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_B 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 LFDYAYEVIK 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 0.000 176.888 176.870 0.030 0.000 1.165 42 L CA 0.000 54.853 54.840 0.023 0.000 0.813 42 L CB 0.000 42.075 42.059 0.027 0.000 0.961 43 K N 2.798 123.215 120.400 0.028 0.000 2.743 43 K HA 0.057 4.377 4.320 -0.000 0.000 0.219 43 K C 1.231 177.870 176.600 0.066 0.000 1.003 43 K CA 0.273 56.588 56.287 0.046 0.000 1.156 43 K CB 0.035 32.560 32.500 0.042 0.000 0.932 43 K HN 0.493 nan 8.250 nan 0.000 0.490 44 R N -0.225 120.306 120.500 0.051 0.000 2.297 44 R HA 0.014 4.354 4.340 -0.000 0.000 0.197 44 R C 1.224 177.602 176.300 0.130 0.000 0.943 44 R CA 0.262 56.396 56.100 0.056 0.000 1.038 44 R CB 0.321 30.622 30.300 0.003 0.000 0.957 44 R HN 0.079 nan 8.270 nan 0.000 0.484 45 V N 0.297 120.273 119.914 0.103 0.000 2.427 45 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 45 V C 1.673 177.850 176.094 0.140 0.000 1.051 45 V CA 1.185 63.544 62.300 0.099 0.000 1.048 45 V CB 0.037 31.899 31.823 0.065 0.000 0.666 45 V HN 0.102 nan 8.190 nan 0.000 0.456 46 V N -0.066 119.941 119.914 0.155 0.000 3.515 46 V HA -0.064 4.056 4.120 -0.000 0.000 0.298 46 V C 1.152 177.398 176.094 0.254 0.000 1.206 46 V CA 1.057 63.452 62.300 0.158 0.000 1.253 46 V CB -1.019 30.884 31.823 0.134 0.000 1.035 46 V HN 0.795 nan 8.190 nan 0.000 0.428 47 W N -0.528 120.806 121.300 0.057 0.000 3.330 47 W HA 0.262 4.922 4.660 -0.000 0.000 0.194 47 W C 1.782 178.363 176.519 0.103 0.000 1.041 47 W CA 0.733 58.135 57.345 0.094 0.000 1.399 47 W CB 0.590 30.079 29.460 0.049 0.000 0.694 47 W HN 0.226 nan 8.180 nan 0.000 0.832 48 A N 1.027 124.009 122.820 0.270 0.000 2.072 48 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 48 A C 1.860 179.520 177.584 0.127 0.000 1.156 48 A CA 0.935 53.048 52.037 0.127 0.000 0.701 48 A CB -0.663 18.363 19.000 0.042 0.000 0.816 48 A HN 0.206 nan 8.150 nan 0.000 0.458 49 L N -1.065 120.229 121.223 0.119 0.000 2.179 49 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 49 L C 2.468 179.382 176.870 0.073 0.000 1.096 49 L CA 0.630 55.519 54.840 0.082 0.000 0.779 49 L CB -0.645 41.451 42.059 0.061 0.000 0.922 49 L HN 0.436 nan 8.230 nan 0.000 0.443 50 C N -0.329 119.017 119.300 0.077 0.000 2.429 50 C HA -0.161 4.299 4.460 -0.000 0.000 0.277 50 C C 2.655 177.625 174.990 -0.033 0.000 1.262 50 C CA 0.579 59.585 59.018 -0.020 0.000 1.733 50 C CB -0.853 26.807 27.740 -0.132 0.000 2.010 50 C HN 0.398 nan 8.230 nan 0.000 0.483 51 F N 0.619 120.497 119.950 -0.120 0.000 2.163 51 F HA -0.050 4.477 4.527 -0.000 0.000 0.297 51 F C 2.460 178.217 175.800 -0.072 0.000 1.094 51 F CA 1.331 59.271 58.000 -0.101 0.000 1.290 51 F CB -0.752 38.201 39.000 -0.079 0.000 1.017 51 F HN 0.150 nan 8.300 nan 0.000 0.483 52 M N -0.517 119.172 119.600 0.150 0.000 2.099 52 M HA -0.063 4.417 4.480 -0.000 0.000 0.262 52 M C 2.625 178.955 176.300 0.050 0.000 1.067 52 M CA 1.797 57.145 55.300 0.081 0.000 1.124 52 M CB -1.271 31.370 32.600 0.068 0.000 1.353 52 M HN 0.233 nan 8.290 nan 0.000 0.410 53 G N -0.518 108.303 108.800 0.034 0.000 2.442 53 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 53 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 53 G C 1.625 176.524 174.900 -0.002 0.000 1.141 53 G CA 1.310 46.419 45.100 0.015 0.000 0.763 53 G HN 0.456 nan 8.290 nan 0.000 0.554 54 S N 0.097 115.773 115.700 -0.041 0.000 2.353 54 S HA -0.021 4.449 4.470 -0.000 0.000 0.222 54 S C 2.377 176.965 174.600 -0.020 0.000 1.035 54 S CA 1.125 59.280 58.200 -0.076 0.000 1.025 54 S CB -0.313 62.773 63.200 -0.190 0.000 0.902 54 S HN 0.308 nan 8.310 nan 0.000 0.440 55 L N 0.934 122.147 121.223 -0.016 0.000 2.362 55 L HA 0.024 4.364 4.340 -0.000 0.000 0.219 55 L C 2.711 179.709 176.870 0.213 0.000 1.134 55 L CA 0.674 55.542 54.840 0.047 0.000 0.807 55 L CB -0.607 41.401 42.059 -0.085 0.000 0.927 55 L HN 0.416 nan 8.230 nan 0.000 0.447 56 A N 0.340 123.230 122.820 0.116 0.000 1.840 56 A HA -0.130 4.190 4.320 -0.000 0.000 0.214 56 A C 2.148 179.787 177.584 0.091 0.000 1.198 56 A CA 0.976 53.075 52.037 0.104 0.000 0.608 56 A CB -0.485 18.551 19.000 0.061 0.000 0.839 56 A HN 0.178 nan 8.150 nan 0.000 0.443 57 L N -0.100 121.162 121.223 0.064 0.000 1.971 57 L HA -0.215 4.125 4.340 -0.000 0.000 0.215 57 L C 2.701 179.610 176.870 0.065 0.000 1.072 57 L CA 1.859 56.726 54.840 0.046 0.000 0.758 57 L CB -1.676 40.396 42.059 0.023 0.000 0.889 57 L HN 0.412 nan 8.230 nan 0.000 0.433 58 L N -0.395 120.894 121.223 0.110 0.000 2.013 58 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 58 L C 2.803 179.723 176.870 0.083 0.000 1.073 58 L CA 1.484 56.410 54.840 0.144 0.000 0.753 58 L CB -0.803 41.430 42.059 0.291 0.000 0.890 58 L HN 0.290 nan 8.230 nan 0.000 0.432 59 A N -0.228 122.663 122.820 0.119 0.000 1.933 59 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 59 A C 2.208 179.760 177.584 -0.054 0.000 1.175 59 A CA 1.707 53.692 52.037 -0.086 0.000 0.628 59 A CB -0.613 18.419 19.000 0.053 0.000 0.814 59 A HN 0.331 nan 8.150 nan 0.000 0.444 60 L N -0.077 121.150 121.223 0.006 0.000 2.027 60 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 60 L C 2.396 179.262 176.870 -0.006 0.000 1.074 60 L CA 1.927 56.769 54.840 0.003 0.000 0.745 60 L CB -0.560 41.508 42.059 0.014 0.000 0.898 60 L HN 0.151 nan 8.230 nan 0.000 0.433 61 V N -1.201 118.712 119.914 -0.002 0.000 2.407 61 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 61 V C 2.584 178.672 176.094 -0.010 0.000 1.055 61 V CA 1.826 64.124 62.300 -0.004 0.000 1.049 61 V CB -0.865 30.961 31.823 0.004 0.000 0.662 61 V HN 0.627 nan 8.190 nan 0.000 0.455 62 C N -0.626 118.653 119.300 -0.036 0.000 2.486 62 C HA -0.096 4.364 4.460 -0.000 0.000 0.279 62 C C 2.980 177.956 174.990 -0.023 0.000 1.302 62 C CA 1.381 60.369 59.018 -0.050 0.000 1.720 62 C CB -1.094 26.564 27.740 -0.136 0.000 2.030 62 C HN 0.585 nan 8.230 nan 0.000 0.490 63 T N 1.350 115.885 114.554 -0.032 0.000 2.759 63 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 63 T C 1.582 176.311 174.700 0.048 0.000 1.042 63 T CA 1.873 63.978 62.100 0.008 0.000 1.140 63 T CB -0.560 68.306 68.868 -0.004 0.000 0.864 63 T HN 0.614 nan 8.240 nan 0.000 0.455 64 N N 1.270 119.988 118.700 0.030 0.000 2.007 64 N HA -0.167 4.573 4.740 -0.000 0.000 0.197 64 N C 1.906 177.458 175.510 0.071 0.000 1.050 64 N CA 1.457 54.526 53.050 0.031 0.000 0.856 64 N CB -0.039 38.446 38.487 -0.004 0.000 1.050 64 N HN 0.085 nan 8.380 nan 0.000 0.423 65 R N 0.095 120.647 120.500 0.086 0.000 2.148 65 R HA 0.100 4.440 4.340 -0.000 0.000 0.223 65 R C 2.244 178.721 176.300 0.294 0.000 1.088 65 R CA 0.519 56.731 56.100 0.187 0.000 0.985 65 R CB -0.769 29.660 30.300 0.216 0.000 0.880 65 R HN 0.479 nan 8.270 nan 0.000 0.451 66 I N 0.650 121.328 120.570 0.180 0.000 2.353 66 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 66 I C 2.636 178.921 176.117 0.280 0.000 1.119 66 I CA 1.091 62.490 61.300 0.166 0.000 1.417 66 I CB -0.226 37.851 38.000 0.128 0.000 1.078 66 I HN 0.174 nan 8.210 nan 0.000 0.421 67 Q N 0.075 120.026 119.800 0.252 0.000 2.167 67 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 67 Q C 2.230 178.370 176.000 0.232 0.000 0.970 67 Q CA 1.588 57.543 55.803 0.253 0.000 0.855 67 Q CB -0.112 28.720 28.738 0.158 0.000 0.911 67 Q HN 0.499 nan 8.270 nan 0.000 0.438 68 Y N -0.219 120.128 120.300 0.078 0.000 2.133 68 Y HA -0.295 4.255 4.550 -0.000 0.000 0.287 68 Y C 1.927 177.838 175.900 0.019 0.000 1.134 68 Y CA 1.836 59.941 58.100 0.009 0.000 1.133 68 Y CB -0.809 37.595 38.460 -0.094 0.000 0.987 68 Y HN 0.280 nan 8.280 nan 0.000 0.502 69 Y N -0.354 119.938 120.300 -0.014 0.000 2.139 69 Y HA -0.322 4.228 4.550 -0.000 0.000 0.282 69 Y C 1.625 177.094 175.900 -0.719 0.000 1.179 69 Y CA 2.102 60.063 58.100 -0.233 0.000 1.161 69 Y CB -0.905 37.366 38.460 -0.315 0.000 0.970 69 Y HN 0.108 nan 8.280 nan 0.000 0.511 70 F N -0.208 119.528 119.950 -0.357 0.000 2.802 70 F HA 0.010 4.537 4.527 -0.000 0.000 0.300 70 F C 1.569 177.094 175.800 -0.459 0.000 1.168 70 F CA 0.527 58.184 58.000 -0.571 0.000 1.433 70 F CB -0.292 38.629 39.000 -0.132 0.000 1.115 70 F HN 0.110 nan 8.300 nan 0.000 0.582 71 L N -1.791 119.259 121.223 -0.287 0.000 2.529 71 L HA 0.002 4.342 4.340 -0.000 0.000 0.223 71 L C 0.057 176.862 176.870 -0.109 0.000 1.113 71 L CA 0.030 54.798 54.840 -0.119 0.000 0.861 71 L CB -0.388 41.595 42.059 -0.127 0.000 1.012 71 L HN 0.075 nan 8.230 nan 0.000 0.461 72 Y N -0.451 119.632 120.300 -0.363 0.000 2.988 72 Y HA -0.180 4.370 4.550 -0.000 0.000 0.193 72 Y C -1.835 174.020 175.900 -0.075 0.000 1.388 72 Y CA -0.974 56.886 58.100 -0.400 0.000 0.904 72 Y CB -1.801 36.211 38.460 -0.746 0.000 1.297 72 Y HN 0.233 nan 8.280 nan 0.000 0.432 73 P HA 0.094 nan 4.420 nan 0.000 0.272 73 P C -0.176 177.270 177.300 0.244 0.000 1.230 73 P CA 0.351 63.468 63.100 0.029 0.000 0.788 73 P CB 1.130 32.685 31.700 -0.243 0.000 0.949 74 H N -1.248 117.899 119.070 0.127 0.000 2.894 74 H HA 0.657 5.213 4.556 -0.000 0.000 0.368 74 H C -1.596 173.776 175.328 0.073 0.000 1.181 74 H CA -1.183 54.933 56.048 0.112 0.000 1.146 74 H CB 1.178 31.015 29.762 0.124 0.000 1.839 74 H HN 0.113 nan 8.280 nan 0.000 0.557 75 V N 1.051 120.989 119.914 0.040 0.000 2.735 75 V HA 0.321 4.441 4.120 -0.000 0.000 0.310 75 V C -0.119 176.024 176.094 0.083 0.000 1.061 75 V CA -0.742 61.544 62.300 -0.022 0.000 0.913 75 V CB 1.970 33.796 31.823 0.005 0.000 1.005 75 V HN 0.929 nan 8.190 nan 0.000 0.428 76 T N 4.273 118.861 114.554 0.058 0.000 2.756 76 T HA 0.385 4.735 4.350 -0.000 0.000 0.290 76 T C -0.280 174.424 174.700 0.008 0.000 0.985 76 T CA -0.573 61.567 62.100 0.066 0.000 0.955 76 T CB 0.478 69.401 68.868 0.092 0.000 0.930 76 T HN 0.514 nan 8.240 nan 0.000 0.451 77 K N 2.756 123.147 120.400 -0.014 0.000 2.201 77 K HA 0.545 4.865 4.320 -0.000 0.000 0.278 77 K C -0.688 175.883 176.600 -0.048 0.000 1.027 77 K CA -0.818 55.452 56.287 -0.028 0.000 0.909 77 K CB 1.316 33.799 32.500 -0.030 0.000 1.062 77 K HN 0.307 nan 8.250 nan 0.000 0.465 78 L N 2.077 123.274 121.223 -0.042 0.000 2.346 78 L HA 0.545 4.885 4.340 -0.000 0.000 0.274 78 L C -1.325 175.514 176.870 -0.051 0.000 1.007 78 L CA -0.023 54.784 54.840 -0.056 0.000 0.818 78 L CB 1.743 43.776 42.059 -0.044 0.000 1.284 78 L HN 0.547 nan 8.230 nan 0.000 0.424 79 D N 2.719 123.077 120.400 -0.070 0.000 2.803 79 D HA 0.327 4.967 4.640 -0.000 0.000 0.218 79 D C -1.683 174.573 176.300 -0.072 0.000 1.245 79 D CA -0.293 53.675 54.000 -0.054 0.000 0.821 79 D CB 2.252 43.030 40.800 -0.037 0.000 1.626 79 D HN 0.622 nan 8.370 nan 0.000 0.487 80 E N 1.614 121.793 120.200 -0.035 0.000 2.255 80 E HA 0.513 4.863 4.350 -0.000 0.000 0.256 80 E C -0.947 175.666 176.600 0.021 0.000 0.887 80 E CA -0.670 55.716 56.400 -0.024 0.000 0.782 80 E CB 1.715 31.405 29.700 -0.018 0.000 1.214 80 E HN 0.312 nan 8.360 nan 0.000 0.417 81 V N -0.158 119.793 119.914 0.061 0.000 3.165 81 V HA 0.901 5.021 4.120 -0.000 0.000 0.309 81 V C -0.921 175.246 176.094 0.121 0.000 1.267 81 V CA -0.932 61.420 62.300 0.087 0.000 1.067 81 V CB 1.667 33.547 31.823 0.095 0.000 1.082 81 V HN 0.592 nan 8.190 nan 0.000 0.451 82 A N 1.092 123.968 122.820 0.094 0.000 2.582 82 A HA 0.893 5.213 4.320 -0.000 0.000 0.336 82 A C 0.453 178.074 177.584 0.061 0.000 1.445 82 A CA 0.072 52.161 52.037 0.086 0.000 0.997 82 A CB -0.550 18.490 19.000 0.066 0.000 1.148 82 A HN 2.036 nan 8.150 nan 0.000 0.514 83 A N 2.314 125.167 122.820 0.055 0.000 2.386 83 A HA 0.621 4.941 4.320 -0.000 0.000 0.248 83 A C 0.890 178.442 177.584 -0.054 0.000 1.082 83 A CA 0.411 52.427 52.037 -0.036 0.000 0.789 83 A CB -0.022 18.854 19.000 -0.207 0.000 1.025 83 A HN 1.197 nan 8.150 nan 0.000 0.490 84 T N -1.176 113.340 114.554 -0.064 0.000 2.929 84 T HA 0.601 4.951 4.350 -0.000 0.000 0.284 84 T C 0.149 174.808 174.700 -0.068 0.000 1.014 84 T CA -0.692 61.381 62.100 -0.045 0.000 1.051 84 T CB 0.868 69.720 68.868 -0.025 0.000 1.028 84 T HN 0.747 nan 8.240 nan 0.000 0.485 85 R N -0.355 120.119 120.500 -0.042 0.000 3.333 85 R HA -0.141 4.199 4.340 -0.000 0.000 0.256 85 R C -0.551 175.705 176.300 -0.072 0.000 1.010 85 R CA -0.148 55.930 56.100 -0.036 0.000 0.680 85 R CB -1.818 28.464 30.300 -0.030 0.000 1.102 85 R HN 0.594 nan 8.270 nan 0.000 0.440 86 L N 0.806 121.968 121.223 -0.103 0.000 2.416 86 L HA 0.098 4.438 4.340 -0.000 0.000 0.272 86 L C 0.412 177.230 176.870 -0.086 0.000 1.161 86 L CA 0.777 55.514 54.840 -0.173 0.000 0.845 86 L CB 1.251 43.149 42.059 -0.269 0.000 1.119 86 L HN 0.081 