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 2nyl_1_E DATA FIRST_RESID 28 DATA SEQUENCE QEKLFIQKLR QCCVLFDFVS DPLSDLKWKE VKRAALSEXV EYITHNRNVI DATA SEQUENCE TEPIYPEVVH XFAVNXFRTL PPSSNPTGAE FDPEEDEPTL EAAWPHLQLV DATA SEQUENCE YEFFLRFLES PDFQPNIAKK YIDQKFVLQL LELFDSEDPR ERDFLKTTLH DATA SEQUENCE RIYGKFLGLR AYIRKQINNI FYRFIYETEH HNGIAELLEI LGSIINGFAL DATA SEQUENCE PLKEEHKIFL LKVLLPLHKV KSLSVYHPQL AYCVVQFLEK DSTLTEPVVX DATA SEQUENCE ALLKYWPKTH SPKEVXFLNE LEEILDVIEP SEFVKIXEPL FRQLAKCVSS DATA SEQUENCE PHFQVAERAL YYWNNEYIXS LISDNAAKIL PIXFPSLYRN SKTHWNKTIH DATA SEQUENCE GLIYNALKLF XEXNQKLFDD CTQQFKAEKL KEKLKXKE 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 28 Q HA 0.000 nan 4.340 nan 0.000 0.214 28 Q C 0.000 176.012 176.000 0.021 0.000 1.003 28 Q CA 0.000 55.808 55.803 0.009 0.000 1.022 28 Q CB 0.000 28.739 28.738 0.002 0.000 1.108 29 E N -1.364 118.849 120.200 0.021 0.000 2.715 29 E HA 0.528 4.877 4.350 -0.001 0.000 0.224 29 E C 0.344 176.964 176.600 0.034 0.000 0.962 29 E CA 1.091 57.509 56.400 0.030 0.000 1.145 29 E CB 0.726 30.440 29.700 0.024 0.000 1.083 29 E HN 1.607 nan 8.360 nan 0.000 0.506 30 K N 0.262 120.679 120.400 0.027 0.000 2.624 30 K HA 0.779 5.098 4.320 -0.001 0.000 0.200 30 K C 1.080 177.693 176.600 0.022 0.000 1.036 30 K CA 0.239 56.542 56.287 0.027 0.000 1.029 30 K CB -0.503 32.006 32.500 0.015 0.000 1.317 30 K HN 0.953 nan 8.250 nan 0.000 0.555 31 L N -0.354 120.895 121.223 0.044 0.000 2.418 31 L HA 0.453 4.792 4.340 -0.001 0.000 0.218 31 L C 2.242 179.122 176.870 0.016 0.000 1.125 31 L CA 1.628 56.488 54.840 0.033 0.000 0.835 31 L CB -1.578 40.540 42.059 0.098 0.000 0.953 31 L HN 1.091 nan 8.230 nan 0.000 0.454 32 F N -0.513 119.465 119.950 0.046 0.000 2.706 32 F HA 0.519 5.045 4.527 -0.001 0.000 0.315 32 F C 1.322 177.101 175.800 -0.036 0.000 1.286 32 F CA 1.070 59.092 58.000 0.035 0.000 1.424 32 F CB -1.253 37.805 39.000 0.096 0.000 1.262 32 F HN 1.117 nan 8.300 nan 0.000 0.547 33 I N -2.831 117.696 120.570 -0.072 0.000 3.967 33 I HA 0.366 4.535 4.170 -0.001 0.000 0.400 33 I C 1.138 177.198 176.117 -0.094 0.000 0.945 33 I CA 1.146 62.396 61.300 -0.083 0.000 1.194 33 I CB -1.002 36.970 38.000 -0.045 0.000 2.989 33 I HN 0.643 nan 8.210 nan 0.000 0.874 34 Q N 0.660 120.400 119.800 -0.101 0.000 2.349 34 Q HA 0.359 4.698 4.340 -0.001 0.000 0.209 34 Q C 2.222 178.123 176.000 -0.165 0.000 0.920 34 Q CA 2.178 57.913 55.803 -0.114 0.000 0.901 34 Q CB -0.353 28.325 28.738 -0.099 0.000 1.021 34 Q HN 1.465 nan 8.270 nan 0.000 0.519 35 K N -0.192 120.090 120.400 -0.198 0.000 2.121 35 K HA 0.535 4.855 4.320 -0.001 0.000 0.203 35 K C 2.414 178.856 176.600 -0.264 0.000 1.041 35 K CA 1.258 57.399 56.287 -0.244 0.000 0.969 35 K CB -1.452 30.914 32.500 -0.223 0.000 0.799 35 K HN 1.104 nan 8.250 nan 0.000 0.456 36 L N 0.916 121.930 121.223 -0.349 0.000 2.651 36 L HA 0.245 4.585 4.340 -0.001 0.000 0.236 36 L C 2.573 179.336 176.870 -0.179 0.000 1.173 36 L CA 2.709 57.347 54.840 -0.336 0.000 0.843 36 L CB -2.363 39.487 42.059 -0.349 0.000 0.964 36 L HN 0.783 nan 8.230 nan 0.000 0.454 37 R N -2.366 118.043 120.500 -0.150 0.000 2.435 37 R HA 0.432 4.771 4.340 -0.001 0.000 0.221 37 R C 2.118 178.358 176.300 -0.100 0.000 0.885 37 R CA 1.768 57.806 56.100 -0.103 0.000 1.018 37 R CB -0.749 29.498 30.300 -0.089 0.000 1.259 37 R HN 0.883 nan 8.270 nan 0.000 0.597 38 Q N -0.284 119.438 119.800 -0.130 0.000 2.062 38 Q HA 0.092 4.431 4.340 -0.001 0.000 0.196 38 Q C 2.737 178.666 176.000 -0.118 0.000 0.967 38 Q CA 2.061 57.783 55.803 -0.135 0.000 0.832 38 Q CB -1.628 26.999 28.738 -0.185 0.000 0.899 38 Q HN 1.016 nan 8.270 nan 0.000 0.442 39 C N 0.575 119.807 119.300 -0.113 0.000 2.432 39 C HA 0.084 4.543 4.460 -0.001 0.000 0.277 39 C C 3.075 178.053 174.990 -0.021 0.000 1.249 39 C CA 2.249 61.234 59.018 -0.054 0.000 1.725 39 C CB -1.572 26.172 27.740 0.008 0.000 2.028 39 C HN 0.932 nan 8.230 nan 0.000 0.477 40 C N 0.258 119.545 119.300 -0.022 0.000 2.401 40 C HA 0.308 4.768 4.460 -0.001 0.000 0.286 40 C C 2.898 177.881 174.990 -0.010 0.000 1.332 40 C CA 2.920 61.941 59.018 0.005 0.000 1.795 40 C CB -1.603 26.130 27.740 -0.012 0.000 1.922 40 C HN 0.850 nan 8.230 nan 0.000 0.520 41 V N 0.293 120.186 119.914 -0.036 0.000 2.255 41 V HA 0.183 4.302 4.120 -0.001 0.000 0.243 41 V C 2.982 179.055 176.094 -0.035 0.000 1.038 41 V CA 3.486 65.763 62.300 -0.038 0.000 1.008 41 V CB -1.212 30.577 31.823 -0.057 0.000 0.645 41 V HN 1.031 nan 8.190 nan 0.000 0.449 42 L N -0.639 120.553 121.223 -0.051 0.000 2.079 42 L HA 0.130 4.469 4.340 -0.001 0.000 0.210 42 L C 2.795 179.643 176.870 -0.036 0.000 1.081 42 L CA 3.377 58.184 54.840 -0.055 0.000 0.752 42 L CB -2.186 39.825 42.059 -0.079 0.000 0.896 42 L HN 0.942 nan 8.230 nan 0.000 0.433 43 F N 0.270 120.204 119.950 -0.026 0.000 2.057 43 F HA 0.023 4.549 4.527 -0.001 0.000 0.307 43 F C 2.546 178.313 175.800 -0.055 0.000 1.537 43 F CA 2.220 60.189 58.000 -0.052 0.000 1.212 43 F CB -1.545 37.450 39.000 -0.007 0.000 0.907 43 F HN 0.560 nan 8.300 nan 0.000 0.566 44 D N -0.517 119.864 120.400 -0.031 0.000 2.426 44 D HA -0.044 4.595 4.640 -0.001 0.000 0.218 44 D C 2.337 178.628 176.300 -0.016 0.000 0.978 44 D CA 2.750 56.739 54.000 -0.018 0.000 0.983 44 D CB -1.976 38.838 40.800 0.023 0.000 0.862 44 D HN 1.683 nan 8.370 nan 0.000 0.498 45 F N 0.227 120.170 119.950 -0.011 0.000 2.037 45 F HA 0.179 4.705 4.527 -0.001 0.000 0.296 45 F C 2.666 178.465 175.800 -0.002 0.000 1.132 45 F CA 2.628 60.631 58.000 0.005 0.000 1.211 45 F CB -1.381 37.637 39.000 0.031 0.000 0.951 45 F HN 1.683 nan 8.300 nan 0.000 0.503 46 V N -0.551 119.360 119.914 -0.004 0.000 4.254 46 V HA 0.292 4.411 4.120 -0.001 0.000 0.486 46 V C 0.037 176.102 176.094 -0.049 0.000 0.683 46 V CA 0.958 63.240 62.300 -0.030 0.000 1.904 46 V CB -2.071 29.728 31.823 -0.039 0.000 2.271 46 V HN 2.595 nan 8.190 nan 0.000 0.503 47 S N 3.349 118.991 115.700 -0.097 0.000 2.774 47 S HA 0.850 5.320 4.470 -0.001 0.000 0.297 47 S C 0.112 174.628 174.600 -0.140 0.000 1.143 47 S CA 0.629 58.757 58.200 -0.119 0.000 1.090 47 S CB 0.665 63.778 63.200 -0.145 0.000 1.019 47 S HN 2.464 nan 8.310 nan 0.000 0.482 48 D N 2.267 122.614 120.400 -0.090 0.000 2.451 48 D HA 0.511 5.150 4.640 -0.001 0.000 0.254 48 D C -0.756 175.495 176.300 -0.080 0.000 1.204 48 D CA -0.300 53.655 54.000 -0.075 0.000 0.896 48 D CB 0.077 40.848 40.800 -0.049 0.000 1.136 48 D HN 0.653 nan 8.370 nan 0.000 0.499 49 P HA 0.663 nan 4.420 nan 0.000 0.257 49 P C 0.170 177.447 177.300 -0.037 0.000 1.737 49 P CA 1.002 64.061 63.100 -0.069 0.000 1.130 49 P CB -0.293 31.358 31.700 -0.081 0.000 1.572 50 L N -1.904 119.300 121.223 -0.032 0.000 2.935 50 L HA 0.879 5.218 4.340 -0.001 0.000 0.243 50 L C 0.967 177.825 176.870 -0.020 0.000 1.313 50 L CA 0.848 55.675 54.840 -0.021 0.000 0.969 50 L CB -0.393 41.654 42.059 -0.019 0.000 1.320 50 L HN 0.363 nan 8.230 nan 0.000 0.511 51 S N -1.403 114.285 115.700 -0.020 0.000 2.079 51 S HA 0.433 4.902 4.470 -0.001 0.000 0.237 51 S C 1.047 175.637 174.600 -0.016 0.000 0.900 51 S CA 1.235 59.425 58.200 -0.018 0.000 1.599 51 S CB -0.230 62.958 63.200 -0.020 0.000 1.167 51 S HN 2.179 nan 8.310 nan 0.000 0.551 52 D N -0.967 119.421 120.400 -0.019 0.000 2.772 52 D HA 0.424 5.063 4.640 -0.001 0.000 0.233 52 D C 0.878 177.168 176.300 -0.017 0.000 1.143 52 D CA 1.570 55.560 54.000 -0.016 0.000 0.700 52 D CB -2.514 38.281 40.800 -0.009 0.000 1.076 52 D HN 2.197 nan 8.370 nan 0.000 0.430 53 L N -4.340 116.870 121.223 -0.022 0.000 2.333 53 L HA 1.159 5.499 4.340 -0.001 0.000 0.263 53 L C 1.973 178.829 176.870 -0.024 0.000 1.014 53 L CA 0.593 55.421 54.840 -0.019 0.000 0.820 53 L CB 0.786 42.835 42.059 -0.017 0.000 1.352 53 L HN 2.049 nan 8.230 nan 0.000 0.421 54 K N -2.358 118.030 120.400 -0.019 0.000 3.330 54 K HA -0.053 4.266 4.320 -0.001 0.000 0.284 54 K C 1.252 177.842 176.600 -0.017 0.000 1.264 54 K CA 1.824 58.100 56.287 -0.019 0.000 0.832 54 K CB -2.886 29.599 32.500 -0.024 0.000 1.394 54 K HN 2.694 nan 8.250 nan 0.000 0.516 55 W N -0.056 121.236 121.300 -0.013 0.000 3.093 55 W HA 0.335 4.994 4.660 -0.001 0.000 0.308 55 W C 1.424 177.942 176.519 -0.001 0.000 1.297 55 W CA 1.607 58.948 57.345 -0.007 0.000 1.231 55 W CB -1.663 27.795 29.460 -0.004 0.000 1.111 55 W HN 1.759 nan 8.180 nan 0.000 0.632 56 K N 1.534 121.932 120.400 -0.002 0.000 2.171 56 K HA 0.302 4.621 4.320 -0.001 0.000 0.274 56 K C 0.804 177.413 176.600 0.015 0.000 1.110 56 K CA 0.409 56.697 56.287 0.003 0.000 0.952 56 K CB -0.671 31.828 32.500 -0.002 0.000 1.309 56 K HN 0.722 nan 8.250 nan 0.000 0.414 57 E N 0.213 120.425 120.200 0.020 0.000 1.986 57 E HA -0.271 4.078 4.350 -0.001 0.000 0.229 57 E C 1.197 177.819 176.600 0.037 0.000 0.997 57 E CA 2.916 59.338 56.400 0.037 0.000 0.894 57 E CB -0.369 29.342 29.700 0.018 0.000 0.813 57 E HN 0.561 nan 8.360 nan 0.000 0.549 58 V N -0.480 119.438 119.914 0.007 0.000 0.588 58 V HA -0.477 3.643 4.120 -0.001 0.000 0.092 58 V C 1.842 177.918 176.094 -0.030 0.000 1.830 58 V CA 2.791 65.085 62.300 -0.010 0.000 3.401 58 V CB -1.200 30.621 31.823 -0.003 0.000 0.689 58 V HN 0.382 nan 8.190 nan 0.000 0.712 59 K N -0.034 120.356 120.400 -0.016 0.000 2.031 59 K HA -0.111 4.209 4.320 -0.001 0.000 0.205 59 K C 2.252 178.747 176.600 -0.175 0.000 1.049 59 K CA 1.373 57.606 56.287 -0.090 0.000 0.939 59 K CB -0.204 32.267 32.500 -0.048 0.000 0.717 59 K HN 0.462 nan 8.250 nan 0.000 0.438 60 R N 0.776 121.201 120.500 -0.125 0.000 2.185 60 R HA -0.180 4.160 4.340 -0.001 0.000 0.247 60 R C 1.482 177.717 176.300 -0.109 0.000 1.159 60 R CA 1.927 57.946 56.100 -0.135 0.000 0.988 60 R CB -0.258 30.033 30.300 -0.016 0.000 0.871 60 R HN 0.326 nan 8.270 nan 0.000 0.458 61 A N -0.179 122.591 122.820 -0.084 0.000 1.920 61 A HA 0.288 4.607 4.320 -0.001 0.000 0.209 61 A C 2.282 179.808 177.584 -0.096 0.000 1.229 61 A CA 0.775 52.770 52.037 -0.071 0.000 0.671 61 A CB -0.629 18.342 19.000 -0.048 0.000 0.886 61 A HN 0.349 nan 8.150 nan 0.000 0.461 62 A N -0.026 122.731 122.820 -0.105 0.000 2.104 62 A HA -0.161 4.158 4.320 -0.001 0.000 0.223 62 A C 2.015 179.498 177.584 -0.168 0.000 1.164 62 A CA 1.865 53.826 52.037 -0.127 0.000 0.659 62 A CB -0.595 18.336 19.000 -0.116 0.000 0.808 62 A HN 0.495 nan 8.150 nan 0.000 0.465 63 L N -0.984 120.136 121.223 -0.173 0.000 2.262 63 L HA -0.052 4.288 4.340 -0.001 0.000 0.197 63 L C 2.881 179.659 176.870 -0.153 0.000 1.073 63 L CA 1.035 55.756 54.840 -0.199 0.000 0.800 63 L CB -0.830 41.120 42.059 -0.182 0.000 0.987 63 L HN 0.517 nan 8.230 nan 0.000 0.470 64 S N -0.320 115.319 115.700 -0.101 0.000 2.428 64 S HA -0.250 4.220 4.470 -0.001 0.000 0.240 64 S C 0.940 175.518 174.600 -0.036 0.000 1.036 64 S CA 0.946 59.117 58.200 -0.048 0.000 1.009 64 S CB -0.604 62.577 63.200 -0.031 0.000 0.803 64 S HN 0.533 nan 8.310 nan 0.000 0.486 68 E N 0.297 120.551 120.200 0.090 0.000 2.339 68 E HA -0.290 4.059 4.350 -0.001 0.000 0.201 68 E C 1.681 178.401 176.600 0.201 0.000 1.015 68 E CA 2.131 58.630 56.400 0.165 0.000 0.841 68 E CB -0.143 29.718 29.700 0.269 0.000 0.754 68 E HN 0.771 nan 8.360 nan 0.000 0.508 69 Y N 0.600 120.919 120.300 0.032 0.000 2.243 69 Y HA -0.020 4.529 4.550 -0.001 0.000 0.293 69 Y C 1.735 177.658 175.900 0.038 0.000 1.124 69 Y CA 1.173 59.289 58.100 0.027 0.000 1.159 69 Y CB 0.243 38.691 38.460 -0.019 0.000 1.008 69 Y HN -0.085 nan 8.280 nan 0.000 0.527 70 I N -1.017 119.550 120.570 -0.005 0.000 3.860 70 I HA -0.014 4.155 4.170 -0.001 0.000 0.319 70 I C 1.498 177.585 176.117 -0.049 0.000 1.279 70 I CA 0.572 61.813 61.300 -0.099 0.000 1.220 70 I CB -0.118 37.856 38.000 -0.043 0.000 1.027 70 I HN 0.116 nan 8.210 nan 0.000 0.428 71 T N -1.201 113.334 114.554 -0.033 0.000 2.914 71 T HA 0.040 4.389 4.350 -0.001 0.000 0.240 71 T C 1.137 175.796 174.700 -0.067 0.000 1.025 71 T CA 0.566 62.621 62.100 -0.076 0.000 1.198 71 T CB -0.268 68.502 68.868 -0.164 0.000 0.892 71 T HN 0.177 nan 8.240 nan 0.000 0.417 72 H N 3.475 122.547 119.070 0.004 0.000 5.111 72 H HA 0.083 4.638 4.556 -0.001 0.000 0.153 72 H C 0.746 176.063 175.328 -0.019 0.000 0.964 72 H CA -0.112 55.936 56.048 -0.001 0.000 1.334 72 H CB -1.363 28.404 29.762 0.008 0.000 1.518 72 H HN 0.322 nan 8.280 nan 0.000 0.947 73 N N 0.480 119.221 118.700 0.067 0.000 2.629 73 N HA -0.264 4.476 4.740 -0.001 0.000 0.246 73 N C 1.099 176.603 175.510 -0.009 0.000 1.176 73 N CA 0.548 53.614 53.050 0.027 0.000 0.809 73 N CB -0.354 38.153 38.487 