 2.983 122.873 119.950 -0.101 0.000 2.378 405 F HA 0.727 5.254 4.527 0.000 0.000 0.319 405 F C 0.376 176.227 175.800 0.086 0.000 1.155 405 F CA -0.080 57.911 58.000 -0.016 0.000 1.157 405 F CB 0.937 39.922 39.000 -0.025 0.000 1.252 405 F HN 0.652 nan 8.300 nan 0.000 0.550 406 F N -0.705 119.356 119.950 0.185 0.000 2.686 406 F HA 0.530 5.057 4.527 0.000 0.000 0.311 406 F C -2.091 173.817 175.800 0.180 0.000 1.128 406 F CA -1.630 56.436 58.000 0.110 0.000 0.946 406 F CB 1.038 40.032 39.000 -0.009 0.000 1.336 406 F HN 0.367 nan 8.300 nan 0.000 0.457 407 W N 4.176 125.530 121.300 0.090 0.000 2.463 407 W HA 0.651 5.311 4.660 0.000 0.000 0.316 407 W C -2.927 173.538 176.519 -0.090 0.000 1.004 407 W CA -3.337 53.981 57.345 -0.044 0.000 1.309 407 W CB 1.274 30.758 29.460 0.040 0.000 1.288 407 W HN 0.334 nan 8.180 nan 0.000 0.423 408 P HA -0.115 nan 4.420 nan 0.000 0.260 408 P C 1.141 178.161 177.300 -0.468 0.000 1.185 408 P CA 0.113 62.939 63.100 -0.458 0.000 0.763 408 P CB 0.603 31.660 31.700 -1.072 0.000 0.776 409 L N 4.551 125.594 121.223 -0.300 0.000 2.103 409 L HA -0.265 4.075 4.340 0.000 0.000 0.215 409 L C 1.706 178.465 176.870 -0.185 0.000 1.080 409 L CA 2.042 56.718 54.840 -0.273 0.000 0.764 409 L CB -0.829 41.129 42.059 -0.168 0.000 0.890 409 L HN 0.311 nan 8.230 nan 0.000 0.435 410 E N -1.567 118.577 120.200 -0.093 0.000 2.396 410 E HA -0.219 4.132 4.350 0.000 0.000 0.200 410 E C 1.395 178.257 176.600 0.436 0.000 1.023 410 E CA 1.172 57.672 56.400 0.167 0.000 0.857 410 E CB -0.221 29.583 29.700 0.174 0.000 0.775 410 E HN 0.623 nan 8.360 nan 0.000 0.525 411 W N -0.710 120.530 121.300 -0.101 0.000 2.993 411 W HA 0.167 4.827 4.660 0.000 0.000 0.290 411 W C 2.072 178.473 176.519 -0.198 0.000 1.203 411 W CA 0.698 58.020 57.345 -0.038 0.000 1.582 411 W CB -0.985 28.540 29.460 0.108 0.000 1.033 411 W HN 0.116 nan 8.180 nan 0.000 0.594 412 T N -1.831 112.462 114.554 -0.436 0.000 2.684 412 T HA -0.187 4.163 4.350 0.000 0.000 0.267 412 T C 1.858 176.472 174.700 -0.143 0.000 1.036 412 T CA 1.885 63.616 62.100 -0.616 0.000 1.148 412 T CB -0.861 67.553 68.868 -0.756 0.000 0.863 412 T HN -0.112 nan 8.240 nan 0.000 0.436 413 V N 3.042 122.866 119.914 -0.150 0.000 2.358 413 V HA -0.022 4.099 4.120 0.000 0.000 0.246 413 V C -0.222 175.794 176.094 -0.129 0.000 1.047 413 V CA 1.762 63.911 62.300 -0.251 0.000 1.035 413 V CB -1.323 30.064 31.823 -0.727 0.000 0.658 413 V HN 0.451 nan 8.190 nan 0.000 0.452 414 P HA -0.039 nan 4.420 nan 0.000 0.226 414 P C 0.653 178.031 177.300 0.131 0.000 1.153 414 P CA 1.100 64.268 63.100 0.112 0.000 0.777 414 P CB -0.053 31.761 31.700 0.189 0.000 0.794 415 S N -0.250 115.563 115.700 0.188 0.000 3.766 415 S HA -0.170 4.300 4.470 0.000 0.000 0.416 415 S C -0.021 174.759 174.600 0.300 0.000 0.902 415 S CA 0.397 58.767 58.200 0.282 0.000 1.283 415 S CB -1.640 61.662 63.200 0.170 0.000 0.891 415 S HN 0.498 nan 8.310 nan 0.000 0.556 416 R N 0.352 121.105 120.500 0.422 0.000 2.707 416 R HA 0.680 5.020 4.340 0.000 0.000 0.272 416 R C -0.631 175.925 176.300 0.426 0.000 1.011 416 R CA -0.469 55.802 56.100 0.285 0.000 0.893 416 R CB 0.473 30.843 30.300 0.118 0.000 1.233 416 R HN 0.057 nan 8.270 nan 0.000 0.464 417 D N 0.166 120.699 120.400 0.222 