nan 8.230 nan 0.000 0.464 87 T N 6.189 120.700 114.554 -0.072 0.000 2.769 87 T HA 0.100 4.450 4.350 -0.000 0.000 0.293 87 T C -0.090 174.647 174.700 0.061 0.000 0.931 87 T CA 0.100 62.209 62.100 0.015 0.000 1.139 87 T CB -0.525 68.349 68.868 0.010 0.000 0.881 87 T HN 0.336 nan 8.240 nan 0.000 0.532 88 F N 7.437 127.389 119.950 0.003 0.000 2.529 88 F HA 0.249 4.776 4.527 -0.000 0.000 0.365 88 F C -1.401 174.421 175.800 0.036 0.000 1.102 88 F CA -1.749 56.299 58.000 0.080 0.000 1.271 88 F CB 0.632 39.728 39.000 0.160 0.000 1.120 88 F HN 0.384 nan 8.300 nan 0.000 0.579 89 P HA 0.246 nan 4.420 nan 0.000 0.286 89 P C -1.564 175.610 177.300 -0.210 0.000 1.293 89 P CA -0.502 62.415 63.100 -0.305 0.000 0.770 89 P CB 0.649 31.925 31.700 -0.706 0.000 1.206 90 A N -0.132 122.499 122.820 -0.316 0.000 2.304 90 A HA 0.535 4.855 4.320 -0.000 0.000 0.301 90 A C -0.526 176.865 177.584 -0.322 0.000 1.132 90 A CA -0.502 51.340 52.037 -0.324 0.000 0.819 90 A CB 0.301 18.995 19.000 -0.510 0.000 1.094 90 A HN 0.296 nan 8.150 nan 0.000 0.492 91 V N 2.303 122.209 119.914 -0.013 0.000 2.409 91 V HA 0.404 4.524 4.120 -0.000 0.000 0.290 91 V C -0.111 176.139 176.094 0.261 0.000 1.017 91 V CA -0.369 62.012 62.300 0.135 0.000 0.841 91 V CB 1.462 33.449 31.823 0.273 0.000 1.003 91 V HN 0.947 nan 8.190 nan 0.000 0.426 92 T N 6.255 120.977 114.554 0.281 0.000 2.829 92 T HA 0.779 5.129 4.350 -0.000 0.000 0.282 92 T C -0.629 174.208 174.700 0.229 0.000 0.990 92 T CA -0.204 62.055 62.100 0.265 0.000 1.028 92 T CB 1.037 70.050 68.868 0.243 0.000 0.951 92 T HN 0.602 nan 8.240 nan 0.000 0.460 93 F N 0.184 120.171 119.950 0.061 0.000 2.613 93 F HA 0.815 5.342 4.527 -0.000 0.000 0.310 93 F C -1.379 174.377 175.800 -0.073 0.000 1.085 93 F CA -1.291 56.679 58.000 -0.050 0.000 0.945 93 F CB 0.757 39.736 39.000 -0.035 0.000 1.298 93 F HN 0.514 nan 8.300 nan 0.000 0.455 94 c N 2.335 120.850 118.600 -0.142 0.000 2.712 94 c HA 0.510 5.080 4.570 -0.000 0.000 0.308 94 c C -0.497 173.484 174.090 -0.183 0.000 1.201 94 c CA -0.855 55.296 56.329 -0.296 0.000 1.554 94 c CB 1.629 43.875 42.510 -0.440 0.000 2.117 94 c HN 0.902 nan 8.230 nan 0.000 0.480 95 N N 0.959 119.562 118.700 -0.160 0.000 2.530 95 N HA 0.270 5.010 4.740 -0.000 0.000 0.277 95 N C 0.712 176.068 175.510 -0.257 0.000 1.168 95 N CA -0.194 52.753 53.050 -0.171 0.000 0.979 95 N CB 0.810 39.115 38.487 -0.303 0.000 1.141 95 N HN 0.688 nan 8.380 nan 0.000 0.459 96 L N 1.227 122.323 121.223 -0.213 0.000 2.275 96 L HA -0.020 4.320 4.340 -0.000 0.000 0.215 96 L C 1.199 177.944 176.870 -0.209 0.000 1.119 96 L CA 0.512 55.244 54.840 -0.181 0.000 0.790 96 L CB -0.365 41.668 42.059 -0.043 0.000 0.919 96 L HN 0.558 nan 8.230 nan 0.000 0.443 97 N N 0.808 119.239 118.700 -0.448 0.000 2.434 97 N HA 0.011 4.751 4.740 -0.000 0.000 0.272 97 N C 0.413 175.786 175.510 -0.229 0.000 1.040 97 N CA -0.054 52.657 53.050 -0.565 0.000 0.956 97 N CB 1.328 39.010 38.487 -1.341 0.000 1.108 97 N HN 0.201 nan 8.380 nan 0.000 0.481 98 E N 2.520 122.572 120.200 -0.247 0.000 2.170 98 E HA 0.019 4.369 4.350 -0.000 0.000 0.191 98 E C -0.458 175.677 176.600 -0.775 0.000 0.981 98 E CA 0.809 56.924 56.400 -0.475 0.000 0.830 98 E CB 0.285 29.612 29.700 -0.622 0.000 0.775 98 E HN 0.481 nan 8.360 nan 0.000 0.470 99 F N 0.432 120.322 119.950 -0.100 0.000 2.547 99 F HA 0.382 4.909 4.527 -0.000 0.000 0.316 99 F C 0.086 175.786 175.800 -0.167 0.000 1.121 99 F CA -1.079 56.791 58.000 -0.216 0.000 0.911 99 F CB 1.377 40.203 39.000 -0.290 0.000 1.179 99 F HN -0.403 nan 8.300 nan 0.000 0.443 100 R N 2.205 122.659 120.500 -0.077 0.000 2.401 100 R HA 0.122 4.462 4.340 -0.000 0.000 0.299 100 R C 0.985 177.351 176.300 0.110 0.000 1.064 100 R CA -0.247 55.811 56.100 -0.069 0.000 1.000 100 R CB 0.372 30.567 30.300 -0.174 0.000 0.973 100 R HN 0.770 nan 8.270 nan 0.000 0.438 101 F N 2.881 122.856 119.950 0.042 0.000 2.087 101 F HA -0.312 4.215 4.527 -0.000 0.000 0.299 101 F C 2.321 178.153 175.800 0.053 0.000 1.100 101 F CA 2.390 60.423 58.000 0.054 0.000 1.226 101 F CB -0.179 38.859 39.000 0.064 0.000 0.983 101 F HN 0.581 nan 8.300 nan 0.000 0.479 102 S N -0.212 115.550 115.700 0.104 0.000 2.500 102 S HA -0.107 4.363 4.470 -0.000 0.000 0.239 102 S C 1.763 176.338 174.600 -0.042 0.000 0.989 102 S CA 0.590 58.791 58.200 0.001 0.000 0.951 102 S CB -0.463 62.796 63.200 0.098 0.000 0.759 102 S HN 0.398 nan 8.310 nan 0.000 0.523 103 R N 0.777 121.267 120.500 -0.017 0.000 2.362 103 R HA 0.351 4.691 4.340 -0.000 0.000 0.227 103 R C -0.224 176.113 176.300 0.061 0.000 0.905 103 R CA -0.010 56.103 56.100 0.021 0.000 1.067 103 R CB -0.193 30.127 30.300 0.034 0.000 1.078 103 R HN 0.352 nan 8.270 nan 0.000 0.516 104 V N 2.995 122.907 119.914 -0.004 0.000 2.488 104 V HA 0.085 4.205 4.120 -0.000 0.000 0.277 104 V C 0.961 177.029 176.094 -0.042 0.000 1.046 104 V CA -0.122 62.202 62.300 0.040 0.000 0.986 104 V CB 1.087 32.879 31.823 -0.052 0.000 0.989 104 V HN 0.273 nan 8.190 nan 0.000 0.475 105 T N 1.508 116.064 114.554 0.004 0.000 2.936 105 T HA 0.349 4.699 4.350 -0.000 0.000 0.282 105 T C 1.033 175.715 174.700 -0.030 0.000 1.003 105 T CA -0.658 61.436 62.100 -0.011 0.000 1.005 105 T CB 1.535 70.425 68.868 0.038 0.000 1.097 105 T HN 0.566 nan 8.240 nan 0.000 0.532 106 K N 0.415 120.798 120.400 -0.028 0.000 2.063 106 K HA -0.229 4.091 4.320 -0.000 0.000 0.208 106 K C 2.044 178.630 176.600 -0.025 0.000 1.048 106 K CA 1.946 58.200 56.287 -0.055 0.000 0.928 106 K CB -0.363 32.050 32.500 -0.143 0.000 0.713 106 K HN 0.657 nan 8.250 nan 0.000 0.442 107 N N 0.783 119.518 118.700 0.059 0.000 2.244 107 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 107 N C 1.142 176.718 175.510 0.110 0.000 1.016 107 N CA 1.573 54.755 53.050 0.219 0.000 0.866 107 N CB 0.040 38.719 38.487 0.319 0.000 0.980 107 N HN 0.223 nan 8.380 nan 0.000 0.430 108 D N 0.025 120.384 120.400 -0.068 0.000 2.117 108 D HA -0.134 4.506 4.640 -0.000 0.000 0.198 108 D C 1.876 177.906 176.300 -0.449 0.000 0.982 108 D CA 0.553 54.301 54.000 -0.419 0.000 0.828 108 D CB -0.363 40.109 40.800 -0.547 0.000 0.967 108 D HN 0.235 nan 8.370 nan 0.000 0.464 109 L N 0.165 121.279 121.223 -0.182 0.000 2.046 109 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 109 L C 2.273 179.123 176.870 -0.034 0.000 1.077 109 L CA 1.440 56.238 54.840 -0.070 0.000 0.747 109 L CB -0.765 41.338 42.059 0.073 0.000 0.896 109 L HN 0.021 nan 8.230 nan 0.000 0.432 110 Y N -0.614 119.572 120.300 -0.190 0.000 2.145 110 Y HA -0.301 4.249 4.550 -0.000 0.000 0.286 110 Y C 2.490 178.158 175.900 -0.387 0.000 1.145 110 Y CA 2.324 60.141 58.100 -0.471 0.000 1.148 110 Y CB -0.187 37.820 38.460 -0.756 0.000 0.981 110 Y HN 0.412 nan 8.280 nan 0.000 0.507 111 H N -1.447 117.401 119.070 -0.368 0.000 2.415 111 H HA 0.234 4.790 4.556 -0.000 0.000 0.297 111 H C 1.911 176.852 175.328 -0.645 0.000 1.048 111 H CA 1.185 56.883 56.048 -0.583 0.000 1.365 111 H CB -0.078 29.015 29.762 -1.115 0.000 1.421 111 H HN 0.345 nan 8.280 nan 0.000 0.533 112 A N 0.159 122.611 122.820 -0.612 0.000 2.343 112 A HA 0.282 4.602 4.320 -0.000 0.000 0.223 112 A C 2.410 179.828 177.584 -0.278 0.000 1.214 112 A CA 0.571 52.338 52.037 -0.450 0.000 0.900 112 A CB -0.517 18.148 19.000 -0.558 0.000 0.942 112 A HN 0.424 nan 8.150 nan 0.000 0.507 113 G N 0.670 109.325 108.800 -0.242 0.000 2.529 113 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.219 113 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.219 113 G C 1.392 176.229 174.900 -0.106 0.000 1.177 113 G CA 1.384 46.407 45.100 -0.128 0.000 0.773 113 G HN 0.649 nan 8.290 nan 0.000 0.573 114 E N -0.290 119.809 120.200 -0.168 0.000 2.110 114 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 114 E C 2.403 178.957 176.600 -0.077 0.000 0.988 114 E CA 0.885 57.201 56.400 -0.140 0.000 0.804 114 E CB -0.240 29.317 29.700 -0.237 0.000 0.745 114 E HN 0.321 nan 8.360 nan 0.000 0.458 115 L N 0.648 121.821 121.223 -0.084 0.000 2.083 115 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 115 L C 1.863 178.735 176.870 0.004 0.000 1.083 115 L CA 1.556 56.381 54.840 -0.026 0.000 0.752 115 L CB -0.111 41.926 42.059 -0.036 0.000 0.899 115 L HN 0.231 nan 8.230 nan 0.000 0.433 116 L N -0.475 120.737 121.223 -0.019 0.000 2.591 116 L HA 0.251 4.591 4.340 -0.000 0.000 0.228 116 L C 1.504 178.384 176.870 0.017 0.000 1.133 116 L CA 0.422 55.269 54.840 0.012 0.000 0.880 116 L CB -0.568 41.481 42.059 -0.016 0.000 1.033 116 L HN 0.376 nan 8.230 nan 0.000 0.450 117 A N -0.203 122.635 122.820 0.030 0.000 2.899 117 A HA -0.228 4.092 4.320 -0.000 0.000 0.257 117 A C 1.301 178.982 177.584 0.161 0.000 1.335 117 A CA 1.088 53.178 52.037 0.087 0.000 0.924 117 A CB -2.048 17.019 19.000 0.112 0.000 1.105 117 A HN 0.419 nan 8.150 nan 0.000 0.765 118 L N -1.677 119.603 121.223 0.095 0.000 2.375 118 L HA 0.276 4.616 4.340 -0.000 0.000 0.215 118 L C 0.841 177.894 176.870 0.304 0.000 1.108 118 L CA 0.774 55.716 54.840 0.170 0.000 0.830 118 L CB -0.031 42.017 42.059 -0.018 0.000 0.959 118 L HN 0.530 nan 8.230 nan 0.000 0.457 119 L N -0.749 120.562 121.223 0.146 0.000 2.371 119 L HA 0.333 4.673 4.340 -0.000 0.000 0.262 119 L C -0.377 176.502 176.870 0.015 0.000 1.006 119 L CA -0.724 54.174 54.840 0.096 0.000 0.818 119 L CB 2.031 44.117 42.059 0.045 0.000 1.354 119 L HN 0.130 nan 8.230 nan 0.000 0.415 120 N N -0.294 118.402 118.700 -0.006 0.000 2.405 120 N HA 0.069 4.809 4.740 -0.000 0.000 0.269 120 N C 0.090 175.510 175.510 -0.151 0.000 1.249 120 N CA -0.664 52.358 53.050 -0.046 0.000 0.974 120 N CB 0.587 39.062 38.487 -0.020 0.000 1.204 120 N HN 0.794 nan 8.380 nan 0.000 0.565 121 N N -0.905 117.707 118.700 -0.147 0.000 2.626 121 N HA -0.084 4.656 4.740 -0.000 0.000 0.193 121 N C 0.398 175.758 175.510 -0.250 0.000 1.213 121 N CA 0.036 52.950 53.050 -0.228 0.000 0.914 121 N CB -0.018 38.386 38.487 -0.139 0.000 0.994 121 N HN 0.430 nan 8.380 nan 0.000 0.447 122 R N -0.670 119.729 120.500 -0.168 0.000 2.543 122 R HA 0.072 4.412 4.340 -0.000 0.000 0.323 122 R C -0.682 175.675 176.300 0.095 0.000 1.002 122 R CA -0.421 55.660 56.100 -0.031 0.000 1.106 122 R CB 0.035 30.352 30.300 0.027 0.000 1.280 122 R HN 0.186 nan 8.270 nan 0.000 0.549 123 Y N 0.298 120.572 120.300 -0.042 0.000 3.929 123 Y HA -0.304 4.246 4.550 -0.000 0.000 0.225 123 Y C -0.379 175.614 175.900 0.156 0.000 1.200 123 Y CA 0.579 58.677 58.100 -0.003 0.000 1.791 123 Y CB -2.064 36.343 38.460 -0.090 0.000 1.561 123 Y HN 0.249 nan 8.280 nan 0.000 0.657 124 E N -0.279 120.022 120.200 0.168 0.000 2.336 124 E HA 0.680 5.030 4.350 -0.000 0.000 0.267 124 E C -0.408 176.248 176.600 0.093 0.000 0.906 124 E CA -1.265 55.213 56.400 0.130 0.000 0.781 124 E CB 2.063 31.814 29.700 0.084 0.000 1.261 124 E HN 0.117 nan 8.360 nan 0.000 0.436 125 I N 3.024 123.635 120.570 0.069 0.000 2.312 125 I HA 0.219 4.389 4.170 -0.000 0.000 0.291 125 I C -1.974 174.119 176.117 -0.041 0.000 1.031 125 I CA -1.843 59.493 61.300 0.059 0.000 1.293 125 I CB 0.468 38.508 38.000 0.067 0.000 1.403 125 I HN 0.235 nan 8.210 nan 0.000 0.484 126 P HA -0.101 nan 4.420 nan 0.000 0.273 126 P C -0.444 176.744 177.300 -0.185 0.000 1.252 126 P CA -0.290 62.740 63.100 -0.117 0.000 0.809 126 P CB 0.280 31.912 31.700 -0.114 0.000 1.017 127 D N -0.147 120.162 120.400 -0.152 0.000 2.982 127 D HA -0.115 4.525 4.640 -0.000 0.000 0.222 127 D C 1.183 177.352 176.300 -0.218 0.000 1.124 127 D CA 1.038 54.949 54.000 -0.148 0.000 0.810 127 D CB 0.194 40.922 40.800 -0.120 0.000 1.152 127 D HN 0.441 nan 8.370 nan 0.000 0.538 128 T N 1.396 115.847 114.554 -0.172 0.000 2.684 128 T HA -0.307 4.043 4.350 -0.000 0.000 0.267 128 T C 0.965 175.545 174.700 -0.201 0.000 1.032 128 T CA 1.034 63.027 62.100 -0.178 0.000 1.155 128 T CB -0.255 68.555 68.868 -0.097 0.000 0.857 128 T HN 0.456 nan 8.240 nan 0.000 0.457 129 Q N 2.954 122.662 119.800 -0.153 0.000 2.546 129 Q HA 0.180 4.520 4.340 -0.000 0.000 0.237 129 Q C 1.167 177.056 176.000 -0.186 0.000 1.333 129 Q CA 0.995 56.721 55.803 -0.128 0.000 0.877 129 Q CB -0.454 28.232 28.738 -0.087 0.000 1.629 129 Q HN 0.942 nan 8.270 nan 0.000 0.549 130 T N -3.214 111.194 114.554 -0.243 0.000 3.507 130 T HA 0.463 4.813 4.350 -0.000 0.000 0.280 130 T C 0.594 175.249 174.700 -0.075 0.000 0.976 130 T CA 0.415 62.314 62.100 -0.336 0.000 1.096 130 T CB 0.202 68.489 68.868 -0.968 0.000 1.168 130 T HN 0.357 nan 8.240 nan 0.000 0.463 131 A N 1.199 124.049 122.820 0.049 0.000 2.548 131 A HA 0.721 5.041 4.320 -0.000 0.000 0.262 131 A C -1.276 176.398 177.584 0.150 0.000 1.271 131 A CA -0.348 51.865 52.037 0.293 0.000 0.839 