0.034 0.000 1.175 73 N HN 0.448 nan 8.380 nan 0.000 0.577 74 R N 0.645 121.127 120.500 -0.029 0.000 2.369 74 R HA 0.120 4.459 4.340 -0.001 0.000 0.200 74 R C 0.244 176.421 176.300 -0.205 0.000 1.046 74 R CA 0.420 56.464 56.100 -0.093 0.000 1.057 74 R CB -0.374 29.871 30.300 -0.091 0.000 0.888 74 R HN 0.360 nan 8.270 nan 0.000 0.474 75 N N -1.775 116.837 118.700 -0.148 0.000 2.859 75 N HA 0.139 4.878 4.740 -0.001 0.000 0.250 75 N C -0.439 175.061 175.510 -0.018 0.000 1.341 75 N CA -0.325 52.652 53.050 -0.122 0.000 0.881 75 N CB 2.343 40.696 38.487 -0.224 0.000 1.516 75 N HN -0.283 nan 8.380 nan 0.000 0.503 76 V N 0.672 120.571 119.914 -0.025 0.000 3.968 76 V HA 0.300 4.419 4.120 -0.001 0.000 0.298 76 V C -0.445 175.553 176.094 -0.160 0.000 1.699 76 V CA 0.129 62.379 62.300 -0.082 0.000 1.282 76 V CB 0.643 32.421 31.823 -0.076 0.000 0.994 76 V HN 0.605 nan 8.190 nan 0.000 0.402 77 I N 0.577 121.102 120.570 -0.076 0.000 2.917 77 I HA 0.307 4.477 4.170 -0.001 0.000 0.292 77 I C -0.192 175.950 176.117 0.041 0.000 1.510 77 I CA 0.332 61.591 61.300 -0.068 0.000 0.858 77 I CB 1.418 39.392 38.000 -0.044 0.000 1.862 77 I HN -0.040 nan 8.210 nan 0.000 0.615 78 T N 1.087 115.729 114.554 0.146 0.000 3.532 78 T HA 0.135 4.485 4.350 -0.001 0.000 0.241 78 T C 0.878 175.730 174.700 0.254 0.000 1.238 78 T CA -0.307 61.946 62.100 0.254 0.000 1.405 78 T CB -0.032 69.019 68.868 0.306 0.000 0.971 78 T HN 0.609 nan 8.240 nan 0.000 0.640 79 E N 0.689 120.965 120.200 0.127 0.000 2.476 79 E HA 0.152 4.502 4.350 -0.001 0.000 0.196 79 E C -1.862 174.758 176.600 0.033 0.000 1.029 79 E CA -0.933 55.506 56.400 0.066 0.000 0.896 79 E CB -0.604 29.097 29.700 0.002 0.000 1.012 79 E HN 0.276 nan 8.360 nan 0.000 0.475 80 P HA -0.083 nan 4.420 nan 0.000 0.257 80 P C 0.298 177.720 177.300 0.204 0.000 1.162 80 P CA 0.522 63.746 63.100 0.206 0.000 0.762 80 P CB 0.380 32.292 31.700 0.353 0.000 0.753 81 I N 5.175 125.852 120.570 0.178 0.000 3.197 81 I HA -0.160 4.009 4.170 -0.001 0.000 0.293 81 I C 0.260 176.585 176.117 0.348 0.000 1.227 81 I CA 0.894 62.320 61.300 0.211 0.000 1.369 81 I CB -1.403 36.710 38.000 0.189 0.000 1.441 81 I HN 0.433 nan 8.210 nan 0.000 0.539 82 Y N 6.993 127.436 120.300 0.238 0.000 2.357 82 Y HA 0.423 4.973 4.550 -0.001 0.000 0.319 82 Y C -2.876 173.162 175.900 0.231 0.000 1.225 82 Y CA -2.198 56.014 58.100 0.187 0.000 1.095 82 Y CB 0.881 39.411 38.460 0.116 0.000 1.302 82 Y HN 0.221 nan 8.280 nan 0.000 0.429 83 P HA 0.134 nan 4.420 nan 0.000 0.274 83 P C 0.234 177.684 177.300 0.249 0.000 1.352 83 P CA 0.201 63.437 63.100 0.228 0.000 0.947 83 P CB 0.694 32.247 31.700 -0.245 0.000 1.437 84 E N 0.413 120.802 120.200 0.316 0.000 2.448 84 E HA -0.073 4.277 4.350 -0.001 0.000 0.203 84 E C 1.574 178.362 176.600 0.314 0.000 1.046 84 E CA 0.723 57.263 56.400 0.235 0.000 0.871 84 E CB -0.174 29.579 29.700 0.087 0.000 0.790 84 E HN 0.223 nan 8.360 nan 0.000 0.545 85 V N -0.198 119.972 119.914 0.427 0.000 2.326 85 V HA -0.165 3.955 4.120 -0.001 0.000 0.238 85 V C 2.420 178.656 176.094 0.237 0.000 1.038 85 V CA 0.800 63.377 62.300 0.462 0.000 1.032 85 V CB -0.627 31.618 31.823 0.704 0.000 0.675 85 V HN 0.025 nan 8.190 nan 0.000 0.467 86 V N 0.314 120.317 119.914 0.149 0.000 2.220 86 V HA -0.319 3.800 4.120 -0.001 0.000 0.250 86 V C 1.806 177.892 176.094 -0.013 0.000 1.053 86 V CA 2.369 64.596 62.300 -0.121 0.000 1.019 86 V CB -0.899 30.836 31.823 -0.147 0.000 0.646 86 V HN 0.810 nan 8.190 nan 0.000 0.455 90 A N 0.725 123.217 122.820 -0.547 0.000 2.276 90 A HA 0.300 4.620 4.320 -0.001 0.000 0.205 90 A C 0.780 178.055 177.584 -0.515 0.000 1.234 90 A CA 1.642 53.131 52.037 -0.914 0.000 0.797 90 A CB -0.905 17.901 19.000 -0.324 0.000 0.769 90 A HN 0.322 nan 8.150 nan 0.000 0.491 91 V N -0.963 118.672 119.914 -0.465 0.000 3.382 91 V HA 0.149 4.269 4.120 -0.001 0.000 0.296 91 V C 0.399 176.326 176.094 -0.279 0.000 1.529 91 V CA -0.246 61.872 62.300 -0.303 0.000 1.048 91 V CB -0.282 31.328 31.823 -0.355 0.000 0.878 91 V HN 0.518 nan 8.190 nan 0.000 0.442 95 R N -0.502 120.052 120.500 0.090 0.000 2.710 95 R HA 0.603 4.942 4.340 -0.001 0.000 0.270 95 R C -1.329 174.975 176.300 0.006 0.000 1.021 95 R CA -1.180 54.938 56.100 0.030 0.000 0.889 95 R CB 0.944 31.249 30.300 0.008 0.000 1.243 95 R HN 0.182 nan 8.270 nan 0.000 0.464 96 T N 1.954 116.504 114.554 -0.006 0.000 2.752 96 T HA 0.311 4.660 4.350 -0.001 0.000 0.295 96 T C 0.334 175.027 174.700 -0.013 0.000 0.923 96 T CA -0.680 61.409 62.100 -0.018 0.000 1.112 96 T CB 0.050 68.907 68.868 -0.019 0.000 0.884 96 T HN 0.223 nan 8.240 nan 0.000 0.525 97 L N 5.675 126.889 121.223 -0.015 0.000 2.506 97 L HA 0.213 4.553 4.340 -0.001 0.000 0.281 97 L C -1.062 175.803 176.870 -0.009 0.000 1.228 97 L CA -0.822 54.013 54.840 -0.008 0.000 0.850 97 L CB -0.681 41.373 42.059 -0.009 0.000 1.110 97 L HN 0.507 nan 8.230 nan 0.000 0.496 98 P HA 0.211 nan 4.420 nan 0.000 0.274 98 P C -2.553 174.742 177.300 -0.007 0.000 1.246 98 P CA -1.200 61.895 63.100 -0.008 0.000 0.795 98 P CB -0.325 31.370 31.700 -0.009 0.000 1.006 99 P HA 0.020 nan 4.420 nan 0.000 0.265 99 P C 0.059 177.350 177.300 -0.015 0.000 1.187 99 P CA 0.175 63.268 63.100 -0.012 0.000 0.766 99 P CB 0.178 31.867 31.700 -0.017 0.000 0.820 100 S N 1.415 117.107 115.700 -0.013 0.000 2.554 100 S HA 0.026 4.496 4.470 -0.001 0.000 0.290 100 S C 1.381 175.948 174.600 -0.054 0.000 1.309 100 S CA 0.276 58.459 58.200 -0.028 0.000 1.047 100 S CB 0.001 63.160 63.200 -0.069 0.000 0.828 100 S HN 0.600 nan 8.310 nan 0.000 0.509 101 S N 1.252 116.918 115.700 -0.058 0.000 2.526 101 S HA 0.170 4.640 4.470 -0.001 0.000 0.220 101 S C 0.232 174.773 174.600 -0.099 0.000 1.017 101 S CA -0.515 57.646 58.200 -0.065 0.000 0.930 101 S CB 0.063 63.236 63.200 -0.045 0.000 0.856 101 S HN 0.576 nan 8.310 nan 0.000 0.497 102 N N 3.352 121.975 118.700 -0.128 0.000 2.487 102 N HA 0.435 5.174 4.740 -0.001 0.000 0.292 102 N C -2.396 172.934 175.510 -0.301 0.000 1.108 102 N CA -1.258 51.676 53.050 -0.194 0.000 0.956 102 N CB 0.423 38.816 38.487 -0.158 0.000 1.176 102 N HN 0.175 nan 8.380 nan 0.000 0.484 103 P HA -0.070 nan 4.420 nan 0.000 0.273 103 P C 0.938 177.941 177.300 -0.495 0.000 1.252 103 P CA 0.079 62.773 63.100 -0.677 0.000 0.809 103 P CB 0.132 30.829 31.700 -1.672 0.000 1.017 104 T N -2.514 111.834 114.554 -0.343 0.000 2.452 104 T HA -0.076 4.274 4.350 -0.001 0.000 0.251 104 T C 1.467 176.105 174.700 -0.103 0.000 1.232 104 T CA 1.893 63.911 62.100 -0.137 0.000 1.226 104 T CB -1.409 67.468 68.868 0.014 0.000 0.864 104 T HN 0.776 nan 8.240 nan 0.000 0.399 105 G N -0.573 108.276 108.800 0.081 0.000 3.658 105 G HA2 0.308 4.267 3.960 -0.001 0.000 0.220 105 G HA3 0.308 4.267 3.960 -0.001 0.000 0.220 105 G C 1.077 176.103 174.900 0.211 0.000 0.917 105 G CA 0.500 45.688 45.100 0.148 0.000 0.865 105 G HN 0.880 nan 8.290 nan 0.000 0.652 106 A N 1.538 124.482 122.820 0.206 0.000 1.840 106 A HA 0.170 4.490 4.320 -0.001 0.000 0.214 106 A C 1.905 179.528 177.584 0.065 0.000 1.198 106 A CA 2.010 54.114 52.037 0.112 0.000 0.608 106 A CB -0.368 18.677 19.000 0.075 0.000 0.839 106 A HN 0.527 nan 8.150 nan 0.000 0.443 107 E N -1.197 119.005 120.200 0.004 0.000 2.489 107 E HA 0.136 4.486 4.350 -0.001 0.000 0.193 107 E C -0.889 175.482 176.600 -0.382 0.000 1.057 107 E CA -0.211 56.050 56.400 -0.231 0.000 0.866 107 E CB -0.092 29.381 29.700 -0.379 0.000 0.916 107 E HN 0.517 nan 8.360 nan 0.000 0.500 108 F N 1.465 121.414 119.950 -0.002 0.000 2.480 108 F HA 0.360 4.887 4.527 -0.001 0.000 0.329 108 F C 0.009 175.818 175.800 0.015 0.000 1.091 108 F CA -1.428 56.573 58.000 0.002 0.000 0.972 108 F CB 1.558 40.557 39.000 -0.002 0.000 1.150 108 F HN -0.244 nan 8.300 nan 0.000 0.467 109 D N 4.079 124.597 120.400 0.198 0.000 2.256 109 D HA 0.325 4.964 4.640 -0.001 0.000 0.240 109 D C -1.554 174.830 176.300 0.141 0.000 1.062 109 D CA -2.469 51.615 54.000 0.139 0.000 0.832 109 D CB 1.796 42.648 40.800 0.087 0.000 1.135 109 D HN 0.109 nan 8.370 nan 0.000 0.484 110 P HA -0.207 nan 4.420 nan 0.000 0.216 110 P C 0.851 178.205 177.300 0.089 0.000 1.150 110 P CA 1.000 64.167 63.100 0.112 0.000 0.843 110 P CB 0.432 32.213 31.700 0.134 0.000 0.787 111 E N 0.399 120.653 120.200 0.089 0.000 2.171 111 E HA -0.189 4.160 4.350 -0.001 0.000 0.197 111 E C 1.416 178.051 176.600 0.058 0.000 0.997 111 E CA 1.124 57.566 56.400 0.069 0.000 0.810 111 E CB -0.262 29.479 29.700 0.067 0.000 0.738 111 E HN 0.597 nan 8.360 nan 0.000 0.467 112 E N 0.980 121.221 120.200 0.068 0.000 2.437 112 E HA 0.030 4.380 4.350 -0.001 0.000 0.189 112 E C -0.356 176.281 176.600 0.061 0.000 1.054 112 E CA -0.184 56.254 56.400 0.064 0.000 0.874 112 E CB 0.250 29.995 29.700 0.076 0.000 1.011 112 E HN 0.072 nan 8.360 nan 0.000 0.474 113 D N 2.516 122.946 120.400 0.050 0.000 2.348 113 D HA 0.047 4.687 4.640 -0.001 0.000 0.253 113 D C -0.141 176.167 176.300 0.013 0.000 1.161 113 D CA 0.137 54.153 54.000 0.026 0.000 0.876 113 D CB 0.770 41.579 40.800 0.014 0.000 1.160 113 D HN 0.072 nan 8.370 nan 0.000 0.459 114 E N 3.290 123.493 120.200 0.005 0.000 2.406 114 E HA 0.066 4.416 4.350 -0.001 0.000 0.258 114 E C -1.820 174.772 176.600 -0.013 0.000 1.043 114 E CA -1.215 55.184 56.400 -0.001 0.000 0.929 114 E CB 0.319 30.018 29.700 -0.002 0.000 0.969 114 E HN 0.199 nan 8.360 nan 0.000 0.462 115 P HA -0.057 nan 4.420 nan 0.000 0.258 115 P C -0.639 176.636 177.300 -0.043 0.000 1.214 115 P CA 0.045 63.126 63.100 -0.032 0.000 0.872 115 P CB 0.258 31.935 31.700 -0.039 0.000 0.890 116 T N 5.376 119.905 114.554 -0.042 0.000 2.769 116 T HA 0.201 4.551 4.350 -0.001 0.000 0.293 116 T C 0.694 175.354 174.700 -0.067 0.000 0.931 116 T CA 0.015 62.088 62.100 -0.045 0.000 1.139 116 T CB -0.076 68.769 68.868 -0.037 0.000 0.881 116 T HN 0.234 nan 8.240 nan 0.000 0.532 117 L N 3.650 124.831 121.223 -0.070 0.000 2.326 117 L HA 0.393 4.733 4.340 -0.001 0.000 0.278 117 L C 0.716 177.541 176.870 -0.074 0.000 1.092 117 L CA -0.619 54.159 54.840 -0.103 0.000 0.810 117 L CB 0.877 42.880 42.059 -0.093 0.000 1.153 117 L HN 0.598 nan 8.230 nan 0.000 0.439 118 E N 2.650 122.792 120.200 -0.096 0.000 2.200 118 E HA 0.510 4.859 4.350 -0.001 0.000 0.283 118 E C -0.463 176.169 176.600 0.052 0.000 1.015 118 E CA -0.522 55.866 56.400 -0.021 0.000 0.819 118 E CB 1.375 31.070 29.700 -0.009 0.000 1.081 118 E HN 0.637 nan 8.360 nan 0.000 0.397 119 A N 3.784 126.639 122.820 0.059 0.000 2.280 119 A HA 0.575 4.894 4.320 -0.001 0.000 0.268 119 A C 0.927 178.581 177.584 0.117 0.000 1.111 119 A CA 0.191 52.282 52.037 0.089 0.000 0.814 119 A CB 0.015 19.040 19.000 0.040 0.000 1.093 119 A HN 1.607 nan 8.150 nan 0.000 0.498 120 A N -2.118 120.764 122.820 0.103 0.000 3.201 120 A HA -0.192 4.127 4.320 -0.001 0.000 0.260 120 A C 1.243 178.934 177.584 0.178 0.000 1.222 120 A CA 1.472 53.549 52.037 0.067 0.000 1.124 120 A CB -2.634 16.370 19.000 0.005 0.000 1.155 120 A HN 1.639 nan 8.150 nan 0.000 0.924 121 W N 1.507 122.812 121.300 0.008 0.000 2.380 121 W HA -0.096 4.564 4.660 -0.001 0.000 0.317 121 W C -0.747 175.787 176.519 0.025 0.000 1.196 121 W CA 2.094 59.442 57.345 0.005 0.000 1.307 121 W CB -0.742 28.720 29.460 0.004 0.000 1.157 121 W HN 0.428 nan 8.180 nan 0.000 0.483 122 P HA -0.215 nan 4.420 nan 0.000 0.223 122 P C 0.542 177.774 177.300 -0.113 0.000 1.140 122 P CA 1.887 64.920 63.100 -0.112 0.000 0.783 122 P CB -0.318 31.409 31.700 0.045 0.000 0.759 123 H N -0.705 118.248 119.070 -0.195 0.000 2.379 123 H HA 0.200 4.756 4.556 -0.001 0.000 0.308 123 H C 2.145 177.316 175.328 -0.262 0.000 1.047 123 H CA 0.793 56.737 56.048 -0.173 0.000 1.371 123 H CB -0.551 29.148 29.762 -0.106 0.000 1.449 123 H HN -0.101 nan 8.280 nan 0.000 0.564 124 L N 0.277 121.380 121.223 -0.200 0.000 2.056 124 L HA -0.164 4.176 4.340 -0.001 0.000 0.207 124 L C 2.451 178.935 176.870 -0.644 0.000 1.078 124 L CA 1.466 56.077 54.840 -0.382 0.000 0.749 124 L CB -0.594 41.298 42.059 -0.279 0.000 0.901 124 L HN 0.384 nan 8.230 nan 0.000 0.433 125 Q N 0.660 119.786 119.800 -1.124 0.000 2.340 125 Q HA -0.259 4.080 4.340 -0.001 0.000 0.215 125 Q C 2.016 177.702 176.000 -0.523 0.000 0.998 125 Q CA 1.872 56.891 55.803 -1.307 0.000 0.921 125 Q CB -0.105 27.833 28.738 -1.333 0.000 0.926 125 Q HN 0.575 nan 8.270 nan 0.000 0.426 126 L N -1.393 119.637 121.223 -0.322 0.000 2.200 126 L HA -0.021 4.318 4.340 -0.001 0.000 0.200 126 L C 2.260 179.175 176.870 0.076 0.000 1.072 126 L CA 0.269 55.065 54.840 -0.074 