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 2qts_1_D DATA FIRST_RESID 42 DATA SEQUENCE LKRVVWALCF MGSLALLALV CTNRIQYYFL YPHVTKLDEV AATRLTFPAV DATA SEQUENCE TFcNLNEFRF SRVTKNDLYH AGELLALLNN RYEIPDTQTA DEKQLEILQD DATA SEQUENCE KANFRNFKPK PFNMLEFYDR AGHDIREMLL ScFFRGEQcS PEDFKVVFTR DATA SEQUENCE YGKcYTFNAG QDGKPRLITM KGGTGNGLEI MLDIQQDEYL PVWGETDETS DATA SEQUENCE FEAGIKVQIH SQDEPPLIDQ LGFGVAPGFQ TFVSCQEQRL IYLPPPWGDc DATA SEQUENCE KATTGDSEFY DTYSITAcRI DcETRYLVEN cNcRMVHMPG DAPYcTPEQY DATA SEQUENCE KEcADPALDF LVEKDNEYcV cEMPcNVTRY GKELSMVKIP SKASAKYLAK DATA SEQUENCE KYNKSEQYIG ENILVLDIFF EALNYETIEQ KKAYEVAGLL GDIGGQMGLF DATA SEQUENCE IGASILTVLE LFDYA 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 42 L HA 0.000 nan 4.340 nan 0.000 0.249 42 L C 0.000 176.891 176.870 0.035 0.000 1.165 42 L CA 0.000 54.857 54.840 0.029 0.000 0.813 42 L CB 0.000 42.076 42.059 0.028 0.000 0.961 43 K N 1.242 121.659 120.400 0.029 0.000 2.487 43 K HA 0.174 4.494 4.320 0.000 0.000 0.192 43 K C 1.140 177.774 176.600 0.056 0.000 1.027 43 K CA 0.504 56.813 56.287 0.037 0.000 1.054 43 K CB 0.452 32.963 32.500 0.018 0.000 0.824 43 K HN 0.493 nan 8.250 nan 0.000 0.510 44 R N -0.555 119.969 120.500 0.041 0.000 2.225 44 R HA 0.026 4.366 4.340 0.000 0.000 0.194 44 R C 2.036 178.447 176.300 0.186 0.000 0.957 44 R CA 0.340 56.500 56.100 0.101 0.000 1.042 44 R CB -0.056 30.195 30.300 -0.082 0.000 1.004 44 R HN 0.015 nan 8.270 nan 0.000 0.509 45 V N 1.257 121.229 119.914 0.097 0.000 2.626 45 V HA -0.142 3.978 4.120 0.000 0.000 0.252 45 V C 1.871 178.010 176.094 0.075 0.000 1.067 45 V CA 1.493 63.836 62.300 0.073 0.000 1.081 45 V CB 0.072 31.922 31.823 0.046 0.000 0.686 45 V HN 0.045 nan 8.190 nan 0.000 0.468 46 V N -1.116 118.857 119.914 0.098 0.000 2.649 46 V HA -0.114 4.006 4.120 0.000 0.000 0.248 46 V C 1.926 178.095 176.094 0.124 0.000 1.054 46 V CA 1.717 64.070 62.300 0.089 0.000 1.073 46 V CB -0.606 31.267 31.823 0.084 0.000 0.699 46 V HN 0.854 nan 8.190 nan 0.000 0.463 47 W N 1.603 122.892 121.300 -0.017 0.000 2.381 47 W HA -0.073 4.587 4.660 0.000 0.000 0.301 47 W C 2.321 178.842 176.519 0.003 0.000 1.205 47 W CA 1.619 58.955 57.345 -0.015 0.000 1.285 47 W CB -0.255 29.174 29.460 -0.052 0.000 1.133 47 W HN 0.158 nan 8.180 nan 0.000 0.521 48 A N 0.776 123.504 122.820 -0.153 0.000 1.929 48 A HA -0.096 4.224 4.320 0.000 0.000 0.216 48 A C 1.933 179.412 177.584 -0.175 0.000 1.176 48 A CA 1.863 53.683 52.037 -0.362 0.000 0.628 48 A CB -1.235 17.679 19.000 -0.143 0.000 0.816 48 A HN 0.552 nan 8.150 nan 0.000 0.444 49 L N -1.953 119.231 121.223 -0.066 0.000 2.275 49 L HA -0.038 4.302 4.340 0.000 0.000 0.215 49 L C 2.074 178.930 176.870 -0.024 0.000 1.119 49 L CA 1.242 56.072 54.840 -0.017 0.000 0.790 49 L CB -1.866 40.196 42.059 0.004 0.000 0.919 49 L HN 0.254 nan 8.230 nan 0.000 0.443 50 C N -0.408 118.854 119.300 -0.064 0.000 2.440 50 C HA -0.067 4.393 4.460 0.000 0.000 0.278 50 C C 2.573 177.524 174.990 -0.065 0.000 1.295 50 C CA 0.688 59.670 59.018 -0.060 0.000 1.738 50 C CB -1.201 26.497 27.740 -0.070 0.000 1.987 50 C HN 0.724 nan 8.230 nan 0.000 0.492 51 F N 0.807 120.596 119.950 -0.267 0.000 2.325 51 F HA -0.029 4.498 4.527 0.000 0.000 0.299 51 F C 2.221 177.956 175.800 -0.107 0.000 1.090 51 F CA 1.314 59.163 58.000 -0.252 0.000 1.392 51 F CB -0.286 38.481 39.000 -0.388 0.000 1.053 51 F HN 0.020 nan 8.300 nan 0.000 0.521 52 M N 0.180 119.849 119.600 0.115 0.000 2.156 52 M HA 0.012 4.492 4.480 0.000 0.000 0.264 52 M C 2.586 178.888 176.300 0.003 0.000 1.067 52 M CA 1.394 56.748 55.300 0.090 0.000 1.131 52 M CB -2.171 30.474 32.600 0.074 0.000 1.368 52 M HN 0.265 nan 8.290 nan 0.000 0.416 53 G N -0.617 108.172 108.800 -0.018 0.000 2.422 53 G HA2 -0.214 3.747 3.960 0.000 0.000 0.218 53 G HA3 -0.214 3.747 3.960 0.000 0.000 0.218 53 G C 1.803 176.681 174.900 -0.036 0.000 1.146 53 G CA 1.388 46.473 45.100 -0.024 0.000 0.769 53 G HN 0.497 nan 8.290 nan 0.000 0.547 54 S N -0.249 115.408 115.700 -0.073 0.000 2.383 54 S HA -0.065 4.405 4.470 0.000 0.000 0.227 54 S C 2.274 176.922 174.600 0.079 0.000 1.026 54 S CA 1.304 59.480 58.200 -0.041 0.000 0.981 54 S CB -0.231 62.864 63.200 -0.175 0.000 0.818 54 S HN 0.223 nan 8.310 nan 0.000 0.472 55 L N 1.628 122.879 121.223 0.045 0.000 2.109 55 L HA 0.278 4.618 4.340 0.000 0.000 0.207 55 L C 2.396 179.211 176.870 -0.092 0.000 1.086 55 L CA 1.818 56.653 54.840 -0.008 0.000 0.760 55 L CB -1.147 40.959 42.059 0.078 0.000 0.910 55 L HN 0.307 nan 8.230 nan 0.000 0.437 56 A N -0.453 122.343 122.820 -0.041 0.000 1.898 56 A HA -0.128 4.192 4.320 0.000 0.000 0.216 56 A C 2.229 179.784 177.584 -0.049 0.000 1.181 56 A CA 1.789 53.802 52.037 -0.039 0.000 0.620 56 A CB -0.802 18.187 19.000 -0.018 0.000 0.819 56 A HN 0.475 nan 8.150 nan 0.000 0.442 57 L N -1.086 120.112 121.223 -0.041 0.000 2.046 57 L HA -0.176 4.164 4.340 0.000 0.000 0.208 57 L C 2.549 179.384 176.870 -0.059 0.000 1.077 57 L CA 1.211 56.028 54.840 -0.038 0.000 0.747 57 L CB -0.565 41.480 42.059 -0.023 0.000 0.896 57 L HN 0.449 nan 8.230 nan 0.000 0.432 58 L N 0.141 121.305 121.223 -0.098 0.000 2.131 58 L HA -0.120 4.220 4.340 0.000 0.000 0.210 58 L C 2.586 179.373 176.870 -0.138 0.000 1.092 58 L CA 1.847 56.596 54.840 -0.151 0.000 0.759 58 L CB -0.628 41.236 42.059 -0.325 0.000 0.903 58 L HN 0.141 nan 8.230 nan 0.000 0.435 59 A N -0.675 122.068 122.820 -0.128 0.000 1.873 59 A HA -0.125 4.196 4.320 0.000 0.000 0.215 59 A C 2.134 179.686 177.584 -0.053 0.000 1.186 59 A CA 1.625 53.607 52.037 -0.091 0.000 0.616 59 A CB -0.724 18.231 19.000 -0.076 0.000 0.823 59 A HN 0.384 nan 8.150 nan 0.000 0.442 60 L N -0.182 121.015 121.223 -0.044 0.000 1.994 60 L HA -0.157 4.183 4.340 0.000 0.000 0.208 60 L C 2.710 179.567 176.870 -0.022 0.000 1.071 60 L CA 1.692 56.516 54.840 -0.027 0.000 0.745 60 L CB -1.472 40.572 42.059 -0.025 0.000 0.892 60 L HN 0.265 nan 8.230 nan 0.000 0.431 61 V N -0.512 119.385 119.914 -0.028 0.000 2.220 61 V HA -0.359 3.762 4.120 0.000 0.000 0.246 61 V C 2.752 178.842 176.094 -0.007 0.000 1.049 61 V CA 1.943 64.232 62.300 -0.019 0.000 1.003 61 V CB -0.774 31.035 31.823 -0.024 0.000 0.634 61 V HN 0.497 nan 8.190 nan 0.000 0.444 62 C N -0.126 119.160 119.300 -0.023 0.000 2.376 62 C HA -0.247 4.213 4.460 0.000 0.000 0.275 62 C C 3.028 178.029 174.990 0.019 0.000 1.200 62 C CA 1.992 61.003 59.018 -0.012 0.000 1.756 62 C CB -1.486 26.225 27.740 -0.048 0.000 2.050 62 C HN 0.693 nan 8.230 nan 0.000 0.460 63 T N 0.999 115.560 114.554 0.011 0.000 2.665 63 T HA -0.235 4.115 4.350 0.000 0.000 0.268 63 T C 1.803 176.538 174.700 0.058 0.000 1.035 63 T CA 1.824 63.946 62.100 0.035 0.000 1.151 63 T CB -0.592 68.286 68.868 0.016 0.000 0.862 63 T HN 0.619 nan 8.240 nan 0.000 0.438 64 N N 0.923 119.645 118.700 0.038 0.000 2.069 64 N HA -0.157 4.583 4.740 0.000 0.000 0.191 64 N C 1.866 177.419 175.510 0.073 0.000 1.031 64 N CA 1.209 54.282 53.050 0.038 0.000 0.852 64 N CB -0.031 38.458 38.487 0.003 0.000 1.018 64 N HN 0.176 nan 8.380 nan 0.000 0.423 65 R N 0.580 121.133 120.500 0.088 0.000 2.115 65 R HA 0.081 4.421 4.340 0.000 0.000 0.226 65 R C 2.115 178.567 176.300 0.254 0.000 1.100 65 R CA 0.220 56.423 56.100 0.172 0.000 0.980 65 R CB -0.768 29.649 30.300 0.195 0.000 0.875 65 R HN 0.375 nan 8.270 nan 0.000 0.445 66 I N 1.413 122.085 120.570 0.170 0.000 2.394 66 I HA -0.175 3.995 4.170 0.000 0.000 0.251 66 I C 2.047 178.335 176.117 0.286 0.000 1.136 66 I CA 1.162 62.565 61.300 0.171 0.000 1.425 66 I CB -0.849 37.246 38.000 0.159 0.000 1.079 66 I HN 0.205 nan 8.210 nan 0.000 0.425 67 Q N -0.432 119.517 119.800 0.250 0.000 2.079 67 Q HA -0.233 4.107 4.340 0.000 0.000 0.200 67 Q C 2.252 178.391 176.000 0.231 0.000 0.974 67 Q CA 1.490 57.444 55.803 0.251 0.000 0.840 67 Q CB -0.351 28.483 28.738 0.160 0.000 0.898 67 Q HN 0.463 nan 8.270 nan 0.000 0.430 68 Y N 0.219 120.549 120.300 0.050 0.000 2.224 68 Y HA -0.304 4.246 4.550 0.000 0.000 0.289 68 Y C 2.049 177.935 175.900 -0.023 0.000 1.146 68 Y CA 1.340 59.410 58.100 -0.051 0.000 1.182 68 Y CB -0.471 37.855 38.460 -0.224 0.000 0.983 68 Y HN 0.159 nan 8.280 nan 0.000 0.524 69 Y N -0.415 119.821 120.300 -0.106 0.000 2.128 69 Y HA -0.282 4.268 4.550 0.000 0.000 0.284 69 Y C 1.726 177.217 175.900 -0.681 0.000 1.154 69 Y CA 2.081 60.023 58.100 -0.263 0.000 1.149 69 Y CB -0.954 37.321 38.460 -0.310 0.000 0.976 69 Y HN 0.062 nan 8.280 nan 0.000 0.505 70 F N 0.131 119.916 119.950 -0.275 0.000 2.722 70 F HA -0.066 4.461 4.527 0.000 0.000 0.298 70 F C 1.640 177.318 175.800 -0.205 0.000 1.175 70 F CA 0.693 58.471 58.000 -0.369 0.000 1.462 70 F CB -0.453 38.555 39.000 0.013 0.000 1.111 70 F HN 0.118 nan 8.300 nan 0.000 0.592 71 L N -1.876 119.260 121.223 -0.145 0.000 2.509 71 L HA -0.043 4.297 4.340 0.000 0.000 0.222 71 L C 0.194 177.048 176.870 -0.028 0.000 1.123 71 L CA 0.000 54.818 54.840 -0.038 0.000 0.856 71 L CB -0.588 41.417 42.059 -0.090 0.000 0.985 71 L HN 0.068 nan 8.230 nan 0.000 0.456 72 Y N -0.527 119.574 120.300 -0.333 0.000 2.981 72 Y HA -0.185 4.365 4.550 0.000 0.000 0.204 72 Y C -1.748 174.113 175.900 -0.065 0.000 1.265 72 Y CA -0.978 56.923 58.100 -0.332 0.000 0.941 72 Y CB -1.902 36.210 38.460 -0.581 0.000 1.254 72 Y HN 0.250 nan 8.280 nan 0.000 0.469 73 P HA 0.173 nan 4.420 nan 0.000 0.274 73 P C -0.230 177.177 177.300 0.178 0.000 1.237 73 P CA 0.251 63.353 63.100 0.003 0.000 0.793 73 P CB 1.274 32.885 31.700 -0.148 0.000 0.977 74 H N -0.995 118.153 119.070 0.130 0.000 2.928 74 H HA 0.690 5.246 4.556 0.000 0.000 0.371 74 H C -1.123 174.251 175.328 0.077 0.000 1.186 74 H CA -1.205 54.913 56.048 0.117 0.000 1.134 74 H CB 1.213 31.059 29.762 0.140 0.000 1.824 74 H HN 0.284 nan 8.280 nan 0.000 0.554 75 V N -0.567 119.495 119.914 0.247 0.000 2.769 75 V HA 0.695 4.816 4.120 0.000 0.000 0.312 75 V C -0.535 175.695 176.094 0.228 0.000 1.061 75 V CA -0.689 61.707 62.300 0.160 0.000 0.931 75 V CB 1.726 33.597 31.823 0.080 0.000 1.010 75 V HN 0.962 nan 8.190 nan 0.000 0.433 76 T N 3.962 118.615 114.554 0.165 0.000 2.770 76 T HA 0.426 4.776 4.350 0.000 0.000 0.297 76 T C -0.244 174.476 174.700 0.032 0.000 0.997 76 T CA -0.425 61.734 62.100 0.098 0.000 0.949 76 T CB 0.525 69.460 68.868 0.112 0.000 0.941 76 T HN 0.754 nan 8.240 nan 0.000 0.457 77 K N 2.854 123.253 120.400 -0.002 0.000 2.227 77 K HA 0.493 4.813 4.320 0.000 0.000 0.280 77 K C -0.635 175.941 176.600 -0.039 0.000 1.041 77 K CA -0.795 55.482 56.287 -0.016 0.000 0.905 77 K CB 1.178 33.666 32.500 -0.020 0.000 1.068 77 K HN 0.303 nan 8.250 nan 0.000 0.470 78 L N 2.336 123.540 121.223 -0.032 0.000 2.334 78 L HA 0.538 4.878 4.340 0.000 0.000 0.273 78 L C -1.229 175.616 176.870 -0.040 0.000 1.013 78 L CA 0.027 54.839 54.840 -0.046 0.000 0.816 78 L CB 1.636 43.675 42.059 -0.034 0.000 1.278 78 L HN 0.535 nan 8.230 nan 0.000 0.431 79 D N 2.644 123.010 120.400 -0.057 0.000 2.836 79 D HA 0.289 4.929 4.640 0.000 0.000 0.215 79 D C -1.738 174.529 176.300 -0.054 0.000 1.255 79 D CA -0.262 53.715 54.000 -0.038 0.000 0.822 79 D CB 2.085 42.872 40.800 -0.021 0.000 1.656 79 D HN 0.650 nan 8.370 nan 0.000 0.511 80 E N 1.924 122.112 120.200 -0.021 0.000 2.255 80 E HA 0.520 4.870 4.350 0.000 0.000 0.256 80 E C -0.992 175.627 176.600 0.033 0.000 0.887 80 E CA -0.674 55.720 56.400 -0.011 0.000 0.782 80 E CB 1.403 31.097 29.700 -0.011 0.000 1.214 80 E HN 0.299 nan 8.360 nan 0.000 0.417 81 V N 0.182 120.141 119.914 0.076 0.000 3.156 81 V HA 0.908 5.028 4.120 0.000 0.000 0.310 81 V C -0.761 175.408 176.094 0.124 0.000 1.234 81 V CA -0.829 61.528 62.300 0.094 0.000 1.065 81 V CB 1.596 33.479 31.823 0.100 0.000 1.088 81 V HN 0.607 nan 8.190 nan 0.000 0.451 82 A N 1.102 123.977 122.820 0.092 0.000 2.582 82 A HA 0.892 5.213 4.320 0.000 0.000 0.336 82 A C 0.582 178.198 177.584 0.053 0.000 1.445 82 A CA 0.107 52.194 52.037 0.083 0.000 0.997 82 A CB -0.541 18.496 19.000 0.062 0.000 1.148 82 A HN 2.029 nan 8.150 nan 0.000 0.514 83 A N 2.220 125.066 122.820 0.042 0.000 2.307 83 A HA 0.652 4.972 4.320 0.000 0.000 0.271 83 A C 0.864 178.407 177.584 -0.068 0.000 1.188 83 A CA 0.647 52.641 52.037 -0.070 0.000 0.810 83 A CB -0.075 18.756 19.000 -0.282 0.000 1.123 83 A HN 1.525 nan 8.150 nan 0.000 0.509 84 T N -3.002 111.491 114.554 -0.101 0.000 2.909 84 T HA 0.659 5.010 4.350 0.000 0.000 0.299 84 T C -0.176 174.473 174.700 -0.085 0.000 1.073 84 T CA -0.758 61.302 62.100 -0.066 0.000 0.999 84 T CB 1.474 70.317 68.868 -0.042 0.000 1.098 84 T HN 0.828 nan 8.240 nan 0.000 0.477 85 R N -0.392 120.076 120.500 -0.053 0.000 3.651 85 R HA -0.122 4.218 4.340 0.000 0.000 0.292 85 R C -0.354 175.904 176.300 -0.070 0.000 1.161 85 R CA -0.063 56.011 56.100 -0.043 0.000 0.787 85 R CB -2.125 28.149 30.300 -0.043 0.000 1.249 85 R HN 0.746 nan 8.270 nan 0.000 0.476 86 L N 1.518 122.679 121.223 -0.102 0.000 2.540 86 L HA 0.044 4.384 4.340 0.000 0.000 0.276 86 L C 0.382 177.211 176.870 -0.068 0.000 1.212 86 L CA 1.090 55.837 54.840 -0.155 0.000 0.893 86 L CB 0.755 42.660 42.059 -0.257 0.000 1.138 86 L HN 0.091 nan 8.230 nan 0.000 0.491 87 T N 6.473 121.001 114.554 -0.045 0.000 2.737 87 T HA 0.147 4.497 4.350 0.000 0.000 0.296 87 T C -0.083 174.675 174.700 0.097 0.000 0.922 87 T CA -0.056 62.069 62.100 0.041 0.000 1.079 87 T CB -0.363 68.523 68.868 0.031 0.000 0.892 87 T HN 0.322 nan 8.240 nan 0.000 0.514 88 F N 7.477 127.451 119.950 0.039 0.000 2.572 88 F HA 0.229 4.756 4.527 0.000 0.000 0.370 88 F C -1.390 174.454 175.800 0.073 0.000 1.103 88 F CA -1.680 56.399 58.000 0.132 0.000 1.286 88 F CB 0.609 39.747 39.000 0.230 0.000 1.105 88 F HN 0.384 nan 8.300 nan 0.000 0.583 89 P HA 0.232 nan 4.420 nan 0.000 0.277 89 P C -1.514 175.665 177.300 -0.202 0.000 1.276 89 P CA -0.500 62.436 63.100 -0.274 0.000 0.788 89 P CB 0.616 31.920 31.700 -0.660 0.000 1.114 90 A N -0.123 122.520 122.820 -0.296 0.000 2.316 90 A HA 0.530 4.850 4.320 0.000 0.000 0.284 90 A C -0.514 176.893 177.584 -0.294 0.000 1.115 90 A CA -0.481 51.374 52.037 -0.303 0.000 0.812 90 A CB 0.271 18.981 19.000 -0.483 0.000 1.064 90 A HN 0.301 nan 8.150 nan 0.000 0.489 91 V N 2.256 122.179 119.914 0.014 0.000 2.447 91 V HA 0.402 4.522 4.120 0.000 0.000 0.292 91 V C -0.118 176.146 176.094 0.283 0.000 1.021 91 V CA -0.365 62.032 62.300 0.160 0.000 0.850 91 V CB 1.511 33.514 31.823 0.300 0.000 1.005 91 V HN 0.953 nan 8.190 nan 0.000 0.426 92 T N 6.239 120.966 114.554 0.289 0.000 2.859 92 T HA 0.787 5.137 4.350 0.000 0.000 0.281 92 T C -0.657 174.175 174.700 0.221 0.000 1.005 92 T CA -0.210 62.046 62.100 