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 2qjr_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.656 174.600 0.094 0.000 1.055 39 S CA 0.000 58.275 58.200 0.124 0.000 1.107 39 S CB 0.000 63.261 63.200 0.101 0.000 0.593 40 R N 3.050 123.610 120.500 0.100 0.000 2.271 40 R HA 0.573 4.913 4.340 0.001 0.000 0.175 40 R C 0.232 176.587 176.300 0.091 0.000 1.055 40 R CA -0.552 55.599 56.100 0.084 0.000 1.336 40 R CB -0.556 29.792 30.300 0.081 0.000 1.733 40 R HN 0.596 nan 8.270 nan 0.000 0.565 41 K N 0.637 121.095 120.400 0.098 0.000 2.276 41 K HA 0.175 4.496 4.320 0.001 0.000 0.259 41 K C -0.172 176.503 176.600 0.125 0.000 1.001 41 K CA -0.252 56.102 56.287 0.111 0.000 0.927 41 K CB 0.316 32.892 32.500 0.126 0.000 0.969 41 K HN 0.618 nan 8.250 nan 0.000 0.490 42 T N -1.285 113.351 114.554 0.137 0.000 2.912 42 T HA 0.134 4.484 4.350 0.001 0.000 0.280 42 T C -0.635 174.190 174.700 0.209 0.000 0.989 42 T CA -0.786 61.412 62.100 0.162 0.000 0.995 42 T CB 0.514 69.476 68.868 0.157 0.000 1.077 42 T HN 0.530 nan 8.240 nan 0.000 0.531 43 Y N 2.518 122.883 120.300 0.108 0.000 2.486 43 Y HA 0.378 4.929 4.550 0.001 0.000 0.348 43 Y C 0.885 176.931 175.900 0.242 0.000 1.000 43 Y CA -0.206 57.985 58.100 0.152 0.000 1.253 43 Y CB -0.176 38.338 38.460 0.089 0.000 1.140 43 Y HN 1.021 nan 8.280 nan 0.000 0.526 44 T N 2.246 116.735 114.554 -0.109 0.000 2.923 44 T HA 0.195 4.545 4.350 0.001 0.000 0.281 44 T C 0.804 175.363 174.700 -0.235 0.000 0.995 44 T CA -0.810 61.286 62.100 -0.007 0.000 0.985 44 T CB 1.241 70.101 68.868 -0.013 0.000 1.114 44 T HN 0.622 nan 8.240 nan 0.000 0.548 45 L N 0.601 121.564 121.223 -0.434 0.000 2.141 45 L HA 0.073 4.413 4.340 0.001 0.000 0.209 45 L C 2.424 179.163 176.870 -0.218 0.000 1.094 45 L CA 1.942 56.453 54.840 -0.549 0.000 0.763 45 L CB -1.401 40.179 42.059 -0.798 0.000 0.908 45 L HN 0.916 nan 8.230 nan 0.000 0.437 46 T N -0.654 113.787 114.554 -0.187 0.000 2.915 46 T HA -0.120 4.231 4.350 0.001 0.000 0.269 46 T C 1.396 176.012 174.700 -0.141 0.000 1.071 46 T CA 1.390 63.410 62.100 -0.133 0.000 1.132 46 T CB -0.296 68.513 68.868 -0.098 0.000 0.878 46 T HN 0.396 nan 8.240 nan 0.000 0.479 47 D N -0.006 120.270 120.400 -0.207 0.000 2.137 47 D HA -0.017 4.623 4.640 0.001 0.000 0.202 47 D C 1.713 177.933 176.300 -0.133 0.000 0.970 47 D CA 0.733 54.604 54.000 -0.214 0.000 0.837 47 D CB -0.304 40.279 40.800 -0.363 0.000 0.981 47 D HN 0.383 nan 8.370 nan 0.000 0.475 48 Y N 1.565 121.691 120.300 -0.289 0.000 2.109 48 Y HA -0.176 4.375 4.550 0.001 0.000 0.285 48 Y C 2.036 177.949 175.900 0.021 0.000 1.131 48 Y CA 1.102 59.207 58.100 0.008 0.000 1.121 48 Y CB -0.657 37.856 38.460 0.088 0.000 0.987 48 Y HN -0.175 nan 8.280 nan 0.000 0.495 49 L N 0.863 121.883 121.223 -0.338 0.000 2.012 49 L HA -0.223 4.117 4.340 0.001 0.000 0.210 49 L C 2.096 178.855 176.870 -0.186 0.000 1.073 49 L CA 1.873 56.520 54.840 -0.323 0.000 0.748 49 L CB -0.868 41.087 42.059 -0.173 0.000 0.891 49 L HN 0.142 nan 8.230 nan 0.000 0.431 50 K N -0.435 119.886 120.400 -0.131 0.000 2.458 50 K HA 0.080 4.400 4.320 0.001 0.000 0.194 50 K C 0.254 176.805 176.600 -0.082 0.000 1.024 50 K CA -0.085 56.145 56.287 -0.094 0.000 1.108 50 K CB -0.367 32.085 32.500 -0.080 0.000 0.846 50 K HN 0.365 nan 8.250 nan 0.000 0.518 51 N N 1.316 119.974 118.700 -0.070 0.000 2.758 51 N HA -0.158 4.582 4.740 0.001 0.000 0.248 51 N C 0.179 175.675 175.510 -0.024 0.000 1.076 51 N CA 0.686 53.730 53.050 -0.012 0.000 0.696 51 N CB -0.680 37.791 38.487 -0.028 0.000 0.979 51 N HN 0.160 nan 8.380 nan 0.000 0.550 52 T N -0.842 113.667 114.554 -0.076 0.000 2.746 52 T HA -0.136 4.214 4.350 0.001 0.000 0.267 52 T C 0.360 174.852 174.700 -0.347 0.000 1.039 52 T CA 1.320 63.255 62.100 -0.275 0.000 1.142 52 T CB -0.066 68.531 68.868 -0.451 0.000 0.866 52 T HN 0.312 nan 8.240 nan 0.000 0.444 53 Y N 1.356 121.751 120.300 0.158 0.000 2.478 53 Y HA 0.502 5.053 4.550 0.001 0.000 0.329 53 Y C 0.283 176.285 175.900 0.171 0.000 0.967 53 Y CA -1.052 57.158 58.100 0.183 0.000 1.255 53 Y CB 0.614 39.240 38.460 0.277 0.000 1.103 53 Y HN -0.172 nan 8.280 nan 0.000 0.497 54 R N 3.438 124.073 120.500 0.224 0.000 2.255 54 R HA 0.474 4.815 4.340 0.001 0.000 0.326 54 R C -0.825 175.577 176.300 0.171 0.000 0.986 54 R CA -0.648 55.551 56.100 0.165 0.000 0.847 54 R CB 0.866 31.223 30.300 0.095 0.000 1.111 54 R HN 0.635 nan 8.270 nan 0.000 0.452 55 L N 4.392 125.723 121.223 0.181 0.000 2.462 55 L HA 0.111 4.452 4.340 0.001 0.000 0.272 55 L C 0.654 177.609 176.870 0.142 0.000 1.166 55 L CA 0.414 55.359 54.840 0.176 0.000 0.880 55 L CB 0.107 42.287 42.059 0.201 0.000 1.142 55 L HN 0.351 nan 8.230 nan 0.000 0.473 56 K N 4.442 124.924 120.400 0.136 0.000 2.098 56 K HA 0.658 4.979 4.320 0.001 0.000 0.261 56 K C -0.445 176.228 176.600 0.121 0.000 0.987 56 K CA -0.626 55.724 56.287 0.105 0.000 0.916 56 K CB 1.948 34.502 32.500 0.091 0.000 1.039 56 K HN 0.453 nan 8.250 nan 0.000 0.455 57 L N 0.867 122.095 121.223 0.009 0.000 2.279 57 L HA 0.440 4.780 4.340 0.001 0.000 0.262 57 L C -1.053 175.567 176.870 -0.416 0.000 1.019 57 L CA -1.130 53.601 54.840 -0.181 0.000 0.823 57 L CB 1.248 43.276 42.059 -0.050 0.000 1.358 57 L HN 0.535 nan 8.230 nan 0.000 0.432 58 Y N 0.944 120.648 120.300 -0.992 0.000 2.609 58 Y HA 0.266 4.817 4.550 0.001 0.000 0.350 58 Y C -0.160 175.514 175.900 -0.376 0.000 1.050 58 Y CA -0.517 57.209 58.100 -0.623 0.000 1.290 58 Y CB 1.553 39.555 38.460 -0.763 0.000 1.094 58 Y HN 0.449 nan 8.280 nan 0.000 0.583 59 S N 7.420 123.016 115.700 -0.174 0.000 2.410 59 S HA 0.652 5.123 4.470 0.001 0.000 0.304 59 S C -0.769 173.805 174.600 -0.044 0.000 1.095 59 S CA -0.640 57.520 58.200 -0.067 0.000 1.089 59 S CB -0.193 62.986 63.200 -0.036 0.000 0.968 59 S HN 0.681 nan 8.310 nan 0.000 0.480 60 L N 2.732 123.894 121.223 -0.101 0.000 2.301 60 L HA 0.766 5.107 4.340 0.001 0.000 0.264 60 L C -0.728 176.061 176.870 -0.135 0.000 1.016 60 L CA -1.133 53.605 54.840 -0.169 0.000 0.821 60 L CB 1.885 43.568 42.059 -0.628 0.000 1.346 60 L HN 0.785 nan 8.230 nan 0.000 0.429 61 R N 1.245 121.698 120.500 -0.078 0.000 2.483 61 R HA 0.378 4.719 4.340 0.001 0.000 0.303 61 R C -1.720 174.600 176.300 0.034 0.000 0.987 61 R CA -0.512 55.593 56.100 0.009 0.000 0.881 61 R CB 1.153 31.507 30.300 0.089 0.000 1.177 61 R HN 0.768 nan 8.270 nan 0.000 0.451 62 W N 5.623 127.019 121.300 0.159 0.000 2.264 62 W HA 0.121 4.781 4.660 0.001 0.000 0.331 62 W C 1.386 177.983 176.519 0.129 0.000 1.364 62 W CA -0.348 57.102 57.345 0.176 0.000 1.253 62 W CB 0.538 30.100 29.460 0.170 0.000 1.215 62 W HN 0.633 nan 8.180 nan 0.000 0.561 63 I N 0.455 121.225 120.570 0.333 0.000 4.082 63 I HA 0.363 4.533 4.170 0.001 0.000 0.337 63 I C 0.571 176.780 176.117 0.154 0.000 1.352 63 I CA -0.072 61.330 61.300 0.169 0.000 1.097 63 I CB -0.151 37.869 38.000 0.033 0.000 1.048 63 I HN 0.238 nan 8.210 nan 0.000 0.393 64 S N -0.700 115.140 115.700 0.234 0.000 2.680 64 S HA 0.214 4.685 4.470 0.001 0.000 0.276 64 S C -0.273 174.472 174.600 0.242 0.000 1.189 64 S CA -0.128 58.183 58.200 0.186 0.000 0.909 64 S CB 0.796 64.054 63.200 0.097 0.000 1.227 64 S HN 0.063 nan 8.310 nan 0.000 0.501 65 D N -0.197 120.359 120.400 0.260 0.000 2.355 65 D HA 0.160 4.800 4.640 0.001 0.000 0.218 65 D C 1.088 177.650 176.300 0.436 0.000 1.004 65 D CA 1.448 55.596 54.000 0.246 0.000 0.880 65 D CB -0.173 40.755 40.800 0.214 0.000 0.911 65 D HN 0.755 nan 8.370 nan 0.000 0.528 66 H N -3.389 115.883 119.070 0.337 0.000 3.540 66 H HA 0.468 5.025 4.556 0.001 0.000 0.259 66 H C -0.189 175.328 175.328 0.314 0.000 1.197 66 H CA -0.572 55.698 56.048 0.371 0.000 1.136 66 H CB 0.384 30.329 29.762 0.305 0.000 1.605 66 H HN -0.120 nan 8.280 nan 0.000 0.657 67 E N 1.157 121.400 120.200 0.071 0.000 2.288 67 E HA 0.310 4.660 4.350 0.001 0.000 0.268 67 E C -1.550 175.147 176.600 0.162 0.000 0.885 67 E CA -1.406 54.970 56.400 -0.039 0.000 0.767 67 E CB 2.663 32.191 29.700 -0.286 0.000 1.220 67 E HN 0.370 nan 8.360 nan 0.000 0.427 68 Y N -0.691 119.566 120.300 -0.072 0.000 2.605 68 Y HA 0.632 5.183 4.550 0.001 0.000 0.343 68 Y C -1.186 174.693 175.900 -0.035 0.000 1.036 68 Y CA -1.410 56.588 58.100 -0.171 0.000 1.065 68 Y CB 0.657 38.728 38.460 -0.648 0.000 1.288 68 Y HN 0.298 nan 8.280 nan 0.000 0.481 69 L N 2.831 124.155 121.223 0.169 0.000 2.350 69 L HA 0.436 4.777 4.340 0.001 0.000 0.275 69 L C -1.020 176.069 176.870 0.364 0.000 1.099 69 L CA -0.612 54.335 54.840 0.178 0.000 0.808 69 L CB 0.926 43.037 42.059 0.085 0.000 1.149 69 L HN 0.760 nan 8.230 nan 0.000 0.442 70 Y N 2.207 122.627 120.300 0.199 0.000 2.519 70 Y HA 0.387 4.938 4.550 0.001 0.000 0.336 70 Y C -1.029 174.927 175.900 0.094 0.000 1.089 70 Y CA -1.383 56.776 58.100 0.097 0.000 1.025 70 Y CB 1.609 40.099 38.460 0.051 0.000 1.318 70 Y HN 0.430 nan 8.280 nan 0.000 0.452 71 K N 4.059 123.926 120.400 -0.889 0.000 2.263 71 K HA 0.330 4.650 4.320 0.001 0.000 0.272 71 K C -1.046 175.025 176.600 -0.882 0.000 1.033 71 K CA -0.412 55.508 56.287 -0.612 0.000 0.884 71 K CB 0.880 33.196 32.500 -0.306 0.000 1.107 71 K HN 0.756 nan 8.250 nan 0.000 0.460 72 Q N 3.834 123.386 119.800 -0.413 0.000 2.560 72 Q HA 0.060 4.401 4.340 0.001 0.000 0.238 72 Q C -1.350 174.603 176.000 -0.079 0.000 1.079 72 Q CA -0.161 55.551 55.803 -0.153 0.000 0.866 72 Q CB 0.712 29.521 28.738 0.118 0.000 1.153 72 Q HN 0.721 nan 8.270 nan 0.000 0.530 73 E N 3.525 123.671 120.200 -0.089 0.000 2.560 73 E HA -0.308 4.043 4.350 0.001 0.000 0.158 73 E C -0.841 175.725 176.600 -0.057 0.000 1.709 73 E CA 0.208 56.575 56.400 -0.054 0.000 0.653 73 E CB -0.674 29.012 29.700 -0.022 0.000 1.090 73 E HN 0.897 nan 8.360 nan 0.000 0.355 74 N N 0.473 119.132 118.700 -0.068 0.000 2.721 74 N HA -0.208 4.533 4.740 0.001 0.000 0.249 74 N C -1.279 174.189 175.510 -0.071 0.000 1.072 74 N CA 1.587 54.600 53.050 -0.062 0.000 0.710 74 N CB -1.002 37.457 38.487 -0.045 0.000 0.993 74 N HN 0.457 nan 8.380 nan 0.000 0.547 75 N N -0.068 118.586 118.700 -0.076 0.000 2.264 75 N HA 0.517 5.257 4.740 0.001 0.000 0.288 75 N C -0.461 175.008 175.510 -0.070 0.000 1.094 75 N CA -0.455 52.551 53.050 -0.072 0.000 0.817 75 N CB 1.291 39.747 38.487 -0.052 0.000 1.604 75 N HN 0.058 nan 8.380 nan 0.000 0.473 76 I N 1.992 122.533 120.570 -0.048 0.000 2.325 76 I HA 0.297 4.468 4.170 0.001 0.000 0.291 76 I C -0.403 175.758 176.117 0.074 0.000 1.019 76 I CA -0.279 61.023 61.300 0.003 0.000 1.302 76 I CB 0.502 38.517 38.000 0.023 0.000 1.401 76 I HN 0.220 nan 8.210 nan 0.000 0.485 77 L N 6.820 128.095 121.223 0.088 0.000 2.334 77 L HA 0.576 4.917 4.340 0.001 0.000 0.273 77 L C -0.531 176.376 176.870 0.062 0.000 1.013 77 L CA -0.807 54.065 54.840 0.052 0.000 0.816 77 L CB 1.873 43.942 42.059 0.017 0.000 1.278 77 L HN 0.219 nan 8.230 nan 0.000 0.431 78 V N 2.140 121.992 119.914 -0.103 0.000 2.427 78 V HA 0.422 4.542 4.120 0.001 0.000 0.286 78 V C -0.520 175.357 176.094 -0.362 0.000 1.034 78 V CA -0.448 61.754 62.300 -0.163 0.000 0.893 78 V CB 1.180 32.885 31.823 -0.197 0.000 0.982 78 V HN 0.348 nan 8.190 nan 0.000 0.452 79 F N 2.813 122.477 119.950 -0.476 0.000 2.480 79 F HA 0.443 4.970 4.527 0.001 0.000 0.329 79 F C 0.537 176.023 175.800 -0.523 0.000 1.091 79 F CA -0.688 56.959 58.000 -0.588 0.000 0.972 79 F CB 1.465 39.816 39.000 -1.081 0.000 1.150 79 F HN 0.442 nan 8.300 nan 0.000 0.467 80 N N 1.891 120.515 118.700 -0.127 0.000 2.426 80 N HA 0.277 5.018 4.740 0.001 0.000 0.257 80 N C 0.448 175.931 175.510 -0.046 0.000 1.002 80 N CA 0.080 53.110 53.050 -0.033 0.000 0.942 80 N CB 1.790 40.328 38.487 0.085 0.000 1.112 80 N HN 0.786 nan 8.380 nan 0.000 0.499 81 A N 3.847 126.593 122.820 -0.124 0.000 1.933 81 A HA -0.165 4.156 4.320 0.001 0.000 0.218 81 A C 1.874 179.206 177.584 -0.419 0.000 1.175 81 A CA 1.456 53.307 52.037 -0.311 0.000 0.628 81 A CB -0.416 18.189 19.000 -0.660 0.000 0.814 81 A HN 0.875 nan 8.150 nan 0.000 0.444 82 E N -1.991 117.988 120.200 -0.368 0.000 2.072 82 E HA -0.171 4.180 4.350 0.001 0.000 0.190 82 E C 1.288 177.603 176.600 -0.475 0.000 0.982 82 E CA 1.338 57.516 56.400 -0.371 0.000 0.803 82 E CB -0.100 29.380 29.700 -0.367 0.000 0.755 82 E HN 0.743 nan 8.360 nan 0.000 0.453 83 Y N -1.746 118.552 120.300 -0.004 0.000 2.483 83 Y HA 0.323 4.873 4.550 0.001 0.000 0.258 83 Y C 1.468 177.368 175.900 0.001 0.000 1.083 83 Y CA 0.388 58.491 58.100 0.004 0.000 1.283 83 Y CB 1.408 39.874 38.460 0.010 0.000 1.178 83 Y HN 0.204 nan 8.280 nan 0.000 0.515 84 G N 1.192 110.074 108.800 0.136 0.000 2.159 84 G HA2 -0.325 3.635 3.960 0.001 0.000 0.256 84 G HA3 -0.325 3.635 3.960 0.001 0.000 0.256 84 G C 0.040 175.017 174.900 0.129 0.000 0.977 84 G CA 0.193 45.370 45.100 0.129 0.000 0.652 84 G HN 0.464 nan 8.290 nan 0.000 0.531 85 N N 0.616 119.364 118.700 0.080 0.000 2.416 85 N HA 0.411 5.152 4.740 0.001 0.000 0.246 85 N C 0.148 175.549 175.510 -0.180 0.000 1.260 85 N CA 0.938 53.975 53.050 -0.022 0.000 0.897 85 N CB 1.185 39.659 38.487 -0.023 0.000 1.110 85 N HN 1.026 nan 8.380 nan 0.000 0.439 86 S N -0.270 115.242 115.700 -0.314 0.000 2.661 86 S HA 0.769 5.240 4.470 0.001 0.000 0.285 86 S C -1.062 173.334 174.600 -0.340 0.000 1.138 86 S CA -0.893 56.963 58.200 -0.574 0.000 0.855 86 S CB 1.497 63.877 63.200 -1.367 0.000 1.136 86 S HN 0.657 nan 8.310 nan 0.000 0.484 87 S N 0.564 116.075 115.700 -0.314 0.000 2.536 87 S HA 0.544 5.015 4.470 0.001 0.000 0.271 87 S C -0.603 173.930 174.600 -0.113 0.000 1.134 87 S CA -0.755 57.346 58.200 -0.165 0.000 0.897 87 S CB 1.533 64.676 63.200 -0.095 0.000 1.094 87 S HN 1.494 nan 8.310 nan 0.000 0.473 88 V N 3.689 123.560 119.914 -0.072 0.000 2.529 88 V HA 0.319 4.439 4.120 0.001 0.000 0.292 88 V C 0.442 176.560 176.094 0.041 0.000 1.028 88 V CA 0.303 62.585 62.300 -0.029 0.000 1.074 88 V CB 0.156 31.947 31.823 -0.053 0.000 0.958 88 V HN 0.908 nan 8.190 nan 0.000 0.481 89 F N 6.180 126.071 119.950 -0.099 0.000 2.262 89 F HA 0.468 4.996 4.527 0.001 0.000 0.292 89 F C 0.306 176.054 175.800 -0.086 0.000 1.081 89 F CA 0.743 58.694 58.000 -0.082 0.000 1.355 89 F CB 0.496 39.459 39.000 -0.062 0.000 1.069 89 F HN 0.503 nan 8.300 nan 0.000 0.506 90 L N 0.675 121.850 121.223 -0.080 0.000 2.526 90 L HA 0.358 4.699 4.340 0.001 0.000 0.263 90 L C -1.104 175.665 176.870 -0.167 0.000 0.943 90 L CA -0.540 54.165 54.840 -0.225 0.000 0.859 90 L CB 1.713 43.633 42.059 -0.231 0.000 1.313 90 L HN -0.112 nan 8.230 nan 0.000 0.406 91 E N 2.190 122.262 120.200 -0.213 0.000 2.366 91 E HA 0.199 4.550 4.350 0.001 0.000 0.266 91 E C 0.775 177.237 176.600 -0.229 0.000 1.051 91 E CA 0.026 56.312 56.400 -0.188 0.000 0.884 91 E CB 0.762 30.350 29.700 -0.187 0.000 1.006 91 E HN 0.617 nan 8.360 nan 0.000 0.417 92 N N 1.508 120.119 118.700 -0.149 0.000 2.244 92 N HA -0.208 4.532 4.740 0.001 0.000 0.183 92 N C 1.347 176.770 175.510 -0.145 0.000 1.016 92 N CA 1.622 54.611 53.050 -0.102 0.000 0.866 92 N CB -0.376 38.085 38.487 -0.044 0.000 0.980 92 N HN 0.405 nan 8.380 nan 0.000 0.430 93 S N -0.071 115.535 115.700 -0.155 0.000 2.423 93 S HA -0.182 4.288 4.470 0.001 0.000 0.238 93 S C 1.740 176.190 174.600 -0.249 0.000 1.028 93 S CA 1.740 59.849 58.200 -0.152 0.000 1.000 93 S CB -1.390 61.733 63.200 -0.128 0.000 0.797 93 S HN 0.403 nan 8.310 nan 0.000 0.487 94 T N 1.577 115.865 114.554 -0.443 0.000 2.685 94 T HA -0.114 4.236 4.350 0.001 0.000 0.268 94 T C 0.589 174.807 174.700 -0.802 0.000 1.034 94 T CA 1.714 63.363 62.100 -0.753 0.000 1.149 94 T CB -0.563 67.516 68.868 -1.315 0.000 0.860 94 T HN 0.630 nan 8.240 nan 0.000 0.449 95 F N 0.880 120.702 119.950 -0.213 0.000 2.750 95 F HA 0.358 4.886 4.527 0.001 0.000 0.297 95 F C 1.269 177.045 175.800 -0.040 0.000 1.138 95 F CA -1.199 56.705 58.000 -0.161 0.000 1.346 95 F CB -0.207 38.605 39.000 -0.314 0.000 0.965 95 F HN -0.048 nan 8.300 nan 0.000 0.514 96 D N 0.794 121.215 120.400 0.035 0.000 2.144 96 D HA -0.142 4.499 4.640 0.001 0.000 0.199 96 D C 1.302 177.630 176.300 0.046 0.000 0.984 96 D CA 1.414 55.431 54.000 0.028 0.000 0.834 96 D CB 0.122 40.910 40.800 -0.019 0.000 0.955 96 D HN 0.298 nan 8.370 nan 0.000 0.465 97 E N -0.862 119.371 120.200 0.056 0.000 2.437 97 E HA 0.097 4.447 4.350 0.001 0.000 0.195 97 E C 0.751 177.399 176.600 0.081 0.000 1.029 97 E CA -0.358 56.066 56.400 0.039 0.000 0.948 97 E CB -0.212 29.497 29.700 0.014 0.000 1.082 97 E HN 0.112 nan 8.360 nan 0.000 0.456 98 F N 0.740 120.679 119.950 -0.018 0.000 2.269 98 F HA 0.007 4.534 4.527 0.001 0.000 0.301 98 F C 1.805 177.471 175.800 -0.225 0.000 1.082 98 F CA 1.703 59.673 58.000 -0.049 0.000 1.360 98 F CB 0.045 39.042 39.000 -0.004 0.000 1.041 98 F HN 0.209 nan 8.300 nan 0.000 0.512 99 G N -0.282 108.353 108.800 -0.275 0.000 2.148 99 G HA2 -0.258 3.703 3.960 0.001 0.000 0.254 99 G HA3 -0.258 3.703 3.960 0.001 0.000 0.254 99 G C -0.032 174.366 174.900 -0.837 0.000 0.981 99 G CA 0.414 45.196 45.100 -0.529 0.000 0.670 99 G HN 0.599 nan 8.290 nan 0.000 0.528 100 H N -0.795 118.127 119.070 -0.247 0.000 2.996 100 H HA 0.547 5.103 4.556 0.001 0.000 0.368 100 H C -0.414 174.963 175.328 0.082 0.000 1.185 100 H CA -0.120 55.840 56.048 -0.147 0.000 1.160 100 H CB 1.463 30.973 29.762 -0.420 0.000 1.820 100 H HN 0.213 nan 8.280 nan 0.000 0.547 101 S N 2.216 118.039 115.700 0.206 0.000 2.488 101 S HA 0.221 4.692 4.470 0.001 0.000 0.278 101 S C 0.220 174.928 174.600 0.180 0.000 1.259 101 S CA -0.629 57.665 58.200 0.155 0.000 1.061 101 S CB -0.652 62.611 63.200 0.105 0.000 0.910 101 S HN 0.385 nan 8.310 nan 0.000 0.491 102 I N 5.629 126.267 120.570 0.114 0.000 2.352 102 I HA 0.193 4.363 4.170 0.001 0.000 0.290 102 I C 1.319 177.458 176.117 0.037 0.000 1.036 102 I CA -0.372 60.965 61.300 0.062 0.000 1.336 102 I CB 1.051 38.992 38.000 -0.099 0.000 1.407 102 I HN 0.728 nan 8.210 nan 0.000 0.497 103 N N 3.465 122.183 118.700 0.031 0.000 2.290 103 N HA -0.046 4.694 4.740 0.001 0.000 0.179 103 N C -0.139 175.331 175.510 -0.066 0.000 1.016 103 N CA 1.000 54.016 53.050 -0.057 0.000 0.871 103 N CB 0.387 38.804 38.487 -0.117 0.000 0.987 103 N HN 0.687 nan 8.380 nan 0.000 0.431 104 D N -2.701 117.693 120.400 -0.009 0.000 2.671 104 D HA 0.207 4.848 4.640 0.001 0.000 0.273 104 D C -1.714 174.633 176.300 0.079 0.000 1.264 104 D CA -0.545 53.443 54.000 -0.019 0.000 0.788 104 D CB 0.662 41.412 40.800 -0.084 0.000 1.324 104 D HN 0.071 nan 8.370 nan 0.000 0.424 105 Y N -1.390 118.936 120.300 0.043 0.000 2.655 105 Y HA 0.768 5.319 4.550 0.001 0.000 0.336 105 Y C -1.254 174.735 175.900 0.147 0.000 1.154 105 Y CA -1.002 57.140 58.100 0.071 0.000 1.055 105 Y CB 1.655 40.130 38.460 0.025 0.000 1.295 105 Y HN 0.215 nan 8.280 nan 0.000 0.465 106 S N 1.736 117.658 115.700 0.371 0.000 2.652 106 S HA 0.558 5.029 4.470 0.001 0.000 0.273 106 S C -1.588 173.364 174.600 0.587 0.000 1.172 106 S CA -0.532 57.889 58.200 0.369 0.000 1.009 106 S CB 0.221 63.619 63.200 0.330 0.000 1.094 106 S HN 0.731 nan 8.310 nan 0.000 0.471 107 I N 4.437 125.263 120.570 0.426 0.000 2.428 107 I HA 0.277 4.447 4.170 0.001 0.000 0.289 107 I C 1.007 177.062 176.117 -0.104 0.000 1.019 107 I CA -0.411 61.053 61.300 0.274 0.000 1.351 107 I CB 1.721 39.891 38.000 0.284 0.000 1.412 107 I HN 0.782 nan 8.210 nan 0.000 0.513 108 S N 5.647 121.001 115.700 -0.576 0.000 2.573 108 S HA 0.131 4.602 4.470 0.001 0.000 0.277 108 S C -1.895 172.431 174.600 -0.457 0.000 1.346 108 S CA -0.971 56.483 58.200 -1.244 0.000 1.034 108 S CB 0.592 62.969 63.200 -1.372 0.000 0.879 108 S HN 0.421 nan 8.310 nan 0.000 0.528 109 P HA -0.141 nan 4.420 nan 0.000 0.216 109 P C 0.728 177.971 177.300 -0.095 0.000 1.153 109 P CA 1.528 64.548 63.100 -0.134 0.000 0.858 109 P CB -0.163 31.480 31.700 -0.094 0.000 0.789 110 D N -1.955 118.385 120.400 -0.100 0.000 2.324 110 D HA 0.087 4.727 4.640 0.001 0.000 0.235 110 D C 1.413 177.705 176.300 -0.014 0.000 1.095 110 D CA 0.502 54.479 54.000 -0.039 0.000 0.871 110 D CB -1.196 39.593 40.800 -0.019 0.000 0.906 110 D HN 0.223 nan 8.370 nan 0.000 0.522 111 G N 0.368 109.155 108.800 -0.022 0.000 2.189 111 G HA2 -0.451 3.509 3.960 0.001 0.000 0.267 111 G HA3 -0.451 3.509 3.960 0.001 0.000 0.267 111 G C 1.082 175.999 174.900 0.027 0.000 0.975 111 G CA 0.647 45.797 45.100 0.085 0.000 0.644 111 G HN 0.473 nan 8.290 nan 0.000 0.537 112 Q N -1.348 118.391 119.800 -0.102 0.000 2.230 112 Q HA 0.238 4.578 4.340 0.001 0.000 0.202 112 Q C 0.382 175.883 176.000 -0.832 0.000 0.963 112 Q CA 0.906 56.436 55.803 -0.454 0.000 0.866 112 Q CB 0.150 28.581 28.738 -0.512 0.000 0.931 112 Q HN 0.627 nan 8.270 nan 0.000 0.452 113 F N -1.010 118.911 119.950 -0.048 0.000 2.613 113 F HA 0.511 5.038 4.527 0.001 0.000 0.314 113 F C -0.580 175.320 175.800 0.168 0.000 1.075 113 F CA -1.173 56.867 58.000 0.068 0.000 0.945 113 F CB 1.695 40.775 39.000 0.133 0.000 1.310 113 F HN -0.214 nan 8.300 nan 0.000 0.467 114 I N 2.679 123.575 120.570 0.543 0.000 2.498 114 I HA 0.431 4.601 4.170 0.001 0.000 0.290 114 I C -1.526 174.913 176.117 0.537 0.000 1.032 114 I CA -0.769 60.849 61.300 0.531 0.000 1.073 114 I CB 1.572 39.816 38.000 0.407 0.000 1.251 114 I HN 0.490 nan 8.210 nan 0.000 0.426 115 L N 7.847 129.409 121.223 0.566 0.000 2.319 115 L HA 0.364 4.705 4.340 0.001 0.000 0.280 115 L C -0.868 176.149 176.870 0.246 0.000 1.099 115 L CA -0.498 54.549 54.840 0.345 0.000 0.828 115 L CB 0.980 43.176 42.059 0.230 0.000 1.150 115 L HN 0.536 nan 8.230 nan 0.000 0.442 116 L N 4.820 126.132 121.223 0.149 0.000 2.280 116 L HA 0.410 4.751 4.340 0.001 0.000 0.287 116 L C -0.027 176.947 176.870 0.174 0.000 1.023 116 L CA -0.338 54.511 54.840 0.014 0.000 0.819 116 L CB 1.588 43.420 42.059 -0.378 0.000 1.212 116 L HN 0.565 nan 8.230 nan 0.000 0.420 117 E N 3.715 123.985 120.200 0.117 0.000 2.174 117 E HA 0.405 4.756 4.350 0.001 0.000 0.282 117 E C -1.457 175.166 176.600 0.039 0.000 0.992 117 E CA -0.484 55.871 56.400 -0.076 0.000 0.803 117 E CB 0.927 30.623 29.700 -0.007 0.000 1.090 117 E HN 0.448 nan 8.360 nan 0.000 0.396 118 Y N 1.660 121.838 120.300 -0.203 0.000 2.818 118 Y HA 0.446 4.997 4.550 0.001 0.000 0.322 118 Y C -0.139 175.683 175.900 -0.131 0.000 1.323 118 Y CA -1.652 56.395 58.100 -0.088 0.000 1.090 118 Y CB 0.395 38.871 38.460 0.027 0.000 1.328 118 Y HN 0.456 nan 8.280 nan 0.000 0.482 119 N N -0.208 118.489 118.700 -0.005 0.000 2.727 119 N HA -0.304 4.436 4.740 0.001 0.000 0.249 119 N C -1.107 174.362 175.510 -0.069 0.000 1.048 119 N CA 1.022 54.028 53.050 -0.074 0.000 0.714 119 N CB -1.562 36.793 38.487 -0.220 0.000 0.959 119 N HN 0.836 nan 8.380 nan 0.000 0.544 120 Y N 0.029 120.256 120.300 -0.122 0.000 2.569 120 Y HA 0.303 4.854 4.550 0.001 0.000 0.332 120 Y C -0.032 175.832 175.900 -0.061 0.000 1.120 120 Y CA -0.146 57.884 58.100 -0.117 0.000 1.416 120 Y CB 0.702 39.055 38.460 -0.179 0.000 1.210 120 Y HN 0.001 nan 8.280 nan 0.000 0.528 121 V N 7.958 127.480 119.914 -0.652 0.000 2.447 121 V HA 0.194 4.315 4.120 0.001 0.000 0.292 121 V C -0.322 175.383 176.094 -0.648 0.000 1.021 121 V CA -1.444 60.547 62.300 -0.516 0.000 0.850 121 V CB 1.266 32.950 31.823 -0.231 0.000 1.005 121 V HN 0.714 nan 8.190 nan 0.000 0.426 122 K N 3.707 123.709 120.400 -0.663 0.000 2.416 122 K HA 0.159 4.479 4.320 0.001 0.000 0.283 122 K C 0.570 177.014 176.600 -0.260 0.000 1.037 122 K CA 0.236 56.320 56.287 -0.337 0.000 0.995 122 K CB 0.968 33.448 32.500 -0.034 0.000 0.938 122 K HN 0.824 nan 8.250 nan 0.000 0.475 123 Q N 3.508 123.123 119.800 -0.307 0.000 2.093 123 Q HA 0.097 4.438 4.340 0.001 0.000 0.234 123 Q C 0.099 175.817 176.000 -0.471 0.000 0.988 123 Q CA 0.261 55.671 55.803 -0.655 0.000 0.855 123 Q CB 0.044 28.253 28.738 -0.883 0.000 1.026 123 Q HN 0.713 nan 8.270 nan 0.000 0.506 124 W N -0.541 120.739 121.300 -0.034 0.000 2.152 124 W HA 0.383 5.044 4.660 0.001 0.000 0.632 124 W C 1.869 178.357 176.519 -0.052 0.000 1.359 124 W CA -0.833 56.513 57.345 0.003 0.000 1.038 124 W CB -0.211 29.211 29.460 -0.063 0.000 3.417 124 W HN 0.150 nan 8.180 nan 0.000 0.752 125 R N -0.450 120.128 120.500 0.130 0.000 2.075 125 R HA -0.122 4.219 4.340 0.001 0.000 0.232 125 R C 1.556 177.677 176.300 -0.298 0.000 1.126 125 R CA 2.055 58.054 56.100 -0.168 0.000 0.963 125 R CB -0.397 29.645 30.300 -0.429 0.000 0.858 125 R HN 0.552 nan 8.270 nan 0.000 0.435 126 H N -1.410 117.720 119.070 0.099 0.000 2.855 126 H HA 0.190 4.747 4.556 0.001 0.000 0.259 126 H C 0.346 175.758 175.328 0.140 0.000 0.972 126 H CA 0.164 56.295 56.048 0.137 0.000 1.213 126 H CB 0.631 30.449 29.762 0.092 0.000 1.451 126 H HN 0.121 nan 8.280 nan 0.000 0.484 127 S N 0.923 116.598 115.700 -0.042 0.000 2.601 127 S HA 0.403 4.874 4.470 0.001 0.000 0.271 127 S C -0.553 173.978 174.600 -0.114 0.000 1.305 127 S CA -0.647 57.281 58.200 -0.453 0.000 1.022 127 S CB 0.750 63.144 63.200 -1.342 0.000 0.940 127 S HN 0.450 nan 8.310 nan 0.000 0.525 128 Y N -2.225 117.995 120.300 -0.134 0.000 2.741 128 Y HA 0.705 5.256 4.550 0.001 0.000 0.339 128 Y C -0.681 175.220 175.900 0.002 0.000 1.226 128 Y CA -1.039 56.957 58.100 -0.174 0.000 1.072 128 Y CB 0.524 38.856 38.460 -0.214 0.000 1.331 128 Y HN 0.843 nan 8.280 nan 0.000 0.453 129 T N -0.291 114.320 114.554 0.096 0.000 2.942 129 T HA 1.018 5.369 4.350 0.001 0.000 0.289 129 T C -0.434 174.354 174.700 0.146 0.000 1.044 129 T CA -0.202 61.971 62.100 0.122 0.000 1.023 129 T CB 1.802 70.690 68.868 0.034 0.000 1.123 129 T HN 1.865 nan 8.240 nan 0.000 0.512 130 A N 0.600 123.461 122.820 0.069 0.000 2.511 130 A HA 0.762 5.082 4.320 0.001 0.000 0.293 130 