0.000 2.772 417 D HA -0.190 4.450 4.640 0.000 0.000 0.233 417 D C -0.639 175.798 176.300 0.228 0.000 1.143 417 D CA 1.144 55.294 54.000 0.249 0.000 0.700 417 D CB -0.832 40.093 40.800 0.207 0.000 1.076 417 D HN 0.676 nan 8.370 nan 0.000 0.430 418 N N 1.243 119.750 118.700 -0.322 0.000 2.416 418 N HA -0.016 4.724 4.740 0.000 0.000 0.246 418 N C 0.452 175.682 175.510 -0.467 0.000 1.260 418 N CA 0.306 52.736 53.050 -1.033 0.000 0.897 418 N CB 0.324 37.880 38.487 -1.550 0.000 1.110 418 N HN 0.046 nan 8.380 nan 0.000 0.439 419 N N 0.518 118.972 118.700 -0.410 0.000 2.716 419 N HA -0.186 4.554 4.740 0.000 0.000 0.250 419 N C -0.348 174.946 175.510 -0.359 0.000 1.033 419 N CA 0.606 53.411 53.050 -0.408 0.000 0.727 419 N CB -0.338 37.804 38.487 -0.576 0.000 0.950 419 N HN 0.643 nan 8.380 nan 0.000 0.541 420 K N -1.351 119.009 120.400 -0.066 0.000 2.403 420 K HA 0.212 4.532 4.320 0.000 0.000 0.199 420 K C 0.670 177.341 176.600 0.119 0.000 1.199 420 K CA 0.259 56.590 56.287 0.073 0.000 0.924 420 K CB 0.206 32.838 32.500 0.220 0.000 1.137 420 K HN 0.218 nan 8.250 nan 0.000 0.510 421 C N 2.158 121.411 119.300 -0.078 0.000 2.644 421 C HA 0.302 4.763 4.460 0.000 0.000 0.417 421 C C 0.103 174.851 174.990 -0.404 0.000 1.304 421 C CA -0.381 58.350 59.018 -0.478 0.000 2.035 421 C CB -1.250 25.685 27.740 -1.341 0.000 2.673 421 C HN 0.413 nan 8.230 nan 0.000 0.602 422 Y N 1.167 121.255 120.300 -0.354 0.000 2.442 422 Y HA 0.581 5.131 4.550 0.000 0.000 0.330 422 Y C -0.463 175.447 175.900 0.016 0.000 1.100 422 Y CA -0.349 57.637 58.100 -0.190 0.000 1.034 422 Y CB 0.726 39.004 38.460 -0.303 0.000 1.285 422 Y HN 0.862 nan 8.280 nan 0.000 0.440 423 A N 5.692 128.194 122.820 -0.529 0.000 2.356 423 A HA 0.906 5.226 4.320 0.000 0.000 0.323 423 A C -1.515 175.541 177.584 -0.880 0.000 1.119 423 A CA -0.823 50.845 52.037 -0.615 0.000 0.790 423 A CB 1.413 19.772 19.000 -1.068 0.000 1.273 423 A HN 0.747 nan 8.150 nan 0.000 0.452 424 K N -0.398 119.724 120.400 -0.464 0.000 2.546 424 K HA 0.708 5.028 4.320 0.000 0.000 0.264 424 K C -1.162 175.450 176.600 0.021 0.000 0.937 424 K CA -0.794 55.354 56.287 -0.232 0.000 0.833 424 K CB 1.835 34.284 32.500 -0.085 0.000 1.378 424 K HN 0.909 nan 8.250 nan 0.000 0.432 425 V N -0.379 119.589 119.914 0.091 0.000 2.581 425 V HA 0.647 4.768 4.120 0.000 0.000 0.303 425 V C -0.407 175.801 176.094 0.191 0.000 1.041 425 V CA -0.915 61.496 62.300 0.186 0.000 0.907 425 V CB 1.207 33.149 31.823 0.198 0.000 0.994 425 V HN 0.805 nan 8.190 nan 0.000 0.442 426 I N 3.249 123.937 120.570 0.197 0.000 2.339 426 I HA 0.513 4.684 4.170 0.000 0.000 0.290 426 I C -0.396 175.786 176.117 0.109 0.000 0.994 426 I CA -0.000 61.387 61.300 0.146 0.000 1.191 426 I CB 1.337 39.430 38.000 0.155 0.000 1.343 426 I HN 0.682 nan 8.210 nan 0.000 0.458 427 C N 4.834 124.191 119.300 0.096 0.000 2.456 427 C HA 0.323 4.783 4.460 0.000 0.000 0.325 427 C C 0.327 175.299 174.990 -0.031 0.000 1.217 427 C CA -0.882 58.170 59.018 0.057 0.000 1.687 427 C CB 1.235 29.072 27.740 0.161 0.000 2.270 427 C HN 0.729 nan 8.230 nan 0.000 0.499 428 N N 2.093 120.718 118.700 -0.125 0.000 2.462 428 N HA 0.264 5.004 4.740 0.000 0.000 0.242 428 N C 0.733 176.182 175.510 -0.103 0.000 1.010 428 N CA -0.485 