131 A CB 0.459 19.889 19.000 0.716 0.000 1.381 131 A HN 0.275 nan 8.150 nan 0.000 0.468 132 D N 0.188 120.669 120.400 0.135 0.000 2.458 132 D HA 0.058 4.698 4.640 -0.000 0.000 0.243 132 D C 1.310 177.655 176.300 0.075 0.000 1.146 132 D CA 0.584 54.625 54.000 0.068 0.000 0.877 132 D CB 0.784 41.599 40.800 0.024 0.000 1.176 132 D HN 0.573 nan 8.370 nan 0.000 0.461 133 E N 2.990 123.220 120.200 0.051 0.000 2.204 133 E HA -0.290 4.060 4.350 -0.000 0.000 0.195 133 E C 1.387 178.024 176.600 0.061 0.000 0.990 133 E CA 0.810 57.240 56.400 0.050 0.000 0.821 133 E CB -0.005 29.713 29.700 0.030 0.000 0.750 133 E HN 0.245 nan 8.360 nan 0.000 0.477 134 K N 1.260 121.690 120.400 0.050 0.000 2.057 134 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 134 K C 2.108 178.758 176.600 0.084 0.000 1.049 134 K CA 1.938 58.258 56.287 0.054 0.000 0.931 134 K CB -0.010 32.510 32.500 0.033 0.000 0.714 134 K HN 0.281 nan 8.250 nan 0.000 0.440 135 Q N -0.568 119.265 119.800 0.056 0.000 2.212 135 Q HA -0.017 4.323 4.340 -0.000 0.000 0.199 135 Q C 1.919 178.066 176.000 0.245 0.000 0.950 135 Q CA 0.743 56.592 55.803 0.076 0.000 0.863 135 Q CB -0.061 28.537 28.738 -0.232 0.000 0.944 135 Q HN 0.203 nan 8.270 nan 0.000 0.465 136 L N 1.591 122.937 121.223 0.205 0.000 2.017 136 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 136 L C 1.837 178.807 176.870 0.166 0.000 1.073 136 L CA 1.878 56.853 54.840 0.225 0.000 0.745 136 L CB -0.290 41.847 42.059 0.130 0.000 0.894 136 L HN 0.125 nan 8.230 nan 0.000 0.432 137 E N -0.581 119.692 120.200 0.121 0.000 2.023 137 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 137 E C 2.151 178.809 176.600 0.098 0.000 1.003 137 E CA 1.644 58.096 56.400 0.086 0.000 0.809 137 E CB -0.453 29.288 29.700 0.068 0.000 0.755 137 E HN 0.527 nan 8.360 nan 0.000 0.449 138 I N 0.857 121.513 120.570 0.144 0.000 2.335 138 I HA -0.230 3.940 4.170 -0.000 0.000 0.251 138 I C 1.931 178.114 176.117 0.111 0.000 1.129 138 I CA 1.183 62.564 61.300 0.135 0.000 1.402 138 I CB -0.071 38.062 38.000 0.222 0.000 1.069 138 I HN 0.049 nan 8.210 nan 0.000 0.424 139 L N 0.026 121.370 121.223 0.202 0.000 2.179 139 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 139 L C 2.465 179.378 176.870 0.071 0.000 1.096 139 L CA 1.619 56.562 54.840 0.171 0.000 0.779 139 L CB -0.802 41.466 42.059 0.349 0.000 0.922 139 L HN 0.361 nan 8.230 nan 0.000 0.443 140 Q N -1.184 118.654 119.800 0.064 0.000 2.123 140 Q HA -0.221 4.119 4.340 -0.000 0.000 0.199 140 Q C 1.708 177.659 176.000 -0.081 0.000 0.966 140 Q CA 1.603 57.400 55.803 -0.010 0.000 0.845 140 Q CB -0.066 28.674 28.738 0.005 0.000 0.907 140 Q HN 0.511 nan 8.270 nan 0.000 0.439 141 D N 0.887 121.255 120.400 -0.053 0.000 2.117 141 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 141 D C 1.737 177.952 176.300 -0.142 0.000 0.982 141 D CA 1.120 55.072 54.000 -0.080 0.000 0.828 141 D CB 0.079 40.857 40.800 -0.036 0.000 0.967 141 D HN -0.014 nan 8.370 nan 0.000 0.464 142 K N -0.739 119.581 120.400 -0.132 0.000 2.283 142 K HA 0.044 4.364 4.320 -0.000 0.000 0.202 142 K C 1.576 177.977 176.600 -0.332 0.000 1.048 142 K CA 0.936 57.118 56.287 -0.175 0.000 0.948 142 K CB -0.022 32.399 32.500 -0.131 0.000 0.742 142 K HN 0.178 nan 8.250 nan 0.000 0.458 143 A N 0.680 123.252 122.820 -0.413 0.000 2.238 143 A HA 0.017 4.337 4.320 -0.000 0.000 0.210 143 A C 0.552 177.356 177.584 -1.301 0.000 1.179 143 A CA -0.213 51.329 52.037 -0.825 0.000 0.827 143 A CB -0.152 18.633 19.000 -0.358 0.000 0.856 143 A HN 0.230 nan 8.150 nan 0.000 0.488 144 N N 0.729 119.010 118.700 -0.698 0.000 2.406 144 N HA 0.056 4.796 4.740 -0.000 0.000 0.274 144 N C -0.960 174.270 175.510 -0.466 0.000 1.249 144 N CA 0.125 52.897 53.050 -0.463 0.000 0.951 144 N CB -0.147 38.211 38.487 -0.215 0.000 1.241 144 N HN 0.190 nan 8.380 nan 0.000 0.485 145 F N 2.055 121.981 119.950 -0.040 0.000 2.730 145 F HA 0.307 4.834 4.527 -0.000 0.000 0.295 145 F C 1.065 176.912 175.800 0.078 0.000 1.143 145 F CA -0.558 57.431 58.000 -0.018 0.000 1.367 145 F CB -0.176 38.834 39.000 0.018 0.000 0.970 145 F HN 0.139 nan 8.300 nan 0.000 0.514 146 R N 2.118 122.714 120.500 0.160 0.000 2.513 146 R HA -0.121 4.219 4.340 -0.000 0.000 0.333 146 R C 0.880 177.261 176.300 0.136 0.000 0.925 146 R CA 0.208 56.381 56.100 0.121 0.000 1.072 146 R CB -0.360 29.978 30.300 0.063 0.000 0.914 146 R HN 0.247 nan 8.270 nan 0.000 0.408 147 N N 2.323 121.089 118.700 0.110 0.000 2.708 147 N HA -0.262 4.478 4.740 -0.000 0.000 0.249 147 N C -0.774 174.777 175.510 0.068 0.000 1.097 147 N CA 0.684 53.770 53.050 0.060 0.000 0.710 147 N CB -0.654 37.852 38.487 0.031 0.000 1.032 147 N HN 0.429 nan 8.380 nan 0.000 0.551 148 F N 1.563 121.497 119.950 -0.028 0.000 2.429 148 F HA 0.343 4.870 4.527 -0.000 0.000 0.348 148 F C 0.646 176.332 175.800 -0.190 0.000 1.109 148 F CA -0.235 57.724 58.000 -0.068 0.000 1.232 148 F CB 0.681 39.691 39.000 0.017 0.000 1.157 148 F HN 0.004 nan 8.300 nan 0.000 0.564 149 K N 8.014 127.741 120.400 -1.121 0.000 2.316 149 K HA 0.429 4.749 4.320 -0.000 0.000 0.267 149 K C -2.690 173.096 176.600 -1.356 0.000 1.025 149 K CA -2.111 53.615 56.287 -0.936 0.000 0.896 149 K CB 1.023 33.219 32.500 -0.506 0.000 1.124 149 K HN 0.358 nan 8.250 nan 0.000 0.451 150 P HA -0.031 nan 4.420 nan 0.000 0.265 150 P C -1.103 176.034 177.300 -0.272 0.000 1.193 150 P CA 0.225 62.943 63.100 -0.637 0.000 0.765 150 P CB 0.557 31.921 31.700 -0.560 0.000 0.823 151 K N 4.225 124.601 120.400 -0.040 0.000 2.166 151 K HA 0.453 4.773 4.320 -0.000 0.000 0.245 151 K C -2.236 174.381 176.600 0.029 0.000 0.967 151 K CA -2.189 54.085 56.287 -0.021 0.000 0.863 151 K CB 0.460 32.955 32.500 -0.008 0.000 1.107 151 K HN 0.349 nan 8.250 nan 0.000 0.436 152 P HA -0.078 nan 4.420 nan 0.000 0.266 152 P C -1.064 176.192 177.300 -0.073 0.000 1.193 152 P CA 0.359 63.448 63.100 -0.018 0.000 0.770 152 P CB 0.317 32.009 31.700 -0.014 0.000 0.836 153 F N 2.268 122.016 119.950 -0.337 0.000 2.565 153 F HA 0.518 5.045 4.527 -0.000 0.000 0.313 153 F C -0.846 174.836 175.800 -0.196 0.000 1.091 153 F CA -0.762 56.990 58.000 -0.413 0.000 0.915 153 F CB 2.069 40.520 39.000 -0.915 0.000 1.208 153 F HN 0.208 nan 8.300 nan 0.000 0.453 154 N N 6.526 124.668 118.700 -0.931 0.000 2.371 154 N HA 0.190 4.930 4.740 -0.000 0.000 0.291 154 N C 0.251 175.275 175.510 -0.809 0.000 1.053 154 N CA -0.426 52.285 53.050 -0.564 0.000 0.870 154 N CB 1.745 40.066 38.487 -0.277 0.000 1.503 154 N HN 0.696 nan 8.380 nan 0.000 0.485 155 M N 2.453 121.803 119.600 -0.415 0.000 2.159 155 M HA -0.117 4.363 4.480 -0.000 0.000 0.263 155 M C 1.781 177.991 176.300 -0.151 0.000 1.063 155 M CA 1.036 56.208 55.300 -0.213 0.000 1.110 155 M CB -0.794 31.814 32.600 0.014 0.000 1.374 155 M HN 0.614 nan 8.290 nan 0.000 0.411 156 L N 0.790 121.824 121.223 -0.316 0.000 2.017 156 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 156 L C 2.420 179.130 176.870 -0.266 0.000 1.073 156 L CA 1.955 56.526 54.840 -0.448 0.000 0.745 156 L CB -0.850 40.748 42.059 -0.767 0.000 0.894 156 L HN 0.272 nan 8.230 nan 0.000 0.432 157 E N -0.791 119.275 120.200 -0.225 0.000 2.077 157 E HA -0.275 4.075 4.350 -0.000 0.000 0.193 157 E C 2.181 178.769 176.600 -0.020 0.000 0.989 157 E CA 1.345 57.670 56.400 -0.125 0.000 0.800 157 E CB -0.412 29.194 29.700 -0.158 0.000 0.746 157 E HN 0.519 nan 8.360 nan 0.000 0.452 158 F N 0.665 120.442 119.950 -0.287 0.000 2.102 158 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 158 F C 2.047 177.893 175.800 0.077 0.000 1.105 158 F CA 1.355 59.246 58.000 -0.182 0.000 1.239 158 F CB -0.998 37.802 39.000 -0.334 0.000 0.991 158 F HN 0.053 nan 8.300 nan 0.000 0.474 159 Y N 0.018 120.336 120.300 0.031 0.000 2.181 159 Y HA -0.254 4.296 4.550 -0.000 0.000 0.288 159 Y C 2.504 178.453 175.900 0.080 0.000 1.146 159 Y CA 1.480 59.592 58.100 0.019 0.000 1.164 159 Y CB -0.490 38.002 38.460 0.054 0.000 0.982 159 Y HN 0.109 nan 8.280 nan 0.000 0.515 160 D N -0.027 120.550 120.400 0.296 0.000 2.117 160 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 160 D C 2.209 178.602 176.300 0.154 0.000 0.987 160 D CA 1.333 55.510 54.000 0.295 0.000 0.829 160 D CB -0.077 40.861 40.800 0.231 0.000 0.961 160 D HN 0.168 nan 8.370 nan 0.000 0.460 161 R N -0.556 120.008 120.500 0.106 0.000 2.080 161 R HA 0.145 4.485 4.340 -0.000 0.000 0.222 161 R C 1.871 178.202 176.300 0.052 0.000 1.107 161 R CA 1.172 57.322 56.100 0.083 0.000 0.980 161 R CB -0.118 30.240 30.300 0.097 0.000 0.879 161 R HN 0.144 nan 8.270 nan 0.000 0.439 162 A N 0.570 123.391 122.820 0.001 0.000 2.095 162 A HA 0.267 4.587 4.320 -0.000 0.000 0.212 162 A C 1.088 178.627 177.584 -0.074 0.000 1.162 162 A CA 0.374 52.381 52.037 -0.051 0.000 0.753 162 A CB -0.262 18.609 19.000 -0.215 0.000 0.840 162 A HN 0.442 nan 8.150 nan 0.000 0.468 163 G N -0.392 108.382 108.800 -0.044 0.000 2.630 163 G HA2 0.294 4.254 3.960 -0.000 0.000 0.236 163 G HA3 0.294 4.254 3.960 -0.000 0.000 0.236 163 G C -0.183 174.684 174.900 -0.056 0.000 1.248 163 G CA -0.293 44.765 45.100 -0.070 0.000 0.844 163 G HN 0.488 nan 8.290 nan 0.000 0.588 164 H N 0.161 119.234 119.070 0.005 0.000 2.972 164 H HA 0.012 4.568 4.556 -0.000 0.000 0.343 164 H C -0.306 175.094 175.328 0.120 0.000 1.054 164 H CA 0.504 56.588 56.048 0.060 0.000 1.412 164 H CB 1.225 31.022 29.762 0.059 0.000 1.385 164 H HN 0.402 nan 8.280 nan 0.000 0.600 165 D N 2.391 122.888 120.400 0.162 0.000 2.274 165 D HA -0.009 4.631 4.640 -0.000 0.000 0.239 165 D C 1.078 177.322 176.300 -0.094 0.000 1.104 165 D CA -0.567 53.483 54.000 0.083 0.000 0.840 165 D CB 0.957 41.784 40.800 0.045 0.000 1.100 165 D HN 0.392 nan 8.370 nan 0.000 0.477 166 I N 4.807 125.110 120.570 -0.445 0.000 2.335 166 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 166 I C 1.995 177.898 176.117 -0.357 0.000 1.129 166 I CA 1.429 62.296 61.300 -0.722 0.000 1.402 166 I CB 0.067 37.281 38.000 -1.309 0.000 1.069 166 I HN 0.397 nan 8.210 nan 0.000 0.424 167 R N 0.213 120.589 120.500 -0.208 0.000 2.152 167 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 167 R C 1.881 178.134 176.300 -0.078 0.000 1.117 167 R CA 1.604 57.636 56.100 -0.114 0.000 0.981 167 R CB -0.389 29.880 30.300 -0.052 0.000 0.870 167 R HN 0.563 nan 8.270 nan 0.000 0.451 168 E N 0.158 120.322 120.200 -0.059 0.000 2.166 168 E HA 0.036 4.386 4.350 -0.000 0.000 0.192 168 E C 2.014 178.595 176.600 -0.032 0.000 0.967 168 E CA 0.451 56.841 56.400 -0.017 0.000 0.840 168 E CB 0.102 29.823 29.700 0.035 0.000 0.795 168 E HN 0.241 nan 8.360 nan 0.000 0.470 169 M N 0.703 120.272 119.600 -0.051 0.000 2.175 169 M HA -0.045 4.435 4.480 -0.000 0.000 0.264 169 M C 0.765 176.976 176.300 -0.149 0.000 1.063 169 M CA 0.533 55.794 55.300 -0.066 0.000 1.119 169 M CB 0.022 32.607 32.600 -0.024 0.000 1.377 169 M HN 0.047 nan 8.290 nan 0.000 0.415 170 L N 1.613 122.718 121.223 -0.198 0.000 2.407 170 L HA 0.069 4.409 4.340 -0.000 0.000 0.282 170 L C 0.666 177.442 176.870 -0.156 0.000 1.110 170 L CA 0.367 55.072 54.840 -0.225 0.000 0.863 170 L CB 0.222 42.100 42.059 -0.301 0.000 1.207 170 L HN 0.207 nan 8.230 nan 0.000 0.454 171 L N 2.599 123.713 121.223 -0.182 0.000 2.202 171 L HA 0.174 4.514 4.340 -0.000 0.000 0.205 171 L C 0.660 177.525 176.870 -0.008 0.000 1.083 171 L CA 0.624 55.356 54.840 -0.180 0.000 0.790 171 L CB -0.307 41.428 42.059 -0.540 0.000 0.942 171 L HN 0.795 nan 8.230 nan 0.000 0.452 172 S N -1.989 113.698 115.700 -0.022 0.000 2.547 172 S HA 0.469 4.939 4.470 -0.000 0.000 0.270 172 S C -1.246 173.360 174.600 0.010 0.000 1.150 172 S CA -1.063 57.167 58.200 0.050 0.000 0.850 172 S CB 2.099 65.422 63.200 0.205 0.000 1.118 172 S HN 0.080 nan 8.310 nan 0.000 0.461 173 c N 2.757 121.315 118.600 -0.069 0.000 2.752 173 c HA 0.827 5.397 4.570 -0.000 0.000 0.360 173 c C -2.139 171.799 174.090 -0.254 0.000 1.081 173 c CA -0.429 55.866 56.329 -0.057 0.000 1.272 173 c CB -0.339 42.192 42.510 0.036 0.000 1.754 173 c HN 0.825 nan 8.230 nan 0.000 0.483 174 F N 4.958 124.916 119.950 0.012 0.000 2.561 174 F HA 0.629 5.156 4.527 -0.000 0.000 0.313 174 F C -0.614 175.200 175.800 0.023 0.000 1.126 174 F CA -0.565 57.450 58.000 0.026 0.000 0.918 174 F CB 1.829 40.828 39.000 -0.002 0.000 1.199 174 F HN 0.590 nan 8.300 nan 0.000 0.444 175 F N 4.293 124.295 119.950 0.086 0.000 2.460 175 F HA 0.538 5.065 4.527 -0.000 0.000 0.341 175 F C 0.454 176.276 175.800 0.036 0.000 1.130 175 F CA -0.945 57.050 58.000 -0.009 0.000 0.962 175 F CB 0.895 39.898 39.000 0.005 0.000 1.171 175 F HN 0.555 nan 8.300 nan 0.000 0.436 176 R N 4.485 124.556 120.500 -0.716 0.000 