A C -0.710 176.625 177.584 -0.416 0.000 1.098 130 A CA -0.989 50.923 52.037 -0.209 0.000 0.643 130 A CB 0.845 19.675 19.000 -0.284 0.000 1.302 130 A HN 0.887 nan 8.150 nan 0.000 0.446 131 S N -0.921 114.301 115.700 -0.797 0.000 2.638 131 S HA 0.845 5.316 4.470 0.001 0.000 0.298 131 S C -1.623 172.285 174.600 -1.153 0.000 1.111 131 S CA -0.143 57.527 58.200 -0.883 0.000 1.027 131 S CB 0.855 63.345 63.200 -1.184 0.000 1.064 131 S HN 0.495 nan 8.310 nan 0.000 0.525 132 Y N -0.004 120.093 120.300 -0.339 0.000 2.401 132 Y HA 0.386 4.937 4.550 0.001 0.000 0.330 132 Y C -0.503 175.438 175.900 0.069 0.000 1.071 132 Y CA -0.839 57.205 58.100 -0.094 0.000 1.049 132 Y CB 1.633 39.978 38.460 -0.192 0.000 1.239 132 Y HN 0.524 nan 8.280 nan 0.000 0.437 133 D N 3.263 123.894 120.400 0.386 0.000 2.342 133 D HA 0.553 5.194 4.640 0.001 0.000 0.243 133 D C -0.771 175.671 176.300 0.237 0.000 1.019 133 D CA -0.354 53.837 54.000 0.319 0.000 0.864 133 D CB 2.689 43.775 40.800 0.478 0.000 1.315 133 D HN 0.432 nan 8.370 nan 0.000 0.468 134 I N 2.109 122.802 120.570 0.205 0.000 2.354 134 I HA 0.200 4.370 4.170 0.001 0.000 0.292 134 I C -0.784 175.540 176.117 0.345 0.000 0.989 134 I CA -0.872 60.578 61.300 0.250 0.000 1.188 134 I CB 1.306 39.393 38.000 0.145 0.000 1.342 134 I HN 0.249 nan 8.210 nan 0.000 0.457 135 Y N 5.950 126.411 120.300 0.268 0.000 2.331 135 Y HA 0.300 4.851 4.550 0.001 0.000 0.338 135 Y C -0.233 175.851 175.900 0.307 0.000 0.992 135 Y CA -0.678 57.583 58.100 0.268 0.000 1.121 135 Y CB 1.080 39.711 38.460 0.285 0.000 1.184 135 Y HN 0.488 nan 8.280 nan 0.000 0.469 136 D N 6.025 126.324 120.400 -0.169 0.000 2.316 136 D HA 0.097 4.737 4.640 0.001 0.000 0.245 136 D C 0.331 176.347 176.300 -0.473 0.000 1.171 136 D CA 0.219 54.095 54.000 -0.208 0.000 0.856 136 D CB 1.110 41.860 40.800 -0.084 0.000 1.090 136 D HN 0.859 nan 8.370 nan 0.000 0.476 137 L N 3.657 124.661 121.223 -0.365 0.000 2.240 137 L HA -0.060 4.281 4.340 0.001 0.000 0.211 137 L C 1.719 178.436 176.870 -0.255 0.000 1.106 137 L CA 0.358 55.061 54.840 -0.229 0.000 0.793 137 L CB -0.166 41.787 42.059 -0.175 0.000 0.927 137 L HN 0.317 nan 8.230 nan 0.000 0.446 138 N N 0.529 119.052 118.700 -0.294 0.000 2.092 138 N HA -0.131 4.610 4.740 0.001 0.000 0.189 138 N C 1.577 176.971 175.510 -0.192 0.000 1.040 138 N CA 1.233 54.153 53.050 -0.217 0.000 0.845 138 N CB -0.124 38.240 38.487 -0.205 0.000 1.017 138 N HN 0.176 nan 8.380 nan 0.000 0.426 139 K N 0.299 120.570 120.400 -0.216 0.000 2.432 139 K HA 0.161 4.481 4.320 0.001 0.000 0.196 139 K C -0.151 176.321 176.600 -0.213 0.000 1.038 139 K CA -0.011 56.171 56.287 -0.175 0.000 0.986 139 K CB 0.317 32.733 32.500 -0.140 0.000 0.782 139 K HN 0.024 nan 8.250 nan 0.000 0.485 140 R N 1.389 121.697 120.500 -0.320 0.000 3.209 140 R HA -0.183 4.157 4.340 0.001 0.000 0.252 140 R C -1.157 174.907 176.300 -0.394 0.000 0.958 140 R CA 0.629 56.539 56.100 -0.316 0.000 0.651 140 R CB -1.619 28.622 30.300 -0.099 0.000 1.142 140 R HN 0.520 nan 8.270 nan 0.000 0.441 141 Q N 0.307 119.626 119.800 -0.801 0.000 2.403 141 Q HA 0.351 4.691 4.340 0.001 0.000 0.267 141 Q C -0.953 174.855 176.000 -0.321 0.000 0.991 141 Q CA -0.754 54.837 55.803 -0.354 0.000 0.906 141 Q CB 1.505 30.142 28.738 -0.168 0.000 1.422 141 Q HN 0.293 nan 8.270 nan 0.000 0.400 142 L N 3.777 125.048 121.223 0.080 0.000 2.416 142 L HA 0.280 4.620 4.340 0.001 0.000 0.272 142 L C 0.043 176.987 176.870 0.124 0.000 1.161 142 L CA -0.114 54.862 54.840 0.227 0.000 0.845 142 L CB 0.427 42.692 42.059 0.344 0.000 1.119 142 L HN 0.586 nan 8.230 nan 0.000 0.464 143 I N 2.484 123.134 120.570 0.133 0.000 2.452 143 I HA -0.054 4.116 4.170 0.001 0.000 0.287 143 I C 1.258 177.417 176.117 0.070 0.000 1.079 143 I CA 0.527 61.877 61.300 0.083 0.000 1.387 143 I CB 1.228 39.271 38.000 0.071 0.000 1.404 143 I HN 0.643 nan 8.210 nan 0.000 0.522 144 T N 4.438 119.018 114.554 0.044 0.000 3.023 144 T HA 0.182 4.533 4.350 0.001 0.000 0.253 144 T C 0.381 175.083 174.700 0.003 0.000 1.038 144 T CA 0.064 62.184 62.100 0.033 0.000 0.962 144 T CB -0.001 68.886 68.868 0.032 0.000 1.018 144 T HN 0.546 nan 8.240 nan 0.000 0.521 145 E N 1.751 121.946 120.200 -0.007 0.000 2.214 145 E HA 0.493 4.843 4.350 0.001 0.000 0.274 145 E C -0.164 176.406 176.600 -0.049 0.000 0.977 145 E CA -0.613 55.771 56.400 -0.027 0.000 0.827 145 E CB 0.669 30.355 29.700 -0.022 0.000 1.130 145 E HN 0.004 nan 8.360 nan 0.000 0.394 146 E N 0.970 121.127 120.200 -0.072 0.000 2.389 146 E HA -0.245 4.106 4.350 0.001 0.000 0.243 146 E C -0.701 175.821 176.600 -0.130 0.000 1.154 146 E CA 0.539 56.878 56.400 -0.102 0.000 0.723 146 E CB -1.301 28.347 29.700 -0.086 0.000 1.261 146 E HN 0.505 nan 8.360 nan 0.000 0.390 147 R N -0.278 120.140 120.500 -0.135 0.000 2.641 147 R HA 0.383 4.723 4.340 0.001 0.000 0.269 147 R C 1.070 177.199 176.300 -0.286 0.000 1.074 147 R CA -0.469 55.537 56.100 -0.157 0.000 1.133 147 R CB 0.521 30.762 30.300 -0.098 0.000 1.029 147 R HN 0.080 nan 8.270 nan 0.000 0.488 148 I N 4.092 124.447 120.570 -0.358 0.000 2.588 148 I HA 0.054 4.224 4.170 0.001 0.000 0.283 148 I C -1.694 174.126 176.117 -0.495 0.000 1.119 148 I CA -1.575 59.330 61.300 -0.659 0.000 1.419 148 I CB 0.562 38.126 38.000 -0.727 0.000 1.394 148 I HN 0.346 nan 8.210 nan 0.000 0.562 149 P HA 0.092 nan 4.420 nan 0.000 0.270 149 P C -0.324 176.821 177.300 -0.257 0.000 1.223 149 P CA -0.235 62.542 63.100 -0.539 0.000 0.785 149 P CB 0.181 31.206 31.700 -1.125 0.000 0.923 150 N N 1.146 119.759 118.700 -0.145 0.000 2.444 150 N HA 0.028 4.769 4.740 0.001 0.000 0.255 150 N C 0.627 176.214 175.510 0.129 0.000 1.255 150 N CA -0.155 52.864 53.050 -0.052 0.000 0.933 150 N CB -0.766 37.690 38.487 -0.051 0.000 1.143 150 N HN 0.567 nan 8.380 nan 0.000 0.453 151 N N -1.062 117.693 118.700 0.091 0.000 2.747 151 N HA -0.133 4.608 4.740 0.001 0.000 0.249 151 N C -0.604 175.070 175.510 0.274 0.000 1.107 151 N CA 1.114 54.251 53.050 0.145 0.000 0.707 151 N CB -1.859 36.712 38.487 0.140 0.000 1.054 151 N HN 0.782 nan 8.380 nan 0.000 0.555 152 T N 0.865 115.594 114.554 0.291 0.000 2.888 152 T HA 0.089 4.440 4.350 0.001 0.000 0.301 152 T C 1.713 176.588 174.700 0.291 0.000 1.001 152 T CA 0.176 62.480 62.100 0.340 0.000 1.147 152 T CB 1.082 70.094 68.868 0.241 0.000 0.931 152 T HN 0.183 nan 8.240 nan 0.000 0.541 153 Q N 1.938 121.888 119.800 0.251 0.000 2.302 153 Q HA 0.161 4.501 4.340 0.001 0.000 0.202 153 Q C 0.118 176.262 176.000 0.240 0.000 0.936 153 Q CA 0.380 56.321 55.803 0.229 0.000 0.886 153 Q CB 0.783 29.614 28.738 0.154 0.000 0.986 153 Q HN 0.698 nan 8.270 nan 0.000 0.487 154 W N -0.067 121.189 121.300 -0.073 0.000 3.818 154 W HA 0.396 5.057 4.660 0.001 0.000 0.283 154 W C -2.362 174.062 176.519 -0.158 0.000 1.265 154 W CA -0.564 56.684 57.345 -0.163 0.000 1.226 154 W CB 1.139 30.435 29.460 -0.274 0.000 1.281 154 W HN -0.382 nan 8.180 nan 0.000 0.539 155 V N 3.797 123.044 119.914 -1.112 0.000 2.638 155 V HA 0.624 4.745 4.120 0.001 0.000 0.306 155 V C -0.227 175.270 176.094 -0.994 0.000 1.052 155 V CA -0.543 61.215 62.300 -0.903 0.000 0.885 155 V CB 2.097 33.290 31.823 -1.050 0.000 0.999 155 V HN 0.456 nan 8.190 nan 0.000 0.424 156 T N 0.723 115.007 114.554 -0.450 0.000 2.886 156 T HA 0.506 4.857 4.350 0.001 0.000 0.292 156 T C -0.774 173.933 174.700 0.011 0.000 1.012 156 T CA -0.593 61.434 62.100 -0.121 0.000 0.982 156 T CB 1.070 70.136 68.868 0.330 0.000 1.018 156 T HN 0.516 nan 8.240 nan 0.000 0.451 157 W N 2.662 124.018 121.300 0.093 0.000 2.170 157 W HA 0.342 5.002 4.660 0.001 0.000 0.342 157 W C 1.302 177.773 176.519 -0.080 0.000 1.294 157 W CA -0.509 56.863 57.345 0.045 0.000 1.246 157 W CB 0.414 29.890 29.460 0.027 0.000 1.156 157 W HN 0.828 nan 8.180 nan 0.000 0.572 158 S N 2.296 117.811 115.700 -0.308 0.000 2.580 158 S HA 0.097 4.568 4.470 0.001 0.000 0.266 158 S C -1.793 172.578 174.600 -0.380 0.000 1.354 158 S CA -0.883 56.597 58.200 -1.201 0.000 1.008 158 S CB 0.795 63.129 63.200 -1.443 0.000 0.898 158 S HN 0.330 nan 8.310 nan 0.000 0.555 159 P HA 0.146 nan 4.420 nan 0.000 0.235 159 P C 0.035 177.288 177.300 -0.078 0.000 1.177 159 P CA 0.243 63.303 63.100 -0.067 0.000 0.785 159 P CB -0.129 31.581 31.700 0.016 0.000 0.885 160 V N -5.061 114.756 119.914 -0.161 0.000 2.823 160 V HA 0.913 5.033 4.120 0.001 0.000 0.312 160 V C 0.441 176.418 176.094 -0.195 0.000 1.072 160 V CA -0.224 61.993 62.300 -0.138 0.000 0.937 160 V CB 0.954 32.714 31.823 -0.106 0.000 1.013 160 V HN 0.415 nan 8.190 nan 0.000 0.430 161 G N 3.086 111.777 108.800 -0.180 0.000 2.496 161 G HA2 -0.152 3.809 3.960 0.001 0.000 0.243 161 G HA3 -0.152 3.809 3.960 0.001 0.000 0.243 161 G C 0.202 174.971 174.900 -0.219 0.000 1.176 161 G CA 0.737 45.669 45.100 -0.280 0.000 0.940 161 G HN 2.495 nan 8.290 nan 0.000 0.573 162 H N -0.772 118.291 119.070 -0.012 0.000 3.346 162 H HA 0.360 4.917 4.556 0.001 0.000 0.253 162 H C 0.336 175.829 175.328 0.275 0.000 1.204 162 H CA -0.117 55.975 56.048 0.073 0.000 0.996 162 H CB -0.211 29.592 29.762 0.068 0.000 2.713 162 H HN 0.516 nan 8.280 nan 0.000 0.690 163 K N 1.749 122.259 120.400 0.184 0.000 2.380 163 K HA 0.328 4.649 4.320 0.001 0.000 0.267 163 K C -0.377 176.389 176.600 0.278 0.000 0.990 163 K CA 0.048 56.440 56.287 0.175 0.000 0.946 163 K CB 1.316 33.759 32.500 -0.094 0.000 0.937 163 K HN 0.170 nan 8.250 nan 0.000 0.491 164 L N 0.950 122.319 121.223 0.243 0.000 2.370 164 L HA 0.589 4.929 4.340 0.001 0.000 0.266 164 L C -0.862 176.209 176.870 0.336 0.000 1.002 164 L CA -0.836 54.084 54.840 0.133 0.000 0.818 164 L CB 2.146 44.142 42.059 -0.104 0.000 1.325 164 L HN 0.718 nan 8.230 nan 0.000 0.418 165 A N 2.097 125.105 122.820 0.313 0.000 2.386 165 A HA 0.850 5.171 4.320 0.001 0.000 0.311 165 A C -1.634 175.981 177.584 0.053 0.000 1.068 165 A CA -0.383 51.725 52.037 0.119 0.000 0.743 165 A CB 1.422 20.393 19.000 -0.049 0.000 1.258 165 A HN 0.655 nan 8.150 nan 0.000 0.429 166 Y N -0.956 119.309 120.300 -0.057 0.000 2.615 166 Y HA 0.788 5.339 4.550 0.001 0.000 0.341 166 Y C -1.204 174.717 175.900 0.036 0.000 1.089 166 Y CA -1.564 56.490 58.100 -0.076 0.000 1.049 166 Y CB 1.160 39.515 38.460 -0.175 0.000 1.296 166 Y HN 0.420 nan 8.280 nan 0.000 0.470 167 V N 1.829 121.868 119.914 0.208 0.000 2.495 167 V HA 0.391 4.512 4.120 0.001 0.000 0.298 167 V C -1.514 174.810 176.094 0.384 0.000 1.031 167 V CA -0.639 61.761 62.300 0.166 0.000 0.871 167 V CB 1.403 33.242 31.823 0.026 0.000 0.988 167 V HN 0.880 nan 8.190 nan 0.000 0.432 168 W N 4.871 126.297 121.300 0.210 0.000 3.211 168 W HA 0.445 5.106 4.660 0.001 0.000 0.335 168 W C 0.307 176.911 176.519 0.141 0.000 1.113 168 W CA -0.654 56.806 57.345 0.192 0.000 1.235 168 W CB 1.254 30.841 29.460 0.212 0.000 1.365 168 W HN 0.779 nan 8.180 nan 0.000 0.476 169 N N 5.161 123.465 118.700 -0.659 0.000 2.710 169 N HA -0.347 4.394 4.740 0.001 0.000 0.249 169 N C -0.071 175.272 175.510 -0.279 0.000 1.059 169 N CA 1.105 53.802 53.050 -0.588 0.000 0.720 169 N CB -0.800 37.160 38.487 -0.878 0.000 0.983 169 N HN 0.705 nan 8.380 nan 0.000 0.544 170 N N -1.368 117.237 118.700 -0.158 0.000 2.850 170 N HA -0.139 4.601 4.740 0.001 0.000 0.249 170 N C -1.461 173.967 175.510 -0.136 0.000 1.060 170 N CA 1.477 54.460 53.050 -0.111 0.000 0.825 170 N CB -0.610 37.782 38.487 -0.158 0.000 1.132 170 N HN 0.517 nan 8.380 nan 0.000 0.564 171 D N -0.178 120.132 120.400 -0.151 0.000 2.433 171 D HA 0.524 5.165 4.640 0.001 0.000 0.236 171 D C 0.407 176.479 176.300 -0.380 0.000 1.026 171 D CA -0.425 53.388 54.000 -0.312 0.000 0.884 171 D CB 1.378 41.932 40.800 -0.409 0.000 1.384 171 D HN -0.005 nan 8.370 nan 0.000 0.477 172 I N 1.627 121.833 120.570 -0.606 0.000 2.396 172 I HA 0.237 4.407 4.170 0.001 0.000 0.292 172 I C -0.696 174.888 176.117 -0.887 0.000 0.999 172 I CA -0.449 60.482 61.300 -0.616 0.000 1.310 172 I CB 0.596 38.200 38.000 -0.660 0.000 1.404 172 I HN 0.144 nan 8.210 nan 0.000 0.496 173 Y N 4.248 124.170 120.300 -0.629 0.000 2.462 173 Y HA 0.609 5.160 4.550 0.001 0.000 0.346 173 Y C -0.360 175.215 175.900 -0.542 0.000 0.976 173 Y CA -1.018 56.674 58.100 -0.680 0.000 1.044 173 Y CB 1.896 39.710 38.460 -1.076 0.000 1.230 173 Y HN 0.113 nan 8.280 nan 0.000 0.455 174 V N 3.584 123.455 119.914 -0.073 0.000 2.448 174 V HA 0.405 4.525 4.120 0.001 0.000 0.295 174 V C -0.638 175.602 176.094 0.243 0.000 1.025 174 V CA -1.305 61.058 62.300 0.106 0.000 0.859 174 V CB 1.639 33.544 31.823 0.136 0.000 0.988 174 V HN 0.630 nan 8.190 nan 0.000 0.431 175 K N 4.770 125.311 120.400 0.236 0.000 2.293 175 K HA 0.465 4.786 4.320 0.001 0.000 0.267 175 K C 0.320 177.062 176.600 0.237 0.000 1.010 175 K CA -0.700 55.714 56.287 0.212 0.000 0.875 175 K CB 1.623 34.201 32.500 0.131 0.000 1.106 175 K HN 0.434 nan 8.250 nan 0.000 0.450 176 I N 1.365 122.096 120.570 0.269 0.000 2.406 176 I HA -0.053 4.118 4.170 0.001 0.000 0.249 176 I C 0.558 176.803 176.117 0.215 0.000 1.122 176 I CA 1.389 62.829 61.300 0.234 0.000 1.431 176 I CB -0.290 37.857 38.000 0.244 0.000 1.087 176 I HN 0.562 nan 8.210 nan 0.000 0.424 177 E N 0.124 120.416 120.200 0.153 0.000 2.288 177 E HA 0.278 4.629 4.350 0.001 0.000 0.268 177 E C -1.898 174.667 176.600 -0.058 0.000 0.885 177 E CA -1.858 54.581 56.400 0.065 0.000 0.767 177 E CB 1.797 31.532 29.700 0.057 0.000 1.220 177 E HN -0.146 nan 8.360 nan 0.000 0.427 178 P HA -0.147 nan 4.420 nan 0.000 0.218 178 P C 0.819 178.029 177.300 -0.150 0.000 1.148 178 P CA 1.261 64.198 63.100 -0.272 0.000 0.822 178 P CB 0.230 31.556 31.700 -0.623 0.000 0.784 179 N N -0.897 117.740 118.700 -0.106 0.000 2.336 179 N HA 0.003 4.744 4.740 0.001 0.000 0.189 179 N C 0.127 175.613 175.510 -0.040 0.000 1.113 179 N CA 0.249 53.269 53.050 -0.050 0.000 0.858 179 N CB -0.432 38.046 38.487 -0.015 0.000 0.970 179 N HN 0.173 nan 8.380 nan 0.000 0.471 180 L N 0.358 121.557 121.223 -0.039 0.000 2.332 180 L HA 0.547 4.888 4.340 0.001 0.000 0.269 180 L C -2.307 174.521 176.870 -0.070 0.000 1.016 180 L CA -2.417 52.401 54.840 -0.037 0.000 0.809 180 L CB 1.626 43.682 42.059 -0.005 0.000 1.280 180 L HN -0.156 nan 8.230 nan 0.000 0.447 181 P HA 0.109 nan 4.420 nan 0.000 0.271 181 P C -0.896 176.265 177.300 -0.232 0.000 1.218 181 P CA -0.270 62.739 63.100 -0.151 0.000 0.780 181 P CB 0.715 32.322 31.700 -0.154 0.000 0.901 182 S N 1.268 116.876 115.700 -0.154 0.000 2.576 182 S HA 0.211 4.681 4.470 0.001 0.000 0.276 182 S C -0.402 174.063 174.600 -0.225 0.000 1.339 182 S CA 0.000 58.142 58.200 -0.098 0.000 1.039 182 S CB -0.236 62.988 63.200 0.040 0.000 0.902 182 S HN 0.252 nan 8.310 nan 0.000 0.516 183 Y N 1.356 121.695 120.300 0.066 0.000 2.327 183 Y HA 0.348 4.899 4.550 0.001 0.000 0.336 183 Y C 0.749 176.631 175.900 -0.030 0.000 1.035 183 Y CA -0.524 57.601 58.100 0.041 0.000 1.165 183 Y CB 0.626 39.101 38.460 0.025 0.000 1.181 183 Y HN 0.504 nan 8.280 nan 0.000 0.494 184 R N 3.668 124.189 120.500 0.035 0.000 2.298 184 R HA 0.229 4.570 4.340 0.001 0.000 0.310 184 R C 0.142 176.213 176.300 -0.383 0.000 1.068 184 R CA -0.116 55.733 56.100 -0.418 0.000 0.957 184 R CB 0.320 30.226 30.300 -0.656 0.000 1.003 184 R HN 0.754 nan 8.270 nan 0.000 0.454 185 I N 2.254 122.494 120.570 -0.550 0.000 2.628 185 I HA -0.004 4.167 4.170 0.001 0.000 0.255 185 I C 0.985 176.856 176.117 -0.409 0.000 1.119 185 I CA 0.911 61.989 61.300 -0.371 0.000 1.448 185 I CB -0.667 37.103 38.000 -0.383 0.000 1.133 185 I HN 0.669 nan 8.210 nan 0.000 0.438 186 T N -4.003 110.159 114.554 -0.655 0.000 2.907 186 T HA 0.408 4.758 4.350 0.001 0.000 0.292 186 T C -0.525 173.767 174.700 -0.679 0.000 1.043 186 T CA -0.530 61.284 62.100 -0.475 0.000 1.003 186 T CB 1.983 70.590 68.868 -0.434 0.000 1.084 186 T HN 0.174 nan 8.240 nan 0.000 0.483 187 W N 0.198 121.391 121.300 -0.178 0.000 2.714 187 W HA 0.220 4.880 4.660 0.001 0.000 0.353 187 W C 1.928 178.392 176.519 -0.092 0.000 0.999 187 W CA -0.015 57.262 57.345 -0.113 0.000 1.629 187 W CB 0.532 29.946 29.460 -0.078 0.000 1.106 187 W HN 0.914 nan 8.180 nan 0.000 0.545 188 T N -2.863 111.712 114.554 0.035 0.000 3.069 188 T HA 0.325 4.676 4.350 0.001 0.000 0.252 188 T C 1.106 175.786 174.700 -0.033 0.000 1.053 188 T CA 0.079 62.191 62.100 0.019 0.000 0.964 188 T CB -0.091 68.785 68.868 0.014 0.000 1.005 188 T HN -0.033 nan 8.240 nan 0.000 0.532 189 G N 1.192 109.941 108.800 -0.086 0.000 2.432 189 G HA2 0.414 4.375 3.960 0.001 0.000 0.239 189 G HA3 0.414 4.375 3.960 0.001 0.000 0.239 189 G C -0.699 174.129 174.900 -0.119 0.000 1.291 189 G CA -0.482 44.549 45.100 -0.116 0.000 0.863 189 G HN 0.535 nan 8.290 nan 0.000 0.560 190 K N 1.600 121.906 120.400 -0.158 0.000 2.589 190 K HA 0.147 4.468 4.320 0.001 0.000 0.253 190 K C -0.272 176.189 176.600 -0.231 0.000 0.974 190 K CA -0.623 55.571 56.287 -0.155 0.000 0.835 190 K CB 1.552 33.994 32.500 -0.096 0.000 1.272 190 K HN 0.631 nan 8.250 nan 0.000 0.444 191 E N 3.150 123.226 120.200 -0.206 0.000 2.652 191 E HA -0.162 4.188 4.350 0.001 0.000 0.255 191 E C -0.551 175.937 176.600 -0.187 0.000 0.952 191 E CA 1.105 57.381 56.400 -0.206 0.000 0.947 191 E CB 0.262 29.886 29.700 -0.127 0.000 0.912 191 E HN 0.661 nan 8.360 nan 0.000 0.489 192 D N 2.253 122.516 120.400 -0.229 0.000 3.059 192 D HA -0.246 4.395 4.640 0.001 0.000 0.213 192 D C 0.388 176.661 176.300 -0.045 0.000 1.144 192 D CA 1.584 55.557 54.000 -0.046 0.000 0.975 192 D CB -0.906 39.925 40.800 0.050 0.000 1.125 192 D HN 0.502 nan 8.370 nan 0.000 0.412 193 I N -1.137 119.291 120.570 -0.236 0.000 3.685 193 I HA 0.079 4.250 4.170 0.001 0.000 0.258 193 I C 0.288 176.390 176.117 -0.025 0.000 1.135 193 I CA -0.085 61.192 61.300 -0.038 0.000 1.436 193 I CB 0.688 38.676 38.000 -0.020 0.000 1.670 193 I HN -0.174 nan 8.210 nan 0.000 0.424 194 I N 1.590 122.071 120.570 -0.150 0.000 2.339 194 I HA 0.258 4.429 4.170 0.001 0.000 0.290 194 I C -1.400 174.660 176.117 -0.095 0.000 0.994 194 I CA -0.449 60.836 61.300 -0.025 0.000 1.191 194 I CB 0.547 38.542 38.000 -0.009 0.000 1.343 194 I HN 0.079 nan 8.210 nan 0.000 0.458 195 Y N 4.834 125.222 120.300 0.147 0.000 2.326 195 Y HA 0.383 4.933 4.550 0.001 0.000 0.331 195 Y C 0.362 176.335 175.900 0.120 0.000 0.962 195 Y CA -0.736 57.459 58.100 0.158 0.000 1.167 195 Y CB 1.157 39.789 38.460 0.287 0.000 1.148 195 Y HN 0.421 nan 8.280 nan 0.000 0.463 196 N N 2.339 121.109 118.700 0.116 0.000 2.437 196 N HA 0.324 5.064 4.740 0.001 0.000 0.259 196 N C 0.847 176.313 175.510 -0.073 0.000 0.983 196 N CA 0.446 53.493 53.050 -0.004 0.000 0.937 196 N CB 1.844 40.218 38.487 -0.189 0.000 1.122 196 N HN 1.013 nan 8.380 nan 0.000 0.499 197 G N 1.600 110.392 108.800 -0.015 0.000 2.184 197 G HA2 -0.264 3.696 3.960 0.001 0.000 0.264 197 G HA3 -0.264 3.696 3.960 0.001 0.000 0.264 197 G C 0.137 174.926 174.900 -0.184 0.000 0.975 197 G CA 0.829 45.853 45.100 -0.127 0.000 0.642 197 G HN 0.678 nan 8.290 nan 0.000 0.536 198 I N -2.160 118.365 120.570 -0.075 0.000 3.042 198 I HA 0.836 5.006 4.170 0.001 0.000 0.310 198 I C 0.371 176.530 176.117 0.071 0.000 1.117 198 I CA -0.690 60.470 61.300 -0.232 0.000 1.003 198 I CB 1.931 39.608 38.000 -0.538 0.000 1.228 198 I HN 0.163 nan 8.210 nan 0.000 0.443 199 T N -0.566 113.964 114.554 -0.041 0.000 2.874 199 T HA 0.358 4.708 4.350 0.001 0.000 0.281 199 T C -0.190 174.244 174.700 -0.444 0.000 0.994 199 T CA -0.649 61.237 62.100 -0.357 0.000 1.015 199 T CB 1.151 69.884 68.868 -0.224 0.000 1.028 199 T HN 0.777 nan 8.240 nan 0.000 0.523 200 D N -0.097 119.784 120.400 -0.865 0.000 2.451 200 D HA 0.022 4.662 4.640 0.001 0.000 0.259 200 D C 0.978 177.139 176.300 -0.232 0.000 1.201 200 D CA -1.096 52.429 54.000 -0.792 0.000 1.028 200 D CB 0.186 40.486 40.800 -0.832 0.000 1.095 200 D HN 0.726 nan 8.370 nan 0.000 0.539 201 W N 0.444 121.655 121.300 -0.148 0.000 2.302 201 W HA -0.245 4.415 4.660 0.001 0.000 0.320 201 W C 2.087 178.479 176.519 -0.212 0.000 1.241 201 W CA 2.421 59.688 57.345 -0.130 0.000 1.264 201 W CB -0.398 28.952 29.460 -0.184 0.000 1.154 201 W HN 0.206 nan 8.180 nan 0.000 0.483 202 V N -0.413 119.528 119.914 0.045 0.000 2.871 202 V HA -0.220 3.900 4.120 0.001 0.000 0.256 202 V C 1.646 177.509 176.094 -0.386 0.000 1.082 202 V CA 1.625 63.846 62.300 -0.133 0.000 1.105 202 V CB -0.627 31.159 31.823 -0.061 0.000 0.713 202 V HN 0.284 nan 8.190 nan 0.000 0.473 203 Y N 0.571 120.611 120.300 -0.433 0.000 2.286 203 Y HA -0.106 4.445 4.550 0.001 0.000 0.293 203 Y C 2.536 178.157 175.900 -0.465 0.000 1.124 203 Y CA 1.968 59.718 58.100 -0.583 0.000 1.178 203 Y CB 0.017 37.941 38.460 -0.893 0.000 1.010 203 Y HN 0.349 nan 8.280 nan 0.000 0.536 204 E N 0.397 120.454 120.200 -0.238 0.000 2.031 204 E HA -0.301 4.050 4.350 0.001 0.000 0.193 204 E C 2.008 178.507 176.600 -0.169 0.000 0.994 204 E CA 1.648 57.963 56.400 -0.141 0.000 0.800 204 E CB -0.003 29.616 29.700 -0.136 0.000 0.752 204 E HN 0.376 nan 8.360 nan 0.000 0.447 205 E N 0.107 120.029 120.200 -0.463 0.000 2.072 205 E HA -0.152 4.199 4.350 0.001 0.000 0.190 205 E C 1.590 178.070 176.600 -0.199 0.000 0.982 205 E CA 1.445 57.590 56.400 -0.425 0.000 0.803 205 E CB 0.176 29.305 29.700 -0.951 0.000 0.755 205 E HN 0.194 nan 8.360 nan 0.000 0.453 206 E N -1.002 119.054 120.200 -0.241 0.000 2.447 206 E HA 0.124 4.474 4.350 0.001 0.000 0.204 206 E C 1.543 178.035 176.600 -0.180 0.000 0.977 206 E CA 0.333 56.648 56.400 -0.142 0.000 0.950 206 E CB 1.058 30.644 29.700 -0.191 0.000 0.975 206 E HN 0.199 nan 8.360 nan 0.000 0.496 207 V N -0.544 119.206 119.914 -0.273 0.000 3.001 207 V HA 0.073 4.194 4.120 0.001 0.000 0.228 207 V C 1.236 177.368 176.094 0.064 0.000 1.204 207 V CA 0.554 62.695 62.300 -0.265 0.000 1.247 207 V CB -0.147 31.280 31.823 -0.661 0.000 1.093 207 V HN 0.002 nan 8.190 nan 0.000 0.504 208 F N 0.601 120.577 119.950 0.044 0.000 2.721 208 F HA 0.374 4.902 4.527 0.001 0.000 0.301 208 F C 1.529 177.300 175.800 -0.048 0.000 1.096 208 F CA -0.362 57.671 58.000 0.055 0.000 1.308 208 F CB -0.753 38.315 39.000 0.113 0.000 1.086 208 F HN 0.113 nan 8.300 nan 0.000 0.587 209 S N 0.549 116.291 115.700 0.070 0.000 3.549 209 S HA 0.007 4.478 4.470 0.001 0.000 0.366 209 S C 0.206 174.449 174.600 -0.594 0.000 1.012 209 S CA 0.542 58.651 58.200 -0.152 0.000 1.141 209 S CB -1.668 61.475 63.200 -0.095 0.000 0.910 209 S HN 0.649 nan 8.310 nan 0.000 0.471 210 A N -0.488 122.192 122.820 -0.234 0.000 2.604 210 A HA 0.700 5.020 4.320 0.001 0.000 0.295 210 A C -0.170 177.414 177.584 0.002 0.000 1.067 210 A CA -0.546 51.362 52.037 -0.216 0.000 0.683 210 A CB 0.410 19.292 19.000 -0.197 0.000 1.281 210 A HN 0.243 nan 8.150 nan 0.000 0.407 211 Y N 1.284 121.445 120.300 -0.232 0.000 2.395 211 Y HA 0.142 4.692 4.550 0.001 0.000 0.293 211 Y C 1.500 177.127 175.900 -0.456 0.000 1.123 211 Y CA 1.179 59.122 58.100 -0.262 0.000 1.227 211 Y CB -0.006 38.311 38.460 -0.239 0.000 1.012 211 Y HN 0.589 nan 8.280 nan 0.000 0.552 212 S N 0.189 115.413 115.700 -0.794 0.000 2.549 212 S HA 0.517 4.988 4.470 0.001 0.000 0.279 212 S C 0.153 174.335 174.600 -0.698 0.000 1.321 212 S CA 0.127 57.636 58.200 -1.151 0.000 1.054 212 S CB 0.427 62.707 63.200 -1.533 0.000 0.899 212 S HN 0.368 nan 8.310 nan 0.000 0.497 213 A N 5.097 127.524 122.820 -0.655 0.000 3.234 213 A HA 0.532 4.852 4.320 0.001 0.000 0.247 213 A C -1.132 175.900 177.584 -0.919 0.000 0.938 213 A CA -0.341 51.267 52.037 -0.714 0.000 1.039 213 A CB 0.067 19.135 19.000 0.113 0.000 1.197 213 A HN 0.552 nan 8.150 nan 0.000 0.498 214 L N 0.662 121.184 121.223 -1.169 0.000 2.381 214 L HA 0.682 5.022 4.340 0.001 0.000 0.274 214 L C -1.378 175.062 176.870 -0.716 0.000 0.988 214 L CA -0.760 53.706 54.840 -0.624 0.000 0.824 214 L CB 1.169 43.005 42.059 -0.373 0.000 1.263 214 L HN 0.471 nan 8.230 nan 0.000 0.410 215 W N 3.951 125.265 121.300 0.024 0.000 2.687 215 W HA 0.204 4.865 4.660 0.001 0.000 0.328 215 W C -0.896 175.828 176.519 0.341 0.000 1.012 215 W CA -1.085 56.384 57.345 0.206 0.000 1.262 215 W CB 1.193 30.821 29.460 0.279 0.000 1.331 215 W HN 0.522 nan 8.180 nan 0.000 0.433 216 W N 2.719 124.246 121.300 0.379 0.000 2.216 216 W HA 0.187 4.848 4.660 0.001 0.000 0.326 216 W C 1.376 177.768 176.519 -0.212 0.000 1.319 216 W CA 0.234 57.664 57.345 0.141 0.000 1.213 216 W CB 0.867 30.382 29.460 0.091 0.000 1.171 216 W HN 0.202 nan 8.180 nan 0.000 0.557 217 S N 2.961 118.407 115.700 -0.423 0.000 2.584 217 S HA 0.125 4.596 4.470 0.001 0.000 0.270 217 S C -1.761 172.589 174.600 -0.417 0.000 1.346 217 S CA -0.969 56.453 58.200 -1.298 0.000 1.018 217 S CB 1.094 63.553 63.200 -1.234 0.000 0.899 217 S HN 0.295 nan 8.310 nan 0.000 0.542 218 P HA -0.056 nan 4.420 nan 0.000 0.218 218 P C 1.131 178.400 177.300 -0.052 0.000 1.148 218 P CA 1.002 64.072 63.100 -0.050 0.000 0.822 218 P CB -0.041 31.673 31.700 0.023 0.000 0.784 219 N N -1.285 117.365 118.700 -0.083 0.000 2.331 219 N HA -0.041 4.699 4.740 0.001 0.000 0.180 219 N C 1.327 176.757 175.510 -0.134 0.000 1.019 219 N CA 1.551 54.550 53.050 -0.084 0.000 0.881 219 N CB -0.587 37.858 38.487 -0.069 0.000 0.972 219 N HN 0.115 nan 8.380 nan 0.000 0.435 220 G N -1.819 106.901 108.800 -0.133 0.000 2.141 220 G HA2 -0.262 3.699 3.960 0.001 0.000 0.242 220 G HA3 -0.262 3.699 3.960 0.001 0.000 0.242 220 G C 1.044 175.930 174.900 -0.022 0.000 0.982 220 G CA 0.904 45.893 45.100 -0.185 0.000 0.662 220 G HN 0.379 nan 8.290 nan 0.000 0.527 221 T N -0.295 114.229 114.554 -0.050 0.000 2.894 221 T HA 0.331 4.682 4.350 0.001 0.000 0.258 221 T C 0.663 175.259 174.700 -0.174 0.000 1.043 