0.000 0.787 126 L CB -0.246 41.752 42.059 -0.101 0.000 0.957 126 L HN 0.032 nan 8.230 nan 0.000 0.459 127 V N -0.562 119.340 119.914 -0.021 0.000 2.546 127 V HA -0.342 3.777 4.120 -0.001 0.000 0.254 127 V C 2.074 178.343 176.094 0.291 0.000 1.076 127 V CA 1.995 64.370 62.300 0.125 0.000 1.087 127 V CB -0.915 30.854 31.823 -0.090 0.000 0.674 127 V HN 0.374 nan 8.190 nan 0.000 0.470 128 Y N 0.044 120.456 120.300 0.188 0.000 2.163 128 Y HA -0.141 4.409 4.550 -0.001 0.000 0.288 128 Y C 2.712 178.841 175.900 0.383 0.000 1.112 128 Y CA 1.215 59.514 58.100 0.331 0.000 1.104 128 Y CB -0.074 38.392 38.460 0.010 0.000 1.016 128 Y HN 0.165 nan 8.280 nan 0.000 0.497 129 E N 0.536 121.067 120.200 0.550 0.000 2.068 129 E HA -0.316 4.034 4.350 -0.001 0.000 0.207 129 E C 1.909 178.712 176.600 0.339 0.000 1.032 129 E CA 2.203 58.866 56.400 0.439 0.000 0.839 129 E CB -0.553 29.331 29.700 0.307 0.000 0.758 129 E HN 0.354 nan 8.360 nan 0.000 0.457 130 F N 0.587 120.653 119.950 0.194 0.000 2.025 130 F HA -0.228 4.299 4.527 -0.001 0.000 0.297 130 F C 1.961 177.912 175.800 0.253 0.000 1.132 130 F CA 1.757 59.862 58.000 0.175 0.000 1.191 130 F CB -1.224 37.867 39.000 0.151 0.000 0.963 130 F HN 0.205 nan 8.300 nan 0.000 0.481 131 F N 0.459 120.171 119.950 -0.395 0.000 2.605 131 F HA -0.093 4.434 4.527 -0.001 0.000 0.296 131 F C 1.749 177.398 175.800 -0.252 0.000 1.146 131 F CA 0.860 58.547 58.000 -0.522 0.000 1.478 131 F CB -0.474 38.226 39.000 -0.500 0.000 1.107 131 F HN 0.193 nan 8.300 nan 0.000 0.600 132 L N -0.266 120.866 121.223 -0.152 0.000 2.265 132 L HA 0.108 4.447 4.340 -0.001 0.000 0.195 132 L C 1.883 178.657 176.870 -0.159 0.000 1.083 132 L CA 0.315 55.042 54.840 -0.188 0.000 0.798 132 L CB -0.248 41.819 42.059 0.014 0.000 0.989 132 L HN -0.241 nan 8.230 nan 0.000 0.472 133 R N -0.107 120.377 120.500 -0.026 0.000 2.858 133 R HA -0.038 4.302 4.340 -0.001 0.000 0.228 133 R C 0.596 176.893 176.300 -0.005 0.000 1.471 133 R CA 0.239 56.338 56.100 -0.001 0.000 1.342 133 R CB -0.374 29.965 30.300 0.064 0.000 1.152 133 R HN 0.420 nan 8.270 nan 0.000 0.521 134 F N -0.656 119.095 119.950 -0.332 0.000 2.393 134 F HA 0.056 4.583 4.527 -0.001 0.000 0.205 134 F C 1.264 176.815 175.800 -0.415 0.000 1.104 134 F CA -0.605 57.137 58.000 -0.429 0.000 1.070 134 F CB 0.112 38.763 39.000 -0.582 0.000 1.368 134 F HN -0.122 nan 8.300 nan 0.000 0.607 135 L N 2.419 123.622 121.223 -0.034 0.000 2.834 135 L HA -0.090 4.250 4.340 -0.001 0.000 0.252 135 L C 1.710 178.535 176.870 -0.075 0.000 1.152 135 L CA 1.388 56.172 54.840 -0.094 0.000 0.898 135 L CB -1.878 39.948 42.059 -0.389 0.000 1.078 135 L HN 0.610 nan 8.230 nan 0.000 0.439 136 E N -2.166 117.986 120.200 -0.079 0.000 2.340 136 E HA 0.011 4.360 4.350 -0.001 0.000 0.194 136 E C 0.685 177.296 176.600 0.020 0.000 0.996 136 E CA -0.075 56.290 56.400 -0.059 0.000 0.869 136 E CB 0.108 29.756 29.700 -0.087 0.000 0.835 136 E HN 0.265 nan 8.360 nan 0.000 0.493 137 S N 3.388 119.131 115.700 0.071 0.000 2.565 137 S HA 0.201 4.671 4.470 -0.001 0.000 0.276 137 S C -2.081 172.799 174.600 0.466 0.000 1.326 137 S CA -1.124 57.214 58.200 0.231 0.000 1.045 137 S CB 0.939 64.241 63.200 0.170 0.000 0.918 137 S HN 0.242 nan 8.310 nan 0.000 0.505 138 P HA 0.082 nan 4.420 nan 0.000 0.272 138 P C 0.044 177.247 177.300 -0.162 0.000 1.240 138 P CA 0.090 63.238 63.100 0.080 0.000 0.791 138 P CB 0.372 32.075 31.700 0.005 0.000 0.978 139 D N -1.619 118.637 120.400 -0.240 0.000 2.946 139 D HA -0.178 4.462 4.640 -0.001 0.000 0.202 139 D C -0.670 175.316 176.300 -0.524 0.000 1.068 139 D CA 1.104 54.852 54.000 -0.420 0.000 1.011 139 D CB -1.216 39.254 40.800 -0.551 0.000 1.105 139 D HN 0.363 nan 8.370 nan 0.000 0.425 140 F N 2.425 122.364 119.950 -0.019 0.000 2.359 140 F HA 0.271 4.797 4.527 -0.001 0.000 0.355 140 F C 1.362 177.158 175.800 -0.007 0.000 1.132 140 F CA -0.536 57.470 58.000 0.009 0.000 1.246 140 F CB 0.445 39.486 39.000 0.069 0.000 1.569 140 F HN -0.236 nan 8.300 nan 0.000 0.561 141 Q N 4.146 123.978 119.800 0.053 0.000 2.593 141 Q HA -0.110 4.229 4.340 -0.001 0.000 0.285 141 Q C -1.325 174.645 176.000 -0.050 0.000 1.185 141 Q CA -0.556 55.235 55.803 -0.020 0.000 1.012 141 Q CB 0.257 28.971 28.738 -0.039 0.000 1.322 141 Q HN 0.299 nan 8.270 nan 0.000 0.500 142 P HA 0.015 nan 4.420 nan 0.000 0.261 142 P C -0.149 177.049 177.300 -0.168 0.000 1.268 142 P CA 0.729 63.630 63.100 -0.332 0.000 0.833 142 P CB 0.507 31.928 31.700 -0.465 0.000 1.231 143 N N -0.105 118.541 118.700 -0.090 0.000 2.203 143 N HA 0.210 4.950 4.740 -0.001 0.000 0.207 143 N C 1.229 176.698 175.510 -0.069 0.000 1.130 143 N CA -0.017 52.991 53.050 -0.070 0.000 0.861 143 N CB 0.601 39.046 38.487 -0.071 0.000 1.005 143 N HN 0.248 nan 8.380 nan 0.000 0.507 144 I N 0.184 120.751 120.570 -0.005 0.000 3.812 144 I HA 0.107 4.276 4.170 -0.001 0.000 0.320 144 I C 1.465 177.636 176.117 0.090 0.000 1.276 144 I CA 0.168 61.501 61.300 0.055 0.000 1.164 144 I CB 0.226 38.315 38.000 0.149 0.000 1.009 144 I HN 0.021 nan 8.210 nan 0.000 0.431 145 A N 0.279 123.122 122.820 0.038 0.000 1.690 145 A HA 0.049 4.368 4.320 -0.001 0.000 0.213 145 A C 1.936 179.568 177.584 0.079 0.000 1.785 145 A CA 0.215 52.319 52.037 0.112 0.000 1.230 145 A CB -0.166 18.993 19.000 0.264 0.000 1.175 145 A HN 0.105 nan 8.150 nan 0.000 0.468 146 K N 0.276 120.784 120.400 0.181 0.000 2.495 146 K HA -0.341 3.978 4.320 -0.001 0.000 0.209 146 K C 0.853 177.488 176.600 0.058 0.000 0.969 146 K CA 2.497 58.888 56.287 0.173 0.000 0.901 146 K CB -0.293 32.236 32.500 0.048 0.000 1.111 146 K HN 0.447 nan 8.250 nan 0.000 0.506 147 K N -1.539 118.809 120.400 -0.087 0.000 2.438 147 K HA 0.128 4.448 4.320 -0.001 0.000 0.205 147 K C 0.422 177.099 176.600 0.129 0.000 1.033 147 K CA -0.137 56.127 56.287 -0.038 0.000 1.089 147 K CB 0.547 33.001 32.500 -0.077 0.000 0.857 147 K HN 0.316 nan 8.250 nan 0.000 0.522 148 Y N -0.479 119.839 120.300 0.030 0.000 2.453 148 Y HA 0.322 4.872 4.550 -0.001 0.000 0.247 148 Y C 0.573 176.405 175.900 -0.114 0.000 1.124 148 Y CA -0.381 57.715 58.100 -0.006 0.000 1.243 148 Y CB 1.255 39.726 38.460 0.018 0.000 1.213 148 Y HN -0.105 nan 8.280 nan 0.000 0.523 149 I N 1.398 121.982 120.570 0.022 0.000 2.750 149 I HA 0.132 4.302 4.170 -0.001 0.000 0.279 149 I C -1.011 175.108 176.117 0.004 0.000 1.206 149 I CA -0.296 60.918 61.300 -0.143 0.000 1.101 149 I CB 0.547 38.369 38.000 -0.297 0.000 1.431 149 I HN 0.059 nan 8.210 nan 0.000 0.551 150 D N 1.755 122.225 120.400 0.116 0.000 2.387 150 D HA 0.213 4.852 4.640 -0.001 0.000 0.255 150 D C 1.255 177.628 176.300 0.121 0.000 1.081 150 D CA -0.160 53.894 54.000 0.090 0.000 0.994 150 D CB 1.261 42.112 40.800 0.086 0.000 1.127 150 D HN 0.312 nan 8.370 nan 0.000 0.513 151 Q N 0.805 120.589 119.800 -0.028 0.000 2.065 151 Q HA -0.350 3.989 4.340 -0.001 0.000 0.213 151 Q C 1.691 177.773 176.000 0.137 0.000 1.012 151 Q CA 1.828 57.562 55.803 -0.115 0.000 0.876 151 Q CB -0.345 27.931 28.738 -0.770 0.000 0.954 151 Q HN 0.517 nan 8.270 nan 0.000 0.413 152 K N 0.023 120.483 120.400 0.100 0.000 2.163 152 K HA -0.251 4.069 4.320 -0.001 0.000 0.210 152 K C 1.834 178.542 176.600 0.180 0.000 1.048 152 K CA 1.801 58.171 56.287 0.139 0.000 0.928 152 K CB -0.245 32.337 32.500 0.138 0.000 0.716 152 K HN 0.189 nan 8.250 nan 0.000 0.459 153 F N 0.215 120.253 119.950 0.147 0.000 2.234 153 F HA -0.082 4.444 4.527 -0.001 0.000 0.296 153 F C 1.775 177.711 175.800 0.227 0.000 1.089 153 F CA 0.699 58.856 58.000 0.263 0.000 1.343 153 F CB -0.010 39.150 39.000 0.267 0.000 1.040 153 F HN -0.207 nan 8.300 nan 0.000 0.498 154 V N 0.591 120.640 119.914 0.226 0.000 2.307 154 V HA -0.257 3.863 4.120 -0.001 0.000 0.245 154 V C 2.349 178.455 176.094 0.021 0.000 1.045 154 V CA 1.740 64.133 62.300 0.155 0.000 1.024 154 V CB -0.768 31.222 31.823 0.279 0.000 0.651 154 V HN 0.443 nan 8.190 nan 0.000 0.449 155 L N 0.251 121.515 121.223 0.068 0.000 1.994 155 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 155 L C 2.418 179.157 176.870 -0.219 0.000 1.071 155 L CA 1.978 56.793 54.840 -0.041 0.000 0.745 155 L CB -1.052 41.057 42.059 0.084 0.000 0.892 155 L HN 0.338 nan 8.230 nan 0.000 0.431 156 Q N -0.708 118.857 119.800 -0.392 0.000 2.096 156 Q HA -0.238 4.102 4.340 -0.001 0.000 0.204 156 Q C 2.287 177.790 176.000 -0.829 0.000 0.982 156 Q CA 1.941 57.269 55.803 -0.791 0.000 0.850 156 Q CB -0.512 27.364 28.738 -1.437 0.000 0.901 156 Q HN 0.552 nan 8.270 nan 0.000 0.422 157 L N 0.636 121.469 121.223 -0.650 0.000 2.046 157 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 157 L C 2.030 178.956 176.870 0.093 0.000 1.077 157 L CA 1.467 56.241 54.840 -0.110 0.000 0.747 157 L CB -0.411 41.669 42.059 0.035 0.000 0.896 157 L HN 0.169 nan 8.230 nan 0.000 0.432 158 L N -0.596 120.625 121.223 -0.004 0.000 2.046 158 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 158 L C 2.584 179.472 176.870 0.030 0.000 1.077 158 L CA 1.521 56.343 54.840 -0.029 0.000 0.747 158 L CB -0.487 41.426 42.059 -0.243 0.000 0.896 158 L HN 0.384 nan 8.230 nan 0.000 0.432 159 E N 0.043 120.203 120.200 -0.067 0.000 2.048 159 E HA -0.304 4.045 4.350 -0.001 0.000 0.202 159 E C 2.225 178.857 176.600 0.054 0.000 1.021 159 E CA 1.545 57.906 56.400 -0.066 0.000 0.825 159 E CB -0.396 29.226 29.700 -0.130 0.000 0.756 159 E HN 0.463 nan 8.360 nan 0.000 0.454 160 L N 0.311 121.590 121.223 0.092 0.000 2.230 160 L HA -0.214 4.125 4.340 -0.001 0.000 0.217 160 L C 1.385 178.372 176.870 0.195 0.000 1.090 160 L CA 0.609 55.536 54.840 0.145 0.000 0.771 160 L CB -0.575 41.603 42.059 0.198 0.000 0.892 160 L HN 0.096 nan 8.230 nan 0.000 0.438 161 F N 0.587 120.553 119.950 0.026 0.000 2.463 161 F HA -0.128 4.399 4.527 -0.000 0.000 0.381 161 F C 0.958 176.807 175.800 0.082 0.000 1.161 161 F CA 0.867 58.894 58.000 0.046 0.000 1.388 161 F CB -0.800 38.217 39.000 0.028 0.000 1.701 161 F HN 0.061 nan 8.300 nan 0.000 0.651 162 D N -2.439 118.050 120.400 0.148 0.000 2.525 162 D HA 0.111 4.750 4.640 -0.001 0.000 0.231 162 D C 1.515 177.838 176.300 0.039 0.000 1.216 162 D CA 0.326 54.378 54.000 0.087 0.000 0.813 162 D CB 0.715 41.517 40.800 0.003 0.000 1.108 162 D HN 0.180 nan 8.370 nan 0.000 0.524 163 S N -1.113 114.591 115.700 0.007 0.000 3.324 163 S HA -0.018 4.451 4.470 -0.001 0.000 0.229 163 S C -0.454 174.109 174.600 -0.062 0.000 1.043 163 S CA -0.291 57.900 58.200 -0.015 0.000 1.107 163 S CB -0.023 63.174 63.200 -0.005 0.000 1.057 163 S HN -0.053 nan 8.310 nan 0.000 0.418 164 E N 3.632 123.769 120.200 -0.104 0.000 2.406 164 E HA 0.083 4.433 4.350 -0.001 0.000 0.247 164 E C -0.570 175.896 176.600 -0.223 0.000 1.160 164 E CA 0.286 56.563 56.400 -0.205 0.000 0.950 164 E CB -0.399 29.096 29.700 -0.343 0.000 0.993 164 E HN 0.396 nan 8.360 nan 0.000 0.472 165 D N 5.499 125.800 120.400 -0.166 0.000 3.794 165 D HA -0.200 4.440 4.640 -0.001 0.000 0.141 165 D C -1.633 174.575 176.300 -0.153 0.000 0.967 165 D CA -0.160 53.761 54.000 -0.132 0.000 0.585 165 D CB 0.551 41.276 40.800 -0.126 0.000 1.063 165 D HN 0.285 nan 8.370 nan 0.000 0.520 166 P HA -0.401 nan 4.420 nan 0.000 0.233 166 P C 1.128 178.380 177.300 -0.080 0.000 0.738 166 P CA 2.988 66.043 63.100 -0.075 0.000 1.103 166 P CB -0.262 31.412 31.700 -0.043 0.000 0.675 167 R N -1.159 119.286 120.500 -0.091 0.000 2.386 167 R HA -0.324 4.016 4.340 -0.001 0.000 0.194 167 R C 2.120 178.402 176.300 -0.030 0.000 1.052 167 R CA 2.776 58.830 56.100 -0.076 0.000 0.564 167 R CB -1.693 28.208 30.300 -0.664 0.000 0.826 167 R HN 0.394 nan 8.270 nan 0.000 0.304 168 E N 0.169 120.158 120.200 -0.352 0.000 2.086 168 E HA -0.277 4.073 4.350 -0.001 0.000 0.205 168 E C 1.959 178.528 176.600 -0.053 0.000 1.027 168 E CA 2.241 58.616 56.400 -0.042 0.000 0.830 168 E CB -0.065 29.599 29.700 -0.060 0.000 0.751 168 E HN 0.310 nan 8.360 nan 0.000 0.456 169 R N -0.024 120.405 120.500 -0.118 0.000 2.092 169 R HA -0.124 4.215 4.340 -0.001 0.000 0.226 169 R C 2.272 178.447 176.300 -0.209 0.000 1.140 169 R CA 1.581 57.542 56.100 -0.231 0.000 0.910 169 R CB -0.831 29.362 30.300 -0.179 0.000 0.822 169 R HN 0.236 nan 8.270 nan 0.000 0.433 170 D N -0.288 120.058 120.400 -0.090 0.000 2.569 170 D HA -0.253 4.386 4.640 -0.001 0.000 0.191 170 D C 1.670 177.908 176.300 -0.102 0.000 1.042 170 D CA 2.152 56.112 54.000 -0.066 0.000 0.873 170 D CB -0.236 40.570 40.800 0.010 0.000 0.946 170 D HN 0.084 nan 8.370 nan 0.000 0.467 171 F N -0.083 119.724 119.950 -0.237 0.000 2.095 171 F HA -0.121 