52.429 53.050 -0.226 0.000 0.939 428 N CB 0.584 38.752 38.487 -0.532 0.000 1.127 428 N HN 0.631 nan 8.380 nan 0.000 0.509 429 L N 3.037 124.233 121.223 -0.045 0.000 2.083 429 L HA -0.105 4.235 4.340 0.000 0.000 0.209 429 L C 1.899 178.768 176.870 -0.003 0.000 1.083 429 L CA 0.905 55.742 54.840 -0.005 0.000 0.752 429 L CB -0.166 41.899 42.059 0.009 0.000 0.899 429 L HN 0.470 nan 8.230 nan 0.000 0.433 430 K N -0.191 120.209 120.400 -0.000 0.000 2.643 430 K HA -0.073 4.247 4.320 0.000 0.000 0.193 430 K C 0.221 176.830 176.600 0.014 0.000 1.027 430 K CA 0.657 56.960 56.287 0.026 0.000 1.033 430 K CB -0.362 32.184 32.500 0.076 0.000 0.827 430 K HN 0.186 nan 8.250 nan 0.000 0.500 431 D N -0.248 120.142 120.400 -0.018 0.000 2.704 431 D HA 0.054 4.694 4.640 0.000 0.000 0.291 431 D C -0.689 175.599 176.300 -0.021 0.000 1.610 431 D CA -0.097 53.889 54.000 -0.023 0.000 0.807 431 D CB -0.054 40.703 40.800 -0.072 0.000 1.233 431 D HN -0.068 nan 8.370 nan 0.000 0.445 432 N N 1.531 120.226 118.700 -0.008 0.000 2.829 432 N HA -0.191 4.550 4.740 0.000 0.000 0.250 432 N C -0.880 174.628 175.510 -0.003 0.000 1.090 432 N CA 1.179 54.228 53.050 -0.002 0.000 0.781 432 N CB -1.082 37.404 38.487 -0.002 0.000 1.124 432 N HN 0.548 nan 8.380 nan 0.000 0.559 433 E N -1.282 118.914 120.200 -0.006 0.000 2.246 433 E HA -0.273 4.078 4.350 0.000 0.000 0.211 433 E C 0.041 176.633 176.600 -0.014 0.000 1.278 433 E CA 0.548 56.952 56.400 0.006 0.000 0.694 433 E CB -0.700 29.030 29.700 0.049 0.000 1.166 433 E HN 0.332 nan 8.360 nan 0.000 0.370 434 R N 0.544 121.016 120.500 -0.047 0.000 2.484 434 R HA 0.099 4.439 4.340 0.000 0.000 0.293 434 R C -0.291 175.992 176.300 -0.030 0.000 1.023 434 R CA 0.049 56.122 56.100 -0.045 0.000 1.037 434 R CB 0.723 30.976 30.300 -0.078 0.000 0.951 434 R HN 0.100 nan 8.270 nan 0.000 0.418 435 V N 7.656 127.579 119.914 0.016 0.000 2.359 435 V HA -0.021 4.099 4.120 0.000 0.000 0.248 435 V C 1.137 177.264 176.094 0.055 0.000 1.091 435 V CA 0.322 62.659 62.300 0.063 0.000 1.103 435 V CB 0.273 32.165 31.823 0.115 0.000 1.176 435 V HN 0.786 nan 8.190 nan 0.000 0.488 436 V N 1.795 121.727 119.914 0.030 0.000 3.649 436 V HA 0.570 4.690 4.120 0.000 0.000 0.275 436 V C 0.836 177.001 176.094 0.118 0.000 1.281 436 V CA 0.673 62.998 62.300 0.041 0.000 1.143 436 V CB -0.144 31.650 31.823 -0.049 0.000 0.892 436 V HN 0.699 nan 8.190 nan 0.000 0.441 437 G N -0.315 108.582 108.800 0.162 0.000 2.746 437 G HA2 0.616 4.577 3.960 0.000 0.000 0.297 437 G HA3 0.616 4.577 3.960 0.000 0.000 0.297 437 G C -1.956 173.118 174.900 0.289 0.000 1.426 437 G CA -0.601 44.646 45.100 0.245 0.000 0.989 437 G HN 0.237 nan 8.290 nan 0.000 0.520 438 F N 1.881 121.811 119.950 -0.034 0.000 2.573 438 F HA 0.718 5.245 4.527 0.001 0.000 0.316 438 F C -1.332 174.287 175.800 -0.301 0.000 1.148 438 F CA -0.666 57.290 58.000 -0.073 0.000 0.940 438 F CB 1.989 40.866 39.000 -0.205 0.000 1.214 438 F HN 0.584 nan 8.300 nan 0.000 0.448 439 H N 3.805 122.723 119.070 -0.254 0.000 2.954 439 H HA 0.692 5.248 4.556 0.000 0.000 0.361 439 H C -1.549 173.804 175.328 0.042 0.000 1.122 439 H CA -0.952 55.145 56.048 0.082 0.000 1.217 439 H CB 2.218 32.130 29.762 0.249 0.000 1.776 439 H HN 0.547 nan 8.280 nan 0.000 