0.261 0.000 1.025 92 T CB 1.087 70.097 68.868 0.236 0.000 0.977 92 T HN 0.607 nan 8.240 nan 0.000 0.458 93 F N 0.298 120.286 119.950 0.062 0.000 2.613 93 F HA 0.811 5.338 4.527 0.000 0.000 0.310 93 F C -1.448 174.306 175.800 -0.076 0.000 1.085 93 F CA -1.380 56.589 58.000 -0.052 0.000 0.945 93 F CB 0.709 39.685 39.000 -0.041 0.000 1.298 93 F HN 0.537 nan 8.300 nan 0.000 0.455 94 c N 2.315 120.860 118.600 -0.092 0.000 2.797 94 c HA 0.507 5.077 4.570 0.000 0.000 0.306 94 c C -0.514 173.484 174.090 -0.153 0.000 1.207 94 c CA -0.897 55.278 56.329 -0.257 0.000 1.507 94 c CB 1.623 43.906 42.510 -0.379 0.000 2.028 94 c HN 0.909 nan 8.230 nan 0.000 0.475 95 N N 0.948 119.558 118.700 -0.151 0.000 2.530 95 N HA 0.250 4.990 4.740 0.000 0.000 0.273 95 N C 0.721 176.052 175.510 -0.299 0.000 1.173 95 N CA -0.156 52.778 53.050 -0.192 0.000 0.967 95 N CB 0.802 39.082 38.487 -0.346 0.000 1.109 95 N HN 0.695 nan 8.380 nan 0.000 0.453 96 L N 1.395 122.464 121.223 -0.256 0.000 2.362 96 L HA -0.024 4.316 4.340 0.000 0.000 0.219 96 L C 1.217 177.946 176.870 -0.235 0.000 1.134 96 L CA 0.503 55.202 54.840 -0.236 0.000 0.807 96 L CB -0.366 41.647 42.059 -0.078 0.000 0.927 96 L HN 0.559 nan 8.230 nan 0.000 0.447 97 N N 0.753 119.170 118.700 -0.472 0.000 2.444 97 N HA 0.009 4.749 4.740 0.000 0.000 0.271 97 N C 0.367 175.709 175.510 -0.280 0.000 1.069 97 N CA -0.048 52.642 53.050 -0.601 0.000 0.965 97 N CB 1.297 38.973 38.487 -1.351 0.000 1.092 97 N HN 0.179 nan 8.380 nan 0.000 0.476 98 E N 2.364 122.395 120.200 -0.282 0.000 2.190 98 E HA 0.040 4.390 4.350 0.000 0.000 0.191 98 E C -0.559 175.570 176.600 -0.785 0.000 0.978 98 E CA 0.795 56.889 56.400 -0.509 0.000 0.839 98 E CB 0.322 29.605 29.700 -0.696 0.000 0.787 98 E HN 0.490 nan 8.360 nan 0.000 0.473 99 F N 0.520 120.416 119.950 -0.091 0.000 2.539 99 F HA 0.384 4.911 4.527 0.000 0.000 0.318 99 F C 0.025 175.752 175.800 -0.122 0.000 1.135 99 F CA -1.041 56.847 58.000 -0.187 0.000 0.915 99 F CB 1.307 40.151 39.000 -0.258 0.000 1.176 99 F HN -0.398 nan 8.300 nan 0.000 0.440 100 R N 2.318 122.795 120.500 -0.039 0.000 2.401 100 R HA 0.083 4.423 4.340 0.000 0.000 0.299 100 R C 0.984 177.361 176.300 0.129 0.000 1.064 100 R CA -0.235 55.825 56.100 -0.067 0.000 1.000 100 R CB 0.305 30.479 30.300 -0.210 0.000 0.973 100 R HN 0.705 nan 8.270 nan 0.000 0.438 101 F N 2.849 122.814 119.950 0.024 0.000 2.065 101 F HA -0.291 4.236 4.527 0.000 0.000 0.298 101 F C 2.309 178.129 175.800 0.032 0.000 1.112 101 F CA 2.359 60.381 58.000 0.037 0.000 1.212 101 F CB -0.440 38.590 39.000 0.051 0.000 0.975 101 F HN 0.569 nan 8.300 nan 0.000 0.476 102 S N -0.345 115.333 115.700 -0.036 0.000 2.500 102 S HA -0.103 4.367 4.470 0.000 0.000 0.239 102 S C 1.696 176.239 174.600 -0.095 0.000 0.989 102 S CA 0.553 58.666 58.200 -0.144 0.000 0.951 102 S CB -0.414 62.763 63.200 -0.037 0.000 0.759 102 S HN 0.334 nan 8.310 nan 0.000 0.523 103 R N 0.739 121.220 120.500 -0.033 0.000 2.362 103 R HA 0.387 4.727 4.340 0.000 0.000 0.227 103 R C -0.375 175.975 176.300 0.083 0.000 0.905 103 R CA -0.094 56.016 56.100 0.017 0.000 1.067 103 R CB -0.210 30.105 30.300 0.025 0.000 1.078 103 R HN 0.355 nan 8.270 nan 0.000 0.516 104 V N 2.965 122.913 119.914 0.057 0.000 2.408 104 V HA 0.122 4.242 4.120 0.000 0.000 0.267 104 V C 0.949 177.053 176.094 0.017 0.000 1.047 104 V CA -0.326 62.052 62.300 0.131 0.000 0.937 104 V CB 0.990 32.883 31.823 0.116 0.000 0.999 104 V HN 0.264 nan 8.190 nan 0.000 0.472 105 T N 1.673 116.256 114.554 0.048 0.000 2.862 105 T HA 0.299 4.649 4.350 0.000 0.000 0.276 105 T C 1.143 175.817 174.700 -0.043 0.000 0.974 105 T CA -0.440 61.658 62.100 -0.003 0.000 0.966 105 T CB 1.257 70.150 68.868 0.040 0.000 1.072 105 T HN 0.558 nan 8.240 nan 0.000 0.538 106 K N 0.355 120.701 120.400 -0.091 0.000 2.063 106 K HA -0.203 4.117 4.320 0.000 0.000 0.208 106 K C 2.154 178.674 176.600 -0.134 0.000 1.048 106 K CA 1.820 57.992 56.287 -0.192 0.000 0.928 106 K CB -0.389 31.889 32.500 -0.371 0.000 0.713 106 K HN 0.642 nan 8.250 nan 0.000 0.442 107 N N 0.822 119.510 118.700 -0.020 0.000 2.244 107 N HA -0.141 4.599 4.740 0.000 0.000 0.183 107 N C 1.124 176.720 175.510 0.143 0.000 1.016 107 N CA 1.617 54.812 53.050 0.241 0.000 0.866 107 N CB -0.008 38.696 38.487 0.362 0.000 0.980 107 N HN 0.242 nan 8.380 nan 0.000 0.430 108 D N -0.014 120.368 120.400 -0.031 0.000 2.097 108 D HA -0.133 4.507 4.640 0.000 0.000 0.197 108 D C 1.897 177.961 176.300 -0.395 0.000 0.984 108 D CA 0.594 54.381 54.000 -0.356 0.000 0.826 108 D CB -0.433 40.164 40.800 -0.339 0.000 0.973 108 D HN 0.222 nan 8.370 nan 0.000 0.460 109 L N 0.277 121.422 121.223 -0.129 0.000 2.042 109 L HA -0.206 4.134 4.340 0.000 0.000 0.210 109 L C 2.262 179.168 176.870 0.061 0.000 1.076 109 L CA 1.495 56.324 54.840 -0.019 0.000 0.749 109 L CB -0.817 41.291 42.059 0.081 0.000 0.893 109 L HN 0.037 nan 8.230 nan 0.000 0.432 110 Y N -0.476 119.809 120.300 -0.025 0.000 2.114 110 Y HA -0.314 4.236 4.550 0.000 0.000 0.284 110 Y C 2.592 178.314 175.900 -0.296 0.000 1.143 110 Y CA 2.376 60.303 58.100 -0.288 0.000 1.135 110 Y CB -0.275 37.924 38.460 -0.434 0.000 0.980 110 Y HN 0.406 nan 8.280 nan 0.000 0.499 111 H N -1.295 117.587 119.070 -0.314 0.000 2.372 111 H HA 0.186 4.742 4.556 0.000 0.000 0.301 111 H C 1.804 176.767 175.328 -0.609 0.000 1.065 111 H CA 1.299 57.019 56.048 -0.547 0.000 1.364 111 H CB -0.138 28.968 29.762 -1.094 0.000 1.406 111 H HN 0.347 nan 8.280 nan 0.000 0.521 112 A N 0.160 122.621 122.820 -0.598 0.000 2.431 112 A HA 0.318 4.638 4.320 0.000 0.000 0.239 112 A C 2.336 179.758 177.584 -0.270 0.000 1.230 112 A CA 0.505 52.281 52.037 -0.435 0.000 0.928 112 A CB -0.420 18.246 19.000 -0.557 0.000 1.006 112 A HN 0.431 nan 8.150 nan 0.000 0.520 113 G N 0.334 109.005 108.800 -0.215 0.000 2.476 113 G HA2 -0.299 3.661 3.960 0.000 0.000 0.218 113 G HA3 -0.299 3.661 3.960 0.000 0.000 0.218 113 G C 1.361 176.210 174.900 -0.085 0.000 1.164 113 G CA 1.250 46.288 45.100 -0.103 0.000 0.768 113 G HN 0.614 nan 8.290 nan 0.000 0.560 114 E N -0.406 119.717 120.200 -0.129 0.000 2.072 114 E HA -0.088 4.262 4.350 0.000 0.000 0.191 114 E C 2.430 178.997 176.600 -0.055 0.000 0.985 114 E CA 0.672 57.011 56.400 -0.102 0.000 0.801 114 E CB -0.174 29.422 29.700 -0.173 0.000 0.750 114 E HN 0.308 nan 8.360 nan 0.000 0.452 115 L N 0.828 122.011 121.223 -0.067 0.000 2.079 115 L HA -0.154 4.186 4.340 0.000 0.000 0.210 115 L C 1.835 178.708 176.870 0.005 0.000 1.081 115 L CA 1.612 56.442 54.840 -0.017 0.000 0.752 115 L CB -0.168 41.873 42.059 -0.030 0.000 0.896 115 L HN 0.186 nan 8.230 nan 0.000 0.433 116 L N -0.322 120.884 121.223 -0.029 0.000 2.612 116 L HA 0.253 4.593 4.340 0.000 0.000 0.230 116 L C 1.460 178.331 176.870 0.001 0.000 1.140 116 L CA 0.360 55.195 54.840 -0.008 0.000 0.896 116 L CB -0.729 41.294 42.059 -0.060 0.000 1.065 116 L HN 0.401 nan 8.230 nan 0.000 0.447 117 A N -0.039 122.796 122.820 0.026 0.000 2.847 117 A HA -0.228 4.092 4.320 0.000 0.000 0.263 117 A C 1.268 178.933 177.584 0.135 0.000 1.391 117 A CA 1.160 53.247 52.037 0.083 0.000 0.866 117 A CB -2.030 17.040 19.000 0.116 0.000 1.057 117 A HN 0.461 nan 8.150 nan 0.000 0.673 118 L N -1.893 119.363 121.223 0.055 0.000 2.477 118 L HA 0.340 4.680 4.340 0.000 0.000 0.220 118 L C 0.817 177.843 176.870 0.260 0.000 1.106 118 L CA 0.577 55.461 54.840 0.074 0.000 0.851 118 L CB 0.028 42.011 42.059 -0.126 0.000 0.994 118 L HN 0.509 nan 8.230 nan 0.000 0.462 119 L N -0.755 120.557 121.223 0.149 0.000 2.376 119 L HA 0.334 4.674 4.340 0.000 0.000 0.258 119 L C -0.385 176.514 176.870 0.048 0.000 1.013 119 L CA -0.699 54.217 54.840 0.127 0.000 0.822 119 L CB 2.190 44.312 42.059 0.106 0.000 1.388 119 L HN 0.133 nan 8.230 nan 0.000 0.413 120 N N -0.010 118.705 118.700 0.025 0.000 2.443 120 N HA 0.090 4.830 4.740 0.000 0.000 0.294 120 N C 0.216 175.652 175.510 -0.124 0.000 1.289 120 N CA -0.693 52.343 53.050 -0.023 0.000 0.966 120 N CB 0.294 38.780 38.487 -0.002 0.000 1.122 120 N HN 0.717 nan 8.380 nan 0.000 0.569 121 N N -0.201 118.424 118.700 -0.126 0.000 2.550 121 N HA -0.118 4.622 4.740 0.000 0.000 0.186 121 N C 0.381 175.733 175.510 -0.264 0.000 1.110 121 N CA 0.577 53.503 53.050 -0.206 0.000 0.912 121 N CB -0.127 38.283 38.487 -0.128 0.000 0.968 121 N HN 0.499 nan 8.380 nan 0.000 0.448 122 R N -0.273 120.132 120.500 -0.159 0.000 2.609 122 R HA 0.109 4.449 4.340 0.000 0.000 0.326 122 R C -0.582 175.757 176.300 0.064 0.000 1.090 122 R CA -0.480 55.584 56.100 -0.060 0.000 1.072 122 R CB -0.254 30.057 30.300 0.018 0.000 1.330 122 R HN 0.038 nan 8.270 nan 0.000 0.572 123 Y N 0.031 120.300 120.300 -0.052 0.000 3.589 123 Y HA -0.327 4.223 4.550 0.000 0.000 0.218 123 Y C -0.356 175.649 175.900 0.174 0.000 1.234 123 Y CA 0.671 58.765 58.100 -0.011 0.000 1.576 123 Y CB -1.964 36.412 38.460 -0.141 0.000 1.487 123 Y HN 0.293 nan 8.280 nan 0.000 0.616 124 E N -0.484 119.838 120.200 0.203 0.000 2.343 124 E HA 0.579 4.929 4.350 0.000 0.000 0.270 124 E C -0.257 176.426 176.600 0.138 0.000 0.895 124 E CA -1.286 55.217 56.400 0.171 0.000 0.767 124 E CB 1.879 31.648 29.700 0.115 0.000 1.248 124 E HN 0.099 nan 8.360 nan 0.000 0.440 125 I N 4.559 125.207 120.570 0.129 0.000 2.587 125 I HA 0.061 4.231 4.170 0.000 0.000 0.284 125 I C -1.508 174.639 176.117 0.050 0.000 1.134 125 I CA -1.320 60.065 61.300 0.141 0.000 1.410 125 I CB -0.080 37.993 38.000 0.122 0.000 1.392 125 I HN 0.280 nan 8.210 nan 0.000 0.545 126 P HA -0.070 nan 4.420 nan 0.000 0.281 126 P C -0.731 176.515 177.300 -0.091 0.000 1.274 126 P CA -0.346 62.751 63.100 -0.004 0.000 0.794 126 P CB 0.124 31.850 31.700 0.042 0.000 1.201 127 D N -0.664 119.687 120.400 -0.081 0.000 5.290 127 D HA -0.108 4.532 4.640 0.000 0.000 0.213 127 D C -0.281 175.914 176.300 -0.174 0.000 1.366 127 D CA 0.699 54.636 54.000 -0.104 0.000 0.836 127 D CB -1.232 39.516 40.800 -0.087 0.000 1.333 127 D HN 0.159 nan 8.370 nan 0.000 0.758 128 T N 1.942 116.410 114.554 -0.144 0.000 2.848 128 T HA -0.104 4.246 4.350 0.000 0.000 0.340 128 T C 1.059 175.649 174.700 -0.184 0.000 1.091 128 T CA 0.656 62.656 62.100 -0.166 0.000 1.123 128 T CB 0.254 69.062 68.868 -0.100 0.000 1.042 128 T HN 0.694 nan 8.240 nan 0.000 0.544 129 Q N -0.314 119.367 119.800 -0.199 0.000 2.493 129 Q HA -0.209 4.131 4.340 0.000 0.000 0.260 129 Q C 1.239 177.096 176.000 -0.238 0.000 0.905 129 Q CA 1.471 57.172 55.803 -0.170 0.000 1.140 129 Q CB -2.153 26.519 28.738 -0.110 0.000 1.435 129 Q HN 1.019 nan 8.270 nan 0.000 0.581 130 T N -3.243 111.053 114.554 -0.430 0.000 2.746 130 T HA 0.334 4.684 4.350 0.000 0.000 0.267 130 T C 0.846 175.297 174.700 -0.415 0.000 1.039 130 T CA 0.896 62.632 62.100 -0.607 0.000 1.142 130 T CB 0.076 68.113 68.868 -1.386 0.000 0.866 130 T HN 1.047 nan 8.240 nan 0.000 0.444 131 A N 1.225 123.873 122.820 -0.286 0.000 2.582 131 A HA 0.567 4.887 4.320 0.000 0.000 0.297 131 A C -0.280 177.355 177.584 0.085 0.000 1.059 131 A CA -0.504 51.555 52.037 0.037 0.000 0.705 131 A CB 0.653 19.877 19.000 0.374 0.000 1.279 131 A HN 0.575 nan 8.150 nan 0.000 0.404 132 D N 0.533 120.976 120.400 0.071 0.000 3.354 132 D HA -0.304 4.336 4.640 0.000 0.000 0.227 132 D C 0.435 176.768 176.300 0.054 0.000 1.739 132 D CA 1.824 55.862 54.000 0.064 0.000 1.054 132 D CB -0.293 40.558 40.800 0.085 0.000 0.739 132 D HN 0.862 nan 8.370 nan 0.000 0.860 133 E N -2.010 118.230 120.200 0.066 0.000 2.661 133 E HA 0.036 4.386 4.350 0.000 0.000 0.202 133 E C 1.671 178.320 176.600 0.081 0.000 0.911 133 E CA 0.044 56.479 56.400 0.059 0.000 1.581 133 E CB -0.022 29.700 29.700 0.037 0.000 1.667 133 E HN 0.405 nan 8.360 nan 0.000 0.911 134 K N 0.813 121.267 120.400 0.089 0.000 2.062 134 K HA -0.081 4.239 4.320 0.000 0.000 0.205 134 K C 1.957 178.653 176.600 0.159 0.000 1.051 134 K CA 1.429 57.779 56.287 0.105 0.000 0.941 134 K CB 0.132 32.691 32.500 0.097 0.000 0.719 134 K HN 0.085 nan 8.250 nan 0.000 0.440 135 Q N 0.341 120.253 119.800 0.186 0.000 2.172 135 Q HA -0.123 4.217 4.340 0.000 0.000 0.200 135 Q C 2.070 178.261 176.000 0.318 0.000 0.964 135 Q CA 0.780 56.752 55.803 0.283 0.000 0.855 135 Q CB 0.004 28.799 28.738 0.095 0.000 0.918 135 Q HN 0.237 nan 8.270 nan 0.000 0.444 136 L N 1.222 122.595 121.223 0.250 0.000 2.056 136 L HA -0.159 4.181 4.340 0.000 0.000 0.207 136 L C 2.181 179.159 176.870 0.180 0.000 1.078 136 L CA 1.849 56.839 54.840 0.250 0.000 0.749 136 L CB -0.426 41.713 42.059 0.133 0.000 0.901 136 L HN 0.173 nan 8.230 nan 0.000 0.433 137 E N -0.247 120.034 120.200 0.134 0.000 2.077 137 E HA -0.246 4.104 4.350 0.000 0.000 0.193 137 E C 2.204 178.857 176.600 0.088 0.000 0.989 137 E CA 1.880 58.334 56.400 0.089 0.000 0.800 137 E CB -0.225 29.517 29.700 0.071 0.000 0.746 137 E HN 0.658 nan 8.360 nan 0.000 0.452 138 I N 0.477 121.124 120.570 0.129 0.000 2.315 138 I HA -0.224 3.946 4.170 0.000 0.000 0.248 138 I C 2.245 178.409 176.117 0.079 0.000 1.117 138 I CA 0.292 61.645 61.300 0.088 0.000 1.404 138 I CB -0.095 37.969 38.000 0.107 0.000 1.071 138 I HN 0.226 nan 8.210 nan 0.000 0.419 139 L N 0.418 121.757 121.223 0.194 0.000 2.109 139 L HA -0.161 4.180 4.340 0.000 0.000 0.207 139 L C 2.512 179.434 176.870 0.087 0.000 1.086 139 L CA 1.737 56.688 54.840 0.185 0.000 0.760 139 L CB -0.933 41.341 42.059 0.358 0.000 0.910 139 L HN 0.270 nan 8.230 nan 0.000 0.437 140 Q N -0.994 118.855 119.800 0.082 0.000 2.050 140 Q HA -0.256 4.085 4.340 0.000 0.000 0.202 140 Q C 1.810 177.773 176.000 -0.062 0.000 0.980 140 Q CA 1.842 57.654 55.803 0.015 0.000 0.840 140 Q CB -0.162 28.590 28.738 0.024 0.000 0.898 140 Q HN 0.510 nan 8.270 nan 0.000 0.424 141 D N 0.815 121.183 120.400 -0.052 0.000 2.097 141 D HA -0.191 4.449 4.640 0.000 0.000 0.195 141 D C 1.808 178.009 176.300 -0.164 0.000 0.989 141 D CA 1.265 55.211 54.000 -0.091 0.000 0.827 141 D CB 0.021 40.785 40.800 -0.059 0.000 0.966 141 D HN 0.029 nan 8.370 nan 0.000 0.456 142 K N -0.529 119.777 120.400 -0.155 0.000 2.209 142 K HA -0.034 4.286 4.320 0.000 0.000 0.204 142 K C 1.615 177.976 176.600 -0.398 0.000 1.048 142 K CA 1.156 57.312 56.287 -0.217 0.000 0.940 142 K CB -0.131 32.280 32.500 -0.149 0.000 0.729 142 K HN 0.176 nan 8.250 nan 0.000 0.451 143 A N 0.847 123.423 122.820 -0.406 0.000 2.251 143 A HA 0.006 4.326 4.320 0.000 0.000 0.209 143 A C 0.420 177.403 177.584 -1.002 0.000 1.187 143 A CA -0.130 51.467 52.037 -0.733 0.000 0.823 143 A CB -0.363 18.475 19.000 -0.269 0.000 0.846 143 A HN 0.352 nan 8.150 nan 0.000 0.486 144 N N 0.318 118.650 118.700 -0.614 0.000 2.466 144 N HA 0.184 