3.251 176 R HA -0.216 4.124 4.340 -0.000 0.000 0.249 176 R C 1.038 177.258 176.300 -0.132 0.000 0.949 176 R CA 0.856 56.674 56.100 -0.471 0.000 0.645 176 R CB -1.897 28.050 30.300 -0.587 0.000 1.065 176 R HN 1.410 nan 8.270 nan 0.000 0.452 177 G N -0.599 108.179 108.800 -0.036 0.000 2.184 177 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.264 177 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.264 177 G C -0.025 175.009 174.900 0.223 0.000 0.975 177 G CA 0.823 45.950 45.100 0.044 0.000 0.642 177 G HN 0.538 nan 8.290 nan 0.000 0.536 178 E N 0.195 120.555 120.200 0.267 0.000 2.171 178 E HA 0.430 4.780 4.350 -0.000 0.000 0.271 178 E C 0.157 176.877 176.600 0.199 0.000 0.916 178 E CA -0.617 55.936 56.400 0.255 0.000 0.774 178 E CB 1.232 31.034 29.700 0.170 0.000 1.128 178 E HN 0.367 nan 8.360 nan 0.000 0.403 179 Q N 2.614 122.405 119.800 -0.014 0.000 2.311 179 Q HA 0.114 4.454 4.340 -0.000 0.000 0.272 179 Q C -0.767 175.106 176.000 -0.213 0.000 1.012 179 Q CA -0.294 55.190 55.803 -0.532 0.000 0.891 179 Q CB 0.304 28.744 28.738 -0.497 0.000 1.201 179 Q HN 0.646 nan 8.270 nan 0.000 0.391 180 c N 2.079 120.559 118.600 -0.201 0.000 2.423 180 c HA 0.959 5.529 4.570 -0.000 0.000 0.378 180 c C 0.094 174.196 174.090 0.021 0.000 1.244 180 c CA -0.644 55.698 56.329 0.021 0.000 1.978 180 c CB 0.937 43.557 42.510 0.183 0.000 2.252 180 c HN 0.950 nan 8.230 nan 0.000 0.526 181 S N -1.161 114.620 115.700 0.134 0.000 2.794 181 S HA 0.628 5.098 4.470 -0.000 0.000 0.299 181 S C -2.703 172.037 174.600 0.233 0.000 1.179 181 S CA -0.892 57.377 58.200 0.114 0.000 0.838 181 S CB 0.907 64.138 63.200 0.051 0.000 1.206 181 S HN 0.375 nan 8.310 nan 0.000 0.523 182 P HA -0.048 nan 4.420 nan 0.000 0.216 182 P C 0.716 178.145 177.300 0.216 0.000 1.150 182 P CA 1.370 64.522 63.100 0.086 0.000 0.843 182 P CB -0.095 31.583 31.700 -0.037 0.000 0.787 183 E N -0.803 119.487 120.200 0.149 0.000 2.401 183 E HA -0.147 4.203 4.350 -0.000 0.000 0.199 183 E C 1.278 177.959 176.600 0.134 0.000 1.023 183 E CA 0.824 57.298 56.400 0.123 0.000 0.859 183 E CB -0.813 28.929 29.700 0.071 0.000 0.780 183 E HN 0.352 nan 8.360 nan 0.000 0.523 184 D N -0.817 119.707 120.400 0.206 0.000 2.349 184 D HA 0.002 4.642 4.640 -0.000 0.000 0.215 184 D C -0.401 175.867 176.300 -0.054 0.000 1.016 184 D CA 0.346 54.377 54.000 0.053 0.000 0.870 184 D CB 0.228 41.076 40.800 0.079 0.000 0.917 184 D HN 0.152 nan 8.370 nan 0.000 0.524 185 F N 1.082 121.092 119.950 0.100 0.000 2.436 185 F HA 0.275 4.802 4.527 -0.000 0.000 0.340 185 F C 0.727 176.600 175.800 0.123 0.000 1.113 185 F CA -1.009 57.079 58.000 0.147 0.000 1.022 185 F CB 1.803 40.912 39.000 0.182 0.000 1.128 185 F HN -0.481 nan 8.300 nan 0.000 0.466 186 K N 2.938 123.471 120.400 0.223 0.000 2.156 186 K HA 0.522 4.842 4.320 -0.000 0.000 0.271 186 K C -0.919 175.734 176.600 0.089 0.000 0.995 186 K CA -0.549 55.813 56.287 0.125 0.000 0.890 186 K CB 1.272 33.797 32.500 0.041 0.000 1.073 186 K HN 0.482 nan 8.250 nan 0.000 0.454 187 V N 4.446 124.358 119.914 -0.003 0.000 2.572 187 V HA 0.141 4.261 4.120 -0.000 0.000 0.291 187 V C -0.266 175.626 176.094 -0.337 0.000 1.039 187 V CA -0.248 61.875 62.300 -0.294 0.000 1.055 187 V CB 1.168 32.813 31.823 -0.297 0.000 0.969 187 V HN 0.556 nan 8.190 nan 0.000 0.482 188 V N 6.778 126.375 119.914 -0.528 0.000 2.612 188 V HA 0.529 4.649 4.120 -0.000 0.000 0.301 188 V C -1.032 174.756 176.094 -0.510 0.000 1.059 188 V CA -0.549 61.542 62.300 -0.348 0.000 0.886 188 V CB 1.684 33.416 31.823 -0.152 0.000 1.007 188 V HN 0.641 nan 8.190 nan 0.000 0.426 189 F N 5.281 125.136 119.950 -0.158 0.000 2.410 189 F HA 0.692 5.219 4.527 -0.000 0.000 0.348 189 F C 1.076 176.797 175.800 -0.130 0.000 1.106 189 F CA 0.472 58.355 58.000 -0.196 0.000 1.163 189 F CB 1.820 40.717 39.000 -0.171 0.000 1.129 189 F HN 0.705 nan 8.300 nan 0.000 0.516 190 T N -0.497 114.009 114.554 -0.080 0.000 2.693 190 T HA 0.367 4.717 4.350 -0.000 0.000 0.278 190 T C 0.967 175.401 174.700 -0.444 0.000 0.994 190 T CA -0.934 61.065 62.100 -0.169 0.000 1.033 190 T CB 1.432 70.216 68.868 -0.140 0.000 1.342 190 T HN 0.559 nan 8.240 nan 0.000 0.538 191 R N -1.122 118.939 120.500 -0.731 0.000 2.189 191 R HA 0.026 4.366 4.340 -0.000 0.000 0.223 191 R C 1.181 177.185 176.300 -0.495 0.000 1.092 191 R CA 1.016 56.666 56.100 -0.750 0.000 0.989 191 R CB -0.401 29.465 30.300 -0.723 0.000 0.876 191 R HN 0.680 nan 8.270 nan 0.000 0.457 192 Y N -0.652 119.449 120.300 -0.331 0.000 2.546 192 Y HA 0.151 4.701 4.550 -0.000 0.000 0.287 192 Y C 1.547 177.208 175.900 -0.397 0.000 1.158 192 Y CA 0.758 58.687 58.100 -0.284 0.000 1.307 192 Y CB 0.416 38.730 38.460 -0.243 0.000 1.036 192 Y HN 0.327 nan 8.280 nan 0.000 0.532 193 G N 0.063 108.582 108.800 -0.468 0.000 2.601 193 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.224 193 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.224 193 G C -0.449 174.188 174.900 -0.437 0.000 1.171 193 G CA -0.493 44.100 45.100 -0.844 0.000 1.009 193 G HN 0.095 nan 8.290 nan 0.000 0.589 194 K N 0.945 121.130 120.400 -0.360 0.000 2.315 194 K HA 0.516 4.836 4.320 -0.000 0.000 0.291 194 K C -0.066 176.100 176.600 -0.724 0.000 1.074 194 K CA -0.150 55.769 56.287 -0.613 0.000 0.936 194 K CB -0.584 31.686 32.500 -0.382 0.000 1.049 194 K HN 0.637 nan 8.250 nan 0.000 0.471 195 c N 3.243 121.321 118.600 -0.870 0.000 2.710 195 c HA 0.590 5.160 4.570 -0.000 0.000 0.367 195 c C -1.012 172.396 174.090 -1.137 0.000 1.315 195 c CA -0.978 54.847 56.329 -0.841 0.000 1.764 195 c CB 0.520 42.740 42.510 -0.482 0.000 2.182 195 c HN 0.707 nan 8.230 nan 0.000 0.491 196 Y N -0.735 119.240 120.300 -0.541 0.000 2.477 196 Y HA 0.529 5.079 4.550 -0.000 0.000 0.347 196 Y C 0.202 176.093 175.900 -0.016 0.000 0.981 196 Y CA -0.459 57.474 58.100 -0.278 0.000 1.033 196 Y CB 1.778 40.054 38.460 -0.306 0.000 1.245 196 Y HN 0.496 nan 8.280 nan 0.000 0.455 197 T N 3.928 118.643 114.554 0.268 0.000 2.786 197 T HA 0.327 4.677 4.350 -0.000 0.000 0.283 197 T C -1.220 173.569 174.700 0.148 0.000 0.992 197 T CA -0.536 61.701 62.100 0.228 0.000 0.954 197 T CB 0.302 69.244 68.868 0.123 0.000 0.934 197 T HN 0.404 nan 8.240 nan 0.000 0.440 198 F N 4.138 124.045 119.950 -0.071 0.000 2.396 198 F HA 0.444 4.971 4.527 -0.000 0.000 0.343 198 F C 1.026 176.682 175.800 -0.240 0.000 1.104 198 F CA -0.602 57.122 58.000 -0.459 0.000 1.161 198 F CB 0.528 39.222 39.000 -0.509 0.000 1.146 198 F HN 0.685 nan 8.300 nan 0.000 0.522 199 N N 3.238 121.226 118.700 -1.186 0.000 2.738 199 N HA -0.237 4.502 4.740 -0.000 0.000 0.249 199 N C 0.433 175.728 175.510 -0.358 0.000 1.047 199 N CA 0.735 53.293 53.050 -0.820 0.000 0.707 199 N CB -1.064 36.968 38.487 -0.759 0.000 0.937 199 N HN 0.833 nan 8.380 nan 0.000 0.545 200 A N -0.046 122.619 122.820 -0.258 0.000 2.067 200 A HA 0.435 4.755 4.320 -0.000 0.000 0.219 200 A C 1.634 179.163 177.584 -0.092 0.000 1.158 200 A CA 1.812 53.780 52.037 -0.115 0.000 0.661 200 A CB -0.589 18.380 19.000 -0.051 0.000 0.801 200 A HN 1.817 nan 8.150 nan 0.000 0.452 201 G N -2.350 106.371 108.800 -0.132 0.000 2.710 201 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.668 201 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.668 201 G C -0.067 174.799 174.900 -0.056 0.000 1.320 201 G CA -0.157 44.889 45.100 -0.090 0.000 0.860 201 G HN 0.977 nan 8.290 nan 0.000 0.538 202 Q N -1.426 118.352 119.800 -0.037 0.000 2.434 202 Q HA -0.239 4.101 4.340 -0.000 0.000 0.299 202 Q C 0.347 176.330 176.000 -0.027 0.000 1.286 202 Q CA 1.400 57.191 55.803 -0.020 0.000 0.872 202 Q CB -0.774 27.964 28.738 -0.001 0.000 1.193 202 Q HN 0.722 nan 8.270 nan 0.000 0.466 203 D N -1.307 119.066 120.400 -0.046 0.000 2.538 203 D HA 0.263 4.903 4.640 -0.000 0.000 0.231 203 D C 1.096 177.373 176.300 -0.039 0.000 1.229 203 D CA 0.729 54.701 54.000 -0.047 0.000 0.828 203 D CB 0.102 40.854 40.800 -0.080 0.000 1.035 203 D HN 0.441 nan 8.370 nan 0.000 0.495 204 G N 1.220 110.002 108.800 -0.030 0.000 2.187 204 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.261 204 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.261 204 G C 0.296 175.179 174.900 -0.027 0.000 1.000 204 G CA 0.793 45.880 45.100 -0.022 0.000 0.718 204 G HN 0.412 nan 8.290 nan 0.000 0.519 205 K N 0.478 120.852 120.400 -0.043 0.000 2.281 205 K HA 0.608 4.928 4.320 -0.000 0.000 0.242 205 K C -1.906 174.668 176.600 -0.044 0.000 0.971 205 K CA -1.762 54.498 56.287 -0.045 0.000 0.834 205 K CB 1.555 34.014 32.500 -0.068 0.000 1.181 205 K HN 0.077 nan 8.250 nan 0.000 0.435 206 P HA 0.017 nan 4.420 nan 0.000 0.269 206 P C -0.843 176.433 177.300 -0.039 0.000 1.209 206 P CA -0.317 62.769 63.100 -0.024 0.000 0.776 206 P CB 0.640 32.335 31.700 -0.008 0.000 0.876 207 R N 2.290 122.773 120.500 -0.029 0.000 2.522 207 R HA 0.124 4.464 4.340 -0.000 0.000 0.284 207 R C -0.158 176.131 176.300 -0.018 0.000 1.032 207 R CA -0.219 55.861 56.100 -0.033 0.000 1.049 207 R CB -0.107 30.185 30.300 -0.013 0.000 0.956 207 R HN 0.466 nan 8.270 nan 0.000 0.422 208 L N 7.118 128.310 121.223 -0.052 0.000 2.331 208 L HA 0.313 4.653 4.340 -0.000 0.000 0.278 208 L C 0.417 177.363 176.870 0.127 0.000 1.106 208 L CA -0.360 54.468 54.840 -0.021 0.000 0.824 208 L CB 0.671 42.526 42.059 -0.341 0.000 1.142 208 L HN 0.627 nan 8.230 nan 0.000 0.443 209 I N -0.695 120.001 120.570 0.210 0.000 2.892 209 I HA 0.640 4.810 4.170 -0.000 0.000 0.306 209 I C -0.540 175.722 176.117 0.243 0.000 1.078 209 I CA -0.497 60.918 61.300 0.192 0.000 1.032 209 I CB 2.480 40.533 38.000 0.089 0.000 1.229 209 I HN 0.290 nan 8.210 nan 0.000 0.435 210 T N 4.029 118.691 114.554 0.179 0.000 2.855 210 T HA 0.464 4.814 4.350 -0.000 0.000 0.281 210 T C 0.058 174.792 174.700 0.056 0.000 1.007 210 T CA -0.311 61.879 62.100 0.150 0.000 1.009 210 T CB 2.084 71.061 68.868 0.182 0.000 0.983 210 T HN 0.780 nan 8.240 nan 0.000 0.455 211 M N 1.623 121.254 119.600 0.053 0.000 2.312 211 M HA 0.403 4.883 4.480 -0.000 0.000 0.260 211 M C -0.437 175.888 176.300 0.042 0.000 1.253 211 M CA 0.903 56.221 55.300 0.031 0.000 1.114 211 M CB 0.591 33.203 32.600 0.021 0.000 1.660 211 M HN 0.320 nan 8.290 nan 0.000 0.581 212 K N -0.233 120.204 120.400 0.062 0.000 2.395 212 K HA 0.687 5.007 4.320 -0.000 0.000 0.247 212 K C -0.348 176.328 176.600 0.127 0.000 0.973 212 K CA -0.863 55.467 56.287 0.072 0.000 0.828 212 K CB 1.513 34.037 32.500 0.040 0.000 1.272 212 K HN 0.109 nan 8.250 nan 0.000 0.439 213 G N -0.137 108.744 108.800 0.134 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 0.006 175.008 174.900 0.169 0.000 1.227 213 G CA 0.330 45.552 45.100 0.203 0.000 0.835 213 G HN 0.785 nan 8.290 nan 0.000 0.556 214 G N -0.101 108.863 108.800 0.273 0.000 2.515 214 G HA2 0.239 4.199 3.960 -0.000 0.000 0.686 214 G HA3 0.239 4.199 3.960 -0.000 0.000 0.686 214 G C 0.876 175.600 174.900 -0.292 0.000 1.274 214 G CA 0.506 45.588 45.100 -0.029 0.000 0.874 214 G HN 1.616 nan 8.290 nan 0.000 0.631 215 T N -1.863 112.208 114.554 -0.805 0.000 2.759 215 T HA 0.002 4.352 4.350 -0.000 0.000 0.269 215 T C 2.633 177.196 174.700 -0.228 0.000 1.042 215 T CA 2.362 64.067 62.100 -0.659 0.000 1.140 215 T CB -0.611 67.959 68.868 -0.496 0.000 0.864 215 T HN 2.004 nan 8.240 nan 0.000 0.455 216 G N 1.288 109.980 108.800 -0.180 0.000 2.450 216 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.220 216 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.220 216 G C 1.510 176.324 174.900 -0.143 0.000 1.130 216 G CA 0.538 45.557 45.100 -0.136 0.000 0.760 216 G HN 0.621 nan 8.290 nan 0.000 0.557 217 N N 0.587 119.237 118.700 -0.082 0.000 2.314 217 N HA 0.148 4.888 4.740 -0.000 0.000 0.200 217 N C 0.922 176.349 175.510 -0.138 0.000 1.135 217 N CA 0.072 53.062 53.050 -0.100 0.000 0.835 217 N CB 0.455 38.965 38.487 0.039 0.000 0.989 217 N HN 0.335 nan 8.380 nan 0.000 0.478 218 G N 0.233 108.972 108.800 -0.101 0.000 3.209 218 G HA2 0.493 4.453 3.960 -0.000 0.000 0.236 218 G HA3 0.493 4.453 3.960 -0.000 0.000 0.236 218 G C -1.248 173.548 174.900 -0.172 0.000 1.329 218 G CA -0.433 44.680 45.100 0.021 0.000 1.015 218 G HN 0.071 nan 8.290 nan 0.000 0.571 219 L N -0.234 121.082 121.223 0.154 0.000 2.322 219 L HA 0.743 5.083 4.340 -0.000 0.000 0.279 219 L C -0.272 176.651 176.870 0.089 0.000 1.036 219 L CA -0.557 54.352 54.840 0.116 0.000 0.807 219 L CB 1.759 43.873 42.059 0.091 0.000 1.226 219 L HN 0.622 nan 8.230 nan 0.000 0.433 220 E N 5.542 125.766 120.200 0.040 0.000 2.260 220 E HA 0.540 4.890 4.350 -0.000 0.000 0.266 220 E C -1.590 175.026 176.600 0.027 0.000 0.887 220 E CA -0.627 55.796 56.400 