0.533 440 V N 3.987 124.113 119.914 0.354 0.000 2.711 440 V HA 0.470 4.591 4.120 0.000 0.000 0.304 440 V C -1.794 174.555 176.094 0.426 0.000 1.097 440 V CA -0.724 61.798 62.300 0.369 0.000 0.906 440 V CB 1.720 33.781 31.823 0.396 0.000 1.015 440 V HN 0.619 nan 8.190 nan 0.000 0.427 441 L N 7.459 128.885 121.223 0.337 0.000 2.294 441 L HA 1.058 5.398 4.340 0.000 0.000 0.283 441 L C 0.073 177.050 176.870 0.180 0.000 1.015 441 L CA 1.120 56.098 54.840 0.229 0.000 0.831 441 L CB 0.872 42.988 42.059 0.095 0.000 1.217 441 L HN 1.036 nan 8.230 nan 0.000 0.420 442 G N 4.358 113.287 108.800 0.214 0.000 2.342 442 G HA2 0.379 4.340 3.960 0.000 0.000 0.297 442 G HA3 0.379 4.340 3.960 0.000 0.000 0.297 442 G C -3.395 171.651 174.900 0.244 0.000 1.313 442 G CA -0.683 44.535 45.100 0.197 0.000 0.830 442 G HN 0.392 nan 8.290 nan 0.000 0.506 443 P HA 0.183 nan 4.420 nan 0.000 0.272 443 P C -0.223 177.211 177.300 0.224 0.000 1.230 443 P CA -0.017 63.246 63.100 0.272 0.000 0.788 443 P CB 0.403 32.272 31.700 0.282 0.000 0.949 444 N N -0.377 118.459 118.700 0.226 0.000 2.710 444 N HA -0.238 4.502 4.740 0.000 0.000 0.249 444 N C 1.082 176.703 175.510 0.186 0.000 1.059 444 N CA 0.982 54.149 53.050 0.196 0.000 0.720 444 N CB -1.682 36.889 38.487 0.140 0.000 0.983 444 N HN 0.598 nan 8.380 nan 0.000 0.544 445 A N -0.019 122.916 122.820 0.192 0.000 2.024 445 A HA -0.000 4.320 4.320 0.000 0.000 0.220 445 A C 2.278 179.923 177.584 0.101 0.000 1.164 445 A CA 2.082 54.212 52.037 0.155 0.000 0.643 445 A CB -0.658 18.413 19.000 0.118 0.000 0.806 445 A HN 0.541 nan 8.150 nan 0.000 0.451 446 G N -0.174 108.688 108.800 0.103 0.000 2.404 446 G HA2 -0.183 3.778 3.960 0.000 0.000 0.215 446 G HA3 -0.183 3.778 3.960 0.000 0.000 0.215 446 G C 1.354 176.301 174.900 0.078 0.000 1.174 446 G CA 0.907 46.057 45.100 0.083 0.000 0.780 446 G HN 0.537 nan 8.290 nan 0.000 0.537 447 E N 0.635 120.895 120.200 0.100 0.000 2.110 447 E HA -0.085 4.265 4.350 0.000 0.000 0.193 447 E C 2.836 179.478 176.600 0.070 0.000 0.988 447 E CA 0.794 57.235 56.400 0.069 0.000 0.804 447 E CB -0.719 29.023 29.700 0.069 0.000 0.745 447 E HN 0.327 nan 8.360 nan 0.000 0.458 448 V N 1.707 121.689 119.914 0.112 0.000 2.261 448 V HA -0.247 3.873 4.120 0.000 0.000 0.246 448 V C 2.443 178.636 176.094 0.166 0.000 1.047 448 V CA 2.311 64.712 62.300 0.168 0.000 1.015 448 V CB -0.965 30.983 31.823 0.208 0.000 0.642 448 V HN 0.286 nan 8.190 nan 0.000 0.446 449 T N -1.005 113.601 114.554 0.086 0.000 2.708 449 T HA -0.268 4.082 4.350 0.000 0.000 0.266 449 T C 1.860 176.467 174.700 -0.156 0.000 1.037 449 T CA 1.754 63.809 62.100 -0.074 0.000 1.146 449 T CB -0.283 68.559 68.868 -0.043 0.000 0.865 449 T HN 0.407 nan 8.240 nan 0.000 0.435 450 Q N 1.202 120.949 119.800 -0.088 0.000 1.991 450 Q HA -0.169 4.172 4.340 0.000 0.000 0.213 450 Q C 2.449 178.351 176.000 -0.164 0.000 1.022 450 Q CA 2.536 58.273 55.803 -0.111 0.000 0.877 450 Q CB -1.283 27.414 28.738 -0.069 0.000 0.970 450 Q HN 0.514 nan 8.270 nan 0.000 0.414 451 G N -1.131 107.562 108.800 -0.179 0.000 2.513 451 G HA2 -0.288 3.673 3.960 0.000 0.000 0.219 451 G HA3 -0.288 3.673 3.960 0.000 0.000 0.219 451 G C 1.210 175.866 174.900 -0.407 0.000 1.160 451 G CA 1.165 46.088 45.100 -0.295 