221 T CA 0.979 62.971 62.100 -0.181 0.000 1.141 221 T CB -0.034 68.630 68.868 -0.340 0.000 0.873 221 T HN 0.251 nan 8.240 nan 0.000 0.449 222 F N 0.532 120.523 119.950 0.068 0.000 2.458 222 F HA 0.619 5.147 4.527 0.001 0.000 0.330 222 F C -0.318 175.584 175.800 0.170 0.000 1.082 222 F CA -1.478 56.595 58.000 0.122 0.000 0.995 222 F CB 1.236 40.323 39.000 0.145 0.000 1.170 222 F HN -0.111 nan 8.300 nan 0.000 0.478 223 L N 3.045 124.453 121.223 0.309 0.000 2.316 223 L HA 0.746 5.087 4.340 0.001 0.000 0.280 223 L C -0.434 176.552 176.870 0.193 0.000 1.006 223 L CA -0.455 54.421 54.840 0.059 0.000 0.836 223 L CB 0.642 42.489 42.059 -0.354 0.000 1.221 223 L HN 0.667 nan 8.230 nan 0.000 0.418 224 A N 4.942 127.941 122.820 0.299 0.000 2.327 224 A HA 0.666 4.986 4.320 0.001 0.000 0.283 224 A C -1.256 176.404 177.584 0.128 0.000 1.127 224 A CA -0.176 51.910 52.037 0.082 0.000 0.810 224 A CB 0.257 19.377 19.000 0.200 0.000 1.066 224 A HN 0.814 nan 8.150 nan 0.000 0.492 225 Y N -1.189 118.921 120.300 -0.317 0.000 2.571 225 Y HA 0.747 5.298 4.550 0.001 0.000 0.341 225 Y C -0.281 175.469 175.900 -0.249 0.000 1.076 225 Y CA -0.955 57.058 58.100 -0.145 0.000 1.029 225 Y CB 0.937 39.294 38.460 -0.171 0.000 1.308 225 Y HN 0.866 nan 8.280 nan 0.000 0.461 226 A N 2.599 125.532 122.820 0.188 0.000 2.306 226 A HA 0.625 4.946 4.320 0.001 0.000 0.330 226 A C -1.031 176.498 177.584 -0.092 0.000 1.146 226 A CA -0.836 51.196 52.037 -0.007 0.000 0.827 226 A CB 1.531 20.549 19.000 0.030 0.000 1.178 226 A HN 0.817 nan 8.150 nan 0.000 0.490 227 Q N 1.244 120.895 119.800 -0.249 0.000 2.330 227 Q HA 0.589 4.929 4.340 0.001 0.000 0.269 227 Q C -1.923 173.782 176.000 -0.491 0.000 1.022 227 Q CA -0.347 55.349 55.803 -0.178 0.000 0.796 227 Q CB 0.923 29.755 28.738 0.156 0.000 1.271 227 Q HN 0.609 nan 8.270 nan 0.000 0.450 228 F N 2.045 122.105 119.950 0.182 0.000 2.470 228 F HA 0.471 4.998 4.527 0.001 0.000 0.329 228 F C 0.471 176.433 175.800 0.269 0.000 1.072 228 F CA -0.931 57.168 58.000 0.166 0.000 0.989 228 F CB 1.275 40.305 39.000 0.051 0.000 1.193 228 F HN 0.434 nan 8.300 nan 0.000 0.481 229 N N 1.170 120.105 118.700 0.391 0.000 2.540 229 N HA 0.227 4.967 4.740 0.001 0.000 0.275 229 N C -1.170 174.516 175.510 0.292 0.000 1.053 229 N CA -0.358 52.869 53.050 0.295 0.000 0.876 229 N CB 1.085 39.684 38.487 0.186 0.000 1.284 229 N HN 0.544 nan 8.380 nan 0.000 0.518 230 D N 1.036 121.632 120.400 0.327 0.000 2.368 230 D HA 0.133 4.773 4.640 0.001 0.000 0.218 230 D C 1.223 177.636 176.300 0.188 0.000 1.112 230 D CA 0.165 54.335 54.000 0.283 0.000 0.834 230 D CB 0.579 41.616 40.800 0.395 0.000 0.953 230 D HN 0.472 nan 8.370 nan 0.000 0.505 231 T N 0.585 115.227 114.554 0.148 0.000 2.635 231 T HA -0.264 4.087 4.350 0.001 0.000 0.265 231 T C 1.206 175.956 174.700 0.083 0.000 1.058 231 T CA 1.493 63.652 62.100 0.098 0.000 1.162 231 T CB -0.112 68.804 68.868 0.080 0.000 0.859 231 T HN 0.348 nan 8.240 nan 0.000 0.449 232 E N 0.209 120.458 120.200 0.083 0.000 2.499 232 E HA 0.234 4.584 4.350 0.001 0.000 0.199 232 E C -0.641 176.002 176.600 0.072 0.000 1.016 232 E CA -0.258 56.181 56.400 0.065 0.000 0.933 232 E CB 0.702 30.433 29.700 0.052 0.000 1.050 232 E HN 0.196 nan 8.360 nan 0.000 0.462 233 V N 3.422 123.393 119.914 0.095 0.000 2.488 233 V HA 0.135 4.256 4.120 0.001 0.000 0.277 233 V C -2.009 174.137 176.094 0.087 0.000 1.046 233 V CA -1.701 60.659 62.300 0.099 0.000 0.986 233 V CB 0.580 32.482 31.823 0.131 0.000 0.989 233 V HN 0.061 nan 8.190 nan 0.000 0.475 234 P HA 0.230 nan 4.420 nan 0.000 0.269 234 P C -0.814 176.520 177.300 0.056 0.000 1.215 234 P CA -0.161 62.972 63.100 0.055 0.000 0.780 234 P CB 0.455 32.185 31.700 0.049 0.000 0.898 235 L N 2.549 123.784 121.223 0.019 0.000 2.295 235 L HA 0.402 4.742 4.340 0.001 0.000 0.285 235 L C 0.364 177.187 176.870 -0.079 0.000 1.035 235 L CA -1.006 53.827 54.840 -0.012 0.000 0.806 235 L CB 0.855 42.903 42.059 -0.019 0.000 1.214 235 L HN 0.268 nan 8.230 nan 0.000 0.426 236 I N 3.016 123.491 120.570 -0.158 0.000 2.519 236 I HA 0.239 4.409 4.170 0.001 0.000 0.287 236 I C -0.095 175.884 176.117 -0.230 0.000 1.047 236 I CA -0.190 60.928 61.300 -0.304 0.000 1.381 236 I CB 0.723 38.318 38.000 -0.677 0.000 1.417 236 I HN 0.614 nan 8.210 nan 0.000 0.540 237 E N 7.285 127.368 120.200 -0.196 0.000 2.272 237 E HA 0.523 4.873 4.350 0.001 0.000 0.269 237 E C -1.796 174.746 176.600 -0.097 0.000 0.877 237 E CA -0.547 55.733 56.400 -0.201 0.000 0.755 237 E CB 2.350 31.963 29.700 -0.144 0.000 1.192 237 E HN 0.530 nan 8.360 nan 0.000 0.422 238 Y N -1.907 118.308 120.300 -0.142 0.000 2.656 238 Y HA 0.525 5.075 4.550 0.001 0.000 0.334 238 Y C -0.865 174.968 175.900 -0.113 0.000 1.179 238 Y CA -1.222 56.800 58.100 -0.129 0.000 1.050 238 Y CB 0.851 39.237 38.460 -0.122 0.000 1.308 238 Y HN 0.196 nan 8.280 nan 0.000 0.456 239 S N 1.821 117.527 115.700 0.010 0.000 2.562 239 S HA 0.508 4.979 4.470 0.001 0.000 0.275 239 S C -1.428 173.029 174.600 -0.238 0.000 1.281 239 S CA -0.428 57.626 58.200 -0.244 0.000 1.045 239 S CB 0.539 63.435 63.200 -0.507 0.000 0.962 239 S HN 0.522 nan 8.310 nan 0.000 0.503 240 F N 2.456 122.167 119.950 -0.398 0.000 2.493 240 F HA 0.452 4.980 4.527 0.001 0.000 0.329 240 F C -0.216 175.361 175.800 -0.372 0.000 1.126 240 F CA -0.850 57.000 58.000 -0.251 0.000 0.937 240 F CB 0.796 39.763 39.000 -0.055 0.000 1.146 240 F HN 0.622 nan 8.300 nan 0.000 0.442 241 Y N 2.759 122.842 120.300 -0.362 0.000 2.347 241 Y HA 0.127 4.678 4.550 0.001 0.000 0.294 241 Y C 1.750 177.566 175.900 -0.141 0.000 1.117 241 Y CA 1.180 59.157 58.100 -0.205 0.000 1.184 241 Y CB -0.642 37.683 38.460 -0.224 0.000 1.047 241 Y HN 0.755 nan 8.280 nan 0.000 0.546 242 S N -0.663 114.934 115.700 -0.172 0.000 3.630 242 S HA -0.207 4.264 4.470 0.001 0.000 0.634 242 S C -0.655 173.984 174.600 0.066 0.000 2.333 242 S CA 0.240 58.482 58.200 0.070 0.000 2.607 242 S CB -1.395 61.968 63.200 0.270 0.000 0.329 242 S HN 0.393 nan 8.310 nan 0.000 1.712 243 D N 1.748 122.211 120.400 0.105 0.000 2.360 243 D HA 0.274 4.915 4.640 0.001 0.000 0.242 243 D C 1.389 177.721 176.300 0.055 0.000 1.184 243 D CA 0.484 54.527 54.000 0.071 0.000 0.930 243 D CB 0.427 41.270 40.800 0.072 0.000 1.161 243 D HN 0.696 nan 8.370 nan 0.000 0.447 244 E N -0.196 120.025 120.200 0.035 0.000 2.265 244 E HA -0.200 4.151 4.350 0.001 0.000 0.196 244 E C 1.191 177.804 176.600 0.021 0.000 0.996 244 E CA 1.311 57.722 56.400 0.019 0.000 0.832 244 E CB 0.050 29.754 29.700 0.008 0.000 0.756 244 E HN 0.310 nan 8.360 nan 0.000 0.491 245 S N 0.239 115.958 115.700 0.032 0.000 2.481 245 S HA -0.073 4.397 4.470 0.001 0.000 0.231 245 S C 0.854 175.480 174.600 0.044 0.000 0.996 245 S CA -0.104 58.116 58.200 0.033 0.000 0.942 245 S CB -0.220 63.002 63.200 0.036 0.000 0.768 245 S HN 0.299 nan 8.310 nan 0.000 0.520 246 L N 2.587 123.845 121.223 0.057 0.000 2.385 246 L HA 0.333 4.673 4.340 0.001 0.000 0.281 246 L C 1.350 178.253 176.870 0.054 0.000 1.106 246 L CA 0.091 54.977 54.840 0.076 0.000 0.856 246 L CB 0.658 42.777 42.059 0.100 0.000 1.186 246 L HN 0.279 nan 8.230 nan 0.000 0.453 247 Q N 3.902 123.733 119.800 0.051 0.000 2.083 247 Q HA -0.075 4.265 4.340 0.001 0.000 0.198 247 Q C -0.540 175.355 176.000 -0.175 0.000 0.969 247 Q CA 1.296 57.067 55.803 -0.054 0.000 0.838 247 Q CB 0.157 28.879 28.738 -0.026 0.000 0.900 247 Q HN 0.667 nan 8.270 nan 0.000 0.436 248 Y N 0.601 120.915 120.300 0.023 0.000 2.341 248 Y HA 0.395 4.945 4.550 0.001 0.000 0.338 248 Y C -2.065 173.844 175.900 0.015 0.000 0.965 248 Y CA -2.913 55.197 58.100 0.017 0.000 1.108 248 Y CB 1.423 39.885 38.460 0.004 0.000 1.180 248 Y HN 0.142 nan 8.280 nan 0.000 0.458 249 P HA 0.044 nan 4.420 nan 0.000 0.269 249 P C -0.702 176.613 177.300 0.024 0.000 1.215 249 P CA -0.489 62.636 63.100 0.041 0.000 0.780 249 P CB 0.736 32.402 31.700 -0.056 0.000 0.898 250 K N 1.154 121.556 120.400 0.005 0.000 2.172 250 K HA 0.281 4.601 4.320 0.001 0.000 0.276 250 K C -0.573 175.986 176.600 -0.069 0.000 1.013 250 K CA -0.246 56.041 56.287 0.000 0.000 0.913 250 K CB 0.453 32.983 32.500 0.050 0.000 1.055 250 K HN 0.368 nan 8.250 nan 0.000 0.461 251 T N 3.144 117.641 114.554 -0.094 0.000 2.728 251 T HA 0.176 4.526 4.350 0.001 0.000 0.296 251 T C -0.342 174.235 174.700 -0.206 0.000 0.940 251 T CA -0.589 61.418 62.100 -0.155 0.000 1.013 251 T CB 0.892 69.682 68.868 -0.130 0.000 0.912 251 T HN 0.238 nan 8.240 nan 0.000 0.484 252 V N 6.016 125.716 119.914 -0.356 0.000 2.461 252 V HA 0.339 4.459 4.120 0.001 0.000 0.275 252 V C 0.517 176.338 176.094 -0.455 0.000 1.047 252 V CA -0.454 61.586 62.300 -0.433 0.000 0.955 252 V CB 0.441 31.832 31.823 -0.721 0.000 0.988 252 V HN 0.723 nan 8.190 nan 0.000 0.471 253 R N 3.877 124.240 120.500 -0.228 0.000 2.437 253 R HA 0.780 5.121 4.340 0.001 0.000 0.310 253 R C -1.534 174.742 176.300 -0.040 0.000 0.955 253 R CA -0.668 55.339 56.100 -0.155 0.000 0.851 253 R CB 2.144 32.389 30.300 -0.092 0.000 1.161 253 R HN 0.492 nan 8.270 nan 0.000 0.446 254 V N 3.610 123.504 119.914 -0.033 0.000 2.638 254 V HA 0.328 4.448 4.120 0.001 0.000 0.306 254 V C -2.425 173.714 176.094 0.075 0.000 1.052 254 V CA -2.518 59.828 62.300 0.077 0.000 0.885 254 V CB 2.234 34.080 31.823 0.038 0.000 0.999 254 V HN 0.636 nan 8.190 nan 0.000 0.424 255 P HA 0.213 nan 4.420 nan 0.000 0.265 255 P C -1.358 176.047 177.300 0.176 0.000 1.222 255 P CA 0.300 63.503 63.100 0.172 0.000 0.767 255 P CB -0.138 31.707 31.700 0.242 0.000 0.801 256 Y N 6.169 126.449 120.300 -0.033 0.000 2.287 256 Y HA 0.327 4.877 4.550 0.001 0.000 0.325 256 Y C -2.754 173.113 175.900 -0.056 0.000 1.139 256 Y CA -2.664 55.361 58.100 -0.126 0.000 1.167 256 Y CB 1.751 40.023 38.460 -0.313 0.000 1.158 256 Y HN 0.285 nan 8.280 nan 0.000 0.434 257 P HA 0.232 nan 4.420 nan 0.000 0.284 257 P C -0.734 176.602 177.300 0.060 0.000 1.343 257 P CA -0.115 63.013 63.100 0.047 0.000 0.826 257 P CB 0.937 32.647 31.700 0.017 0.000 0.956 258 K N 2.081 122.604 120.400 0.205 0.000 2.149 258 K HA 0.408 4.728 4.320 0.001 0.000 0.245 258 K C 0.676 177.366 176.600 0.149 0.000 1.024 258 K CA -0.560 55.863 56.287 0.226 0.000 0.899 258 K CB 0.434 33.080 32.500 0.242 0.000 1.038 258 K HN 0.434 nan 8.250 nan 0.000 0.496 259 A N 0.919 123.851 122.820 0.187 0.000 2.561 259 A HA 0.279 4.599 4.320 0.001 0.000 0.251 259 A C 1.194 178.812 177.584 0.057 0.000 1.062 259 A CA 0.944 53.081 52.037 0.166 0.000 0.761 259 A CB -1.134 18.050 19.000 0.307 0.000 0.986 259 A HN 0.904 nan 8.150 nan 0.000 0.510 260 G N 0.972 109.793 108.800 0.036 0.000 2.199 260 G HA2 0.111 4.072 3.960 0.001 0.000 0.254 260 G HA3 0.111 4.072 3.960 0.001 0.000 0.254 260 G C 0.654 175.562 174.900 0.014 0.000 0.982 260 G CA 0.670 45.767 45.100 -0.005 0.000 0.632 260 G HN 2.153 nan 8.290 nan 0.000 0.529 261 A N -0.298 122.546 122.820 0.039 0.000 2.259 261 A HA 0.753 5.074 4.320 0.001 0.000 0.278 261 A C 0.859 178.466 177.584 0.039 0.000 1.107 261 A CA 0.271 52.334 52.037 0.042 0.000 0.828 261 A CB 0.749 19.788 19.000 0.065 0.000 1.111 261 A HN 1.162 nan 8.150 nan 0.000 0.498 262 V N 2.031 121.968 119.914 0.039 0.000 2.540 262 V HA -0.025 4.096 4.120 0.001 0.000 0.297 262 V C 0.677 176.804 176.094 0.055 0.000 1.024 262 V CA 0.450 62.774 62.300 0.039 0.000 1.105 262 V CB -0.477 31.370 31.823 0.040 0.000 0.938 262 V HN 0.871 nan 8.190 nan 0.000 0.482 263 N N 6.021 124.751 118.700 0.049 0.000 2.476 263 N HA 0.418 5.158 4.740 0.001 0.000 0.275 263 N C -2.432 173.147 175.510 0.114 0.000 1.190 263 N CA -1.334 51.764 53.050 0.081 0.000 0.977 263 N CB 1.177 39.704 38.487 0.066 0.000 1.200 263 N HN 0.459 nan 8.380 nan 0.000 0.515 264 P HA 0.013 nan 4.420 nan 0.000 0.269 264 P C -0.625 176.816 177.300 0.235 0.000 1.215 264 P CA -0.055 63.191 63.100 0.243 0.000 0.780 264 P CB 0.493 32.390 31.700 0.328 0.000 0.898 265 T N -1.729 112.949 114.554 0.206 0.000 2.948 265 T HA 0.606 4.957 4.350 0.001 0.000 0.285 265 T C -0.371 174.445 174.700 0.193 0.000 1.019 265 T CA -0.887 61.299 62.100 0.144 0.000 1.013 265 T CB 1.483 70.391 68.868 0.068 0.000 1.117 265 T HN 0.318 nan 8.240 nan 0.000 0.533 266 V N 0.526 120.522 119.914 0.136 0.000 2.760 266 V HA 0.690 4.811 4.120 0.001 0.000 0.309 266 V C -1.496 174.664 176.094 0.110 0.000 1.077 266 V CA -0.774 61.560 62.300 0.057 0.000 0.910 266 V CB 1.948 33.882 31.823 0.184 0.000 1.008 266 V HN 1.026 nan 8.190 nan 0.000 0.424 267 K N 4.996 125.404 120.400 0.014 0.000 2.385 267 K HA 0.610 4.931 4.320 0.001 0.000 0.248 267 K C -1.804 174.765 176.600 -0.052 0.000 0.955 267 K CA -0.534 55.761 56.287 0.012 0.000 0.816 267 K CB 2.881 35.394 32.500 0.022 0.000 1.250 267 K HN 0.537 nan 8.250 nan 0.000 0.434 268 F N 1.996 121.725 119.950 -0.369 0.000 2.520 268 F HA 0.576 5.104 4.527 0.001 0.000 0.322 268 F C -1.463 173.831 175.800 -0.843 0.000 1.103 268 F CA -0.655 57.085 58.000 -0.433 0.000 0.926 268 F CB 0.890 39.731 39.000 -0.265 0.000 1.154 268 F HN 0.379 nan 8.300 nan 0.000 0.453 269 F N 3.942 123.197 119.950 -1.159 0.000 2.588 269 F HA 0.701 5.229 4.527 0.001 0.000 0.310 269 F C -1.055 174.152 175.800 -0.989 0.000 1.082 269 F CA -1.149 56.289 58.000 -0.937 0.000 0.929 269 F CB 2.173 40.524 39.000 -1.082 0.000 1.254 269 F HN 0.106 nan 8.300 nan 0.000 0.455 270 V N 3.001 122.731 119.914 -0.307 0.000 2.531 270 V HA 0.659 4.779 4.120 0.001 0.000 0.301 270 V C -0.819 175.392 176.094 0.195 0.000 1.034 270 V CA -0.891 61.333 62.300 -0.127 0.000 0.865 270 V CB 1.655 33.248 31.823 -0.384 0.000 0.995 270 V HN 0.562 nan 8.190 nan 0.000 0.424 271 V N 1.884 121.964 119.914 0.277 0.000 2.581 271 V HA 0.569 4.689 4.120 0.001 0.000 0.303 271 V C -0.006 176.303 176.094 0.357 0.000 1.041 271 V CA -0.912 61.569 62.300 0.301 0.000 0.907 271 V CB 1.925 33.864 31.823 0.194 0.000 0.994 271 V HN 0.800 nan 8.190 nan 0.000 0.442 272 N N 2.672 121.538 118.700 0.277 0.000 2.406 272 N HA 0.111 4.852 4.740 0.001 0.000 0.251 272 N C 0.985 176.471 175.510 -0.040 0.000 1.069 272 N CA 0.320 53.367 53.050 -0.004 0.000 0.947 272 N CB 1.564 39.990 38.487 -0.102 0.000 1.111 272 N HN 0.973 nan 8.380 nan 0.000 0.497 273 T N -0.487 114.046 114.554 -0.035 0.000 3.219 273 T HA 0.134 4.484 4.350 0.001 0.000 0.249 273 T C 0.140 174.799 174.700 -0.068 0.000 1.099 273 T CA 0.101 62.197 62.100 -0.007 0.000 0.988 273 T CB 0.062 69.028 68.868 0.162 0.000 0.999 273 T HN 0.232 nan 8.240 nan 0.000 0.550 274 D N 1.389 121.719 120.400 -0.116 0.000 2.369 274 D HA 0.118 4.758 4.640 0.001 0.000 0.211 274 D C 1.091 177.333 176.300 -0.098 0.000 1.077 274 D CA 0.267 54.202 54.000 -0.109 0.000 0.842 274 D CB 0.544 41.264 40.800 -0.135 0.000 0.947 274 D HN 0.596 nan 8.370 nan 0.000 0.509 275 S N -0.012 115.627 115.700 -0.100 0.000 2.668 275 S HA 0.315 4.786 4.470 0.001 0.000 0.244 275 S C 0.166 174.707 174.600 -0.097 0.000 1.140 275 S CA -0.633 57.525 58.200 -0.071 0.000 1.134 275 S CB -0.446 62.737 63.200 -0.028 0.000 0.954 275 S HN -0.034 nan 8.310 nan 0.000 0.490 276 L N 2.059 123.155 121.223 -0.212 0.000 2.397 276 L HA 0.564 4.905 4.340 0.001 0.000 0.271 276 L C 0.629 177.372 176.870 -0.211 0.000 1.148 276 L CA -0.355 54.282 54.840 -0.338 0.000 0.825 276 L CB 1.246 42.782 42.059 -0.871 0.000 1.117 276 L HN 0.400 nan 8.230 nan 0.000 0.456 277 S N 0.446 116.124 115.700 -0.037 0.000 2.501 277 S HA 0.297 4.768 4.470 0.001 0.000 0.301 277 S C 0.848 175.633 174.600 0.308 0.000 1.096 277 S CA -0.662 57.610 58.200 0.120 0.000 1.063 277 S CB 1.815 65.070 63.200 0.090 0.000 1.042 277 S HN 0.617 nan 8.310 nan 0.000 0.494 278 S N 2.668 118.555 115.700 0.311 0.000 2.383 278 S HA -0.075 4.395 4.470 0.001 0.000 0.227 278 S C 1.694 176.392 174.600 0.164 0.000 1.026 278 S CA 1.430 59.773 58.200 0.239 0.000 0.981 278 S CB -0.344 62.939 63.200 0.139 0.000 0.818 278 S HN 0.682 nan 8.310 nan 0.000 0.472 279 V N 0.224 120.216 119.914 0.129 0.000 2.685 279 V HA 0.082 4.203 4.120 0.001 0.000 0.244 279 V C 0.868 177.011 176.094 0.082 0.000 1.054 279 V CA 0.711 63.065 62.300 0.090 0.000 1.076 279 V CB -0.898 30.963 31.823 0.064 0.000 0.725 279 V HN 0.274 nan 8.190 nan 0.000 0.467 280 T N 2.301 116.909 114.554 0.089 0.000 2.743 280 T HA 0.304 4.655 4.350 0.001 0.000 0.293 280 T C 0.023 174.784 174.700 0.103 0.000 0.945 280 T CA -0.365 61.778 62.100 0.071 0.000 1.030 280 T CB 0.333 69.236 68.868 0.058 0.000 0.912 280 T HN 0.264 nan 8.240 nan 0.000 0.483 281 N N 2.550 121.301 118.700 0.085 0.000 2.293 281 N HA 0.144 4.885 4.740 0.001 0.000 0.253 281 N C 0.333 175.924 175.510 0.136 0.000 1.248 281 N CA 0.000 53.136 53.050 0.142 0.000 0.845 281 N CB 0.247 38.745 38.487 0.018 0.000 1.073 281 N HN 0.815 nan 8.380 nan 0.000 0.464 282 A N 2.187 125.111 122.820 0.173 0.000 2.531 282 A HA 0.163 4.483 4.320 0.001 0.000 0.236 282 A C 0.346 177.995 177.584 0.109 0.000 1.062 282 A CA 0.233 52.339 52.037 0.114 0.000 0.760 282 A CB 0.001 19.054 19.000 0.088 0.000 0.995 282 A HN 0.546 nan 8.150 nan 0.000 0.501 283 T N 2.794 117.411 114.554 0.105 0.000 2.733 283 T HA 0.414 4.764 4.350 0.001 0.000 0.294 283 T C 0.024 174.820 174.700 0.160 0.000 0.956 283 T CA 0.036 62.210 62.100 0.123 0.000 0.987 283 T CB 0.574 69.519 68.868 0.128 0.000 0.920 283 T HN 0.539 nan 8.240 nan 0.000 0.470 284 S N 4.189 119.984 115.700 0.157 0.000 2.422 284 S HA 0.395 4.865 4.470 0.001 0.000 0.308 284 S C 0.261 175.050 174.600 0.314 0.000 1.097 284 S CA -0.821 57.505 58.200 0.209 0.000 1.099 284 S CB 0.254 63.510 63.200 0.095 0.000 0.976 284 S HN 0.485 nan 8.310 nan 0.000 0.471 285 I N 3.419 124.184 120.570 0.325 0.000 2.379 285 I HA 0.187 4.358 4.170 0.001 0.000 0.290 285 I C 0.823 177.065 176.117 0.209 0.000 1.063 285 I CA -0.096 61.392 61.300 0.314 0.000 1.351 285 I CB -0.064 38.187 38.000 0.418 0.000 1.410 285 I HN 0.669 nan 8.210 nan 0.000 0.505 286 Q N 6.002 125.886 119.800 0.140 0.000 2.311 286 Q HA 0.299 4.640 4.340 0.001 0.000 0.272 286 Q C -0.791 175.120 176.000 -0.148 0.000 1.012 286 Q CA -0.002 55.626 55.803 -0.291 0.000 0.891 286 Q CB 0.861 29.421 28.738 -0.297 0.000 1.201 286 Q HN 0.544 nan 8.270 nan 0.000 0.391 287 I N 3.786 124.247 120.570 -0.182 0.000 2.359 287 I HA 0.176 4.347 4.170 0.001 0.000 0.284 287 I C 0.151 176.241 176.117 -0.044 0.000 1.018 287 I CA -0.491 60.786 61.300 -0.039 0.000 1.173 287 I CB 1.639 39.648 38.000 0.016 0.000 1.326 287 I HN 0.552 nan 8.210 nan 0.000 0.462 288 T N 4.933 119.435 114.554 -0.088 0.000 2.899 288 T HA 0.411 4.761 4.350 0.001 0.000 0.295 288 T C 0.485 175.000 174.700 -0.308 0.000 1.033 288 T CA -0.291 61.711 62.100 -0.164 0.000 1.084 288 T CB 1.099 69.879 68.868 -0.147 0.000 0.979 288 T HN 0.683 nan 8.240 nan 0.000 0.532 289 A N 4.065 126.505 122.820 -0.632 0.000 2.332 289 A HA 0.585 4.906 4.320 0.001 0.000 0.258 289 A C -2.239 174.888 177.584 -0.761 0.000 1.087 289 A CA -1.379 49.883 52.037 -1.293 0.000 0.802 289 A CB -0.344 17.468 19.000 -1.980 0.000 1.042 289 A HN 0.538 nan 8.150 nan 0.000 0.489 290 P HA 0.237 nan 4.420 nan 0.000 0.272 290 P C 0.806 177.894 177.300 -0.353 0.000 1.223 290 P CA 0.495 63.362 63.100 -0.388 0.000 0.784 290 P CB 0.754 32.292 31.700 -0.271 0.000 0.923 291 A N 2.813 125.495 122.820 -0.230 0.000 1.940 291 A HA -0.278 4.043 4.320 0.001 0.000 0.221 291 A C 2.240 179.718 177.584 -0.177 0.000 1.190 291 A CA 2.889 54.816 52.037 -0.184 0.000 0.647 291 A CB -1.974 16.951 19.000 -0.125 0.000 0.821 291 A HN 0.671 nan 8.150 nan 0.000 0.457 292 S N -1.354 114.258 115.700 -0.147 0.000 2.419 292 S HA -0.154 4.317 4.470 0.001 0.000 0.235 292 S C 1.808 176.317 174.600 -0.151 0.000 1.019 292 S CA 1.774 59.905 58.200 -0.115 0.000 0.982 292 S CB -0.378 62.819 63.200 -0.006 0.000 0.789 292 S HN 0.439 nan 8.310 nan 0.000 0.490 293 M N 0.820 120.269 119.600 -0.252 0.000 2.447 293 M HA 0.326 4.807 4.480 0.001 0.000 0.266 293 M C 2.042 178.086 176.300 -0.426 0.000 1.120 293 M CA 0.711 55.789 55.300 -0.369 0.000 1.166 293 M CB -1.168 31.047 32.600 -0.642 0.000 1.349 293 M HN 0.327 nan 8.290 nan 0.000 0.463 294 L N 0.984 121.954 121.223 -0.421 0.000 2.450 294 L HA -0.108 4.232 4.340 0.001 0.000 0.224 294 L C 2.107 178.926 176.870 -0.084 0.000 1.149 294 L CA 0.535 55.230 54.840 -0.243 0.000 0.816 294 L CB -0.817 41.112 42.059 -0.215 0.000 0.932 294 L HN 0.319 nan 8.230 nan 0.000 0.449 295 I N -3.215 117.301 120.570 -0.090 0.000 3.564 295 I HA 0.294 4.464 4.170 0.001 0.000 0.294 295 I C 0.954 177.055 176.117 -0.026 0.000 1.289 295 I CA 0.148 61.413 61.300 -0.057 0.000 1.325 295 I CB -0.319 37.634 38.000 -0.078 0.000 1.039 295 I HN 0.049 nan 8.210 nan 0.000 0.474 296 G N -0.004 108.806 108.800 0.017 0.000 2.634 296 G HA2 0.250 4.210 3.960 0.001 0.000 0.309 296 G HA3 0.250 4.210 3.960 0.001 0.000 0.309 296 G C -1.832 173.114 174.900 0.077 0.000 1.299 296 G CA -0.623 44.490 45.100 0.022 0.000 0.798 296 G HN 0.008 nan 8.290 nan 0.000 0.490 297 D N 0.660 121.041 120.400 -0.031 0.000 2.423 297 D HA 0.502 5.143 4.640 0.001 0.000 0.238 297 D C 0.261 176.477 176.300 -0.139 0.000 1.142 297 D CA 0.953 54.857 54.000 -0.159 0.000 0.884 297 D CB 0.747 41.438 40.800 -0.181 0.000 1.199 297 D HN 0.632 nan 8.370 nan 0.000 0.438 298 H N -1.858 117.063 119.070 -0.248 0.000 2.981 298 H HA 0.550 5.107 4.556 0.001 0.000 0.327 298 H C -1.635 173.556 175.328 -0.229 0.000 1.342 298 H CA -0.999 54.916 56.048 -0.220 0.000 1.123 298 H CB 0.355 30.111 29.762 -0.010 0.000 1.851 298 H HN 0.225 nan 8.280 nan 0.000 0.531 299 Y N 0.247 120.793 120.300 0.410 0.000 2.446 299 Y HA 0.397 4.948 4.550 0.001 0.000 0.345 299 Y C -0.632 175.583 175.900 0.525 0.000 0.984 299 Y CA -1.313 57.031 58.100 0.406 0.000 1.058 299 Y CB 1.907 40.463 38.460 0.161 0.000 1.220 299 Y HN 0.653 nan 8.280 nan 0.000 0.455 300 L N 3.890 125.496 121.223 0.640 0.000 2.315 300 L HA 0.310 4.650 4.340 0.001 0.000 0.283 300 L C 0.517 177.575 176.870 0.314 0.000 1.089 300 L CA -0.147 54.755 54.840 0.103 0.000 0.833 300 L CB 0.151 42.107 42.059 -0.171 0.000 1.170 300 L HN 0.981 nan 8.230 nan 0.000 0.442 301 C N 0.997 120.375 119.300 0.130 0.000 3.336 301 C HA 0.621 5.081 4.460 0.001 0.000 0.291 301 C C 0.126 175.234 174.990 0.197 0.000 1.363 301 C CA -0.303 58.858 59.018 0.239 0.000 1.737 301 C CB -1.202 26.625 27.740 0.146 0.000 2.274 301 C HN 0.882 nan 8.230 nan 0.000 0.663 302 D N -0.510 119.857 120.400 -0.055 0.000 2.787 302 D HA 0.524 5.165 4.640 0.001 0.000 0.215 302 D C -1.573 174.402 176.300 -0.541 0.000 1.246 302 D CA -0.097 53.774 54.000 -0.216 0.000 0.798 302 D CB 2.122 42.829 40.800 -0.155 0.000 1.649 302 D HN 0.023 nan 8.370 nan 0.000 0.507 303 V N 2.483 121.966 119.914 -0.717 0.000 2.525 303 V HA 0.708 4.828 4.120 0.001 0.000 0.299 303 V C -0.540 175.107 176.094 -0.745 0.000 1.034 303 V CA -0.448 61.242 62.300 -1.016 0.000 0.863 303 V CB 1.973 32.734 31.823 -1.770 0.000 0.999 303 V HN 0.687 nan 8.190 nan 0.000 0.423 304 T N 3.500 117.706 114.554 -0.581 0.000 3.011 304 T HA 0.348 4.698 4.350 0.001 0.000 0.303 304 T C -0.845 173.646 174.700 -0.349 0.000 0.997 304 T CA -0.464 61.454 62.100 -0.302 0.000 1.007 304 T CB 0.841 69.629 68.868 -0.133 0.000 1.017 304 T HN 0.532 nan 8.240 nan 0.000 0.443 305 W N 2.350 123.573 121.300 -0.127 0.000 2.251 305 W HA 0.428 5.089 4.660 0.001 0.000 0.327 305 W C 1.160 177.556 176.519 -0.205 0.000 1.361 305 W CA -0.240 57.034 57.345 -0.119 0.000 1.234 305 W CB 0.486 29.956 29.460 0.018 0.000 1.212 305 W HN 0.871 nan 8.180 nan 0.000 0.557 306 A N 2.276 124.983 122.820 -0.189 0.000 1.909 306 A HA 0.184 4.504 4.320 0.001 0.000 0.209 306 A C 1.013 178.522 177.584 -0.124 0.000 1.247 306 A CA 1.555 53.220 52.037 -0.619 0.000 0.660 306 A CB -0.352 17.946 19.000 -1.170 0.000 0.910 306 A HN 0.537 nan 8.150 nan 0.000 0.465 307 T N -5.559 109.033 114.554 0.065 0.000 2.590 307 T HA 0.328 4.678 4.350 0.001 0.000 0.282 307 T C 0.257 175.115 174.700 0.264 0.000 0.989 307 T CA -0.254 61.937 62.100 0.152 0.000 1.091 307 T CB 0.531 69.473 68.868 0.123 0.000 1.460 307 T HN -0.037 nan 8.240 nan 0.000 0.499 308 Q N 0.577 120.497 119.800 0.200 0.000 2.291 308 Q HA 0.040 4.380 4.340 0.001 0.000 0.205 308 Q C 0.824 177.037 176.000 0.354 0.000 0.970 308 Q CA 1.394 57.315 55.803 0.197 0.000 0.876 308 Q CB -0.103 28.722 28.738 0.145 0.000 0.935 308 Q HN 0.845 nan 8.270 nan 0.000 0.455 309 E N 0.044 120.471 120.200 0.378 0.000 2.876 309 E HA 0.204 4.555 4.350 0.001 0.000 0.208 309 E C -0.082 176.776 176.600 0.430 0.000 0.981 309 E CA -0.190 56.448 56.400 0.398 0.000 1.174 309 E CB 0.950 30.800 29.700 0.251 0.000 1.047 309 E HN -0.004 nan 8.360 nan 0.000 0.477 310 R N 1.690 122.453 120.500 0.438 0.000 2.564 310 R HA 0.480 4.820 4.340 0.001 0.000 0.284 310 R C -1.520 174.756 176.300 -0.039 0.000 1.031 310 R CA -0.434 55.799 56.100 0.222 0.000 0.904 310 R CB 1.184 31.512 30.300 0.048 0.000 1.199 310 R HN -0.023 nan 8.270 nan 0.000 0.443 311 I N 3.066 123.438 120.570 -0.329 0.000 2.474 311 I HA 0.354 4.524 4.170 0.001 0.000 0.294 311 I C -0.108 175.679 176.117 -0.550 0.000 1.005 311 I CA -1.078 59.745 61.300 -0.794 0.000 1.113 311 I CB 2.185 39.453 38.000 -1.219 0.000 1.289 311 I HN 0.729 nan 8.210 nan 0.000 0.436 312 S N 6.835 122.204 115.700 -0.553 0.000 2.509 312 S HA 0.846 5.316 4.470 0.001 0.000 0.297 312 S C -0.854 173.406 174.600 -0.567 0.000 1.118 312 S CA -0.733 57.214 58.200 -0.422 0.000 1.074 312 S CB 1.573 64.636 63.200 -0.228 0.000 1.038 312 S HN 0.534 nan 8.310 nan 0.000 0.498 313 L N 2.017 122.922 121.223 -0.530 0.000 2.385 313 L HA 0.523 4.864 4.340 0.001 0.000 0.273 313 