0.038 0.000 0.777 220 E CB 1.346 31.073 29.700 0.046 0.000 1.205 220 E HN 0.668 nan 8.360 nan 0.000 0.414 221 I N 1.298 121.852 120.570 -0.028 0.000 2.647 221 I HA 0.571 4.741 4.170 -0.000 0.000 0.295 221 I C -1.027 175.035 176.117 -0.093 0.000 1.078 221 I CA -1.175 60.092 61.300 -0.055 0.000 1.048 221 I CB 2.123 40.060 38.000 -0.104 0.000 1.239 221 I HN 0.556 nan 8.210 nan 0.000 0.421 222 M N 6.616 126.161 119.600 -0.091 0.000 2.227 222 M HA 0.633 5.113 4.480 -0.000 0.000 0.335 222 M C -2.036 174.148 176.300 -0.193 0.000 1.053 222 M CA -0.509 54.717 55.300 -0.124 0.000 0.973 222 M CB 1.605 34.158 32.600 -0.079 0.000 1.623 222 M HN 0.712 nan 8.290 nan 0.000 0.434 223 L N 2.751 123.844 121.223 -0.217 0.000 2.323 223 L HA 0.595 4.934 4.340 -0.000 0.000 0.265 223 L C -0.995 175.763 176.870 -0.187 0.000 1.012 223 L CA -0.942 53.758 54.840 -0.234 0.000 0.820 223 L CB 2.113 43.990 42.059 -0.302 0.000 1.334 223 L HN 0.604 nan 8.230 nan 0.000 0.427 224 D N 1.163 121.475 120.400 -0.147 0.000 2.440 224 D HA 0.278 4.918 4.640 -0.000 0.000 0.239 224 D C 0.573 176.840 176.300 -0.055 0.000 1.084 224 D CA -0.516 53.436 54.000 -0.081 0.000 0.843 224 D CB 1.449 42.236 40.800 -0.021 0.000 1.097 224 D HN 0.511 nan 8.370 nan 0.000 0.531 225 I N 0.187 120.705 120.570 -0.088 0.000 3.291 225 I HA 0.055 4.225 4.170 -0.000 0.000 0.279 225 I C 0.133 176.246 176.117 -0.008 0.000 1.294 225 I CA 0.010 61.265 61.300 -0.075 0.000 1.428 225 I CB -0.486 37.468 38.000 -0.078 0.000 1.070 225 I HN 0.374 nan 8.210 nan 0.000 0.478 226 Q N 1.824 121.641 119.800 0.028 0.000 2.457 226 Q HA -0.218 4.122 4.340 -0.000 0.000 0.333 226 Q C 0.543 176.625 176.000 0.136 0.000 1.448 226 Q CA 0.519 56.428 55.803 0.178 0.000 0.891 226 Q CB -1.410 27.536 28.738 0.347 0.000 1.142 226 Q HN 0.705 nan 8.270 nan 0.000 0.375 227 Q N 0.568 120.236 119.800 -0.219 0.000 2.364 227 Q HA -0.161 4.179 4.340 -0.000 0.000 0.207 227 Q C 1.524 177.476 176.000 -0.079 0.000 0.970 227 Q CA 1.354 56.876 55.803 -0.470 0.000 0.888 227 Q CB 0.115 28.485 28.738 -0.612 0.000 0.951 227 Q HN 0.671 nan 8.270 nan 0.000 0.469 228 D N 0.222 120.666 120.400 0.072 0.000 2.310 228 D HA -0.165 4.475 4.640 -0.000 0.000 0.212 228 D C 1.046 177.452 176.300 0.178 0.000 0.965 228 D CA 0.806 54.885 54.000 0.132 0.000 0.879 228 D CB 0.039 40.975 40.800 0.226 0.000 0.921 228 D HN 0.169 nan 8.370 nan 0.000 0.510 229 E N -0.598 119.776 120.200 0.290 0.000 2.481 229 E HA 0.011 4.361 4.350 -0.000 0.000 0.198 229 E C -0.230 176.612 176.600 0.402 0.000 1.027 229 E CA -0.383 56.217 56.400 0.332 0.000 0.900 229 E CB 0.115 29.999 29.700 0.306 0.000 0.993 229 E HN 0.291 nan 8.360 nan 0.000 0.482 230 Y N 1.115 121.507 120.300 0.154 0.000 2.610 230 Y HA -0.000 4.550 4.550 -0.000 0.000 0.332 230 Y C 1.099 177.054 175.900 0.091 0.000 1.201 230 Y CA -0.107 58.074 58.100 0.135 0.000 1.465 230 Y CB 0.274 38.778 38.460 0.073 0.000 1.283 230 Y HN -0.086 nan 8.280 nan 0.000 0.563 231 L N 6.755 128.088 121.223 0.183 0.000 2.416 231 L HA 0.152 4.492 4.340 -0.000 0.000 0.272 231 L C -1.877 174.993 176.870 -0.000 0.000 1.161 231 L CA -1.754 53.168 54.840 0.138 0.000 0.845 231 L CB 0.328 42.464 42.059 0.128 0.000 1.119 231 L HN 0.437 nan 8.230 nan 0.000 0.464 232 P HA 0.009 nan 4.420 nan 0.000 0.267 232 P C -0.934 176.128 177.300 -0.397 0.000 1.200 232 P CA -0.112 62.795 63.100 -0.323 0.000 0.772 232 P CB 0.643 31.985 31.700 -0.598 0.000 0.855 233 V N 4.153 123.955 119.914 -0.186 0.000 2.334 233 V HA 0.200 4.320 4.120 -0.000 0.000 0.281 233 V C -0.203 175.994 176.094 0.171 0.000 1.016 233 V CA -0.151 62.143 62.300 -0.010 0.000 0.832 233 V CB 1.051 32.986 31.823 0.188 0.000 0.999 233 V HN 0.717 nan 8.190 nan 0.000 0.439 234 W N 3.476 124.851 121.300 0.126 0.000 2.702 234 W HA 0.651 5.311 4.660 -0.000 0.000 0.369 234 W C 0.691 177.272 176.519 0.104 0.000 0.987 234 W CA -0.210 57.196 57.345 0.101 0.000 1.702 234 W CB 0.819 30.323 29.460 0.074 0.000 1.138 234 W HN 0.704 nan 8.180 nan 0.000 0.552 235 G N 0.402 109.387 108.800 0.308 0.000 2.550 235 G HA2 0.463 4.423 3.960 -0.000 0.000 0.293 235 G HA3 0.463 4.423 3.960 -0.000 0.000 0.293 235 G C -1.579 173.436 174.900 0.191 0.000 1.402 235 G CA -0.762 44.476 45.100 0.230 0.000 0.784 235 G HN -0.128 nan 8.290 nan 0.000 0.482 236 E N 0.439 120.724 120.200 0.141 0.000 2.145 236 E HA 0.548 4.898 4.350 -0.000 0.000 0.262 236 E C -0.314 176.297 176.600 0.018 0.000 0.883 236 E CA -0.638 55.792 56.400 0.051 0.000 0.748 236 E CB 1.888 31.647 29.700 0.099 0.000 1.140 236 E HN 0.671 nan 8.360 nan 0.000 0.417 237 T N -1.165 113.379 114.554 -0.017 0.000 2.865 237 T HA 0.218 4.568 4.350 -0.000 0.000 0.294 237 T C 0.296 174.988 174.700 -0.014 0.000 1.119 237 T CA -0.813 61.292 62.100 0.008 0.000 1.007 237 T CB 1.425 70.315 68.868 0.038 0.000 1.225 237 T HN 0.037 nan 8.240 nan 0.000 0.515 238 D N 0.317 120.728 120.400 0.019 0.000 2.309 238 D HA 0.000 4.640 4.640 -0.000 0.000 0.212 238 D C 1.256 177.565 176.300 0.016 0.000 0.968 238 D CA 1.025 55.031 54.000 0.009 0.000 0.882 238 D CB 0.085 40.912 40.800 0.045 0.000 0.918 238 D HN 0.644 nan 8.370 nan 0.000 0.503 239 E N -0.505 119.730 120.200 0.058 0.000 2.479 239 E HA 0.045 4.395 4.350 -0.000 0.000 0.193 239 E C 0.421 177.056 176.600 0.059 0.000 1.049 239 E CA 0.078 56.535 56.400 0.095 0.000 0.870 239 E CB 0.383 30.190 29.700 0.179 0.000 0.944 239 E HN 0.242 nan 8.360 nan 0.000 0.492 240 T N -2.577 111.974 114.554 -0.004 0.000 2.925 240 T HA 0.627 4.977 4.350 -0.000 0.000 0.285 240 T C -0.036 174.593 174.700 -0.119 0.000 1.021 240 T CA -0.948 61.130 62.100 -0.037 0.000 1.042 240 T CB 1.936 70.782 68.868 -0.038 0.000 1.037 240 T HN -0.101 nan 8.240 nan 0.000 0.481 241 S N 0.692 116.346 115.700 -0.077 0.000 2.538 241 S HA 0.565 5.035 4.470 -0.000 0.000 0.288 241 S C -0.397 174.247 174.600 0.073 0.000 1.108 241 S CA -0.839 57.320 58.200 -0.067 0.000 0.971 241 S CB 0.576 63.787 63.200 0.019 0.000 1.041 241 S HN 0.545 nan 8.310 nan 0.000 0.483 242 F N 1.916 121.921 119.950 0.091 0.000 2.743 242 F HA 0.393 4.920 4.527 -0.000 0.000 0.297 242 F C 0.994 176.852 175.800 0.096 0.000 1.131 242 F CA -0.186 57.868 58.000 0.089 0.000 1.426 242 F CB -0.264 38.779 39.000 0.072 0.000 1.116 242 F HN 0.481 nan 8.300 nan 0.000 0.583 243 E N -0.202 120.156 120.200 0.264 0.000 2.227 243 E HA 0.646 4.996 4.350 -0.000 0.000 0.268 243 E C -0.431 176.303 176.600 0.225 0.000 0.990 243 E CA -0.571 55.948 56.400 0.198 0.000 0.856 243 E CB 1.412 31.199 29.700 0.145 0.000 1.159 243 E HN 0.025 nan 8.360 nan 0.000 0.401 244 A N 1.061 123.976 122.820 0.159 0.000 2.355 244 A HA 0.894 5.214 4.320 -0.000 0.000 0.317 244 A C 0.114 177.745 177.584 0.079 0.000 1.094 244 A CA 0.182 52.309 52.037 0.149 0.000 0.764 244 A CB 1.065 20.023 19.000 -0.071 0.000 1.230 244 A HN 0.679 nan 8.150 nan 0.000 0.448 245 G N 0.254 109.110 108.800 0.094 0.000 2.302 245 G HA2 0.455 4.415 3.960 -0.000 0.000 0.264 245 G HA3 0.455 4.415 3.960 -0.000 0.000 0.264 245 G C -0.896 173.995 174.900 -0.016 0.000 1.335 245 G CA -0.105 45.005 45.100 0.017 0.000 0.982 245 G HN 1.918 nan 8.290 nan 0.000 0.473 246 I N -2.759 117.772 120.570 -0.065 0.000 3.042 246 I HA 0.953 5.123 4.170 -0.000 0.000 0.310 246 I C -0.948 175.058 176.117 -0.186 0.000 1.117 246 I CA -1.370 59.865 61.300 -0.108 0.000 1.003 246 I CB 2.430 40.404 38.000 -0.044 0.000 1.228 246 I HN 0.546 nan 8.210 nan 0.000 0.443 247 K N 2.408 122.634 120.400 -0.290 0.000 2.207 247 K HA 0.782 5.102 4.320 -0.000 0.000 0.255 247 K C -1.535 174.875 176.600 -0.316 0.000 0.941 247 K CA -0.559 55.520 56.287 -0.347 0.000 0.825 247 K CB 1.981 34.153 32.500 -0.546 0.000 1.119 247 K HN 0.595 nan 8.250 nan 0.000 0.430 248 V N 3.262 122.866 119.914 -0.517 0.000 2.876 248 V HA 0.512 4.632 4.120 -0.000 0.000 0.312 248 V C -1.110 174.657 176.094 -0.545 0.000 1.085 248 V CA -0.868 61.086 62.300 -0.577 0.000 0.945 248 V CB 1.970 33.220 31.823 -0.955 0.000 1.017 248 V HN 0.749 nan 8.190 nan 0.000 0.428 249 Q N 2.746 122.465 119.800 -0.136 0.000 2.263 249 Q HA 0.594 4.934 4.340 -0.000 0.000 0.266 249 Q C -1.782 174.376 176.000 0.264 0.000 1.002 249 Q CA -0.507 55.357 55.803 0.101 0.000 0.790 249 Q CB 2.174 30.971 28.738 0.098 0.000 1.272 249 Q HN 0.761 nan 8.270 nan 0.000 0.435 250 I N 5.852 126.588 120.570 0.276 0.000 2.315 250 I HA 0.362 4.532 4.170 -0.000 0.000 0.291 250 I C -0.215 175.970 176.117 0.113 0.000 1.006 250 I CA -0.424 60.918 61.300 0.069 0.000 1.265 250 I CB 0.539 38.490 38.000 -0.082 0.000 1.387 250 I HN 0.587 nan 8.210 nan 0.000 0.475 251 H N 2.901 121.942 119.070 -0.048 0.000 3.017 251 H HA 0.339 4.895 4.556 -0.000 0.000 0.346 251 H C -1.060 174.349 175.328 0.136 0.000 1.286 251 H CA -0.967 55.151 56.048 0.117 0.000 1.120 251 H CB 1.210 31.032 29.762 0.101 0.000 1.860 251 H HN 0.420 nan 8.280 nan 0.000 0.542 252 S N -0.017 115.898 115.700 0.358 0.000 2.568 252 S HA -0.043 4.427 4.470 -0.000 0.000 0.282 252 S C 1.101 175.789 174.600 0.147 0.000 1.338 252 S CA 0.050 58.393 58.200 0.239 0.000 1.045 252 S CB 0.582 63.921 63.200 0.231 0.000 0.873 252 S HN 0.679 nan 8.310 nan 0.000 0.516 253 Q N 1.328 121.169 119.800 0.068 0.000 2.226 253 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 253 Q C 0.857 176.928 176.000 0.119 0.000 0.975 253 Q CA 1.706 57.544 55.803 0.057 0.000 0.866 253 Q CB -0.181 28.564 28.738 0.011 0.000 0.915 253 Q HN 0.914 nan 8.270 nan 0.000 0.440 254 D N -0.282 120.190 120.400 0.120 0.000 2.325 254 D HA -0.021 4.619 4.640 -0.000 0.000 0.225 254 D C -0.157 176.215 176.300 0.119 0.000 1.096 254 D CA 0.088 54.159 54.000 0.119 0.000 0.844 254 D CB 0.040 40.900 40.800 0.099 0.000 0.925 254 D HN 0.101 nan 8.370 nan 0.000 0.513 255 E N 1.398 121.689 120.200 0.150 0.000 2.191 255 E HA 0.265 4.615 4.350 -0.000 0.000 0.263 255 E C -2.631 173.997 176.600 0.047 0.000 0.881 255 E CA -2.575 53.870 56.400 0.075 0.000 0.757 255 E CB 2.114 31.870 29.700 0.093 0.000 1.147 255 E HN -0.041 nan 8.360 nan 0.000 0.414 256 P HA 0.211 nan 4.420 nan 0.000 0.274 256 P C -2.642 174.475 177.300 -0.305 0.000 1.246 256 P CA -1.400 61.631 63.100 -0.115 0.000 0.795 256 P CB 0.573 32.224 31.700 -0.081 0.000 1.006 257 P HA 0.262 nan 4.420 nan 0.000 0.279 257 P C -0.661 176.528 177.300 -0.186 0.000 1.252 257 P CA -0.325 62.534 63.100 -0.402 0.000 0.811 257 P CB 0.812 32.303 31.700 -0.348 0.000 1.035 258 L N 2.387 123.527 121.223 -0.138 0.000 2.745 258 L HA 0.328 4.668 4.340 -0.000 0.000 0.296 258 L C 1.130 177.969 176.870 -0.051 0.000 1.362 258 L CA -0.005 54.784 54.840 -0.086 0.000 0.724 258 L CB -0.524 41.484 42.059 -0.084 0.000 1.069 258 L HN 0.244 nan 8.230 nan 0.000 0.535 259 I N -0.475 120.079 120.570 -0.027 0.000 2.335 259 I HA -0.254 3.916 4.170 -0.000 0.000 0.251 259 I C 1.711 177.924 176.117 0.160 0.000 1.129 259 I CA 1.842 63.176 61.300 0.057 0.000 1.402 259 I CB 0.377 38.419 38.000 0.071 0.000 1.069 259 I HN 0.661 nan 8.210 nan 0.000 0.424 260 D N -0.355 120.079 120.400 0.057 0.000 2.178 260 D HA -0.207 4.433 4.640 -0.000 0.000 0.202 260 D C 2.097 178.383 176.300 -0.024 0.000 0.974 260 D CA 1.242 55.194 54.000 -0.079 0.000 0.841 260 D CB 0.185 40.698 40.800 -0.479 0.000 0.953 260 D HN 0.331 nan 8.370 nan 0.000 0.478 261 Q N -0.726 119.055 119.800 -0.031 0.000 2.226 261 Q HA 0.174 4.514 4.340 -0.000 0.000 0.199 261 Q C 1.919 177.926 176.000 0.012 0.000 0.945 261 Q CA 0.555 56.345 55.803 -0.021 0.000 0.861 261 Q CB 0.384 29.096 28.738 -0.043 0.000 0.953 261 Q HN 0.384 nan 8.270 nan 0.000 0.490 262 L N -0.277 120.959 121.223 0.022 0.000 2.693 262 L HA 0.333 4.673 4.340 -0.000 0.000 0.235 262 L C 1.093 178.017 176.870 0.089 0.000 1.127 262 L CA -0.279 54.590 54.840 0.047 0.000 0.914 262 L CB 0.354 42.431 42.059 0.030 0.000 1.193 262 L HN -0.016 nan 8.230 nan 0.000 0.502 263 G N 0.563 109.411 108.800 0.079 0.000 2.599 263 G HA2 0.348 4.308 3.960 -0.000 0.000 0.264 263 G HA3 0.348 4.308 3.960 -0.000 0.000 0.264 263 G C -0.652 174.321 174.900 0.121 0.000 1.200 263 G CA -0.289 44.848 45.100 0.062 0.000 0.896 263 G HN 0.100 nan 8.290 nan 0.000 0.536 264 F N -1.267 118.697 119.950 0.022 0.000 2.523 264 F HA 0.808 5.335 4.527 -0.000 0.000 0.329 264 F C 0.376 176.173 175.800 -0.005 0.000 1.061 264 F CA -1.332 56.672 58.000 0.006 0.000 0.967 264 F CB 1.312 40.309 39.000 -0.004 0.000 1.218 264 F HN 0.653 nan 8.300 nan 0.000 0.480 265 G N 0.406 109.300 108.800 0.156 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 -1.779 173.175 174.900 0.089 0.000 1.158 265 G CA -0.942 44.176 45.100 0.031 0.000 0.899 265 G HN 0.702 nan 8.290 nan 0.000 0.502 266 V N 0.478 