0.000 0.767 451 G HN 0.427 nan 8.290 nan 0.000 0.571 452 F N 1.589 121.278 119.950 -0.436 0.000 2.293 452 F HA 0.133 4.660 4.527 0.000 0.000 0.300 452 F C 2.974 178.467 175.800 -0.511 0.000 1.086 452 F CA 0.708 58.354 58.000 -0.590 0.000 1.375 452 F CB -0.188 38.091 39.000 -1.201 0.000 1.045 452 F HN 0.250 nan 8.300 nan 0.000 0.516 453 A N 0.195 122.835 122.820 -0.300 0.000 1.877 453 A HA -0.081 4.240 4.320 0.000 0.000 0.216 453 A C 2.449 179.936 177.584 -0.161 0.000 1.186 453 A CA 1.680 53.584 52.037 -0.222 0.000 0.620 453 A CB -1.279 17.608 19.000 -0.189 0.000 0.822 453 A HN 0.292 nan 8.150 nan 0.000 0.443 454 A N -0.017 122.703 122.820 -0.166 0.000 1.908 454 A HA 0.096 4.416 4.320 0.000 0.000 0.218 454 A C 2.510 180.014 177.584 -0.134 0.000 1.181 454 A CA 2.286 54.239 52.037 -0.139 0.000 0.627 454 A CB -1.095 17.817 19.000 -0.146 0.000 0.818 454 A HN 1.146 nan 8.150 nan 0.000 0.445 455 A N -0.980 121.737 122.820 -0.173 0.000 1.978 455 A HA -0.031 4.289 4.320 0.000 0.000 0.220 455 A C 2.034 179.572 177.584 -0.076 0.000 1.170 455 A CA 1.720 53.675 52.037 -0.136 0.000 0.636 455 A CB -0.477 18.416 19.000 -0.178 0.000 0.810 455 A HN 0.417 nan 8.150 nan 0.000 0.448 456 L N -0.394 120.784 121.223 -0.076 0.000 2.109 456 L HA -0.068 4.273 4.340 0.000 0.000 0.207 456 L C 2.301 179.151 176.870 -0.034 0.000 1.086 456 L CA 1.505 56.321 54.840 -0.041 0.000 0.760 456 L CB -0.303 41.729 42.059 -0.045 0.000 0.910 456 L HN 0.200 nan 8.230 nan 0.000 0.437 457 K N -1.022 119.349 120.400 -0.049 0.000 2.280 457 K HA -0.066 4.254 4.320 0.000 0.000 0.202 457 K C 1.474 178.055 176.600 -0.032 0.000 1.047 457 K CA 0.907 57.171 56.287 -0.038 0.000 0.942 457 K CB -0.409 32.062 32.500 -0.049 0.000 0.739 457 K HN 0.373 nan 8.250 nan 0.000 0.457 458 C N 0.964 120.240 119.300 -0.040 0.000 2.559 458 C HA 0.221 4.681 4.460 0.000 0.000 0.300 458 C C 1.085 176.062 174.990 -0.021 0.000 1.288 458 C CA -0.327 58.672 59.018 -0.033 0.000 1.699 458 C CB -1.242 26.471 27.740 -0.046 0.000 1.819 458 C HN 0.605 nan 8.230 nan 0.000 0.600 459 G N 1.796 110.587 108.800 -0.014 0.000 2.366 459 G HA2 -0.272 3.688 3.960 0.000 0.000 0.299 459 G HA3 -0.272 3.688 3.960 0.000 0.000 0.299 459 G C -0.028 174.869 174.900 -0.005 0.000 1.020 459 G CA 0.301 45.399 45.100 -0.004 0.000 1.026 459 G HN 0.703 nan 8.290 nan 0.000 0.512 460 L N 1.500 122.721 121.223 -0.003 0.000 2.540 460 L HA 0.529 4.869 4.340 0.000 0.000 0.276 460 L C 1.095 177.971 176.870 0.011 0.000 1.212 460 L CA 0.953 55.796 54.840 0.006 0.000 0.893 460 L CB 0.568 42.642 42.059 0.025 0.000 1.138 460 L HN 0.591 nan 8.230 nan 0.000 0.491 461 T N 1.005 115.561 114.554 0.003 0.000 2.895 461 T HA 0.326 4.676 4.350 0.000 0.000 0.283 461 T C 0.818 175.510 174.700 -0.013 0.000 1.014 461 T CA -0.470 61.628 62.100 -0.004 0.000 1.037 461 T CB 1.583 70.445 68.868 -0.009 0.000 1.006 461 T HN 0.713 nan 8.240 nan 0.000 0.468 462 K N 1.386 121.763 120.400 -0.037 0.000 2.160 462 K HA -0.239 4.082 4.320 0.000 0.000 0.206 462 K C 2.250 178.788 176.600 -0.104 0.000 1.047 462 K CA 2.363 58.585 56.287 -0.109 0.000 0.930 462 K CB -0.409 31.962 32.500 -0.215 0.000 0.720 462 K HN 0.868 nan 8.250 nan 0.000 0.450 463 Q N -0.552 119.212 119.800 -0.060 0.000 2.311 463 Q