4.924 4.740 0.000 0.000 0.263 144 N C -0.541 174.732 175.510 -0.395 0.000 1.178 144 N CA -0.151 52.670 53.050 -0.381 0.000 0.983 144 N CB -0.398 37.974 38.487 -0.192 0.000 1.331 144 N HN 0.169 nan 8.380 nan 0.000 0.500 145 F N 1.373 121.322 119.950 -0.002 0.000 2.663 145 F HA 0.230 4.757 4.527 0.000 0.000 0.299 145 F C 1.303 177.155 175.800 0.088 0.000 1.143 145 F CA -0.338 57.686 58.000 0.041 0.000 1.387 145 F CB -0.411 38.652 39.000 0.104 0.000 1.019 145 F HN 0.350 nan 8.300 nan 0.000 0.523 146 R N 1.718 122.311 120.500 0.156 0.000 2.343 146 R HA 0.051 4.391 4.340 0.000 0.000 0.326 146 R C 0.362 176.732 176.300 0.117 0.000 1.055 146 R CA 0.585 56.753 56.100 0.114 0.000 0.961 146 R CB -0.688 29.646 30.300 0.057 0.000 0.978 146 R HN 0.570 nan 8.270 nan 0.000 0.443 147 N N 1.808 120.571 118.700 0.105 0.000 2.925 147 N HA -0.269 4.471 4.740 0.000 0.000 0.244 147 N C -0.840 174.724 175.510 0.091 0.000 1.000 147 N CA 0.446 53.537 53.050 0.068 0.000 0.895 147 N CB -0.966 37.551 38.487 0.050 0.000 1.119 147 N HN 0.384 nan 8.380 nan 0.000 0.569 148 F N 2.727 122.668 119.950 -0.015 0.000 2.412 148 F HA 0.365 4.892 4.527 0.000 0.000 0.348 148 F C 0.461 176.166 175.800 -0.159 0.000 1.102 148 F CA -0.143 57.826 58.000 -0.051 0.000 1.196 148 F CB 0.828 39.850 39.000 0.037 0.000 1.144 148 F HN -0.145 nan 8.300 nan 0.000 0.541 149 K N 8.109 127.871 120.400 -1.063 0.000 2.464 149 K HA 0.416 4.736 4.320 0.000 0.000 0.252 149 K C -2.608 173.221 176.600 -1.285 0.000 1.000 149 K CA -2.123 53.619 56.287 -0.908 0.000 0.951 149 K CB 0.916 33.139 32.500 -0.463 0.000 1.183 149 K HN 0.339 nan 8.250 nan 0.000 0.445 150 P HA -0.128 nan 4.420 nan 0.000 0.259 150 P C -1.074 176.049 177.300 -0.296 0.000 1.163 150 P CA 0.602 63.235 63.100 -0.779 0.000 0.760 150 P CB 0.413 31.706 31.700 -0.680 0.000 0.762 151 K N 4.803 125.182 120.400 -0.035 0.000 2.139 151 K HA 0.469 4.789 4.320 0.000 0.000 0.243 151 K C -2.372 174.273 176.600 0.076 0.000 0.983 151 K CA -2.263 54.033 56.287 0.014 0.000 0.890 151 K CB 0.228 32.748 32.500 0.032 0.000 1.090 151 K HN 0.209 nan 8.250 nan 0.000 0.445 152 P HA -0.084 nan 4.420 nan 0.000 0.264 152 P C -1.244 176.022 177.300 -0.057 0.000 1.183 152 P CA 0.486 63.590 63.100 0.006 0.000 0.763 152 P CB 0.248 31.946 31.700 -0.002 0.000 0.807 153 F N 2.915 122.671 119.950 -0.324 0.000 2.576 153 F HA 0.588 5.115 4.527 0.000 0.000 0.313 153 F C -0.798 174.889 175.800 -0.189 0.000 1.078 153 F CA -0.624 57.123 58.000 -0.421 0.000 0.921 153 F CB 1.835 40.250 39.000 -0.975 0.000 1.232 153 F HN 0.166 nan 8.300 nan 0.000 0.459 154 N N 6.262 124.405 118.700 -0.928 0.000 2.425 154 N HA 0.163 4.903 4.740 0.000 0.000 0.289 154 N C 0.151 175.237 175.510 -0.707 0.000 1.074 154 N CA -0.434 52.304 53.050 -0.520 0.000 0.905 154 N CB 1.714 40.041 38.487 -0.267 0.000 1.586 154 N HN 0.645 nan 8.380 nan 0.000 0.490 155 M N 2.354 121.759 119.600 -0.325 0.000 2.149 155 M HA -0.124 4.356 4.480 0.000 0.000 0.261 155 M C 1.810 178.052 176.300 -0.097 0.000 1.064 155 M CA 1.149 56.365 55.300 -0.139 0.000 1.102 155 M CB -0.894 31.756 32.600 0.084 0.000 1.369 155 M HN 0.636 nan 8.290 nan 0.000 0.408 156 L N 0.755 121.785 121.223 -0.321 0.000 2.017 156 L HA -0.141 4.199 4.340 0.000 0.000 0.208 156 L C 2.411 179.121 176.870 -0.267 0.000 1.073 156 L CA 1.937 56.493 54.840 -0.472 0.000 0.745 156 L CB -0.899 40.623 42.059 -0.894 0.000 0.894 156 L HN 0.279 nan 8.230 nan 0.000 0.432 157 E N -0.710 119.345 120.200 -0.241 0.000 2.085 157 E HA -0.291 4.059 4.350 0.000 0.000 0.194 157 E C 2.184 178.768 176.600 -0.027 0.000 0.994 157 E CA 1.527 57.841 56.400 -0.142 0.000 0.801 157 E CB -0.440 29.142 29.700 -0.196 0.000 0.743 157 E HN 0.517 nan 8.360 nan 0.000 0.453 158 F N 0.564 120.335 119.950 -0.298 0.000 2.102 158 F HA -0.193 4.334 4.527 0.000 0.000 0.298 158 F C 2.079 177.912 175.800 0.055 0.000 1.105 158 F CA 1.340 59.231 58.000 -0.182 0.000 1.239 158 F CB -1.009 37.803 39.000 -0.313 0.000 0.991 158 F HN 0.054 nan 8.300 nan 0.000 0.474 159 Y N -0.002 120.315 120.300 0.027 0.000 2.181 159 Y HA -0.246 4.304 4.550 0.000 0.000 0.288 159 Y C 2.513 178.464 175.900 0.086 0.000 1.146 159 Y CA 1.519 59.625 58.100 0.010 0.000 1.164 159 Y CB -0.483 38.018 38.460 0.069 0.000 0.982 159 Y HN 0.075 nan 8.280 nan 0.000 0.515 160 D N -0.162 120.418 120.400 0.300 0.000 2.144 160 D HA -0.140 4.500 4.640 0.000 0.000 0.199 160 D C 2.125 178.515 176.300 0.151 0.000 0.984 160 D CA 1.297 55.470 54.000 0.288 0.000 0.834 160 D CB -0.001 40.940 40.800 0.236 0.000 0.955 160 D HN 0.135 nan 8.370 nan 0.000 0.465 161 R N -0.511 120.054 120.500 0.108 0.000 2.055 161 R HA 0.132 4.472 4.340 0.000 0.000 0.226 161 R C 2.163 178.494 176.300 0.053 0.000 1.135 161 R CA 1.140 57.291 56.100 0.086 0.000 0.959 161 R CB -0.164 30.204 30.300 0.113 0.000 0.854 161 R HN 0.142 nan 8.270 nan 0.000 0.431 162 A N 0.681 123.504 122.820 0.005 0.000 2.021 162 A HA 0.147 4.467 4.320 0.000 0.000 0.216 162 A C 1.208 178.752 177.584 -0.067 0.000 1.163 162 A CA 0.584 52.594 52.037 -0.045 0.000 0.676 162 A CB -0.409 18.489 19.000 -0.170 0.000 0.818 162 A HN 0.374 nan 8.150 nan 0.000 0.453 163 G N -0.348 108.431 108.800 -0.035 0.000 2.562 163 G HA2 0.255 4.215 3.960 0.000 0.000 0.233 163 G HA3 0.255 4.215 3.960 0.000 0.000 0.233 163 G C -0.156 174.737 174.900 -0.012 0.000 1.266 163 G CA -0.264 44.815 45.100 -0.035 0.000 0.852 163 G HN 0.518 nan 8.290 nan 0.000 0.581 164 H N 0.305 119.374 119.070 -0.000 0.000 2.972 164 H HA 0.001 4.557 4.556 0.000 0.000 0.343 164 H C -0.239 175.155 175.328 0.110 0.000 1.054 164 H CA 0.428 56.507 56.048 0.051 0.000 1.412 164 H CB 1.178 30.970 29.762 0.050 0.000 1.385 164 H HN 0.404 nan 8.280 nan 0.000 0.600 165 D N 2.470 122.958 120.400 0.147 0.000 2.280 165 D HA -0.024 4.616 4.640 0.000 0.000 0.243 165 D C 1.070 177.308 176.300 -0.103 0.000 1.129 165 D CA -0.484 53.554 54.000 0.063 0.000 0.848 165 D CB 0.835 41.652 40.800 0.029 0.000 1.107 165 D HN 0.398 nan 8.370 nan 0.000 0.471 166 I N 4.642 124.940 120.570 -0.454 0.000 2.423 166 I HA -0.166 4.004 4.170 0.000 0.000 0.254 166 I C 2.097 177.996 176.117 -0.363 0.000 1.151 166 I CA 1.380 62.227 61.300 -0.755 0.000 1.421 166 I CB -0.072 37.081 38.000 -1.412 0.000 1.079 166 I HN 0.434 nan 8.210 nan 0.000 0.431 167 R N 0.165 120.539 120.500 -0.210 0.000 2.148 167 R HA -0.107 4.233 4.340 0.000 0.000 0.227 167 R C 1.952 178.209 176.300 -0.072 0.000 1.103 167 R CA 1.442 57.476 56.100 -0.111 0.000 0.983 167 R CB -0.027 30.242 30.300 -0.052 0.000 0.874 167 R HN 0.528 nan 8.270 nan 0.000 0.451 168 E N -0.565 119.603 120.200 -0.053 0.000 2.216 168 E HA -0.051 4.299 4.350 0.000 0.000 0.192 168 E C 1.949 178.535 176.600 -0.024 0.000 0.973 168 E CA 0.663 57.056 56.400 -0.012 0.000 0.851 168 E CB 0.121 29.839 29.700 0.030 0.000 0.804 168 E HN 0.342 nan 8.360 nan 0.000 0.477 169 M N 0.618 120.192 119.600 -0.043 0.000 2.200 169 M HA -0.025 4.455 4.480 0.000 0.000 0.265 169 M C 0.781 176.996 176.300 -0.142 0.000 1.066 169 M CA 0.450 55.714 55.300 -0.061 0.000 1.127 169 M CB 0.036 32.624 32.600 -0.019 0.000 1.379 169 M HN 0.041 nan 8.290 nan 0.000 0.420 170 L N 1.743 122.858 121.223 -0.180 0.000 2.407 170 L HA 0.078 4.418 4.340 0.000 0.000 0.282 170 L C 0.660 177.456 176.870 -0.122 0.000 1.110 170 L CA 0.381 55.101 54.840 -0.199 0.000 0.863 170 L CB 0.203 42.106 42.059 -0.261 0.000 1.207 170 L HN 0.210 nan 8.230 nan 0.000 0.454 171 L N 2.624 123.767 121.223 -0.132 0.000 2.202 171 L HA 0.183 4.523 4.340 0.000 0.000 0.205 171 L C 0.677 177.576 176.870 0.048 0.000 1.083 171 L CA 0.593 55.382 54.840 -0.086 0.000 0.790 171 L CB -0.312 41.544 42.059 -0.338 0.000 0.942 171 L HN 0.790 nan 8.230 nan 0.000 0.452 172 S N -1.972 113.745 115.700 0.028 0.000 2.547 172 S HA 0.497 4.967 4.470 0.000 0.000 0.270 172 S C -1.236 173.403 174.600 0.064 0.000 1.150 172 S CA -1.051 57.208 58.200 0.100 0.000 0.850 172 S CB 2.173 65.518 63.200 0.242 0.000 1.118 172 S HN 0.083 nan 8.310 nan 0.000 0.461 173 c N 2.535 121.138 118.600 0.005 0.000 2.752 173 c HA 0.834 5.405 4.570 0.000 0.000 0.360 173 c C -2.163 171.792 174.090 -0.225 0.000 1.081 173 c CA -0.439 55.884 56.329 -0.010 0.000 1.272 173 c CB -0.279 42.264 42.510 0.056 0.000 1.754 173 c HN 0.835 nan 8.230 nan 0.000 0.483 174 F N 4.770 124.735 119.950 0.025 0.000 2.581 174 F HA 0.641 5.168 4.527 0.000 0.000 0.311 174 F C -0.669 175.157 175.800 0.044 0.000 1.113 174 F CA -0.548 57.476 58.000 0.039 0.000 0.935 174 F CB 1.881 40.888 39.000 0.011 0.000 1.232 174 F HN 0.590 nan 8.300 nan 0.000 0.445 175 F N 4.153 124.155 119.950 0.086 0.000 2.499 175 F HA 0.535 5.062 4.527 0.000 0.000 0.333 175 F C 0.361 176.186 175.800 0.042 0.000 1.138 175 F CA -0.920 57.078 58.000 -0.003 0.000 0.945 175 F CB 0.974 39.977 39.000 0.005 0.000 1.181 175 F HN 0.549 nan 8.300 nan 0.000 0.435 176 R N 4.476 124.610 120.500 -0.610 0.000 3.225 176 R HA -0.216 4.124 4.340 0.000 0.000 0.245 176 R C 1.034 177.282 176.300 -0.086 0.000 0.928 176 R CA 0.881 56.744 56.100 -0.396 0.000 0.632 176 R CB -1.892 28.107 30.300 -0.501 0.000 1.038 176 R HN 1.424 nan 8.270 nan 0.000 0.461 177 G N -0.743 108.061 108.800 0.007 0.000 2.189 177 G HA2 -0.323 3.637 3.960 0.000 0.000 0.267 177 G HA3 -0.323 3.637 3.960 0.000 0.000 0.267 177 G C -0.064 174.983 174.900 0.245 0.000 0.975 177 G CA 0.720 45.876 45.100 0.093 0.000 0.644 177 G HN 0.444 nan 8.290 nan 0.000 0.537 178 E N 0.450 120.806 120.200 0.260 0.000 2.166 178 E HA 0.348 4.698 4.350 0.000 0.000 0.275 178 E C 0.232 176.903 176.600 0.118 0.000 0.941 178 E CA -0.599 55.930 56.400 0.215 0.000 0.784 178 E CB 1.404 31.201 29.700 0.161 0.000 1.115 178 E HN 0.542 nan 8.360 nan 0.000 0.399 179 Q N 2.165 121.903 119.800 -0.102 0.000 2.297 179 Q HA 0.157 4.497 4.340 0.000 0.000 0.267 179 Q C -0.551 175.275 176.000 -0.291 0.000 1.006 179 Q CA -0.227 55.179 55.803 -0.661 0.000 0.896 179 Q CB 0.297 28.731 28.738 -0.506 0.000 1.186 179 Q HN 0.658 nan 8.270 nan 0.000 0.392 180 c N 2.203 120.638 118.600 -0.275 0.000 2.407 180 c HA 0.949 5.519 4.570 0.000 0.000 0.366 180 c C 0.211 174.295 174.090 -0.009 0.000 1.213 180 c CA -0.722 55.587 56.329 -0.032 0.000 2.011 180 c CB 0.917 43.495 42.510 0.114 0.000 2.306 180 c HN 0.926 nan 8.230 nan 0.000 0.527 181 S N -0.784 114.975 115.700 0.098 0.000 2.732 181 S HA 0.659 5.129 4.470 0.000 0.000 0.293 181 S C -2.621 172.129 174.600 0.249 0.000 1.159 181 S CA -0.971 57.295 58.200 0.111 0.000 0.847 181 S CB 1.036 64.266 63.200 0.050 0.000 1.169 181 S HN 0.407 nan 8.310 nan 0.000 0.501 182 P HA -0.055 nan 4.420 nan 0.000 0.219 182 P C 1.055 178.503 177.300 0.246 0.000 1.146 182 P CA 1.093 64.286 63.100 0.154 0.000 0.808 182 P CB 0.009 31.706 31.700 -0.005 0.000 0.779 183 E N -0.390 119.907 120.200 0.161 0.000 2.265 183 E HA -0.155 4.195 4.350 0.000 0.000 0.196 183 E C 1.044 177.713 176.600 0.116 0.000 0.996 183 E CA 0.949 57.420 56.400 0.118 0.000 0.832 183 E CB -0.667 29.073 29.700 0.067 0.000 0.756 183 E HN 0.437 nan 8.360 nan 0.000 0.491 184 D N -0.431 120.056 120.400 0.146 0.000 2.349 184 D HA -0.001 4.639 4.640 0.000 0.000 0.224 184 D C -0.201 176.005 176.300 -0.156 0.000 1.029 184 D CA 0.302 54.286 54.000 -0.026 0.000 0.879 184 D CB -0.007 40.774 40.800 -0.031 0.000 0.906 184 D HN 0.072 nan 8.370 nan 0.000 0.528 185 F N 1.007 121.019 119.950 0.104 0.000 2.436 185 F HA 0.277 4.804 4.527 0.000 0.000 0.340 185 F C 0.748 176.625 175.800 0.128 0.000 1.113 185 F CA -0.947 57.143 58.000 0.150 0.000 1.022 185 F CB 1.788 40.889 39.000 0.167 0.000 1.128 185 F HN -0.481 nan 8.300 nan 0.000 0.466 186 K N 2.967 123.507 120.400 0.232 0.000 2.185 186 K HA 0.543 4.864 4.320 0.000 0.000 0.269 186 K C -0.959 175.699 176.600 0.097 0.000 0.987 186 K CA -0.583 55.784 56.287 0.134 0.000 0.865 186 K CB 1.306 33.835 32.500 0.047 0.000 1.090 186 K HN 0.473 nan 8.250 nan 0.000 0.450 187 V N 4.401 124.319 119.914 0.006 0.000 2.572 187 V HA 0.120 4.240 4.120 0.000 0.000 0.291 187 V C -0.210 175.683 176.094 -0.336 0.000 1.039 187 V CA -0.214 61.908 62.300 -0.298 0.000 1.055 187 V CB 1.146 32.789 31.823 -0.300 0.000 0.969 187 V HN 0.548 nan 8.190 nan 0.000 0.482 188 V N 6.756 126.356 119.914 -0.524 0.000 2.668 188 V HA 0.545 4.666 4.120 0.000 0.000 0.304 188 V C -1.025 174.771 176.094 -0.497 0.000 1.071 188 V CA -0.571 61.526 62.300 -0.337 0.000 0.894 188 V CB 1.732 33.467 31.823 -0.147 0.000 1.008 188 V HN 0.634 nan 8.190 nan 0.000 0.425 189 F N 5.215 125.076 119.950 -0.148 0.000 2.410 189 F HA 0.698 5.225 4.527 0.000 0.000 0.348 189 F C 1.056 176.788 175.800 -0.113 0.000 1.106 189 F CA 0.469 58.361 58.000 -0.179 0.000 1.163 189 F CB 1.850 40.758 39.000 -0.152 0.000 1.129 189 F HN 0.716 nan 8.300 nan 0.000 0.516 190 T N -0.487 114.029 114.554 -0.063 0.000 2.693 190 T HA 0.364 4.714 4.350 0.000 0.000 0.278 190 T C 0.941 175.379 174.700 -0.436 0.000 0.994 190 T CA -0.949 61.057 62.100 -0.157 0.000 1.033 190 T CB 1.479 70.267 68.868 -0.133 0.000 1.342 190 T HN 0.574 nan 8.240 nan 0.000 0.538 191 R N -1.133 118.934 120.500 -0.721 0.000 2.237 191 R HA 0.017 4.357 4.340 0.000 0.000 0.219 191 R C 1.144 177.152 176.300 -0.487 0.000 1.080 191 R CA 1.010 56.657 56.100 -0.755 0.000 0.995 191 R CB -0.398 29.480 30.300 -0.703 0.000 0.875 191 R HN 0.684 nan 8.270 nan 0.000 0.462 192 Y N -0.709 119.399 120.300 -0.320 0.000 2.544 192 Y HA 0.146 4.696 4.550 0.000 0.000 0.286 192 Y C 1.554 177.243 175.900 -0.352 0.000 1.141 192 Y CA 0.827 58.766 58.100 -0.268 0.000 1.299 192 Y CB 0.500 38.819 38.460 -0.234 0.000 1.030 192 Y HN 0.336 nan 8.280 nan 0.000 0.543 193 G N -0.064 108.500 108.800 -0.394 0.000 2.594 193 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 193 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 193 G C -0.501 174.181 174.900 -0.364 0.000 1.163 193 G CA -0.532 44.166 45.100 -0.670 0.000 1.074 193 G HN 0.062 nan 8.290 nan 0.000 0.589 194 K N 0.945 121.165 120.400 -0.300 0.000 2.292 194 K HA 0.530 4.850 4.320 0.000 0.000 0.290 194 K C -0.077 176.099 176.600 -0.706 0.000 1.083 194 K CA -0.199 55.737 56.287 -0.586 0.000 0.918 194 K CB -0.499 31.792 32.500 -0.348 0.000 1.089 194 K HN 0.631 nan 8.250 nan 0.000 0.473 195 c N 3.168 121.238 118.600 -0.882 0.000 2.803 195 c HA 0.601 5.171 4.570 0.000 0.000 0.389 195 c C -1.005 172.330 174.090 -1.257 0.000 1.433 195 c CA -0.946 54.859 56.329 -0.874 0.000 1.714 195 c CB 0.506 42.717 42.510 -0.498 0.000 2.106 195 c HN 0.710 nan 8.230 nan 0.000 0.480 196 Y N -0.803 119.167 120.300 -0.550 0.000 2.492 196 Y HA 0.534 5.084 