L C -0.379 176.179 176.870 -0.519 0.000 0.990 313 L CA -0.737 53.681 54.840 -0.704 0.000 0.821 313 L CB 2.022 43.514 42.059 -0.945 0.000 1.279 313 L HN 0.674 nan 8.230 nan 0.000 0.412 314 Q N 1.919 121.395 119.800 -0.540 0.000 2.293 314 Q HA 0.441 4.781 4.340 0.001 0.000 0.261 314 Q C -1.624 174.158 176.000 -0.364 0.000 0.960 314 Q CA -0.536 55.081 55.803 -0.311 0.000 0.882 314 Q CB 2.071 30.695 28.738 -0.190 0.000 1.275 314 Q HN 0.436 nan 8.270 nan 0.000 0.445 315 W N 2.134 123.414 121.300 -0.033 0.000 2.719 315 W HA 0.646 5.307 4.660 0.001 0.000 0.352 315 W C -0.855 175.725 176.519 0.103 0.000 1.085 315 W CA -0.682 56.693 57.345 0.049 0.000 1.187 315 W CB 1.053 30.511 29.460 -0.003 0.000 1.417 315 W HN 0.391 nan 8.180 nan 0.000 0.557 316 L N 1.988 123.483 121.223 0.453 0.000 2.431 316 L HA 0.550 4.891 4.340 0.001 0.000 0.266 316 L C -0.074 177.013 176.870 0.361 0.000 0.978 316 L CA -1.112 53.948 54.840 0.367 0.000 0.822 316 L CB 1.474 43.749 42.059 0.360 0.000 1.310 316 L HN 0.384 nan 8.230 nan 0.000 0.409 317 R N 2.414 123.083 120.500 0.283 0.000 2.694 317 R HA 0.175 4.515 4.340 0.001 0.000 0.268 317 R C 0.965 177.343 176.300 0.130 0.000 1.061 317 R CA -0.177 56.028 56.100 0.175 0.000 1.133 317 R CB 0.453 30.837 30.300 0.139 0.000 1.020 317 R HN 0.637 nan 8.270 nan 0.000 0.475 318 R N 1.503 121.983 120.500 -0.033 0.000 2.105 318 R HA -0.075 4.265 4.340 0.001 0.000 0.239 318 R C 0.453 176.811 176.300 0.096 0.000 1.135 318 R CA 1.205 57.278 56.100 -0.045 0.000 0.967 318 R CB -0.039 30.185 30.300 -0.127 0.000 0.861 318 R HN 0.502 nan 8.270 nan 0.000 0.442 319 I N 2.569 123.178 120.570 0.066 0.000 2.389 319 I HA -0.028 4.143 4.170 0.001 0.000 0.295 319 I C 0.332 176.516 176.117 0.112 0.000 1.117 319 I CA 0.371 61.714 61.300 0.072 0.000 1.317 319 I CB 1.116 39.141 38.000 0.043 0.000 1.431 319 I HN 0.220 nan 8.210 nan 0.000 0.521 320 Q N 4.507 124.373 119.800 0.109 0.000 2.380 320 Q HA 0.030 4.371 4.340 0.001 0.000 0.254 320 Q C 0.670 176.752 176.000 0.138 0.000 0.927 320 Q CA -0.043 55.840 55.803 0.133 0.000 0.950 320 Q CB -0.156 28.620 28.738 0.063 0.000 1.206 320 Q HN 0.540 nan 8.270 nan 0.000 0.414 321 N N -0.245 118.540 118.700 0.142 0.000 2.325 321 N HA 0.004 4.745 4.740 0.001 0.000 0.182 321 N C -1.183 174.441 175.510 0.190 0.000 1.088 321 N CA 0.366 53.495 53.050 0.133 0.000 0.879 321 N CB 0.610 39.175 38.487 0.131 0.000 0.983 321 N HN 0.305 nan 8.380 nan 0.000 0.471 322 Y N 0.443 120.778 120.300 0.059 0.000 2.298 322 Y HA 0.318 4.869 4.550 0.001 0.000 0.322 322 Y C -1.073 174.874 175.900 0.077 0.000 1.138 322 Y CA -0.950 57.183 58.100 0.055 0.000 1.127 322 Y CB 0.665 39.148 38.460 0.038 0.000 1.178 322 Y HN -0.089 nan 8.280 nan 0.000 0.428 323 S N 3.698 119.323 115.700 -0.126 0.000 2.600 323 S HA 0.916 5.387 4.470 0.001 0.000 0.300 323 S C -1.596 172.908 174.600 -0.161 0.000 1.087 323 S CA -0.869 57.320 58.200 -0.018 0.000 0.965 323 S CB 2.288 65.503 63.200 0.025 0.000 1.089 323 S HN 0.399 nan 8.310 nan 0.000 0.496 324 V N 2.390 122.311 119.914 0.011 0.000 2.525 324 V HA 0.438 4.559 4.120 0.001 0.000 0.299 324 V C -0.536 175.599 176.094 0.068 0.000 1.034 324 V CA -0.566 61.745 62.300 0.019 0.000 0.863 324 V CB 1.697 33.569 31.823 0.083 0.000 0.999 324 V HN 1.027 nan 8.190 nan 0.000 0.423 325 M N 4.094 123.696 119.600 0.004 0.000 2.180 325 M HA 0.439 4.920 4.480 0.001 0.000 0.358 325 M C -0.920 175.382 176.300 0.004 0.000 1.233 325 M CA -0.050 55.233 55.300 -0.028 0.000 1.114 325 M CB 0.737 33.278 32.600 -0.099 0.000 1.594 325 M HN 0.564 nan 8.290 nan 0.000 0.467 326 D N 4.661 125.057 120.400 -0.006 0.000 2.248 326 D HA 0.483 5.124 4.640 0.001 0.000 0.246 326 D C -1.192 175.062 176.300 -0.075 0.000 1.027 326 D CA -0.136 53.855 54.000 -0.015 0.000 0.853 326 D CB 1.691 42.514 40.800 0.039 0.000 1.243 326 D HN 0.496 nan 8.370 nan 0.000 0.462 327 I N 2.231 122.776 120.570 -0.042 0.000 2.362 327 I HA 0.252 4.423 4.170 0.001 0.000 0.289 327 I C -0.589 175.508 176.117 -0.034 0.000 0.994 327 I CA -0.236 61.035 61.300 -0.049 0.000 1.158 327 I CB 1.054 39.069 38.000 0.025 0.000 1.315 327 I HN 0.265 nan 8.210 nan 0.000 0.451 328 c N 4.229 122.796 118.600 -0.054 0.000 2.345 328 c HA 0.567 5.137 4.570 0.001 0.000 0.323 328 c C -0.610 173.607 174.090 0.211 0.000 1.276 328 c CA -0.888 55.483 56.329 0.071 0.000 1.543 328 c CB 0.814 43.364 42.510 0.065 0.000 2.211 328 c HN 0.575 nan 8.230 nan 0.000 0.493 329 D N 0.904 121.415 120.400 0.186 0.000 2.192 329 D HA 0.287 4.928 4.640 0.001 0.000 0.246 329 D C -0.587 175.684 176.300 -0.048 0.000 1.042 329 D CA -0.199 53.871 54.000 0.116 0.000 0.847 329 D CB 1.012 41.829 40.800 0.029 0.000 1.186 329 D HN 0.584 nan 8.370 nan 0.000 0.461 330 Y N 1.405 121.367 120.300 -0.563 0.000 2.359 330 Y HA 0.204 4.755 4.550 0.001 0.000 0.330 330 Y C -0.149 175.452 175.900 -0.499 0.000 1.143 330 Y CA -0.223 57.182 58.100 -1.158 0.000 1.318 330 Y CB 0.790 38.277 38.460 -1.622 0.000 1.234 330 Y HN 0.142 nan 8.280 nan 0.000 0.522 331 D N 5.227 124.950 120.400 -1.129 0.000 2.443 331 D HA 0.079 4.719 4.640 0.001 0.000 0.221 331 D C 0.761 176.497 176.300 -0.940 0.000 1.097 331 D CA -0.071 53.478 54.000 -0.752 0.000 0.865 331 D CB 0.769 41.314 40.800 -0.426 0.000 1.034 331 D HN 0.879 nan 8.370 nan 0.000 0.511 332 E N 1.780 121.585 120.200 -0.658 0.000 2.267 332 E HA -0.204 4.147 4.350 0.001 0.000 0.197 332 E C 1.454 177.937 176.600 -0.194 0.000 0.998 332 E CA 1.124 57.322 56.400 -0.335 0.000 0.830 332 E CB 0.369 30.028 29.700 -0.068 0.000 0.751 332 E HN 0.420 nan 8.360 nan 0.000 0.491 333 S N -0.685 114.896 115.700 -0.198 0.000 2.406 333 S HA -0.083 4.387 4.470 0.001 0.000 0.224 333 S C 2.015 176.557 174.600 -0.096 0.000 1.030 333 S CA 1.119 59.253 58.200 -0.110 0.000 0.958 333 S CB 0.010 63.156 63.200 -0.090 0.000 0.811 333 S HN 0.282 nan 8.310 nan 0.000 0.489 334 S N -0.407 115.208 115.700 -0.141 0.000 2.497 334 S HA 0.459 4.930 4.470 0.001 0.000 0.218 334 S C 1.641 176.207 174.600 -0.056 0.000 1.023 334 S CA 0.646 58.797 58.200 -0.082 0.000 0.913 334 S CB -0.363 62.793 63.200 -0.074 0.000 0.800 334 S HN 1.591 nan 8.310 nan 0.000 0.505 335 G N 1.759 110.472 108.800 -0.145 0.000 2.143 335 G HA2 -0.201 3.760 3.960 0.001 0.000 0.248 335 G HA3 -0.201 3.760 3.960 0.001 0.000 0.248 335 G C 0.067 175.039 174.900 0.119 0.000 0.991 335 G CA 0.044 45.168 45.100 0.041 0.000 0.689 335 G HN 0.498 nan 8.290 nan 0.000 0.522 336 R N -1.525 118.917 120.500 -0.096 0.000 2.782 336 R HA 0.664 5.005 4.340 0.001 0.000 0.258 336 R C -0.700 175.513 176.300 -0.144 0.000 1.055 336 R CA -0.948 55.168 56.100 0.026 0.000 1.065 336 R CB 0.611 30.927 30.300 0.026 0.000 1.172 336 R HN 0.180 nan 8.270 nan 0.000 0.510 337 W N 0.892 122.229 121.300 0.062 0.000 2.417 337 W HA 0.400 5.060 4.660 0.001 0.000 0.315 337 W C -0.047 176.461 176.519 -0.018 0.000 1.045 337 W CA -0.443 56.922 57.345 0.032 0.000 1.221 337 W CB 0.930 30.414 29.460 0.039 0.000 1.309 337 W HN 0.149 nan 8.180 nan 0.000 0.453 338 N N 2.493 121.267 118.700 0.123 0.000 2.362 338 N HA 0.409 5.149 4.740 0.001 0.000 0.298 338 N C -1.387 174.157 175.510 0.056 0.000 1.048 338 N CA -0.472 52.612 53.050 0.057 0.000 0.858 338 N CB 1.863 40.347 38.487 -0.005 0.000 1.218 338 N HN 0.248 nan 8.380 nan 0.000 0.488 339 c N 2.861 121.477 118.600 0.027 0.000 2.357 339 c HA 0.274 4.844 4.570 0.001 0.000 0.300 339 c C 0.188 174.268 174.090 -0.016 0.000 1.074 339 c CA -0.836 55.496 56.329 0.006 0.000 1.566 339 c CB -1.244 41.260 42.510 -0.009 0.000 1.791 339 c HN 0.508 nan 8.230 nan 0.000 0.415 340 L N 2.969 124.185 121.223 -0.013 0.000 2.615 340 L HA 0.009 4.349 4.340 0.001 0.000 0.271 340 L C 1.554 178.403 176.870 -0.036 0.000 1.183 340 L CA 0.546 55.372 54.840 -0.023 0.000 0.933 340 L CB 0.283 42.333 42.059 -0.016 0.000 1.199 340 L HN 0.602 nan 8.230 nan 0.000 0.487 341 V N 4.335 124.223 119.914 -0.043 0.000 2.636 341 V HA -0.339 3.781 4.120 0.001 0.000 0.258 341 V C 2.192 178.247 176.094 -0.064 0.000 1.092 341 V CA 1.825 64.093 62.300 -0.054 0.000 1.110 341 V CB -1.179 30.614 31.823 -0.050 0.000 0.685 341 V HN 0.963 nan 8.190 nan 0.000 0.481 342 A N -0.236 122.550 122.820 -0.057 0.000 2.167 342 A HA -0.060 4.260 4.320 0.001 0.000 0.214 342 A C 2.267 179.794 177.584 -0.096 0.000 1.151 342 A CA 0.891 52.887 52.037 -0.068 0.000 0.735 342 A CB -0.331 18.643 19.000 -0.043 0.000 0.802 342 A HN 0.559 nan 8.150 nan 0.000 0.467 343 R N -0.533 119.919 120.500 -0.080 0.000 2.334 343 R HA 0.130 4.470 4.340 0.001 0.000 0.216 343 R C 0.024 176.233 176.300 -0.152 0.000 0.905 343 R CA -0.147 55.907 56.100 -0.077 0.000 1.064 343 R CB 0.155 30.462 30.300 0.012 0.000 1.046 343 R HN 0.557 nan 8.270 nan 0.000 0.508 344 Q N 0.838 120.536 119.800 -0.170 0.000 2.289 344 Q HA 0.026 4.367 4.340 0.001 0.000 0.273 344 Q C -0.881 174.917 176.000 -0.337 0.000 1.029 344 Q CA 0.531 56.239 55.803 -0.158 0.000 0.896 344 Q CB 0.591 29.270 28.738 -0.098 0.000 1.182 344 Q HN 0.238 nan 8.270 nan 0.000 0.385 345 H N 1.768 120.818 119.070 -0.032 0.000 2.457 345 H HA 0.420 4.977 4.556 0.001 0.000 0.335 345 H C -0.615 174.660 175.328 -0.088 0.000 1.115 345 H CA -0.475 55.546 56.048 -0.045 0.000 1.219 345 H CB 1.028 30.738 29.762 -0.088 0.000 1.471 345 H HN 0.465 nan 8.280 nan 0.000 0.491 346 I N 2.228 122.805 120.570 0.012 0.000 2.377 346 I HA 0.215 4.386 4.170 0.001 0.000 0.293 346 I C -0.159 175.898 176.117 -0.100 0.000 0.987 346 I CA -0.324 60.893 61.300 -0.138 0.000 1.185 346 I CB 1.481 39.355 38.000 -0.210 0.000 1.341 346 I HN 0.569 nan 8.210 nan 0.000 0.455 347 E N 8.309 128.410 120.200 -0.166 0.000 2.191 347 E HA 0.601 4.951 4.350 0.001 0.000 0.263 347 E C -1.185 175.323 176.600 -0.153 0.000 0.881 347 E CA -0.714 55.633 56.400 -0.089 0.000 0.757 347 E CB 1.438 31.119 29.700 -0.032 0.000 1.147 347 E HN 0.624 nan 8.360 nan 0.000 0.414 348 M N 1.170 120.714 119.600 -0.093 0.000 2.691 348 M HA 0.627 5.108 4.480 0.001 0.000 0.293 348 M C -0.929 175.374 176.300 0.005 0.000 1.259 348 M CA -0.995 54.278 55.300 -0.045 0.000 0.827 348 M CB 2.213 34.814 32.600 0.002 0.000 1.753 348 M HN 0.248 nan 8.290 nan 0.000 0.465 349 S N -0.589 115.123 115.700 0.020 0.000 2.521 349 S HA 0.416 4.887 4.470 0.001 0.000 0.295 349 S C 0.092 174.689 174.600 -0.005 0.000 1.098 349 S CA -0.202 57.992 58.200 -0.009 0.000 0.999 349 S CB 1.956 65.115 63.200 -0.069 0.000 1.034 349 S HN 0.892 nan 8.310 nan 0.000 0.483 350 T N 1.723 116.273 114.554 -0.008 0.000 3.065 350 T HA 0.066 4.417 4.350 0.001 0.000 0.252 350 T C 1.307 175.989 174.700 -0.030 0.000 1.099 350 T CA 1.451 63.547 62.100 -0.006 0.000 1.063 350 T CB -0.271 68.600 68.868 0.004 0.000 0.948 350 T HN 0.754 nan 8.240 nan 0.000 0.506 351 T N -2.892 111.627 114.554 -0.057 0.000 3.003 351 T HA 0.620 4.971 4.350 0.001 0.000 0.261 351 T C 1.064 175.607 174.700 -0.262 0.000 1.003 351 T CA 0.322 62.383 62.100 -0.064 0.000 0.917 351 T CB 0.874 69.765 68.868 0.039 0.000 1.084 351 T HN 0.431 nan 8.240 nan 0.000 0.522 352 G N 0.697 109.201 108.800 -0.494 0.000 2.818 352 G HA2 0.468 4.428 3.960 0.001 0.000 0.109 352 G HA3 0.468 4.428 3.960 0.001 0.000 0.109 352 G C -1.606 173.053 174.900 -0.400 0.000 1.206 352 G CA -0.408 44.246 45.100 -0.743 0.000 1.243 352 G HN 0.476 nan 8.290 nan 0.000 0.609 353 W N -0.114 120.900 121.300 -0.476 0.000 2.492 353 W HA 0.799 5.460 4.660 0.001 0.000 0.373 353 W C -0.438 176.030 176.519 -0.084 0.000 1.323 353 W CA -1.336 55.875 57.345 -0.223 0.000 1.406 353 W CB 0.785 30.087 29.460 -0.263 0.000 1.398 353 W HN 0.273 nan 8.180 nan 0.000 0.671 354 V N 2.824 122.819 119.914 0.134 0.000 2.407 354 V HA 0.675 4.795 4.120 0.001 0.000 0.278 354 V C 0.796 176.985 176.094 0.158 0.000 1.037 354 V CA 0.433 62.783 62.300 0.084 0.000 0.900 354 V CB 0.041 31.915 31.823 0.084 0.000 0.983 354 V HN 1.256 nan 8.190 nan 0.000 0.459 355 G N 5.387 114.243 108.800 0.093 0.000 2.855 355 G HA2 -0.215 3.746 3.960 0.001 0.000 0.352 355 G HA3 -0.215 3.746 3.960 0.001 0.000 0.352 355 G C 0.408 175.421 174.900 0.189 0.000 1.415 355 G CA 0.342 45.523 45.100 0.135 0.000 0.871 355 G HN 0.671 nan 8.290 nan 0.000 0.543 356 R N -0.964 119.653 120.500 0.195 0.000 2.057 356 R HA 0.153 4.493 4.340 0.001 0.000 0.229 356 R C 2.159 178.480 176.300 0.034 0.000 1.136 356 R CA 2.174 58.371 56.100 0.162 0.000 0.952 356 R CB -0.104 30.306 30.300 0.183 0.000 0.848 356 R HN 0.471 nan 8.270 nan 0.000 0.430 357 F N -0.755 119.359 119.950 0.273 0.000 2.778 357 F HA 0.276 4.803 4.527 0.001 0.000 0.314 357 F C 0.711 176.578 175.800 0.112 0.000 1.073 357 F CA -0.471 57.639 58.000 0.183 0.000 1.218 357 F CB 0.698 39.805 39.000 0.179 0.000 1.037 357 F HN -0.105 nan 8.300 nan 0.000 0.594 358 R N -0.711 119.970 120.500 0.302 0.000 2.741 358 R HA 0.416 4.757 4.340 0.001 0.000 0.274 358 R C -3.285 173.120 176.300 0.175 0.000 1.029 358 R CA -1.938 54.274 56.100 0.186 0.000 0.880 358 R CB 0.005 30.390 30.300 0.141 0.000 1.264 358 R HN -0.375 nan 8.270 nan 0.000 0.465 359 P HA -0.001 nan 4.420 nan 0.000 0.264 359 P C -0.203 177.147 177.300 0.084 0.000 1.193 359 P CA 0.105 63.258 63.100 0.088 0.000 0.763 359 P CB 0.667 32.395 31.700 0.045 0.000 0.810 360 S N 1.943 117.697 115.700 0.090 0.000 2.573 360 S HA 0.125 4.595 4.470 0.001 0.000 0.277 360 S C 0.113 174.742 174.600 0.047 0.000 1.346 360 S CA -0.672 57.590 58.200 0.103 0.000 1.034 360 S CB 0.067 63.345 63.200 0.130 0.000 0.879 360 S HN 0.487 nan 8.310 nan 0.000 0.528 361 E N 1.338 121.574 120.200 0.060 0.000 2.343 361 E HA 0.502 4.853 4.350 0.001 0.000 0.269 361 E C -2.648 173.943 176.600 -0.015 0.000 1.047 361 E CA -2.169 54.214 56.400 -0.029 0.000 0.874 361 E CB -0.069 29.607 29.700 -0.039 0.000 1.033 361 E HN 0.422 nan 8.360 nan 0.000 0.409 362 P HA 0.139 nan 4.420 nan 0.000 0.288 362 P C -1.023 176.128 177.300 -0.249 0.000 1.267 362 P CA -0.421 62.545 63.100 -0.224 0.000 0.815 362 P CB 0.768 31.952 31.700 -0.860 0.000 0.989 363 H N 2.618 121.689 119.070 0.002 0.000 2.623 363 H HA 0.277 4.834 4.556 0.001 0.000 0.299 363 H C -0.260 175.153 175.328 0.142 0.000 1.052 363 H CA -0.277 55.848 56.048 0.127 0.000 1.231 363 H CB 0.199 30.075 29.762 0.189 0.000 1.389 363 H HN 0.330 nan 8.280 nan 0.000 0.469 364 F N 1.946 122.068 119.950 0.286 0.000 2.399 364 F HA 0.041 4.569 4.527 0.001 0.000 0.342 364 F C 1.530 177.509 175.800 0.298 0.000 1.106 364 F CA -0.563 57.612 58.000 0.291 0.000 1.196 364 F CB 1.009 40.114 39.000 0.175 0.000 1.163 364 F HN 0.398 nan 8.300 nan 0.000 0.547 365 T N 0.994 115.840 114.554 0.487 0.000 2.795 365 T HA 0.022 4.373 4.350 0.001 0.000 0.314 365 T C 1.135 176.025 174.700 0.317 0.000 1.069 365 T CA -0.794 61.533 62.100 0.378 0.000 1.071 365 T CB 0.672 69.748 68.868 0.347 0.000 0.988 365 T HN 0.604 nan 8.240 nan 0.000 0.543 366 L N 1.260 122.625 121.223 0.236 0.000 2.081 366 L HA -0.105 4.235 4.340 0.001 0.000 0.212 366 L C 2.072 179.045 176.870 0.172 0.000 1.080 366 L CA 2.471 57.423 54.840 0.186 0.000 0.754 366 L CB -1.232 40.914 42.059 0.145 0.000 0.893 366 L HN 0.948 nan 8.230 nan 0.000 0.433 367 D N -1.103 119.402 120.400 0.175 0.000 2.363 367 D HA 0.041 4.682 4.640 0.001 0.000 0.220 367 D C 1.660 178.058 176.300 0.163 0.000 0.994 367 D CA 0.795 54.886 54.000 0.151 0.000 0.890 367 D CB -0.564 40.316 40.800 0.134 0.000 0.906 367 D HN 0.485 nan 8.370 nan 0.000 0.530 368 G N 0.440 109.372 108.800 0.220 0.000 2.155 368 G HA2 -0.339 3.621 3.960 0.001 0.000 0.257 368 G HA3 -0.339 3.621 3.960 0.001 0.000 0.257 368 G C 0.934 175.989 174.900 0.258 0.000 0.983 368 G CA 0.406 45.620 45.100 0.189 0.000 0.676 368 G HN 0.409 nan 8.290 nan 0.000 0.528 369 N N -0.077 118.790 118.700 0.279 0.000 2.220 369 N HA 0.224 4.964 4.740 0.001 0.000 0.195 369 N C 0.791 176.441 175.510 0.234 0.000 1.123 369 N CA 1.059 54.245 53.050 0.227 0.000 0.874 369 N CB 0.615 39.195 38.487 0.156 0.000 0.995 369 N HN 0.847 nan 8.380 nan 0.000 0.498 370 S N -0.573 115.305 115.700 0.296 0.000 2.625 370 S HA 0.773 5.244 4.470 0.001 0.000 0.271 370 S C -1.000 173.689 174.600 0.148 0.000 1.161 370 S CA -0.927 57.323 58.200 0.083 0.000 0.820 370 S CB 1.932 65.072 63.200 -0.100 0.000 1.137 370 S HN 0.108 nan 8.310 nan 0.000 0.470 371 F N -2.244 117.520 119.950 -0.309 0.000 2.773 371 F HA 0.811 5.339 4.527 0.001 0.000 0.314 371 F C -2.436 173.121 175.800 -0.405 0.000 1.160 371 F CA -1.512 56.245 58.000 -0.405 0.000 0.920 371 F CB 0.575 38.926 39.000 -1.081 0.000 1.323 371 F HN 0.608 nan 8.300 nan 0.000 0.457 372 Y N 1.140 121.552 120.300 0.186 0.000 2.409 372 Y HA 0.704 5.254 4.550 0.001 0.000 0.343 372 Y C -0.401 175.652 175.900 0.254 0.000 0.973 372 Y CA -0.895 57.308 58.100 0.172 0.000 1.064 372 Y CB 2.370 40.894 38.460 0.108 0.000 1.207 372 Y HN 0.773 nan 8.280 nan 0.000 0.452 373 K N 2.765 123.376 120.400 0.351 0.000 2.523 373 K HA 0.618 4.938 4.320 0.001 0.000 0.257 373 K C -1.777 174.948 176.600 0.208 0.000 0.932 373 K CA -0.515 55.941 56.287 0.282 0.000 0.812 373 K CB 1.750 34.393 32.500 0.240 0.000 1.326 373 K HN 0.709 nan 8.250 nan 0.000 0.433 374 I N 4.366 125.032 120.570 0.160 0.000 2.532 374 I HA 0.430 4.600 4.170 0.001 0.000 0.292 374 I C -0.102 176.087 176.117 0.119 0.000 1.014 374 I CA -0.483 60.887 61.300 0.116 0.000 1.340 374 I CB 0.925 38.984 38.000 0.097 0.000 1.422 374 I HN 0.500 nan 8.210 nan 0.000 0.528 375 I N 3.013 123.658 120.570 0.125 0.000 2.828 375 I HA 0.071 4.241 4.170 0.001 0.000 0.295 375 I C -0.568 175.651 176.117 0.171 0.000 1.459 375 I CA -0.442 60.942 61.300 0.141 0.000 1.015 375 I CB 2.428 40.519 38.000 0.152 0.000 1.345 375 I HN 0.383 nan 8.210 nan 0.000 0.449 376 S N 3.879 119.636 115.700 0.096 0.000 2.510 376 S HA 0.178 4.648 4.470 0.001 0.000 0.279 376 S C -0.192 174.470 174.600 0.103 0.000 1.284 376 S CA -0.448 57.767 58.200 0.024 0.000 1.059 376 S CB 0.001 63.163 63.200 -0.064 0.000 0.901 376 S HN 0.619 nan 8.310 nan 0.000 0.491 377 N N 2.939 121.619 118.700 -0.033 0.000 2.413 377 N HA 0.158 4.898 4.740 0.001 0.000 0.266 377 N C 0.622 176.030 175.510 -0.171 0.000 1.238 377 N CA -0.500 52.378 53.050 -0.288 0.000 0.972 377 N CB 0.083 38.096 38.487 -0.790 0.000 1.210 377 N HN 0.603 nan 8.380 nan 0.000 0.547 378 E N -1.067 119.019 120.200 -0.190 0.000 2.333 378 E HA -0.187 4.164 4.350 0.001 0.000 0.200 378 E C 0.015 176.555 176.600 -0.100 0.000 1.010 378 E CA 1.157 57.492 56.400 -0.107 0.000 0.841 378 E CB 0.136 29.777 29.700 -0.098 0.000 0.757 378 E HN 0.524 nan 8.360 nan 0.000 0.508 379 E N -1.543 118.596 120.200 -0.101 0.000 2.481 379 E HA 0.157 4.508 4.350 0.001 0.000 0.198 379 E C 0.773 177.301 176.600 -0.120 0.000 1.027 379 E CA 0.505 56.878 56.400 -0.045 0.000 0.900 379 E CB 1.091 30.828 29.700 0.061 0.000 0.993 379 E HN 0.257 nan 8.360 nan 0.000 0.482 380 G N 0.038 108.718 108.800 -0.199 0.000 2.159 380 G HA2 -0.273 3.688 3.960 0.001 0.000 0.227 380 G HA3 -0.273 3.688 3.960 0.001 0.000 0.227 380 G C -0.373 174.218 174.900 -0.516 0.000 0.986 380 G CA -0.351 44.523 45.100 -0.378 0.000 0.651 380 G HN 0.234 nan 8.290 nan 0.000 0.523 381 Y N 0.298 120.480 120.300 -0.196 0.000 2.352 381 Y HA 0.631 5.181 4.550 0.001 0.000 0.339 381 Y C 1.037 176.769 175.900 -0.280 0.000 0.992 381 Y CA -0.961 56.999 58.100 -0.233 0.000 1.100 381 Y CB 1.222 39.568 38.460 -0.190 0.000 1.192 381 Y HN 0.033 nan 8.280 nan 0.000 0.458 382 R N 3.364 123.725 120.500 -0.232 0.000 2.291 382 R HA 0.237 4.577 4.340 0.001 0.000 0.333 382 R C -1.072 174.893 176.300 -0.558 0.000 1.082 382 R CA 0.016 55.976 56.100 -0.234 0.000 0.948 382 R CB -0.091 30.128 30.300 -0.134 0.000 1.009 382 R HN 0.730 nan 8.270 nan 0.000 0.460 383 H N 0.741 119.801 119.070 -0.016 0.000 2.855 383 H HA 0.418 4.974 4.556 0.001 0.000 0.363 383 H C -0.262 175.113 175.328 0.077 0.000 1.185 383 H CA -0.824 55.195 56.048 -0.049 0.000 1.174 383 H CB 1.714 31.390 29.762 -0.144 0.000 1.857 383 H HN 0.310 nan 8.280 nan 0.000 0.565 384 I N 1.033 121.667 120.570 0.107 0.000 2.365 384 I HA 0.189 4.360 4.170 0.001 0.000 0.291 384 I C -0.473 175.629 176.117 -0.026 0.000 1.004 384 I CA -0.144 61.166 61.300 0.017 0.000 1.311 384 I CB 0.728 38.676 38.000 -0.086 0.000 1.401 384 I HN 0.324 nan 8.210 nan 0.000 0.491 385 c N 6.929 125.464 118.600 -0.108 0.000 2.441 385 c HA 0.427 4.998 4.570 0.001 0.000 0.318 385 c C -0.593 173.288 174.090 -0.349 0.000 1.222 385 c CA -0.568 55.486 56.329 -0.459 0.000 1.474 385 c CB 0.896 42.966 42.510 -0.733 0.000 2.125 385 c HN 0.653 nan 8.230 nan 0.000 0.479 386 Y N 5.133 125.041 120.300 -0.653 0.000 2.341 386 Y HA 0.681 5.232 4.550 0.001 0.000 0.340 386 Y C -1.154 174.202 175.900 -0.906 0.000 0.997 386 Y CA -0.735 56.918 58.100 -0.745 0.000 1.149 386 Y CB 0.254 38.413 38.460 -0.502 0.000 1.171 386 Y HN 0.612 nan 8.280 nan 0.000 0.494 387 F N 3.811 122.956 119.950 -1.341 0.000 2.532 387 F HA 0.503 5.031 4.527 0.001 0.000 0.321 387 F C -0.409 174.602 175.800 -1.315 0.000 1.089 387 F CA -0.842 56.356 58.000 -1.337 0.000 0.926 387 F CB 1.980 39.887 39.000 -1.821 0.000 1.168 387 F HN 0.362 nan 8.300 nan 0.000 0.459 388 Q N 2.786 122.192 119.800 -0.658 0.000 2.293 388 Q HA 0.391 4.732 4.340 0.001 0.000 0.261 388 Q C 0.729 176.689 176.000 -0.066 0.000 0.960 388 Q CA -0.604 54.974 55.803 -0.376 0.000 0.882 388 Q CB 2.694 31.256 28.738 -0.294 0.000 1.275 388 Q HN 0.724 nan 8.270 nan 0.000 0.445 389 I N 1.129 121.739 120.570 0.067 0.000 2.264 389 I HA -0.260 3.911 4.170 0.001 0.000 0.248 389 I C 0.885 177.115 176.117 0.189 0.000 1.111 389 I CA 1.519 62.967 61.300 0.246 0.000 1.382 389 I CB 0.266 38.422 38.000 0.260 0.000 1.060 389 I HN 0.660 nan 8.210 nan 0.000 0.418 390 D N 1.001 121.459 120.400 0.097 0.000 2.491 390 D HA 0.157 4.797 4.640 0.001 0.000 0.228 390 D C 0.095 176.413 176.300 0.031 0.000 1.183 390 D CA 0.251 54.281 54.000 0.051 0.000 0.827 390 D CB 0.373 41.193 40.800 0.034 0.000 0.989 390 D HN 0.283 nan 8.370 nan 0.000 0.494 391 K N -0.031 120.402 120.400 0.055 0.000 2.482 391 K HA 0.317 4.638 4.320 0.001 0.000 0.257 391 K C 0.796 177.447 176.600 0.084 0.000 0.969 391 K CA -0.698 55.607 56.287 0.031 0.000 0.842 391 K CB 2.614 35.107 32.500 -0.012 0.000 1.359 391 K HN -0.291 nan 8.250 nan 0.000 0.441 392 K N 0.369 120.792 120.400 0.040 0.000 2.067 392 K HA 0.009 4.330 4.320 0.001 0.000 0.203 392 K C 0.507 177.155 176.600 0.080 0.000 1.048 392 K CA 0.904 57.224 56.287 0.055 0.000 0.954 392 K CB 0.134 32.640 32.500 0.010 0.000 0.737 392 K HN 0.513 nan 8.250 nan 0.000 0.444 393 D N -0.112 120.277 120.400 -0.019 0.000 2.301 393 D HA 0.117 4.758 4.640 0.001 0.000 0.287 393 D C -0.165 175.956 176.300 -0.297 0.000 1.179 393 D CA 0.038 53.977 54.000 -0.100 0.000 1.060 393 D CB 0.865 41.603 40.800 -0.104 0.000 1.135 393 D HN 0.084 nan 8.370 nan 0.000 0.531 394 c N -0.453 117.866 118.600 -0.469 0.000 3.113 394 c HA 0.403 4.974 4.570 0.001 0.000 0.376 394 c C -1.296 172.403 174.090 -0.652 0.000 1.077 394 c CA -0.383 55.361 56.329 -0.975 0.000 1.253 394 c CB 0.851 42.691 42.510 -1.116 0.000 1.637 394 c HN 0.476 nan 8.230 nan 0.000 0.535 395 T N 5.407 119.598 114.554 -0.606 0.000 2.772 395 T HA 0.505 4.855 4.350 0.001 0.000 0.288 395 T C -0.532 173.920 174.700 -0.414 0.000 0.994 395 T CA 0.047 61.957 62.100 -0.317 0.000 0.951 395 T CB 0.273 69.097 68.868 -0.072 0.000 0.933 395 T HN 0.454 nan 8.240 nan 0.000 0.447 396 F N 3.497 123.310 119.950 -0.229 0.000 2.538 396 F HA 0.229 4.757 4.527 0.001 0.000 0.371 396 F C 1.605 177.218 175.800 -0.311 0.000 1.087 396 F CA -0.531 57.328 58.000 -0.234 0.000 1.250 396 F CB 0.399 39.281 39.000 -0.197 0.000 1.110 396 F HN 0.577 nan 8.300 nan 0.000 0.570 397 I N -1.046 119.386 120.570 -0.229 0.000 4.187 397 I HA 0.215 4.386 4.170 0.001 0.000 0.326 397 I C 0.339 176.267 176.117 -0.315 0.000 1.302 397 I CA 0.058 60.998 61.300 -0.600 0.000 1.196 397 I CB 0.350 37.780 38.000 -0.949 0.000 1.095 397 I HN 0.480 nan 8.210 nan 0.000 0.411 398 T N 0.744 115.191 114.554 -0.178 0.000 2.932 398 T HA 0.690 5.041 4.350 0.001 0.000 0.289 398 T C -0.507 173.857 174.700 -0.559 0.000 1.039 398 T CA -0.605 61.377 62.100 -0.196 0.000 1.024 398 T CB 2.518 71.354 68.868 -0.055 0.000 1.090 398 T HN 0.522 nan 8.240 nan 0.000 0.496 399 K N -0.253 119.661 120.400 -0.809 0.000 2.571 399 K HA 0.770 5.091 4.320 0.001 0.000 0.289 399 K C -0.459 175.503 176.600 -1.063 0.000 1.028 399 K CA -0.880 54.618 56.287 -1.315 0.000 0.895 399 K CB 1.304 33.389 32.500 -0.692 0.000 1.534 399 K HN 1.556 nan 8.250 nan 0.000 0.421 400 G N -0.347 107.877 108.800 -0.960 0.000 2.357 400 G HA2 -0.009 3.951 3.960 0.001 0.000 0.643 400 G HA3 -0.009 3.951 3.960 0.001 0.000 0.643 400 G C -0.778 173.546 174.900 -0.959 0.000 1.358 400 G CA -0.496 44.198 45.100 -0.677 0.000 0.986 400 G HN 0.463 nan 8.290 nan 0.000 0.620 401 T N 2.358 116.514 114.554 -0.664 0.000 3.624 401 T HA 0.417 4.768 4.350 0.001 0.000 0.231 401 T C 0.040 174.461 174.700 -0.464 0.000 0.865 401 T CA 1.020 62.590 62.100 -0.883 0.000 0.926 401 T CB -1.141 67.511 68.868 -0.360 0.000 1.189 401 T HN 0.628 nan 8.240 nan 0.000 0.640 402 W N -0.368 120.724 121.300 -0.347 0.000 2.961 402 W HA 0.633 5.293 4.660 0.001 0.000 0.368 402 W C -1.252 175.284 176.519 0.029 0.000 1.213 402 W CA -1.004 56.316 57.345 -0.041 0.000 1.173 402 W CB 0.939 30.384 29.460 -0.025 0.000 1.487 402 W HN -0.118 nan 8.180 nan 0.000 0.585 403 E N 0.925 121.302 120.200 0.296 0.000 2.293 403 E HA 0.381 4.731 4.350 0.001 0.000 0.270 403 E C -1.150 175.606 176.600 0.261 0.000 0.879 403 E CA -1.103 55.310 56.400 0.021 0.000 0.756 403 