HA -0.095 4.245 4.340 0.000 0.000 0.203 463 Q C 1.815 177.799 176.000 -0.027 0.000 0.954 463 Q CA 0.878 56.654 55.803 -0.044 0.000 0.885 463 Q CB -0.064 28.660 28.738 -0.024 0.000 0.963 463 Q HN 0.438 nan 8.270 nan 0.000 0.471 464 Q N 0.349 120.138 119.800 -0.019 0.000 2.083 464 Q HA -0.090 4.250 4.340 0.000 0.000 0.198 464 Q C 2.097 178.098 176.000 0.001 0.000 0.969 464 Q CA 1.148 56.945 55.803 -0.010 0.000 0.838 464 Q CB -0.083 28.649 28.738 -0.009 0.000 0.900 464 Q HN 0.354 nan 8.270 nan 0.000 0.436 465 L N 1.695 122.926 121.223 0.014 0.000 2.013 465 L HA -0.233 4.107 4.340 0.000 0.000 0.212 465 L C 1.351 178.241 176.870 0.034 0.000 1.073 465 L CA 2.046 56.920 54.840 0.057 0.000 0.753 465 L CB -0.550 41.560 42.059 0.086 0.000 0.890 465 L HN 0.110 nan 8.230 nan 0.000 0.432 466 D N -0.728 119.663 120.400 -0.014 0.000 2.117 466 D HA -0.159 4.482 4.640 0.000 0.000 0.197 466 D C 2.372 178.671 176.300 -0.003 0.000 0.987 466 D CA 1.612 55.600 54.000 -0.020 0.000 0.829 466 D CB -0.351 40.420 40.800 -0.049 0.000 0.961 466 D HN 0.592 nan 8.370 nan 0.000 0.460 467 S N -0.575 115.122 115.700 -0.005 0.000 2.515 467 S HA -0.043 4.428 4.470 0.000 0.000 0.231 467 S C 0.852 175.452 174.600 -0.000 0.000 0.987 467 S CA 0.192 58.389 58.200 -0.004 0.000 0.936 467 S CB -0.514 62.681 63.200 -0.008 0.000 0.766 467 S HN 0.008 nan 8.310 nan 0.000 0.528 468 T N 4.573 119.132 114.554 0.008 0.000 2.794 468 T HA 0.414 4.764 4.350 0.000 0.000 0.296 468 T C 0.095 174.807 174.700 0.021 0.000 0.949 468 T CA -0.593 61.511 62.100 0.008 0.000 1.101 468 T CB 0.463 69.339 68.868 0.013 0.000 0.905 468 T HN 0.121 nan 8.240 nan 0.000 0.516 469 I N 2.899 123.475 120.570 0.011 0.000 2.519 469 I HA 0.303 4.473 4.170 0.000 0.000 0.287 469 I C 1.369 177.505 176.117 0.033 0.000 1.047 469 I CA -0.521 60.789 61.300 0.018 0.000 1.381 469 I CB 0.214 38.219 38.000 0.007 0.000 1.417 469 I HN 0.708 nan 8.210 nan 0.000 0.540 470 G N 5.827 114.656 108.800 0.048 0.000 2.634 470 G HA2 0.506 4.467 3.960 0.000 0.000 0.255 470 G HA3 0.506 4.467 3.960 0.000 0.000 0.255 470 G C -0.241 174.695 174.900 0.061 0.000 1.205 470 G CA -0.559 44.581 45.100 0.067 0.000 0.884 470 G HN 0.529 nan 8.290 nan 0.000 0.549 471 I N -0.271 120.338 120.570 0.065 0.000 2.377 471 I HA 0.317 4.487 4.170 0.000 0.000 0.293 471 I C -0.365 175.808 176.117 0.094 0.000 0.987 471 I CA -0.654 60.685 61.300 0.065 0.000 1.185 471 I CB 1.882 39.903 38.000 0.035 0.000 1.341 471 I HN 0.571 nan 8.210 nan 0.000 0.455 472 H N 6.271 125.340 119.070 -0.001 0.000 2.637 472 H HA 0.575 5.132 4.556 0.000 0.000 0.363 472 H C -2.524 172.802 175.328 -0.002 0.000 1.131 472 H CA -1.660 54.386 56.048 -0.003 0.000 1.183 472 H CB 1.991 31.752 29.762 -0.001 0.000 1.637 472 H HN 0.369 nan 8.280 nan 0.000 0.531 473 P HA 0.330 nan 4.420 nan 0.000 0.293 473 P C -1.402 175.769 177.300 -0.215 0.000 1.313 473 P CA -0.524 62.276 63.100 -0.500 0.000 0.787 473 P CB 1.438 32.862 31.700 -0.461 0.000 0.910 474 V N 2.515 122.315 119.914 -0.191 0.000 2.969 474 V HA 0.049 4.170 4.120 0.000 0.000 0.304 474 V C 1.056 177.076 176.094 -0.123 0.000 1.192 474 V CA -0.543 61.696 62.300 -0.102 0.000 0.962 474 V CB 1.967 33.767 31.823 -0.037 0.000 1.045 474 V HN 0.693 nan 8.190 nan 0.000 