4.550 0.000 0.000 0.346 196 Y C 0.143 176.029 175.900 -0.022 0.000 0.997 196 Y CA -0.471 57.453 58.100 -0.294 0.000 1.025 196 Y CB 1.795 40.042 38.460 -0.356 0.000 1.263 196 Y HN 0.490 nan 8.280 nan 0.000 0.454 197 T N 3.701 118.424 114.554 0.282 0.000 2.809 197 T HA 0.354 4.704 4.350 0.000 0.000 0.284 197 T C -1.326 173.491 174.700 0.195 0.000 0.992 197 T CA -0.551 61.702 62.100 0.255 0.000 0.957 197 T CB 0.448 69.398 68.868 0.137 0.000 0.942 197 T HN 0.406 nan 8.240 nan 0.000 0.439 198 F N 4.039 123.984 119.950 -0.008 0.000 2.394 198 F HA 0.474 5.001 4.527 0.000 0.000 0.340 198 F C 0.990 176.672 175.800 -0.197 0.000 1.105 198 F CA -0.597 57.181 58.000 -0.369 0.000 1.124 198 F CB 0.611 39.385 39.000 -0.377 0.000 1.145 198 F HN 0.678 nan 8.300 nan 0.000 0.505 199 N N 3.254 121.272 118.700 -1.138 0.000 2.738 199 N HA -0.237 4.503 4.740 0.000 0.000 0.249 199 N C 0.471 175.775 175.510 -0.342 0.000 1.047 199 N CA 0.722 53.297 53.050 -0.792 0.000 0.707 199 N CB -1.053 37.016 38.487 -0.697 0.000 0.937 199 N HN 0.842 nan 8.380 nan 0.000 0.545 200 A N 0.572 123.243 122.820 -0.249 0.000 2.019 200 A HA 0.331 4.651 4.320 0.000 0.000 0.219 200 A C 1.697 179.228 177.584 -0.088 0.000 1.164 200 A CA 1.407 53.379 52.037 -0.108 0.000 0.644 200 A CB -0.683 18.288 19.000 -0.049 0.000 0.805 200 A HN 1.792 nan 8.150 nan 0.000 0.449 201 G N -1.483 107.240 108.800 -0.129 0.000 2.422 201 G HA2 -0.141 3.819 3.960 0.000 0.000 0.290 201 G HA3 -0.141 3.819 3.960 0.000 0.000 0.290 201 G C 0.149 175.023 174.900 -0.044 0.000 1.059 201 G CA 0.478 45.525 45.100 -0.089 0.000 1.242 201 G HN 0.433 nan 8.290 nan 0.000 0.520 202 Q N -0.655 119.119 119.800 -0.045 0.000 2.010 202 Q HA 0.045 4.385 4.340 0.000 0.000 0.215 202 Q C 1.351 177.338 176.000 -0.020 0.000 0.697 202 Q CA 0.460 56.253 55.803 -0.017 0.000 0.855 202 Q CB -0.045 28.695 28.738 0.002 0.000 1.235 202 Q HN 0.515 nan 8.270 nan 0.000 0.442 203 D N 1.109 121.487 120.400 -0.036 0.000 2.407 203 D HA 0.017 4.657 4.640 0.000 0.000 0.234 203 D C 1.029 177.311 176.300 -0.030 0.000 1.029 203 D CA 1.218 55.199 54.000 -0.031 0.000 0.937 203 D CB -0.294 40.479 40.800 -0.046 0.000 0.882 203 D HN 0.518 nan 8.370 nan 0.000 0.531 204 G N 0.730 109.512 108.800 -0.029 0.000 2.225 204 G HA2 -0.351 3.609 3.960 0.000 0.000 0.267 204 G HA3 -0.351 3.609 3.960 0.000 0.000 0.267 204 G C 0.321 175.202 174.900 -0.032 0.000 1.024 204 G CA 0.584 45.670 45.100 -0.024 0.000 0.784 204 G HN 0.416 nan 8.290 nan 0.000 0.507 205 K N 0.298 120.667 120.400 -0.050 0.000 2.127 205 K HA 0.491 4.811 4.320 0.000 0.000 0.240 205 K C -1.587 174.979 176.600 -0.057 0.000 1.024 205 K CA -1.290 54.962 56.287 -0.057 0.000 0.918 205 K CB 0.498 32.946 32.500 -0.086 0.000 1.108 205 K HN 0.156 nan 8.250 nan 0.000 0.485 206 P HA 0.019 nan 4.420 nan 0.000 0.269 206 P C -0.826 176.440 177.300 -0.056 0.000 1.209 206 P CA -0.052 63.024 63.100 -0.039 0.000 0.776 206 P CB 0.551 32.237 31.700 -0.023 0.000 0.876 207 R N 2.787 123.266 120.500 -0.035 0.000 2.288 207 R HA 0.209 4.549 4.340 0.000 0.000 0.330 207 R C 0.031 176.322 176.300 -0.015 0.000 1.069 207 R CA -0.393 55.688 56.100 -0.033 0.000 0.941 207 R CB -0.277 30.016 30.300 -0.011 0.000 0.998 207 R HN 0.489 nan 8.270 nan 0.000 0.452 208 L N 7.058 128.249 121.223 -0.053 0.000 2.418 208 L HA 0.171 4.511 4.340 0.000 0.000 0.274 208 L C 0.098 177.053 176.870 0.142 0.000 1.135 208 L CA -0.220 54.612 54.840 -0.014 0.000 0.870 208 L CB 0.202 42.061 42.059 -0.333 0.000 1.154 208 L HN 0.584 nan 8.230 nan 0.000 0.462 209 I N 0.458 121.156 120.570 0.213 0.000 2.785 209 I HA 0.729 4.899 4.170 0.000 0.000 0.302 209 I C 0.015 176.270 176.117 0.231 0.000 1.069 209 I CA -0.470 60.944 61.300 0.191 0.000 1.045 209 I CB 2.251 40.303 38.000 0.087 0.000 1.236 209 I HN 0.463 nan 8.210 nan 0.000 0.429 210 T N 1.927 116.584 114.554 0.173 0.000 2.856 210 T HA 0.574 4.924 4.350 0.000 0.000 0.283 210 T C 0.311 175.041 174.700 0.050 0.000 1.008 210 T CA -0.770 61.411 62.100 0.134 0.000 0.997 210 T CB 1.698 70.694 68.868 0.214 0.000 0.992 210 T HN 0.657 nan 8.240 nan 0.000 0.454 211 M N 0.648 120.273 119.600 0.042 0.000 2.638 211 M HA 0.310 4.791 4.480 0.000 0.000 0.256 211 M C 0.325 176.645 176.300 0.034 0.000 1.282 211 M CA 0.557 55.871 55.300 0.023 0.000 1.155 211 M CB -0.126 32.483 32.600 0.015 0.000 1.345 211 M HN 0.626 nan 8.290 nan 0.000 0.523 212 K N 0.044 120.476 120.400 0.053 0.000 2.400 212 K HA 0.623 4.943 4.320 0.000 0.000 0.246 212 K C 0.023 176.694 176.600 0.118 0.000 0.995 212 K CA -0.768 55.557 56.287 0.064 0.000 0.840 212 K CB 1.759 34.280 32.500 0.035 0.000 1.293 212 K HN 0.031 nan 8.250 nan 0.000 0.445 213 G N -0.226 108.648 108.800 0.124 0.000 2.467 213 G HA2 0.522 4.482 3.960 0.000 0.000 0.257 213 G HA3 0.522 4.482 3.960 0.000 0.000 0.257 213 G C -0.034 174.957 174.900 0.152 0.000 1.227 213 G CA 0.280 45.494 45.100 0.190 0.000 0.835 213 G HN 0.778 nan 8.290 nan 0.000 0.556 214 G N 0.041 108.985 108.800 0.240 0.000 2.459 214 G HA2 0.251 4.211 3.960 0.000 0.000 0.685 214 G HA3 0.251 4.211 3.960 0.000 0.000 0.685 214 G C 0.849 175.579 174.900 -0.283 0.000 1.303 214 G CA 0.514 45.580 45.100 -0.057 0.000 0.907 214 G HN 1.578 nan 8.290 nan 0.000 0.632 215 T N -1.703 112.367 114.554 -0.808 0.000 2.778 215 T HA -0.023 4.327 4.350 0.000 0.000 0.269 215 T C 2.621 177.193 174.700 -0.213 0.000 1.050 215 T CA 2.365 64.081 62.100 -0.639 0.000 1.137 215 T CB -0.578 67.994 68.868 -0.493 0.000 0.860 215 T HN 1.974 nan 8.240 nan 0.000 0.468 216 G N 1.332 110.026 108.800 -0.177 0.000 2.442 216 G HA2 -0.186 3.775 3.960 0.000 0.000 0.219 216 G HA3 -0.186 3.775 3.960 0.000 0.000 0.219 216 G C 1.498 176.313 174.900 -0.142 0.000 1.141 216 G CA 0.505 45.526 45.100 -0.131 0.000 0.763 216 G HN 0.618 nan 8.290 nan 0.000 0.554 217 N N 0.652 119.300 118.700 -0.086 0.000 2.314 217 N HA 0.142 4.882 4.740 0.000 0.000 0.200 217 N C 0.951 176.363 175.510 -0.163 0.000 1.135 217 N CA 0.053 53.034 53.050 -0.115 0.000 0.835 217 N CB 0.461 38.963 38.487 0.026 0.000 0.989 217 N HN 0.331 nan 8.380 nan 0.000 0.478 218 G N 0.268 109.000 108.800 -0.115 0.000 3.119 218 G HA2 0.508 4.468 3.960 0.000 0.000 0.206 218 G HA3 0.508 4.468 3.960 0.000 0.000 0.206 218 G C -1.225 173.553 174.900 -0.204 0.000 1.313 218 G CA -0.398 44.703 45.100 0.003 0.000 1.010 218 G HN 0.075 nan 8.290 nan 0.000 0.578 219 L N -0.383 120.914 121.223 0.124 0.000 2.325 219 L HA 0.759 5.099 4.340 0.000 0.000 0.278 219 L C -0.384 176.550 176.870 0.106 0.000 1.023 219 L CA -0.623 54.283 54.840 0.111 0.000 0.811 219 L CB 1.900 44.012 42.059 0.089 0.000 1.249 219 L HN 0.614 nan 8.230 nan 0.000 0.431 220 E N 5.368 125.608 120.200 0.066 0.000 2.260 220 E HA 0.542 4.892 4.350 0.000 0.000 0.266 220 E C -1.604 175.030 176.600 0.056 0.000 0.887 220 E CA -0.622 55.816 56.400 0.064 0.000 0.777 220 E CB 1.450 31.190 29.700 0.067 0.000 1.205 220 E HN 0.677 nan 8.360 nan 0.000 0.414 221 I N 1.064 121.634 120.570 -0.001 0.000 2.689 221 I HA 0.591 4.761 4.170 0.000 0.000 0.299 221 I C -1.007 175.067 176.117 -0.072 0.000 1.059 221 I CA -1.179 60.104 61.300 -0.029 0.000 1.055 221 I CB 2.193 40.144 38.000 -0.083 0.000 1.243 221 I HN 0.538 nan 8.210 nan 0.000 0.425 222 M N 6.268 125.825 119.600 -0.071 0.000 2.243 222 M HA 0.628 5.108 4.480 0.000 0.000 0.324 222 M C -2.061 174.134 176.300 -0.175 0.000 1.031 222 M CA -0.512 54.726 55.300 -0.104 0.000 0.949 222 M CB 1.598 34.168 32.600 -0.049 0.000 1.615 222 M HN 0.692 nan 8.290 nan 0.000 0.430 223 L N 2.870 123.966 121.223 -0.212 0.000 2.341 223 L HA 0.590 4.930 4.340 0.000 0.000 0.267 223 L C -0.948 175.805 176.870 -0.195 0.000 1.009 223 L CA -0.951 53.747 54.840 -0.237 0.000 0.819 223 L CB 2.078 43.945 42.059 -0.320 0.000 1.323 223 L HN 0.602 nan 8.230 nan 0.000 0.425 224 D N 1.503 121.808 120.400 -0.158 0.000 2.381 224 D HA 0.276 4.916 4.640 0.000 0.000 0.235 224 D C 0.595 176.861 176.300 -0.056 0.000 1.068 224 D CA -0.512 53.432 54.000 -0.094 0.000 0.832 224 D CB 1.550 42.324 40.800 -0.043 0.000 1.101 224 D HN 0.518 nan 8.370 nan 0.000 0.515 225 I N 0.188 120.708 120.570 -0.083 0.000 3.291 225 I HA 0.060 4.230 4.170 0.000 0.000 0.279 225 I C 0.156 176.296 176.117 0.038 0.000 1.294 225 I CA -0.016 61.249 61.300 -0.060 0.000 1.428 225 I CB -0.462 37.496 38.000 -0.071 0.000 1.070 225 I HN 0.373 nan 8.210 nan 0.000 0.478 226 Q N 1.786 121.633 119.800 0.077 0.000 2.457 226 Q HA -0.221 4.119 4.340 0.000 0.000 0.333 226 Q C 0.578 176.711 176.000 0.222 0.000 1.448 226 Q CA 0.527 56.473 55.803 0.239 0.000 0.891 226 Q CB -1.440 27.534 28.738 0.394 0.000 1.142 226 Q HN 0.705 nan 8.270 nan 0.000 0.375 227 Q N 0.595 120.321 119.800 -0.123 0.000 2.291 227 Q HA -0.171 4.169 4.340 0.000 0.000 0.206 227 Q C 1.556 177.560 176.000 0.006 0.000 0.976 227 Q CA 1.413 56.998 55.803 -0.362 0.000 0.875 227 Q CB 0.090 28.499 28.738 -0.549 0.000 0.927 227 Q HN 0.680 nan 8.270 nan 0.000 0.450 228 D N 0.317 120.808 120.400 0.151 0.000 2.310 228 D HA -0.179 4.461 4.640 0.000 0.000 0.212 228 D C 1.058 177.509 176.300 0.252 0.000 0.965 228 D CA 0.863 54.986 54.000 0.205 0.000 0.879 228 D CB -0.006 40.952 40.800 0.263 0.000 0.921 228 D HN 0.186 nan 8.370 nan 0.000 0.510 229 E N -0.625 119.772 120.200 0.328 0.000 2.481 229 E HA 0.009 4.359 4.350 0.000 0.000 0.198 229 E C -0.206 176.633 176.600 0.398 0.000 1.027 229 E CA -0.388 56.215 56.400 0.339 0.000 0.900 229 E CB 0.092 29.945 29.700 0.255 0.000 0.993 229 E HN 0.298 nan 8.360 nan 0.000 0.482 230 Y N 0.813 121.209 120.300 0.159 0.000 2.610 230 Y HA -0.031 4.519 4.550 0.000 0.000 0.332 230 Y C 0.678 176.589 175.900 0.019 0.000 1.201 230 Y CA -0.490 57.679 58.100 0.116 0.000 1.465 230 Y CB 0.161 38.657 38.460 0.060 0.000 1.283 230 Y HN -0.010 nan 8.280 nan 0.000 0.563 231 L N 7.302 128.579 121.223 0.090 0.000 2.410 231 L HA 0.316 4.656 4.340 0.000 0.000 0.273 231 L C -2.216 174.559 176.870 -0.158 0.000 1.152 231 L CA -1.469 53.358 54.840 -0.022 0.000 0.855 231 L CB 0.162 42.264 42.059 0.071 0.000 1.129 231 L HN 0.444 nan 8.230 nan 0.000 0.463 232 P HA 0.013 nan 4.420 nan 0.000 0.265 232 P C -1.229 175.840 177.300 -0.385 0.000 1.187 232 P CA 0.015 62.861 63.100 -0.423 0.000 0.766 232 P CB 0.492 31.773 31.700 -0.698 0.000 0.820 233 V N 4.836 124.682 119.914 -0.114 0.000 2.313 233 V HA 0.173 4.293 4.120 0.000 0.000 0.278 233 V C -0.146 176.111 176.094 0.272 0.000 1.017 233 V CA -0.150 62.179 62.300 0.049 0.000 0.823 233 V CB 0.793 32.741 31.823 0.208 0.000 1.010 233 V HN 0.711 nan 8.190 nan 0.000 0.443 234 W N 3.557 124.912 121.300 0.092 0.000 3.005 234 W HA 0.651 5.311 4.660 0.000 0.000 0.374 234 W C 0.756 177.329 176.519 0.089 0.000 1.076 234 W CA -0.248 57.141 57.345 0.073 0.000 1.794 234 W CB 0.608 30.097 29.460 0.049 0.000 1.113 234 W HN 0.678 nan 8.180 nan 0.000 0.584 235 G N 0.391 109.378 108.800 0.313 0.000 2.554 235 G HA2 0.456 4.417 3.960 0.000 0.000 0.306 235 G HA3 0.456 4.417 3.960 0.000 0.000 0.306 235 G C -1.504 173.538 174.900 0.236 0.000 1.320 235 G CA -0.781 44.465 45.100 0.243 0.000 0.800 235 G HN -0.113 nan 8.290 nan 0.000 0.481 236 E N 0.598 120.907 120.200 0.182 0.000 2.141 236 E HA 0.514 4.864 4.350 0.000 0.000 0.259 236 E C -0.455 176.181 176.600 0.060 0.000 0.883 236 E CA -0.667 55.804 56.400 0.119 0.000 0.744 236 E CB 1.792 31.595 29.700 0.171 0.000 1.150 236 E HN 0.643 nan 8.360 nan 0.000 0.420 237 T N -1.244 113.324 114.554 0.024 0.000 2.887 237 T HA 0.235 4.585 4.350 0.000 0.000 0.292 237 T C 0.389 175.095 174.700 0.010 0.000 1.087 237 T CA -0.804 61.318 62.100 0.037 0.000 1.009 237 T CB 1.594 70.499 68.868 0.062 0.000 1.203 237 T HN 0.031 nan 8.240 nan 0.000 0.518 238 D N 0.342 120.765 120.400 0.039 0.000 2.219 238 D HA -0.022 4.618 4.640 0.000 0.000 0.205 238 D C 1.480 177.793 176.300 0.022 0.000 0.970 238 D CA 1.109 55.121 54.000 0.021 0.000 0.851 238 D CB 0.074 40.906 40.800 0.054 0.000 0.943 238 D HN 0.656 nan 8.370 nan 0.000 0.488 239 E N -0.169 120.080 120.200 0.082 0.000 2.435 239 E HA 0.004 4.354 4.350 0.000 0.000 0.195 239 E C 0.741 177.390 176.600 0.081 0.000 1.029 239 E CA 0.231 56.704 56.400 0.121 0.000 0.865 239 E CB 0.134 29.986 29.700 0.254 0.000 0.833 239 E HN 0.290 nan 8.360 nan 0.000 0.510 240 T N -1.680 112.891 114.554 0.028 0.000 2.943 240 T HA 0.644 4.994 4.350 0.000 0.000 0.284 240 T C 0.121 174.760 174.700 -0.102 0.000 1.015 240 T CA -0.771 61.325 62.100 -0.006 0.000 1.042 240 T CB 1.798 70.671 68.868 0.009 0.000 1.055 240 T HN -0.006 nan 8.240 nan 0.000 0.500 241 S N 0.480 116.131 115.700 -0.082 0.000 2.546 241 S HA 0.594 5.064 4.470 0.000 0.000 0.274 241 S C -0.490 174.116 174.600 0.011 0.000 1.121 241 S CA -0.914 57.205 58.200 -0.137 0.000 0.887 241 S CB 1.102 64.297 63.200 -0.008 0.000 1.094 241 S HN 0.482 nan 8.310 nan 0.000 0.474 242 F N 0.670 120.674 119.950 0.090 0.000 2.776 242 F HA 0.413 4.940 4.527 0.000 0.000 0.300 242 F C 0.849 176.704 175.800 0.091 0.000 1.116 242 F CA -0.440 57.612 58.000 0.087 0.000 1.375 242 F CB -0.577 38.464 39.000 0.068 0.000 1.109 242 F HN 0.517 nan 8.300 nan 0.000 0.585 243 E N 0.100 120.442 120.200 0.238 0.000 2.250 243 E HA 0.651 5.001 4.350 0.000 0.000 0.269 243 E C -0.372 176.354 176.600 0.210 0.000 1.018 243 E CA -0.542 55.965 56.400 0.178 0.000 0.873 243 E CB 1.342 31.115 29.700 0.122 0.000 1.134 243 E HN 0.045 nan 8.360 nan 0.000 0.403 244 A N 1.091 123.993 122.820 0.137 0.000 2.355 244 A HA 0.891 5.211 4.320 0.000 0.000 0.317 244 A C 0.123 177.741 177.584 0.056 0.000 1.094 244 A CA 0.176 52.279 52.037 0.110 0.000 0.764 244 A CB 1.064 19.994 19.000 -0.116 0.000 1.230 244 A HN 0.685 nan 8.150 nan 0.000 0.448 245 G N 0.209 109.053 108.800 0.073 0.000 2.302 245 G HA2 0.449 4.409 3.960 0.000 0.000 0.264 245 G HA3 0.449 4.409 3.960 0.000 0.000 0.264 245 G C -0.865 174.013 174.900 -0.037 0.000 1.335 245 G CA -0.131 44.968 45.100 -0.001 0.000 0.982 245 G HN 1.967 nan 8.290 nan 0.000 0.473 246 I N -2.775 117.744 120.570 -0.086 0.000 3.042 246 I HA 0.955 5.125 4.170 0.000 0.000 0.310 246 I C -0.946 175.052 176.117 -0.199 0.000 1.117 246 I CA -1.382 59.840 61.300 -0.130 0.000 1.003 246 I CB 2.439 40.391 38.000 -0.080 0.000 1.228 246 I HN 0.551 nan 8.210 nan 0.000 0.443 247 K N 2.634 122.861 120.400 -0.289 0.000 2.221 247 K HA 0.778 5.098 4.320 0.000 0.000 0.258 247 K C -1.549 174.866 176.600 -0.308 0.000 0.944 247 K CA -0.554 55.531 56.287 -0.337 0.000 0.823 247 K CB 1.961 34.165 32.500 -0.493 0.000 1.113 247 K HN 0.599 nan 8.250 nan 0.000 0.431 248 V N 3.317 122.919 119.914 -0.521 0.000 2.876 