E CB 3.501 33.267 29.700 0.111 0.000 1.208 403 E HN 0.164 nan 8.360 nan 0.000 0.428 404 V N 4.445 124.393 119.914 0.057 0.000 2.470 404 V HA -0.024 4.097 4.120 0.001 0.000 0.276 404 V C 1.263 177.471 176.094 0.190 0.000 1.040 404 V CA 0.165 62.582 62.300 0.195 0.000 1.008 404 V CB 0.244 32.069 31.823 0.004 0.000 0.990 404 V HN 0.682 nan 8.190 nan 0.000 0.477 405 I N 3.523 124.235 120.570 0.237 0.000 2.400 405 I HA 0.253 4.424 4.170 0.001 0.000 0.248 405 I C 1.153 177.393 176.117 0.205 0.000 1.109 405 I CA 1.094 62.522 61.300 0.213 0.000 1.425 405 I CB -0.794 37.277 38.000 0.118 0.000 1.094 405 I HN 0.729 nan 8.210 nan 0.000 0.425 406 G N 0.589 109.510 108.800 0.201 0.000 2.703 406 G HA2 0.549 4.509 3.960 0.001 0.000 0.294 406 G HA3 0.549 4.509 3.960 0.001 0.000 0.294 406 G C -1.260 173.738 174.900 0.162 0.000 1.451 406 G CA -0.528 44.681 45.100 0.183 0.000 0.869 406 G HN -0.046 nan 8.290 nan 0.000 0.516 407 I N 1.670 122.269 120.570 0.050 0.000 2.325 407 I HA 0.246 4.417 4.170 0.001 0.000 0.291 407 I C 0.597 176.652 176.117 -0.103 0.000 1.019 407 I CA -0.515 60.711 61.300 -0.124 0.000 1.302 407 I CB 1.732 39.403 38.000 -0.549 0.000 1.401 407 I HN 0.500 nan 8.210 nan 0.000 0.485 408 E N 4.919 125.128 120.200 0.017 0.000 2.340 408 E HA 0.344 4.695 4.350 0.001 0.000 0.198 408 E C 0.146 176.698 176.600 -0.080 0.000 0.961 408 E CA 0.190 56.650 56.400 0.100 0.000 0.905 408 E CB 0.976 30.821 29.700 0.242 0.000 0.884 408 E HN 0.692 nan 8.360 nan 0.000 0.491 409 A N 0.457 123.139 122.820 -0.230 0.000 2.597 409 A HA 0.616 4.937 4.320 0.001 0.000 0.292 409 A C -2.059 175.462 177.584 -0.104 0.000 1.057 409 A CA -0.645 51.198 52.037 -0.324 0.000 0.674 409 A CB 1.164 19.487 19.000 -1.129 0.000 1.278 409 A HN 0.034 nan 8.150 nan 0.000 0.416 410 L N 1.019 122.223 121.223 -0.032 0.000 2.505 410 L HA 0.781 5.122 4.340 0.001 0.000 0.266 410 L C 0.027 176.934 176.870 0.061 0.000 0.954 410 L CA 0.541 55.390 54.840 0.016 0.000 0.852 410 L CB 2.160 44.242 42.059 0.040 0.000 1.282 410 L HN 1.294 nan 8.230 nan 0.000 0.403 411 T N -0.363 114.241 114.554 0.084 0.000 2.905 411 T HA 0.434 4.785 4.350 0.001 0.000 0.283 411 T C 1.056 175.794 174.700 0.063 0.000 1.031 411 T CA 0.032 62.190 62.100 0.097 0.000 1.002 411 T CB 1.228 70.192 68.868 0.161 0.000 1.200 411 T HN 0.659 nan 8.240 nan 0.000 0.560 412 S N -0.360 115.376 115.700 0.060 0.000 2.419 412 S HA -0.102 4.368 4.470 0.001 0.000 0.233 412 S C 0.961 175.535 174.600 -0.044 0.000 1.016 412 S CA 1.077 59.296 58.200 0.031 0.000 0.974 412 S CB -0.493 62.728 63.200 0.036 0.000 0.786 412 S HN 0.737 nan 8.310 nan 0.000 0.492 413 D N -0.925 119.427 120.400 -0.080 0.000 2.431 413 D HA 0.214 4.855 4.640 0.001 0.000 0.227 413 D C -0.576 175.359 176.300 -0.608 0.000 1.030 413 D CA 0.555 54.372 54.000 -0.306 0.000 0.897 413 D CB 0.335 40.959 40.800 -0.293 0.000 1.058 413 D HN 0.380 nan 8.370 nan 0.000 0.500 414 Y N 0.291 120.524 120.300 -0.113 0.000 2.499 414 Y HA 0.461 5.012 4.550 0.001 0.000 0.347 414 Y C -0.371 175.355 175.900 -0.290 0.000 0.987 414 Y CA -0.856 57.087 58.100 -0.262 0.000 1.044 414 Y CB 2.272 40.437 38.460 -0.491 0.000 1.245 414 Y HN -0.253 nan 8.280 nan 0.000 0.461 415 L N 3.224 124.329 121.223 -0.196 0.000 2.307 415 L HA 0.558 4.899 4.340 0.001 0.000 0.284 415 L C -1.721 175.033 176.870 -0.194 0.000 1.023 415 L CA -0.681 54.035 54.840 -0.208 0.000 0.810 415 L CB 0.711 42.570 42.059 -0.335 0.000 1.231 415 L HN 0.599 nan 8.230 nan 0.000 0.423 416 Y N 5.088 125.335 120.300 -0.089 0.000 2.335 416 Y HA 0.441 4.991 4.550 0.001 0.000 0.339 416 Y C -0.407 175.501 175.900 0.013 0.000 0.987 416 Y CA -0.352 57.685 58.100 -0.106 0.000 1.140 416 Y CB 0.882 39.155 38.460 -0.312 0.000 1.173 416 Y HN 0.493 nan 8.280 nan 0.000 0.486 417 Y N 0.345 120.696 120.300 0.084 0.000 2.605 417 Y HA 0.831 5.382 4.550 0.001 0.000 0.343 417 Y C -1.388 174.602 175.900 0.149 0.000 1.036 417 Y CA -2.350 55.804 58.100 0.089 0.000 1.065 417 Y CB 1.039 39.538 38.460 0.066 0.000 1.288 417 Y HN 0.389 nan 8.280 nan 0.000 0.481 418 I N 2.900 123.600 120.570 0.216 0.000 2.359 418 I HA 0.580 4.750 4.170 0.001 0.000 0.294 418 I C -0.230 176.061 176.117 0.289 0.000 0.987 418 I CA -0.258 61.134 61.300 0.154 0.000 1.225 418 I CB 1.684 39.739 38.000 0.092 0.000 1.366 418 I HN 0.869 nan 8.210 nan 0.000 0.466 419 S N 3.277 119.136 115.700 0.265 0.000 2.651 419 S HA 0.425 4.896 4.470 0.001 0.000 0.279 419 S C -0.393 174.303 174.600 0.160 0.000 1.148 419 S CA -0.889 57.477 58.200 0.277 0.000 0.837 419 S CB 1.648 65.039 63.200 0.318 0.000 1.138 419 S HN 0.629 nan 8.310 nan 0.000 0.478 420 N N -0.333 118.465 118.700 0.163 0.000 2.320 420 N HA 0.148 4.889 4.740 0.001 0.000 0.237 420 N C 0.619 176.153 175.510 0.041 0.000 1.129 420 N CA -0.264 52.837 53.050 0.084 0.000 0.854 420 N CB 0.151 38.672 38.487 0.058 0.000 1.083 420 N HN 0.798 nan 8.380 nan 0.000 0.504 421 E N -0.059 120.037 120.200 -0.173 0.000 2.038 421 E HA -0.223 4.128 4.350 0.001 0.000 0.195 421 E C -0.334 176.147 176.600 -0.198 0.000 1.000 421 E CA 0.554 56.602 56.400 -0.586 0.000 0.803 421 E CB -0.096 28.728 29.700 -1.459 0.000 0.750 421 E HN 0.414 nan 8.360 nan 0.000 0.448 422 Y N 1.833 122.057 120.300 -0.126 0.000 2.810 422 Y HA -0.153 4.397 4.550 0.001 0.000 0.332 422 Y C 0.387 176.259 175.900 -0.046 0.000 1.243 422 Y CA 0.808 58.877 58.100 -0.051 0.000 1.537 422 Y CB 0.149 38.606 38.460 -0.005 0.000 1.265 422 Y HN 0.068 nan 8.280 nan 0.000 0.572 423 K N 3.636 123.714 120.400 -0.537 0.000 2.914 423 K HA -0.277 4.043 4.320 0.001 0.000 0.253 423 K C 0.949 177.480 176.600 -0.116 0.000 0.986 423 K CA 0.837 56.903 56.287 -0.368 0.000 0.730 423 K CB -1.801 30.423 32.500 -0.459 0.000 1.228 423 K HN 1.237 nan 8.250 nan 0.000 0.483 424 G N 0.167 108.921 108.800 -0.076 0.000 2.187 424 G HA2 -0.346 3.615 3.960 0.001 0.000 0.261 424 G HA3 -0.346 3.615 3.960 0.001 0.000 0.261 424 G C 0.055 174.943 174.900 -0.021 0.000 1.000 424 G CA 0.833 45.936 45.100 0.006 0.000 0.718 424 G HN 0.365 nan 8.290 nan 0.000 0.519 425 M N 0.517 120.035 119.600 -0.137 0.000 2.094 425 M HA 0.283 4.764 4.480 0.001 0.000 0.348 425 M C -1.235 174.848 176.300 -0.363 0.000 1.267 425 M CA -1.968 53.086 55.300 -0.411 0.000 1.125 425 M CB 1.587 34.021 32.600 -0.277 0.000 1.527 425 M HN -0.139 nan 8.290 nan 0.000 0.447 426 P HA -0.036 nan 4.420 nan 0.000 0.226 426 P C 1.112 178.305 177.300 -0.177 0.000 1.153 426 P CA 0.869 63.832 63.100 -0.228 0.000 0.777 426 P CB 0.192 31.762 31.700 -0.217 0.000 0.794 427 G N -0.986 107.649 108.800 -0.274 0.000 3.189 427 G HA2 0.277 4.237 3.960 0.001 0.000 0.225 427 G HA3 0.277 4.237 3.960 0.001 0.000 0.225 427 G C 0.648 175.584 174.900 0.059 0.000 1.159 427 G CA 0.036 45.092 45.100 -0.074 0.000 0.763 427 G HN 0.376 nan 8.290 nan 0.000 0.549 428 G N -0.077 108.699 108.800 -0.040 0.000 2.437 428 G HA2 0.631 4.592 3.960 0.001 0.000 0.319 428 G HA3 0.631 4.592 3.960 0.001 0.000 0.319 428 G C -0.763 174.050 174.900 -0.145 0.000 1.158 428 G CA -0.701 44.397 45.100 -0.005 0.000 0.899 428 G HN 0.084 nan 8.290 nan 0.000 0.502 429 R N 1.084 121.439 120.500 -0.242 0.000 2.564 429 R HA 0.414 4.755 4.340 0.001 0.000 0.284 429 R C -1.279 174.975 176.300 -0.078 0.000 1.031 429 R CA -0.794 55.133 56.100 -0.288 0.000 0.904 429 R CB 2.124 32.012 30.300 -0.687 0.000 1.199 429 R HN 0.614 nan 8.270 nan 0.000 0.443 430 N N 1.538 120.221 118.700 -0.028 0.000 2.329 430 N HA 0.331 5.072 4.740 0.001 0.000 0.282 430 N C -1.291 174.055 175.510 -0.273 0.000 1.198 430 N CA -0.834 52.120 53.050 -0.160 0.000 0.790 430 N CB 2.701 40.960 38.487 -0.380 0.000 1.579 430 N HN 0.240 nan 8.380 nan 0.000 0.475 431 L N 2.050 122.979 121.223 -0.490 0.000 2.305 431 L HA 0.463 4.803 4.340 0.001 0.000 0.281 431 L C -1.343 175.099 176.870 -0.712 0.000 1.085 431 L CA 0.138 54.704 54.840 -0.456 0.000 0.813 431 L CB -0.139 41.649 42.059 -0.451 0.000 1.157 431 L HN 0.433 nan 8.230 nan 0.000 0.436 432 Y N 3.075 123.027 120.300 -0.580 0.000 2.634 432 Y HA 0.653 5.203 4.550 0.001 0.000 0.340 432 Y C -0.569 175.006 175.900 -0.541 0.000 1.058 432 Y CA -0.961 56.772 58.100 -0.611 0.000 1.081 432 Y CB 1.649 39.588 38.460 -0.868 0.000 1.295 432 Y HN 0.539 nan 8.280 nan 0.000 0.487 433 K N 1.035 121.295 120.400 -0.234 0.000 2.422 433 K HA 0.767 5.087 4.320 0.001 0.000 0.251 433 K C -1.902 174.695 176.600 -0.005 0.000 0.933 433 K CA -0.767 55.334 56.287 -0.309 0.000 0.798 433 K CB 2.888 34.925 32.500 -0.772 0.000 1.238 433 K HN 0.691 nan 8.250 nan 0.000 0.428 434 I N 1.839 122.469 120.570 0.100 0.000 2.406 434 I HA 0.141 4.311 4.170 0.001 0.000 0.290 434 I C -0.609 175.598 176.117 0.150 0.000 0.999 434 I CA -0.682 60.721 61.300 0.172 0.000 1.124 434 I CB 1.813 39.922 38.000 0.182 0.000 1.289 434 I HN 0.819 nan 8.210 nan 0.000 0.441 435 Q N 6.482 126.358 119.800 0.127 0.000 2.263 435 Q HA 0.118 4.459 4.340 0.001 0.000 0.270 435 Q C 0.249 176.156 176.000 -0.155 0.000 1.104 435 Q CA 0.030 55.709 55.803 -0.207 0.000 0.909 435 Q CB 0.904 29.581 28.738 -0.101 0.000 1.214 435 Q HN 0.852 nan 8.270 nan 0.000 0.400 436 L N 2.621 123.688 121.223 -0.260 0.000 2.201 436 L HA -0.155 4.186 4.340 0.001 0.000 0.212 436 L C 2.144 178.882 176.870 -0.219 0.000 1.105 436 L CA 1.249 56.017 54.840 -0.120 0.000 0.775 436 L CB -0.291 41.681 42.059 -0.146 0.000 0.913 436 L HN 0.684 nan 8.230 nan 0.000 0.440 437 S N -2.512 113.030 115.700 -0.264 0.000 2.562 437 S HA -0.031 4.439 4.470 0.001 0.000 0.221 437 S C 0.455 174.869 174.600 -0.310 0.000 0.975 437 S CA 0.022 58.058 58.200 -0.274 0.000 0.918 437 S CB 0.041 63.120 63.200 -0.201 0.000 0.772 437 S HN 0.338 nan 8.310 nan 0.000 0.531 438 D N -0.164 120.059 120.400 -0.294 0.000 2.351 438 D HA 0.201 4.842 4.640 0.001 0.000 0.235 438 D C -0.453 175.791 176.300 -0.093 0.000 1.331 438 D CA -0.549 53.305 54.000 -0.244 0.000 0.959 438 D CB 0.110 40.834 40.800 -0.127 0.000 1.432 438 D HN -0.037 nan 8.370 nan 0.000 0.544 439 Y N 0.815 121.082 120.300 -0.055 0.000 2.465 439 Y HA -0.131 4.420 4.550 0.001 0.000 0.289 439 Y C 2.564 178.459 175.900 -0.009 0.000 1.150 439 Y CA 1.516 59.595 58.100 -0.036 0.000 1.293 439 Y CB -0.989 37.448 38.460 -0.039 0.000 0.977 439 Y HN 0.410 nan 8.280 nan 0.000 0.556 440 T N -2.834 111.793 114.554 0.121 0.000 3.055 440 T HA -0.023 4.327 4.350 0.001 0.000 0.265 440 T C 0.711 175.455 174.700 0.074 0.000 1.111 440 T CA 0.257 62.406 62.100 0.081 0.000 1.118 440 T CB -0.071 68.821 68.868 0.040 0.000 0.909 440 T HN -0.034 nan 8.240 nan 0.000 0.501 441 K N 2.617 123.061 120.400 0.074 0.000 2.184 441 K HA 0.466 4.787 4.320 0.001 0.000 0.259 441 K C -1.072 175.594 176.600 0.111 0.000 1.119 441 K CA -0.255 56.077 56.287 0.076 0.000 0.991 441 K CB 1.184 33.721 32.500 0.061 0.000 1.522 441 K HN 0.176 nan 8.250 nan 0.000 0.405 442 V N 2.607 122.584 119.914 0.104 0.000 2.370 442 V HA 0.225 4.346 4.120 0.001 0.000 0.283 442 V C 0.094 176.244 176.094 0.093 0.000 1.023 442 V CA -0.577 61.796 62.300 0.121 0.000 0.857 442 V CB 1.647 33.549 31.823 0.131 0.000 0.985 442 V HN 0.532 nan 8.190 nan 0.000 0.443 443 T N 3.909 118.498 114.554 0.059 0.000 2.758 443 T HA 0.225 4.576 4.350 0.001 0.000 0.285 443 T C -0.238 174.432 174.700 -0.049 0.000 0.981 443 T CA -0.235 61.859 62.100 -0.009 0.000 0.965 443 T CB 1.081 69.898 68.868 -0.085 0.000 0.927 443 T HN 0.746 nan 8.240 nan 0.000 0.448 444 C N 5.143 124.376 119.300 -0.112 0.000 2.499 444 C HA 0.408 4.868 4.460 0.001 0.000 0.386 444 C C 1.497 176.207 174.990 -0.466 0.000 1.293 444 C CA -0.458 58.261 59.018 -0.499 0.000 1.884 444 C CB -1.687 25.726 27.740 -0.545 0.000 2.509 444 C HN 0.976 nan 8.230 nan 0.000 0.566 445 L N 4.589 125.473 121.223 -0.566 0.000 2.664 445 L HA 0.134 4.475 4.340 0.001 0.000 0.233 445 L C 1.931 178.492 176.870 -0.514 0.000 1.113 445 L CA 0.558 55.143 54.840 -0.425 0.000 0.896 445 L CB -0.030 41.810 42.059 -0.364 0.000 1.163 445 L HN 0.873 nan 8.230 nan 0.000 0.497 446 S N -3.374 111.915 115.700 -0.685 0.000 2.628 446 S HA -0.014 4.456 4.470 0.001 0.000 0.246 446 S C 1.695 175.940 174.600 -0.591 0.000 1.062 446 S CA -0.111 57.600 58.200 -0.815 0.000 1.028 446 S CB -0.255 62.079 63.200 -1.444 0.000 0.985 446 S HN 0.271 nan 8.310 nan 0.000 0.551 447 C N 2.655 121.576 119.300 -0.632 0.000 2.403 447 C HA 0.028 4.489 4.460 0.001 0.000 0.277 447 C C 1.986 176.714 174.990 -0.438 0.000 1.248 447 C CA 0.985 59.556 59.018 -0.745 0.000 1.762 447 C CB -0.852 26.132 27.740 -1.260 0.000 2.014 447 C HN 0.592 nan 8.230 nan 0.000 0.486 448 E N 0.251 120.271 120.200 -0.300 0.000 2.501 448 E HA 0.215 4.565 4.350 0.001 0.000 0.200 448 E C 1.665 178.215 176.600 -0.083 0.000 1.016 448 E CA -0.055 56.262 56.400 -0.138 0.000 0.921 448 E CB -0.260 29.380 29.700 -0.100 0.000 1.034 448 E HN 0.629 nan 8.360 nan 0.000 0.468 449 L N 0.360 121.529 121.223 -0.090 0.000 2.083 449 L HA -0.042 4.298 4.340 0.001 0.000 0.209 449 L C 1.021 177.900 176.870 0.014 0.000 1.083 449 L CA 0.965 55.786 54.840 -0.031 0.000 0.752 449 L CB -0.005 42.045 42.059 -0.015 0.000 0.899 449 L HN 0.037 nan 8.230 nan 0.000 0.433 450 N N -1.523 117.199 118.700 0.037 0.000 2.884 450 N HA 0.091 4.832 4.740 0.001 0.000 0.211 450 N C -2.223 173.306 175.510 0.031 0.000 1.442 450 N CA -0.511 52.557 53.050 0.030 0.000 0.757 450 N CB 1.074 39.582 38.487 0.034 0.000 1.461 450 N HN -0.145 nan 8.380 nan 0.000 0.557 451 P HA 0.007 nan 4.420 nan 0.000 0.222 451 P C 0.651 177.984 177.300 0.054 0.000 1.153 451 P CA 1.039 64.178 63.100 0.064 0.000 0.798 451 P CB 0.775 32.532 31.700 0.094 0.000 0.796 452 E N -0.101 120.115 120.200 0.028 0.000 2.107 452 E HA -0.096 4.254 4.350 0.001 0.000 0.191 452 E C 2.317 178.912 176.600 -0.009 0.000 0.982 452 E CA 0.898 57.306 56.400 0.013 0.000 0.809 452 E CB -0.446 29.256 29.700 0.003 0.000 0.756 452 E HN 0.179 nan 8.360 nan 0.000 0.459 453 R N -0.593 119.892 120.500 -0.025 0.000 2.189 453 R HA 0.160 4.500 4.340 0.001 0.000 0.203 453 R C -0.357 175.890 176.300 -0.089 0.000 1.012 453 R CA 0.543 56.606 56.100 -0.061 0.000 1.015 453 R CB 0.391 30.651 30.300 -0.067 0.000 0.938 453 R HN 0.131 nan 8.270 nan 0.000 0.472 454 c N 0.883 119.435 118.600 -0.080 0.000 2.383 454 c HA 0.428 4.999 4.570 0.001 0.000 0.330 454 c C -0.117 173.882 174.090 -0.151 0.000 1.168 454 c CA -0.647 55.565 56.329 -0.195 0.000 1.374 454 c CB 1.437 43.821 42.510 -0.209 0.000 2.014 454 c HN 0.526 nan 8.230 nan 0.000 0.439 455 Q N 0.507 120.200 119.800 -0.178 0.000 2.036 455 Q HA 0.193 4.533 4.340 0.001 0.000 0.208 455 Q C -1.041 174.949 176.000 -0.016 0.000 0.770 455 Q CA 0.060 55.848 55.803 -0.026 0.000 0.992 455 Q CB 1.345 30.115 28.738 0.054 0.000 1.209 455 Q HN 0.792 nan 8.270 nan 0.000 0.445 456 Y N 0.424 120.544 120.300 -0.299 0.000 2.475 456 Y HA 0.348 4.898 4.550 0.001 0.000 0.343 456 Y C -1.733 173.979 175.900 -0.313 0.000 1.068 456 Y CA -0.922 57.056 58.100 -0.205 0.000 1.307 456 Y CB 0.666 39.038 38.460 -0.147 0.000 1.097 456 Y HN -0.063 nan 8.280 nan 0.000 0.530 457 Y N 2.077 122.285 120.300 -0.152 0.000 2.420 457 Y HA 0.619 5.169 4.550 0.001 0.000 0.334 457 Y C 0.501 176.335 175.900 -0.110 0.000 1.094 457 Y CA -0.467 57.565 58.100 -0.112 0.000 1.126 457 Y CB 2.011 40.374 38.460 -0.161 0.000 1.217 457 Y HN 0.501 nan 8.280 nan 0.000 0.462 458 S N 1.164 116.947 115.700 0.137 0.000 2.715 458 S HA 0.890 5.360 4.470 0.001 0.000 0.307 458 S C -1.306 173.362 174.600 0.114 0.000 1.119 458 S CA -0.764 57.504 58.200 0.114 0.000 0.937 458 S CB 1.906 65.184 63.200 0.130 0.000 1.150 458 S HN 0.593 nan 8.310 nan 0.000 0.521 459 V N 0.174 120.151 119.914 0.104 0.000 3.049 459 V HA 0.849 4.970 4.120 0.001 0.000 0.309 459 V C -1.363 174.799 176.094 0.113 0.000 1.148 459 V CA -0.148 62.181 62.300 0.049 0.000 0.990 459 V CB 2.269 34.045 31.823 -0.078 0.000 1.039 459 V HN 1.268 nan 8.190 nan 0.000 0.430 460 S N 4.893 120.654 115.700 0.101 0.000 2.776 460 S HA 0.665 5.136 4.470 0.001 0.000 0.284 460 S C -1.306 173.414 174.600 0.200 0.000 1.160 460 S CA -0.386 57.969 58.200 0.258 0.000 1.051 460 S CB 0.639 64.048 63.200 0.349 0.000 1.037 460 S HN 0.518 nan 8.310 nan 0.000 0.485 461 F N 3.492 123.496 119.950 0.090 0.000 2.384 461 F HA 0.439 4.967 4.527 0.001 0.000 0.338 461 F C 1.418 176.804 175.800 -0.690 0.000 1.103 461 F CA -0.177 57.709 58.000 -0.191 0.000 1.157 461 F CB 1.566 40.450 39.000 -0.193 0.000 1.167 461 F HN 0.698 nan 8.300 nan 0.000 0.529 462 S N 2.223 117.250 115.700 -1.122 0.000 2.596 462 S HA 0.239 4.710 4.470 0.001 0.000 0.260 462 S C -0.259 174.107 174.600 -0.390 0.000 1.336 462 S CA -0.981 56.327 58.200 -1.487 0.000 0.993 462 S CB 0.399 62.781 63.200 -1.362 0.000 0.923 462 S HN 0.556 nan 8.310 nan 0.000 0.567 463 K N 1.693 122.012 120.400 -0.136 0.000 2.447 463 K HA 0.089 4.410 4.320 0.001 0.000 0.281 463 K C 0.570 177.176 176.600 0.010 0.000 1.031 463 K CA 0.703 57.002 56.287 0.020 0.000 1.019 463 K CB -0.106 32.453 32.500 0.099 0.000 0.918 463 K HN 0.791 nan 8.250 nan 0.000 0.476 464 E N 1.703 121.915 120.200 0.021 0.000 4.028 464 E HA -0.348 4.003 4.350 0.001 0.000 0.343 464 E C 0.090 176.679 176.600 -0.017 0.000 0.700 464 E CA 0.470 56.881 56.400 0.018 0.000 1.288 464 E CB -1.408 28.316 29.700 0.040 0.000 1.677 464 E HN 0.848 nan 8.360 nan 0.000 0.424 465 A N -0.227 122.564 122.820 -0.049 0.000 2.969 465 A HA -0.342 3.979 4.320 0.001 0.000 0.252 465 A C 1.149 178.714 177.584 -0.030 0.000 1.377 465 A CA 2.094 54.116 52.037 -0.026 0.000 0.859 465 A CB -2.072 16.794 19.000 -0.224 0.000 1.077 465 A HN 0.372 nan 8.150 nan 0.000 0.671 466 K N -1.564 118.770 120.400 -0.111 0.000 2.148 466 K HA 0.041 4.361 4.320 0.001 0.000 0.204 466 K C 0.293 176.545 176.600 -0.580 0.000 1.050 466 K CA 1.650 57.758 56.287 -0.298 0.000 0.942 466 K CB -0.049 32.278 32.500 -0.287 0.000 0.724 466 K HN 0.708 nan 8.250 nan 0.000 0.446 467 Y N -1.142 119.095 120.300 -0.105 0.000 2.602 467 Y HA 0.352 4.903 4.550 0.001 0.000 0.342 467 Y C -0.982 174.813 175.900 -0.175 0.000 1.029 467 Y CA -1.384 56.643 58.100 -0.122 0.000 1.080 467 Y CB 1.589 40.054 38.460 0.009 0.000 1.284 467 Y HN -0.024 nan 8.280 nan 0.000 0.485 468 Y N -1.186 119.089 120.300 -0.042 0.000 2.442 468 Y HA 0.432 4.982 4.550 0.001 0.000 0.330 468 Y C -1.238 174.669 175.900 0.011 0.000 1.100 468 Y CA -1.401 56.519 58.100 -0.299 0.000 1.034 468 Y CB 1.300 39.067 38.460 -1.154 0.000 1.285 468 Y HN 0.612 nan 8.280 nan 0.000 0.440 469 Q N 4.618 124.553 119.800 0.225 0.000 2.322 469 Q HA 0.480 4.821 4.340 0.001 0.000 0.256 469 Q C -1.471 174.623 176.000 0.157 0.000 0.960 469 Q CA -0.536 55.361 55.803 0.156 0.000 0.934 469 Q CB 0.918 29.719 28.738 0.106 0.000 1.200 469 Q HN 0.940 nan 8.270 nan 0.000 0.435 470 L N 4.152 125.489 121.223 0.190 0.000 2.312 470 L HA 0.499 4.840 4.340 0.001 0.000 0.281 470 L C 0.120 177.083 176.870 0.155 0.000 1.070 470 L CA -0.399 54.529 54.840 0.146 0.000 0.805 470 L CB 1.264 43.360 42.059 0.062 0.000 1.174 470 L HN 0.543 nan 8.230 nan 0.000 0.434 471 R N 3.203 123.779 120.500 0.127 0.000 2.371 471 R HA 0.375 4.716 4.340 0.001 0.000 0.312 471 R C -0.905 175.317 176.300 -0.130 0.000 0.980 471 R CA -0.571 55.461 56.100 -0.113 0.000 0.867 471 R CB 1.198 31.477 30.300 -0.036 0.000 1.163 471 R HN 0.826 nan 8.270 nan 0.000 0.492 472 c N 3.198 121.610 118.600 -0.313 0.000 2.330 472 c HA 0.543 5.113 4.570 0.001 0.000 0.344 472 c C 1.141 175.038 174.090 -0.323 0.000 1.273 472 c CA -0.371 55.658 56.329 -0.500 0.000 1.879 472 c CB 0.900 42.929 42.510 -0.803 0.000 2.376 472 c HN 0.886 nan 8.230 nan 0.000 0.534 473 S N 2.685 118.275 115.700 -0.184 0.000 2.663 473 S HA 0.634 5.104 4.470 0.001 0.000 0.243 473 S C 0.396 174.960 174.600 -0.061 0.000 1.009 473 S CA 0.192 58.335 58.200 -0.095 0.000 0.988 473 S CB -0.138 63.041 63.200 -0.034 0.000 0.896 473 S HN 2.070 nan 8.310 nan 0.000 0.502 474 G N 1.724 110.467 108.800 -0.095 0.000 2.338 474 G HA2 0.447 4.407 3.960 0.001 0.000 0.295 474 G HA3 0.447 4.407 3.960 0.001 0.000 0.295 474 G C -3.205 171.657 174.900 -0.064 0.000 1.461 474 G CA -0.747 44.329 45.100 -0.039 0.000 0.817 474 G HN -0.108 nan 8.290 nan 0.000 0.556 475 P HA 0.193 nan 4.420 nan 0.000 0.261 475 P C 1.177 178.481 177.300 0.006 0.000 1.268 475 P CA 0.747 63.863 63.100 0.027 0.000 0.833 475 P CB 0.823 32.538 31.700 0.025 0.000 1.231 476 G N 0.699 109.436 108.800 -0.105 0.000 2.553 476 G HA2 0.368 4.328 3.960 0.001 0.000 0.278 476 G HA3 0.368 4.328 3.960 0.001 0.000 0.278 476 G C -0.247 174.392 174.900 -0.436 0.000 1.349 476 G CA -0.687 44.268 45.100 -0.241 0.000 1.037 476 G HN 0.056 nan 8.290 nan 0.000 0.508 477 L N 1.178 122.081 121.223 -0.532 0.000 2.456 477 L HA 0.163 4.504 4.340 0.001 0.000 0.272 477 L C -1.785 174.922 176.870 -0.272 0.000 1.189 477 L CA -1.271 53.235 54.840 -0.556 0.000 0.846 477 L CB 0.632 42.453 42.059 -0.398 0.000 1.111 477 L HN 0.253 nan 8.230 nan 0.000 0.475 478 P HA 0.026 nan 4.420 nan 0.000 0.265 478 P C -0.914 176.301 177.300 -0.141 0.000 1.187 478 P CA 0.262 63.271 63.100 -0.151 0.000 0.766 478 P CB 0.490 32.169 31.700 -0.035 0.000 0.820 479 L N 3.968 125.032 121.223 -0.264 0.000 2.438 479 L HA 0.460 4.800 4.340 0.001 0.000 0.270 479 L C -1.457 175.248 176.870 -0.274 0.000 0.972 479 L CA -0.836 53.914 54.840 -0.150 0.000 0.831 479 L CB 1.240 43.240 42.059 -0.099 0.000 1.273 479 L HN 0.339 nan 8.230 nan 0.000 0.405 480 Y N 1.958 122.237 120.300 -0.036 0.000 2.364 480 Y HA 0.658 5.208 4.550 0.001 0.000 0.340 480 Y C 0.420 176.234 175.900 -0.143 0.000 0.975 480 Y CA -0.533 57.527 58.100 -0.066 0.000 1.089 480 Y CB 2.352 40.752 38.460 -0.101 0.000 1.192 480 Y HN 0.536 nan 8.280 nan 0.000 0.454 481 T N 0.545 115.114 114.554 0.024 0.000 2.883 481 T HA 0.680 5.031 4.350 0.001 0.000 0.301 481 T C -1.583 173.018 174.700 -0.165 0.000 1.158 481 T CA -0.846 61.192 62.100 -0.103 0.000 1.007 481 T CB 1.951 70.820 68.868 0.003 0.000 1.186 481 T HN 0.368 nan 8.240 nan 0.000 0.499 482 L N 1.673 122.678 121.223 -0.364 0.000 2.334 482 L HA 0.643 4.983 4.340 0.001 0.000 0.273 482 L C -0.647 175.830 176.870 -0.655 0.000 1.013 482 L CA -0.305 54.341 54.840 -0.324 0.000 0.816 482 L CB 1.216 43.144 42.059 -0.219 0.000 1.278 482 L HN 0.804 nan 8.230 nan 0.000 0.431 483 H N 0.954 119.802 119.070 -0.370 0.000 2.930 483 H HA 0.454 5.011 4.556 0.001 0.000 0.371 483 H C -0.967 174.085 175.328 -0.459 0.000 1.169 483 H CA -0.787 54.923 56.048 -0.563 0.000 1.157 483 H CB 2.150 31.235 29.762 -1.130 0.000 1.789 483 H HN 0.555 nan 8.280 nan 0.000 0.547 484 S N 0.763 116.365 115.700 -0.163 0.000 2.525 484 S HA 0.225 4.695 4.470 0.001 0.000 0.290 484 S C 0.612 175.141 174.600 -0.118 0.000 1.152 484 S CA -0.566 57.556 58.200 -0.129 0.000 1.072 484 S CB 1.739 64.902 63.200 -0.063 0.000 1.027 484 S HN 0.558 nan 8.310 nan 0.000 0.500 485 S N 2.469 118.127 115.700 -0.070 0.000 2.446 485 S HA -0.051 4.420 4.470 0.001 0.000 0.225 485 S C 1.877 176.510 174.600 0.056 0.000 1.016 485 S CA 0.600 58.887 58.200 0.145 0.000 0.943 485 S CB -0.408 62.876 63.200 0.139 0.000 0.786 485 S HN 0.661 nan 8.310 nan 0.000 0.508 486 V N 2.770 122.665 119.914 -0.032 0.000 2.278 486 V HA -0.231 3.890 4.120 0.001 0.000 0.251 486 V C 0.668 176.766 176.094 0.006 0.000 1.062 486 V CA 2.053 64.347 62.300 -0.010 0.000 1.038 486 V CB -0.386 31.412 31.823 -0.043 0.000 0.646 486 V HN 0.567 nan 8.190 nan 0.000 0.447 487 N N -1.101 117.598 118.700 -0.003 0.000 2.305 487 N HA 0.171 4.912 4.740 0.001 0.000 0.248 487 N C -0.633 174.878 175.510 0.002 0.000 1.290 487 N CA 0.275 53.323 53.050 -0.003 0.000 0.873 487 N CB 0.633 39.118 38.487 -0.003 0.000 1.261 487 N HN 0.328 nan 8.380 nan 0.000 0.504 488 D N 1.205 121.623 120.400 0.030 0.000 2.772 488 D HA -0.194 4.446 4.640 0.001 0.000 0.233 488 D C -0.034 176.288 176.300 0.035 0.000 1.143 488 D CA 1.121 55.161 54.000 0.067 0.000 0.700 488 D CB -0.622 40.210 40.800 0.054 0.000 1.076 488 D HN 0.448 nan 8.370 nan 0.000 0.430 489 K N 0.813 121.214 120.400 0.001 0.000 2.339 489 K HA 0.370 4.691 4.320 0.001 0.000 0.286 489 K C 0.846 177.419 176.600 -0.044 0.000 1.050 489 K CA -0.054 56.224 56.287 -0.014 0.000 0.956 489 K CB 0.742 33.226 32.500 -0.027 0.000 0.990 489 K HN 0.073 nan 8.250 nan 0.000 0.475 490 G N 4.078 112.851 108.800 -0.045 0.000 2.265 490 G HA2 0.025 3.985 3.960 0.001 0.000 0.240 490 G HA3 0.025 3.985 3.960 0.001 0.000 0.240 490 G C 0.485 175.255 174.900 -0.217 0.000 1.270 490 G CA -0.243 44.723 45.100 -0.224 0.000 0.901 490 G HN 0.731 nan 8.290 nan 0.000 0.507 491 L N 1.617 122.658 121.223 -0.303 0.000 2.349 491 L HA 0.419 4.759 4.340 0.001 0.000 0.200 491 L C 1.383 178.143 176.870 -0.183 0.000 1.064 491 L CA 0.355 55.079 54.840 -0.193 0.000 0.821 491 L CB 0.230 42.191 42.059 -0.164 0.000 1.027 491 L HN 0.515 nan 8.230 nan 0.000 0.476 492 R N -0.757 119.594 120.500 -0.247 0.000 2.736 492 R HA 0.342 4.683 4.340 0.001 0.000 0.250 492 R C -1.631 174.525 176.300 -0.239 0.000 1.098 492 R CA -0.425 55.556 56.100 -0.199 0.000 0.978 492 R CB 2.060 32.248 30.300 -0.188 0.000 1.263 492 R HN -0.264 nan 8.270 nan 0.000 0.460 493 V N 5.977 125.784 119.914 -0.179 0.000 2.488 493 V HA 0.142 4.262 4.120 0.001 0.000 0.277 493 V C 1.146 177.107 176.094 -0.223 0.000 1.046 493 V CA 0.160 62.362 62.300 -0.164 0.000 0.986 493 V CB 1.342 33.106 31.823 -0.098 0.000 0.989 493 V HN 0.734 nan 8.190 nan 0.000 0.475 494 L N 2.677 123.708 121.223 -0.319 0.000 2.286 494 L HA 0.321 4.661 4.340 0.001 0.000 0.203 494 L C 0.668 177.333 176.870 -0.342 0.000 1.068 494 L CA 0.570 55.044 