0.428 475 C N 2.484 121.721 119.300 -0.106 0.000 2.413 475 C HA -0.121 4.340 4.460 0.000 0.000 0.276 475 C C 2.752 177.571 174.990 -0.285 0.000 1.236 475 C CA 1.636 60.533 59.018 -0.203 0.000 1.735 475 C CB -0.913 26.799 27.740 -0.046 0.000 2.031 475 C HN 1.046 nan 8.230 nan 0.000 0.474 476 A N 1.167 123.953 122.820 -0.056 0.000 2.024 476 A HA -0.232 4.089 4.320 0.000 0.000 0.220 476 A C 2.053 179.727 177.584 0.150 0.000 1.164 476 A CA 1.908 54.014 52.037 0.116 0.000 0.643 476 A CB -0.762 18.376 19.000 0.230 0.000 0.806 476 A HN 0.855 nan 8.150 nan 0.000 0.451 477 E N -0.197 120.024 120.200 0.035 0.000 2.219 477 E HA -0.240 4.110 4.350 0.000 0.000 0.198 477 E C 1.657 178.250 176.600 -0.011 0.000 0.998 477 E CA 1.384 57.813 56.400 0.048 0.000 0.818 477 E CB -0.578 29.138 29.700 0.027 0.000 0.741 477 E HN 0.465 nan 8.360 nan 0.000 0.477 478 I N 0.664 121.120 120.570 -0.188 0.000 2.381 478 I HA -0.255 3.915 4.170 0.000 0.000 0.255 478 I C 1.524 177.461 176.117 -0.301 0.000 1.140 478 I CA 1.284 62.388 61.300 -0.326 0.000 1.404 478 I CB -0.298 37.293 38.000 -0.681 0.000 1.075 478 I HN 0.104 nan 8.210 nan 0.000 0.433 479 F N 0.142 119.990 119.950 -0.170 0.000 2.502 479 F HA -0.104 4.424 4.527 0.001 0.000 0.298 479 F C 2.569 178.357 175.800 -0.020 0.000 1.111 479 F CA 1.406 59.322 58.000 -0.141 0.000 1.445 479 F CB -0.856 37.995 39.000 -0.248 0.000 1.081 479 F HN 0.226 nan 8.300 nan 0.000 0.558 480 T N -3.864 110.788 114.554 0.162 0.000 3.055 480 T HA -0.069 4.282 4.350 0.000 0.000 0.265 480 T C 1.267 175.989 174.700 0.036 0.000 1.111 480 T CA 1.266 63.435 62.100 0.115 0.000 1.118 480 T CB -0.602 68.328 68.868 0.103 0.000 0.909 480 T HN 0.217 nan 8.240 nan 0.000 0.501 481 T N -0.297 114.256 114.554 -0.002 0.000 3.487 481 T HA 0.462 4.812 4.350 0.000 0.000 0.287 481 T C -0.023 174.656 174.700 -0.034 0.000 1.004 481 T CA -0.659 61.432 62.100 -0.014 0.000 0.977 481 T CB -0.724 68.143 68.868 -0.002 0.000 1.180 481 T HN 0.302 nan 8.240 nan 0.000 0.490 482 L N 3.032 124.221 121.223 -0.057 0.000 2.375 482 L HA 0.335 4.675 4.340 0.000 0.000 0.276 482 L C 1.651 178.580 176.870 0.098 0.000 1.162 482 L CA -0.419 54.401 54.840 -0.033 0.000 0.991 482 L CB 0.468 42.477 42.059 -0.082 0.000 1.315 482 L HN 0.548 nan 8.230 nan 0.000 0.431 483 S N 0.749 116.522 115.700 0.122 0.000 2.475 483 S HA 0.073 4.543 4.470 0.000 0.000 0.224 483 S C 0.679 175.409 174.600 0.217 0.000 1.042 483 S CA -0.264 58.052 58.200 0.194 0.000 0.935 483 S CB 0.214 63.475 63.200 0.102 0.000 0.801 483 S HN 0.212 nan 8.310 nan 0.000 0.509 484 V N 4.442 124.441 119.914 0.140 0.000 2.439 484 V HA 0.337 4.458 4.120 0.000 0.000 0.271 484 V C 0.863 176.982 176.094 0.042 0.000 1.040 484 V CA -0.125 62.228 62.300 0.088 0.000 1.002 484 V CB 0.023 31.898 31.823 0.088 0.000 1.000 484 V HN 0.650 nan 8.190 nan 0.000 0.477 485 T N 1.584 116.065 114.554 -0.121 0.000 2.899 485 T HA 0.314 4.665 4.350 0.000 0.000 0.284 485 T C 0.929 175.487 174.700 -0.236 0.000 1.004 485 T CA -0.591 61.316 62.100 -0.322 0.000 1.043 485 T CB 1.599 70.173 68.868 -0.490 0.000 1.013 485 T HN 0.581 nan 8.240 nan 0.000 0.518 486 K N 0.361 120.512 120.400 -0.415 0.000 2.031 486 K HA -0.065 4.256 4.320 0.000 0.000 0.205 486 K C 2.579 179.058 