248 V HA 0.521 4.641 4.120 0.000 0.000 0.312 248 V C -1.091 174.666 176.094 -0.561 0.000 1.085 248 V CA -0.887 61.063 62.300 -0.582 0.000 0.945 248 V CB 1.917 33.174 31.823 -0.944 0.000 1.017 248 V HN 0.760 nan 8.190 nan 0.000 0.428 249 Q N 2.751 122.467 119.800 -0.139 0.000 2.271 249 Q HA 0.610 4.950 4.340 0.000 0.000 0.268 249 Q C -1.818 174.337 176.000 0.258 0.000 1.021 249 Q CA -0.535 55.326 55.803 0.097 0.000 0.802 249 Q CB 2.188 30.982 28.738 0.095 0.000 1.282 249 Q HN 0.775 nan 8.270 nan 0.000 0.431 250 I N 5.954 126.685 120.570 0.269 0.000 2.315 250 I HA 0.365 4.535 4.170 0.000 0.000 0.291 250 I C -0.230 175.966 176.117 0.132 0.000 1.006 250 I CA -0.461 60.881 61.300 0.071 0.000 1.265 250 I CB 0.527 38.472 38.000 -0.091 0.000 1.387 250 I HN 0.604 nan 8.210 nan 0.000 0.475 251 H N 2.947 122.010 119.070 -0.013 0.000 3.008 251 H HA 0.360 4.916 4.556 0.000 0.000 0.354 251 H C -1.016 174.405 175.328 0.156 0.000 1.252 251 H CA -0.974 55.156 56.048 0.137 0.000 1.117 251 H CB 1.228 31.050 29.762 0.101 0.000 1.857 251 H HN 0.414 nan 8.280 nan 0.000 0.547 252 S N -0.194 115.709 115.700 0.338 0.000 2.568 252 S HA -0.036 4.434 4.470 0.000 0.000 0.282 252 S C 1.116 175.802 174.600 0.142 0.000 1.338 252 S CA -0.070 58.265 58.200 0.225 0.000 1.045 252 S CB 0.539 63.864 63.200 0.210 0.000 0.873 252 S HN 0.664 nan 8.310 nan 0.000 0.516 253 Q N 1.412 121.253 119.800 0.069 0.000 2.226 253 Q HA -0.124 4.216 4.340 0.000 0.000 0.204 253 Q C 0.639 176.708 176.000 0.115 0.000 0.975 253 Q CA 1.612 57.450 55.803 0.058 0.000 0.866 253 Q CB -0.299 28.450 28.738 0.017 0.000 0.915 253 Q HN 0.919 nan 8.270 nan 0.000 0.440 254 D N -0.137 120.331 120.400 0.114 0.000 2.336 254 D HA 0.018 4.658 4.640 0.000 0.000 0.228 254 D C -0.145 176.216 176.300 0.102 0.000 1.120 254 D CA 0.042 54.107 54.000 0.108 0.000 0.839 254 D CB 0.082 40.935 40.800 0.089 0.000 0.932 254 D HN 0.082 nan 8.370 nan 0.000 0.509 255 E N 1.273 121.553 120.200 0.134 0.000 2.224 255 E HA 0.269 4.619 4.350 0.000 0.000 0.265 255 E C -2.717 173.901 176.600 0.030 0.000 0.878 255 E CA -2.597 53.837 56.400 0.057 0.000 0.759 255 E CB 2.239 31.986 29.700 0.080 0.000 1.164 255 E HN -0.064 nan 8.360 nan 0.000 0.414 256 P HA 0.218 nan 4.420 nan 0.000 0.274 256 P C -2.640 174.474 177.300 -0.311 0.000 1.237 256 P CA -1.415 61.598 63.100 -0.145 0.000 0.793 256 P CB 0.642 32.248 31.700 -0.158 0.000 0.977 257 P HA 0.234 nan 4.420 nan 0.000 0.279 257 P C -0.589 176.598 177.300 -0.188 0.000 1.252 257 P CA -0.308 62.548 63.100 -0.407 0.000 0.811 257 P CB 0.813 32.300 31.700 -0.355 0.000 1.035 258 L N 2.766 123.903 121.223 -0.143 0.000 2.804 258 L HA 0.326 4.666 4.340 0.000 0.000 0.294 258 L C 1.280 178.116 176.870 -0.055 0.000 1.355 258 L CA -0.041 54.747 54.840 -0.087 0.000 0.749 258 L CB -0.591 41.419 42.059 -0.082 0.000 1.103 258 L HN 0.260 nan 8.230 nan 0.000 0.542 259 I N -0.422 120.125 120.570 -0.038 0.000 2.248 259 I HA -0.290 3.880 4.170 0.000 0.000 0.248 259 I C 1.769 177.957 176.117 0.118 0.000 1.107 259 I CA 1.962 63.282 61.300 0.034 0.000 1.373 259 I CB 0.362 38.393 38.000 0.051 0.000 1.055 259 I HN 0.641 nan 8.210 nan 0.000 0.418 260 D N -0.376 120.044 120.400 0.033 0.000 2.178 260 D HA -0.218 4.422 4.640 0.000 0.000 0.201 260 D C 2.094 178.376 176.300 -0.031 0.000 0.980 260 D CA 1.289 55.241 54.000 -0.080 0.000 0.842 260 D CB 0.172 40.703 40.800 -0.448 0.000 0.948 260 D HN 0.347 nan 8.370 nan 0.000 0.472 261 Q N -0.704 119.075 119.800 -0.035 0.000 2.200 261 Q HA 0.170 4.510 4.340 0.000 0.000 0.197 261 Q C 2.074 178.079 176.000 0.008 0.000 0.953 261 Q CA 0.595 56.384 55.803 -0.023 0.000 0.851 261 Q CB 0.200 28.912 28.738 -0.042 0.000 0.938 261 Q HN 0.383 nan 8.270 nan 0.000 0.488 262 L N -0.177 121.056 121.223 0.016 0.000 2.693 262 L HA 0.316 4.656 4.340 0.000 0.000 0.235 262 L C 1.173 178.092 176.870 0.081 0.000 1.127 262 L CA -0.221 54.644 54.840 0.041 0.000 0.914 262 L CB 0.122 42.197 42.059 0.027 0.000 1.193 262 L HN 0.000 nan 8.230 nan 0.000 0.502 263 G N 0.689 109.529 108.800 0.068 0.000 2.651 263 G HA2 0.297 4.257 3.960 0.000 0.000 0.260 263 G HA3 0.297 4.257 3.960 0.000 0.000 0.260 263 G C -0.618 174.349 174.900 0.112 0.000 1.216 263 G CA -0.274 44.855 45.100 0.048 0.000 0.913 263 G HN 0.115 nan 8.290 nan 0.000 0.535 264 F N -1.639 118.322 119.950 0.019 0.000 2.556 264 F HA 0.804 5.331 4.527 0.000 0.000 0.327 264 F C 0.337 176.131 175.800 -0.010 0.000 1.059 264 F CA -1.319 56.682 58.000 0.001 0.000 0.953 264 F CB 1.297 40.291 39.000 -0.009 0.000 1.227 264 F HN 0.661 nan 8.300 nan 0.000 0.478 265 G N 0.411 109.306 108.800 0.159 0.000 2.437 265 G HA2 0.587 4.547 3.960 0.000 0.000 0.319 265 G HA3 0.587 4.547 3.960 0.000 0.000 0.319 265 G C -1.790 173.163 174.900 0.090 0.000 1.158 265 G CA -0.948 44.170 45.100 0.029 0.000 0.899 265 G HN 0.702 nan 8.290 nan 0.000 0.502 266 V N 0.509 120.420 119.914 -0.006 0.000 2.623 266 V HA 0.675 4.795 4.120 0.000 0.000 0.304 266 V C 0.284 176.374 176.094 -0.007 0.000 1.054 266 V CA -0.830 61.478 62.300 0.013 0.000 0.882 266 V CB 1.304 33.118 31.823 -0.016 0.000 1.002 266 V HN 1.155 nan 8.190 nan 0.000 0.424 267 A N 7.104 129.936 122.820 0.019 0.000 2.295 267 A HA 0.948 5.268 4.320 0.000 0.000 0.318 267 A C -2.499 175.166 177.584 0.135 0.000 1.134 267 A CA -1.742 50.339 52.037 0.073 0.000 0.827 267 A CB 0.863 19.918 19.000 0.092 0.000 1.136 267 A HN 0.600 nan 8.150 nan 0.000 0.493 268 P HA 0.311 nan 4.420 nan 0.000 0.274 268 P C 0.680 177.995 177.300 0.026 0.000 1.231 268 P CA 1.221 64.321 63.100 0.001 0.000 0.790 268 P CB 1.017 32.666 31.700 -0.086 0.000 0.951 269 G N 0.011 108.747 108.800 -0.107 0.000 2.143 269 G HA2 -0.206 3.755 3.960 0.000 0.000 0.249 269 G HA3 -0.206 3.755 3.960 0.000 0.000 0.249 269 G C -0.397 174.138 174.900 -0.608 0.000 0.981 269 G CA -0.281 44.623 45.100 -0.325 0.000 0.665 269 G HN 0.442 nan 8.290 nan 0.000 0.528 270 F N -0.774 119.140 119.950 -0.061 0.000 2.613 270 F HA 0.615 5.142 4.527 0.000 0.000 0.310 270 F C 0.026 175.768 175.800 -0.096 0.000 1.085 270 F CA -0.912 57.054 58.000 -0.056 0.000 0.945 270 F CB 1.908 40.885 39.000 -0.040 0.000 1.298 270 F HN 0.064 nan 8.300 nan 0.000 0.455 271 Q N 1.541 121.389 119.800 0.080 0.000 2.314 271 Q HA 0.516 4.856 4.340 0.000 0.000 0.259 271 Q C -1.392 174.480 176.000 -0.213 0.000 0.951 271 Q CA -0.355 55.365 55.803 -0.138 0.000 0.909 271 Q CB 1.480 30.075 28.738 -0.239 0.000 1.236 271 Q HN 0.737 nan 8.270 nan 0.000 0.444 272 T N 4.768 119.179 114.554 -0.238 0.000 2.771 272 T HA 0.442 4.792 4.350 0.000 0.000 0.281 272 T C -0.972 173.581 174.700 -0.246 0.000 0.982 272 T CA -0.261 61.743 62.100 -0.160 0.000 0.978 272 T CB 0.214 69.069 68.868 -0.022 0.000 0.930 272 T HN 0.359 nan 8.240 nan 0.000 0.447 273 F N 2.146 122.158 119.950 0.103 0.000 2.415 273 F HA 0.514 5.041 4.527 0.000 0.000 0.348 273 F C 0.121 175.944 175.800 0.039 0.000 1.119 273 F CA -0.999 57.111 58.000 0.183 0.000 1.069 273 F CB 1.246 40.392 39.000 0.244 0.000 1.124 273 F HN 0.164 nan 8.300 nan 0.000 0.472 274 V N 2.753 122.721 119.914 0.089 0.000 2.304 274 V HA 0.253 4.373 4.120 0.000 0.000 0.278 274 V C -0.149 175.536 176.094 -0.680 0.000 1.018 274 V CA -0.642 61.511 62.300 -0.245 0.000 0.814 274 V CB 1.236 32.912 31.823 -0.244 0.000 1.021 274 V HN 0.766 nan 8.190 nan 0.000 0.440 275 S N 4.490 119.784 115.700 -0.676 0.000 2.430 275 S HA 0.444 4.914 4.470 0.000 0.000 0.289 275 S C -0.059 174.202 174.600 -0.564 0.000 1.143 275 S CA -0.324 57.338 58.200 -0.897 0.000 1.067 275 S CB -0.012 62.956 63.200 -0.386 0.000 0.964 275 S HN 0.804 nan 8.310 nan 0.000 0.485 276 C N 3.677 122.578 119.300 -0.665 0.000 2.486 276 C HA 0.719 5.179 4.460 0.000 0.000 0.348 276 C C -0.114 174.772 174.990 -0.174 0.000 1.203 276 C CA -0.757 57.943 59.018 -0.530 0.000 1.911 276 C CB 1.326 28.476 27.740 -0.984 0.000 2.340 276 C HN 0.866 nan 8.230 nan 0.000 0.511 277 Q N 0.955 120.784 119.800 0.050 0.000 2.263 277 Q HA 0.268 4.608 4.340 0.000 0.000 0.266 277 Q C -1.164 175.015 176.000 0.299 0.000 1.002 277 Q CA -0.094 55.861 55.803 0.253 0.000 0.790 277 Q CB 1.476 30.277 28.738 0.105 0.000 1.272 277 Q HN 0.849 nan 8.270 nan 0.000 0.435 278 E N 3.022 123.482 120.200 0.434 0.000 2.316 278 E HA 0.100 4.450 4.350 0.000 0.000 0.275 278 E C -1.100 175.461 176.600 -0.065 0.000 1.029 278 E CA 0.149 56.664 56.400 0.192 0.000 0.871 278 E CB 0.788 30.686 29.700 0.331 0.000 1.022 278 E HN 0.500 nan 8.360 nan 0.000 0.418 279 Q N 4.269 123.928 119.800 -0.235 0.000 2.320 279 Q HA 0.348 4.688 4.340 0.000 0.000 0.268 279 Q C -0.881 174.957 176.000 -0.271 0.000 1.023 279 Q CA -0.574 55.074 55.803 -0.259 0.000 0.744 279 Q CB 2.008 30.638 28.738 -0.180 0.000 1.246 279 Q HN 0.298 nan 8.270 nan 0.000 0.462 280 R N 2.843 123.156 120.500 -0.312 0.000 2.207 280 R HA 0.434 4.774 4.340 0.000 0.000 0.334 280 R C -0.875 175.289 176.300 -0.228 0.000 1.013 280 R CA -0.576 55.396 56.100 -0.214 0.000 0.858 280 R CB 0.707 30.926 30.300 -0.135 0.000 1.094 280 R HN 0.423 nan 8.270 nan 0.000 0.457 281 L N 4.308 125.403 121.223 -0.212 0.000 2.329 281 L HA 0.512 4.853 4.340 0.000 0.000 0.279 281 L C -0.251 176.351 176.870 -0.448 0.000 1.014 281 L CA -0.543 54.088 54.840 -0.349 0.000 0.814 281 L CB 1.494 43.363 42.059 -0.315 0.000 1.257 281 L HN 0.341 nan 8.230 nan 0.000 0.424 282 I N 2.843 123.068 120.570 -0.575 0.000 2.465 282 I HA 0.402 4.572 4.170 0.000 0.000 0.291 282 I C -0.800 174.954 176.117 -0.605 0.000 1.014 282 I CA -0.668 60.372 61.300 -0.433 0.000 1.093 282 I CB 1.659 39.525 38.000 -0.223 0.000 1.267 282 I HN 0.429 nan 8.210 nan 0.000 0.431 283 Y N 5.027 125.297 120.300 -0.051 0.000 2.485 283 Y HA 0.570 5.120 4.550 0.000 0.000 0.345 283 Y C 0.009 175.871 175.900 -0.063 0.000 0.998 283 Y CA -0.867 57.193 58.100 -0.067 0.000 1.059 283 Y CB 1.773 40.208 38.460 -0.043 0.000 1.234 283 Y HN 0.289 nan 8.280 nan 0.000 0.461 284 L N 5.431 126.701 121.223 0.078 0.000 2.312 284 L HA 0.482 4.822 4.340 0.000 0.000 0.281 284 L C -2.150 174.796 176.870 0.127 0.000 1.070 284 L CA -1.873 52.994 54.840 0.046 0.000 0.805 284 L CB 1.332 43.387 42.059 -0.007 0.000 1.174 284 L HN 0.368 nan 8.230 nan 0.000 0.434 285 P HA 0.311 nan 4.420 nan 0.000 0.279 285 P C -2.738 174.685 177.300 0.205 0.000 1.282 285 P CA -1.964 61.222 63.100 0.144 0.000 0.788 285 P CB -0.095 31.676 31.700 0.118 0.000 1.139 286 P HA 0.082 nan 4.420 nan 0.000 0.269 286 P C -1.549 175.667 177.300 -0.141 0.000 1.215 286 P CA -0.713 62.363 63.100 -0.041 0.000 0.780 286 P CB -0.648 31.001 31.700 -0.085 0.000 0.898 287 P HA -0.018 nan 4.420 nan 0.000 0.255 287 P C 0.834 177.844 177.300 -0.483 0.000 1.248 287 P CA 0.703 63.399 63.100 -0.673 0.000 0.807 287 P CB 0.146 31.117 31.700 -1.216 0.000 1.150 288 W N 1.200 122.424 121.300 -0.128 0.000 2.408 288 W HA 0.112 4.772 4.660 0.000 0.000 0.311 288 W C 1.264 177.790 176.519 0.012 0.000 1.190 288 W CA 1.537 58.891 57.345 0.015 0.000 1.321 288 W CB -1.010 28.476 29.460 0.044 0.000 1.143 288 W HN -0.039 nan 8.180 nan 0.000 0.501 289 G N -0.048 108.890 108.800 0.230 0.000 3.176 289 G HA2 0.291 4.251 3.960 0.000 0.000 0.272 289 G HA3 0.291 4.251 3.960 0.000 0.000 0.272 289 G C -0.959 173.971 174.900 0.050 0.000 1.349 289 G CA -0.370 44.789 45.100 0.098 0.000 0.953 289 G HN 0.025 nan 8.290 nan 0.000 0.559 290 D N -0.929 119.478 120.400 0.013 0.000 2.957 290 D HA 0.182 4.822 4.640 0.000 0.000 0.352 290 D C 0.886 177.167 176.300 -0.031 0.000 1.352 290 D CA -0.370 53.622 54.000 -0.013 0.000 0.831 290 D CB -0.318 40.466 40.800 -0.027 0.000 1.147 290 D HN 0.535 nan 8.370 nan 0.000 0.467 291 c N -0.319 118.279 118.600 -0.004 0.000 2.551 291 c HA 0.786 5.356 4.570 0.000 0.000 0.377 291 c C 0.027 174.117 174.090 0.000 0.000 1.622 291 c CA -0.737 55.589 56.329 -0.005 0.000 1.980 291 c CB 1.075 43.625 42.510 0.067 0.000 1.946 291 c HN 0.384 nan 8.230 nan 0.000 0.525 292 K N 0.444 120.851 120.400 0.012 0.000 2.731 292 K HA 0.551 4.871 4.320 0.000 0.000 0.257 292 K C -0.238 176.331 176.600 -0.052 0.000 1.032 292 K CA -0.131 56.112 56.287 -0.073 0.000 0.983 292 K CB 1.176 33.551 32.500 -0.207 0.000 1.248 292 K HN 1.129 nan 8.250 nan 0.000 0.484 293 A N 1.877 124.689 122.820 -0.014 0.000 2.364 293 A HA 0.175 4.495 4.320 0.000 0.000 0.258 293 A C 0.241 177.819 177.584 -0.010 0.000 1.131 293 A CA 0.039 52.096 52.037 0.034 0.000 0.800 293 A CB -0.049 18.970 19.000 0.032 0.000 1.086 293 A HN 0.681 nan 8.150 nan 0.000 0.508 294 T N 2.172 116.765 114.554 0.063 0.000 4.282 294 T HA 0.158 4.508 4.350 0.000 0.000 0.231 294 T C 0.217 174.920 174.700 0.006 0.000 1.004 294 T CA 0.619 62.765 62.100 0.076 0.000 1.146 294 T CB -1.437 67.501 68.868 0.117 0.000 1.285 294 T HN 0.569 nan 8.240 nan 0.000 0.971 295 T N 3.546 118.056 114.554 -0.073 0.000 2.736 295 T HA 0.331 4.681 4.350 0.000 0.000 0.275 295 T C 1.539 176.219 174.700 -0.034 0.000 0.962 295 T CA 0.678 62.739 62.100 -0.065 0.000 1.214 295 T CB -0.300 68.500 68.868 -0.114 0.000 0.904 295 T HN 0.817 nan 8.240 nan 0.000 0.529 296 G N 4.687 113.481 108.800 -0.011 0.000 2.629 296 G HA2 -0.234 3.726 3.960 0.000 0.000 0.313 296 G HA3 -0.234 3.726 3.960 0.000 0.000 0.313 296 G C -0.622 174.285 174.900 0.013 0.000 1.217 296 G CA 0.372 45.470 45.100 -0.002 0.000 0.994 296 G HN 0.710 nan 8.290 nan 0.000 0.549 297 D N -0.478 119.926 120.400 0.008 0.000 2.966 297 D HA 0.539 5.179 4.640 0.000 0.000 0.222 297 D C 0.838 177.142 176.300 0.008 0.000 1.292 297 D CA 0.159 54.172 54.000 0.023 0.000 0.907 297 D CB 1.774 42.581 40.800 0.011 0.000 1.621 297 D HN 0.273 nan 8.370 nan 0.000 0.557 298 S N 1.446 117.173 115.700 0.045 0.000 2.500 298 S HA -0.172 4.298 4.470 0.000 0.000 0.210 298 S C 1.199 175.734 174.600 -0.107 0.000 1.101 298 S CA 1.353 59.567 58.200 0.022 0.000 1.272 298 S CB 0.274 63.560 63.200 0.144 0.000 1.071 298 S HN 0.760 nan 8.310 nan 0.000 0.397 299 E N -2.431 117.652 120.200 -0.196 0.000 1.376 299 E HA 0.129 4.479 4.350 0.000 0.000 0.202 299 E C 0.669 176.966 176.600 -0.504 0.000 0.934 299 E CA 0.117 56.261 56.400 -0.426 0.000 0.997 299 E CB -0.801 28.477 29.700 -0.703 0.000 4.505 299 E HN 0.345 nan 8.360 nan 0.000 0.688 300 F N -0.602 119.285 119.950 -0.105 0.000 2.592 300 F HA 0.467 4.994 4.527 0.000 0.000 0.280 300 F C 0.150 175.583 175.800 -0.611 0.000 1.083 300 F CA 0.258 58.021 58.000 -0.395 0.000 1.365 300 F CB 0.306 38.984 39.000 -0.536 0.000 1.100 300 F HN -0.141 nan 8.300 nan 0.000 0.633 301 Y N 0.006 120.429 120.300 0.204 0.000 2.485 301 Y HA 0.356 4.907 4.550 0.000 0.000 0.345 301 Y C 