54.840 -0.609 0.000 0.811 494 L CB 0.277 41.622 42.059 -1.189 0.000 0.989 494 L HN 0.679 nan 8.230 nan 0.000 0.467 495 E N -0.186 119.942 120.200 -0.120 0.000 2.311 495 E HA 0.109 4.459 4.350 0.001 0.000 0.281 495 E C -1.117 175.542 176.600 0.099 0.000 0.905 495 E CA -0.396 56.032 56.400 0.046 0.000 0.778 495 E CB 1.324 31.089 29.700 0.109 0.000 1.240 495 E HN 0.190 nan 8.360 nan 0.000 0.410 496 D N 2.678 123.111 120.400 0.055 0.000 2.441 496 D HA 0.160 4.800 4.640 0.001 0.000 0.210 496 D C -0.148 176.168 176.300 0.025 0.000 1.102 496 D CA -0.181 53.837 54.000 0.031 0.000 0.840 496 D CB 0.091 40.891 40.800 0.001 0.000 0.990 496 D HN 0.435 nan 8.370 nan 0.000 0.505 497 N N 0.032 118.763 118.700 0.052 0.000 2.747 497 N HA -0.204 4.537 4.740 0.001 0.000 0.249 497 N C 0.873 176.392 175.510 0.016 0.000 1.107 497 N CA 0.890 53.965 53.050 0.043 0.000 0.707 497 N CB -1.359 37.144 38.487 0.027 0.000 1.054 497 N HN 0.454 nan 8.380 nan 0.000 0.555 498 S N -0.869 114.841 115.700 0.018 0.000 2.368 498 S HA -0.061 4.409 4.470 0.001 0.000 0.225 498 S C 2.161 176.777 174.600 0.027 0.000 1.030 498 S CA 1.088 59.295 58.200 0.012 0.000 0.999 498 S CB -0.274 62.933 63.200 0.012 0.000 0.844 498 S HN 0.523 nan 8.310 nan 0.000 0.459 499 A N 2.295 125.140 122.820 0.042 0.000 1.903 499 A HA -0.048 4.273 4.320 0.001 0.000 0.219 499 A C 2.295 179.924 177.584 0.075 0.000 1.191 499 A CA 1.719 53.790 52.037 0.057 0.000 0.638 499 A CB -1.027 18.010 19.000 0.063 0.000 0.823 499 A HN 0.525 nan 8.150 nan 0.000 0.451 500 L N -0.812 120.457 121.223 0.077 0.000 2.027 500 L HA -0.205 4.135 4.340 0.001 0.000 0.206 500 L C 2.366 179.270 176.870 0.055 0.000 1.074 500 L CA 2.359 57.259 54.840 0.100 0.000 0.745 500 L CB -0.581 41.536 42.059 0.096 0.000 0.898 500 L HN 0.518 nan 8.230 nan 0.000 0.433 501 D N 0.273 120.677 120.400 0.007 0.000 2.149 501 D HA -0.300 4.341 4.640 0.001 0.000 0.194 501 D C 2.149 178.452 176.300 0.004 0.000 1.001 501 D CA 2.162 56.147 54.000 -0.024 0.000 0.849 501 D CB 0.060 40.839 40.800 -0.034 0.000 0.939 501 D HN 0.436 nan 8.370 nan 0.000 0.449 502 K N -0.453 119.964 120.400 0.029 0.000 2.097 502 K HA -0.119 4.201 4.320 0.001 0.000 0.205 502 K C 2.184 178.821 176.600 0.062 0.000 1.050 502 K CA 1.302 57.613 56.287 0.039 0.000 0.938 502 K CB -0.339 32.188 32.500 0.044 0.000 0.718 502 K HN 0.193 nan 8.250 nan 0.000 0.442 503 M N 1.061 120.722 119.600 0.101 0.000 2.175 503 M HA -0.031 4.449 4.480 0.001 0.000 0.264 503 M C 2.071 178.410 176.300 0.065 0.000 1.063 503 M CA 1.372 56.770 55.300 0.164 0.000 1.119 503 M CB -0.211 32.592 32.600 0.339 0.000 1.377 503 M HN 0.109 nan 8.290 nan 0.000 0.415 504 L N -0.462 120.758 121.223 -0.005 0.000 2.109 504 L HA -0.166 4.175 4.340 0.001 0.000 0.207 504 L C 2.371 179.216 176.870 -0.042 0.000 1.086 504 L CA 1.006 55.794 54.840 -0.087 0.000 0.760 504 L CB -0.812 41.204 42.059 -0.071 0.000 0.910 504 L HN 0.350 nan 8.230 nan 0.000 0.437 505 Q N 0.455 120.248 119.800 -0.013 0.000 2.217 505 Q HA -0.254 4.086 4.340 0.001 0.000 0.209 505 Q C 1.397 177.406 176.000 0.015 0.000 0.988 505 Q CA 1.917 57.720 55.803 -0.000 0.000 0.878 505 Q CB -0.407 28.336 28.738 0.008 0.000 0.909 505 Q HN 0.557 nan 8.270 nan 0.000 0.424 506 N N -0.409 118.307 118.700 0.027 0.000 2.461 506 N HA 0.045 4.786 4.740 0.001 0.000 0.188 506 N C -0.411 175.131 175.510 0.054 0.000 1.134 506 N CA -0.023 53.058 53.050 0.051 0.000 0.878 506 N CB 0.906 39.443 38.487 0.084 0.000 0.972 506 N HN 0.021 nan 8.380 nan 0.000 0.456 507 V N -0.332 119.591 119.914 0.015 0.000 2.823 507 V HA 0.306 4.426 4.120 0.001 0.000 0.312 507 V C -1.198 174.910 176.094 0.023 0.000 1.072 507 V CA -0.902 61.411 62.300 0.023 0.000 0.937 507 V CB 2.045 33.845 31.823 -0.039 0.000 1.013 507 V HN 0.003 nan 8.190 nan 0.000 0.430 508 Q N 5.663 125.500 119.800 0.062 0.000 2.431 508 Q HA 0.333 4.674 4.340 0.001 0.000 0.234 508 Q C -0.512 175.494 176.000 0.010 0.000 1.203 508 Q CA -0.103 55.731 55.803 0.052 0.000 0.902 508 Q CB 0.616 29.434 28.738 0.133 0.000 1.455 508 Q HN 0.610 nan 8.270 nan 0.000 0.515 509 M N 4.056 123.631 119.600 -0.043 0.000 2.249 509 M HA 0.370 4.851 4.480 0.001 0.000 0.351 509 M C -1.990 174.253 176.300 -0.096 0.000 1.180 509 M CA -2.680 52.577 55.300 -0.072 0.000 1.127 509 M CB 0.267 32.823 32.600 -0.072 0.000 1.546 509 M HN 0.328 nan 8.290 nan 0.000 0.461 510 P HA 0.201 nan 4.420 nan 0.000 0.273 510 P C -0.762 176.455 177.300 -0.139 0.000 1.250 510 P CA -0.293 62.723 63.100 -0.140 0.000 0.793 510 P CB 0.398 32.001 31.700 -0.162 0.000 1.011 511 S N -0.802 114.797 115.700 -0.168 0.000 2.648 511 S HA 0.544 5.015 4.470 0.001 0.000 0.305 511 S C -0.479 174.021 174.600 -0.166 0.000 1.094 511 S CA -0.908 57.205 58.200 -0.144 0.000 0.983 511 S CB 1.801 64.918 63.200 -0.138 0.000 1.101 511 S HN 0.428 nan 8.310 nan 0.000 0.514 512 K N 0.847 121.178 120.400 -0.115 0.000 2.274 512 K HA 0.333 4.654 4.320 0.001 0.000 0.262 512 K C -1.039 175.507 176.600 -0.091 0.000 0.961 512 K CA -0.480 55.746 56.287 -0.102 0.000 0.833 512 K CB 1.158 33.623 32.500 -0.059 0.000 1.102 512 K HN 0.660 nan 8.250 nan 0.000 0.436 513 K N 4.772 125.112 120.400 -0.100 0.000 2.206 513 K HA 0.304 4.624 4.320 0.001 0.000 0.264 513 K C -1.458 175.123 176.600 -0.032 0.000 0.967 513 K CA -0.766 55.483 56.287 -0.064 0.000 0.844 513 K CB 0.982 33.437 32.500 -0.075 0.000 1.099 513 K HN 0.391 nan 8.250 nan 0.000 0.441 514 L N 3.981 125.191 121.223 -0.022 0.000 2.349 514 L HA 0.516 4.857 4.340 0.001 0.000 0.278 514 L C -1.143 175.724 176.870 -0.006 0.000 0.996 514 L CA 0.088 54.933 54.840 0.008 0.000 0.825 514 L CB 1.510 43.630 42.059 0.101 0.000 1.243 514 L HN 0.803 nan 8.230 nan 0.000 0.412 515 D N 2.485 122.736 120.400 -0.248 0.000 2.970 515 D HA 0.485 5.125 4.640 0.001 0.000 0.344 515 D C -1.704 174.184 176.300 -0.686 0.000 1.365 515 D CA 0.011 53.740 54.000 -0.452 0.000 0.910 515 D CB 1.544 42.054 40.800 -0.484 0.000 1.445 515 D HN 0.210 nan 8.370 nan 0.000 0.532 516 F N 0.117 119.680 119.950 -0.645 0.000 2.613 516 F HA 0.724 5.252 4.527 0.001 0.000 0.314 516 F C -0.487 175.342 175.800 0.047 0.000 1.075 516 F CA -1.032 56.675 58.000 -0.488 0.000 0.945 516 F CB 0.869 39.198 39.000 -1.119 0.000 1.310 516 F HN 0.317 nan 8.300 nan 0.000 0.467 517 I N 0.090 120.963 120.570 0.505 0.000 3.237 517 I HA 0.711 4.882 4.170 0.001 0.000 0.308 517 I C -1.223 175.154 176.117 0.433 0.000 1.093 517 I CA -1.320 60.220 61.300 0.399 0.000 1.001 517 I CB 2.395 40.572 38.000 0.295 0.000 1.245 517 I HN 0.491 nan 8.210 nan 0.000 0.485 518 I N 3.545 124.301 120.570 0.310 0.000 2.418 518 I HA 0.387 4.558 4.170 0.001 0.000 0.287 518 I C -1.136 175.135 176.117 0.256 0.000 1.008 518 I CA -0.497 60.964 61.300 0.269 0.000 1.104 518 I CB 1.414 39.520 38.000 0.176 0.000 1.264 518 I HN 0.379 nan 8.210 nan 0.000 0.438 519 L N 4.772 126.228 121.223 0.389 0.000 2.294 519 L HA 0.365 4.705 4.340 0.001 0.000 0.283 519 L C 0.863 177.893 176.870 0.267 0.000 1.015 519 L CA 0.009 55.013 54.840 0.272 0.000 0.831 519 L CB 0.606 42.791 42.059 0.210 0.000 1.217 519 L HN 0.819 nan 8.230 nan 0.000 0.420 520 N N 2.313 121.096 118.700 0.138 0.000 2.746 520 N HA -0.217 4.524 4.740 0.001 0.000 0.250 520 N C 0.707 176.268 175.510 0.086 0.000 1.055 520 N CA 1.051 54.158 53.050 0.094 0.000 0.699 520 N CB -2.427 36.108 38.487 0.080 0.000 0.919 520 N HN 0.827 nan 8.380 nan 0.000 0.548 521 E N -2.881 117.362 120.200 0.071 0.000 3.370 521 E HA -0.194 4.156 4.350 0.001 0.000 0.291 521 E C -0.096 176.506 176.600 0.004 0.000 0.916 521 E CA 1.423 57.845 56.400 0.036 0.000 0.981 521 E CB -1.805 27.907 29.700 0.020 0.000 1.498 521 E HN 0.955 nan 8.360 nan 0.000 0.452 522 T N 0.437 115.003 114.554 0.019 0.000 2.885 522 T HA 0.387 4.737 4.350 0.001 0.000 0.285 522 T C -0.198 174.340 174.700 -0.270 0.000 1.019 522 T CA -0.816 61.193 62.100 -0.152 0.000 1.010 522 T CB 1.614 70.368 68.868 -0.190 0.000 1.022 522 T HN -0.004 nan 8.240 nan 0.000 0.466 523 K N 2.020 122.158 120.400 -0.436 0.000 2.258 523 K HA 0.475 4.796 4.320 0.001 0.000 0.284 523 K C -1.152 175.113 176.600 -0.559 0.000 1.051 523 K CA -0.222 55.813 56.287 -0.419 0.000 0.923 523 K CB 0.576 32.702 32.500 -0.624 0.000 1.046 523 K HN 0.379 nan 8.250 nan 0.000 0.474 524 F N 1.844 121.889 119.950 0.159 0.000 2.493 524 F HA 0.322 4.850 4.527 0.001 0.000 0.329 524 F C -0.486 175.496 175.800 0.304 0.000 1.126 524 F CA -0.845 57.303 58.000 0.246 0.000 0.937 524 F CB 0.955 40.163 39.000 0.346 0.000 1.146 524 F HN 0.429 nan 8.300 nan 0.000 0.442 525 W N 3.708 125.195 121.300 0.312 0.000 2.313 525 W HA 0.523 5.183 4.660 0.001 0.000 0.328 525 W C -0.569 176.167 176.519 0.362 0.000 1.197 525 W CA -0.637 56.884 57.345 0.293 0.000 1.235 525 W CB 0.661 30.218 29.460 0.161 0.000 1.158 525 W HN 0.464 nan 8.180 nan 0.000 0.578 526 Y N -0.264 120.386 120.300 0.583 0.000 2.581 526 Y HA 0.627 5.177 4.550 0.001 0.000 0.345 526 Y C -0.838 175.277 175.900 0.358 0.000 1.036 526 Y CA -1.797 56.624 58.100 0.534 0.000 1.042 526 Y CB 1.163 40.078 38.460 0.758 0.000 1.289 526 Y HN 0.549 nan 8.280 nan 0.000 0.471 527 Q N 2.620 122.674 119.800 0.423 0.000 2.377 527 Q HA 0.713 5.053 4.340 0.001 0.000 0.271 527 Q C -1.734 174.395 176.000 0.214 0.000 1.077 527 Q CA -1.123 54.816 55.803 0.227 0.000 0.820 527 Q CB 3.131 31.943 28.738 0.124 0.000 1.347 527 Q HN 0.915 nan 8.270 nan 0.000 0.444 528 M N 2.714 122.366 119.600 0.087 0.000 2.326 528 M HA 0.487 4.967 4.480 0.001 0.000 0.306 528 M C -1.338 174.883 176.300 -0.131 0.000 1.054 528 M CA -0.631 54.633 55.300 -0.060 0.000 0.922 528 M CB 2.336 34.861 32.600 -0.126 0.000 1.632 528 M HN 0.652 nan 8.290 nan 0.000 0.436 529 I N 4.937 125.416 120.570 -0.151 0.000 2.312 529 I HA 0.379 4.549 4.170 0.001 0.000 0.290 529 I C -1.069 174.882 176.117 -0.276 0.000 1.008 529 I CA -0.438 60.749 61.300 -0.188 0.000 1.226 529 I CB 0.811 38.727 38.000 -0.140 0.000 1.371 529 I HN 0.511 nan 8.210 nan 0.000 0.468 530 L N 8.458 129.462 121.223 -0.366 0.000 2.341 530 L HA 0.517 4.857 4.340 0.001 0.000 0.278 530 L C -2.390 174.242 176.870 -0.396 0.000 1.005 530 L CA -1.968 52.522 54.840 -0.583 0.000 0.818 530 L CB 1.609 43.094 42.059 -0.955 0.000 1.259 530 L HN 0.253 nan 8.230 nan 0.000 0.418 531 P HA -0.003 nan 4.420 nan 0.000 0.266 531 P C -2.384 174.886 177.300 -0.050 0.000 1.193 531 P CA -0.585 62.446 63.100 -0.115 0.000 0.770 531 P CB -0.125 31.579 31.700 0.007 0.000 0.836 532 P HA -0.045 nan 4.420 nan 0.000 0.268 532 P C -0.560 176.733 177.300 -0.012 0.000 1.205 532 P CA 0.436 63.462 63.100 -0.123 0.000 0.771 532 P CB -0.022 31.610 31.700 -0.115 0.000 0.858 533 H N -1.925 117.194 119.070 0.081 0.000 2.880 533 H HA -0.194 4.363 4.556 0.001 0.000 0.304 533 H C -0.080 175.337 175.328 0.149 0.000 1.259 533 H CA 0.075 56.178 56.048 0.092 0.000 1.153 533 H CB -2.766 27.039 29.762 0.073 0.000 1.395 533 H HN 0.329 nan 8.280 nan 0.000 0.420 534 F N 2.027 121.976 119.950 -0.002 0.000 2.578 534 F HA 0.236 4.763 4.527 0.001 0.000 0.376 534 F C 0.446 176.264 175.800 0.029 0.000 1.085 534 F CA -0.349 57.621 58.000 -0.049 0.000 1.260 534 F CB 0.542 39.407 39.000 -0.226 0.000 1.095 534 F HN 0.264 nan 8.300 nan 0.000 0.573 535 D N 5.995 126.112 120.400 -0.471 0.000 2.454 535 D HA 0.130 4.770 4.640 0.001 0.000 0.247 535 D C 0.601 176.523 176.300 -0.629 0.000 1.129 535 D CA -0.474 53.287 54.000 -0.399 0.000 0.877 535 D CB 0.920 41.660 40.800 -0.099 0.000 1.082 535 D HN 0.571 nan 8.370 nan 0.000 0.537 536 K N 1.602 121.587 120.400 -0.692 0.000 2.574 536 K HA -0.071 4.250 4.320 0.001 0.000 0.193 536 K C 0.677 177.248 176.600 -0.049 0.000 1.035 536 K CA 0.547 56.590 56.287 -0.406 0.000 0.982 536 K CB -0.163 32.214 32.500 -0.205 0.000 0.795 536 K HN 0.212 nan 8.250 nan 0.000 0.491 537 S N -0.258 115.396 115.700 -0.078 0.000 2.597 537 S HA 0.183 4.654 4.470 0.001 0.000 0.224 537 S C 0.094 174.672 174.600 -0.037 0.000 0.955 537 S CA -0.641 57.543 58.200 -0.027 0.000 0.933 537 S CB 0.054 63.232 63.200 -0.037 0.000 0.788 537 S HN 0.181 nan 8.310 nan 0.000 0.488 538 K N 1.245 121.619 120.400 -0.044 0.000 2.208 538 K HA 0.439 4.760 4.320 0.001 0.000 0.247 538 K C -0.752 175.814 176.600 -0.057 0.000 0.953 538 K CA -0.715 55.498 56.287 -0.124 0.000 0.837 538 K CB 1.494 33.810 32.500 -0.306 0.000 1.131 538 K HN 0.098 nan 8.250 nan 0.000 0.431 539 K N 2.402 122.724 120.400 -0.131 0.000 2.234 539 K HA 0.252 4.572 4.320 0.001 0.000 0.277 539 K C -1.003 175.522 176.600 -0.124 0.000 1.038 539 K CA -0.395 55.870 56.287 -0.036 0.000 0.888 539 K CB 0.667 33.133 32.500 -0.055 0.000 1.091 539 K HN 0.401 nan 8.250 nan 0.000 0.467 540 Y N 3.006 123.344 120.300 0.063 0.000 2.387 540 Y HA 0.256 4.806 4.550 0.001 0.000 0.336 540 Y C -1.952 173.905 175.900 -0.072 0.000 1.067 540 Y CA -2.659 55.461 58.100 0.034 0.000 1.114 540 Y CB 1.006 39.558 38.460 0.154 0.000 1.208 540 Y HN 0.497 nan 8.280 nan 0.000 0.458 541 P HA 0.116 nan 4.420 nan 0.000 0.271 541 P C -1.018 176.226 177.300 -0.093 0.000 1.218 541 P CA -0.109 62.766 63.100 -0.374 0.000 0.780 541 P CB 1.155 32.306 31.700 -0.914 0.000 0.901 542 L N 3.015 124.216 121.223 -0.037 0.000 2.362 542 L HA 0.478 4.819 4.340 0.001 0.000 0.275 542 L C -0.882 176.195 176.870 0.345 0.000 0.998 542 L CA -0.855 54.072 54.840 0.144 0.000 0.820 542 L CB 1.314 43.451 42.059 0.130 0.000 1.270 542 L HN 0.232 nan 8.230 nan 0.000 0.415 543 L N 5.486 126.911 121.223 0.336 0.000 2.287 543 L HA 0.418 4.758 4.340 0.001 0.000 0.287 543 L C -0.953 176.133 176.870 0.358 0.000 1.022 543 L CA -0.866 54.205 54.840 0.385 0.000 0.814 543 L CB 1.701 43.931 42.059 0.284 0.000 1.217 543 L HN 0.582 nan 8.230 nan 0.000 0.420 544 L N 5.256 126.739 121.223 0.434 0.000 2.261 544 L HA 0.290 4.631 4.340 0.001 0.000 0.289 544 L C -0.308 176.793 176.870 0.385 0.000 1.059 544 L CA 0.023 55.112 54.840 0.415 0.000 0.816 544 L CB 0.865 43.218 42.059 0.491 0.000 1.191 544 L HN 0.464 nan 8.230 nan 0.000 0.431 545 D N 4.936 125.538 120.400 0.338 0.000 2.317 545 D HA 0.362 5.002 4.640 0.001 0.000 0.234 545 D C -0.844 175.530 176.300 0.124 0.000 1.112 545 D CA -0.266 53.858 54.000 0.207 0.000 0.840 545 D CB 1.269 42.293 40.800 0.374 0.000 1.078 545 D HN 0.298 nan 8.370 nan 0.000 0.486 546 V N 2.643 122.554 119.914 -0.005 0.000 2.628 546 V HA 0.521 4.641 4.120 0.001 0.000 0.306 546 V C -0.537 175.640 176.094 0.139 0.000 1.045 546 V CA -0.699 61.667 62.300 0.110 0.000 0.905 546 V CB 1.379 33.267 31.823 0.109 0.000 0.997 546 V HN 0.597 nan 8.190 nan 0.000 0.436 547 Y N 4.001 124.365 120.300 0.107 0.000 2.972 547 Y HA 0.609 5.160 4.550 0.001 0.000 0.211 547 Y C 1.862 177.902 175.900 0.234 0.000 0.969 547 Y CA 1.795 59.989 58.100 0.155 0.000 1.574 547 Y CB 0.136 38.669 38.460 0.121 0.000 1.364 547 Y HN 1.307 nan 8.280 nan 0.000 0.467 548 A N 0.316 123.224 122.820 0.147 0.000 3.080 548 A HA -0.136 4.185 4.320 0.001 0.000 0.254 548 A C 1.017 178.447 177.584 -0.255 0.000 1.277 548 A CA 0.808 52.881 52.037 0.060 0.000 1.065 548 A CB -2.552 16.551 19.000 0.171 0.000 1.160 548 A HN 0.958 nan 8.150 nan 0.000 0.886 549 G N -0.431 107.939 108.800 -0.716 0.000 2.667 549 G HA2 0.471 4.432 3.960 0.001 0.000 0.250 549 G HA3 0.471 4.432 3.960 0.001 0.000 0.250 549 G C -2.041 172.567 174.900 -0.486 0.000 1.212 549 G CA -0.467 43.860 45.100 -1.288 0.000 0.874 549 G HN 0.382 nan 8.290 nan 0.000 0.561 550 P HA 0.114 nan 4.420 nan 0.000 0.267 550 P C 0.464 177.629 177.300 -0.226 0.000 1.209 550 P CA 0.032 62.880 63.100 -0.419 0.000 0.763 550 P CB 0.808 31.904 31.700 -1.006 0.000 0.816 551 C N 2.296 121.552 119.300 -0.073 0.000 4.550 551 C HA -0.133 4.328 4.460 0.001 0.000 0.282 551 C C 0.981 176.050 174.990 0.131 0.000 1.290 551 C CA 1.117 60.089 59.018 -0.077 0.000 1.964 551 C CB -2.618 24.966 27.740 -0.260 0.000 1.284 551 C HN 0.800 nan 8.230 nan 0.000 0.758 552 S N 0.134 115.943 115.700 0.182 0.000 2.652 552 S HA 0.630 5.101 4.470 0.001 0.000 0.270 552 S C -0.647 174.139 174.600 0.310 0.000 1.243 552 S CA 0.055 58.447 58.200 0.320 0.000 0.999 552 S CB 1.745 65.192 63.200 0.412 0.000 0.973 552 S HN 0.848 nan 8.310 nan 0.000 0.544 553 Q N -0.043 119.958 119.800 0.334 0.000 2.263 553 Q HA 0.391 4.731 4.340 0.001 0.000 0.262 553 Q C -0.874 175.249 176.000 0.205 0.000 0.984 553 Q CA -0.656 55.324 55.803 0.296 0.000 0.813 553 Q CB 1.212 30.181 28.738 0.384 0.000 1.299 553 Q HN 0.690 nan 8.270 nan 0.000 0.428 554 K N 1.279 121.794 120.400 0.191 0.000 2.402 554 K HA 0.354 4.674 4.320 0.001 0.000 0.203 554 K C -0.600 176.094 176.600 0.156 0.000 1.077 554 K CA 0.287 56.673 56.287 0.165 0.000 1.051 554 K CB 1.683 34.308 32.500 0.209 0.000 0.907 554 K HN 0.542 nan 8.250 nan 0.000 0.554 555 A N 2.676 125.598 122.820 0.170 0.000 2.267 555 A HA 0.478 4.798 4.320 0.001 0.000 0.315 555 A C -0.781 176.862 177.584 0.098 0.000 1.297 555 A CA -0.444 51.694 52.037 0.169 0.000 0.865 555 A CB 0.256 19.415 19.000 0.265 0.000 1.165 555 A HN 0.250 nan 8.150 nan 0.000 0.513 556 D N -0.089 120.340 120.400 0.047 0.000 2.759 556 D HA 0.372 5.012 4.640 0.001 0.000 0.321 556 D C 0.398 176.689 176.300 -0.016 0.000 1.267 556 D CA 0.300 54.308 54.000 0.013 0.000 0.933 556 D CB 0.139 40.922 40.800 -0.029 0.000 1.431 556 D HN 0.184 nan 8.370 nan 0.000 0.504 557 T N -2.405 112.151 114.554 0.004 0.000 3.122 557 T HA 0.258 4.608 4.350 0.001 0.000 0.250 557 T C 0.911 175.560 174.700 -0.085 0.000 1.067 557 T CA 0.102 62.207 62.100 0.009 0.000 0.966 557 T CB -0.624 68.301 68.868 0.094 0.000 1.002 557 T HN 0.574 nan 8.240 nan 0.000 0.542 558 V N 1.125 120.873 119.914 -0.278 0.000 2.811 558 V HA 0.554 4.675 4.120 0.001 0.000 0.302 558 V C -0.238 175.800 176.094 -0.093 0.000 1.063 558 V CA -1.184 60.951 62.300 -0.275 0.000 1.088 558 V CB 0.420 31.939 31.823 -0.507 0.000 0.982 558 V HN 0.395 nan 8.190 nan 0.000 0.485 559 F N 7.019 126.875 119.950 -0.156 0.000 2.411 559 F HA 0.712 5.239 4.527 0.001 0.000 0.350 559 F C 0.322 176.067 175.800 -0.092 0.000 1.114 559 F CA -0.437 57.495 58.000 -0.113 0.000 1.135 559 F CB 0.614 39.555 39.000 -0.098 0.000 1.120 559 F HN 0.614 nan 8.300 nan 0.000 0.495 560 R N 6.622 126.640 120.500 -0.802 0.000 2.628 560 R HA 0.536 4.877 4.340 0.001 0.000 0.288 560 R C -1.674 174.213 176.300 -0.688 0.000 0.980 560 R CA -1.040 54.743 56.100 -0.527 0.000 0.891 560 R CB 2.218 32.357 30.300 -0.268 0.000 1.188 560 R HN 0.680 nan 8.270 nan 0.000 0.450 561 L N 3.991 124.981 121.223 -0.388 0.000 2.276 561 L HA 0.456 4.796 4.340 0.001 0.000 0.286 561 L C -0.072 176.787 176.870 -0.018 0.000 1.024 561 L CA -0.229 54.454 54.840 -0.261 0.000 0.826 561 L CB 0.681 42.692 42.059 -0.080 0.000 1.211 561 L HN 0.835 nan 8.230 nan 0.000 0.422 562 N N -0.009 118.605 118.700 -0.143 0.000 3.439 562 N HA 0.162 4.902 4.740 0.001 0.000 0.313 562 N C -0.029 175.159 175.510 -0.538 0.000 1.598 562 N CA -0.931 51.918 53.050 -0.334 0.000 0.830 562 N CB 0.625 39.038 38.487 -0.124 0.000 1.849 562 N HN 0.355 nan 8.380 nan 0.000 0.598 563 W N 0.679 121.465 121.300 -0.857 0.000 2.436 563 W HA 0.258 4.919 4.660 0.001 0.000 0.284 563 W C 2.246 178.730 176.519 -0.058 0.000 1.225 563 W CA 1.991 59.033 57.345 -0.505 0.000 1.271 563 W CB -0.715 28.534 29.460 -0.351 0.000 1.114 563 W HN 0.715 nan 8.180 nan 0.000 0.559 564 A N -0.080 122.698 122.820 -0.071 0.000 1.948 564 A HA -0.250 4.070 4.320 0.001 0.000 0.220 564 A C 1.951 179.428 177.584 -0.178 0.000 1.177 564 A CA 2.694 54.634 52.037 -0.162 0.000 0.636 564 A CB -1.324 17.668 19.000 -0.014 0.000 0.815 564 A HN 0.305 nan 8.150 nan 0.000 0.449 565 T N -1.212 113.257 114.554 -0.142 0.000 2.652 565 T HA -0.221 4.130 4.350 0.001 0.000 0.267 565 T C 1.829 176.559 174.700 0.050 0.000 1.039 565 T CA 1.816 63.819 62.100 -0.163 0.000 1.153 565 T CB -0.549 68.081 68.868 -0.397 0.000 0.863 565 T HN 0.704 nan 8.240 nan 0.000 0.428 566 Y N 2.110 122.506 120.300 0.159 0.000 2.181 566 Y HA -0.050 4.501 4.550 0.001 0.000 0.288 566 Y C 1.963 177.849 175.900 -0.023 0.000 1.146 566 Y CA 0.988 59.195 58.100 0.178 0.000 1.164 566 Y CB -0.809 37.739 38.460 0.147 0.000 0.982 566 Y HN 0.130 nan 8.280 nan 0.000 0.515 567 L N 0.271 121.034 121.223 -0.766 0.000 2.079 567 L HA -0.203 4.138 4.340 0.001 0.000 0.210 567 L C 2.814 179.425 176.870 -0.432 0.000 1.081 567 L CA 1.230 55.545 54.840 -0.875 0.000 0.752 567 L CB -0.932 40.658 42.059 -0.781 0.000 0.896 567 L HN 0.433 nan 8.230 nan 0.000 0.433 568 A N -1.161 121.493 122.820 -0.276 0.000 1.855 568 A HA -0.169 4.152 4.320 0.001 0.000 0.213 568 A C 2.519 180.046 177.584 -0.095 0.000 1.195 568 A CA 1.671 53.608 52.037 -0.168 0.000 0.610 568 A CB -0.637 18.259 19.000 -0.172 0.000 0.837 568 A HN 0.311 nan 8.150 nan 0.000 0.444 569 S N -1.253 114.414 115.700 -0.055 0.000 2.368 569 S HA -0.103 4.368 4.470 0.001 0.000 0.224 569 S C 1.937 176.576 174.600 0.066 0.000 1.029 569 S CA 2.222 60.443 58.200 0.036 0.000 0.988 569 S CB -0.342 62.930 63.200 0.121 0.000 0.838 569 S HN 0.570 nan 8.310 nan 0.000 0.462 570 T N 0.923 115.496 114.554 0.031 0.000 3.021 570 T HA 0.206 4.557 4.350 0.001 0.000 0.245 570 T C 1.480 176.176 174.700 -0.006 0.000 1.028 570 T CA 0.452 62.593 62.100 0.068 0.000 1.139 570 T CB -0.067 68.935 68.868 0.224 0.000 0.884 570 T HN 0.254 nan 8.240 nan 0.000 0.457 571 E N 1.227 121.334 120.200 -0.155 0.000 2.452 571 E HA 0.147 4.498 4.350 0.001 0.000 0.197 571 E C 0.102 176.689 176.600 -0.023 0.000 1.022 571 E CA 0.021 56.351 56.400 -0.117 0.000 0.890 571 E CB 0.010 29.538 29.700 -0.286 0.000 0.918 571 E HN 0.278 nan 8.360 nan 0.000 0.496 572 N N 0.586 119.284 118.700 -0.004 0.000 2.758 572 N HA -0.192 4.548 4.740 0.001 0.000 0.248 572 N C -0.619 174.989 175.510 0.163 0.000 1.076 572 N CA 0.627 53.751 53.050 0.122 0.000 0.696 572 N CB -1.782 36.816 38.487 0.185 0.000 0.979 572 N HN 0.265 nan 8.380 nan 0.000 0.550 573 I N 0.743 121.333 120.570 0.034 0.000 2.437 573 I HA 0.334 4.504 4.170 0.001 0.000 0.298 573 I C 1.042 177.145 176.117 -0.023 0.000 0.984 573 I CA -0.775 60.556 61.300 0.052 0.000 1.214 573 I CB 1.222 39.254 38.000 0.053 0.000 1.365 573 I HN -0.054 nan 8.210 nan 0.000 0.469 574 I N 6.091 126.660 120.570 -0.002 0.000 2.396 574 I HA 0.130 4.301 4.170 0.001 0.000 0.289 574 I C -0.334 175.760 176.117 -0.038 0.000 1.056 574 I CA -0.371 60.873 61.300 -0.093 0.000 1.365 574 I CB 0.915 38.862 38.000 -0.088 0.000 1.407 574 I HN 0.207 nan 8.210 nan 0.000 0.509 575 V N 6.594 126.466 119.914 -0.071 0.000 2.370 575 V HA 0.666 4.787 4.120 0.001 0.000 0.279 575 V C 0.374 176.471 176.094 0.005 0.000 1.029 575 V CA -0.466 61.837 62.300 0.006 0.000 0.870 575 V CB 1.052 32.883 31.823 0.014 0.000 0.984 575 V HN 0.829 nan 8.190 nan 0.000 0.451 576 A N 3.960 126.812 122.820 0.054 0.000 2.380 576 A HA 0.942 5.263 4.320 0.001 0.000 0.315 576 A C -0.248 177.461 177.584 0.208 0.000 1.101 576 A CA -0.535 51.513 52.037 0.018 0.000 0.771 576 A CB 1.791 20.624 19.000 -0.279 0.000 1.287 576 A HN 0.729 nan 8.150 nan 0.000 0.436 577 S N -0.006 115.863 115.700 0.281 0.000 2.549 577 S HA 0.767 5.237 4.470 0.001 0.000 0.280 577 S C -1.430 173.507 174.600 0.561 0.000 1.109 577 S CA -0.341 58.084 58.200 0.376 0.000 0.905 577 S CB 1.399 64.764 63.200 0.275 0.000 1.081 577 S HN 0.803 nan 8.310 nan 0.000 0.477 578 F N 1.813 122.004 119.950 0.401 0.000 2.556 578 F HA 0.500 5.028 4.527 0.001 0.000 0.314 578 F C -1.571 174.449 175.800 0.366 0.000 1.106 578 F CA -0.953 57.318 58.000 0.452 0.000 0.911 578 F CB 1.526 40.776 39.000 0.416 0.000 1.190 578 F HN 0.404 nan 8.300 nan 0.000 0.448 579 D N 4.547 124.650 120.400 -0.495 0.000 2.454 579 D HA 0.378 5.018 4.640 0.001 0.000 0.225 579 D C 0.399 176.339 176.300 -0.601 0.000 1.081 579 D CA 0.087 53.896 54.000 -0.319 0.000 0.864 579 D CB 1.497 42.325 40.800 0.046 0.000 1.040 579 D HN 0.768 nan 8.370 nan 0.000 0.517 580 G N 1.271 109.812 108.800 -0.432 0.000 2.574 580 G HA2 0.270 4.230 3.960 0.001 0.000 0.248 580 G HA3 0.270 4.230 3.960 0.001 0.000 0.248 580 G C 0.157 175.073 174.900 0.027 0.000 1.422 580 G CA -0.719 44.255 45.100 -0.210 0.000 1.051 580 G HN 0.293 nan 8.290 nan 0.000 0.560 581 R N -0.634 119.856 120.500 -0.016 0.000 2.570 581 R HA 0.367 4.708 4.340 0.001 0.000 0.277 581 R C 1.218 177.603 176.300 0.141 0.000 1.039 581 R CA 1.431 57.601 56.100 0.116 0.000 1.065 581 R CB 0.487 30.833 30.300 0.077 0.000 0.964 581 R HN 1.038 nan 8.270 nan 0.000 0.428 582 G N 1.326 110.210 108.800 0.140 0.000 2.234 582 G HA2 -0.328 3.633 3.960 0.001 0.000 0.235 582 G HA3 -0.328 3.633 3.960 0.001 0.000 0.235 582 G C 0.177 175.118 174.900 0.069 0.000 0.997 582 G CA 0.176 45.345 45.100 0.115 0.000 0.623 582 G HN 0.732 nan 8.290 nan 0.000 0.514 583 S N 0.412 116.163 115.700 0.084 0.000 2.584 583 S HA 0.634 5.105 4.470 0.001 0.000 0.270 583 S C 0.883 175.497 174.600 0.024 0.000 1.346 583 S CA 0.650 58.898 58.200 0.081 0.000 1.018 583 S CB 1.653 64.925 63.200 0.119 0.000 0.899 583 S HN 1.703 nan 8.310 nan 0.000 0.542 584 G N -0.438 108.350 108.800 -0.019 0.000 2.511 584 G HA2 0.516 4.476 3.960 0.001 0.000 0.316 584 G HA3 0.516 4.476 3.960 0.001 0.000 0.316 584 G C -0.952 173.841 174.900 -0.179 0.000 1.210 584 G CA -0.921 43.995 45.100 -0.307 0.000 0.969 584 G HN 1.038 nan 8.290 nan 0.000 0.492 585 Y N -2.523 117.805 120.300 0.046 0.000 4.912 585 Y HA -0.201 4.349 4.550 0.001 0.000 0.252 585 Y C 1.343 177.278 175.900 0.059 0.000 0.965 585 Y CA 0.915 59.050 58.100 0.058 0.000 1.978 585 Y CB -2.058 36.449 38.460 0.079 0.000 1.477 585 Y HN 0.550 nan 8.280 nan 0.000 0.606 