4.405 4.527 -0.001 0.000 0.298 171 F C 2.352 177.938 175.800 -0.357 0.000 1.104 171 F CA 0.843 58.642 58.000 -0.335 0.000 1.232 171 F CB -0.655 37.935 39.000 -0.684 0.000 0.987 171 F HN 0.037 nan 8.300 nan 0.000 0.475 172 L N -0.064 121.000 121.223 -0.265 0.000 2.042 172 L HA -0.265 4.074 4.340 -0.001 0.000 0.210 172 L C 2.513 179.193 176.870 -0.317 0.000 1.076 172 L CA 1.671 56.327 54.840 -0.307 0.000 0.749 172 L CB -0.792 40.899 42.059 -0.614 0.000 0.893 172 L HN 0.134 nan 8.230 nan 0.000 0.432 173 K N -0.146 120.026 120.400 -0.380 0.000 2.020 173 K HA -0.211 4.108 4.320 -0.001 0.000 0.212 173 K C 2.010 178.626 176.600 0.027 0.000 1.050 173 K CA 2.195 58.403 56.287 -0.132 0.000 0.929 173 K CB -0.198 32.233 32.500 -0.115 0.000 0.714 173 K HN 0.192 nan 8.250 nan 0.000 0.443 174 T N 0.535 115.071 114.554 -0.030 0.000 2.639 174 T HA -0.111 4.238 4.350 -0.001 0.000 0.261 174 T C 1.845 176.582 174.700 0.062 0.000 1.053 174 T CA 2.032 64.138 62.100 0.010 0.000 1.158 174 T CB -0.615 68.180 68.868 -0.122 0.000 0.863 174 T HN 0.410 nan 8.240 nan 0.000 0.413 175 T N 2.636 117.209 114.554 0.033 0.000 2.620 175 T HA -0.166 4.184 4.350 -0.001 0.000 0.267 175 T C 1.760 176.557 174.700 0.162 0.000 1.044 175 T CA 1.374 63.519 62.100 0.075 0.000 1.161 175 T CB -0.606 68.365 68.868 0.172 0.000 0.862 175 T HN 0.148 nan 8.240 nan 0.000 0.438 176 L N 0.142 121.503 121.223 0.229 0.000 2.551 176 L HA 0.086 4.426 4.340 -0.001 0.000 0.228 176 L C 1.923 178.969 176.870 0.293 0.000 1.153 176 L CA 1.419 56.428 54.840 0.281 0.000 0.851 176 L CB -0.553 41.734 42.059 0.381 0.000 0.959 176 L HN 0.443 nan 8.230 nan 0.000 0.451 177 H N -1.202 117.954 119.070 0.144 0.000 2.344 177 H HA 0.031 4.587 4.556 -0.001 0.000 0.307 177 H C 2.225 177.656 175.328 0.171 0.000 1.057 177 H CA 0.698 56.835 56.048 0.148 0.000 1.373 177 H CB 0.282 30.091 29.762 0.079 0.000 1.421 177 H HN 0.206 nan 8.280 nan 0.000 0.532 178 R N 0.390 121.000 120.500 0.184 0.000 2.081 178 R HA -0.087 4.253 4.340 -0.001 0.000 0.235 178 R C 2.442 178.856 176.300 0.190 0.000 1.131 178 R CA 1.461 57.600 56.100 0.066 0.000 0.960 178 R CB -0.094 30.181 30.300 -0.041 0.000 0.856 178 R HN 0.407 nan 8.270 nan 0.000 0.436 179 I N -0.142 120.560 120.570 0.219 0.000 2.264 179 I HA -0.327 3.843 4.170 -0.001 0.000 0.248 179 I C 2.267 178.614 176.117 0.384 0.000 1.111 179 I CA 1.337 62.795 61.300 0.263 0.000 1.382 179 I CB -0.338 37.751 38.000 0.149 0.000 1.060 179 I HN 0.189 nan 8.210 nan 0.000 0.418 180 Y N 1.678 122.113 120.300 0.226 0.000 2.242 180 Y HA -0.069 4.481 4.550 -0.001 0.000 0.291 180 Y C 2.102 178.142 175.900 0.234 0.000 1.137 180 Y CA 1.197 59.432 58.100 0.225 0.000 1.181 180 Y CB -0.507 38.069 38.460 0.194 0.000 0.989 180 Y HN 0.026 nan 8.280 nan 0.000 0.527 181 G N -0.048 108.858 108.800 0.177 0.000 3.562 181 G HA2 0.132 4.091 3.960 -0.001 0.000 0.279 181 G HA3 0.132 4.091 3.960 -0.001 0.000 0.279 181 G C 0.910 175.809 174.900 -0.002 0.000 1.314 181 G CA -0.181 44.919 45.100 -0.001 0.000 1.189 181 G HN 0.243 nan 8.290 nan 0.000 0.562 182 K N -0.418 120.029 120.400 0.078 0.000 2.620 182 K HA 0.132 4.451 4.320 -0.001 0.000 0.208 182 K C -0.698 175.718 176.600 -0.306 0.000 1.582 182 K CA 0.096 56.309 56.287 -0.123 0.000 1.083 182 K CB 0.898 33.293 32.500 -0.175 0.000 1.420 182 K HN 0.235 nan 8.250 nan 0.000 0.582 183 F N 2.269 122.206 119.950 -0.022 0.000 2.451 183 F HA 0.360 4.887 4.527 -0.001 0.000 0.367 183 F C 1.217 177.012 175.800 -0.007 0.000 1.100 183 F CA -0.774 57.225 58.000 -0.001 0.000 1.171 183 F CB 0.310 39.334 39.000 0.040 0.000 1.405 183 F HN -0.229 nan 8.300 nan 0.000 0.482 184 L N 1.349 122.626 121.223 0.090 0.000 2.450 184 L HA -0.172 4.167 4.340 -0.001 0.000 0.225 184 L C 2.249 179.185 176.870 0.110 0.000 1.145 184 L CA 1.330 56.201 54.840 0.052 0.000 0.801 184 L CB -0.583 41.484 42.059 0.013 0.000 0.924 184 L HN 0.823 nan 8.230 nan 0.000 0.447 185 G N -0.294 108.603 108.800 0.161 0.000 2.408 185 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.215 185 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.215 185 G C 1.270 176.270 174.900 0.167 0.000 1.156 185 G CA 0.061 45.249 45.100 0.147 0.000 0.793 185 G HN 0.161 nan 8.290 nan 0.000 0.535 186 L N 0.567 121.920 121.223 0.217 0.000 2.592 186 L HA 0.338 4.678 4.340 -0.001 0.000 0.227 186 L C 2.454 179.540 176.870 0.360 0.000 1.127 186 L CA 0.102 55.091 54.840 0.249 0.000 0.884 186 L CB -0.619 41.560 42.059 0.199 0.000 1.065 186 L HN 0.189 nan 8.230 nan 0.000 0.457 187 R N 0.164 120.867 120.500 0.338 0.000 2.073 187 R HA -0.125 4.214 4.340 -0.001 0.000 0.234 187 R C 2.259 178.826 176.300 0.446 0.000 1.134 187 R CA 1.420 57.831 56.100 0.518 0.000 0.952 187 R CB -0.332 30.119 30.300 0.253 0.000 0.850 187 R HN 0.339 nan 8.270 nan 0.000 0.433 188 A N 0.945 123.950 122.820 0.308 0.000 1.859 188 A HA -0.261 4.058 4.320 -0.001 0.000 0.217 188 A C 2.001 179.757 177.584 0.286 0.000 1.198 188 A CA 1.539 53.735 52.037 0.264 0.000 0.629 188 A CB -0.987 18.140 19.000 0.213 0.000 0.830 188 A HN 0.360 nan 8.150 nan 0.000 0.446 189 Y N -0.096 120.284 120.300 0.134 0.000 2.034 189 Y HA -0.217 4.332 4.550 -0.001 0.000 0.269 189 Y C 2.209 178.150 175.900 0.069 0.000 1.125 189 Y CA 1.839 59.995 58.100 0.093 0.000 1.097 189 Y CB -0.851 37.659 38.460 0.084 0.000 0.978 189 Y HN 0.248 nan 8.280 nan 0.000 0.480 190 I N 0.238 120.917 120.570 0.183 0.000 2.161 190 I HA -0.448 3.722 4.170 -0.001 0.000 0.246 190 I C 2.729 178.773 176.117 -0.121 0.000 1.048 190 I CA 2.093 63.383 61.300 -0.016 0.000 1.314 190 I CB -0.615 37.392 38.000 0.011 0.000 1.014 190 I HN 0.192 nan 8.210 nan 0.000 0.418 191 R N 0.299 120.788 120.500 -0.018 0.000 2.070 191 R HA -0.222 4.118 4.340 -0.001 0.000 0.232 191 R C 2.433 178.754 176.300 0.035 0.000 1.138 191 R CA 1.977 58.099 56.100 0.036 0.000 0.936 191 R CB -0.309 30.100 30.300 0.183 0.000 0.839 191 R HN 0.298 nan 8.270 nan 0.000 0.429 192 K N 0.154 120.582 120.400 0.046 0.000 2.044 192 K HA -0.229 4.091 4.320 -0.001 0.000 0.210 192 K C 2.023 178.542 176.600 -0.136 0.000 1.049 192 K CA 1.710 58.003 56.287 0.009 0.000 0.927 192 K CB 0.034 32.562 32.500 0.047 0.000 0.713 192 K HN 0.124 nan 8.250 nan 0.000 0.443 193 Q N 0.424 120.041 119.800 -0.305 0.000 2.224 193 Q HA -0.054 4.285 4.340 -0.001 0.000 0.203 193 Q C 2.058 177.839 176.000 -0.364 0.000 0.970 193 Q CA 0.988 56.551 55.803 -0.400 0.000 0.865 193 Q CB -0.024 28.338 28.738 -0.626 0.000 0.922 193 Q HN 0.501 nan 8.270 nan 0.000 0.445 194 I N 0.946 121.308 120.570 -0.347 0.000 2.676 194 I HA -0.204 3.965 4.170 -0.001 0.000 0.259 194 I C 1.448 177.203 176.117 -0.603 0.000 1.194 194 I CA 0.412 61.419 61.300 -0.489 0.000 1.473 194 I CB -0.088 37.688 38.000 -0.374 0.000 1.096 194 I HN 0.167 nan 8.210 nan 0.000 0.443 195 N N 1.041 119.525 118.700 -0.361 0.000 2.197 195 N HA -0.104 4.635 4.740 -0.001 0.000 0.184 195 N C 1.505 176.758 175.510 -0.429 0.000 1.030 195 N CA 0.967 53.765 53.050 -0.420 0.000 0.851 195 N CB -0.653 37.637 38.487 -0.327 0.000 1.003 195 N HN 0.184 nan 8.380 nan 0.000 0.430 196 N N 1.425 120.004 118.700 -0.202 0.000 2.242 196 N HA -0.131 4.608 4.740 -0.001 0.000 0.191 196 N C 1.660 177.121 175.510 -0.082 0.000 1.005 196 N CA 0.579 53.609 53.050 -0.033 0.000 0.877 196 N CB -0.252 38.205 38.487 -0.049 0.000 0.983 196 N HN 0.363 nan 8.380 nan 0.000 0.439 197 I N -0.914 119.499 120.570 -0.262 0.000 2.277 197 I HA -0.186 3.984 4.170 -0.001 0.000 0.243 197 I C 1.541 177.608 176.117 -0.083 0.000 1.094 197 I CA 0.721 61.885 61.300 -0.226 0.000 1.393 197 I CB -0.215 37.533 38.000 -0.421 0.000 1.078 197 I HN 0.072 nan 8.210 nan 0.000 0.417 198 F N 0.018 119.860 119.950 -0.179 0.000 2.171 198 F HA -0.282 4.244 4.527 -0.001 0.000 0.300 198 F C 2.402 178.146 175.800 -0.093 0.000 1.090 198 F CA 1.203 59.101 58.000 -0.170 0.000 1.293 198 F CB -0.484 38.290 39.000 -0.376 0.000 1.013 198 F HN 0.040 nan 8.300 nan 0.000 0.486 199 Y N -0.278 120.112 120.300 0.151 0.000 2.145 199 Y HA -0.252 4.298 4.550 0.000 0.000 0.286 199 Y C 2.655 178.606 175.900 0.085 0.000 1.145 199 Y CA 0.950 59.113 58.100 0.106 0.000 1.148 199 Y CB -0.392 38.165 38.460 0.161 0.000 0.981 199 Y HN -0.119 nan 8.280 nan 0.000 0.507 200 R N -0.035 120.619 120.500 0.256 0.000 2.096 200 R HA -0.218 4.122 4.340 -0.001 0.000 0.235 200 R C 2.065 178.451 176.300 0.143 0.000 1.127 200 R CA 1.653 57.853 56.100 0.167 0.000 0.968 200 R CB -0.512 29.853 30.300 0.107 0.000 0.861 200 R HN 0.361 nan 8.270 nan 0.000 0.440 201 F N 0.268 120.239 119.950 0.034 0.000 2.259 201 F HA 0.034 4.560 4.527 -0.001 0.000 0.298 201 F C 1.601 177.370 175.800 -0.051 0.000 1.088 201 F CA 1.007 59.011 58.000 0.008 0.000 1.358 201 F CB 0.058 39.077 39.000 0.031 0.000 1.040 201 F HN -0.027 nan 8.300 nan 0.000 0.505 202 I N -1.456 118.944 120.570 -0.284 0.000 2.494 202 I HA -0.223 3.946 4.170 -0.001 0.000 0.250 202 I C 1.551 177.346 176.117 -0.538 0.000 1.112 202 I CA 1.101 62.057 61.300 -0.574 0.000 1.438 202 I CB -0.219 37.384 38.000 -0.661 0.000 1.111 202 I HN 0.069 nan 8.210 nan 0.000 0.431 203 Y N 0.090 120.378 120.300 -0.019 0.000 2.500 203 Y HA 0.099 4.649 4.550 0.000 0.000 0.284 203 Y C 2.202 178.086 175.900 -0.027 0.000 1.118 203 Y CA -0.148 57.938 58.100 -0.022 0.000 1.241 203 Y CB 0.137 38.600 38.460 0.006 0.000 1.171 203 Y HN 0.025 nan 8.280 nan 0.000 0.540 204 E N 0.410 120.681 120.200 0.119 0.000 2.226 204 E HA 0.002 4.352 4.350 -0.001 0.000 0.238 204 E C 0.561 177.177 176.600 0.026 0.000 0.859 204 E CA 0.769 57.212 56.400 0.073 0.000 1.114 204 E CB -0.530 29.217 29.700 0.078 0.000 1.184 204 E HN 0.139 nan 8.360 nan 0.000 0.517 205 T N -0.091 114.482 114.554 0.032 0.000 2.897 205 T HA 0.190 4.540 4.350 -0.001 0.000 0.294 205 T C 0.194 174.879 174.700 -0.025 0.000 1.004 205 T CA -0.494 61.630 62.100 0.040 0.000 1.106 205 T CB 1.245 70.172 68.868 0.100 0.000 0.949 205 T HN 0.084 nan 8.240 nan 0.000 0.520 206 E N 1.416 121.591 120.200 -0.043 0.000 2.434 206 E HA 0.144 4.494 4.350 -0.001 0.000 0.243 206 E C -0.611 176.032 176.600 0.072 0.000 1.250 206 E CA -0.327 55.929 56.400 -0.241 0.000 1.568 206 E CB -0.039 29.533 29.700 -0.214 0.000 1.435 206 E HN 0.772 nan 8.360 nan 0.000 0.432 207 H N -0.025 119.169 119.070 0.205 0.000 2.856 207 H HA 0.441 4.996 4.556 -0.001 0.000 0.355 207 H C -1.565 174.015 175.328 0.420 0.000 1.079 207 H CA -0.497 55.756 56.048 0.343 0.000 1.240 207 H CB 1.032 30.881 29.762 0.144 0.000 1.701 207 H HN 0.211 nan 8.280 nan 0.000 0.527 208 H N 3.150 122.013 119.070 -0.346 0.000 2.961 208 H HA 0.174 4.730 4.556 -0.001 0.000 0.278 208 H C -0.526 174.565 175.328 -0.395 0.000 1.338 208 H CA -0.528 55.191 56.048 -0.550 0.000 1.373 208 H CB 1.111 30.619 29.762 -0.423 0.000 1.915 208 H HN 0.748 nan 8.280 nan 0.000 0.500 209 N N 1.521 120.313 118.700 0.153 0.000 2.499 209 N HA -0.002 4.737 4.740 -0.001 0.000 0.182 209 N C 1.662 177.045 175.510 -0.212 0.000 1.034 209 N CA 0.648 53.672 53.050 -0.043 0.000 0.882 209 N CB 0.503 39.026 38.487 0.059 0.000 1.125 209 N HN 0.562 nan 8.380 nan 0.000 0.436 210 G N 1.219 109.864 108.800 -0.258 0.000 2.916 210 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.205 210 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.205 210 G C 1.285 175.946 174.900 -0.398 0.000 1.163 210 G CA -0.025 44.962 45.100 -0.188 0.000 0.821 210 G HN 0.059 nan 8.290 nan 0.000 0.515 211 I N 1.670 121.837 120.570 -0.672 0.000 2.226 211 I HA -0.113 4.057 4.170 -0.001 0.000 0.245 211 I C 3.037 179.005 176.117 -0.249 0.000 1.100 211 I CA 1.046 62.008 61.300 -0.563 0.000 1.374 211 I CB -0.529 36.810 38.000 -1.101 0.000 1.057 211 I HN 0.224 nan 8.210 nan 0.000 0.413 212 A N -0.156 122.541 122.820 -0.205 0.000 1.865 212 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 212 A C 2.227 179.803 177.584 -0.014 0.000 1.191 212 A CA 1.862 53.875 52.037 -0.041 0.000 0.623 212 A CB -0.736 18.249 19.000 -0.024 0.000 0.826 212 A HN 0.353 nan 8.150 nan 0.000 0.444 213 E N 0.065 120.260 120.200 -0.008 0.000 2.033 213 E HA -0.177 4.172 4.350 -0.001 0.000 0.199 213 E C 1.940 178.606 176.600 0.110 0.000 1.011 213 E CA 1.406 57.836 56.400 0.050 0.000 0.815 213 E CB -0.554 29.191 29.700 0.075 0.000 0.755 213 E HN 0.574 nan 8.360 nan 0.000 0.451 214 L N 0.199 121.502 121.223 0.134 0.000 2.051 214 L HA -0.241 4.099 4.340 -0.001 0.000 0.214 214 L C 2.411 179.331 176.870 0.083 0.000 1.076 214 L CA 1.055 55.920 54.840 0.041 0.000 0.758 214 L CB -0.472 