0.523 176.483 175.900 0.101 0.000 0.998 301 Y CA -1.431 56.752 58.100 0.139 0.000 1.059 301 Y CB 0.932 39.471 38.460 0.131 0.000 1.234 301 Y HN -0.185 nan 8.280 nan 0.000 0.461 302 D N -0.121 120.415 120.400 0.226 0.000 2.194 302 D HA 0.002 4.642 4.640 0.000 0.000 0.204 302 D C -0.017 176.379 176.300 0.159 0.000 0.964 302 D CA 1.215 55.305 54.000 0.150 0.000 0.846 302 D CB 0.209 41.075 40.800 0.110 0.000 0.962 302 D HN 0.418 nan 8.370 nan 0.000 0.490 303 T N -0.586 114.079 114.554 0.185 0.000 2.888 303 T HA 0.273 4.623 4.350 0.000 0.000 0.284 303 T C -0.921 173.888 174.700 0.182 0.000 1.017 303 T CA -0.648 61.548 62.100 0.160 0.000 1.022 303 T CB 1.456 70.394 68.868 0.117 0.000 1.013 303 T HN -0.074 nan 8.240 nan 0.000 0.465 304 Y N 2.726 123.064 120.300 0.062 0.000 2.308 304 Y HA 0.546 5.096 4.550 0.000 0.000 0.329 304 Y C 0.202 176.114 175.900 0.020 0.000 1.111 304 Y CA -0.380 57.746 58.100 0.043 0.000 1.179 304 Y CB 0.621 39.106 38.460 0.041 0.000 1.201 304 Y HN 0.777 nan 8.280 nan 0.000 0.483 305 S N 4.371 119.581 115.700 -0.817 0.000 2.588 305 S HA 0.394 4.864 4.470 0.000 0.000 0.269 305 S C 0.278 174.455 174.600 -0.704 0.000 1.157 305 S CA -0.855 56.988 58.200 -0.595 0.000 0.824 305 S CB 0.602 63.634 63.200 -0.279 0.000 1.126 305 S HN 0.696 nan 8.310 nan 0.000 0.464 306 I N 1.018 121.340 120.570 -0.413 0.000 2.208 306 I HA -0.188 3.982 4.170 0.000 0.000 0.245 306 I C 2.529 178.503 176.117 -0.237 0.000 1.097 306 I CA 1.729 62.861 61.300 -0.281 0.000 1.363 306 I CB -0.644 37.266 38.000 -0.150 0.000 1.051 306 I HN 0.786 nan 8.210 nan 0.000 0.413 307 T N 0.558 114.973 114.554 -0.231 0.000 2.821 307 T HA -0.085 4.265 4.350 0.000 0.000 0.267 307 T C 2.037 176.564 174.700 -0.289 0.000 1.046 307 T CA 1.311 63.283 62.100 -0.213 0.000 1.139 307 T CB -0.205 68.544 68.868 -0.199 0.000 0.871 307 T HN 0.474 nan 8.240 nan 0.000 0.454 308 A N 0.515 123.089 122.820 -0.411 0.000 1.902 308 A HA -0.136 4.184 4.320 0.000 0.000 0.217 308 A C 2.714 180.173 177.584 -0.208 0.000 1.181 308 A CA 1.643 53.338 52.037 -0.570 0.000 0.623 308 A CB -1.411 17.263 19.000 -0.544 0.000 0.818 308 A HN 0.654 nan 8.150 nan 0.000 0.443 309 c N -0.144 118.355 118.600 -0.169 0.000 2.429 309 c HA -0.087 4.483 4.570 0.000 0.000 0.277 309 c C 2.838 176.952 174.090 0.040 0.000 1.262 309 c CA 1.392 57.738 56.329 0.029 0.000 1.733 309 c CB -1.333 41.203 42.510 0.044 0.000 2.010 309 c HN 0.628 nan 8.230 nan 0.000 0.483 310 R N 0.325 120.805 120.500 -0.034 0.000 2.073 310 R HA -0.022 4.318 4.340 0.000 0.000 0.234 310 R C 2.143 178.450 176.300 0.012 0.000 1.134 310 R CA 1.915 58.006 56.100 -0.015 0.000 0.952 310 R CB -0.403 29.866 30.300 -0.052 0.000 0.850 310 R HN 0.576 nan 8.270 nan 0.000 0.433 311 I N 0.722 121.289 120.570 -0.004 0.000 2.315 311 I HA -0.242 3.928 4.170 0.000 0.000 0.248 311 I C 1.564 177.739 176.117 0.096 0.000 1.117 311 I CA 1.259 62.579 61.300 0.033 0.000 1.404 311 I CB -0.329 37.694 38.000 0.039 0.000 1.071 311 I HN 0.096 nan 8.210 nan 0.000 0.419 312 D N 0.262 120.789 120.400 0.212 0.000 2.092 312 D HA -0.224 4.416 4.640 0.000 0.000 0.193 312 D C 2.256 178.701 176.300 0.242 0.000 0.994 312 D CA 1.273 55.483 54.000 0.349 0.000 0.828 312 D CB -0.286 40.769 40.800 0.425 0.000 0.963 312 D HN 0.351 nan 8.370 nan 0.000 0.450 313 c N 0.845 119.551 118.600 0.177 0.000 2.429 313 c HA -0.118 4.452 4.570 0.000 0.000 0.277 313 c C 2.367 176.544 174.090 0.145 0.000 1.262 313 c CA 0.993 57.415 56.329 0.156 0.000 1.733 313 c CB -1.026 41.556 42.510 0.119 0.000 2.010 313 c HN 0.340 nan 8.230 nan 0.000 0.483 314 E N -0.279 119.975 120.200 0.090 0.000 2.077 314 E HA -0.170 4.180 4.350 0.000 0.000 0.193 314 E C 2.186 178.838 176.600 0.086 0.000 0.989 314 E CA 1.906 58.350 56.400 0.074 0.000 0.800 314 E CB -0.312 29.404 29.700 0.027 0.000 0.746 314 E HN 0.655 nan 8.360 nan 0.000 0.452 315 T N 0.975 115.549 114.554 0.033 0.000 2.674 315 T HA -0.137 4.213 4.350 0.000 0.000 0.265 315 T C 1.827 176.558 174.700 0.052 0.000 1.039 315 T CA 1.101 63.185 62.100 -0.028 0.000 1.150 315 T CB -0.168 68.598 68.868 -0.170 0.000 0.864 315 T HN 0.122 nan 8.240 nan 0.000 0.427 316 R N -0.313 120.266 120.500 0.131 0.000 2.091 316 R HA -0.105 4.235 4.340 0.000 0.000 0.238 316 R C 2.327 178.686 176.300 0.100 0.000 1.136 316 R CA 1.505 57.683 56.100 0.131 0.000 0.959 316 R CB -0.528 29.871 30.300 0.165 0.000 0.856 316 R HN 0.455 nan 8.270 nan 0.000 0.437 317 Y N 1.118 121.426 120.300 0.014 0.000 2.145 317 Y HA -0.223 4.327 4.550 0.000 0.000 0.286 317 Y C 1.979 177.848 175.900 -0.050 0.000 1.145 317 Y CA 1.416 59.501 58.100 -0.026 0.000 1.148 317 Y CB -0.131 38.316 38.460 -0.023 0.000 0.981 317 Y HN -0.075 nan 8.280 nan 0.000 0.507 318 L N -1.130 120.149 121.223 0.092 0.000 2.056 318 L HA -0.180 4.160 4.340 0.000 0.000 0.207 318 L C 2.390 179.208 176.870 -0.085 0.000 1.078 318 L CA 1.183 56.017 54.840 -0.010 0.000 0.749 318 L CB -0.803 41.255 42.059 -0.000 0.000 0.901 318 L HN 0.107 nan 8.230 nan 0.000 0.433 319 V N -0.673 119.204 119.914 -0.061 0.000 2.295 319 V HA -0.255 3.865 4.120 0.000 0.000 0.246 319 V C 2.595 178.635 176.094 -0.089 0.000 1.049 319 V CA 1.791 64.053 62.300 -0.064 0.000 1.024 319 V CB -0.553 31.252 31.823 -0.031 0.000 0.648 319 V HN 0.487 nan 8.190 nan 0.000 0.447 320 E N 0.636 120.768 120.200 -0.113 0.000 2.077 320 E HA -0.204 4.146 4.350 0.000 0.000 0.193 320 E C 1.921 178.398 176.600 -0.204 0.000 0.989 320 E CA 1.446 57.760 56.400 -0.143 0.000 0.800 320 E CB -0.209 29.400 29.700 -0.151 0.000 0.746 320 E HN 0.621 nan 8.360 nan 0.000 0.452 321 N N -0.922 117.592 118.700 -0.310 0.000 2.405 321 N HA -0.020 4.720 4.740 0.000 0.000 0.175 321 N C 1.355 176.751 175.510 -0.192 0.000 1.051 321 N CA 0.703 53.561 53.050 -0.319 0.000 0.899 321 N CB 0.286 38.441 38.487 -0.554 0.000 1.000 321 N HN 0.198 nan 8.380 nan 0.000 0.451 322 c N -0.018 118.495 118.600 -0.146 0.000 3.559 322 c HA 0.298 4.868 4.570 0.000 0.000 0.314 322 c C 0.617 174.666 174.090 -0.068 0.000 1.419 322 c CA -0.586 55.688 56.329 -0.092 0.000 1.775 322 c CB -0.479 41.984 42.510 -0.078 0.000 2.430 322 c HN 0.381 nan 8.230 nan 0.000 0.686 323 N N 0.700 119.355 118.700 -0.075 0.000 2.747 323 N HA -0.171 4.569 4.740 0.000 0.000 0.249 323 N C -0.328 175.155 175.510 -0.046 0.000 1.107 323 N CA 1.487 54.503 53.050 -0.056 0.000 0.707 323 N CB -1.746 36.715 38.487 -0.044 0.000 1.054 323 N HN 0.833 nan 8.380 nan 0.000 0.555 324 c N -2.229 116.339 118.600 -0.054 0.000 3.312 324 c HA 0.811 5.381 4.570 0.000 0.000 0.332 324 c C -0.275 173.774 174.090 -0.070 0.000 1.340 324 c CA -1.351 54.949 56.329 -0.050 0.000 1.265 324 c CB 1.819 44.324 42.510 -0.007 0.000 1.563 324 c HN 0.451 nan 8.230 nan 0.000 0.471 325 R N 1.548 122.004 120.500 -0.074 0.000 2.778 325 R HA 0.830 5.170 4.340 0.000 0.000 0.277 325 R C -0.579 175.720 176.300 -0.001 0.000 0.977 325 R CA -0.812 55.235 56.100 -0.088 0.000 0.950 325 R CB 1.153 31.363 30.300 -0.150 0.000 1.165 325 R HN 0.801 nan 8.270 nan 0.000 0.474 326 M N 1.384 120.938 119.600 -0.077 0.000 2.228 326 M HA 0.055 4.535 4.480 0.000 0.000 0.326 326 M C 1.226 177.634 176.300 0.181 0.000 1.122 326 M CA -0.365 54.947 55.300 0.021 0.000 1.161 326 M CB 1.490 34.077 32.600 -0.022 0.000 1.437 326 M HN 0.520 nan 8.290 nan 0.000 0.465 327 V N 1.224 121.338 119.914 0.333 0.000 2.546 327 V HA -0.275 3.845 4.120 0.000 0.000 0.254 327 V C 2.169 178.281 176.094 0.031 0.000 1.076 327 V CA 1.990 64.317 62.300 0.046 0.000 1.087 327 V CB -1.355 30.427 31.823 -0.069 0.000 0.674 327 V HN 0.859 nan 8.190 nan 0.000 0.470 328 H N -2.239 116.843 119.070 0.020 0.000 2.539 328 H HA 0.286 4.842 4.556 0.000 0.000 0.269 328 H C 0.686 176.032 175.328 0.031 0.000 0.980 328 H CA -0.281 55.784 56.048 0.029 0.000 1.152 328 H CB -0.282 29.476 29.762 -0.006 0.000 1.407 328 H HN 0.373 nan 8.280 nan 0.000 0.564 329 M N 2.628 122.014 119.600 -0.357 0.000 2.367 329 M HA 0.341 4.821 4.480 0.000 0.000 0.339 329 M C -2.194 173.956 176.300 -0.251 0.000 1.177 329 M CA -1.896 53.199 55.300 -0.343 0.000 1.068 329 M CB 1.835 34.198 32.600 -0.396 0.000 1.602 329 M HN -0.010 nan 8.290 nan 0.000 0.457 330 P HA 0.566 nan 4.420 nan 0.000 0.279 330 P C -0.007 176.971 177.300 -0.537 0.000 1.282 330 P CA 0.093 62.906 63.100 -0.479 0.000 0.788 330 P CB 0.824 32.096 31.700 -0.713 0.000 1.139 331 G N 0.007 108.687 108.800 -0.201 0.000 2.483 331 G HA2 -0.112 3.848 3.960 0.000 0.000 0.521 331 G HA3 -0.112 3.848 3.960 0.000 0.000 0.521 331 G C -0.473 174.411 174.900 -0.026 0.000 1.278 331 G CA -0.009 45.139 45.100 0.079 0.000 0.965 331 G HN 0.421 nan 8.290 nan 0.000 0.504 332 D N 0.288 120.677 120.400 -0.018 0.000 2.441 332 D HA 0.469 5.109 4.640 0.000 0.000 0.210 332 D C 1.613 177.828 176.300 -0.141 0.000 1.102 332 D CA 0.886 54.838 54.000 -0.079 0.000 0.840 332 D CB 0.455 41.236 40.800 -0.032 0.000 0.990 332 D HN 0.946 nan 8.370 nan 0.000 0.505 333 A N 2.580 125.316 122.820 -0.140 0.000 2.507 333 A HA 0.296 4.616 4.320 0.000 0.000 0.235 333 A C -2.060 175.364 177.584 -0.266 0.000 1.070 333 A CA -0.553 51.391 52.037 -0.155 0.000 0.768 333 A CB -0.280 18.648 19.000 -0.120 0.000 1.011 333 A HN -0.045 nan 8.150 nan 0.000 0.502 334 P HA 0.148 nan 4.420 nan 0.000 0.275 334 P C -1.091 176.101 177.300 -0.180 0.000 1.228 334 P CA 0.127 63.113 63.100 -0.191 0.000 0.786 334 P CB 0.270 31.931 31.700 -0.065 0.000 0.927 335 Y N 0.210 120.516 120.300 0.010 0.000 2.359 335 Y HA 0.062 4.612 4.550 0.000 0.000 0.330 335 Y C 1.199 177.155 175.900 0.093 0.000 1.143 335 Y CA -0.056 58.070 58.100 0.044 0.000 1.318 335 Y CB -0.077 38.413 38.460 0.051 0.000 1.234 335 Y HN 0.358 nan 8.280 nan 0.000 0.522 336 c N 3.017 121.789 118.600 0.287 0.000 2.657 336 c HA 0.218 4.788 4.570 0.000 0.000 0.420 336 c C 1.060 175.392 174.090 0.404 0.000 1.323 336 c CA -0.722 55.753 56.329 0.243 0.000 1.894 336 c CB -0.999 41.547 42.510 0.060 0.000 2.681 336 c HN 0.917 nan 8.230 nan 0.000 0.613 337 T N 1.185 115.925 114.554 0.311 0.000 2.788 337 T HA 0.228 4.579 4.350 0.000 0.000 0.280 337 T C -1.854 173.063 174.700 0.361 0.000 0.984 337 T CA -1.176 61.112 62.100 0.314 0.000 0.972 337 T CB 0.499 69.504 68.868 0.228 0.000 1.039 337 T HN 0.400 nan 8.240 nan 0.000 0.530 338 P HA -0.083 nan 4.420 nan 0.000 0.215 338 P C 1.513 178.913 177.300 0.168 0.000 1.153 338 P CA 1.059 64.258 63.100 0.164 0.000 0.853 338 P CB 0.065 31.774 31.700 0.015 0.000 0.788 339 E N -0.111 120.161 120.200 0.121 0.000 2.077 339 E HA -0.249 4.101 4.350 0.000 0.000 0.193 339 E C 1.964 178.630 176.600 0.110 0.000 0.989 339 E CA 1.173 57.619 56.400 0.078 0.000 0.800 339 E CB -0.250 29.477 29.700 0.046 0.000 0.746 339 E HN 0.288 nan 8.360 nan 0.000 0.452 340 Q N -0.919 118.968 119.800 0.145 0.000 2.167 340 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 340 Q C 1.817 177.892 176.000 0.124 0.000 0.970 340 Q CA 1.173 57.043 55.803 0.111 0.000 0.855 340 Q CB -0.104 28.692 28.738 0.097 0.000 0.911 340 Q HN 0.388 nan 8.270 nan 0.000 0.438 341 Y N 1.217 121.570 120.300 0.088 0.000 2.114 341 Y HA -0.261 4.289 4.550 0.000 0.000 0.284 341 Y C 2.492 178.438 175.900 0.077 0.000 1.143 341 Y CA 1.739 59.902 58.100 0.104 0.000 1.135 341 Y CB 0.004 38.547 38.460 0.139 0.000 0.980 341 Y HN -0.046 nan 8.280 nan 0.000 0.499 342 K N 0.253 120.796 120.400 0.238 0.000 2.057 342 K HA -0.195 4.125 4.320 0.000 0.000 0.207 342 K C 1.673 178.322 176.600 0.082 0.000 1.049 342 K CA 1.992 58.360 56.287 0.135 0.000 0.931 342 K CB -0.095 32.457 32.500 0.086 0.000 0.714 342 K HN 0.395 nan 8.250 nan 0.000 0.440 343 E N -1.042 119.197 120.200 0.064 0.000 2.250 343 E HA -0.073 4.277 4.350 0.000 0.000 0.192 343 E C 1.685 178.297 176.600 0.021 0.000 0.986 343 E CA 0.602 57.022 56.400 0.034 0.000 0.849 343 E CB 0.433 30.145 29.700 0.020 0.000 0.797 343 E HN 0.346 nan 8.360 nan 0.000 0.482 344 c N -0.986 117.626 118.600 0.020 0.000 2.904 344 c HA 0.429 4.999 4.570 0.000 0.000 0.524 344 c C 2.582 176.665 174.090 -0.011 0.000 1.313 344 c CA 0.681 57.007 56.329 -0.005 0.000 2.614 344 c CB -0.317 42.179 42.510 -0.024 0.000 3.335 344 c HN 0.403 nan 8.230 nan 0.000 0.519 345 A N 0.936 123.726 122.820 -0.050 0.000 1.845 345 A HA -0.151 4.169 4.320 0.000 0.000 0.215 345 A C 1.733 179.285 177.584 -0.054 0.000 1.195 345 A CA 2.484 54.450 52.037 -0.118 0.000 0.616 345 A CB -0.894 17.883 19.000 -0.371 0.000 0.832 345 A HN 0.648 nan 8.150 nan 0.000 0.443 346 D N -0.503 119.894 120.400 -0.004 0.000 2.097 346 D HA -0.083 4.557 4.640 0.000 0.000 0.195 346 D C -0.326 176.014 176.300 0.067 0.000 0.989 346 D CA 1.680 55.719 54.000 0.065 0.000 0.827 346 D CB -1.554 39.326 40.800 0.133 0.000 0.966 346 D HN 0.293 nan 8.370 nan 0.000 0.456 347 P HA -0.071 nan 4.420 nan 0.000 0.217 347 P C 1.181 178.552 177.300 0.118 0.000 1.150 347 P CA 1.787 64.934 63.100 0.079 0.000 0.832 347 P CB 0.004 31.737 31.700 0.055 0.000 0.787 348 A N -0.721 122.169 122.820 0.115 0.000 1.873 348 A HA -0.154 4.166 4.320 0.000 0.000 0.215 348 A C 2.112 179.815 177.584 0.199 0.000 1.186 348 A CA 1.345 53.509 52.037 0.211 0.000 0.616 348 A CB -1.643 17.485 19.000 0.214 0.000 0.823 348 A HN 0.137 nan 8.150 nan 0.000 0.442 349 L N 0.110 121.401 121.223 0.112 0.000 2.093 349 L HA -0.127 4.213 4.340 0.000 0.000 0.208 349 L C 1.512 178.402 176.870 0.034 0.000 1.085 349 L CA 2.304 57.181 54.840 0.061 0.000 0.755 349 L CB -0.699 41.391 42.059 0.052 0.000 0.904 349 L HN 0.318 nan 8.230 nan 0.000 0.435 350 D N -0.998 119.436 120.400 0.058 0.000 2.144 350 D HA -0.249 4.391 4.640 0.000 0.000 0.199 350 D C 1.993 178.317 176.300 0.039 0.000 0.984 350 D CA 1.437 55.460 54.000 0.037 0.000 0.834 350 D CB -0.318 40.516 40.800 0.056 0.000 0.955 350 D HN 0.417 nan 8.370 nan 0.000 0.465 351 F N 1.325 121.256 119.950 -0.032 0.000 2.102 351 F HA -0.135 4.392 4.527 0.000 0.000 0.298 351 F C 2.027 177.774 175.800 -0.088 0.000 1.105 351 F CA 1.189 59.163 58.000 -0.043 0.000 1.239 351 F CB -0.399 38.581 39.000 -0.034 0.000 0.991 351 F HN -0.107 nan 8.300 nan 0.000 0.474 352 L N 0.211 121.256 121.223 -0.296 0.000 2.046 352 L HA -0.172 4.168 4.340 0.000 0.000 0.208 352 L C 2.447 179.138 176.870 -0.298 0.000 1.077 352 L CA 1.519 56.116 54.840 -0.406 0.000 0.747 352 L CB -0.902 40.999 42.059 -0.263 0.000 0.896 352 L HN 0.287 nan 8.230 nan 0.000 0.432 353 V N -4.227 115.577 119.914 -0.183 0.000 3.541 353 V HA 0.015 4.135 4.120 0.000 0.000 0.267 353 V C 1.524 177.538 176.094 -0.134 0.000 1.213 353 V CA 0.868 63.087 62.300 -0.135 0.000 1.149 353 V CB -0.121 31.649 31.823 -0.088 