586 Q N 0.044 119.892 119.800 0.080 0.000 2.086 586 Q HA 0.518 4.858 4.340 0.001 0.000 0.220 586 Q C 0.805 176.766 176.000 -0.065 0.000 0.792 586 Q CA 0.209 56.073 55.803 0.102 0.000 1.062 586 Q CB 1.802 30.588 28.738 0.081 0.000 1.198 586 Q HN 0.574 nan 8.270 nan 0.000 0.466 587 G N 0.773 109.412 108.800 -0.269 0.000 2.675 587 G HA2 -0.172 3.789 3.960 0.001 0.000 0.686 587 G HA3 -0.172 3.789 3.960 0.001 0.000 0.686 587 G C -0.513 174.061 174.900 -0.544 0.000 1.215 587 G CA -0.609 44.068 45.100 -0.705 0.000 0.777 587 G HN 0.089 nan 8.290 nan 0.000 0.638 588 D N 0.048 120.067 120.400 -0.635 0.000 2.178 588 D HA -0.061 4.580 4.640 0.001 0.000 0.202 588 D C 2.256 178.289 176.300 -0.446 0.000 0.974 588 D CA 1.413 54.993 54.000 -0.700 0.000 0.841 588 D CB 0.019 40.384 40.800 -0.724 0.000 0.953 588 D HN 0.635 nan 8.370 nan 0.000 0.478 589 K N 0.398 120.591 120.400 -0.344 0.000 2.103 589 K HA -0.114 4.206 4.320 0.001 0.000 0.207 589 K C 1.976 178.510 176.600 -0.109 0.000 1.048 589 K CA 0.972 57.147 56.287 -0.186 0.000 0.930 589 K CB -0.068 32.340 32.500 -0.152 0.000 0.716 589 K HN 0.116 nan 8.250 nan 0.000 0.444 590 I N 0.104 120.605 120.570 -0.116 0.000 2.339 590 I HA -0.173 3.998 4.170 0.001 0.000 0.245 590 I C 2.552 178.669 176.117 0.000 0.000 1.096 590 I CA 0.723 62.023 61.300 0.001 0.000 1.408 590 I CB -0.090 37.935 38.000 0.040 0.000 1.092 590 I HN 0.291 nan 8.210 nan 0.000 0.423 591 M N 0.141 119.670 119.600 -0.118 0.000 2.117 591 M HA -0.261 4.219 4.480 0.001 0.000 0.262 591 M C 1.782 178.127 176.300 0.075 0.000 1.065 591 M CA 2.075 57.327 55.300 -0.079 0.000 1.114 591 M CB -0.306 32.137 32.600 -0.262 0.000 1.361 591 M HN 0.277 nan 8.290 nan 0.000 0.408 592 H N -0.968 118.009 119.070 -0.155 0.000 2.539 592 H HA 0.234 4.791 4.556 0.001 0.000 0.269 592 H C 1.739 177.079 175.328 0.020 0.000 0.980 592 H CA 0.092 56.042 56.048 -0.164 0.000 1.152 592 H CB 0.220 29.783 29.762 -0.332 0.000 1.407 592 H HN 0.521 nan 8.280 nan 0.000 0.564 593 A N 0.833 123.752 122.820 0.166 0.000 2.125 593 A HA -0.127 4.193 4.320 0.001 0.000 0.219 593 A C 1.822 179.616 177.584 0.351 0.000 1.156 593 A CA 1.147 53.298 52.037 0.191 0.000 0.671 593 A CB -0.230 18.841 19.000 0.118 0.000 0.794 593 A HN 0.298 nan 8.150 nan 0.000 0.459 594 I N -0.538 120.210 120.570 0.297 0.000 3.956 594 I HA 0.106 4.277 4.170 0.001 0.000 0.333 594 I C 0.511 176.723 176.117 0.159 0.000 1.302 594 I CA -0.369 61.071 61.300 0.233 0.000 1.122 594 I CB -0.362 37.753 38.000 0.192 0.000 1.013 594 I HN 0.258 nan 8.210 nan 0.000 0.405 595 N N 1.594 120.424 118.700 0.216 0.000 2.412 595 N HA -0.054 4.686 4.740 0.001 0.000 0.254 595 N C 0.600 176.130 175.510 0.032 0.000 1.232 595 N CA 0.590 53.758 53.050 0.196 0.000 0.880 595 N CB 0.215 38.784 38.487 0.136 0.000 1.076 595 N HN 0.133 nan 8.380 nan 0.000 0.458 596 R N 0.246 120.739 120.500 -0.012 0.000 4.000 596 R HA -0.212 4.129 4.340 0.001 0.000 0.348 596 R C -0.407 175.735 176.300 -0.264 0.000 1.204 596 R CA 0.848 56.893 56.100 -0.092 0.000 0.987 596 R CB -0.885 29.391 30.300 -0.041 0.000 1.446 596 R HN 0.550 nan 8.270 nan 0.000 0.555 597 R N 0.316 120.626 120.500 -0.317 0.000 2.635 597 R HA 0.270 4.611 4.340 0.001 0.000 0.393 597 R C -0.213 175.942 176.300 -0.242 0.000 1.070 597 R CA -0.251 55.464 56.100 -0.642 0.000 1.118 597 R CB 0.235 30.237 30.300 -0.497 0.000 1.341 597 R HN 0.109 nan 8.270 nan 0.000 0.628 598 L N -0.054 121.143 121.223 -0.043 0.000 2.506 598 L HA 0.137 4.478 4.340 0.001 0.000 0.281 598 L C 1.404 178.518 176.870 0.406 0.000 1.228 598 L CA 1.187 56.091 54.840 0.106 0.000 0.850 598 L CB 0.266 42.193 42.059 -0.221 0.000 1.110 598 L HN 0.662 nan 8.230 nan 0.000 0.496 599 G N 0.894 109.946 108.800 0.419 0.000 2.157 599 G HA2 -0.290 3.670 3.960 0.001 0.000 0.248 599 G HA3 -0.290 3.670 3.960 0.001 0.000 0.248 599 G C 0.478 175.457 174.900 0.132 0.000 0.979 599 G CA 0.553 45.856 45.100 0.339 0.000 0.650 599 G HN 0.817 nan 8.290 nan 0.000 0.529 600 T N -2.954 111.629 114.554 0.048 0.000 3.330 600 T HA 0.465 4.815 4.350 0.001 0.000 0.185 600 T C 1.684 176.352 174.700 -0.053 0.000 0.874 600 T CA 0.964 62.993 62.100 -0.119 0.000 1.268 600 T CB -0.139 68.456 68.868 -0.456 0.000 1.866 600 T HN 0.125 nan 8.240 nan 0.000 0.395 601 F N 3.340 123.330 119.950 0.067 0.000 2.216 601 F HA 0.116 4.644 4.527 0.001 0.000 0.300 601 F C 2.740 178.572 175.800 0.053 0.000 1.085 601 F CA 0.979 59.006 58.000 0.045 0.000 1.326 601 F CB -0.672 38.349 39.000 0.034 0.000 1.027 601 F HN 0.492 nan 8.300 nan 0.000 0.497 602 E N 0.682 121.030 120.200 0.247 0.000 2.274 602 E HA -0.093 4.257 4.350 0.001 0.000 0.194 602 E C 1.915 178.617 176.600 0.171 0.000 0.996 602 E CA 1.140 57.662 56.400 0.203 0.000 0.840 602 E CB -0.721 29.099 29.700 0.199 0.000 0.772 602 E HN 0.306 nan 8.360 nan 0.000 0.491 603 V N 1.386 121.376 119.914 0.127 0.000 2.426 603 V HA -0.125 3.995 4.120 0.001 0.000 0.242 603 V C 2.235 178.371 176.094 0.070 0.000 1.036 603 V CA 1.614 63.951 62.300 0.061 0.000 1.044 603 V CB -0.444 31.367 31.823 -0.021 0.000 0.688 603 V HN 0.162 nan 8.190 nan 0.000 0.462 604 E N 0.479 120.733 120.200 0.090 0.000 2.085 604 E HA -0.259 4.092 4.350 0.001 0.000 0.194 604 E C 1.882 178.521 176.600 0.065 0.000 0.994 604 E CA 1.649 58.100 56.400 0.084 0.000 0.801 604 E CB -0.207 29.570 29.700 0.127 0.000 0.743 604 E HN 0.555 nan 8.360 nan 0.000 0.453 605 D N 0.340 120.796 120.400 0.093 0.000 2.178 605 D HA -0.139 4.502 4.640 0.001 0.000 0.201 605 D C 2.019 178.355 176.300 0.060 0.000 0.980 605 D CA 0.767 54.808 54.000 0.069 0.000 0.842 605 D CB -0.122 40.770 40.800 0.154 0.000 0.948 605 D HN 0.111 nan 8.370 nan 0.000 0.472 606 Q N 0.268 120.159 119.800 0.151 0.000 2.050 606 Q HA -0.060 4.281 4.340 0.001 0.000 0.202 606 Q C 2.599 178.660 176.000 0.102 0.000 0.980 606 Q CA 0.621 56.515 55.803 0.152 0.000 0.840 606 Q CB -0.322 28.527 28.738 0.185 0.000 0.898 606 Q HN 0.431 nan 8.270 nan 0.000 0.424 607 I N 0.749 121.396 120.570 0.127 0.000 2.264 607 I HA -0.263 3.908 4.170 0.001 0.000 0.248 607 I C 2.332 178.420 176.117 -0.049 0.000 1.111 607 I CA 1.270 62.671 61.300 0.167 0.000 1.382 607 I CB -0.222 37.861 38.000 0.139 0.000 1.060 607 I HN 0.176 nan 8.210 nan 0.000 0.418 608 E N 1.409 121.532 120.200 -0.129 0.000 2.152 608 E HA -0.128 4.223 4.350 0.001 0.000 0.192 608 E C 2.100 178.432 176.600 -0.446 0.000 0.983 608 E CA 1.381 57.643 56.400 -0.230 0.000 0.818 608 E CB -0.086 29.506 29.700 -0.180 0.000 0.758 608 E HN 0.397 nan 8.360 nan 0.000 0.467 609 A N 0.849 123.263 122.820 -0.676 0.000 1.898 609 A HA -0.019 4.302 4.320 0.001 0.000 0.216 609 A C 2.441 179.294 177.584 -1.219 0.000 1.181 609 A CA 1.929 53.243 52.037 -1.205 0.000 0.620 609 A CB -1.027 17.043 19.000 -1.550 0.000 0.819 609 A HN 0.373 nan 8.150 nan 0.000 0.442 610 A N -0.157 122.318 122.820 -0.574 0.000 1.883 610 A HA -0.199 4.122 4.320 0.001 0.000 0.217 610 A C 2.235 179.615 177.584 -0.339 0.000 1.186 610 A CA 1.613 53.466 52.037 -0.306 0.000 0.624 610 A CB -0.555 18.331 19.000 -0.190 0.000 0.822 610 A HN 0.525 nan 8.150 nan 0.000 0.444 611 R N -0.801 119.500 120.500 -0.332 0.000 2.117 611 R HA -0.180 4.161 4.340 0.001 0.000 0.243 611 R C 2.419 178.559 176.300 -0.266 0.000 1.143 611 R CA 1.770 57.712 56.100 -0.264 0.000 0.968 611 R CB -0.269 29.901 30.300 -0.216 0.000 0.863 611 R HN 0.690 nan 8.270 nan 0.000 0.444 612 Q N -0.863 118.709 119.800 -0.379 0.000 2.187 612 Q HA -0.062 4.278 4.340 0.001 0.000 0.199 612 Q C 1.765 177.611 176.000 -0.258 0.000 0.957 612 Q CA 0.856 56.460 55.803 -0.331 0.000 0.857 612 Q CB 0.113 28.631 28.738 -0.367 0.000 0.929 612 Q HN 0.245 nan 8.270 nan 0.000 0.453 613 F N 0.665 120.474 119.950 -0.236 0.000 2.171 613 F HA -0.178 4.350 4.527 0.001 0.000 0.300 613 F C 2.667 178.316 175.800 -0.251 0.000 1.090 613 F CA 1.347 59.206 58.000 -0.235 0.000 1.293 613 F CB -1.132 37.764 39.000 -0.174 0.000 1.013 613 F HN 0.066 nan 8.300 nan 0.000 0.486 614 S N -0.648 115.004 115.700 -0.081 0.000 2.515 614 S HA -0.067 4.404 4.470 0.001 0.000 0.231 614 S C 1.820 176.327 174.600 -0.155 0.000 0.987 614 S CA 0.470 58.595 58.200 -0.126 0.000 0.936 614 S CB -0.147 62.970 63.200 -0.139 0.000 0.766 614 S HN 0.207 nan 8.310 nan 0.000 0.528 615 K N 0.898 121.202 120.400 -0.160 0.000 2.141 615 K HA 0.302 4.622 4.320 0.001 0.000 0.202 615 K C 0.818 177.312 176.600 -0.177 0.000 1.045 615 K CA 0.225 56.425 56.287 -0.144 0.000 0.971 615 K CB -0.603 31.826 32.500 -0.119 0.000 0.795 615 K HN 0.476 nan 8.250 nan 0.000 0.459 616 M N 0.801 120.268 119.600 -0.222 0.000 2.226 616 M HA -0.068 4.413 4.480 0.001 0.000 0.352 616 M C 1.234 177.207 176.300 -0.545 0.000 1.226 616 M CA 0.698 55.773 55.300 -0.374 0.000 0.943 616 M CB 0.134 32.444 32.600 -0.483 0.000 1.805 616 M HN 0.199 nan 8.290 nan 0.000 0.465 617 G N 2.332 110.866 108.800 -0.443 0.000 3.284 617 G HA2 0.261 4.222 3.960 0.001 0.000 0.236 617 G HA3 0.261 4.222 3.960 0.001 0.000 0.236 617 G C 0.359 175.180 174.900 -0.130 0.000 1.158 617 G CA -0.320 44.647 45.100 -0.222 0.000 0.774 617 G HN 0.810 nan 8.290 nan 0.000 0.545 618 F N -0.724 119.284 119.950 0.097 0.000 2.639 618 F HA 0.585 5.112 4.527 0.001 0.000 0.302 618 F C -0.248 175.687 175.800 0.225 0.000 1.097 618 F CA -1.572 56.529 58.000 0.168 0.000 1.294 618 F CB -0.189 38.952 39.000 0.236 0.000 1.027 618 F HN -0.182 nan 8.300 nan 0.000 0.550 619 V N 1.396 121.291 119.914 -0.031 0.000 2.459 619 V HA 0.229 4.349 4.120 0.001 0.000 0.295 619 V C -0.668 175.415 176.094 -0.018 0.000 1.029 619 V CA -0.792 61.533 62.300 0.042 0.000 0.874 619 V CB 1.619 33.413 31.823 -0.048 0.000 0.985 619 V HN 0.070 nan 8.190 nan 0.000 0.438 620 D N 3.408 123.796 120.400 -0.021 0.000 2.352 620 D HA 0.071 4.712 4.640 0.001 0.000 0.245 620 D C 1.300 177.543 176.300 -0.094 0.000 1.224 620 D CA -0.053 53.901 54.000 -0.077 0.000 0.879 620 D CB 0.518 41.247 40.800 -0.118 0.000 1.057 620 D HN 0.734 nan 8.370 nan 0.000 0.491 621 N N 2.698 121.346 118.700 -0.086 0.000 2.515 621 N HA -0.098 4.643 4.740 0.001 0.000 0.185 621 N C 0.447 175.911 175.510 -0.078 0.000 1.109 621 N CA 0.117 53.113 53.050 -0.090 0.000 0.903 621 N CB 0.209 38.639 38.487 -0.096 0.000 0.969 621 N HN 0.269 nan 8.380 nan 0.000 0.450 622 K N 0.379 120.737 120.400 -0.070 0.000 2.404 622 K HA 0.169 4.490 4.320 0.001 0.000 0.194 622 K C 0.161 176.740 176.600 -0.034 0.000 1.023 622 K CA 0.094 56.356 56.287 -0.042 0.000 1.094 622 K CB 0.444 32.923 32.500 -0.036 0.000 0.841 622 K HN 0.158 nan 8.250 nan 0.000 0.523 623 R N 1.496 121.935 120.500 -0.102 0.000 2.644 623 R HA 0.356 4.696 4.340 0.001 0.000 0.271 623 R C -1.003 175.194 176.300 -0.173 0.000 1.687 623 R CA -0.135 55.840 56.100 -0.208 0.000 1.655 623 R CB 0.683 30.612 30.300 -0.619 0.000 1.285 623 R HN 0.016 nan 8.270 nan 0.000 0.643 624 I N 1.286 121.939 120.570 0.138 0.000 2.389 624 I HA 0.567 4.738 4.170 0.001 0.000 0.288 624 I C 0.064 176.499 176.117 0.530 0.000 0.999 624 I CA -0.761 60.695 61.300 0.261 0.000 1.129 624 I CB 1.839 39.841 38.000 0.003 0.000 1.288 624 I HN 0.324 nan 8.210 nan 0.000 0.444 625 A N 7.172 130.396 122.820 0.673 0.000 2.387 625 A HA 0.915 5.235 4.320 0.001 0.000 0.303 625 A C -1.097 176.817 177.584 0.550 0.000 1.145 625 A CA -0.657 51.708 52.037 0.546 0.000 0.801 625 A CB 2.202 21.350 19.000 0.248 0.000 1.342 625 A HN 0.738 nan 8.150 nan 0.000 0.440 626 I N 0.515 121.335 120.570 0.417 0.000 2.722 626 I HA 0.720 4.890 4.170 0.001 0.000 0.295 626 I C -1.841 174.533 176.117 0.427 0.000 1.161 626 I CA -0.581 60.910 61.300 0.318 0.000 1.032 626 I CB 1.645 39.596 38.000 -0.083 0.000 1.244 626 I HN 0.923 nan 8.210 nan 0.000 0.421 627 W N 7.108 128.532 121.300 0.206 0.000 3.137 627 W HA 0.836 5.496 4.660 0.001 0.000 0.324 627 W C -1.317 175.344 176.519 0.237 0.000 1.253 627 W CA -0.760 56.713 57.345 0.215 0.000 1.183 627 W CB 0.967 30.602 29.460 0.292 0.000 1.424 627 W HN 0.849 nan 8.180 nan 0.000 0.566 628 G N 0.560 109.268 108.800 -0.155 0.000 2.441 628 G HA2 0.459 4.419 3.960 0.001 0.000 0.294 628 G HA3 0.459 4.419 3.960 0.001 0.000 0.294 628 G C -2.882 171.953 174.900 -0.108 0.000 1.393 628 G CA -0.772 44.024 45.100 -0.506 0.000 0.796 628 G HN 0.621 nan 8.290 nan 0.000 0.494 629 W N 0.549 121.728 121.300 -0.202 0.000 2.839 629 W HA 0.598 5.258 4.660 0.001 0.000 0.334 629 W C 0.734 177.303 176.519 0.083 0.000 1.064 629 W CA 0.332 57.649 57.345 -0.048 0.000 1.236 629 W CB 1.781 31.210 29.460 -0.052 0.000 1.405 629 W HN 1.469 nan 8.180 nan 0.000 0.478 630 S N 3.112 119.045 115.700 0.388 0.000 4.151 630 S HA -0.416 4.055 4.470 0.001 0.000 0.622 630 S C 1.021 175.764 174.600 0.238 0.000 1.877 630 S CA 1.719 60.181 58.200 0.438 0.000 4.244 630 S CB -1.872 61.716 63.200 0.648 0.000 0.203 630 S HN 0.726 nan 8.310 nan 0.000 0.468 631 Y N 2.499 122.859 120.300 0.101 0.000 2.242 631 Y HA 0.173 4.724 4.550 0.001 0.000 0.291 631 Y C 2.437 178.280 175.900 -0.094 0.000 1.137 631 Y CA 2.510 60.554 58.100 -0.094 0.000 1.181 631 Y CB -1.009 37.177 38.460 -0.458 0.000 0.989 631 Y HN 0.539 nan 8.280 nan 0.000 0.527 632 G N -0.846 107.989 108.800 0.060 0.000 2.470 632 G HA2 -0.223 3.738 3.960 0.001 0.000 0.220 632 G HA3 -0.223 3.738 3.960 0.001 0.000 0.220 632 G C 1.845 176.773 174.900 0.048 0.000 1.121 632 G CA 0.764 45.912 45.100 0.080 0.000 0.766 632 G HN 0.579 nan 8.290 nan 0.000 0.553 633 G N -0.238 108.600 108.800 0.064 0.000 2.403 633 G HA2 -0.177 3.784 3.960 0.001 0.000 0.216 633 G HA3 -0.177 3.784 3.960 0.001 0.000 0.216 633 G C 1.545 176.470 174.900 0.042 0.000 1.154 633 G CA 0.952 46.077 45.100 0.043 0.000 0.784 633 G HN 0.409 nan 8.290 nan 0.000 0.538 634 Y N 1.454 121.664 120.300 -0.150 0.000 2.097 634 Y HA -0.152 4.398 4.550 0.001 0.000 0.282 634 Y C 2.747 178.558 175.900 -0.148 0.000 1.152 634 Y CA 1.781 59.742 58.100 -0.232 0.000 1.136 634 Y CB -0.490 37.686 38.460 -0.474 0.000 0.975 634 Y HN 0.025 nan 8.280 nan 0.000 0.498 635 V N -0.300 119.501 119.914 -0.188 0.000 2.343 635 V HA -0.311 3.810 4.120 0.001 0.000 0.247 635 V C 2.331 178.316 176.094 -0.182 0.000 1.051 635 V CA 2.365 64.541 62.300 -0.206 0.000 1.036 635 V CB -1.168 30.667 31.823 0.020 0.000 0.654 635 V HN 0.501 nan 8.190 nan 0.000 0.451 636 T N -0.045 114.454 114.554 -0.092 0.000 2.665 636 T HA -0.224 4.127 4.350 0.001 0.000 0.268 636 T C 2.123 176.770 174.700 -0.088 0.000 1.035 636 T CA 2.183 64.244 62.100 -0.066 0.000 1.151 636 T CB -0.270 68.630 68.868 0.054 0.000 0.862 636 T HN 0.519 nan 8.240 nan 0.000 0.438 637 S N 0.719 116.397 115.700 -0.038 0.000 2.387 637 S HA 0.043 4.513 4.470 0.001 0.000 0.226 637 S C 2.139 176.636 174.600 -0.171 0.000 1.026 637 S CA 0.765 58.960 58.200 -0.010 0.000 0.972 637 S CB -0.228 63.037 63.200 0.108 0.000 0.814 637 S HN 0.328 nan 8.310 nan 0.000 0.477 638 M N 1.008 120.427 119.600 -0.301 0.000 2.159 638 M HA -0.042 4.438 4.480 0.001 0.000 0.263 638 M C 2.177 178.307 176.300 -0.284 0.000 1.063 638 M CA 1.113 56.216 55.300 -0.329 0.000 1.110 638 M CB -1.374 30.933 32.600 -0.489 0.000 1.374 638 M HN 0.180 nan 8.290 nan 0.000 0.411 639 V N 0.695 120.434 119.914 -0.292 0.000 2.270 639 V HA -0.245 3.876 4.120 0.001 0.000 0.245 639 V C 2.560 178.439 176.094 -0.358 0.000 1.043 639 V CA 1.417 63.540 62.300 -0.295 0.000 1.014 639 V CB -0.692 30.882 31.823 -0.416 0.000 0.645 639 V HN 0.404 nan 8.190 nan 0.000 0.447 640 L N 0.526 121.469 121.223 -0.467 0.000 2.079 640 L HA -0.111 4.229 4.340 0.001 0.000 0.210 640 L C 2.211 178.565 176.870 -0.860 0.000 1.081 640 L CA 1.691 56.173 54.840 -0.597 0.000 0.752 640 L CB -0.871 40.781 42.059 -0.678 0.000 0.896 640 L HN 0.517 nan 8.230 nan 0.000 0.433 641 G N -1.365 106.855 108.800 -0.966 0.000 3.262 641 G HA2 -0.013 3.947 3.960 0.001 0.000 0.228 641 G HA3 -0.013 3.947 3.960 0.001 0.000 0.228 641 G C 1.384 176.099 174.900 -0.309 0.000 1.197 641 G CA 0.587 45.216 45.100 -0.785 0.000 0.819 641 G HN 0.457 nan 8.290 nan 0.000 0.531 642 S N -1.240 114.308 115.700 -0.253 0.000 2.503 642 S HA 0.342 4.813 4.470 0.001 0.000 0.217 642 S C 1.865 176.417 174.600 -0.079 0.000 0.999 642 S CA 0.995 59.119 58.200 -0.126 0.000 0.914 642 S CB 0.105 63.251 63.200 -0.089 0.000 0.782 642 S HN 1.324 nan 8.310 nan 0.000 0.520 643 G N 1.534 110.279 108.800 -0.090 0.000 2.136 643 G HA2 -0.327 3.634 3.960 0.001 0.000 0.242 643 G HA3 -0.327 3.634 3.960 0.001 0.000 0.242 643 G C 0.922 175.812 174.900 -0.016 0.000 0.989 643 G CA 0.791 45.863 45.100 -0.047 0.000 0.682 643 G HN 1.290 nan 8.290 nan 0.000 0.522 644 S N -0.600 115.104 115.700 0.006 0.000 2.481 644 S HA 0.348 4.819 4.470 0.001 0.000 0.231 644 S C 2.417 177.023 174.600 0.010 0.000 0.996 644 S CA 1.489 59.703 58.200 0.023 0.000 0.942 644 S CB -0.064 63.176 63.200 0.067 0.000 0.768 644 S HN 2.375 nan 8.310 nan 0.000 0.520 645 G N 0.064 108.878 108.800 0.023 0.000 2.162 645 G HA2 -0.267 3.694 3.960 0.001 0.000 0.260 645 G HA3 -0.267 3.694 3.960 0.001 0.000 0.260 645 G C 0.641 175.526 174.900 -0.025 0.000 0.976 645 G CA 0.373 45.476 45.100 0.005 0.000 0.655 645 G HN 0.650 nan 8.290 nan 0.000 0.533 646 V N -0.701 119.179 119.914 -0.056 0.000 2.992 646 V HA 0.385 4.506 4.120 0.001 0.000 0.250 646 V C 0.779 176.646 176.094 -0.378 0.000 1.090 646 V CA 1.066 63.191 62.300 -0.291 0.000 1.101 646 V CB -0.145 31.369 31.823 -0.516 0.000 0.743 646 V HN 0.287 nan 8.190 nan 0.000 0.468 647 F N -0.096 119.873 119.950 0.032 0.000 2.458 647 F HA 0.417 4.945 4.527 0.001 0.000 0.336 647 F C 1.036 176.890 175.800 0.089 0.000 1.114 647 F CA -0.618 57.430 58.000 0.080 0.000 0.987 647 F CB 1.565 40.613 39.000 0.080 0.000 1.130 647 F HN -0.262 nan 8.300 nan 0.000 0.458 648 K N 1.696 122.275 120.400 0.299 0.000 2.167 648 K HA 0.094 4.415 4.320 0.001 0.000 0.203 648 K C -0.047 176.691 176.600 0.230 0.000 1.052 648 K CA 0.973 57.396 56.287 0.226 0.000 0.956 648 K CB 0.242 32.884 32.500 0.236 0.000 0.735 648 K HN 0.809 nan 8.250 nan 0.000 0.451 649 c N -3.109 115.662 118.600 0.286 0.000 3.275 649 c HA 0.846 5.417 4.570 0.001 0.000 0.340 649 c C -0.363 173.944 174.090 0.362 0.000 1.366 649 c CA -0.564 55.950 56.329 0.310 0.000 1.227 649 c CB 1.087 43.730 42.510 0.221 0.000 1.512 649 c HN 0.333 nan 8.230 nan 0.000 0.461 650 G N 0.081 109.155 108.800 0.457 0.000 2.677 650 G HA2 0.750 4.710 3.960 0.001 0.000 0.291 650 G HA3 0.750 4.710 3.960 0.001 0.000 0.291 650 G C -2.006 173.091 174.900 0.328 0.000 1.435 650 G CA -0.745 44.592 45.100 0.394 0.000 0.826 650 G HN 1.062 nan 8.290 nan 0.000 0.491 651 I N 0.747 121.474 120.570 0.261 0.000 2.447 651 I HA 0.593 4.764 4.170 0.001 0.000 0.287 651 I C 0.106 176.309 176.117 0.144 0.000 1.023 651 I CA -0.932 60.404 61.300 0.060 0.000 1.083 651 I CB 2.220 40.266 38.000 0.077 0.000 1.245 651 I HN 0.629 nan 8.210 nan 0.000 0.434 652 A N 6.663 129.455 122.820 -0.048 0.000 2.291 652 A HA 0.766 5.086 4.320 0.001 0.000 0.311 652 A C -0.732 176.750 177.584 -0.170 0.000 1.224 652 A CA -0.497 51.533 52.037 -0.011 0.000 0.821 652 A CB 1.006 20.065 19.000 0.098 0.000 1.172 652 A HN 0.443 nan 8.150 nan 0.000 0.494 653 V N 2.203 121.971 119.914 -0.243 0.000 2.384 653 V HA 0.568 4.689 4.120 0.001 0.000 0.287 653 V C 0.941 176.667 176.094 -0.613 0.000 1.020 653 V CA 0.297 62.237 62.300 -0.600 0.000 0.850 653 V CB 0.811 31.927 31.823 -1.179 0.000 0.987 653 V HN 2.049 nan 8.190 nan 0.000 0.436 654 A N 5.812 128.281 122.820 -0.586 0.000 2.415 654 A HA -0.105 4.215 4.320 0.001 0.000 0.292 654 A C -1.702 175.818 177.584 -0.107 0.000 1.452 654 A CA 0.335 52.012 52.037 -0.601 0.000 0.750 654 A CB -1.532 17.166 19.000 -0.503 0.000 1.099 654 A HN 0.621 nan 8.150 nan 0.000 0.391 655 P HA 0.367 nan 4.420 nan 0.000 0.278 655 P C 0.279 177.577 177.300 -0.003 0.000 1.238 655 P CA -0.098 63.015 63.100 0.021 0.000 0.794 655 P CB 1.206 32.929 31.700 0.039 0.000 0.955 656 V N 2.712 122.520 119.914 -0.178 0.000 2.715 656 V HA 0.032 4.152 4.120 0.001 0.000 0.299 656 V C 1.793 177.708 176.094 -0.297 0.000 1.054 656 V CA 1.154 63.190 62.300 -0.440 0.000 1.077 656 V CB 0.634 31.801 31.823 -1.094 0.000 0.972 656 V HN 0.844 nan 8.190 nan 0.000 0.484 657 S N 3.762 119.297 115.700 -0.276 0.000 2.619 657 S HA 0.293 4.763 4.470 0.001 0.000 0.238 657 S C 0.571 174.991 174.600 -0.301 0.000 1.068 657 S CA -0.360 57.748 58.200 -0.153 0.000 0.926 657 S CB 0.399 63.572 63.200 -0.046 0.000 0.864 657 S HN 0.679 nan 8.310 nan 0.000 0.493 658 R N -0.825 119.350 120.500 -0.542 0.000 2.535 658 R HA 0.324 4.664 4.340 0.001 0.000 0.274 658 R C -1.000 174.928 176.300 -0.620 0.000 1.090 658 R CA -0.647 55.074 56.100 -0.633 0.000 0.930 658 R CB 0.688 30.419 30.300 -0.949 0.000 1.223 658 R HN 0.302 nan 8.270 nan 0.000 0.441 659 W N 1.933 123.121 121.300 -0.187 0.000 2.425 659 W HA -0.058 4.603 4.660 0.001 0.000 0.277 659 W C 1.386 178.029 176.519 0.207 0.000 1.231 659 W CA 0.622 57.952 57.345 -0.026 0.000 1.248 659 W CB 0.353 29.690 29.460 -0.206 0.000 1.117 659 W HN 0.720 nan 8.180 nan 0.000 0.568 660 E N -0.814 119.576 120.200 0.316 0.000 2.333 660 E HA -0.210 4.140 4.350 0.001 0.000 0.198 660 E C 1.402 178.161 176.600 0.266 0.000 1.007 660 E CA 1.041 57.570 56.400 0.216 0.000 0.845 660 E CB -0.408 29.321 29.700 0.049 0.000 0.766 660 E HN 0.354 nan 8.360 nan 0.000 0.507 661 Y N -1.289 119.089 120.300 0.130 0.000 2.516 661 Y HA 0.032 4.582 4.550 0.001 0.000 0.291 661 Y C 0.776 176.762 175.900 0.143 0.000 1.131 661 Y CA -0.269 57.879 58.100 0.081 0.000 1.281 661 Y CB -0.638 37.810 38.460 -0.019 0.000 1.013 661 Y HN 0.044 nan 8.280 nan 0.000 0.554 662 Y N 1.850 122.307 120.300 0.261 0.000 2.392 662 Y HA 0.292 4.842 4.550 0.001 0.000 0.323 662 Y C 0.353 176.459 175.900 0.344 0.000 1.291 662 Y CA -2.191 56.069 58.100 0.266 0.000 1.345 662 Y CB 0.376 39.043 38.460 0.346 0.000 1.320 662 Y HN 0.199 nan 8.280 nan 0.000 0.518 663 D N -0.540 119.524 120.400 -0.560 0.000 2.368 663 D HA 0.100 4.741 4.640 0.001 0.000 0.240 663 D C 0.941 177.218 176.300 -0.040 0.000 1.169 663 D CA 0.381 54.174 54.000 -0.346 0.000 0.906 663 D CB 0.888 41.283 40.800 -0.673 0.000 1.187 663 D HN 0.480 nan 8.370 nan 0.000 0.435 664 S N 0.808 116.495 115.700 -0.020 0.000 2.355 664 S HA -0.194 4.277 4.470 0.001 0.000 0.222 664 S C 1.887 176.517 174.600 0.051 0.000 1.031 664 S CA 1.040 59.280 58.200 0.067 0.000 0.993 664 S CB -0.884 62.354 63.200 0.063 0.000 0.859 664 S HN 0.427 nan 8.310 nan 0.000 0.453 665 V N 0.837 120.728 119.914 -0.038 0.000 2.295 665 V HA -0.155 3.965 4.120 0.001 0.000 0.246 665 V C 2.316 178.352 176.094 -0.095 0.000 1.049 665 V CA 2.208 64.415 62.300 -0.155 0.000 1.024 665 V CB -1.049 30.541 31.823 -0.388 0.000 0.648 665 V HN 0.627 nan 8.190 nan 0.000 0.447 666 Y N 1.181 121.446 120.300 -0.060 0.000 2.184 666 Y HA -0.215 4.335 4.550 0.001 0.000 0.290 666 Y C 2.693 178.631 175.900 0.063 0.000 1.129 666 Y CA 2.292 60.439 58.100 0.077 0.000 1.144 666 Y CB -0.522 38.168 38.460 0.383 0.000 0.995 666 Y HN 0.218 nan 8.280 nan 0.000 0.513 667 T N 0.462 115.223 114.554 0.345 0.000 2.674 667 T HA -0.201 4.149 4.350 0.001 0.000 0.265 667 T C 1.512 176.183 174.700 -0.048 0.000 1.039 667 T CA 1.967 64.190 62.100 0.204 0.000 1.150 667 T CB -0.339 68.812 68.868 0.470 0.000 0.864 667 T HN 0.441 nan 8.240 nan 0.000 0.427 668 E N 0.575 120.786 120.200 0.018 0.000 2.333 668 E HA -0.099 4.251 4.350 0.001 0.000 0.198 668 E C 2.272 178.765 176.600 -0.179 0.000 1.007 668 E CA 0.414 56.812 56.400 -0.003 0.000 0.845 668 E CB -0.107 29.634 29.700 0.069 0.000 0.766 668 E HN 0.326 nan 8.360 nan 0.000 0.507 669 R N 0.318 120.565 120.500 -0.420 0.000 2.083 669 R HA -0.194 4.146 4.340 0.001 0.000 0.237 669 R C 1.373 177.162 176.300 -0.851 0.000 1.137 669 R CA 1.702 57.369 56.100 -0.721 0.000 0.951 669 R CB -0.088 29.478 30.300 -1.224 0.000 0.851 669 R HN 0.239 nan 8.270 nan 0.000 0.434 670 Y N -2.020 117.940 120.300 -0.565 0.000 2.510 670 Y HA 0.205 4.755 4.550 0.001 0.000 0.273 670 Y C 1.672 177.366 175.900 -0.342 0.000 1.119 670 Y CA 0.057 57.812 58.100 -0.574 0.000 1.286 670 Y CB 0.427 38.404 38.460 -0.804 0.000 1.061 670 Y HN 0.005 nan 8.280 nan 0.000 0.542 671 M N -0.688 118.798 119.600 -0.191 0.000 2.292 671 M HA 0.360 4.840 4.480 0.001 0.000 0.286 671 M C 1.206 177.543 176.300 0.063 0.000 1.002 671 M CA 0.721 55.934 55.300 -0.145 0.000 1.029 671 M CB -0.090 32.264 32.600 -0.410 0.000 1.537 671 M HN 0.334 nan 8.290 nan 0.000 0.543 672 G N 2.159 110.993 108.800 0.056 0.000 2.575 672 G HA2 -0.265 3.696 3.960 0.001 0.000 0.267 672 G HA3 -0.265 3.696 3.960 0.001 0.000 0.267 672 G C -0.385 174.646 174.900 0.218 0.000 1.264 672 G CA -0.483 44.684 45.100 0.112 0.000 0.935 672 G HN 0.372 nan 8.290 nan 0.000 0.568 673 L N 1.798 123.110 121.223 0.147 0.000 2.334 673 L HA 0.489 4.830 4.340 0.001 0.000 0.275 673 L C -1.712 175.103 176.870 -0.091 0.000 1.036 673 L CA -1.914 52.948 54.840 0.036 0.000 0.807 673 L CB 2.222 44.281 42.059 0.000 0.000 1.231 673 L HN 0.417 nan 8.230 nan 0.000 0.438 674 P HA 0.102 nan 4.420 nan 0.000 0.214 674 P C -0.631 176.518 177.300 -0.250 0.000 1.826 674 P CA -0.152 62.556 63.100 -0.652 0.000 0.977 674 P CB -0.256 30.782 31.700 -1.103 0.000 1.930 675 T N -2.506 111.980 114.554 -0.114 0.000 2.907 675 T HA 0.495 4.846 4.350 0.001 0.000 0.292 675 T C -2.263 172.429 174.700 -0.013 0.000 1.043 675 T CA -2.548 59.520 62.100 -0.054 0.000 1.003 675 T CB 1.886 70.732 68.868 -0.036 0.000 1.084 675 T HN -0.285 nan 8.240 nan 0.000 0.483 676 P HA -0.073 nan 4.420 nan 0.000 0.217 676 P C 0.994 178.303 177.300 0.015 0.000 