41.472 42.059 -0.192 0.000 0.890 214 L HN 0.197 nan 8.230 nan 0.000 0.433 215 L N -0.658 120.633 121.223 0.113 0.000 2.191 215 L HA -0.218 4.122 4.340 -0.001 0.000 0.212 215 L C 2.528 179.430 176.870 0.053 0.000 1.103 215 L CA 1.314 56.222 54.840 0.113 0.000 0.769 215 L CB -0.500 41.608 42.059 0.081 0.000 0.908 215 L HN 0.415 nan 8.230 nan 0.000 0.438 216 E N 0.215 120.419 120.200 0.006 0.000 2.072 216 E HA -0.191 4.159 4.350 -0.001 0.000 0.191 216 E C 2.287 178.833 176.600 -0.089 0.000 0.985 216 E CA 0.948 57.315 56.400 -0.055 0.000 0.801 216 E CB -0.007 29.651 29.700 -0.071 0.000 0.750 216 E HN 0.473 nan 8.360 nan 0.000 0.452 217 I N 1.119 121.634 120.570 -0.091 0.000 2.264 217 I HA -0.271 3.899 4.170 -0.001 0.000 0.248 217 I C 2.080 178.072 176.117 -0.208 0.000 1.111 217 I CA 1.108 62.278 61.300 -0.217 0.000 1.382 217 I CB -0.149 37.769 38.000 -0.137 0.000 1.060 217 I HN 0.135 nan 8.210 nan 0.000 0.418 218 L N 0.234 121.411 121.223 -0.078 0.000 2.599 218 L HA 0.034 4.373 4.340 -0.001 0.000 0.230 218 L C 2.235 179.069 176.870 -0.059 0.000 1.141 218 L CA 0.211 55.020 54.840 -0.051 0.000 0.877 218 L CB -0.527 41.617 42.059 0.140 0.000 1.009 218 L HN 0.232 nan 8.230 nan 0.000 0.447 219 G N -0.660 108.131 108.800 -0.014 0.000 2.551 219 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.214 219 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.214 219 G C 1.560 176.449 174.900 -0.020 0.000 1.250 219 G CA 0.664 45.840 45.100 0.127 0.000 0.825 219 G HN 0.295 nan 8.290 nan 0.000 0.549 220 S N 1.093 116.760 115.700 -0.055 0.000 2.412 220 S HA -0.272 4.198 4.470 -0.001 0.000 0.246 220 S C 2.265 176.785 174.600 -0.134 0.000 1.073 220 S CA 1.805 59.970 58.200 -0.058 0.000 1.186 220 S CB -0.603 62.547 63.200 -0.084 0.000 1.084 220 S HN 0.395 nan 8.310 nan 0.000 0.434 221 I N 1.510 121.975 120.570 -0.176 0.000 2.068 221 I HA -0.279 3.891 4.170 -0.001 0.000 0.238 221 I C 2.248 177.897 176.117 -0.780 0.000 1.046 221 I CA 1.703 62.863 61.300 -0.234 0.000 1.306 221 I CB -0.801 37.095 38.000 -0.173 0.000 1.023 221 I HN 0.262 nan 8.210 nan 0.000 0.399 222 I N 0.515 120.469 120.570 -1.025 0.000 2.068 222 I HA -0.331 3.838 4.170 -0.001 0.000 0.238 222 I C 1.604 177.068 176.117 -1.089 0.000 1.046 222 I CA 1.286 61.606 61.300 -1.633 0.000 1.306 222 I CB -0.761 36.675 38.000 -0.940 0.000 1.023 222 I HN 0.353 nan 8.210 nan 0.000 0.399 223 N N 1.749 120.112 118.700 -0.562 0.000 2.484 223 N HA 0.010 4.750 4.740 -0.001 0.000 0.295 223 N C 0.241 175.603 175.510 -0.247 0.000 1.240 223 N CA 1.183 54.040 53.050 -0.322 0.000 1.085 223 N CB -0.147 38.245 38.487 -0.159 0.000 1.465 223 N HN 0.594 nan 8.380 nan 0.000 0.496 224 G N 2.282 110.935 108.800 -0.244 0.000 2.321 224 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.219 224 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.219 224 G C -0.224 174.673 174.900 -0.005 0.000 1.057 224 G CA -0.727 44.312 45.100 -0.101 0.000 0.849 224 G HN 0.423 nan 8.290 nan 0.000 0.520 225 F N 0.819 120.704 119.950 -0.109 0.000 2.291 225 F HA 0.616 5.143 4.527 -0.001 0.000 0.305 225 F C 1.412 177.206 175.800 -0.010 0.000 1.171 225 F CA -0.629 57.326 58.000 -0.074 0.000 1.090 225 F CB 0.915 39.818 39.000 -0.162 0.000 1.436 225 F HN 0.231 nan 8.300 nan 0.000 0.509 226 A N 1.513 124.477 122.820 0.241 0.000 2.491 226 A HA 0.174 4.494 4.320 -0.001 0.000 0.261 226 A C 0.980 178.618 177.584 0.090 0.000 1.101 226 A CA -0.320 51.784 52.037 0.111 0.000 0.772 226 A CB -0.193 18.837 19.000 0.050 0.000 1.043 226 A HN 0.856 nan 8.150 nan 0.000 0.501 227 L N 3.080 124.342 121.223 0.064 0.000 2.085 227 L HA -0.146 4.193 4.340 -0.001 0.000 0.218 227 L C -0.359 176.538 176.870 0.044 0.000 1.080 227 L CA 1.605 56.474 54.840 0.048 0.000 0.776 227 L CB -1.096 40.982 42.059 0.031 0.000 0.891 227 L HN 0.651 nan 8.230 nan 0.000 0.437 228 P HA 0.173 nan 4.420 nan 0.000 0.241 228 P C -0.193 177.124 177.300 0.029 0.000 1.783 228 P CA -0.238 62.880 63.100 0.031 0.000 1.052 228 P CB 0.034 31.745 31.700 0.020 0.000 1.594 229 L N -0.251 120.999 121.223 0.045 0.000 3.893 229 L HA -0.247 4.092 4.340 -0.001 0.000 0.547 229 L C 0.619 177.471 176.870 -0.031 0.000 1.000 229 L CA 0.837 55.702 54.840 0.042 0.000 0.988 229 L CB -0.766 41.357 42.059 0.108 0.000 0.738 229 L HN 0.278 nan 8.230 nan 0.000 0.831 230 K N 3.219 123.530 120.400 -0.149 0.000 2.440 230 K HA -0.076 4.243 4.320 -0.001 0.000 0.270 230 K C 1.140 177.615 176.600 -0.209 0.000 0.980 230 K CA -0.107 56.043 56.287 -0.228 0.000 0.953 230 K CB 0.558 32.823 32.500 -0.391 0.000 0.925 230 K HN 0.518 nan 8.250 nan 0.000 0.497 231 E N 1.922 122.046 120.200 -0.127 0.000 2.274 231 E HA -0.178 4.171 4.350 -0.001 0.000 0.194 231 E C 1.138 177.718 176.600 -0.034 0.000 0.996 231 E CA 0.925 57.296 56.400 -0.048 0.000 0.840 231 E CB 0.253 29.944 29.700 -0.015 0.000 0.772 231 E HN 0.614 nan 8.360 nan 0.000 0.491 232 E N -0.641 119.488 120.200 -0.120 0.000 2.401 232 E HA -0.197 4.153 4.350 -0.001 0.000 0.199 232 E C 1.366 178.035 176.600 0.115 0.000 1.023 232 E CA 0.882 57.269 56.400 -0.022 0.000 0.859 232 E CB -0.111 29.559 29.700 -0.050 0.000 0.780 232 E HN 0.317 nan 8.360 nan 0.000 0.523 233 H N 1.431 120.526 119.070 0.042 0.000 2.431 233 H HA 0.147 4.703 4.556 -0.001 0.000 0.295 233 H C 1.458 176.957 175.328 0.284 0.000 1.038 233 H CA 0.899 57.019 56.048 0.119 0.000 1.360 233 H CB 0.125 29.795 29.762 -0.153 0.000 1.433 233 H HN 0.175 nan 8.280 nan 0.000 0.536 234 K N 0.282 120.872 120.400 0.316 0.000 2.362 234 K HA -0.010 4.310 4.320 -0.001 0.000 0.200 234 K C 1.894 178.582 176.600 0.147 0.000 1.046 234 K CA 0.614 57.025 56.287 0.206 0.000 0.952 234 K CB 0.327 32.919 32.500 0.153 0.000 0.753 234 K HN 0.218 nan 8.250 nan 0.000 0.466 235 I N 0.026 120.714 120.570 0.196 0.000 2.339 235 I HA -0.187 3.983 4.170 -0.001 0.000 0.245 235 I C 2.081 178.341 176.117 0.239 0.000 1.096 235 I CA 0.661 62.070 61.300 0.181 0.000 1.408 235 I CB -0.073 38.032 38.000 0.175 0.000 1.092 235 I HN 0.070 nan 8.210 nan 0.000 0.423 236 F N 1.382 121.418 119.950 0.143 0.000 2.120 236 F HA -0.335 4.191 4.527 -0.001 0.000 0.300 236 F C 2.255 178.069 175.800 0.023 0.000 1.095 236 F CA 1.721 59.808 58.000 0.144 0.000 1.249 236 F CB 0.011 39.164 39.000 0.255 0.000 0.995 236 F HN 0.005 nan 8.300 nan 0.000 0.480 237 L N 0.061 121.446 121.223 0.271 0.000 2.023 237 L HA -0.149 4.190 4.340 -0.001 0.000 0.205 237 L C 2.070 178.902 176.870 -0.063 0.000 1.073 237 L CA 1.514 56.274 54.840 -0.134 0.000 0.745 237 L CB -0.876 40.712 42.059 -0.784 0.000 0.900 237 L HN 0.128 nan 8.230 nan 0.000 0.435 238 L N -0.199 121.015 121.223 -0.014 0.000 2.005 238 L HA -0.138 4.201 4.340 -0.001 0.000 0.207 238 L C 2.324 179.242 176.870 0.081 0.000 1.072 238 L CA 1.593 56.446 54.840 0.022 0.000 0.744 238 L CB -1.239 40.840 42.059 0.035 0.000 0.895 238 L HN 0.356 nan 8.230 nan 0.000 0.433 239 K N -1.027 119.443 120.400 0.115 0.000 2.444 239 K HA 0.116 4.435 4.320 -0.001 0.000 0.193 239 K C 1.493 178.220 176.600 0.211 0.000 1.024 239 K CA 0.258 56.656 56.287 0.183 0.000 1.077 239 K CB 0.843 33.466 32.500 0.205 0.000 0.833 239 K HN 0.191 nan 8.250 nan 0.000 0.517 240 V N -0.244 119.692 119.914 0.037 0.000 3.442 240 V HA 0.024 4.144 4.120 -0.001 0.000 0.205 240 V C 1.992 177.979 176.094 -0.179 0.000 1.320 240 V CA -0.052 62.159 62.300 -0.149 0.000 1.306 240 V CB -0.196 31.315 31.823 -0.519 0.000 1.267 240 V HN -0.007 nan 8.190 nan 0.000 0.538 241 L N 0.075 121.199 121.223 -0.165 0.000 1.971 241 L HA -0.250 4.089 4.340 -0.001 0.000 0.215 241 L C 2.467 179.399 176.870 0.103 0.000 1.072 241 L CA 2.078 56.890 54.840 -0.047 0.000 0.758 241 L CB -0.489 41.605 42.059 0.058 0.000 0.889 241 L HN 0.339 nan 8.230 nan 0.000 0.433 242 L N -0.130 121.153 121.223 0.099 0.000 1.989 242 L HA -0.164 4.175 4.340 -0.001 0.000 0.211 242 L C -0.230 176.828 176.870 0.314 0.000 1.071 242 L CA 1.528 56.444 54.840 0.126 0.000 0.749 242 L CB -1.841 40.265 42.059 0.078 0.000 0.890 242 L HN 0.242 nan 8.230 nan 0.000 0.431 243 P HA -0.212 nan 4.420 nan 0.000 0.222 243 P C 1.785 179.055 177.300 -0.051 0.000 1.142 243 P CA 1.452 64.584 63.100 0.054 0.000 0.788 243 P CB -0.010 31.766 31.700 0.127 0.000 0.767 244 L N -1.085 120.172 121.223 0.056 0.000 2.201 244 L HA -0.145 4.195 4.340 -0.001 0.000 0.212 244 L C 2.338 179.217 176.870 0.015 0.000 1.105 244 L CA 1.266 56.130 54.840 0.041 0.000 0.775 244 L CB -0.990 41.070 42.059 0.003 0.000 0.913 244 L HN 0.070 nan 8.230 nan 0.000 0.440 245 H N -0.797 118.211 119.070 -0.103 0.000 2.561 245 H HA -0.095 4.461 4.556 -0.001 0.000 0.278 245 H C 1.996 177.293 175.328 -0.052 0.000 1.014 245 H CA 0.673 56.671 56.048 -0.083 0.000 1.211 245 H CB -0.116 29.655 29.762 0.016 0.000 1.365 245 H HN 0.235 nan 8.280 nan 0.000 0.594 246 K N 0.135 120.475 120.400 -0.101 0.000 2.044 246 K HA 0.017 4.337 4.320 -0.001 0.000 0.204 246 K C 0.461 176.993 176.600 -0.114 0.000 1.049 246 K CA 0.317 56.480 56.287 -0.207 0.000 0.945 246 K CB 0.181 32.456 32.500 -0.376 0.000 0.724 246 K HN 0.001 nan 8.250 nan 0.000 0.440 247 V N 2.886 122.748 119.914 -0.086 0.000 2.953 247 V HA -0.142 3.977 4.120 -0.001 0.000 0.304 247 V C 1.319 177.408 176.094 -0.007 0.000 1.138 247 V CA 0.727 62.993 62.300 -0.057 0.000 1.266 247 V CB 0.569 32.398 31.823 0.011 0.000 0.923 247 V HN 0.272 nan 8.190 nan 0.000 0.505 248 K N 2.112 122.515 120.400 0.004 0.000 2.314 248 K HA -0.002 4.317 4.320 -0.001 0.000 0.198 248 K C 1.940 178.594 176.600 0.090 0.000 1.045 248 K CA 1.165 57.461 56.287 0.015 0.000 0.988 248 K CB -0.174 32.368 32.500 0.069 0.000 0.783 248 K HN 0.859 nan 8.250 nan 0.000 0.484 249 S N 1.065 116.868 115.700 0.171 0.000 2.720 249 S HA -0.019 4.450 4.470 -0.001 0.000 0.222 249 S C 1.694 176.464 174.600 0.282 0.000 0.958 249 S CA -0.035 58.305 58.200 0.232 0.000 0.943 249 S CB -0.352 63.015 63.200 0.278 0.000 0.779 249 S HN 0.110 nan 8.310 nan 0.000 0.526 250 L N 3.252 124.582 121.223 0.177 0.000 2.137 250 L HA -0.170 4.169 4.340 -0.001 0.000 0.213 250 L C 2.347 179.164 176.870 -0.089 0.000 1.085 250 L CA 2.056 56.862 54.840 -0.057 0.000 0.760 250 L CB -1.231 40.679 42.059 -0.248 0.000 0.893 250 L HN 0.627 nan 8.230 nan 0.000 0.434 251 S N -2.793 112.905 115.700 -0.003 0.000 2.559 251 S HA -0.116 4.354 4.470 -0.001 0.000 0.250 251 S C 1.406 176.049 174.600 0.072 0.000 0.977 251 S CA 1.082 59.292 58.200 0.017 0.000 0.958 251 S CB -0.826 62.418 63.200 0.073 0.000 0.751 251 S HN 0.316 nan 8.310 nan 0.000 0.534 252 V N -0.245 119.755 119.914 0.144 0.000 2.911 252 V HA 0.162 4.282 4.120 -0.001 0.000 0.237 252 V C 1.709 177.922 176.094 0.198 0.000 1.156 252 V CA 0.625 63.031 62.300 0.176 0.000 1.180 252 V CB -0.769 31.176 31.823 0.204 0.000 0.932 252 V HN 0.759 nan 8.190 nan 0.000 0.483 253 Y N -1.459 118.819 120.300 -0.037 0.000 2.485 253 Y HA 0.381 4.931 4.550 -0.001 0.000 0.260 253 Y C 2.211 178.058 175.900 -0.088 0.000 1.173 253 Y CA 0.122 58.173 58.100 -0.081 0.000 1.252 253 Y CB -0.726 37.652 38.460 -0.136 0.000 1.123 253 Y HN 0.312 nan 8.280 nan 0.000 0.524 254 H N 3.195 122.007 119.070 -0.430 0.000 2.265 254 H HA -0.118 4.437 4.556 -0.001 0.000 0.293 254 H C -0.613 174.552 175.328 -0.272 0.000 1.089 254 H CA 2.826 58.593 56.048 -0.468 0.000 1.244 254 H CB -1.191 28.358 29.762 -0.356 0.000 1.355 254 H HN 0.234 nan 8.280 nan 0.000 0.485 255 P HA -0.204 nan 4.420 nan 0.000 0.213 255 P C 1.069 178.249 177.300 -0.199 0.000 1.170 255 P CA 1.923 64.857 63.100 -0.278 0.000 0.902 255 P CB -0.057 31.578 31.700 -0.108 0.000 0.789 256 Q N -0.584 119.145 119.800 -0.118 0.000 2.226 256 Q HA -0.118 4.222 4.340 -0.001 0.000 0.204 256 Q C 2.303 178.286 176.000 -0.029 0.000 0.975 256 Q CA 0.847 56.616 55.803 -0.056 0.000 0.866 256 Q CB -1.562 27.159 28.738 -0.029 0.000 0.915 256 Q HN 0.274 nan 8.270 nan 0.000 0.440 257 L N 1.161 122.296 121.223 -0.146 0.000 1.993 257 L HA 0.023 4.362 4.340 -0.001 0.000 0.206 257 L C 2.353 179.131 176.870 -0.154 0.000 1.074 257 L CA 2.145 56.876 54.840 -0.180 0.000 0.746 257 L CB -1.339 40.474 42.059 -0.411 0.000 0.896 257 L HN 0.136 nan 8.230 nan 0.000 0.435 258 A N -0.914 121.721 122.820 -0.309 0.000 1.894 258 A HA -0.405 3.914 4.320 -0.001 0.000 0.220 258 A C 2.366 179.905 177.584 -0.074 0.000 1.237 258 A CA 2.540 54.451 52.037 -0.210 0.000 0.660 258 A CB -1.726 17.070 19.000 -0.341 0.000 0.835 258 A HN 0.704 nan 8.150 nan 0.000 0.461 259 Y N 0.135 120.348 120.300 -0.146 0.000 2.132 259 Y HA -0.387 4.162 