0.000 0.822 353 V HN 0.449 nan 8.190 nan 0.000 0.462 354 E N 0.511 120.613 120.200 -0.163 0.000 2.378 354 E HA 0.165 4.515 4.350 0.000 0.000 0.200 354 E C 1.764 178.268 176.600 -0.161 0.000 0.882 354 E CA 0.271 56.597 56.400 -0.124 0.000 1.061 354 E CB 0.224 29.885 29.700 -0.064 0.000 1.049 354 E HN 0.479 nan 8.360 nan 0.000 0.494 355 K N 0.925 121.166 120.400 -0.266 0.000 2.313 355 K HA 0.050 4.370 4.320 0.000 0.000 0.197 355 K C 0.291 176.638 176.600 -0.422 0.000 1.061 355 K CA 0.044 56.172 56.287 -0.265 0.000 0.980 355 K CB 0.217 32.661 32.500 -0.093 0.000 0.888 355 K HN -0.036 nan 8.250 nan 0.000 0.502 356 D N 1.342 121.232 120.400 -0.850 0.000 2.525 356 D HA -0.066 4.574 4.640 0.000 0.000 0.235 356 D C -0.037 176.113 176.300 -0.250 0.000 1.137 356 D CA 0.887 54.496 54.000 -0.652 0.000 0.868 356 D CB 0.404 40.783 40.800 -0.701 0.000 1.180 356 D HN 0.108 nan 8.370 nan 0.000 0.465 357 N N 1.708 120.338 118.700 -0.117 0.000 2.143 357 N HA 0.113 4.853 4.740 0.000 0.000 0.222 357 N C 0.171 175.641 175.510 -0.066 0.000 1.264 357 N CA -0.170 52.833 53.050 -0.078 0.000 0.897 357 N CB 0.937 39.393 38.487 -0.051 0.000 1.092 357 N HN 0.454 nan 8.380 nan 0.000 0.516 358 E N -1.011 119.145 120.200 -0.074 0.000 2.614 358 E HA 0.079 4.429 4.350 0.000 0.000 0.201 358 E C 0.460 177.000 176.600 -0.101 0.000 0.889 358 E CA -0.025 56.305 56.400 -0.116 0.000 1.564 358 E CB 0.122 29.704 29.700 -0.197 0.000 1.623 358 E HN 0.147 nan 8.360 nan 0.000 0.898 359 Y N 0.933 121.253 120.300 0.033 0.000 2.181 359 Y HA -0.137 4.413 4.550 0.000 0.000 0.288 359 Y C 1.270 177.182 175.900 0.020 0.000 1.146 359 Y CA 0.699 58.834 58.100 0.059 0.000 1.164 359 Y CB 0.200 38.705 38.460 0.075 0.000 0.982 359 Y HN 0.037 nan 8.280 nan 0.000 0.515 360 c N 1.231 119.900 118.600 0.115 0.000 2.492 360 c HA 0.611 5.181 4.570 0.000 0.000 0.284 360 c C -0.364 173.736 174.090 0.016 0.000 1.082 360 c CA -1.288 55.075 56.329 0.056 0.000 1.555 360 c CB -0.691 41.825 42.510 0.009 0.000 1.798 360 c HN -0.098 nan 8.230 nan 0.000 0.413 361 V N 2.031 121.961 119.914 0.026 0.000 2.495 361 V HA 0.494 4.614 4.120 0.000 0.000 0.298 361 V C 0.050 176.163 176.094 0.032 0.000 1.031 361 V CA -0.311 61.995 62.300 0.009 0.000 0.871 361 V CB 1.577 33.398 31.823 -0.003 0.000 0.988 361 V HN 0.860 nan 8.190 nan 0.000 0.432 362 c N 3.549 122.167 118.600 0.029 0.000 2.435 362 c HA 0.531 5.101 4.570 0.000 0.000 0.333 362 c C 0.359 174.492 174.090 0.071 0.000 1.202 362 c CA -0.937 55.435 56.329 0.072 0.000 1.830 362 c CB 0.988 43.531 42.510 0.055 0.000 2.326 362 c HN 0.886 nan 8.230 nan 0.000 0.507 363 E N 1.693 121.972 120.200 0.131 0.000 2.343 363 E HA 0.209 4.559 4.350 0.000 0.000 0.269 363 E C -0.268 176.407 176.600 0.125 0.000 1.047 363 E CA -0.416 56.033 56.400 0.083 0.000 0.874 363 E CB 0.500 30.220 29.700 0.034 0.000 1.033 363 E HN 0.489 nan 8.360 nan 0.000 0.409 364 M N 3.223 122.828 119.600 0.009 0.000 2.269 364 M HA 0.104 4.584 4.480 0.000 0.000 0.350 364 M C -2.203 174.131 176.300 0.056 0.000 1.429 364 M CA -1.592 53.669 55.300 -0.065 0.000 1.063 364 M CB -0.377 32.063 32.600 -0.268 0.000 1.841 364 M HN 0.170 nan 8.290 nan 0.000 0.455 365 P HA 0.128 nan 4.420 nan 0.000 0.274 365 P C 0.201 177.635 177.300 0.223 0.000 1.237 365 P CA -0.316 62.957 63.100 0.289 0.000 0.793 365 P CB 0.655 32.472 31.700 0.195 0.000 0.977 366 c N -0.435 118.305 118.600 0.233 0.000 2.539 366 c HA 0.137 4.707 4.570 0.000 0.000 0.268 366 c C 0.863 175.101 174.090 0.246 0.000 1.395 366 c CA 0.488 56.969 56.329 0.254 0.000 1.757 366 c CB -1.388 41.207 42.510 0.142 0.000 1.851 366 c HN 0.530 nan 8.230 nan 0.000 0.545 367 N N 0.517 119.338 118.700 0.202 0.000 2.410 367 N HA 0.517 5.257 4.740 0.000 0.000 0.287 367 N C -1.688 173.892 175.510 0.118 0.000 1.044 367 N CA 0.211 53.328 53.050 0.113 0.000 0.881 367 N CB 2.026 40.557 38.487 0.075 0.000 1.405 367 N HN -0.043 nan 8.380 nan 0.000 0.490 368 V N 1.861 121.827 119.914 0.087 0.000 2.686 368 V HA 0.469 4.589 4.120 0.000 0.000 0.306 368 V C -0.248 175.836 176.094 -0.017 0.000 1.065 368 V CA -0.589 61.753 62.300 0.070 0.000 0.894 368 V CB 2.142 34.066 31.823 0.168 0.000 1.004 368 V HN 0.551 nan 8.190 nan 0.000 0.424 369 T N 5.231 119.760 114.554 -0.042 0.000 2.772 369 T HA 0.484 4.834 4.350 0.000 0.000 0.288 369 T C -0.255 174.312 174.700 -0.223 0.000 0.994 369 T CA -0.370 61.637 62.100 -0.154 0.000 0.951 369 T CB 0.783 69.566 68.868 -0.142 0.000 0.933 369 T HN 0.659 nan 8.240 nan 0.000 0.447 370 R N 2.623 122.956 120.500 -0.279 0.000 2.532 370 R HA 0.485 4.825 4.340 0.000 0.000 0.295 370 R C -1.484 174.589 176.300 -0.378 0.000 0.968 370 R CA -0.680 55.293 56.100 -0.212 0.000 0.916 370 R CB 0.891 31.135 30.300 -0.094 0.000 1.124 370 R HN 0.530 nan 8.270 nan 0.000 0.463 371 Y N 1.597 121.909 120.300 0.020 0.000 2.464 371 Y HA 0.343 4.893 4.550 0.000 0.000 0.326 371 Y C 0.775 176.642 175.900 -0.055 0.000 0.969 371 Y CA -0.514 57.584 58.100 -0.003 0.000 1.270 371 Y CB 1.982 40.431 38.460 -0.018 0.000 1.103 371 Y HN 0.800 nan 8.280 nan 0.000 0.491 372 G N 3.618 112.444 108.800 0.044 0.000 2.442 372 G HA2 0.493 4.453 3.960 0.000 0.000 0.249 372 G HA3 0.493 4.453 3.960 0.000 0.000 0.249 372 G C -0.757 174.101 174.900 -0.071 0.000 1.263 372 G CA -0.626 44.463 45.100 -0.017 0.000 0.846 372 G HN 0.596 nan 8.290 nan 0.000 0.555 373 K N 1.021 121.346 120.400 -0.126 0.000 2.527 373 K HA 0.519 4.839 4.320 0.000 0.000 0.260 373 K C -1.347 175.129 176.600 -0.207 0.000 0.937 373 K CA -0.905 55.249 56.287 -0.221 0.000 0.826 373 K CB 2.699 35.002 32.500 -0.327 0.000 1.359 373 K HN 0.445 nan 8.250 nan 0.000 0.434 374 E N 2.538 122.609 120.200 -0.215 0.000 2.191 374 E HA 0.313 4.663 4.350 0.000 0.000 0.263 374 E C -1.198 175.308 176.600 -0.158 0.000 0.881 374 E CA -0.978 55.330 56.400 -0.154 0.000 0.757 374 E CB 1.709 31.349 29.700 -0.101 0.000 1.147 374 E HN 0.281 nan 8.360 nan 0.000 0.414 375 L N 2.254 123.394 121.223 -0.139 0.000 2.325 375 L HA 0.494 4.834 4.340 0.000 0.000 0.278 375 L C -0.033 176.830 176.870 -0.011 0.000 1.023 375 L CA -0.130 54.652 54.840 -0.096 0.000 0.811 375 L CB 1.700 43.667 42.059 -0.154 0.000 1.249 375 L HN 0.615 nan 8.230 nan 0.000 0.431 376 S N 2.387 118.135 115.700 0.080 0.000 2.596 376 S HA 0.947 5.417 4.470 0.000 0.000 0.270 376 S C -0.882 173.840 174.600 0.203 0.000 1.155 376 S CA -0.974 57.299 58.200 0.122 0.000 0.827 376 S CB 2.029 65.313 63.200 0.141 0.000 1.130 376 S HN 0.588 nan 8.310 nan 0.000 0.467 377 M N 0.325 120.031 119.600 0.178 0.000 2.569 377 M HA 0.839 5.319 4.480 0.000 0.000 0.279 377 M C -1.372 175.095 176.300 0.278 0.000 1.253 377 M CA -1.070 54.346 55.300 0.193 0.000 0.867 377 M CB 1.667 34.258 32.600 -0.015 0.000 1.727 377 M HN 0.964 nan 8.290 nan 0.000 0.467 378 V N -1.519 118.594 119.914 0.331 0.000 3.130 378 V HA 0.684 4.804 4.120 0.000 0.000 0.310 378 V C -0.826 175.441 176.094 0.287 0.000 1.158 378 V CA -0.920 61.559 62.300 0.299 0.000 1.029 378 V CB 1.951 33.932 31.823 0.264 0.000 1.057 378 V HN 1.062 nan 8.190 nan 0.000 0.436 379 K N 1.423 121.900 120.400 0.128 0.000 2.218 379 K HA 0.691 5.011 4.320 0.000 0.000 0.276 379 K C -1.171 175.361 176.600 -0.114 0.000 1.022 379 K CA -0.535 55.676 56.287 -0.126 0.000 0.946 379 K CB 1.244 33.652 32.500 -0.153 0.000 1.000 379 K HN 0.851 nan 8.250 nan 0.000 0.468 380 I N 5.779 126.226 120.570 -0.206 0.000 2.619 380 I HA 0.447 4.617 4.170 0.000 0.000 0.292 380 I C -2.557 173.471 176.117 -0.149 0.000 1.100 380 I CA -2.487 58.742 61.300 -0.118 0.000 1.043 380 I CB 2.476 40.432 38.000 -0.074 0.000 1.239 380 I HN 0.669 nan 8.210 nan 0.000 0.420 381 P HA 0.300 nan 4.420 nan 0.000 0.283 381 P C -0.908 176.371 177.300 -0.035 0.000 1.278 381 P CA -0.364 62.717 63.100 -0.031 0.000 0.834 381 P CB 1.545 33.251 31.700 0.010 0.000 1.150 382 S N 0.018 115.711 115.700 -0.010 0.000 2.645 382 S HA 0.220 4.690 4.470 0.000 0.000 0.266 382 S C 1.227 175.826 174.600 -0.003 0.000 1.258 382 S CA -0.501 57.693 58.200 -0.010 0.000 0.990 382 S CB 0.645 63.845 63.200 -0.001 0.000 0.967 382 S HN 0.343 nan 8.310 nan 0.000 0.556 383 K N 0.672 121.070 120.400 -0.004 0.000 2.147 383 K HA -0.077 4.243 4.320 0.000 0.000 0.205 383 K C 2.202 178.809 176.600 0.011 0.000 1.049 383 K CA 1.316 57.604 56.287 0.001 0.000 0.936 383 K CB -0.596 31.903 32.500 -0.001 0.000 0.722 383 K HN 0.741 nan 8.250 nan 0.000 0.446 384 A N 1.096 123.921 122.820 0.009 0.000 2.066 384 A HA -0.086 4.234 4.320 0.000 0.000 0.218 384 A C 2.013 179.612 177.584 0.025 0.000 1.157 384 A CA 1.619 53.662 52.037 0.010 0.000 0.670 384 A CB -0.197 18.801 19.000 -0.003 0.000 0.804 384 A HN 0.346 nan 8.150 nan 0.000 0.453 385 S N -1.551 114.171 115.700 0.036 0.000 2.512 385 S HA 0.442 4.912 4.470 0.000 0.000 0.216 385 S C 1.844 176.516 174.600 0.120 0.000 1.006 385 S CA 0.764 59.011 58.200 0.079 0.000 0.915 385 S CB -0.054 63.184 63.200 0.063 0.000 0.824 385 S HN 0.670 nan 8.310 nan 0.000 0.497 386 A N 2.696 125.561 122.820 0.074 0.000 1.908 386 A HA -0.108 4.212 4.320 0.000 0.000 0.218 386 A C 2.190 179.821 177.584 0.078 0.000 1.181 386 A CA 1.884 53.961 52.037 0.067 0.000 0.627 386 A CB -0.739 18.282 19.000 0.036 0.000 0.818 386 A HN 0.582 nan 8.150 nan 0.000 0.445 387 K N -1.984 118.462 120.400 0.076 0.000 2.057 387 K HA -0.172 4.149 4.320 0.000 0.000 0.206 387 K C 1.938 178.582 176.600 0.073 0.000 1.050 387 K CA 1.512 57.836 56.287 0.063 0.000 0.935 387 K CB -0.380 32.152 32.500 0.054 0.000 0.715 387 K HN 0.525 nan 8.250 nan 0.000 0.439 388 Y N 1.395 121.695 120.300 0.000 0.000 2.128 388 Y HA -0.220 4.330 4.550 0.000 0.000 0.284 388 Y C 1.610 177.504 175.900 -0.011 0.000 1.154 388 Y CA 1.681 59.773 58.100 -0.012 0.000 1.149 388 Y CB -0.180 38.274 38.460 -0.010 0.000 0.976 388 Y HN 0.004 nan 8.280 nan 0.000 0.505 389 L N -0.444 120.798 121.223 0.031 0.000 2.093 389 L HA -0.156 4.184 4.340 0.000 0.000 0.208 389 L C 2.797 179.682 176.870 0.026 0.000 1.085 389 L CA 1.000 55.856 54.840 0.026 0.000 0.755 389 L CB -0.974 41.206 42.059 0.201 0.000 0.904 389 L HN 0.326 nan 8.230 nan 0.000 0.435 390 A N -0.012 122.824 122.820 0.027 0.000 1.902 390 A HA -0.239 4.081 4.320 0.000 0.000 0.217 390 A C 2.293 179.845 177.584 -0.054 0.000 1.181 390 A CA 1.838 53.890 52.037 0.025 0.000 0.623 390 A CB -0.328 18.688 19.000 0.026 0.000 0.818 390 A HN 0.172 nan 8.150 nan 0.000 0.443 391 K N -0.097 120.228 120.400 -0.125 0.000 2.025 391 K HA -0.058 4.262 4.320 0.000 0.000 0.207 391 K C 2.068 178.499 176.600 -0.281 0.000 1.049 391 K CA 1.711 57.894 56.287 -0.172 0.000 0.933 391 K CB -0.240 32.159 32.500 -0.169 0.000 0.714 391 K HN 0.507 nan 8.250 nan 0.000 0.438 392 K N -0.838 119.271 120.400 -0.484 0.000 2.103 392 K HA -0.166 4.155 4.320 0.000 0.000 0.207 392 K C 0.857 177.012 176.600 -0.742 0.000 1.048 392 K CA 1.602 57.465 56.287 -0.707 0.000 0.930 392 K CB -0.028 31.845 32.500 -1.045 0.000 0.716 392 K HN 0.236 nan 8.250 nan 0.000 0.444 393 Y N -0.156 120.062 120.300 -0.136 0.000 2.507 393 Y HA 0.167 4.717 4.550 0.000 0.000 0.254 393 Y C -0.004 175.828 175.900 -0.114 0.000 1.171 393 Y CA -0.460 57.581 58.100 -0.099 0.000 1.238 393 Y CB 0.371 38.790 38.460 -0.067 0.000 1.148 393 Y HN 0.144 nan 8.280 nan 0.000 0.525 394 N N 1.561 120.230 118.700 -0.052 0.000 2.688 394 N HA -0.232 4.508 4.740 0.000 0.000 0.258 394 N C -1.156 174.303 175.510 -0.085 0.000 1.016 394 N CA 0.578 53.589 53.050 -0.065 0.000 0.747 394 N CB -0.704 37.744 38.487 -0.064 0.000 0.895 394 N HN 0.277 nan 8.380 nan 0.000 0.543 395 K N -0.474 119.883 120.400 -0.072 0.000 2.480 395 K HA 0.605 4.925 4.320 0.000 0.000 0.258 395 K C -0.359 176.224 176.600 -0.028 0.000 0.990 395 K CA -0.359 55.846 56.287 -0.137 0.000 0.857 395 K CB 1.316 33.693 32.500 -0.205 0.000 1.384 395 K HN 0.265 nan 8.250 nan 0.000 0.446 396 S N -0.256 115.449 115.700 0.008 0.000 2.614 396 S HA 0.149 4.619 4.470 0.000 0.000 0.265 396 S C 0.660 175.314 174.600 0.090 0.000 1.303 396 S CA -0.244 57.986 58.200 0.050 0.000 1.000 396 S CB 0.912 64.149 63.200 0.062 0.000 0.935 396 S HN 0.603 nan 8.310 nan 0.000 0.551 397 E N 0.261 120.498 120.200 0.061 0.000 2.153 397 E HA -0.221 4.129 4.350 0.000 0.000 0.194 397 E C 2.102 178.735 176.600 0.056 0.000 0.988 397 E CA 1.191 57.624 56.400 0.057 0.000 0.811 397 E CB -0.126 29.594 29.700 0.034 0.000 0.746 397 E HN 0.833 nan 8.360 nan 0.000 0.466 398 Q N -0.014 119.821 119.800 0.058 0.000 2.079 398 Q HA -0.228 4.112 4.340 0.000 0.000 0.200 398 Q C 2.006 178.031 176.000 0.043 0.000 0.974 398 Q CA 1.309 57.133 55.803 0.036 0.000 0.840 398 Q CB -0.182 28.576 28.738 0.034 0.000 0.898 398 Q HN 0.344 nan 8.270 nan 0.000 0.430 399 Y N 0.877 121.163 120.300 -0.023 0.000 2.165 399 Y HA -0.268 4.282 4.550 0.000 0.000 0.286 399 Y C 1.897 177.772 175.900 -0.040 0.000 1.155 399 Y CA 1.556 59.639 58.100 -0.029 0.000 1.164 399 Y CB -0.172 38.279 38.460 -0.015 0.000 0.978 399 Y HN 0.172 nan 8.280 nan 0.000 0.513 400 I N 0.244 120.931 120.570 0.196 0.000 2.151 400 I HA -0.281 3.889 4.170 0.000 0.000 0.243 400 I C 2.640 178.724 176.117 -0.055 0.000 1.080 400 I CA 1.823 63.181 61.300 0.096 0.000 1.339 400 I CB -2.005 36.055 38.000 0.101 0.000 1.039 400 I HN 0.421 nan 8.210 nan 0.000 0.409 401 G N 0.014 108.774 108.800 -0.066 0.000 2.471 401 G HA2 -0.181 3.779 3.960 0.000 0.000 0.219 401 G HA3 -0.181 3.779 3.960 0.000 0.000 0.219 401 G C 1.513 176.313 174.900 -0.166 0.000 1.125 401 G CA 0.267 45.295 45.100 -0.118 0.000 0.775 401 G HN 0.489 nan 8.290 nan 0.000 0.548 402 E N -0.305 119.771 120.200 -0.207 0.000 2.452 402 E HA 0.089 4.439 4.350 0.000 0.000 0.197 402 E C 1.294 177.698 176.600 -0.326 0.000 1.022 402 E CA -0.057 56.194 56.400 -0.248 0.000 0.890 402 E CB 0.283 29.828 29.700 -0.258 0.000 0.918 402 E HN 0.331 nan 8.360 nan 0.000 0.496 403 N N -0.062 118.403 118.700 -0.392 0.000 2.297 403 N HA 0.079 4.819 4.740 0.000 0.000 0.208 403 N C 0.027 175.401 175.510 -0.227 0.000 1.176 403 N CA 0.075 52.889 53.050 -0.393 0.000 0.882 403 N CB 1.516 39.565 38.487 -0.729 0.000 1.134 403 N HN 0.008 nan 8.380 nan 0.000 0.489 404 I N 2.926 123.391 120.570 -0.176 0.000 2.428 404 I HA 0.298 4.468 4.170 0.000 0.000 0.289 404 I C 0.071 176.118 176.117 -0.116 0.000 1.019 404 I CA -0.689 60.531 61.300 -0.133 0.000 1.351 404 I CB 0.642 38.583 38.000 -0.097 0.000 1.412 404 I HN -0.032 nan 8.210 nan 0.000 0.513 405 L N 5.358 126.511 121.223 -0.116 0.000 2.424 405 L HA 0.853 5.193 4.340 0.000 0.000 0.258 405 L C -1.038 175.768 176.870 -0.108 0.000 0.995 405 L CA -0.745 54.041 54.840 -0.090 