1.148 676 P CA 1.090 64.197 63.100 0.011 0.000 0.828 676 P CB 0.066 31.770 31.700 0.006 0.000 0.783 677 E N -1.120 119.085 120.200 0.008 0.000 2.204 677 E HA -0.129 4.222 4.350 0.001 0.000 0.195 677 E C 1.463 178.074 176.600 0.019 0.000 0.990 677 E CA 1.104 57.510 56.400 0.010 0.000 0.821 677 E CB -0.418 29.283 29.700 0.003 0.000 0.750 677 E HN 0.330 nan 8.360 nan 0.000 0.477 678 D N -1.345 119.071 120.400 0.027 0.000 3.066 678 D HA 0.082 4.722 4.640 0.001 0.000 0.225 678 D C 0.239 176.586 176.300 0.079 0.000 1.397 678 D CA 0.086 54.114 54.000 0.046 0.000 1.344 678 D CB -0.009 40.818 40.800 0.044 0.000 0.934 678 D HN -0.056 nan 8.370 nan 0.000 0.202 679 N N 0.322 119.096 118.700 0.124 0.000 2.305 679 N HA 0.172 4.912 4.740 0.001 0.000 0.248 679 N C 1.093 176.783 175.510 0.300 0.000 1.290 679 N CA -0.084 53.091 53.050 0.210 0.000 0.873 679 N CB 0.351 38.997 38.487 0.265 0.000 1.261 679 N HN 0.154 nan 8.380 nan 0.000 0.504 680 L N -0.107 121.215 121.223 0.165 0.000 2.043 680 L HA -0.201 4.139 4.340 0.001 0.000 0.212 680 L C 0.843 177.818 176.870 0.176 0.000 1.075 680 L CA 1.687 56.605 54.840 0.129 0.000 0.752 680 L CB -0.059 42.019 42.059 0.031 0.000 0.891 680 L HN 0.184 nan 8.230 nan 0.000 0.432 681 D N -1.445 119.040 120.400 0.142 0.000 2.149 681 D HA -0.244 4.396 4.640 0.001 0.000 0.198 681 D C 2.059 178.446 176.300 0.145 0.000 0.990 681 D CA 1.130 55.201 54.000 0.119 0.000 0.839 681 D CB -0.229 40.629 40.800 0.097 0.000 0.948 681 D HN 0.429 nan 8.370 nan 0.000 0.460 682 H N -0.942 118.192 119.070 0.106 0.000 2.470 682 H HA -0.086 4.471 4.556 0.001 0.000 0.289 682 H C 1.578 176.964 175.328 0.095 0.000 1.033 682 H CA 0.765 56.854 56.048 0.069 0.000 1.331 682 H CB 0.086 29.855 29.762 0.012 0.000 1.414 682 H HN 0.205 nan 8.280 nan 0.000 0.545 683 Y N 0.878 121.193 120.300 0.025 0.000 2.207 683 Y HA -0.199 4.352 4.550 0.001 0.000 0.287 683 Y C 2.671 178.537 175.900 -0.057 0.000 1.156 683 Y CA 1.505 59.615 58.100 0.018 0.000 1.182 683 Y CB 0.005 38.498 38.460 0.055 0.000 0.979 683 Y HN 0.081 nan 8.280 nan 0.000 0.521 684 R N -0.218 120.336 120.500 0.091 0.000 2.119 684 R HA -0.022 4.318 4.340 0.001 0.000 0.222 684 R C 1.652 177.929 176.300 -0.039 0.000 1.088 684 R CA 0.936 57.046 56.100 0.017 0.000 0.984 684 R CB -0.350 29.967 30.300 0.029 0.000 0.884 684 R HN 0.198 nan 8.270 nan 0.000 0.447 685 N N -0.412 118.240 118.700 -0.080 0.000 2.494 685 N HA -0.059 4.682 4.740 0.001 0.000 0.182 685 N C 0.342 175.750 175.510 -0.169 0.000 1.076 685 N CA 1.085 54.073 53.050 -0.103 0.000 0.908 685 N CB 0.194 38.636 38.487 -0.075 0.000 0.967 685 N HN 0.182 nan 8.380 nan 0.000 0.449 686 S N -1.099 114.453 115.700 -0.247 0.000 2.561 686 S HA 0.109 4.579 4.470 0.001 0.000 0.245 686 S C 0.515 175.144 174.600 0.049 0.000 1.001 686 S CA -0.734 57.386 58.200 -0.133 0.000 1.002 686 S CB -0.525 62.543 63.200 -0.220 0.000 0.805 686 S HN 0.192 nan 8.310 nan 0.000 0.458 687 T N -1.608 112.931 114.554 -0.025 0.000 2.909 687 T HA 0.505 4.855 4.350 0.001 0.000 0.286 687 T C 1.310 175.996 174.700 -0.024 0.000 1.002 687 T CA -0.653 61.426 62.100 -0.035 0.000 1.074 687 T CB 1.406 70.219 68.868 -0.092 0.000 0.984 687 T HN -0.046 nan 8.240 nan 0.000 0.495 688 V N 2.370 122.270 119.914 -0.023 0.000 2.343 688 V HA -0.158 3.962 4.120 0.001 0.000 0.247 688 V C 2.594 178.645 176.094 -0.072 0.000 1.051 688 V CA 1.887 64.160 62.300 -0.044 0.000 1.036 688 V CB -0.894 30.901 31.823 -0.046 0.000 0.654 688 V HN 0.846 nan 8.190 nan 0.000 0.451 689 M N 0.872 120.414 119.600 -0.097 0.000 2.213 689 M HA -0.131 4.350 4.480 0.001 0.000 0.263 689 M C 2.316 178.573 176.300 -0.072 0.000 1.062 689 M CA 1.986 57.219 55.300 -0.112 0.000 1.105 689 M CB -0.880 31.669 32.600 -0.085 0.000 1.385 689 M HN 0.527 nan 8.290 nan 0.000 0.417 690 S N -0.046 115.626 115.700 -0.047 0.000 2.474 690 S HA -0.080 4.391 4.470 0.001 0.000 0.235 690 S C 1.706 176.304 174.600 -0.004 0.000 0.997 690 S CA 0.669 58.853 58.200 -0.026 0.000 0.949 690 S CB -0.441 62.744 63.200 -0.026 0.000 0.766 690 S HN 0.547 nan 8.310 nan 0.000 0.517 691 R N 0.550 121.064 120.500 0.023 0.000 2.427 691 R HA 0.470 4.811 4.340 0.001 0.000 0.262 691 R C 2.066 178.474 176.300 0.181 0.000 0.943 691 R CA 0.404 56.553 56.100 0.081 0.000 1.081 691 R CB -0.194 30.154 30.300 0.080 0.000 1.166 691 R HN 0.461 nan 8.270 nan 0.000 0.534 692 A N 2.213 125.065 122.820 0.054 0.000 1.873 692 A HA -0.234 4.086 4.320 0.001 0.000 0.218 692 A C 1.824 179.471 177.584 0.106 0.000 1.193 692 A CA 1.426 53.445 52.037 -0.031 0.000 0.629 692 A CB -0.191 18.716 19.000 -0.154 0.000 0.826 692 A HN 0.254 nan 8.150 nan 0.000 0.447 693 E N 0.306 120.547 120.200 0.069 0.000 2.169 693 E HA -0.237 4.114 4.350 0.001 0.000 0.202 693 E C 1.288 177.950 176.600 0.105 0.000 1.016 693 E CA 1.417 57.861 56.400 0.073 0.000 0.817 693 E CB -0.573 29.152 29.700 0.043 0.000 0.736 693 E HN 0.606 nan 8.360 nan 0.000 0.462 694 N N 0.119 118.888 118.700 0.115 0.000 2.550 694 N HA -0.051 4.690 4.740 0.001 0.000 0.186 694 N C 1.150 176.658 175.510 -0.003 0.000 1.110 694 N CA 0.377 53.445 53.050 0.031 0.000 0.912 694 N CB -0.222 38.235 38.487 -0.050 0.000 0.968 694 N HN 0.142 nan 8.380 nan 0.000 0.448 695 F N 1.360 121.259 119.950 -0.086 0.000 2.748 695 F HA 0.094 4.622 4.527 0.001 0.000 0.299 695 F C 1.841 177.640 175.800 -0.002 0.000 1.154 695 F CA 0.392 58.336 58.000 -0.093 0.000 1.446 695 F CB -0.002 38.883 39.000 -0.191 0.000 1.112 695 F HN -0.057 nan 8.300 nan 0.000 0.584 696 K N 0.025 120.522 120.400 0.162 0.000 2.280 696 K HA -0.181 4.140 4.320 0.001 0.000 0.202 696 K C 1.567 178.226 176.600 0.097 0.000 1.047 696 K CA 1.073 57.435 56.287 0.124 0.000 0.942 696 K CB -0.241 32.312 32.500 0.089 0.000 0.739 696 K HN 0.427 nan 8.250 nan 0.000 0.457 697 Q N 0.546 120.385 119.800 0.065 0.000 2.451 697 Q HA 0.014 4.355 4.340 0.001 0.000 0.206 697 Q C 0.283 176.324 176.000 0.068 0.000 0.947 697 Q CA 0.235 56.067 55.803 0.049 0.000 0.937 697 Q CB 0.504 29.252 28.738 0.016 0.000 1.025 697 Q HN 0.149 nan 8.270 nan 0.000 0.511 698 V N -3.154 116.816 119.914 0.093 0.000 3.078 698 V HA 0.448 4.569 4.120 0.001 0.000 0.311 698 V C -1.150 175.077 176.094 0.220 0.000 1.138 698 V CA -1.349 61.030 62.300 0.132 0.000 1.007 698 V CB 2.218 34.089 31.823 0.079 0.000 1.045 698 V HN -0.061 nan 8.190 nan 0.000 0.432 699 E N 1.694 122.052 120.200 0.263 0.000 2.130 699 E HA 0.451 4.802 4.350 0.001 0.000 0.284 699 E C -1.745 175.213 176.600 0.597 0.000 1.018 699 E CA -0.260 56.364 56.400 0.374 0.000 0.817 699 E CB 1.367 31.217 29.700 0.249 0.000 1.078 699 E HN 0.665 nan 8.360 nan 0.000 0.396 700 Y N 3.487 124.040 120.300 0.423 0.000 2.409 700 Y HA 0.479 5.029 4.550 0.001 0.000 0.343 700 Y C -1.579 174.407 175.900 0.144 0.000 0.973 700 Y CA -1.527 56.761 58.100 0.314 0.000 1.064 700 Y CB 1.072 39.738 38.460 0.343 0.000 1.207 700 Y HN 0.424 nan 8.280 nan 0.000 0.452 701 L N 7.670 128.599 121.223 -0.489 0.000 2.349 701 L HA 0.634 4.974 4.340 0.001 0.000 0.278 701 L C -2.275 174.138 176.870 -0.762 0.000 0.996 701 L CA -0.759 53.657 54.840 -0.707 0.000 0.825 701 L CB 1.411 42.702 42.059 -1.282 0.000 1.243 701 L HN 0.633 nan 8.230 nan 0.000 0.412 702 L N 6.586 127.467 121.223 -0.571 0.000 2.333 702 L HA 0.747 5.087 4.340 0.001 0.000 0.280 702 L C -1.277 175.475 176.870 -0.196 0.000 1.004 702 L CA -0.061 54.496 54.840 -0.471 0.000 0.820 702 L CB 1.333 43.158 42.059 -0.389 0.000 1.247 702 L HN 0.619 nan 8.230 nan 0.000 0.416 703 I N 4.368 124.833 120.570 -0.174 0.000 2.619 703 I HA 0.470 4.641 4.170 0.001 0.000 0.292 703 I C -1.277 174.812 176.117 -0.046 0.000 1.100 703 I CA -0.661 60.587 61.300 -0.086 0.000 1.043 703 I CB 2.157 40.061 38.000 -0.159 0.000 1.239 703 I HN 0.685 nan 8.210 nan 0.000 0.420 704 H N 2.149 121.274 119.070 0.090 0.000 3.085 704 H HA 0.514 5.071 4.556 0.001 0.000 0.356 704 H C -0.329 175.218 175.328 0.365 0.000 1.178 704 H CA -0.510 55.649 56.048 0.184 0.000 1.214 704 H CB 2.058 31.910 29.762 0.151 0.000 1.881 704 H HN 0.744 nan 8.280 nan 0.000 0.538 705 G N 0.941 110.039 108.800 0.497 0.000 2.390 705 G HA2 0.210 4.171 3.960 0.001 0.000 0.270 705 G HA3 0.210 4.171 3.960 0.001 0.000 0.270 705 G C 1.118 176.316 174.900 0.496 0.000 1.211 705 G CA 0.151 45.537 45.100 0.476 0.000 0.842 705 G HN 0.762 nan 8.290 nan 0.000 0.519 706 T N -0.585 114.107 114.554 0.230 0.000 2.995 706 T HA 0.076 4.426 4.350 0.001 0.000 0.269 706 T C 1.709 176.413 174.700 0.006 0.000 1.091 706 T CA 1.291 63.355 62.100 -0.060 0.000 1.128 706 T CB 0.169 68.925 68.868 -0.187 0.000 0.891 706 T HN 0.694 nan 8.240 nan 0.000 0.492 707 A N 0.881 123.770 122.820 0.115 0.000 2.610 707 A HA 0.311 4.631 4.320 0.001 0.000 0.286 707 A C 0.380 177.940 177.584 -0.040 0.000 1.306 707 A CA -0.511 51.570 52.037 0.074 0.000 0.942 707 A CB -0.215 19.073 19.000 0.480 0.000 1.112 707 A HN 0.356 nan 8.150 nan 0.000 0.527 708 D N 1.677 122.080 120.400 0.006 0.000 2.342 708 D HA -0.015 4.625 4.640 0.001 0.000 0.260 708 D C 0.346 176.599 176.300 -0.078 0.000 1.278 708 D CA 0.220 54.297 54.000 0.129 0.000 0.910 708 D CB 0.668 41.688 40.800 0.367 0.000 1.079 708 D HN 0.572 nan 8.370 nan 0.000 0.496 709 D N 2.336 122.729 120.400 -0.011 0.000 2.347 709 D HA -0.136 4.504 4.640 0.001 0.000 0.213 709 D C 0.932 177.200 176.300 -0.053 0.000 0.985 709 D CA -0.017 53.928 54.000 -0.091 0.000 0.879 709 D CB 0.462 41.166 40.800 -0.159 0.000 0.919 709 D HN 0.217 nan 8.370 nan 0.000 0.526 710 N N 0.761 119.499 118.700 0.062 0.000 2.426 710 N HA -0.040 4.700 4.740 0.001 0.000 0.205 710 N C -0.058 175.372 175.510 -0.133 0.000 1.040 710 N CA 0.465 53.573 53.050 0.096 0.000 0.990 710 N CB 0.450 38.985 38.487 0.079 0.000 1.215 710 N HN -0.107 nan 8.380 nan 0.000 0.491 711 V N 3.111 122.952 119.914 -0.121 0.000 2.320 711 V HA 0.210 4.330 4.120 0.001 0.000 0.265 711 V C -0.455 175.659 176.094 0.034 0.000 1.048 711 V CA -0.403 61.870 62.300 -0.044 0.000 0.865 711 V CB -0.386 31.486 31.823 0.082 0.000 1.043 711 V HN 0.282 nan 8.190 nan 0.000 0.474 712 H N 3.096 122.136 119.070 -0.051 0.000 2.771 712 H HA 0.047 4.603 4.556 0.001 0.000 0.364 712 H C 0.810 175.978 175.328 -0.267 0.000 1.133 712 H CA -0.193 55.746 56.048 -0.181 0.000 1.423 712 H CB 0.840 30.414 29.762 -0.313 0.000 1.425 712 H HN 0.610 nan 8.280 nan 0.000 0.606 713 F N 1.725 121.487 119.950 -0.313 0.000 2.184 713 F HA -0.314 4.214 4.527 0.001 0.000 0.301 713 F C 2.555 178.074 175.800 -0.469 0.000 1.076 713 F CA 1.763 59.395 58.000 -0.613 0.000 1.295 713 F CB -0.208 38.618 39.000 -0.289 0.000 1.026 713 F HN 0.660 nan 8.300 nan 0.000 0.494 714 Q N 0.135 119.755 119.800 -0.299 0.000 2.182 714 Q HA -0.344 3.996 4.340 0.001 0.000 0.213 714 Q C 2.157 177.879 176.000 -0.463 0.000 1.000 714 Q CA 2.477 58.050 55.803 -0.383 0.000 0.889 714 Q CB -0.316 28.172 28.738 -0.416 0.000 0.932 714 Q HN 0.604 nan 8.270 nan 0.000 0.415 715 Q N -0.560 119.009 119.800 -0.385 0.000 2.030 715 Q HA -0.129 4.212 4.340 0.001 0.000 0.204 715 Q C 2.250 178.127 176.000 -0.205 0.000 0.986 715 Q CA 1.799 57.511 55.803 -0.152 0.000 0.843 715 Q CB -0.160 28.558 28.738 -0.032 0.000 0.904 715 Q HN 0.325 nan 8.270 nan 0.000 0.420 716 S N 0.568 116.026 115.700 -0.403 0.000 2.436 716 S HA 0.009 4.479 4.470 0.001 0.000 0.228 716 S C 1.993 176.345 174.600 -0.414 0.000 1.014 716 S CA 0.671 58.665 58.200 -0.343 0.000 0.950 716 S CB -0.051 62.963 63.200 -0.310 0.000 0.784 716 S HN 0.453 nan 8.310 nan 0.000 0.504 717 A N 1.455 123.909 122.820 -0.611 0.000 1.933 717 A HA -0.125 4.195 4.320 0.001 0.000 0.218 717 A C 2.113 179.583 177.584 -0.190 0.000 1.175 717 A CA 1.097 52.911 52.037 -0.372 0.000 0.628 717 A CB -0.377 18.426 19.000 -0.328 0.000 0.814 717 A HN 0.376 nan 8.150 nan 0.000 0.444 718 Q N -0.470 119.228 119.800 -0.170 0.000 2.172 718 Q HA 0.002 4.343 4.340 0.001 0.000 0.200 718 Q C 2.104 178.049 176.000 -0.091 0.000 0.964 718 Q CA 0.856 56.620 55.803 -0.066 0.000 0.855 718 Q CB -0.307 28.475 28.738 0.072 0.000 0.918 718 Q HN 0.773 nan 8.270 nan 0.000 0.444 719 I N 1.341 121.831 120.570 -0.135 0.000 2.113 719 I HA -0.318 3.853 4.170 0.001 0.000 0.238 719 I C 2.592 178.539 176.117 -0.283 0.000 1.070 719 I CA 1.609 62.785 61.300 -0.208 0.000 1.332 719 I CB -0.562 37.329 38.000 -0.183 0.000 1.044 719 I HN 0.204 nan 8.210 nan 0.000 0.402 720 S N 0.912 116.476 115.700 -0.227 0.000 2.374 720 S HA -0.327 4.143 4.470 0.001 0.000 0.227 720 S C 2.018 176.598 174.600 -0.032 0.000 1.037 720 S CA 1.794 59.915 58.200 -0.131 0.000 1.024 720 S CB -0.592 62.692 63.200 0.141 0.000 0.861 720 S HN 0.382 nan 8.310 nan 0.000 0.456 721 K N 1.703 122.079 120.400 -0.040 0.000 2.063 721 K HA -0.033 4.288 4.320 0.001 0.000 0.208 721 K C 2.343 178.920 176.600 -0.039 0.000 1.048 721 K CA 1.208 57.486 56.287 -0.015 0.000 0.928 721 K CB -0.671 31.817 32.500 -0.019 0.000 0.713 721 K HN 0.472 nan 8.250 nan 0.000 0.442 722 A N 1.028 123.792 122.820 -0.093 0.000 1.902 722 A HA -0.122 4.199 4.320 0.001 0.000 0.217 722 A C 2.090 179.596 177.584 -0.131 0.000 1.181 722 A CA 1.313 53.283 52.037 -0.111 0.000 0.623 722 A CB -0.577 18.330 19.000 -0.156 0.000 0.818 722 A HN 0.310 nan 8.150 nan 0.000 0.443 723 L N -0.596 120.498 121.223 -0.216 0.000 2.056 723 L HA -0.142 4.199 4.340 0.001 0.000 0.207 723 L C 2.528 179.415 176.870 0.028 0.000 1.078 723 L CA 0.960 55.678 54.840 -0.204 0.000 0.749 723 L CB -0.607 41.114 42.059 -0.564 0.000 0.901 723 L HN 0.238 nan 8.230 nan 0.000 0.433 724 V N -0.129 119.848 119.914 0.105 0.000 2.287 724 V HA -0.307 3.814 4.120 0.001 0.000 0.248 724 V C 2.052 178.183 176.094 0.062 0.000 1.053 724 V CA 1.954 64.332 62.300 0.130 0.000 1.027 724 V CB -0.563 31.339 31.823 0.131 0.000 0.646 724 V HN 0.447 nan 8.190 nan 0.000 0.447 725 D N -0.571 119.846 120.400 0.028 0.000 2.263 725 D HA -0.106 4.535 4.640 0.001 0.000 0.208 725 D C 1.673 177.983 176.300 0.016 0.000 0.971 725 D CA 1.174 55.183 54.000 0.016 0.000 0.867 725 D CB 0.078 40.878 40.800 0.000 0.000 0.929 725 D HN 0.403 nan 8.370 nan 0.000 0.492 726 V N -0.599 119.324 119.914 0.015 0.000 3.319 726 V HA 0.314 4.435 4.120 0.001 0.000 0.317 726 V C 0.983 177.101 176.094 0.041 0.000 1.411 726 V CA 0.794 63.105 62.300 0.019 0.000 1.112 726 V CB -0.022 31.804 31.823 0.004 0.000 1.031 726 V HN 0.314 nan 8.190 nan 0.000 0.448 727 G N 0.916 109.750 108.800 0.056 0.000 2.198 727 G HA2 -0.201 3.760 3.960 0.001 0.000 0.260 727 G HA3 -0.201 3.760 3.960 0.001 0.000 0.260 727 G C 0.071 175.031 174.900 0.099 0.000 1.025 727 G CA 0.400 45.543 45.100 0.072 0.000 0.769 727 G HN 0.667 nan 8.290 nan 0.000 0.507 728 V N 0.464 120.455 119.914 0.127 0.000 2.465 728 V HA 0.449 4.569 4.120 0.001 0.000 0.279 728 V C 0.536 176.803 176.094 0.288 0.000 1.045 728 V CA -0.703 61.704 62.300 0.178 0.000 0.938 728 V CB 1.724 33.634 31.823 0.145 0.000 0.986 728 V HN 0.356 nan 8.190 nan 0.000 0.467 729 D N 3.347 123.895 120.400 0.246 0.000 2.264 729 D HA 0.596 5.237 4.640 0.001 0.000 0.249 729 D C -0.542 176.001 176.300 0.405 0.000 1.070 729 D CA 0.103 54.243 54.000 0.232 0.000 0.912 729 D CB 1.127 41.994 40.800 0.112 0.000 1.193 729 D HN 0.349 nan 8.370 nan 0.000 0.427 730 F N -0.949 119.082 119.950 0.134 0.000 2.779 730 F HA 0.461 4.989 4.527 0.001 0.000 0.316 730 F C -1.375 174.495 175.800 0.117 0.000 1.164 730 F CA -1.047 57.060 58.000 0.178 0.000 0.924 730 F CB 0.817 39.960 39.000 0.239 0.000 1.348 730 F HN 0.107 nan 8.300 nan 0.000 0.467 731 Q N 1.199 121.086 119.800 0.145 0.000 2.309 731 Q HA 0.807 5.147 4.340 0.001 0.000 0.264 731 Q C -1.026 174.983 176.000 0.015 0.000 1.008 731 Q CA -1.159 54.641 55.803 -0.005 0.000 0.853 731 Q CB 2.504 31.290 28.738 0.080 0.000 1.314 731 Q HN 1.005 nan 8.270 nan 0.000 0.448 732 A N 2.041 124.838 122.820 -0.039 0.000 2.430 732 A HA 0.890 5.210 4.320 0.001 0.000 0.300 732 A C -1.266 176.266 177.584 -0.087 0.000 1.124 732 A CA -0.597 51.443 52.037 0.005 0.000 0.766 732 A CB 1.948 21.002 19.000 0.090 0.000 1.328 732 A HN 0.642 nan 8.150 nan 0.000 0.424 733 M N 0.981 120.510 119.600 -0.118 0.000 2.274 733 M HA 0.524 5.005 4.480 0.001 0.000 0.272 733 M C -1.888 174.285 176.300 -0.211 0.000 1.053 733 M CA -0.611 54.479 55.300 -0.349 0.000 0.978 733 M CB 1.088 33.388 32.600 -0.501 0.000 1.836 733 M HN 0.919 nan 8.290 nan 0.000 0.484 734 W N 4.370 125.519 121.300 -0.251 0.000 2.448 734 W HA 0.764 5.424 4.660 0.001 0.000 0.339 734 W C -1.914 174.288 176.519 -0.527 0.000 1.124 734 W CA -0.692 56.557 57.345 -0.160 0.000 1.262 734 W CB 0.307 29.715 29.460 -0.086 0.000 1.251 734 W HN 0.613 nan 8.180 nan 0.000 0.597 735 Y N 2.158 122.570 120.300 0.187 0.000 2.447 735 Y HA 0.296 4.847 4.550 0.001 0.000 0.325 735 Y C 0.374 176.384 175.900 0.183 0.000 0.976 735 Y CA -1.214 56.932 58.100 0.076 0.000 1.280 735 Y CB 1.236 39.718 38.460 0.037 0.000 1.104 735 Y HN 0.409 nan 8.280 nan 0.000 0.486 736 T N 4.541 119.252 114.554 0.261 0.000 2.829 736 T HA 0.016 4.367 4.350 0.001 0.000 0.293 736 T C 0.151 174.924 174.700 0.120 0.000 0.970 736 T CA 0.586 62.789 62.100 0.172 0.000 1.168 736 T CB -0.065 68.847 68.868 0.075 0.000 0.911 736 T HN 0.702 nan 8.240 nan 0.000 0.535 737 D N 0.661 121.109 120.400 0.081 0.000 3.028 737 D HA -0.118 4.523 4.640 0.001 0.000 0.207 737 D C 0.290 176.723 176.300 0.222 0.000 1.100 737 D CA 1.086 55.082 54.000 -0.006 0.000 0.995 737 D CB -0.392 40.197 40.800 -0.353 0.000 1.108 737 D HN 0.543 nan 8.370 nan 0.000 0.421 738 E N 0.858 121.209 120.200 0.252 0.000 2.319 738 E HA 0.354 4.705 4.350 0.001 0.000 0.268 738 E C 0.783 177.571 176.600 0.312 0.000 1.050 738 E CA -0.214 56.353 56.400 0.280 0.000 0.878 738 E CB 1.209 31.070 29.700 0.269 0.000 1.066 738 E HN 0.347 nan 8.360 nan 0.000 0.406 739 D N -0.638 119.957 120.400 0.324 0.000 2.509 739 D HA 0.000 4.641 4.640 0.001 0.000 0.275 739 D C 1.088 177.620 176.300 0.387 0.000 1.189 739 D CA -0.098 54.114 54.000 0.352 0.000 1.098 739 D CB -0.295 40.734 40.800 0.381 0.000 1.177 739 D HN 0.398 nan 8.370 nan 0.000 0.599 740 H N -1.627 117.614 119.070 0.286 0.000 2.456 740 H HA 0.149 4.706 4.556 0.001 0.000 0.296 740 H C 1.847 177.423 175.328 0.413 0.000 1.079 740 H CA 2.042 58.279 56.048 0.315 0.000 1.322 740 H CB -0.328 29.605 29.762 0.285 0.000 1.388 740 H HN 0.475 nan 8.280 nan 0.000 0.538 741 G N -0.555 108.432 108.800 0.311 0.000 2.838 741 G HA2 0.044 4.004 3.960 0.001 0.000 0.210 741 G HA3 0.044 4.004 3.960 0.001 0.000 0.210 741 G C 0.565 175.648 174.900 0.305 0.000 1.153 741 G CA 0.197 45.386 45.100 0.148 0.000 0.778 741 G HN 0.475 nan 8.290 nan 0.000 0.539 742 I N 0.213 120.991 120.570 0.347 0.000 5.071 742 I HA -0.329 3.841 4.170 0.001 0.000 0.126 742 I C 1.565 177.815 176.117 0.223 0.000 1.290 742 I CA 0.151 61.609 61.300 0.263 0.000 2.644 742 I CB -0.899 37.236 38.000 0.224 0.000 2.208 742 I HN 0.264 nan 8.210 nan 0.000 0.322 743 A N 1.521 124.447 122.820 0.177 0.000 2.343 743 A HA 0.252 4.573 4.320 0.001 0.000 0.223 743 A C 1.214 178.850 177.584 0.087 0.000 1.214 743 A CA 0.589 52.697 52.037 0.118 0.000 0.900 743 A CB 0.185 19.227 19.000 0.071 0.000 0.942 743 A HN 0.672 nan 8.150 nan 0.000 0.507 744 S N 0.117 115.885 115.700 0.112 0.000 2.560 744 S HA 0.115 4.586 4.470 0.001 0.000 0.276 744 S C 1.261 175.916 174.600 0.092 0.000 1.350 744 S CA 0.444 58.702 58.200 0.097 0.000 1.024 744 S CB 0.956 64.224 63.200 0.114 0.000 0.864 744 S HN 0.773 nan 8.310 nan 0.000 0.536 745 S N 1.410 117.151 115.700 0.068 0.000 2.377 745 S HA -0.121 4.349 4.470 0.001 0.000 0.223 745 S C 1.996 176.658 174.600 0.104 0.000 1.030 745 S CA 1.402 59.641 58.200 0.065 0.000 0.970 745 S CB -1.611 61.604 63.200 0.025 0.000 0.830 745 S HN 1.063 nan 8.310 nan 0.000 0.473 746 T N -0.416 114.190 114.554 0.086 0.000 2.951 746 T HA 0.255 4.605 4.350 0.001 0.000 0.268 746 T C 1.932 176.696 174.700 0.108 0.000 1.073 746 T CA 1.047 63.202 62.100 0.091 0.000 1.134 746 T CB -0.695 68.218 68.868 0.075 0.000 0.884 746 T HN 0.491 nan 8.240 nan 0.000 0.479 747 A N 1.393 124.263 122.820 0.084 0.000 1.897 747 A HA -0.027 4.294 4.320 0.001 0.000 0.215 747 A C 2.143 179.692 177.584 -0.059 0.000 1.181 747 A CA 1.778 53.806 52.037 -0.016 0.000 0.620 747 A CB -1.238 17.736 19.000 -0.044 0.000 0.821 747 A HN 0.699 nan 8.150 nan 0.000 0.443 748 H N -0.061 118.997 119.070 -0.021 0.000 2.289 748 H HA -0.205 4.351 4.556 0.001 0.000 0.296 748 H C 2.138 177.525 175.328 0.098 0.000 1.091 748 H CA 2.545 58.632 56.048 0.065 0.000 1.274 748 H CB -0.220 29.581 29.762 0.063 0.000 1.364 748 H HN 0.570 nan 8.280 nan 0.000 0.490 749 Q N -1.161 118.673 119.800 0.057 0.000 2.124 749 Q HA -0.192 4.149 4.340 0.001 0.000 0.202 749 Q C 2.272 178.259 176.000 -0.022 0.000 0.977 749 Q CA 1.350 57.134 55.803 -0.031 0.000 0.850 749 Q CB -0.174 28.583 28.738 0.032 0.000 0.901 749 Q HN 0.644 nan 8.270 nan 0.000 0.429 750 H N 0.598 119.640 119.070 -0.046 0.000 2.326 750 H HA -0.080 4.477 4.556 0.001 0.000 0.301 750 H C 2.020 177.335 175.328 -0.022 0.000 1.081 750 H CA 1.359 57.411 56.048 0.006 0.000 1.334 750 H CB 0.006 29.826 29.762 0.097 0.000 1.385 750 H HN 0.295 nan 8.280 nan 0.000 0.504 751 I N 0.153 120.675 120.570 -0.081 0.000 2.252 751 I HA -0.304 3.867 4.170 0.001 0.000 0.245 751 I C 1.754 177.647 176.117 -0.374 0.000 1.102 751 I CA 1.114 62.281 61.300 -0.221 0.000 1.385 751 I CB -0.295 37.386 38.000 -0.531 0.000 1.064 751 I HN 0.140 nan 8.210 nan 0.000 0.414 752 Y N 0.931 121.008 120.300 -0.370 0.000 2.333 752 Y HA -0.215 4.336 4.550 0.001 0.000 0.290 752 Y C 2.660 178.347 175.900 -0.355 0.000 1.144 752 Y CA 1.834 59.621 58.100 -0.521 0.000 1.228 752 Y CB -0.741 37.404 38.460 -0.525 0.000 0.985 752 Y HN 0.174 nan 8.280 nan 0.000 0.542 753 T N -1.983 112.472 114.554 -0.166 0.000 2.851 753 T HA -0.177 4.173 4.350 0.001 0.000 0.262 753 T C 1.534 176.069 174.700 -0.274 0.000 1.043 753 T CA 1.608 63.559 62.100 -0.249 0.000 1.140 753 T CB -0.365 68.357 68.868 -0.244 0.000 0.872 753 T HN 0.427 nan 8.240 nan 0.000 0.446 754 H N 0.871 119.778 119.070 -0.272 0.000 2.357 754 H HA 0.159 4.716 4.556 0.001 0.000 0.301 754 H C 2.157 177.447 175.328 -0.063 0.000 1.082 754 H CA 1.430 57.401 56.048 -0.128 0.000 1.342 754 H CB -0.208 29.478 29.762 -0.125 0.000 1.389 754 H HN 0.210 nan 8.280 nan 0.000 0.511 755 M N -0.675 118.846 119.600 -0.130 0.000 2.175 755 M HA -0.149 4.332 4.480 0.001 0.000 0.264 755 M C 2.290 178.664 176.300 0.125 0.000 1.063 755 M CA 1.483 56.698 55.300 -0.142 0.000 1.119 755 M CB 0.092 32.373 32.600 -0.532 0.000 1.377 755 M HN 0.247 nan 8.290 nan 0.000 0.415 756 S N -0.752 115.042 115.700 0.157 0.000 2.383 756 S HA -0.133 4.338 4.470 0.001 0.000 0.227 756 S C 1.644 176.360 174.600 0.192 0.000 1.026 756 S CA 0.903 59.310 58.200 0.345 0.000 0.981 756 S CB -0.521 62.903 63.200 0.373 0.000 0.818 756 S HN 0.474 nan 8.310 nan 0.000 0.472 757 H N -0.062 119.062 119.070 0.089 0.000 2.357 757 H HA 0.045 4.602 4.556 0.001 0.000 0.301 757 H C 1.929 177.261 175.328 0.006 0.000 1.082 757 H CA 1.024 57.084 56.048 0.022 0.000 1.342 757 H CB -0.683 29.049 29.762 -0.050 0.000 1.389 757 H HN 0.449 nan 8.280 nan 0.000 0.511 758 F N 1.362 121.298 119.950 -0.023 0.000 2.075 758 F HA -0.201 4.326 4.527 0.001 0.000 0.297 758 F C 2.265 178.027 175.800 -0.064 0.000 1.113 758 F CA 0.976 58.931 58.000 -0.074 0.000 1.218 758 F CB -0.298 38.626 39.000 -0.126 0.000 0.984 758 F HN -0.057 nan 8.300 nan 0.000 0.472 759 I N 0.972 121.585 120.570 0.073 0.000 2.163 759 I HA -0.298 3.873 4.170 0.001 0.000 0.243 759 I C 2.273 178.243 176.117 -0.246 0.000 1.085 759 I CA 1.532 62.720 61.300 -0.186 0.000 1.347 759 I CB -1.346 36.620 38.000 -0.058 0.000 1.044 759 I HN 0.237 nan 8.210 nan 0.000 0.408 760 K N 0.665 121.047 120.400 -0.030 0.000 2.063 760 K HA -0.241 4.079 4.320 0.001 0.000 0.208 760 K C 1.992 178.602 176.600 0.017 0.000 1.048 760 K CA 1.757 58.072 56.287 0.047 0.000 0.928 760 K CB -0.332 32.239 32.500 0.118 0.000 0.713 760 K HN 0.486 nan 8.250 nan 0.000 0.442 761 Q N 0.921 120.689 119.800 -0.054 0.000 2.119 761 Q HA -0.135 4.206 4.340 0.001 0.000 0.201 761 Q C 2.253 178.181 176.000 -0.121 0.000 0.972 761 Q CA 1.825 57.578 55.803 -0.083 0.000 0.847 761 Q CB -1.219 27.456 28.738 -0.105 0.000 0.903 761 Q HN 0.389 nan 8.270 nan 0.000 0.433 762 c N -0.537 117.902 118.600 -0.269 0.000 2.448 762 c HA 0.148 4.718 4.570 0.001 0.000 0.280 762 c C 1.376 175.526 174.090 0.101 0.000 1.398 762 c CA -0.111 56.080 56.329 -0.230 0.000 1.774 762 c CB -1.136 41.069 42.510 -0.507 0.000 1.888 762 c HN 0.514 nan 8.230 nan 0.000 0.519 763 F N 2.057 121.971 119.950 -0.059 0.000 2.693 763 F HA 0.269 4.796 4.527 0.001 0.000 0.303 763 F C 1.569 177.356 175.800 -0.020 0.000 1.097 763 F CA 0.040 58.027 58.000 -0.022 0.000 1.330 763 F CB -1.209 37.787 39.000 -0.006 0.000 1.067 763 F HN 0.265 nan 8.300 nan 0.000 0.565 764 S N 1.024 116.809 115.700 0.142 0.000 3.559 764 S HA -0.227 4.243 4.470 0.001 0.000 0.369 764 S C 0.114 174.759 174.600 0.075 0.000 0.987 764 S CA 0.168 58.413 58.200 0.074 0.000 1.187 764 S CB -2.209 61.019 63.200 0.047 0.000 0.914 764 S HN 0.245 nan 8.310 nan 0.000 0.480 765 L N 1.689 122.972 121.223 0.101 0.000 2.325 765 L HA 0.491 4.832 4.340 0.001 0.000 0.279 765 L C -1.006 175.907 176.870 0.072 0.000 1.054 765 L CA -2.062 52.830 54.840 0.087 0.000 0.804 765 L CB 0.405 42.533 42.059 0.114 0.000 1.200 765 L HN 0.097 nan 8.230 nan 0.000 0.436 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.058 0.000 0.800 766 P CB 0.000 31.727 31.700 0.044 0.000 0.726