4.550 -0.001 0.000 0.280 259 Y C 2.641 178.519 175.900 -0.036 0.000 1.193 259 Y CA 1.792 59.841 58.100 -0.086 0.000 1.157 259 Y CB -0.796 37.610 38.460 -0.090 0.000 0.966 259 Y HN 0.432 nan 8.280 nan 0.000 0.511 260 C N -1.506 117.826 119.300 0.053 0.000 2.446 260 C HA -0.135 4.325 4.460 -0.001 0.000 0.277 260 C C 2.758 177.805 174.990 0.095 0.000 1.275 260 C CA 0.877 59.936 59.018 0.068 0.000 1.727 260 C CB -1.237 26.605 27.740 0.171 0.000 2.010 260 C HN 0.500 nan 8.230 nan 0.000 0.486 261 V N 0.606 120.557 119.914 0.061 0.000 2.220 261 V HA -0.230 3.889 4.120 -0.001 0.000 0.246 261 V C 2.412 178.533 176.094 0.045 0.000 1.049 261 V CA 2.245 64.585 62.300 0.066 0.000 1.003 261 V CB -1.003 30.842 31.823 0.037 0.000 0.634 261 V HN 0.430 nan 8.190 nan 0.000 0.444 262 V N -0.731 119.150 119.914 -0.055 0.000 2.217 262 V HA -0.392 3.727 4.120 -0.001 0.000 0.248 262 V C 2.537 178.550 176.094 -0.135 0.000 1.050 262 V CA 2.552 64.791 62.300 -0.102 0.000 1.007 262 V CB -0.796 30.927 31.823 -0.167 0.000 0.639 262 V HN 0.531 nan 8.190 nan 0.000 0.452 263 Q N -1.028 118.575 119.800 -0.329 0.000 2.207 263 Q HA -0.282 4.057 4.340 -0.001 0.000 0.215 263 Q C 1.837 177.727 176.000 -0.183 0.000 1.006 263 Q CA 2.349 57.933 55.803 -0.365 0.000 0.903 263 Q CB -0.687 27.703 28.738 -0.580 0.000 0.947 263 Q HN 0.680 nan 8.270 nan 0.000 0.414 264 F N -0.791 119.062 119.950 -0.161 0.000 2.146 264 F HA -0.116 4.410 4.527 -0.001 0.000 0.298 264 F C 1.713 177.495 175.800 -0.030 0.000 1.096 264 F CA 0.915 58.877 58.000 -0.063 0.000 1.275 264 F CB 0.028 39.021 39.000 -0.011 0.000 1.008 264 F HN 0.055 nan 8.300 nan 0.000 0.480 265 L N -0.475 120.856 121.223 0.181 0.000 2.362 265 L HA -0.160 4.179 4.340 -0.001 0.000 0.219 265 L C 1.964 178.862 176.870 0.046 0.000 1.134 265 L CA 1.055 55.961 54.840 0.110 0.000 0.807 265 L CB -0.524 41.572 42.059 0.061 0.000 0.927 265 L HN 0.239 nan 8.230 nan 0.000 0.447 266 E N 0.386 120.582 120.200 -0.007 0.000 2.190 266 E HA -0.111 4.239 4.350 -0.001 0.000 0.191 266 E C 2.347 178.931 176.600 -0.027 0.000 0.978 266 E CA 0.913 57.294 56.400 -0.032 0.000 0.839 266 E CB 0.102 29.757 29.700 -0.074 0.000 0.787 266 E HN 0.444 nan 8.360 nan 0.000 0.473 267 K N 1.508 121.876 120.400 -0.052 0.000 2.504 267 K HA -0.064 4.255 4.320 -0.001 0.000 0.195 267 K C 0.433 177.044 176.600 0.019 0.000 1.036 267 K CA 1.197 57.456 56.287 -0.046 0.000 0.984 267 K CB -0.035 32.390 32.500 -0.125 0.000 0.788 267 K HN 0.142 nan 8.250 nan 0.000 0.488 268 D N -1.090 119.342 120.400 0.053 0.000 2.087 268 D HA -0.061 4.578 4.640 -0.001 0.000 0.161 268 D C -0.293 176.064 176.300 0.094 0.000 1.196 268 D CA 0.455 54.504 54.000 0.082 0.000 0.916 268 D CB 0.612 41.481 40.800 0.116 0.000 2.216 268 D HN 0.072 nan 8.370 nan 0.000 0.512 269 S N 1.574 117.317 115.700 0.071 0.000 2.803 269 S HA 0.056 4.525 4.470 -0.001 0.000 0.228 269 S C 1.168 175.811 174.600 0.071 0.000 0.953 269 S CA 0.398 58.639 58.200 0.070 0.000 0.983 269 S CB 0.089 63.325 63.200 0.060 0.000 0.784 269 S HN 0.383 nan 8.310 nan 0.000 0.498 270 T N 2.868 117.468 114.554 0.076 0.000 2.781 270 T HA 0.174 4.524 4.350 -0.001 0.000 0.252 270 T C 1.598 176.338 174.700 0.067 0.000 1.039 270 T CA 0.802 62.942 62.100 0.067 0.000 1.147 270 T CB -0.488 68.420 68.868 0.067 0.000 0.865 270 T HN 0.381 nan 8.240 nan 0.000 0.423 271 L N 1.800 123.073 121.223 0.084 0.000 2.456 271 L HA -0.166 4.173 4.340 -0.001 0.000 0.225 271 L C 2.567 179.468 176.870 0.052 0.000 1.142 271 L CA 0.759 55.642 54.840 0.072 0.000 0.796 271 L CB -1.589 40.533 42.059 0.105 0.000 0.920 271 L HN 0.369 nan 8.230 nan 0.000 0.446 272 T N -0.264 114.326 114.554 0.060 0.000 2.570 272 T HA -0.331 4.019 4.350 -0.001 0.000 0.266 272 T C 1.706 176.430 174.700 0.040 0.000 1.071 272 T CA 1.960 64.093 62.100 0.055 0.000 1.172 272 T CB -0.279 68.630 68.868 0.068 0.000 0.864 272 T HN 0.501 nan 8.240 nan 0.000 0.421 273 E N 1.784 122.005 120.200 0.036 0.000 2.086 273 E HA -0.186 4.163 4.350 -0.001 0.000 0.200 273 E C -0.375 176.228 176.600 0.004 0.000 1.012 273 E CA 1.815 58.227 56.400 0.020 0.000 0.812 273 E CB -0.695 29.014 29.700 0.015 0.000 0.743 273 E HN 0.436 nan 8.360 nan 0.000 0.453 274 P HA -0.074 nan 4.420 nan 0.000 0.220 274 P C 1.554 178.834 177.300 -0.034 0.000 1.152 274 P CA 0.881 63.969 63.100 -0.019 0.000 0.812 274 P CB 0.075 31.768 31.700 -0.013 0.000 0.792 275 V N 0.292 120.193 119.914 -0.021 0.000 2.427 275 V HA -0.109 4.010 4.120 -0.001 0.000 0.248 275 V C 1.923 178.005 176.094 -0.020 0.000 1.051 275 V CA 1.113 63.391 62.300 -0.036 0.000 1.048 275 V CB -0.654 31.155 31.823 -0.024 0.000 0.666 275 V HN -0.089 nan 8.190 nan 0.000 0.456 279 L N 0.832 122.117 121.223 0.103 0.000 2.051 279 L HA -0.215 4.124 4.340 -0.001 0.000 0.214 279 L C 2.509 179.665 176.870 0.476 0.000 1.076 279 L CA 1.807 56.921 54.840 0.457 0.000 0.758 279 L CB -0.597 41.705 42.059 0.404 0.000 0.890 279 L HN 0.519 nan 8.230 nan 0.000 0.433 280 L N -0.186 121.198 121.223 0.268 0.000 2.079 280 L HA -0.257 4.083 4.340 -0.001 0.000 0.210 280 L C 2.802 179.732 176.870 0.099 0.000 1.081 280 L CA 1.476 56.420 54.840 0.174 0.000 0.752 280 L CB -0.324 41.757 42.059 0.036 0.000 0.896 280 L HN 0.314 nan 8.230 nan 0.000 0.433 281 K N -0.431 119.986 120.400 0.027 0.000 2.005 281 K HA -0.158 4.162 4.320 -0.001 0.000 0.206 281 K C 2.035 178.720 176.600 0.142 0.000 1.044 281 K CA 1.078 57.360 56.287 -0.008 0.000 0.942 281 K CB -0.354 32.039 32.500 -0.178 0.000 0.727 281 K HN 0.237 nan 8.250 nan 0.000 0.439 282 Y N 0.129 120.489 120.300 0.101 0.000 2.736 282 Y HA -0.193 4.357 4.550 -0.001 0.000 0.298 282 Y C 0.755 176.569 175.900 -0.143 0.000 1.156 282 Y CA -0.884 57.259 58.100 0.071 0.000 1.384 282 Y CB -0.044 38.533 38.460 0.195 0.000 0.976 282 Y HN 0.308 nan 8.280 nan 0.000 0.556 283 W N 4.314 125.461 121.300 -0.255 0.000 2.443 283 W HA 0.016 4.675 4.660 -0.001 0.000 0.335 283 W C -2.261 173.979 176.519 -0.464 0.000 1.382 283 W CA -1.781 55.185 57.345 -0.630 0.000 1.305 283 W CB 0.180 29.446 29.460 -0.322 0.000 1.283 283 W HN 0.016 nan 8.180 nan 0.000 0.567 284 P HA -0.102 nan 4.420 nan 0.000 0.271 284 P C 0.103 177.406 177.300 0.005 0.000 1.228 284 P CA 0.987 63.905 63.100 -0.303 0.000 0.797 284 P CB 0.503 31.923 31.700 -0.467 0.000 0.914 285 K N -1.143 119.263 120.400 0.010 0.000 2.618 285 K HA 0.108 4.428 4.320 -0.001 0.000 0.205 285 K C -0.568 176.048 176.600 0.027 0.000 1.445 285 K CA 0.168 56.488 56.287 0.055 0.000 1.034 285 K CB 0.663 33.193 32.500 0.050 0.000 1.209 285 K HN 0.586 nan 8.250 nan 0.000 0.627 286 T N -1.571 112.994 114.554 0.018 0.000 4.341 286 T HA 0.181 4.530 4.350 -0.001 0.000 0.215 286 T C -0.916 173.812 174.700 0.046 0.000 0.947 286 T CA -0.598 61.507 62.100 0.008 0.000 1.470 286 T CB 0.056 68.927 68.868 0.006 0.000 0.786 286 T HN 0.126 nan 8.240 nan 0.000 0.603 287 H N 0.222 119.225 119.070 -0.111 0.000 3.738 287 H HA 0.295 4.851 4.556 -0.001 0.000 0.340 287 H C 0.818 176.052 175.328 -0.157 0.000 1.325 287 H CA -0.166 55.810 56.048 -0.120 0.000 1.413 287 H CB 0.360 30.064 29.762 -0.096 0.000 2.689 287 H HN 0.255 nan 8.280 nan 0.000 0.628 288 S N 1.680 117.318 115.700 -0.104 0.000 2.425 288 S HA -0.223 4.247 4.470 -0.001 0.000 0.256 288 S C -0.768 173.828 174.600 -0.007 0.000 1.101 288 S CA 2.162 60.248 58.200 -0.190 0.000 1.188 288 S CB -0.811 61.973 63.200 -0.694 0.000 1.085 288 S HN 0.494 nan 8.310 nan 0.000 0.439 289 P HA -0.172 nan 4.420 nan 0.000 0.217 289 P C 1.333 178.668 177.300 0.058 0.000 1.162 289 P CA 1.503 64.673 63.100 0.117 0.000 0.901 289 P CB -0.044 31.758 31.700 0.171 0.000 0.793 290 K N -0.659 119.774 120.400 0.054 0.000 2.103 290 K HA -0.219 4.101 4.320 -0.001 0.000 0.207 290 K C 2.170 178.658 176.600 -0.187 0.000 1.048 290 K CA 1.434 57.589 56.287 -0.219 0.000 0.930 290 K CB -0.340 31.874 32.500 -0.477 0.000 0.716 290 K HN 0.211 nan 8.250 nan 0.000 0.444 291 E N 0.784 120.859 120.200 -0.209 0.000 2.118 291 E HA -0.137 4.212 4.350 -0.001 0.000 0.195 291 E C 0.490 176.973 176.600 -0.195 0.000 0.992 291 E CA 0.645 56.851 56.400 -0.324 0.000 0.804 291 E CB 0.176 29.822 29.700 -0.090 0.000 0.741 291 E HN -0.052 nan 8.360 nan 0.000 0.458 295 L N 1.004 122.221 121.223 -0.010 0.000 2.010 295 L HA -0.354 3.985 4.340 -0.001 0.000 0.219 295 L C 2.021 179.062 176.870 0.285 0.000 1.077 295 L CA 2.641 57.647 54.840 0.275 0.000 0.773 295 L CB -0.568 41.663 42.059 0.286 0.000 0.892 295 L HN 0.387 nan 8.230 nan 0.000 0.436 296 N N -0.313 118.480 118.700 0.155 0.000 2.084 296 N HA -0.272 4.467 4.740 -0.001 0.000 0.190 296 N C 1.817 177.383 175.510 0.092 0.000 1.030 296 N CA 1.697 54.813 53.050 0.110 0.000 0.849 296 N CB -0.061 38.475 38.487 0.082 0.000 1.012 296 N HN 0.293 nan 8.380 nan 0.000 0.423 297 E N -0.780 119.484 120.200 0.107 0.000 2.110 297 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 297 E C 1.624 178.264 176.600 0.066 0.000 0.988 297 E CA 0.629 57.062 56.400 0.055 0.000 0.804 297 E CB -0.050 29.673 29.700 0.038 0.000 0.745 297 E HN 0.267 nan 8.360 nan 0.000 0.458 298 L N 1.638 122.949 121.223 0.148 0.000 2.046 298 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 298 L C 2.261 179.233 176.870 0.170 0.000 1.077 298 L CA 1.942 56.908 54.840 0.210 0.000 0.747 298 L CB -0.906 41.369 42.059 0.359 0.000 0.896 298 L HN 0.237 nan 8.230 nan 0.000 0.432 299 E N -0.271 119.999 120.200 0.117 0.000 2.038 299 E HA -0.255 4.095 4.350 -0.001 0.000 0.195 299 E C 1.854 178.401 176.600 -0.088 0.000 1.000 299 E CA 1.565 57.882 56.400 -0.137 0.000 0.803 299 E CB -0.124 29.325 29.700 -0.418 0.000 0.750 299 E HN 0.550 nan 8.360 nan 0.000 0.448 300 E N 0.072 120.237 120.200 -0.058 0.000 2.233 300 E HA -0.227 4.122 4.350 -0.001 0.000 0.199 300 E C 2.138 178.702 176.600 -0.061 0.000 1.004 300 E CA 1.240 57.604 56.400 -0.061 0.000 0.819 300 E CB -0.148 29.524 29.700 -0.047 0.000 0.738 300 E HN 0.500 nan 8.360 nan 0.000 0.478 301 I N 0.300 120.855 120.570 -0.025 0.000 2.429 301 I HA -0.180 3.990 4.170 -0.001 0.000 0.247 301 I C 2.356 178.456 176.117 -0.027 0.000 1.099 301 I CA 0.426 61.719 61.300 -0.012 0.000 1.422 301 I CB -0.116 37.907 38.000 0.037 0.000 1.112 301 I HN 0.073 nan 8.210 nan 0.000 0.430 302 L N 0.575 121.801 121.223 0.006 0.000 2.042 302 L HA -0.289 4.051 4.340 -0.001 0.000 0.210 302 L C 2.154 178.888 176.870 -0.227 0.000 1.076 302 L CA 1.386 56.220 54.840 -0.009 0.000 0.749 302 L CB -0.672 41.439 42.059 0.087 0.000 0.893 302 L HN 0.310 nan 8.230 nan 0.000 0.432 303 D N -0.468 119.791 120.400 -0.235 0.000 2.280 303 D HA -0.166 4.473 4.640 -0.001 0.000 0.206 303 D C 1.801 177.833 176.300 -0.447 0.000 0.988 303 D CA 1.367 55.156 54.000 -0.351 0.000 0.886 303 D CB 0.274 40.956 40.800 -0.197 0.000 0.914 303 D HN 0.232 nan 8.370 nan 0.000 0.473 304 V N 0.381 120.120 119.914 -0.292 0.000 3.645 304 V HA 0.060 4.179 4.120 -0.001 0.000 0.275 304 V C 1.136 177.139 176.094 -0.151 0.000 1.356 304 V CA -0.443 61.730 62.300 -0.211 0.000 1.051 304 V CB 0.880 32.636 31.823 -0.111 0.000 0.828 304 V HN 0.064 nan 8.190 nan 0.000 0.441 305 I N 1.889 122.376 120.570 -0.137 0.000 3.185 305 I HA -0.060 4.109 4.170 -0.001 0.000 0.300 305 I C 0.563 176.716 176.117 0.060 0.000 1.245 305 I CA 0.923 62.228 61.300 0.008 0.000 1.413 305 I CB 0.471 38.532 38.000 0.103 0.000 1.324 305 I HN 0.360 nan 8.210 nan 0.000 0.588 306 E N 7.157 127.435 120.200 0.130 0.000 2.151 306 E HA 0.364 4.714 4.350 -0.001 0.000 0.275 306 E C -1.921 174.798 176.600 0.198 0.000 0.936 306 E CA -1.889 54.601 56.400 0.149 0.000 0.777 306 E CB 1.615 31.379 29.700 0.108 0.000 1.108 306 E HN 0.249 nan 8.360 nan 0.000 0.401 307 P HA -0.320 nan 4.420 nan 0.000 0.216 307 P C 1.035 178.457 177.300 0.204 0.000 1.167 307 P CA 2.542 65.761 63.100 0.198 0.000 0.933 307 P CB 0.026 31.793 31.700 0.112 0.000 0.793 308 S N -1.288 114.493 115.700 0.135 0.000 2.420 308 S HA -0.220 4.250 4.470 -0.001 0.000 0.237 308 S C 1.775 176.441 174.600 0.110 0.000 1.023 308 S CA 1.301 59.564 58.200 0.105 0.000 0.991 308 S CB -0.948 62.297 63.200 0.074 0.000 0.792 308 S HN 0.171 nan 8.310 nan 0.000 0.488 309 E N 0.469 120.752 120.200 0.139 0.000 2.102 309 E HA 0.123 4.472 4.350 -0.001 0.000 0.190 309 E C 1.640 178.335 176.600 0.158 0.000 0.971 309 E CA 0.320 56.795 56.400 0.125 0.000 0.821 309 E CB -0.543 29.230 29.700 0.122 0.000 0.777 309 E HN 0.606 nan 8.360 nan 0.000 0.460 310 F N 2.272 122.274 119.950 0.085 0.000 2.184 310 F HA -0.247 4.279 4.527 -0.001 