0.000 0.821 405 L CB 1.834 43.846 42.059 -0.078 0.000 1.383 405 L HN 0.148 nan 8.230 nan 0.000 0.410 406 V N 2.498 122.354 119.914 -0.096 0.000 2.604 406 V HA 0.719 4.839 4.120 0.000 0.000 0.305 406 V C -1.009 175.004 176.094 -0.135 0.000 1.043 406 V CA -0.430 61.801 62.300 -0.114 0.000 0.888 406 V CB 1.859 33.616 31.823 -0.110 0.000 0.995 406 V HN 0.808 nan 8.190 nan 0.000 0.429 407 L N 3.937 125.089 121.223 -0.118 0.000 2.406 407 L HA 0.714 5.054 4.340 0.000 0.000 0.272 407 L C -1.213 175.641 176.870 -0.027 0.000 0.980 407 L CA 0.076 54.867 54.840 -0.082 0.000 0.831 407 L CB 1.852 43.870 42.059 -0.069 0.000 1.253 407 L HN 0.643 nan 8.230 nan 0.000 0.406 408 D N 5.730 126.135 120.400 0.008 0.000 2.408 408 D HA 0.577 5.218 4.640 0.000 0.000 0.243 408 D C -0.721 175.774 176.300 0.326 0.000 1.075 408 D CA 0.168 54.276 54.000 0.180 0.000 0.832 408 D CB 1.794 42.730 40.800 0.226 0.000 1.162 408 D HN 0.411 nan 8.370 nan 0.000 0.515 409 I N 4.073 124.851 120.570 0.347 0.000 2.389 409 I HA 0.511 4.681 4.170 0.000 0.000 0.288 409 I C -0.846 175.546 176.117 0.459 0.000 0.999 409 I CA -0.852 60.604 61.300 0.260 0.000 1.129 409 I CB 0.422 38.571 38.000 0.249 0.000 1.288 409 I HN 0.330 nan 8.210 nan 0.000 0.444 410 F N 4.102 124.126 119.950 0.124 0.000 2.923 410 F HA 0.690 5.217 4.527 0.000 0.000 0.323 410 F C -1.863 173.917 175.800 -0.034 0.000 1.189 410 F CA -1.462 56.676 58.000 0.230 0.000 0.930 410 F CB 0.896 40.020 39.000 0.207 0.000 1.414 410 F HN 0.008 nan 8.300 nan 0.000 0.496 411 F N 0.771 120.901 119.950 0.300 0.000 2.522 411 F HA 0.499 5.026 4.527 0.000 0.000 0.324 411 F C 0.305 176.247 175.800 0.236 0.000 1.077 411 F CA -0.876 57.214 58.000 0.151 0.000 0.944 411 F CB 1.849 40.959 39.000 0.184 0.000 1.175 411 F HN 0.693 nan 8.300 nan 0.000 0.468 412 E N 1.206 121.578 120.200 0.286 0.000 2.376 412 E HA 0.512 4.862 4.350 0.000 0.000 0.254 412 E C 0.680 177.420 176.600 0.233 0.000 1.213 412 E CA -0.259 56.287 56.400 0.242 0.000 0.945 412 E CB 0.751 30.533 29.700 0.137 0.000 1.057 412 E HN 0.629 nan 8.360 nan 0.000 0.479 413 A N 1.326 124.246 122.820 0.166 0.000 1.865 413 A HA -0.121 4.199 4.320 0.000 0.000 0.217 413 A C 1.611 179.270 177.584 0.125 0.000 1.191 413 A CA 1.057 53.171 52.037 0.129 0.000 0.623 413 A CB -0.849 18.205 19.000 0.089 0.000 0.826 413 A HN 0.567 nan 8.150 nan 0.000 0.444 414 L N 1.733 123.024 121.223 0.114 0.000 2.384 414 L HA 0.054 4.394 4.340 0.000 0.000 0.258 414 L C 0.683 177.644 176.870 0.152 0.000 1.266 414 L CA -0.354 54.552 54.840 0.110 0.000 1.162 414 L CB -0.361 41.744 42.059 0.077 0.000 1.375 414 L HN 0.586 nan 8.230 nan 0.000 0.420 415 N N 0.441 119.257 118.700 0.193 0.000 2.398 415 N HA -0.116 4.624 4.740 0.000 0.000 0.188 415 N C -0.401 175.291 175.510 0.304 0.000 1.122 415 N CA 0.149 53.364 53.050 0.275 0.000 0.866 415 N CB 0.106 38.733 38.487 0.234 0.000 0.970 415 N HN 0.348 nan 8.380 nan 0.000 0.462 416 Y N 0.168 120.504 120.300 0.061 0.000 2.361 416 Y HA 0.448 4.998 4.550 0.000 0.000 0.328 416 Y C -1.342 174.563 175.900 0.009 0.000 1.044 416 Y CA -1.378 56.737 58.100 0.025 0.000 1.085 416 Y CB 1.422 39.881 38.460 -0.002 0.000 1.194 416 Y HN 0.076 nan 8.280 nan 0.000 0.438 417 E N 3.336 123.279 120.200 -0.429 0.000 2.266 417 E HA 0.634 4.985 4.350 0.000 0.000 0.268 417 E C -1.463 174.799 176.600 -0.564 0.000 0.879 417 E CA -0.832 55.348 56.400 -0.367 0.000 0.762 417 E CB 1.686 31.274 29.700 -0.186 0.000 1.199 417 E HN 0.653 nan 8.360 nan 0.000 0.422 418 T N 1.525 115.843 114.554 -0.393 0.000 2.848 418 T HA 0.610 4.960 4.350 0.000 0.000 0.285 418 T C -0.216 174.362 174.700 -0.205 0.000 0.995 418 T CA -0.740 61.161 62.100 -0.333 0.000 0.970 418 T CB 0.580 69.290 68.868 -0.263 0.000 0.976 418 T HN 0.351 nan 8.240 nan 0.000 0.441 419 I N 2.387 122.834 120.570 -0.206 0.000 2.466 419 I HA 0.429 4.599 4.170 0.000 0.000 0.279 419 I C -0.264 175.718 176.117 -0.225 0.000 1.033 419 I CA -0.583 60.614 61.300 -0.172 0.000 1.123 419 I CB 1.602 39.510 38.000 -0.153 0.000 1.237 419 I HN 0.760 nan 8.210 nan 0.000 0.460 420 E N 6.317 126.413 120.200 -0.173 0.000 2.210 420 E HA 0.385 4.735 4.350 0.000 0.000 0.266 420 E C -1.106 175.414 176.600 -0.134 0.000 0.883 420 E CA -0.659 55.627 56.400 -0.191 0.000 0.761 420 E CB 1.672 31.286 29.700 -0.144 0.000 1.156 420 E HN 0.490 nan 8.360 nan 0.000 0.412 421 Q N 3.203 122.903 119.800 -0.167 0.000 2.279 421 Q HA 0.316 4.656 4.340 0.000 0.000 0.256 421 Q C -0.682 175.261 176.000 -0.095 0.000 0.937 421 Q CA 0.031 55.766 55.803 -0.114 0.000 0.933 421 Q CB 1.528 30.138 28.738 -0.212 0.000 1.189 421 Q HN 0.273 nan 8.270 nan 0.000 0.417 422 K N 1.942 122.327 120.400 -0.024 0.000 2.426 422 K HA 0.333 4.653 4.320 0.000 0.000 0.251 422 K C -0.974 175.600 176.600 -0.043 0.000 0.941 422 K CA -0.947 55.297 56.287 -0.072 0.000 0.808 422 K CB 2.062 34.530 32.500 -0.053 0.000 1.265 422 K HN 0.328 nan 8.250 nan 0.000 0.432 423 K N 1.236 121.522 120.400 -0.190 0.000 2.419 423 K HA 0.002 4.322 4.320 0.000 0.000 0.282 423 K C 0.718 177.330 176.600 0.021 0.000 1.056 423 K CA -0.075 56.109 56.287 -0.171 0.000 1.035 423 K CB 0.598 32.855 32.500 -0.406 0.000 0.921 423 K HN 0.664 nan 8.250 nan 0.000 0.472 424 A N 3.661 126.554 122.820 0.122 0.000 2.119 424 A HA -0.100 4.220 4.320 0.000 0.000 0.216 424 A C -0.021 177.717 177.584 0.257 0.000 1.152 424 A CA 0.992 53.120 52.037 0.152 0.000 0.708 424 A CB 0.002 19.085 19.000 0.138 0.000 0.805 424 A HN 0.704 nan 8.150 nan 0.000 0.460 425 Y N 0.605 120.926 120.300 0.034 0.000 2.359 425 Y HA 0.386 4.936 4.550 0.000 0.000 0.336 425 Y C -0.400 175.572 175.900 0.119 0.000 1.098 425 Y CA -1.363 56.773 58.100 0.061 0.000 1.272 425 Y CB 0.492 38.929 38.460 -0.039 0.000 1.112 425 Y HN 0.308 nan 8.280 nan 0.000 0.481 426 E N 2.363 122.530 120.200 -0.055 0.000 2.302 426 E HA 0.301 4.651 4.350 0.000 0.000 0.255 426 E C 0.684 177.193 176.600 -0.152 0.000 1.099 426 E CA -0.647 55.765 56.400 0.020 0.000 0.929 426 E CB 1.589 31.294 29.700 0.009 0.000 1.203 426 E HN 0.388 nan 8.360 nan 0.000 0.459 427 V N 0.964 120.828 119.914 -0.085 0.000 2.282 427 V HA -0.340 3.780 4.120 0.000 0.000 0.249 427 V C 2.123 178.088 176.094 -0.215 0.000 1.057 427 V CA 2.530 64.695 62.300 -0.225 0.000 1.032 427 V CB -0.996 30.740 31.823 -0.145 0.000 0.645 427 V HN 0.832 nan 8.190 nan 0.000 0.447 428 A N 0.553 123.290 122.820 -0.138 0.000 1.917 428 A HA -0.190 4.130 4.320 0.000 0.000 0.219 428 A C 2.418 179.928 177.584 -0.124 0.000 1.182 428 A CA 2.306 54.280 52.037 -0.104 0.000 0.633 428 A CB -1.301 17.662 19.000 -0.062 0.000 0.819 428 A HN 0.577 nan 8.150 nan 0.000 0.448 429 G N -0.680 108.007 108.800 -0.189 0.000 2.408 429 G HA2 -0.046 3.914 3.960 0.000 0.000 0.217 429 G HA3 -0.046 3.914 3.960 0.000 0.000 0.217 429 G C 1.456 176.222 174.900 -0.224 0.000 1.150 429 G CA 1.083 46.085 45.100 -0.164 0.000 0.776 429 G HN 0.473 nan 8.290 nan 0.000 0.542 430 L N 0.237 121.161 121.223 -0.498 0.000 1.994 430 L HA 0.042 4.382 4.340 0.000 0.000 0.208 430 L C 2.606 179.415 176.870 -0.101 0.000 1.071 430 L CA 1.512 56.173 54.840 -0.297 0.000 0.745 430 L CB -0.674 41.132 42.059 -0.420 0.000 0.892 430 L HN 0.118 nan 8.230 nan 0.000 0.431 431 L N 0.215 121.360 121.223 -0.131 0.000 2.042 431 L HA -0.096 4.244 4.340 0.000 0.000 0.210 431 L C 2.617 179.467 176.870 -0.034 0.000 1.076 431 L CA 1.961 56.755 54.840 -0.076 0.000 0.749 431 L CB -1.911 40.100 42.059 -0.079 0.000 0.893 431 L HN 0.408 nan 8.230 nan 0.000 0.432 432 G N -1.172 107.613 108.800 -0.026 0.000 2.462 432 G HA2 -0.238 3.722 3.960 0.000 0.000 0.220 432 G HA3 -0.238 3.722 3.960 0.000 0.000 0.220 432 G C 1.235 176.152 174.900 0.028 0.000 1.121 432 G CA 0.937 46.039 45.100 0.005 0.000 0.758 432 G HN 0.390 nan 8.290 nan 0.000 0.559 433 D N -0.315 120.117 120.400 0.054 0.000 2.354 433 D HA 0.137 4.777 4.640 0.000 0.000 0.209 433 D C 2.200 178.522 176.300 0.037 0.000 1.015 433 D CA 0.131 54.174 54.000 0.071 0.000 0.867 433 D CB 0.534 41.426 40.800 0.153 0.000 0.933 433 D HN 0.403 nan 8.370 nan 0.000 0.520 434 I N 0.141 120.720 120.570 0.014 0.000 3.445 434 I HA 0.052 4.222 4.170 0.000 0.000 0.288 434 I C 2.449 178.558 176.117 -0.012 0.000 1.198 434 I CA 0.277 61.572 61.300 -0.008 0.000 1.417 434 I CB 0.015 37.998 38.000 -0.028 0.000 1.205 434 I HN -0.099 nan 8.210 nan 0.000 0.448 435 G N 1.255 110.049 108.800 -0.010 0.000 2.517 435 G HA2 -0.246 3.714 3.960 0.000 0.000 0.222 435 G HA3 -0.246 3.714 3.960 0.000 0.000 0.222 435 G C 1.581 176.482 174.900 0.002 0.000 1.109 435 G CA 1.136 46.233 45.100 -0.006 0.000 0.746 435 G HN 0.491 nan 8.290 nan 0.000 0.576 436 G N -0.072 108.730 108.800 0.003 0.000 2.454 436 G HA2 -0.149 3.811 3.960 0.000 0.000 0.214 436 G HA3 -0.149 3.811 3.960 0.000 0.000 0.214 436 G C 1.745 176.649 174.900 0.008 0.000 1.217 436 G CA 1.223 46.327 45.100 0.005 0.000 0.799 436 G HN 0.460 nan 8.290 nan 0.000 0.538 437 Q N -0.081 119.721 119.800 0.003 0.000 2.084 437 Q HA 0.007 4.347 4.340 0.000 0.000 0.202 437 Q C 2.417 178.431 176.000 0.023 0.000 0.978 437 Q CA 1.601 57.406 55.803 0.004 0.000 0.844 437 Q CB -0.388 28.341 28.738 -0.015 0.000 0.898 437 Q HN 0.520 nan 8.270 nan 0.000 0.426 438 M N -1.242 118.363 119.600 0.010 0.000 2.279 438 M HA -0.061 4.419 4.480 0.000 0.000 0.264 438 M C 1.646 178.001 176.300 0.092 0.000 1.062 438 M CA 1.729 57.049 55.300 0.033 0.000 1.099 438 M CB -0.240 32.355 32.600 -0.008 0.000 1.394 438 M HN 0.344 nan 8.290 nan 0.000 0.426 439 G N 0.431 109.262 108.800 0.051 0.000 2.394 439 G HA2 -0.146 3.814 3.960 0.000 0.000 0.215 439 G HA3 -0.146 3.814 3.960 0.000 0.000 0.215 439 G C 1.157 176.079 174.900 0.038 0.000 1.165 439 G CA 0.419 45.544 45.100 0.041 0.000 0.784 439 G HN 0.364 nan 8.290 nan 0.000 0.535 440 L N -0.235 121.009 121.223 0.036 0.000 2.093 440 L HA 0.122 4.462 4.340 0.000 0.000 0.208 440 L C 2.380 179.253 176.870 0.005 0.000 1.085 440 L CA 0.997 55.845 54.840 0.014 0.000 0.755 440 L CB -0.944 41.122 42.059 0.011 0.000 0.904 440 L HN 0.310 nan 8.230 nan 0.000 0.435 441 F N -0.026 119.860 119.950 -0.106 0.000 2.146 441 F HA -0.181 4.346 4.527 0.000 0.000 0.298 441 F C 2.312 178.028 175.800 -0.140 0.000 1.096 441 F CA 1.412 59.311 58.000 -0.168 0.000 1.275 441 F CB -0.089 38.806 39.000 -0.174 0.000 1.008 441 F HN -0.032 nan 8.300 nan 0.000 0.480 442 I N 0.252 120.804 120.570 -0.029 0.000 2.252 442 I HA -0.212 3.958 4.170 0.000 0.000 0.245 442 I C 2.741 178.774 176.117 -0.140 0.000 1.102 442 I CA 1.323 62.568 61.300 -0.092 0.000 1.385 442 I CB -1.357 36.664 38.000 0.036 0.000 1.064 442 I HN 0.321 nan 8.210 nan 0.000 0.414 443 G N 0.598 109.341 108.800 -0.095 0.000 2.422 443 G HA2 -0.222 3.738 3.960 0.000 0.000 0.218 443 G HA3 -0.222 3.738 3.960 0.000 0.000 0.218 443 G C 1.822 176.658 174.900 -0.107 0.000 1.146 443 G CA 0.836 45.890 45.100 -0.076 0.000 0.769 443 G HN 0.496 nan 8.290 nan 0.000 0.547 444 A N 0.434 123.142 122.820 -0.188 0.000 1.970 444 A HA 0.172 4.492 4.320 0.000 0.000 0.216 444 A C 2.670 180.153 177.584 -0.168 0.000 1.170 444 A CA 1.919 53.836 52.037 -0.199 0.000 0.645 444 A CB -0.316 18.498 19.000 -0.309 0.000 0.816 444 A HN 0.291 nan 8.150 nan 0.000 0.447 445 S N 0.245 115.766 115.700 -0.299 0.000 2.345 445 S HA -0.090 4.380 4.470 0.000 0.000 0.220 445 S C 1.802 176.381 174.600 -0.036 0.000 1.031 445 S CA 1.338 59.493 58.200 -0.074 0.000 0.996 445 S CB -0.337 62.722 63.200 -0.236 0.000 0.882 445 S HN 0.468 nan 8.310 nan 0.000 0.445 446 I N 1.898 122.420 120.570 -0.080 0.000 2.264 446 I HA -0.109 4.061 4.170 0.000 0.000 0.248 446 I C 2.226 178.312 176.117 -0.052 0.000 1.111 446 I CA 0.991 62.244 61.300 -0.079 0.000 1.382 446 I CB -1.311 36.649 38.000 -0.066 0.000 1.060 446 I HN 0.286 nan 8.210 nan 0.000 0.418 447 L N 0.692 121.903 121.223 -0.019 0.000 2.056 447 L HA -0.170 4.170 4.340 0.000 0.000 0.207 447 L C 2.360 179.293 176.870 0.106 0.000 1.078 447 L CA 1.909 56.769 54.840 0.034 0.000 0.749 447 L CB -1.045 41.032 42.059 0.030 0.000 0.901 447 L HN 0.224 nan 8.230 nan 0.000 0.433 448 T N -0.426 114.182 114.554 0.089 0.000 2.812 448 T HA -0.099 4.251 4.350 0.000 0.000 0.264 448 T C 2.107 176.909 174.700 0.170 0.000 1.042 448 T CA 1.312 63.486 62.100 0.124 0.000 1.140 448 T CB -0.171 68.639 68.868 -0.097 0.000 0.870 448 T HN 0.163 nan 8.240 nan 0.000 0.445 449 V N 1.924 121.832 119.914 -0.010 0.000 2.233 449 V HA -0.171 3.949 4.120 0.000 0.000 0.247 449 V C 2.534 178.525 176.094 -0.172 0.000 1.050 449 V CA 1.639 63.847 62.300 -0.152 0.000 1.010 449 V CB -0.855 30.737 31.823 -0.385 0.000 0.637 449 V HN 0.421 nan 8.190 nan 0.000 0.444 450 L N -0.205 120.929 121.223 -0.149 0.000 1.990 450 L HA -0.262 4.078 4.340 0.000 0.000 0.213 450 L C 2.643 179.585 176.870 0.121 0.000 1.072 450 L CA 2.112 56.923 54.840 -0.049 0.000 0.755 450 L CB -0.846 41.200 42.059 -0.022 0.000 0.889 450 L HN 0.405 nan 8.230 nan 0.000 0.432 451 E N -0.187 120.112 120.200 0.166 0.000 2.204 451 E HA -0.249 4.101 4.350 0.000 0.000 0.195 451 E C 2.087 178.762 176.600 0.126 0.000 0.990 451 E CA 0.974 57.461 56.400 0.145 0.000 0.821 451 E CB -0.145 29.687 29.700 0.220 0.000 0.750 451 E HN 0.295 nan 8.360 nan 0.000 0.477 452 L N -0.132 121.288 121.223 0.328 0.000 2.179 452 L HA -0.039 4.301 4.340 0.000 0.000 0.208 452 L C 1.267 178.385 176.870 0.413 0.000 1.096 452 L CA 1.297 56.361 54.840 0.372 0.000 0.779 452 L CB -0.017 42.369 42.059 0.546 0.000 0.922 452 L HN -0.040 nan 8.230 nan 0.000 0.443 453 F N -0.200 119.797 119.950 0.078 0.000 2.676 453 F HA 0.114 4.641 4.527 0.000 0.000 0.300 453 F C 1.394 177.211 175.800 0.027 0.000 1.160 453 F CA -0.027 58.002 58.000 0.049 0.000 1.401 453 F CB -0.511 38.515 39.000 0.042 0.000 1.037 453 F HN 0.220 nan 8.300 nan 0.000 0.522 454 D N -2.537 117.970 120.400 0.178 0.000 2.559 454 D HA -0.077 4.563 4.640 0.000 0.000 0.296 454 D C 1.788 178.105 176.300 0.028 0.000 1.118 454 D CA 0.165 54.212 54.000 0.079 0.000 0.967 454 D CB -0.542 40.294 40.800 0.061 0.000 1.607 454 D HN 0.225 nan 8.370 nan 0.000 0.493 455 Y N 2.544 122.787 120.300 -0.096 0.000 2.384 455 Y HA -0.012 4.538 4.550 0.000 0.000 0.289 455 Y C 0.941 176.783 175.900 -0.096 0.000 1.152 455 Y CA 0.944 58.959 58.100 -0.142 0.000 1.258 455 Y CB 0.024 38.334 38.460 -0.251 0.000 0.979 455 Y HN -0.089 nan 8.280 nan 0.000 0.549 456 A N 0.000 122.795 122.820 -0.041 0.000 2.254 456 A HA 0.000 4.320 4.320 0.000 0.000 0.244 456 A CA 0.000 51.974 52.037 -0.105 0.000 0.836 456 A CB 0.000 18.970 19.000 -0.050 0.000 0.831 456 A HN 0.000 nan 8.150 nan 0.000 0.486