120.392 119.914 0.000 0.000 2.623 266 V HA 0.677 4.797 4.120 -0.000 0.000 0.304 266 V C 0.286 176.385 176.094 0.007 0.000 1.054 266 V CA -0.841 61.471 62.300 0.020 0.000 0.882 266 V CB 1.315 33.130 31.823 -0.014 0.000 1.002 266 V HN 1.155 nan 8.190 nan 0.000 0.424 267 A N 7.072 129.914 122.820 0.037 0.000 2.295 267 A HA 0.944 5.264 4.320 -0.000 0.000 0.318 267 A C -2.490 175.189 177.584 0.160 0.000 1.134 267 A CA -1.723 50.373 52.037 0.098 0.000 0.827 267 A CB 0.866 19.943 19.000 0.128 0.000 1.136 267 A HN 0.602 nan 8.150 nan 0.000 0.493 268 P HA 0.329 nan 4.420 nan 0.000 0.274 268 P C 0.672 177.979 177.300 0.012 0.000 1.231 268 P CA 1.163 64.267 63.100 0.008 0.000 0.790 268 P CB 1.099 32.752 31.700 -0.077 0.000 0.951 269 G N -0.015 108.712 108.800 -0.123 0.000 2.141 269 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.242 269 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.242 269 G C -0.386 174.136 174.900 -0.630 0.000 0.982 269 G CA -0.272 44.616 45.100 -0.354 0.000 0.662 269 G HN 0.444 nan 8.290 nan 0.000 0.527 270 F N -0.722 119.197 119.950 -0.051 0.000 2.626 270 F HA 0.636 5.163 4.527 -0.000 0.000 0.311 270 F C 0.043 175.793 175.800 -0.083 0.000 1.088 270 F CA -0.924 57.049 58.000 -0.044 0.000 0.949 270 F CB 1.898 40.882 39.000 -0.027 0.000 1.322 270 F HN 0.055 nan 8.300 nan 0.000 0.461 271 Q N 1.464 121.327 119.800 0.106 0.000 2.314 271 Q HA 0.525 4.865 4.340 -0.000 0.000 0.259 271 Q C -1.408 174.481 176.000 -0.185 0.000 0.951 271 Q CA -0.372 55.360 55.803 -0.119 0.000 0.909 271 Q CB 1.487 30.098 28.738 -0.213 0.000 1.236 271 Q HN 0.747 nan 8.270 nan 0.000 0.444 272 T N 4.559 118.978 114.554 -0.225 0.000 2.794 272 T HA 0.464 4.814 4.350 -0.000 0.000 0.280 272 T C -0.959 173.601 174.700 -0.232 0.000 0.987 272 T CA -0.264 61.756 62.100 -0.133 0.000 0.993 272 T CB 0.289 69.153 68.868 -0.007 0.000 0.939 272 T HN 0.360 nan 8.240 nan 0.000 0.449 273 F N 1.904 121.918 119.950 0.107 0.000 2.427 273 F HA 0.526 5.053 4.527 -0.000 0.000 0.346 273 F C 0.049 175.886 175.800 0.060 0.000 1.120 273 F CA -1.013 57.104 58.000 0.194 0.000 1.033 273 F CB 1.357 40.507 39.000 0.249 0.000 1.126 273 F HN 0.167 nan 8.300 nan 0.000 0.462 274 V N 2.727 122.716 119.914 0.124 0.000 2.304 274 V HA 0.249 4.369 4.120 -0.000 0.000 0.278 274 V C -0.131 175.566 176.094 -0.662 0.000 1.018 274 V CA -0.631 61.541 62.300 -0.214 0.000 0.814 274 V CB 1.191 32.894 31.823 -0.201 0.000 1.021 274 V HN 0.769 nan 8.190 nan 0.000 0.440 275 S N 4.501 119.776 115.700 -0.709 0.000 2.439 275 S HA 0.452 4.922 4.470 -0.000 0.000 0.282 275 S C -0.059 174.172 174.600 -0.615 0.000 1.170 275 S CA -0.313 57.291 58.200 -0.993 0.000 1.054 275 S CB -0.010 62.913 63.200 -0.461 0.000 0.956 275 S HN 0.802 nan 8.310 nan 0.000 0.490 276 C N 3.604 122.472 119.300 -0.719 0.000 2.505 276 C HA 0.739 5.199 4.460 -0.000 0.000 0.358 276 C C -0.196 174.640 174.990 -0.258 0.000 1.226 276 C CA -0.782 57.882 59.018 -0.590 0.000 1.900 276 C CB 1.410 28.538 27.740 -1.019 0.000 2.306 276 C HN 0.872 nan 8.230 nan 0.000 0.512 277 Q N 0.903 120.704 119.800 0.001 0.000 2.263 277 Q HA 0.288 4.628 4.340 -0.000 0.000 0.262 277 Q C -1.234 174.954 176.000 0.314 0.000 0.984 277 Q CA -0.097 55.859 55.803 0.256 0.000 0.813 277 Q CB 1.590 30.392 28.738 0.108 0.000 1.299 277 Q HN 0.856 nan 8.270 nan 0.000 0.428 278 E N 3.069 123.552 120.200 0.471 0.000 2.289 278 E HA 0.132 4.481 4.350 -0.000 0.000 0.278 278 E C -1.108 175.483 176.600 -0.015 0.000 1.032 278 E CA 0.048 56.583 56.400 0.226 0.000 0.854 278 E CB 0.852 30.764 29.700 0.352 0.000 1.046 278 E HN 0.509 nan 8.360 nan 0.000 0.409 279 Q N 3.508 123.188 119.800 -0.201 0.000 2.320 279 Q HA 0.303 4.643 4.340 -0.000 0.000 0.268 279 Q C -0.927 174.928 176.000 -0.240 0.000 1.023 279 Q CA -0.890 54.777 55.803 -0.228 0.000 0.744 279 Q CB 1.928 30.568 28.738 -0.163 0.000 1.246 279 Q HN 0.209 nan 8.270 nan 0.000 0.462 280 R N 3.054 123.384 120.500 -0.282 0.000 2.198 280 R HA 0.399 4.739 4.340 -0.000 0.000 0.339 280 R C -1.704 174.472 176.300 -0.206 0.000 1.020 280 R CA -0.282 55.706 56.100 -0.185 0.000 0.864 280 R CB 0.140 30.379 30.300 -0.102 0.000 1.105 280 R HN 0.505 nan 8.270 nan 0.000 0.463 281 L N 5.814 126.926 121.223 -0.185 0.000 2.296 281 L HA 0.510 4.850 4.340 -0.000 0.000 0.286 281 L C -0.459 176.160 176.870 -0.419 0.000 1.023 281 L CA -0.474 54.172 54.840 -0.323 0.000 0.812 281 L CB 1.566 43.459 42.059 -0.276 0.000 1.223 281 L HN 0.446 nan 8.230 nan 0.000 0.421 282 I N 3.502 123.765 120.570 -0.511 0.000 2.406 282 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 282 I C -0.525 175.269 176.117 -0.539 0.000 0.999 282 I CA -0.679 60.397 61.300 -0.373 0.000 1.124 282 I CB 1.256 39.143 38.000 -0.189 0.000 1.289 282 I HN 0.424 nan 8.210 nan 0.000 0.441 283 Y N 5.129 125.411 120.300 -0.030 0.000 2.549 283 Y HA 0.585 5.135 4.550 -0.000 0.000 0.339 283 Y C 0.136 176.008 175.900 -0.048 0.000 1.053 283 Y CA -0.879 57.194 58.100 -0.045 0.000 1.105 283 Y CB 1.610 40.050 38.460 -0.033 0.000 1.258 283 Y HN 0.303 nan 8.280 nan 0.000 0.478 284 L N 4.869 126.153 121.223 0.100 0.000 2.343 284 L HA 0.494 4.834 4.340 -0.000 0.000 0.275 284 L C -2.199 174.737 176.870 0.109 0.000 1.056 284 L CA -1.877 52.994 54.840 0.052 0.000 0.804 284 L CB 1.391 43.456 42.059 0.010 0.000 1.203 284 L HN 0.366 nan 8.230 nan 0.000 0.440 285 P HA 0.344 nan 4.420 nan 0.000 0.279 285 P C -2.762 174.634 177.300 0.160 0.000 1.276 285 P CA -2.141 61.025 63.100 0.109 0.000 0.801 285 P CB 0.218 31.970 31.700 0.086 0.000 1.127 286 P HA 0.077 nan 4.420 nan 0.000 0.269 286 P C -1.492 175.717 177.300 -0.153 0.000 1.215 286 P CA -0.748 62.312 63.100 -0.068 0.000 0.780 286 P CB -0.700 30.940 31.700 -0.100 0.000 0.898 287 P HA -0.045 nan 4.420 nan 0.000 0.245 287 P C 0.833 177.802 177.300 -0.551 0.000 1.212 287 P CA 0.839 63.504 63.100 -0.725 0.000 0.774 287 P CB 0.089 30.983 31.700 -1.342 0.000 0.999 288 W N 1.008 122.186 121.300 -0.204 0.000 2.409 288 W HA 0.123 4.783 4.660 -0.000 0.000 0.299 288 W C 1.267 177.738 176.519 -0.080 0.000 1.203 288 W CA 1.478 58.784 57.345 -0.065 0.000 1.298 288 W CB -0.750 28.690 29.460 -0.033 0.000 1.127 288 W HN -0.026 nan 8.180 nan 0.000 0.528 289 G N -0.328 108.554 108.800 0.137 0.000 3.135 289 G HA2 0.314 4.274 3.960 -0.000 0.000 0.278 289 G HA3 0.314 4.274 3.960 -0.000 0.000 0.278 289 G C -1.320 173.578 174.900 -0.003 0.000 1.302 289 G CA -0.382 44.735 45.100 0.029 0.000 0.880 289 G HN -0.118 nan 8.290 nan 0.000 0.574 290 D N -0.631 119.752 120.400 -0.029 0.000 2.571 290 D HA 0.209 4.849 4.640 -0.000 0.000 0.239 290 D C 0.785 177.055 176.300 -0.050 0.000 1.267 290 D CA -0.308 53.666 54.000 -0.044 0.000 0.823 290 D CB 0.263 41.031 40.800 -0.054 0.000 1.056 290 D HN 0.595 nan 8.370 nan 0.000 0.494 291 c N 1.071 119.654 118.600 -0.028 0.000 2.443 291 c HA 0.755 5.325 4.570 -0.000 0.000 0.369 291 c C 0.079 174.154 174.090 -0.024 0.000 1.241 291 c CA -1.193 55.125 56.329 -0.018 0.000 2.413 291 c CB 0.614 43.151 42.510 0.046 0.000 2.451 291 c HN 0.291 nan 8.230 nan 0.000 0.595 292 K N 2.434 122.799 120.400 -0.059 0.000 2.345 292 K HA 0.768 5.088 4.320 -0.000 0.000 0.255 292 K C -0.446 176.085 176.600 -0.115 0.000 0.934 292 K CA -0.322 55.876 56.287 -0.148 0.000 0.801 292 K CB 1.686 33.987 32.500 -0.331 0.000 1.137 292 K HN 0.989 nan 8.250 nan 0.000 0.424 293 A N 1.819 124.604 122.820 -0.059 0.000 2.249 293 A HA 0.335 4.655 4.320 -0.000 0.000 0.281 293 A C -0.060 177.521 177.584 -0.005 0.000 1.127 293 A CA -0.718 51.325 52.037 0.011 0.000 0.833 293 A CB 0.163 19.177 19.000 0.022 0.000 1.140 293 A HN 0.754 nan 8.150 nan 0.000 0.502 294 T N 2.166 116.762 114.554 0.070 0.000 4.104 294 T HA 0.301 4.651 4.350 -0.000 0.000 0.285 294 T C 0.124 174.850 174.700 0.044 0.000 1.346 294 T CA 0.342 62.498 62.100 0.092 0.000 1.158 294 T CB -1.073 67.871 68.868 0.127 0.000 1.290 294 T HN 0.608 nan 8.240 nan 0.000 0.975 295 T N 1.136 115.691 114.554 0.002 0.000 2.897 295 T HA 0.691 5.041 4.350 -0.000 0.000 0.278 295 T C 1.164 175.863 174.700 -0.001 0.000 0.981 295 T CA 0.151 62.248 62.100 -0.003 0.000 0.973 295 T CB 1.310 70.165 68.868 -0.023 0.000 1.092 295 T HN 0.675 nan 8.240 nan 0.000 0.543 296 G N 1.357 110.155 108.800 -0.002 0.000 2.528 296 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.262 296 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.262 296 G C -1.031 173.872 174.900 0.005 0.000 1.200 296 G CA -0.071 45.027 45.100 -0.003 0.000 0.951 296 G HN 0.742 nan 8.290 nan 0.000 0.566 297 D N 0.122 120.523 120.400 0.001 0.000 2.392 297 D HA 0.556 5.196 4.640 -0.000 0.000 0.246 297 D C 0.411 176.720 176.300 0.014 0.000 1.013 297 D CA 0.365 54.366 54.000 0.001 0.000 0.993 297 D CB 1.459 42.246 40.800 -0.021 0.000 1.219 297 D HN 0.815 nan 8.370 nan 0.000 0.538 298 S N -0.443 115.265 115.700 0.013 0.000 3.036 298 S HA 0.084 4.554 4.470 -0.000 0.000 0.301 298 S C 0.933 175.509 174.600 -0.041 0.000 1.205 298 S CA -0.569 57.652 58.200 0.035 0.000 0.999 298 S CB 0.955 64.185 63.200 0.050 0.000 1.337 298 S HN 0.484 nan 8.310 nan 0.000 0.515 299 E N 1.824 121.984 120.200 -0.068 0.000 2.097 299 E HA -0.188 4.161 4.350 -0.000 0.000 0.196 299 E C 0.062 176.333 176.600 -0.549 0.000 1.000 299 E CA 1.587 57.810 56.400 -0.295 0.000 0.804 299 E CB 0.049 29.608 29.700 -0.235 0.000 0.740 299 E HN 0.807 nan 8.360 nan 0.000 0.454 300 F N -2.981 116.956 119.950 -0.022 0.000 2.839 300 F HA 0.259 4.786 4.527 -0.000 0.000 0.355 300 F C -0.557 174.895 175.800 -0.578 0.000 0.904 300 F CA -0.328 57.504 58.000 -0.281 0.000 1.098 300 F CB 0.788 39.618 39.000 -0.282 0.000 0.982 300 F HN -0.158 nan 8.300 nan 0.000 0.600 301 Y N 0.443 120.869 120.300 0.209 0.000 2.477 301 Y HA 0.335 4.885 4.550 -0.000 0.000 0.347 301 Y C 0.852 176.816 175.900 0.106 0.000 0.981 301 Y CA -1.572 56.611 58.100 0.140 0.000 1.033 301 Y CB 0.900 39.433 38.460 0.121 0.000 1.245 301 Y HN -0.195 nan 8.280 nan 0.000 0.455 302 D N 0.654 121.183 120.400 0.215 0.000 2.144 302 D HA -0.055 4.585 4.640 -0.000 0.000 0.200 302 D C 0.151 176.547 176.300 0.159 0.000 0.978 302 D CA 1.445 55.533 54.000 0.147 0.000 0.833 302 D CB 0.239 41.105 40.800 0.109 0.000 0.961 302 D HN 0.481 nan 8.370 nan 0.000 0.470 303 T N -0.573 114.092 114.554 0.184 0.000 2.918 303 T HA 0.251 4.601 4.350 -0.000 0.000 0.286 303 T C -0.652 174.159 174.700 0.185 0.000 1.026 303 T CA -0.600 61.598 62.100 0.164 0.000 1.031 303 T CB 1.915 70.857 68.868 0.122 0.000 1.046 303 T HN -0.103 nan 8.240 nan 0.000 0.479 304 Y N 2.524 122.864 120.300 0.066 0.000 2.313 304 Y HA 0.537 5.087 4.550 -0.000 0.000 0.332 304 Y C 0.155 176.068 175.900 0.021 0.000 1.071 304 Y CA -0.352 57.775 58.100 0.045 0.000 1.169 304 Y CB 0.573 39.058 38.460 0.041 0.000 1.192 304 Y HN 0.761 nan 8.280 nan 0.000 0.487 305 S N 4.459 119.667 115.700 -0.819 0.000 2.570 305 S HA 0.405 4.875 4.470 -0.000 0.000 0.270 305 S C 0.320 174.476 174.600 -0.739 0.000 1.149 305 S CA -0.868 56.972 58.200 -0.600 0.000 0.837 305 S CB 0.681 63.711 63.200 -0.282 0.000 1.124 305 S HN 0.703 nan 8.310 nan 0.000 0.465 306 I N 1.042 121.351 120.570 -0.435 0.000 2.208 306 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 306 I C 2.577 178.537 176.117 -0.260 0.000 1.097 306 I CA 1.766 62.887 61.300 -0.299 0.000 1.363 306 I CB -0.728 37.178 38.000 -0.156 0.000 1.051 306 I HN 0.780 nan 8.210 nan 0.000 0.413 307 T N 0.700 115.105 114.554 -0.249 0.000 2.746 307 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 307 T C 2.072 176.577 174.700 -0.324 0.000 1.039 307 T CA 1.419 63.379 62.100 -0.234 0.000 1.142 307 T CB -0.298 68.442 68.868 -0.213 0.000 0.866 307 T HN 0.488 nan 8.240 nan 0.000 0.444 308 A N 0.510 123.049 122.820 -0.468 0.000 1.908 308 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 308 A C 2.734 180.152 177.584 -0.277 0.000 1.181 308 A CA 1.809 53.441 52.037 -0.675 0.000 0.627 308 A CB -1.451 17.167 19.000 -0.637 0.000 0.818 308 A HN 0.660 nan 8.150 nan 0.000 0.445 309 c N -0.293 118.178 118.600 -0.215 0.000 2.429 309 c HA -0.068 4.502 4.570 -0.000 0.000 0.277 309 c C 2.864 176.956 174.090 0.004 0.000 1.262 309 c CA 1.323 57.645 56.329 -0.013 0.000 1.733 309 c CB -1.316 41.204 42.510 0.017 0.000 2.010 309 c HN 0.637 nan 8.230 nan 0.000 0.483 310 R N 0.378 120.841 120.500 -0.062 0.000 2.081 310 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 310 R C 2.136 178.425 176.300 -0.018 0.000 1.131 310 R CA 1.851 57.928 56.100 -0.039 0.000 0.960 310 R CB -0.405 29.854 30.300 -0.068 0.000 0.856 310 R HN 0.567 nan 8.270 nan 0.000 0.436 311 I N 0.728 121.274 120.570 -0.040 0.000 2.286 311 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 311 I C 1.539 177.677 176.117 0.035 0.000 1.115 311 I CA 1.357 62.652 61.300 -0.008 0.000 1.392 311 I CB -0.318 37.676 38.000 -0.011 0.000 1.065 311 I HN 0.124 nan 8.210 nan 0.000 0.418 312 D N 0.090 120.562 120.400 0.121 0.000 2.097 312 D HA -0.205 4.435 4.640 -0.000 0.000 0.195 312 D C 2.267 178.670 176.300 0.173 0.000 0.989 312 D CA 1.179 55.317 54.000 0.229 0.000 0.827 312 D CB -0.129 40.889 40.800 0.362 0.000 0.966 312 D HN 0.342 nan 8.370 nan 0.000 0.456 313 c N 0.818 119.499 118.600 0.134 0.000 2.432 313 c HA -0.105 4.465 4.570 -0.000 0.000 0.277 313 c C 2.366 176.527 174.090 0.118 0.000 1.249 313 c CA 0.947 57.353 56.329 0.129 0.000 1.725 313 c CB -1.021 41.548 42.510 0.099 0.000 2.028 313 c HN 0.337 nan 8.230 nan 0.000 0.477 314 E N -0.169 120.068 120.200 0.063 0.000 2.085 314 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 314 E C 2.176 178.821 176.600 0.076 0.000 0.994 314 E CA 2.005 58.436 56.400 0.052 0.000 0.801 314 E CB -0.321 29.384 29.700 0.007 0.000 0.743 314 E HN 0.663 nan 8.360 nan 0.000 0.453 315 T N 0.977 115.545 114.554 0.024 0.000 2.652 315 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 315 T C 1.809 176.540 174.700 0.052 0.000 1.039 315 T CA 1.211 63.301 62.100 -0.017 0.000 1.153 315 T CB -0.198 68.603 68.868 -0.112 0.000 0.863 315 T HN 0.145 nan 8.240 nan 0.000 0.428 316 R N -0.232 120.336 120.500 0.114 0.000 2.083 316 R HA -0.124 4.216 4.340 -0.000 0.000 0.237 316 R C 2.338 178.705 176.300 0.112 0.000 1.137 316 R CA 1.638 57.812 56.100 0.124 0.000 0.951 316 R CB -0.656 29.738 30.300 0.157 0.000 0.851 316 R HN 0.445 nan 8.270 nan 0.000 0.434 317 Y N 1.329 121.639 120.300 0.017 0.000 2.165 317 Y HA -0.235 4.314 4.550 -0.000 0.000 0.286 317 Y C 2.004 177.879 175.900 -0.041 0.000 1.155 317 Y CA 1.482 59.573 58.100 -0.015 0.000 1.164 317 Y CB -0.147 38.303 38.460 -0.017 0.000 0.978 317 Y HN -0.074 nan 8.280 nan 0.000 0.513 318 L N -1.249 120.030 121.223 0.094 0.000 2.109 318 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 318 L C 2.409 179.234 176.870 -0.075 0.000 1.086 318 L CA 1.089 55.923 54.840 -0.011 0.000 0.760 318 L CB -0.878 41.182 42.059 0.002 0.000 0.910 318 L HN 0.089 nan 8.230 nan 0.000 0.437 319 V N -0.819 119.066 119.914 -0.048 0.000 2.343 319 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 319 V C 2.600 178.648 176.094 -0.077 0.000 1.051 319 V CA 1.534 63.804 62.300 -0.050 0.000 1.036 319 V CB -0.440 31.371 31.823 -0.020 0.000 0.654 319 V HN 0.428 nan 8.190 nan 0.000 0.451 320 E N 0.580 120.717 120.200 -0.104 0.000 2.051 320 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 320 E C 1.978 178.464 176.600 -0.192 0.000 0.991 320 E CA 1.653 57.970 56.400 -0.137 0.000 0.799 320 E CB -0.277 29.329 29.700 -0.156 0.000 0.748 320 E HN 0.692 nan 8.360 nan 0.000 0.449 321 N N -1.394 117.130 118.700 -0.293 0.000 2.415 321 N HA -0.026 4.714 4.740 -0.000 0.000 0.176 321 N C 1.134 176.542 175.510 -0.171 0.000 1.042 321 N CA 0.558 53.435 53.050 -0.287 0.000 0.902 321 N CB 0.367 38.573 38.487 -0.468 0.000 0.986 321 N HN 0.082 nan 8.380 nan 0.000 0.447 322 c N -0.783 117.738 118.600 -0.132 0.000 3.724 322 c HA 0.333 4.903 4.570 -0.000 0.000 0.327 322 c C 0.676 174.731 174.090 -0.058 0.000 1.490 322 c CA -0.724 55.556 56.329 -0.082 0.000 1.825 322 c CB -0.939 41.528 42.510 -0.072 0.000 2.613 322 c HN 0.501 nan 8.230 nan 0.000 0.692 323 N N 1.065 119.727 118.700 -0.064 0.000 2.735 323 N HA -0.187 4.553 4.740 -0.000 0.000 0.248 323 N C -0.466 175.023 175.510 -0.035 0.000 1.083 323 N CA 1.333 54.355 53.050 -0.046 0.000 0.703 323 N CB -1.358 37.107 38.487 -0.037 0.000 1.005 323 N HN 0.856 nan 8.380 nan 0.000 0.550 324 c N -1.855 116.721 118.600 -0.040 0.000 3.312 324 c HA 0.842 5.412 4.570 -0.000 0.000 0.332 324 c C -0.304 173.760 174.090 -0.042 0.000 1.340 324 c CA -1.151 55.160 56.329 -0.029 0.000 1.265 324 c CB 1.504 44.020 42.510 0.008 0.000 1.563 324 c HN 0.501 nan 8.230 nan 0.000 0.471 325 R N 1.624 122.108 120.500 -0.026 0.000 2.740 325 R HA 0.818 5.158 4.340 -0.000 0.000 0.282 325 R C -0.569 175.760 176.300 0.049 0.000 0.969 325 R CA -0.810 55.269 56.100 -0.034 0.000 0.918 325 R CB 1.224 31.484 30.300 -0.066 0.000 1.175 325 R HN 0.815 nan 8.270 nan 0.000 0.464 326 M N 1.499 121.061 119.600 -0.064 0.000 2.226 326 M HA 0.049 4.529 4.480 -0.000 0.000 0.324 326 M C 1.257 177.652 176.300 0.158 0.000 1.112 326 M CA -0.363 54.942 55.300 0.009 0.000 1.176 326 M CB 1.356 33.916 32.600 -0.068 0.000 1.430 326 M HN 0.516 nan 8.290 nan 0.000 0.462 327 V N 1.030 121.109 119.914 0.275 0.000 2.453 327 V HA -0.270 3.849 4.120 -0.000 0.000 0.252 327 V C 2.229 178.317 176.094 -0.011 0.000 1.068 327 V CA 1.990 64.261 62.300 -0.048 0.000 1.070 327 V CB -1.352 30.415 31.823 -0.093 0.000 0.664 327 V HN 0.861 nan 8.190 nan 0.000 0.461 328 H N -1.975 117.100 119.070 0.008 0.000 2.539 328 H HA 0.248 4.804 4.556 -0.000 0.000 0.267 328 H C 0.707 176.052 175.328 0.029 0.000 0.982 328 H CA -0.197 55.864 56.048 0.021 0.000 1.146 328 H CB -0.297 29.458 29.762 -0.012 0.000 1.382 328 H HN 0.369 nan 8.280 nan 0.000 0.577 329 M N 2.707 122.125 119.600 -0.303 0.000 2.367 329 M HA 0.333 4.813 4.480 -0.000 0.000 0.339 329 M C -2.184 174.005 176.300 -0.185 0.000 1.177 329 M CA -1.912 53.218 55.300 -0.283 0.000 1.068 329 M CB 1.905 34.304 32.600 -0.335 0.000 1.602 329 M HN -0.003 nan 8.290 nan 0.000 0.457 330 P HA 0.538 nan 4.420 nan 0.000 0.279 330 P C 0.047 177.072 177.300 -0.458 0.000 1.282 330 P CA 0.136 62.972 63.100 -0.440 0.000 0.788 330 P CB 0.868 32.096 31.700 -0.786 0.000 1.139 331 G N 0.758 109.466 108.800 -0.152 0.000 2.447 331 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.220 331 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.220 331 G C -0.588 174.318 174.900 0.011 0.000 1.261 331 G CA 0.267 45.446 45.100 0.131 0.000 1.000 331 G HN 0.670 nan 8.290 nan 0.000 0.515 332 D N -0.737 119.656 120.400 -0.012 0.000 2.539 332 D HA 0.583 5.223 4.640 -0.000 0.000 0.232 332 D C 1.082 177.294 176.300 -0.146 0.000 1.256 332 D CA 1.096 55.042 54.000 -0.090 0.000 0.810 332 D CB 0.315 41.091 40.800 -0.040 0.000 1.090 332 D HN 1.177 nan 8.370 nan 0.000 0.519 333 A N 1.768 124.507 122.820 -0.135 0.000 2.448 333 A HA 0.444 4.764 4.320 -0.000 0.000 0.239 333 A C -1.987 175.451 177.584 -0.243 0.000 1.080 333 A CA -0.857 51.098 52.037 -0.136 0.000 0.779 333 A CB -0.165 18.780 19.000 -0.092 0.000 1.026 333 A HN 0.159 nan 8.150 nan 0.000 0.499 334 P HA 0.105 nan 4.420 nan 0.000 0.271 334 P C -1.099 176.116 177.300 -0.141 0.000 1.218 334 P CA 0.196 63.188 63.100 -0.180 0.000 0.780 334 P CB 0.222 31.884 31.700 -0.064 0.000 0.901 335 Y N 0.614 120.924 120.300 0.016 0.000 2.425 335 Y HA 0.032 4.582 4.550 -0.000 0.000 0.331 335 Y C 1.233 177.193 175.900 0.100 0.000 1.157 335 Y CA -0.143 57.987 58.100 0.051 0.000 1.372 335 Y CB -0.200 38.291 38.460 0.052 0.000 1.253 335 Y HN 0.370 nan 8.280 nan 0.000 0.536 336 c N 3.104 121.891 118.600 0.312 0.000 2.657 336 c HA 0.225 4.795 4.570 -0.000 0.000 0.420 336 c C 1.025 175.361 174.090 0.410 0.000 1.323 336 c CA -0.765 55.723 56.329 0.265 0.000 1.894 336 c CB -0.976 41.590 42.510 0.093 0.000 2.681 336 c HN 0.912 nan 8.230 nan 0.000 0.613 337 T N 1.385 116.128 114.554 0.315 0.000 2.816 337 T HA 0.246 4.596 4.350 -0.000 0.000 0.282 337 T C -1.338 173.574 174.700 0.353 0.000 0.993 337 T CA -1.165 61.122 62.100 0.312 0.000 0.994 337 T CB 0.698 69.703 68.868 0.229 0.000 1.025 337 T HN 0.540 nan 8.240 nan 0.000 0.529 338 P HA -0.066 nan 4.420 nan 0.000 0.220 338 P C 0.868 178.255 177.300 0.145 0.000 1.148 338 P CA 1.068 64.249 63.100 0.137 0.000 0.803 338 P CB 0.138 31.820 31.700 -0.030 0.000 0.782 339 E N 0.315 120.587 120.200 0.120 0.000 2.072 339 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 339 E C 2.325 178.993 176.600 0.113 0.000 0.982 339 E CA 1.133 57.580 56.400 0.079 0.000 0.803 339 E CB -0.871 28.863 29.700 0.056 0.000 0.755 339 E HN 0.392 nan 8.360 nan 0.000 0.453 340 Q N -0.901 118.991 119.800 0.153 0.000 2.230 340 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 340 Q C 1.534 177.614 176.000 0.134 0.000 0.963 340 Q CA 0.835 56.710 55.803 0.120 0.000 0.866 340 Q CB -0.113 28.690 28.738 0.108 0.000 0.931 340 Q HN 0.335 nan 8.270 nan 0.000 0.452 341 Y N 1.201 121.550 120.300 0.082 0.000 2.114 341 Y HA -0.246 4.304 4.550 -0.000 0.000 0.284 341 Y C 2.454 178.395 175.900 0.068 0.000 1.143 341 Y CA 1.652 59.809 58.100 0.095 0.000 1.135 341 Y CB 0.010 38.545 38.460 0.126 0.000 0.980 341 Y HN -0.045 nan 8.280 nan 0.000 0.499 342 K N -0.039 120.497 120.400 0.226 0.000 2.057 342 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 342 K C 1.669 178.313 176.600 0.073 0.000 1.050 342 K CA 1.686 58.047 56.287 0.124 0.000 0.935 342 K CB 0.047 32.591 32.500 0.074 0.000 0.715 342 K HN 0.226 nan 8.250 nan 0.000 0.439 343 E N -0.412 119.824 120.200 0.060 0.000 2.190 343 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 343 E C 1.761 178.372 176.600 0.019 0.000 0.978 343 E CA 0.659 57.077 56.400 0.031 0.000 0.839 343 E CB 0.285 29.998 29.700 0.021 0.000 0.787 343 E HN 0.361 nan 8.360 nan 0.000 0.473 344 c N -0.664 117.947 118.600 0.019 0.000 2.638 344 c HA 0.482 5.052 4.570 -0.000 0.000 0.470 344 c C 2.660 176.740 174.090 -0.015 0.000 1.382 344 c CA 0.778 57.103 56.329 -0.007 0.000 2.604 344 c CB -0.352 42.144 42.510 -0.023 0.000 2.937 344 c HN 0.376 nan 8.230 nan 0.000 0.556 345 A N 0.891 123.681 122.820 -0.051 0.000 1.858 345 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 345 A C 1.755 179.305 177.584 -0.056 0.000 1.190 345 A CA 2.458 54.424 52.037 -0.118 0.000 0.617 345 A CB -0.877 17.902 19.000 -0.368 0.000 0.827 345 A HN 0.661 nan 8.150 nan 0.000 0.443 346 D N -0.504 119.892 120.400 -0.007 0.000 2.097 346 D HA -0.085 4.555 4.640 -0.000 0.000 0.195 346 D C -0.301 176.035 176.300 0.061 0.000 0.989 346 D CA 1.707 55.740 54.000 0.056 0.000 0.827 346 D CB -1.586 39.285 40.800 0.119 0.000 0.966 346 D HN 0.280 nan 8.370 nan 0.000 0.456 347 P HA -0.087 nan 4.420 nan 0.000 0.216 347 P C 1.196 178.566 177.300 0.116 0.000 1.150 347 P CA 1.841 64.986 63.100 0.075 0.000 0.837 347 P CB -0.010 31.720 31.700 0.050 0.000 0.786 348 A N -0.698 122.188 122.820 0.110 0.000 1.873 348 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 348 A C 2.124 179.841 177.584 0.222 0.000 1.186 348 A CA 1.441 53.603 52.037 0.209 0.000 0.616 348 A CB -1.664 17.440 19.000 0.173 0.000 0.823 348 A HN 0.145 nan 8.150 nan 0.000 0.442 349 L N 0.121 121.415 121.223 0.119 0.000 2.056 349 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 349 L C 1.575 178.466 176.870 0.035 0.000 1.078 349 L CA 2.400 57.278 54.840 0.064 0.000 0.749 349 L CB -0.742 41.347 42.059 0.049 0.000 0.901 349 L HN 0.328 nan 8.230 nan 0.000 0.433 350 D N -0.902 119.532 120.400 0.058 0.000 2.123 350 D HA -0.258 4.382 4.640 -0.000 0.000 0.196 350 D C 2.012 178.335 176.300 0.038 0.000 0.992 350 D CA 1.550 55.571 54.000 0.036 0.000 0.833 350 D CB -0.350 40.482 40.800 0.054 0.000 0.954 350 D HN 0.428 nan 8.370 nan 0.000 0.455 351 F N 1.367 121.299 119.950 -0.029 0.000 2.095 351 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 351 F C 2.048 177.791 175.800 -0.095 0.000 1.104 351 F CA 1.213 59.188 58.000 -0.042 0.000 1.232 351 F CB -0.412 38.572 39.000 -0.025 0.000 0.987 351 F HN -0.100 nan 8.300 nan 0.000 0.475 352 L N 0.194 121.213 121.223 -0.340 0.000 2.017 352 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 352 L C 2.503 179.174 176.870 -0.331 0.000 1.073 352 L CA 1.527 56.087 54.840 -0.467 0.000 0.745 352 L CB -0.937 40.932 42.059 -0.316 0.000 0.894 352 L HN 0.288 nan 8.230 nan 0.000 0.432 353 V N -4.018 115.776 119.914 -0.200 0.000 3.306 353 V HA -0.014 4.106 4.120 -0.000 0.000 0.264 353 V C 1.559 177.570 176.094 -0.139 0.000 1.149 353 V CA 0.975 63.188 62.300 -0.145 0.000 1.143 353 V CB -0.135 31.632 31.823 -0.093 0.000 0.767 353 V HN 0.452 nan 8.190 nan 0.000 0.476 354 E N 0.396 120.496 120.200 -0.166 0.000 2.279 354 E HA 0.164 4.514 4.350 -0.000 0.000 0.199 354 E C 1.858 178.363 176.600 -0.159 0.000 0.893 354 E CA 0.271 56.598 56.400 -0.122 0.000 0.978 354 E CB 0.196 29.859 29.700 -0.061 0.000 0.964 354 E HN 0.466 nan 8.360 nan 0.000 0.486 355 K N 0.915 121.160 120.400 -0.258 0.000 2.276 355 K HA 0.045 4.365 4.320 -0.000 0.000 0.198 355 K C 0.292 176.649 176.600 -0.405 0.000 1.052 355 K CA 0.073 56.210 56.287 -0.250 0.000 0.984 355 K CB 0.182 32.648 32.500 -0.057 0.000 0.836 355 K HN -0.022 nan 