0.000 0.301 310 F C 2.003 177.857 175.800 0.091 0.000 1.076 310 F CA 1.034 59.099 58.000 0.108 0.000 1.295 310 F CB -0.183 38.900 39.000 0.139 0.000 1.026 310 F HN -0.207 nan 8.300 nan 0.000 0.494 311 V N 0.193 120.124 119.914 0.027 0.000 2.515 311 V HA -0.267 3.853 4.120 -0.001 0.000 0.250 311 V C 2.338 178.372 176.094 -0.100 0.000 1.058 311 V CA 1.999 64.254 62.300 -0.076 0.000 1.064 311 V CB -0.723 31.113 31.823 0.021 0.000 0.675 311 V HN 0.279 nan 8.190 nan 0.000 0.461 312 K N -0.316 120.056 120.400 -0.047 0.000 2.097 312 K HA -0.025 4.295 4.320 -0.001 0.000 0.205 312 K C 0.715 177.276 176.600 -0.065 0.000 1.050 312 K CA 0.877 57.141 56.287 -0.038 0.000 0.938 312 K CB -0.089 32.410 32.500 -0.003 0.000 0.718 312 K HN 0.335 nan 8.250 nan 0.000 0.442 316 P HA -0.112 nan 4.420 nan 0.000 0.216 316 P C 1.875 179.137 177.300 -0.062 0.000 1.153 316 P CA 0.985 64.058 63.100 -0.045 0.000 0.844 316 P CB 0.224 31.892 31.700 -0.054 0.000 0.787 317 L N -0.143 121.055 121.223 -0.042 0.000 1.956 317 L HA -0.146 4.193 4.340 -0.001 0.000 0.216 317 L C 2.503 179.271 176.870 -0.170 0.000 1.073 317 L CA 2.071 56.852 54.840 -0.097 0.000 0.762 317 L CB -1.840 40.191 42.059 -0.046 0.000 0.889 317 L HN -0.221 nan 8.230 nan 0.000 0.433 318 F N -0.369 119.539 119.950 -0.071 0.000 2.451 318 F HA -0.085 4.442 4.527 -0.001 0.000 0.299 318 F C 2.668 178.437 175.800 -0.051 0.000 1.101 318 F CA 1.180 59.157 58.000 -0.039 0.000 1.436 318 F CB -0.372 38.636 39.000 0.012 0.000 1.074 318 F HN 0.102 nan 8.300 nan 0.000 0.553 319 R N -0.059 120.479 120.500 0.063 0.000 2.092 319 R HA -0.205 4.134 4.340 -0.001 0.000 0.231 319 R C 2.212 178.460 176.300 -0.086 0.000 1.119 319 R CA 1.454 57.553 56.100 -0.001 0.000 0.970 319 R CB -0.138 30.142 30.300 -0.034 0.000 0.864 319 R HN 0.256 nan 8.270 nan 0.000 0.440 320 Q N 0.507 120.191 119.800 -0.192 0.000 2.033 320 Q HA -0.051 4.289 4.340 -0.001 0.000 0.196 320 Q C 1.965 177.794 176.000 -0.286 0.000 0.970 320 Q CA 1.307 56.902 55.803 -0.347 0.000 0.828 320 Q CB -0.242 28.116 28.738 -0.634 0.000 0.895 320 Q HN 0.324 nan 8.270 nan 0.000 0.440 321 L N 0.407 121.467 121.223 -0.272 0.000 2.064 321 L HA -0.317 4.022 4.340 -0.001 0.000 0.216 321 L C 2.449 179.294 176.870 -0.042 0.000 1.077 321 L CA 1.363 56.082 54.840 -0.202 0.000 0.766 321 L CB -0.876 40.973 42.059 -0.350 0.000 0.890 321 L HN 0.427 nan 8.230 nan 0.000 0.435 322 A N 0.062 122.889 122.820 0.011 0.000 1.873 322 A HA -0.279 4.040 4.320 -0.001 0.000 0.218 322 A C 2.293 179.880 177.584 0.005 0.000 1.193 322 A CA 2.188 54.256 52.037 0.051 0.000 0.629 322 A CB -0.453 18.584 19.000 0.060 0.000 0.826 322 A HN 0.377 nan 8.150 nan 0.000 0.447 323 K N -0.965 119.412 120.400 -0.038 0.000 2.063 323 K HA -0.168 4.152 4.320 -0.001 0.000 0.208 323 K C 2.097 178.701 176.600 0.007 0.000 1.048 323 K CA 1.461 57.729 56.287 -0.033 0.000 0.928 323 K CB -0.572 31.878 32.500 -0.085 0.000 0.713 323 K HN 0.569 nan 8.250 nan 0.000 0.442 324 C N 0.425 119.731 119.300 0.009 0.000 2.413 324 C HA -0.115 4.344 4.460 -0.001 0.000 0.276 324 C C 2.668 177.709 174.990 0.085 0.000 1.236 324 C CA 0.632 59.703 59.018 0.088 0.000 1.735 324 C CB -0.630 27.189 27.740 0.131 0.000 2.031 324 C HN 0.281 nan 8.230 nan 0.000 0.474 325 V N 0.176 120.122 119.914 0.053 0.000 2.332 325 V HA -0.177 3.942 4.120 -0.001 0.000 0.248 325 V C 1.890 177.997 176.094 0.023 0.000 1.055 325 V CA 2.182 64.494 62.300 0.020 0.000 1.038 325 V CB -0.661 31.143 31.823 -0.031 0.000 0.651 325 V HN 0.537 nan 8.190 nan 0.000 0.450 326 S N 0.013 115.731 115.700 0.030 0.000 2.768 326 S HA 0.156 4.626 4.470 -0.001 0.000 0.246 326 S C 0.641 175.292 174.600 0.085 0.000 1.006 326 S CA 0.071 58.299 58.200 0.046 0.000 1.075 326 S CB -0.223 62.991 63.200 0.024 0.000 0.786 326 S HN 0.554 nan 8.310 nan 0.000 0.468 327 S N 2.094 117.863 115.700 0.114 0.000 2.693 327 S HA 0.447 4.917 4.470 -0.001 0.000 0.276 327 S C -1.771 172.961 174.600 0.219 0.000 1.192 327 S CA -1.391 56.899 58.200 0.151 0.000 0.994 327 S CB 0.962 64.262 63.200 0.166 0.000 1.012 327 S HN 0.195 nan 8.310 nan 0.000 0.550 328 P HA 0.165 nan 4.420 nan 0.000 0.272 328 P C -0.479 177.103 177.300 0.470 0.000 1.276 328 P CA 0.178 63.483 63.100 0.343 0.000 0.871 328 P CB -0.089 31.763 31.700 0.253 0.000 1.313 329 H N 1.135 120.342 119.070 0.229 0.000 2.914 329 H HA 0.167 4.722 4.556 -0.001 0.000 0.264 329 H C 1.318 176.673 175.328 0.046 0.000 1.433 329 H CA -0.800 55.325 56.048 0.128 0.000 1.342 329 H CB -0.808 28.960 29.762 0.010 0.000 1.582 329 H HN -0.116 nan 8.280 nan 0.000 0.525 330 F N 1.547 121.488 119.950 -0.014 0.000 2.127 330 F HA -0.390 4.137 4.527 -0.001 0.000 0.299 330 F C 1.661 177.395 175.800 -0.111 0.000 1.068 330 F CA 1.541 59.464 58.000 -0.128 0.000 1.263 330 F CB -0.450 38.428 39.000 -0.204 0.000 1.016 330 F HN 0.438 nan 8.300 nan 0.000 0.491 331 Q N 0.873 120.112 119.800 -0.934 0.000 2.234 331 Q HA -0.114 4.225 4.340 -0.001 0.000 0.206 331 Q C 2.438 178.416 176.000 -0.035 0.000 0.980 331 Q CA 1.941 57.467 55.803 -0.462 0.000 0.869 331 Q CB -0.450 27.893 28.738 -0.658 0.000 0.912 331 Q HN 0.583 nan 8.270 nan 0.000 0.436 332 V N 0.527 120.482 119.914 0.067 0.000 2.300 332 V HA -0.105 4.015 4.120 -0.001 0.000 0.233 332 V C 2.346 178.527 176.094 0.145 0.000 1.052 332 V CA 1.346 63.737 62.300 0.153 0.000 1.026 332 V CB -1.463 30.482 31.823 0.203 0.000 0.661 332 V HN 0.278 nan 8.190 nan 0.000 0.470 333 A N -0.105 122.795 122.820 0.133 0.000 1.969 333 A HA -0.421 3.898 4.320 -0.001 0.000 0.223 333 A C 2.182 179.835 177.584 0.114 0.000 1.218 333 A CA 2.934 55.033 52.037 0.104 0.000 0.667 333 A CB -0.874 18.164 19.000 0.064 0.000 0.826 333 A HN 0.706 nan 8.150 nan 0.000 0.472 334 E N -1.281 118.992 120.200 0.122 0.000 2.023 334 E HA -0.245 4.104 4.350 -0.001 0.000 0.196 334 E C 2.263 178.979 176.600 0.193 0.000 1.003 334 E CA 1.539 58.029 56.400 0.150 0.000 0.809 334 E CB -0.100 29.694 29.700 0.157 0.000 0.755 334 E HN 0.473 nan 8.360 nan 0.000 0.449 335 R N 0.189 120.779 120.500 0.150 0.000 2.189 335 R HA -0.010 4.329 4.340 -0.001 0.000 0.223 335 R C 1.670 178.171 176.300 0.335 0.000 1.092 335 R CA 1.319 57.517 56.100 0.165 0.000 0.989 335 R CB -0.384 29.986 30.300 0.117 0.000 0.876 335 R HN 0.234 nan 8.270 nan 0.000 0.457 336 A N 0.043 123.044 122.820 0.303 0.000 1.840 336 A HA -0.033 4.287 4.320 -0.001 0.000 0.214 336 A C 1.757 179.631 177.584 0.483 0.000 1.198 336 A CA 1.017 53.242 52.037 0.314 0.000 0.608 336 A CB -0.522 18.588 19.000 0.184 0.000 0.839 336 A HN 0.263 nan 8.150 nan 0.000 0.443 337 L N -1.578 119.870 121.223 0.374 0.000 2.353 337 L HA -0.117 4.223 4.340 -0.001 0.000 0.220 337 L C 2.026 179.254 176.870 0.597 0.000 1.133 337 L CA 1.136 56.197 54.840 0.368 0.000 0.798 337 L CB -1.076 40.994 42.059 0.019 0.000 0.922 337 L HN 0.517 nan 8.230 nan 0.000 0.445 338 Y N -2.226 118.308 120.300 0.390 0.000 2.639 338 Y HA -0.225 4.324 4.550 -0.001 0.000 0.297 338 Y C 1.976 178.079 175.900 0.339 0.000 1.151 338 Y CA 0.713 58.995 58.100 0.303 0.000 1.335 338 Y CB -0.269 38.308 38.460 0.195 0.000 0.994 338 Y HN 0.149 nan 8.280 nan 0.000 0.548 339 Y N -1.704 118.836 120.300 0.400 0.000 2.181 339 Y HA -0.329 4.221 4.550 -0.001 0.000 0.288 339 Y C 2.160 178.085 175.900 0.041 0.000 1.146 339 Y CA 1.353 59.540 58.100 0.146 0.000 1.164 339 Y CB -0.856 37.571 38.460 -0.055 0.000 0.982 339 Y HN 0.222 nan 8.280 nan 0.000 0.515 340 W N 0.571 121.965 121.300 0.158 0.000 2.321 340 W HA -0.212 4.447 4.660 -0.001 0.000 0.285 340 W C 0.313 176.821 176.519 -0.019 0.000 1.213 340 W CA 1.249 58.610 57.345 0.027 0.000 1.205 340 W CB -0.525 28.885 29.460 -0.083 0.000 1.134 340 W HN 0.183 nan 8.180 nan 0.000 0.549 341 N N 1.139 119.897 118.700 0.098 0.000 2.802 341 N HA -0.008 4.731 4.740 -0.001 0.000 0.288 341 N C -0.593 174.914 175.510 -0.005 0.000 1.268 341 N CA 0.370 53.408 53.050 -0.019 0.000 1.035 341 N CB -0.548 37.818 38.487 -0.202 0.000 1.353 341 N HN 0.015 nan 8.380 nan 0.000 0.522 342 N N 0.781 119.488 118.700 0.012 0.000 2.533 342 N HA 0.092 4.832 4.740 -0.001 0.000 0.289 342 N C 0.533 176.059 175.510 0.027 0.000 1.103 342 N CA -0.156 52.899 53.050 0.008 0.000 0.877 342 N CB 1.480 39.952 38.487 -0.025 0.000 1.419 342 N HN 0.016 nan 8.380 nan 0.000 0.517 343 E N 1.722 121.945 120.200 0.037 0.000 2.037 343 E HA -0.299 4.051 4.350 -0.001 0.000 0.214 343 E C 0.619 177.247 176.600 0.047 0.000 1.041 343 E CA 1.914 58.335 56.400 0.036 0.000 0.872 343 E CB -0.220 29.502 29.700 0.036 0.000 0.785 343 E HN 0.631 nan 8.360 nan 0.000 0.476 344 Y N 1.447 121.715 120.300 -0.053 0.000 2.030 344 Y HA -0.228 4.321 4.550 -0.001 0.000 0.272 344 Y C 1.503 177.334 175.900 -0.116 0.000 1.185 344 Y CA 1.331 59.383 58.100 -0.079 0.000 1.120 344 Y CB -0.496 37.919 38.460 -0.075 0.000 0.955 344 Y HN -0.006 nan 8.280 nan 0.000 0.495 348 L N 2.645 123.721 121.223 -0.244 0.000 1.976 348 L HA -0.017 4.322 4.340 -0.001 0.000 0.209 348 L C 2.329 179.108 176.870 -0.151 0.000 1.071 348 L CA 2.031 56.654 54.840 -0.362 0.000 0.746 348 L CB -0.782 40.697 42.059 -0.965 0.000 0.890 348 L HN 0.449 nan 8.230 nan 0.000 0.432 349 I N -0.549 119.975 120.570 -0.076 0.000 2.236 349 I HA -0.386 3.784 4.170 -0.001 0.000 0.249 349 I C 2.860 178.979 176.117 0.003 0.000 1.102 349 I CA 1.475 62.782 61.300 0.012 0.000 1.365 349 I CB -0.412 37.615 38.000 0.046 0.000 1.051 349 I HN 0.316 nan 8.210 nan 0.000 0.420 350 S N 0.913 116.614 115.700 0.002 0.000 2.361 350 S HA -0.241 4.228 4.470 -0.001 0.000 0.214 350 S C 1.718 176.313 174.600 -0.008 0.000 1.034 350 S CA 1.862 60.061 58.200 -0.001 0.000 1.025 350 S CB -0.338 62.862 63.200 -0.000 0.000 0.996 350 S HN 0.389 nan 8.310 nan 0.000 0.422 351 D N 1.522 121.914 120.400 -0.013 0.000 2.332 351 D HA -0.102 4.538 4.640 -0.001 0.000 0.209 351 D C 0.640 176.953 176.300 0.022 0.000 0.988 351 D CA 0.936 54.936 54.000 0.000 0.000 0.912 351 D CB -0.357 40.441 40.800 -0.004 0.000 0.899 351 D HN 0.462 nan 8.370 nan 0.000 0.477 352 N N -0.874 117.848 118.700 0.037 0.000 2.377 352 N HA 0.196 4.936 4.740 -0.001 0.000 0.259 352 N C 0.999 176.486 175.510 -0.037 0.000 1.332 352 N CA 0.039 53.104 53.050 0.024 0.000 0.877 352 N CB 1.144 39.685 38.487 0.089 0.000 1.299 352 N HN -0.017 nan 8.380 nan 0.000 0.501 353 A N 0.991 123.779 122.820 -0.053 0.000 2.032 353 A HA -0.094 4.226 4.320 -0.001 0.000 0.221 353 A C 2.352 179.864 177.584 -0.121 0.000 1.165 353 A CA 1.865 53.837 52.037 -0.109 0.000 0.645 353 A CB -0.288 18.654 19.000 -0.097 0.000 0.807 353 A HN 0.324 nan 8.150 nan 0.000 0.453 354 A N -0.006 122.764 122.820 -0.084 0.000 1.869 354 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 354 A C 2.154 179.680 177.584 -0.096 0.000 1.203 354 A CA 2.004 53.991 52.037 -0.083 0.000 0.638 354 A CB -0.438 18.527 19.000 -0.058 0.000 0.831 354 A HN 0.452 nan 8.150 nan 0.000 0.450 355 K N -0.886 119.460 120.400 -0.090 0.000 2.167 355 K HA 0.110 4.430 4.320 -0.001 0.000 0.203 355 K C 1.937 178.472 176.600 -0.108 0.000 1.052 355 K CA 0.891 57.123 56.287 -0.091 0.000 0.956 355 K CB -0.241 32.209 32.500 -0.083 0.000 0.735 355 K HN 0.611 nan 8.250 nan 0.000 0.451 356 I N 1.087 121.567 120.570 -0.150 0.000 2.130 356 I HA -0.265 3.904 4.170 -0.001 0.000 0.234 356 I C 2.276 178.327 176.117 -0.109 0.000 1.067 356 I CA 0.544 61.732 61.300 -0.186 0.000 1.339 356 I CB -0.411 37.377 38.000 -0.354 0.000 1.073 356 I HN 0.031 nan 8.210 nan 0.000 0.405 357 L N 1.374 122.489 121.223 -0.179 0.000 2.166 357 L HA -0.240 4.099 4.340 -0.001 0.000 0.228 357 L C 0.074 176.964 176.870 0.034 0.000 1.101 357 L CA 2.800 57.544 54.840 -0.161 0.000 0.821 357 L CB -2.632 39.273 42.059 -0.257 0.000 0.908 357 L HN 0.231 nan 8.230 nan 0.000 0.447 358 P HA -0.128 nan 4.420 nan 0.000 0.216 358 P C 1.268 178.590 177.300 0.037 0.000 1.153 358 P CA 1.058 64.126 63.100 -0.053 0.000 0.848 358 P CB 0.079 31.721 31.700 -0.096 0.000 0.787 362 P HA -0.150 nan 4.420 nan 0.000 0.221 362 P C 0.818 178.007 177.300 -0.186 0.000 1.140 362 P CA 2.170 65.073 63.100 -0.329 0.000 0.797 362 P CB 0.049 31.609 31.700 -0.233 0.000 0.756 363 S N -1.226 114.411 115.700 -0.105 0.000 2.527 363 S HA 0.175 4.644 4.470 -0.001 0.000 0.227 363 S C 1.887 176.418 174.600 -0.116 0.000 1.059 363 S CA -0.004 58.150 58.200 -0.076 0.000 0.919 363 S CB -0.256 62.926 63.200 -0.031 0.000 0.805 363 S HN 0.132 nan 8.310 nan 0.000 0.500 364 L N -0.633 120.485 121.223 -0.175 0.000 2.162 364 L HA 0.159 4.498 4.340 -0.001 