176.600 -0.202 0.000 1.049 486 K CA 0.932 56.956 56.287 -0.439 0.000 0.939 486 K CB -0.146 32.013 32.500 -0.568 0.000 0.717 486 K HN 0.719 nan 8.250 nan 0.000 0.438 487 R N 0.668 121.053 120.500 -0.192 0.000 2.083 487 R HA -0.162 4.179 4.340 0.000 0.000 0.237 487 R C 2.151 178.397 176.300 -0.089 0.000 1.137 487 R CA 2.273 58.298 56.100 -0.124 0.000 0.951 487 R CB -0.574 29.652 30.300 -0.124 0.000 0.851 487 R HN 0.263 nan 8.270 nan 0.000 0.434 488 S N -0.787 114.854 115.700 -0.099 0.000 2.440 488 S HA -0.062 4.409 4.470 0.000 0.000 0.240 488 S C 1.656 176.240 174.600 -0.026 0.000 1.014 488 S CA 1.419 59.584 58.200 -0.058 0.000 0.980 488 S CB -0.590 62.575 63.200 -0.058 0.000 0.775 488 S HN 0.805 nan 8.310 nan 0.000 0.499 489 G N 0.422 109.211 108.800 -0.019 0.000 2.184 489 G HA2 -0.163 3.797 3.960 0.000 0.000 0.264 489 G HA3 -0.163 3.797 3.960 0.000 0.000 0.264 489 G C 0.547 175.470 174.900 0.038 0.000 0.975 489 G CA 0.275 45.381 45.100 0.011 0.000 0.642 489 G HN 1.321 nan 8.290 nan 0.000 0.536 490 G N 0.142 108.966 108.800 0.040 0.000 2.391 490 G HA2 0.365 4.326 3.960 0.000 0.000 0.234 490 G HA3 0.365 4.326 3.960 0.000 0.000 0.234 490 G C 0.080 175.023 174.900 0.071 0.000 1.284 490 G CA 0.716 45.846 45.100 0.049 0.000 0.873 490 G HN 0.591 nan 8.290 nan 0.000 0.549 491 D N 0.350 120.784 120.400 0.057 0.000 2.458 491 D HA 0.053 4.693 4.640 0.000 0.000 0.243 491 D C 1.568 177.910 176.300 0.071 0.000 1.146 491 D CA 0.090 54.128 54.000 0.064 0.000 0.877 491 D CB 0.453 41.279 40.800 0.044 0.000 1.176 491 D HN 0.333 nan 8.370 nan 0.000 0.461 492 I N 0.915 121.541 120.570 0.093 0.000 4.082 492 I HA 0.120 4.290 4.170 0.000 0.000 0.337 492 I C 1.370 177.616 176.117 0.215 0.000 1.352 492 I CA -0.536 60.819 61.300 0.091 0.000 1.097 492 I CB 0.028 37.974 38.000 -0.090 0.000 1.048 492 I HN 0.314 nan 8.210 nan 0.000 0.393 493 L N 0.936 122.257 121.223 0.164 0.000 1.908 493 L HA -0.086 4.255 4.340 0.000 0.000 0.227 493 L C 1.247 178.134 176.870 0.028 0.000 1.087 493 L CA 1.910 56.781 54.840 0.052 0.000 0.797 493 L CB -0.264 41.760 42.059 -0.059 0.000 0.893 493 L HN 0.443 nan 8.230 nan 0.000 0.432 494 Q N -0.808 118.995 119.800 0.005 0.000 3.853 494 Q HA 0.203 4.543 4.340 0.000 0.000 0.220 494 Q C -1.256 174.735 176.000 -0.015 0.000 0.826 494 Q CA 0.010 55.791 55.803 -0.037 0.000 0.821 494 Q CB 1.023 29.738 28.738 -0.037 0.000 1.546 494 Q HN 0.337 nan 8.270 nan 0.000 0.410 495 S N 0.134 115.834 115.700 -0.001 0.000 2.717 495 S HA 0.263 4.733 4.470 0.000 0.000 0.304 495 S C -0.277 174.341 174.600 0.030 0.000 0.495 495 S CA 0.152 58.360 58.200 0.014 0.000 0.607 495 S CB -0.469 62.719 63.200 -0.021 0.000 0.949 495 S HN 1.137 nan 8.310 nan 0.000 0.615 496 G N 2.690 111.542 108.800 0.088 0.000 2.502 496 G HA2 0.116 4.077 3.960 0.000 0.000 0.273 496 G HA3 0.116 4.077 3.960 0.000 0.000 0.273 496 G C 1.293 176.256 174.900 0.105 0.000 1.021 496 G CA 0.652 45.806 45.100 0.090 0.000 1.333 496 G HN 2.764 nan 8.290 nan 0.000 0.508 499 G N 0.000 108.830 108.800 0.050 0.000 5.446 499 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 499 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 499 G CA 0.000 45.124 45.100 0.040 0.000 0.502 499 G HN 0.000 nan 8.290 nan 0.000 0.925