0.000 0.205 364 L C 1.960 178.683 176.870 -0.244 0.000 1.086 364 L CA 1.194 55.877 54.840 -0.263 0.000 0.778 364 L CB -0.428 41.418 42.059 -0.354 0.000 0.928 364 L HN 0.308 nan 8.230 nan 0.000 0.446 365 Y N 0.920 121.008 120.300 -0.352 0.000 2.511 365 Y HA 0.118 4.668 4.550 -0.001 0.000 0.279 365 Y C 1.485 177.332 175.900 -0.088 0.000 1.157 365 Y CA -0.306 57.676 58.100 -0.197 0.000 1.300 365 Y CB 0.187 38.574 38.460 -0.121 0.000 1.052 365 Y HN 0.005 nan 8.280 nan 0.000 0.529 366 R N 2.047 122.549 120.500 0.005 0.000 2.478 366 R HA -0.154 4.185 4.340 -0.001 0.000 0.281 366 R C -0.172 176.164 176.300 0.060 0.000 0.939 366 R CA 0.335 56.452 56.100 0.029 0.000 1.120 366 R CB 0.143 30.432 30.300 -0.018 0.000 0.885 366 R HN 0.355 nan 8.270 nan 0.000 0.415 367 N N 3.071 121.864 118.700 0.155 0.000 2.921 367 N HA -0.075 4.664 4.740 -0.001 0.000 0.325 367 N C -0.287 175.262 175.510 0.065 0.000 1.194 367 N CA 0.482 53.613 53.050 0.135 0.000 1.184 367 N CB 0.154 38.749 38.487 0.180 0.000 1.433 367 N HN 0.406 nan 8.380 nan 0.000 0.539 368 S N 0.396 116.073 115.700 -0.038 0.000 3.153 368 S HA -0.088 4.382 4.470 -0.001 0.000 0.252 368 S C 1.162 175.824 174.600 0.103 0.000 1.028 368 S CA 0.605 58.755 58.200 -0.084 0.000 1.164 368 S CB -0.292 62.662 63.200 -0.409 0.000 0.922 368 S HN 0.439 nan 8.310 nan 0.000 0.523 369 K N 0.392 120.887 120.400 0.159 0.000 2.440 369 K HA 0.100 4.419 4.320 -0.001 0.000 0.206 369 K C 0.209 176.900 176.600 0.152 0.000 1.025 369 K CA 0.135 56.542 56.287 0.201 0.000 1.135 369 K CB 0.513 33.108 32.500 0.159 0.000 0.856 369 K HN 0.179 nan 8.250 nan 0.000 0.502 370 T N -0.252 114.392 114.554 0.150 0.000 3.339 370 T HA 0.139 4.489 4.350 -0.001 0.000 0.292 370 T C -0.250 174.532 174.700 0.137 0.000 1.012 370 T CA -0.418 61.755 62.100 0.122 0.000 0.937 370 T CB 0.066 68.985 68.868 0.086 0.000 1.164 370 T HN 0.160 nan 8.240 nan 0.000 0.509 371 H N 0.247 119.375 119.070 0.096 0.000 2.585 371 H HA 0.370 4.925 4.556 -0.001 0.000 0.338 371 H C 0.145 175.545 175.328 0.121 0.000 1.295 371 H CA -0.672 55.415 56.048 0.065 0.000 1.356 371 H CB 1.300 31.007 29.762 -0.092 0.000 1.736 371 H HN 0.358 nan 8.280 nan 0.000 0.629 372 W N 0.165 121.683 121.300 0.364 0.000 2.893 372 W HA 0.054 4.713 4.660 -0.001 0.000 0.253 372 W C 0.290 176.902 176.519 0.155 0.000 1.171 372 W CA -0.130 57.330 57.345 0.191 0.000 1.480 372 W CB -0.672 28.868 29.460 0.132 0.000 0.963 372 W HN 0.424 nan 8.180 nan 0.000 0.637 373 N N 3.186 121.544 118.700 -0.571 0.000 2.543 373 N HA 0.118 4.858 4.740 -0.001 0.000 0.289 373 N C 0.903 176.182 175.510 -0.385 0.000 1.223 373 N CA 0.812 53.443 53.050 -0.699 0.000 1.080 373 N CB 0.323 38.081 38.487 -1.215 0.000 1.450 373 N HN 0.187 nan 8.380 nan 0.000 0.501 374 K N 1.415 121.712 120.400 -0.171 0.000 2.965 374 K HA -0.031 4.289 4.320 -0.001 0.000 0.248 374 K C 1.019 177.532 176.600 -0.145 0.000 0.874 374 K CA 1.135 57.350 56.287 -0.121 0.000 1.063 374 K CB -0.878 31.581 32.500 -0.068 0.000 0.923 374 K HN 0.641 nan 8.250 nan 0.000 0.461 375 T N -0.412 114.017 114.554 -0.207 0.000 3.221 375 T HA 0.107 4.456 4.350 -0.001 0.000 0.250 375 T C 1.965 176.570 174.700 -0.158 0.000 0.988 375 T CA 0.641 62.638 62.100 -0.172 0.000 1.163 375 T CB -0.193 68.557 68.868 -0.195 0.000 1.098 375 T HN 0.589 nan 8.240 nan 0.000 0.422 376 I N 0.518 120.939 120.570 -0.248 0.000 2.248 376 I HA -0.239 3.931 4.170 -0.001 0.000 0.248 376 I C 2.330 178.358 176.117 -0.148 0.000 1.107 376 I CA 2.101 63.269 61.300 -0.219 0.000 1.373 376 I CB -0.778 37.026 38.000 -0.327 0.000 1.055 376 I HN 0.359 nan 8.210 nan 0.000 0.418 377 H N 1.207 120.147 119.070 -0.217 0.000 2.394 377 H HA -0.154 4.402 4.556 -0.001 0.000 0.297 377 H C 2.262 177.533 175.328 -0.095 0.000 1.113 377 H CA 2.066 58.031 56.048 -0.139 0.000 1.277 377 H CB -0.194 29.499 29.762 -0.114 0.000 1.370 377 H HN 0.511 nan 8.280 nan 0.000 0.506 378 G N -0.315 108.534 108.800 0.081 0.000 2.411 378 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.213 378 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.213 378 G C 1.684 176.595 174.900 0.018 0.000 1.166 378 G CA 0.421 45.546 45.100 0.042 0.000 0.802 378 G HN 0.364 nan 8.290 nan 0.000 0.533 379 L N 0.115 121.312 121.223 -0.043 0.000 2.089 379 L HA -0.114 4.226 4.340 -0.001 0.000 0.213 379 L C 2.765 179.552 176.870 -0.137 0.000 1.079 379 L CA 0.992 55.788 54.840 -0.074 0.000 0.758 379 L CB -0.163 41.848 42.059 -0.080 0.000 0.891 379 L HN 0.226 nan 8.230 nan 0.000 0.433 380 I N -2.230 118.241 120.570 -0.166 0.000 2.233 380 I HA -0.327 3.843 4.170 -0.001 0.000 0.243 380 I C 2.344 178.339 176.117 -0.202 0.000 1.093 380 I CA 1.062 62.203 61.300 -0.265 0.000 1.380 380 I CB -0.273 37.557 38.000 -0.283 0.000 1.067 380 I HN 0.193 nan 8.210 nan 0.000 0.413 381 Y N 2.027 122.203 120.300 -0.208 0.000 1.997 381 Y HA -0.472 4.077 4.550 -0.001 0.000 0.265 381 Y C 2.533 178.351 175.900 -0.137 0.000 1.193 381 Y CA 2.458 60.473 58.100 -0.141 0.000 1.106 381 Y CB -0.686 37.734 38.460 -0.066 0.000 0.940 381 Y HN 0.234 nan 8.280 nan 0.000 0.494 382 N N 0.655 119.430 118.700 0.126 0.000 2.091 382 N HA -0.268 4.471 4.740 -0.001 0.000 0.193 382 N C 1.840 177.250 175.510 -0.166 0.000 1.021 382 N CA 1.757 54.818 53.050 0.019 0.000 0.862 382 N CB -0.466 38.043 38.487 0.036 0.000 1.018 382 N HN 0.609 nan 8.380 nan 0.000 0.429 383 A N 1.729 124.346 122.820 -0.338 0.000 1.858 383 A HA -0.059 4.261 4.320 -0.001 0.000 0.216 383 A C 2.584 179.913 177.584 -0.425 0.000 1.190 383 A CA 0.960 52.610 52.037 -0.645 0.000 0.617 383 A CB -0.835 17.401 19.000 -1.275 0.000 0.827 383 A HN 0.335 nan 8.150 nan 0.000 0.443 384 L N -0.732 120.309 121.223 -0.303 0.000 2.013 384 L HA -0.265 4.074 4.340 -0.001 0.000 0.212 384 L C 2.689 179.590 176.870 0.051 0.000 1.073 384 L CA 2.160 57.019 54.840 0.030 0.000 0.753 384 L CB -0.623 41.424 42.059 -0.020 0.000 0.890 384 L HN 0.465 nan 8.230 nan 0.000 0.432 385 K N 0.267 120.537 120.400 -0.216 0.000 2.032 385 K HA -0.209 4.110 4.320 -0.001 0.000 0.209 385 K C 2.035 178.615 176.600 -0.034 0.000 1.048 385 K CA 1.432 57.586 56.287 -0.222 0.000 0.927 385 K CB -0.149 32.194 32.500 -0.262 0.000 0.712 385 K HN 0.108 nan 8.250 nan 0.000 0.441 386 L N 0.520 121.762 121.223 0.031 0.000 2.456 386 L HA -0.078 4.262 4.340 -0.001 0.000 0.224 386 L C 0.883 177.960 176.870 0.345 0.000 1.148 386 L CA 0.580 55.510 54.840 0.149 0.000 0.825 386 L CB -0.196 41.968 42.059 0.175 0.000 0.937 386 L HN 0.037 nan 8.230 nan 0.000 0.450 392 Q N 1.588 121.433 119.800 0.076 0.000 1.967 392 Q HA -0.222 4.117 4.340 -0.001 0.000 0.210 392 Q C 1.450 177.521 176.000 0.118 0.000 1.005 392 Q CA 1.864 57.715 55.803 0.081 0.000 0.862 392 Q CB -0.126 28.633 28.738 0.035 0.000 0.939 392 Q HN 0.635 nan 8.270 nan 0.000 0.417 393 K N 0.198 120.638 120.400 0.067 0.000 2.013 393 K HA -0.230 4.089 4.320 -0.001 0.000 0.225 393 K C 2.362 178.990 176.600 0.046 0.000 1.056 393 K CA 2.010 58.325 56.287 0.047 0.000 0.971 393 K CB -0.550 31.962 32.500 0.019 0.000 0.731 393 K HN 0.126 nan 8.250 nan 0.000 0.450 394 L N -0.168 121.070 121.223 0.025 0.000 1.991 394 L HA -0.276 4.064 4.340 -0.001 0.000 0.221 394 L C 2.394 179.238 176.870 -0.044 0.000 1.079 394 L CA 1.993 56.815 54.840 -0.029 0.000 0.778 394 L CB -0.544 41.489 42.059 -0.043 0.000 0.893 394 L HN 0.325 nan 8.230 nan 0.000 0.437 395 F N 0.835 120.748 119.950 -0.062 0.000 2.045 395 F HA -0.388 4.139 4.527 -0.001 0.000 0.297 395 F C 2.438 178.191 175.800 -0.078 0.000 1.114 395 F CA 2.230 60.223 58.000 -0.013 0.000 1.207 395 F CB -0.264 38.808 39.000 0.120 0.000 0.964 395 F HN 0.220 nan 8.300 nan 0.000 0.486 396 D N 0.110 120.684 120.400 0.290 0.000 2.084 396 D HA -0.204 4.435 4.640 -0.001 0.000 0.194 396 D C 1.880 178.160 176.300 -0.032 0.000 0.990 396 D CA 1.692 55.793 54.000 0.168 0.000 0.826 396 D CB -0.668 40.215 40.800 0.138 0.000 0.971 396 D HN 0.395 nan 8.370 nan 0.000 0.453 397 D N 0.550 120.912 120.400 -0.063 0.000 2.172 397 D HA -0.154 4.486 4.640 -0.001 0.000 0.196 397 D C 2.304 178.478 176.300 -0.209 0.000 0.999 397 D CA 0.841 54.774 54.000 -0.112 0.000 0.856 397 D CB -0.294 40.448 40.800 -0.096 0.000 0.934 397 D HN 0.298 nan 8.370 nan 0.000 0.453 398 C N 0.411 119.490 119.300 -0.369 0.000 2.500 398 C HA -0.044 4.415 4.460 -0.001 0.000 0.279 398 C C 2.875 177.510 174.990 -0.593 0.000 1.288 398 C CA 0.592 59.262 59.018 -0.581 0.000 1.710 398 C CB -1.009 26.117 27.740 -1.024 0.000 2.052 398 C HN 0.359 nan 8.230 nan 0.000 0.488 399 T N 1.120 115.296 114.554 -0.630 0.000 2.653 399 T HA -0.312 4.038 4.350 -0.001 0.000 0.268 399 T C 1.729 176.301 174.700 -0.213 0.000 1.035 399 T CA 2.321 64.211 62.100 -0.350 0.000 1.154 399 T CB -0.435 68.423 68.868 -0.016 0.000 0.862 399 T HN 0.599 nan 8.240 nan 0.000 0.441 400 Q N 1.277 120.980 119.800 -0.163 0.000 1.891 400 Q HA -0.161 4.178 4.340 -0.001 0.000 0.214 400 Q C 2.376 178.297 176.000 -0.131 0.000 0.995 400 Q CA 1.966 57.697 55.803 -0.121 0.000 0.866 400 Q CB -0.703 27.981 28.738 -0.089 0.000 0.931 400 Q HN 0.554 nan 8.270 nan 0.000 0.422 401 Q N -0.942 118.783 119.800 -0.124 0.000 2.124 401 Q HA -0.261 4.078 4.340 -0.001 0.000 0.215 401 Q C 1.900 177.874 176.000 -0.044 0.000 1.015 401 Q CA 2.050 57.799 55.803 -0.090 0.000 0.890 401 Q CB -0.607 28.069 28.738 -0.104 0.000 0.966 401 Q HN 0.466 nan 8.270 nan 0.000 0.412 402 F N 1.330 121.146 119.950 -0.223 0.000 1.997 402 F HA -0.235 4.291 4.527 -0.001 0.000 0.296 402 F C 2.038 177.753 175.800 -0.143 0.000 1.160 402 F CA 1.901 59.786 58.000 -0.193 0.000 1.176 402 F CB -0.651 38.183 39.000 -0.277 0.000 0.964 402 F HN -0.109 nan 8.300 nan 0.000 0.484 403 K N 0.347 120.347 120.400 -0.666 0.000 2.071 403 K HA -0.316 4.004 4.320 -0.001 0.000 0.217 403 K C 2.240 178.620 176.600 -0.367 0.000 1.054 403 K CA 1.954 57.853 56.287 -0.646 0.000 0.937 403 K CB -0.917 31.378 32.500 -0.341 0.000 0.719 403 K HN 0.454 nan 8.250 nan 0.000 0.454 404 A N 1.561 124.252 122.820 -0.215 0.000 1.852 404 A HA -0.296 4.023 4.320 -0.001 0.000 0.217 404 A C 2.021 179.540 177.584 -0.108 0.000 1.215 404 A CA 2.104 54.065 52.037 -0.128 0.000 0.641 404 A CB -0.765 18.182 19.000 -0.087 0.000 0.838 404 A HN 0.399 nan 8.150 nan 0.000 0.450 405 E N -0.866 119.289 120.200 -0.075 0.000 2.049 405 E HA -0.255 4.094 4.350 -0.001 0.000 0.198 405 E C 2.177 178.750 176.600 -0.045 0.000 1.007 405 E CA 1.288 57.674 56.400 -0.023 0.000 0.809 405 E CB -0.214 29.516 29.700 0.050 0.000 0.749 405 E HN 0.384 nan 8.360 nan 0.000 0.450 406 K N 1.375 121.699 120.400 -0.127 0.000 2.107 406 K HA -0.221 4.098 4.320 -0.001 0.000 0.211 406 K C 2.102 178.631 176.600 -0.117 0.000 1.049 406 K CA 1.228 57.409 56.287 -0.176 0.000 0.927 406 K CB -0.700 31.412 32.500 -0.648 0.000 0.714 406 K HN 0.213 nan 8.250 nan 0.000 0.452 407 L N 0.850 121.993 121.223 -0.134 0.000 1.976 407 L HA -0.245 4.095 4.340 -0.001 0.000 0.209 407 L C 2.495 179.339 176.870 -0.043 0.000 1.071 407 L CA 1.702 56.493 54.840 -0.082 0.000 0.746 407 L CB -0.350 41.661 42.059 -0.080 0.000 0.890 407 L HN 0.184 nan 8.230 nan 0.000 0.432 408 K N -0.062 120.316 120.400 -0.037 0.000 2.015 408 K HA -0.302 4.017 4.320 -0.001 0.000 0.220 408 K C 1.825 178.421 176.600 -0.007 0.000 1.055 408 K CA 2.452 58.729 56.287 -0.018 0.000 0.951 408 K CB -0.544 31.948 32.500 -0.014 0.000 0.725 408 K HN 0.490 nan 8.250 nan 0.000 0.449 409 E N 0.496 120.697 120.200 0.002 0.000 2.147 409 E HA -0.253 4.096 4.350 -0.001 0.000 0.199 409 E C 2.074 178.681 176.600 0.013 0.000 1.005 409 E CA 1.338 57.747 56.400 0.015 0.000 0.810 409 E CB -0.090 29.631 29.700 0.034 0.000 0.736 409 E HN 0.270 nan 8.360 nan 0.000 0.460 410 K N 0.659 121.062 120.400 0.006 0.000 2.228 410 K HA -0.053 4.266 4.320 -0.001 0.000 0.202 410 K C 2.085 178.687 176.600 0.003 0.000 1.051 410 K CA 0.245 56.536 56.287 0.007 0.000 0.960 410 K CB 0.136 32.637 32.500 0.001 0.000 0.743 410 K HN 0.081 nan 8.250 nan 0.000 0.458 411 L N 0.990 122.212 121.223 -0.002 0.000 2.013 411 L HA -0.025 4.314 4.340 -0.001 0.000 0.204 411 L C 0.606 177.477 176.870 0.001 0.000 1.081 411 L CA 0.919 55.758 54.840 -0.002 0.000 0.751 411 L CB -0.180 41.875 42.059 -0.007 0.000 0.901 411 L HN 0.025 nan 8.230 nan 0.000 0.440 415 E N 0.000 120.204 120.200 0.007 0.000 2.725 415 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 415 E CA 0.000 56.403 56.400 0.005 0.000 0.976 415 E CB 0.000 29.703 29.700 0.005 0.000 0.812 415 E HN 0.000 nan 8.360 nan 0.000 0.440