8.250 nan 0.000 0.490 356 D N 1.237 121.125 120.400 -0.855 0.000 2.525 356 D HA -0.056 4.584 4.640 -0.000 0.000 0.235 356 D C 0.019 176.178 176.300 -0.234 0.000 1.137 356 D CA 0.857 54.474 54.000 -0.638 0.000 0.868 356 D CB 0.444 40.798 40.800 -0.742 0.000 1.180 356 D HN 0.096 nan 8.370 nan 0.000 0.465 357 N N 1.301 119.947 118.700 -0.089 0.000 2.145 357 N HA 0.064 4.804 4.740 -0.000 0.000 0.219 357 N C 0.284 175.767 175.510 -0.045 0.000 1.266 357 N CA -0.069 52.946 53.050 -0.058 0.000 0.902 357 N CB 0.821 39.289 38.487 -0.032 0.000 1.078 357 N HN 0.630 nan 8.380 nan 0.000 0.513 358 E N -1.139 119.037 120.200 -0.041 0.000 2.555 358 E HA 0.051 4.401 4.350 -0.000 0.000 0.209 358 E C 0.584 177.119 176.600 -0.108 0.000 0.847 358 E CA -0.198 56.145 56.400 -0.096 0.000 1.438 358 E CB -0.289 29.315 29.700 -0.160 0.000 1.420 358 E HN 0.131 nan 8.360 nan 0.000 0.755 359 Y N 1.755 122.068 120.300 0.022 0.000 2.089 359 Y HA -0.048 4.502 4.550 -0.000 0.000 0.282 359 Y C 1.340 177.243 175.900 0.005 0.000 1.139 359 Y CA 0.819 58.945 58.100 0.044 0.000 1.123 359 Y CB 0.102 38.592 38.460 0.050 0.000 0.980 359 Y HN 0.106 nan 8.280 nan 0.000 0.493 360 c N 1.737 120.403 118.600 0.110 0.000 2.185 360 c HA 0.545 5.115 4.570 -0.000 0.000 0.357 360 c C -0.278 173.817 174.090 0.009 0.000 1.053 360 c CA -1.259 55.098 56.329 0.046 0.000 1.552 360 c CB -1.222 41.285 42.510 -0.006 0.000 1.679 360 c HN -0.046 nan 8.230 nan 0.000 0.453 361 V N 2.253 122.178 119.914 0.018 0.000 2.370 361 V HA 0.345 4.465 4.120 -0.000 0.000 0.283 361 V C 0.207 176.315 176.094 0.024 0.000 1.023 361 V CA -0.272 62.030 62.300 0.003 0.000 0.857 361 V CB 1.020 32.838 31.823 -0.008 0.000 0.985 361 V HN 0.852 nan 8.190 nan 0.000 0.443 362 c N 4.217 122.831 118.600 0.024 0.000 2.358 362 c HA 0.482 5.052 4.570 -0.000 0.000 0.342 362 c C 0.660 174.793 174.090 0.071 0.000 1.234 362 c CA -0.847 55.523 56.329 0.069 0.000 1.969 362 c CB 0.621 43.164 42.510 0.055 0.000 2.346 362 c HN 0.858 nan 8.230 nan 0.000 0.525 363 E N 1.523 121.798 120.200 0.127 0.000 2.374 363 E HA 0.190 4.540 4.350 -0.000 0.000 0.260 363 E C -0.218 176.463 176.600 0.135 0.000 1.101 363 E CA -0.353 56.093 56.400 0.077 0.000 0.907 363 E CB 0.460 30.167 29.700 0.011 0.000 1.014 363 E HN 0.504 nan 8.360 nan 0.000 0.427 364 M N 2.606 122.218 119.600 0.021 0.000 2.219 364 M HA 0.172 4.652 4.480 -0.000 0.000 0.353 364 M C -2.199 174.155 176.300 0.090 0.000 1.304 364 M CA -1.702 53.574 55.300 -0.040 0.000 1.115 364 M CB 0.004 32.455 32.600 -0.249 0.000 1.664 364 M HN 0.130 nan 8.290 nan 0.000 0.459 365 P HA 0.137 nan 4.420 nan 0.000 0.274 365 P C 0.108 177.547 177.300 0.231 0.000 1.237 365 P CA -0.311 62.979 63.100 0.317 0.000 0.793 365 P CB 0.671 32.497 31.700 0.209 0.000 0.977 366 c N -0.187 118.553 118.600 0.233 0.000 2.618 366 c HA 0.157 4.727 4.570 -0.000 0.000 0.264 366 c C 0.859 175.090 174.090 0.235 0.000 1.334 366 c CA 0.452 56.926 56.329 0.241 0.000 1.731 366 c CB -1.558 41.032 42.510 0.133 0.000 1.852 366 c HN 0.550 nan 8.230 nan 0.000 0.566 367 N N 0.485 119.310 118.700 0.209 0.000 2.480 367 N HA 0.471 5.211 4.740 -0.000 0.000 0.289 367 N C -1.734 173.855 175.510 0.132 0.000 1.073 367 N CA 0.179 53.305 53.050 0.127 0.000 0.885 367 N CB 1.709 40.249 38.487 0.088 0.000 1.421 367 N HN -0.024 nan 8.380 nan 0.000 0.503 368 V N 1.954 121.933 119.914 0.108 0.000 2.841 368 V HA 0.554 4.674 4.120 -0.000 0.000 0.310 368 V C -0.305 175.792 176.094 0.005 0.000 1.090 368 V CA -0.585 61.767 62.300 0.087 0.000 0.930 368 V CB 2.145 34.074 31.823 0.176 0.000 1.014 368 V HN 0.634 nan 8.190 nan 0.000 0.425 369 T N 4.750 119.289 114.554 -0.024 0.000 2.833 369 T HA 0.477 4.827 4.350 -0.000 0.000 0.297 369 T C -0.345 174.223 174.700 -0.219 0.000 1.015 369 T CA -0.419 61.596 62.100 -0.141 0.000 0.963 369 T CB 0.871 69.665 68.868 -0.122 0.000 0.955 369 T HN 0.670 nan 8.240 nan 0.000 0.449 370 R N 2.650 122.984 120.500 -0.277 0.000 2.532 370 R HA 0.491 4.831 4.340 -0.000 0.000 0.295 370 R C -1.469 174.600 176.300 -0.385 0.000 0.968 370 R CA -0.668 55.308 56.100 -0.206 0.000 0.916 370 R CB 0.878 31.126 30.300 -0.087 0.000 1.124 370 R HN 0.541 nan 8.270 nan 0.000 0.463 371 Y N 1.693 122.011 120.300 0.029 0.000 2.464 371 Y HA 0.339 4.889 4.550 -0.000 0.000 0.326 371 Y C 0.799 176.666 175.900 -0.055 0.000 0.969 371 Y CA -0.525 57.577 58.100 0.004 0.000 1.270 371 Y CB 1.976 40.430 38.460 -0.010 0.000 1.103 371 Y HN 0.801 nan 8.280 nan 0.000 0.491 372 G N 3.742 112.563 108.800 0.035 0.000 2.442 372 G HA2 0.481 4.441 3.960 -0.000 0.000 0.249 372 G HA3 0.481 4.441 3.960 -0.000 0.000 0.249 372 G C -0.723 174.125 174.900 -0.086 0.000 1.263 372 G CA -0.629 44.455 45.100 -0.026 0.000 0.846 372 G HN 0.596 nan 8.290 nan 0.000 0.555 373 K N 1.172 121.489 120.400 -0.139 0.000 2.502 373 K HA 0.538 4.858 4.320 -0.000 0.000 0.257 373 K C -1.324 175.146 176.600 -0.216 0.000 0.938 373 K CA -0.919 55.228 56.287 -0.233 0.000 0.819 373 K CB 2.779 35.073 32.500 -0.343 0.000 1.333 373 K HN 0.451 nan 8.250 nan 0.000 0.434 374 E N 2.516 122.582 120.200 -0.225 0.000 2.185 374 E HA 0.299 4.649 4.350 -0.000 0.000 0.261 374 E C -1.177 175.326 176.600 -0.161 0.000 0.879 374 E CA -0.940 55.363 56.400 -0.161 0.000 0.756 374 E CB 1.652 31.284 29.700 -0.112 0.000 1.152 374 E HN 0.271 nan 8.360 nan 0.000 0.416 375 L N 2.229 123.368 121.223 -0.140 0.000 2.334 375 L HA 0.513 4.853 4.340 -0.000 0.000 0.275 375 L C 0.061 176.925 176.870 -0.010 0.000 1.036 375 L CA -0.102 54.684 54.840 -0.090 0.000 0.807 375 L CB 1.645 43.621 42.059 -0.137 0.000 1.231 375 L HN 0.631 nan 8.230 nan 0.000 0.438 376 S N 2.177 117.926 115.700 0.081 0.000 2.625 376 S HA 0.945 5.415 4.470 -0.000 0.000 0.271 376 S C -0.904 173.822 174.600 0.211 0.000 1.161 376 S CA -0.962 57.307 58.200 0.114 0.000 0.820 376 S CB 1.946 65.216 63.200 0.117 0.000 1.137 376 S HN 0.619 nan 8.310 nan 0.000 0.470 377 M N 0.267 119.977 119.600 0.183 0.000 2.578 377 M HA 0.828 5.308 4.480 -0.000 0.000 0.276 377 M C -1.425 175.039 176.300 0.274 0.000 1.245 377 M CA -1.060 54.368 55.300 0.214 0.000 0.871 377 M CB 1.659 34.257 32.600 -0.003 0.000 1.722 377 M HN 0.984 nan 8.290 nan 0.000 0.473 378 V N -1.300 118.818 119.914 0.341 0.000 3.141 378 V HA 0.781 4.901 4.120 -0.000 0.000 0.312 378 V C -0.846 175.443 176.094 0.325 0.000 1.157 378 V CA -0.887 61.598 62.300 0.308 0.000 1.041 378 V CB 1.845 33.834 31.823 0.276 0.000 1.071 378 V HN 0.989 nan 8.190 nan 0.000 0.441 379 K N 1.294 121.800 120.400 0.177 0.000 2.218 379 K HA 0.708 5.028 4.320 -0.000 0.000 0.276 379 K C -0.954 175.601 176.600 -0.074 0.000 1.022 379 K CA -0.345 55.913 56.287 -0.048 0.000 0.946 379 K CB 1.017 33.463 32.500 -0.090 0.000 1.000 379 K HN 0.887 nan 8.250 nan 0.000 0.468 380 I N 5.512 125.977 120.570 -0.174 0.000 2.607 380 I HA 0.496 4.666 4.170 -0.000 0.000 0.290 380 I C -2.640 173.394 176.117 -0.138 0.000 1.129 380 I CA -2.383 58.855 61.300 -0.103 0.000 1.042 380 I CB 2.422 40.386 38.000 -0.061 0.000 1.242 380 I HN 0.654 nan 8.210 nan 0.000 0.421 381 P HA 0.298 nan 4.420 nan 0.000 0.283 381 P C -0.826 176.455 177.300 -0.031 0.000 1.271 381 P CA -0.349 62.735 63.100 -0.027 0.000 0.841 381 P CB 1.614 33.321 31.700 0.011 0.000 1.122 382 S N 0.630 116.324 115.700 -0.010 0.000 2.624 382 S HA 0.189 4.659 4.470 -0.000 0.000 0.263 382 S C 1.266 175.864 174.600 -0.004 0.000 1.287 382 S CA -0.432 57.762 58.200 -0.010 0.000 0.990 382 S CB 0.534 63.733 63.200 -0.001 0.000 0.950 382 S HN 0.356 nan 8.310 nan 0.000 0.561 383 K N 0.601 120.998 120.400 -0.005 0.000 2.147 383 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 383 K C 2.196 178.801 176.600 0.009 0.000 1.049 383 K CA 1.295 57.581 56.287 -0.000 0.000 0.936 383 K CB -0.595 31.904 32.500 -0.002 0.000 0.722 383 K HN 0.742 nan 8.250 nan 0.000 0.446 384 A N 0.952 123.776 122.820 0.006 0.000 2.119 384 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 384 A C 1.944 179.538 177.584 0.018 0.000 1.153 384 A CA 1.556 53.597 52.037 0.007 0.000 0.692 384 A CB -0.165 18.832 19.000 -0.005 0.000 0.799 384 A HN 0.339 nan 8.150 nan 0.000 0.458 385 S N -1.823 113.894 115.700 0.029 0.000 2.540 385 S HA 0.460 4.930 4.470 -0.000 0.000 0.222 385 S C 1.809 176.476 174.600 0.111 0.000 1.008 385 S CA 0.766 59.004 58.200 0.063 0.000 0.939 385 S CB -0.046 63.181 63.200 0.044 0.000 0.865 385 S HN 0.656 nan 8.310 nan 0.000 0.499 386 A N 3.033 125.895 122.820 0.071 0.000 1.892 386 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 386 A C 2.190 179.824 177.584 0.083 0.000 1.188 386 A CA 1.785 53.864 52.037 0.070 0.000 0.631 386 A CB -0.698 18.325 19.000 0.037 0.000 0.822 386 A HN 0.568 nan 8.150 nan 0.000 0.447 387 K N -1.932 118.514 120.400 0.077 0.000 2.057 387 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 387 K C 1.995 178.641 176.600 0.075 0.000 1.049 387 K CA 1.723 58.048 56.287 0.064 0.000 0.931 387 K CB -0.390 32.142 32.500 0.054 0.000 0.714 387 K HN 0.644 nan 8.250 nan 0.000 0.440 388 Y N 1.719 122.019 120.300 -0.000 0.000 2.145 388 Y HA -0.196 4.354 4.550 -0.000 0.000 0.286 388 Y C 1.790 177.683 175.900 -0.011 0.000 1.145 388 Y CA 1.396 59.489 58.100 -0.012 0.000 1.148 388 Y CB -0.160 38.294 38.460 -0.010 0.000 0.981 388 Y HN -0.071 nan 8.280 nan 0.000 0.507 389 L N -0.455 120.831 121.223 0.105 0.000 2.093 389 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 389 L C 2.785 179.689 176.870 0.056 0.000 1.085 389 L CA 0.962 55.860 54.840 0.097 0.000 0.755 389 L CB -0.942 41.259 42.059 0.237 0.000 0.904 389 L HN 0.329 nan 8.230 nan 0.000 0.435 390 A N 0.224 123.068 122.820 0.040 0.000 1.902 390 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 390 A C 2.396 179.950 177.584 -0.051 0.000 1.181 390 A CA 2.034 54.086 52.037 0.026 0.000 0.623 390 A CB -0.389 18.626 19.000 0.026 0.000 0.818 390 A HN 0.319 nan 8.150 nan 0.000 0.443 391 K N -0.221 120.109 120.400 -0.117 0.000 2.062 391 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 391 K C 2.182 178.619 176.600 -0.271 0.000 1.051 391 K CA 1.558 57.745 56.287 -0.167 0.000 0.941 391 K CB -0.178 32.224 32.500 -0.163 0.000 0.719 391 K HN 0.414 nan 8.250 nan 0.000 0.440 392 K N -0.389 119.734 120.400 -0.462 0.000 2.063 392 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 392 K C 0.934 177.136 176.600 -0.665 0.000 1.048 392 K CA 1.605 57.489 56.287 -0.672 0.000 0.928 392 K CB -0.029 31.858 32.500 -1.020 0.000 0.713 392 K HN 0.259 nan 8.250 nan 0.000 0.442 393 Y N 0.074 120.293 120.300 -0.135 0.000 2.524 393 Y HA 0.145 4.695 4.550 -0.000 0.000 0.266 393 Y C -0.004 175.829 175.900 -0.112 0.000 1.180 393 Y CA -0.332 57.709 58.100 -0.098 0.000 1.244 393 Y CB 0.273 38.694 38.460 -0.064 0.000 1.125 393 Y HN 0.195 nan 8.280 nan 0.000 0.524 394 N N 1.351 120.025 118.700 -0.044 0.000 2.696 394 N HA -0.231 4.509 4.740 -0.000 0.000 0.256 394 N C -1.242 174.211 175.510 -0.096 0.000 1.031 394 N CA 0.568 53.578 53.050 -0.066 0.000 0.730 394 N CB -0.719 37.731 38.487 -0.062 0.000 0.894 394 N HN 0.275 nan 8.380 nan 0.000 0.544 395 K N -0.499 119.848 120.400 -0.088 0.000 2.509 395 K HA 0.606 4.925 4.320 -0.000 0.000 0.266 395 K C -0.443 176.127 176.600 -0.050 0.000 0.987 395 K CA -0.315 55.872 56.287 -0.167 0.000 0.868 395 K CB 1.321 33.669 32.500 -0.254 0.000 1.421 395 K HN 0.267 nan 8.250 nan 0.000 0.444 396 S N -0.308 115.382 115.700 -0.015 0.000 2.603 396 S HA 0.165 4.635 4.470 -0.000 0.000 0.268 396 S C 0.643 175.293 174.600 0.084 0.000 1.317 396 S CA -0.285 57.939 58.200 0.039 0.000 1.012 396 S CB 0.946 64.178 63.200 0.054 0.000 0.926 396 S HN 0.599 nan 8.310 nan 0.000 0.539 397 E N 0.491 120.725 120.200 0.057 0.000 2.085 397 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 397 E C 2.111 178.745 176.600 0.057 0.000 0.994 397 E CA 1.437 57.869 56.400 0.054 0.000 0.801 397 E CB -0.186 29.533 29.700 0.032 0.000 0.743 397 E HN 0.855 nan 8.360 nan 0.000 0.453 398 Q N 0.095 119.927 119.800 0.054 0.000 2.084 398 Q HA -0.244 4.096 4.340 -0.000 0.000 0.202 398 Q C 2.042 178.067 176.000 0.042 0.000 0.978 398 Q CA 1.432 57.255 55.803 0.032 0.000 0.844 398 Q CB -0.204 28.551 28.738 0.028 0.000 0.898 398 Q HN 0.353 nan 8.270 nan 0.000 0.426 399 Y N 0.791 121.074 120.300 -0.030 0.000 2.181 399 Y HA -0.251 4.299 4.550 -0.000 0.000 0.288 399 Y C 1.903 177.776 175.900 -0.045 0.000 1.146 399 Y CA 1.489 59.567 58.100 -0.037 0.000 1.164 399 Y CB -0.133 38.313 38.460 -0.023 0.000 0.982 399 Y HN 0.166 nan 8.280 nan 0.000 0.515 400 I N 0.124 120.817 120.570 0.205 0.000 2.163 400 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 400 I C 2.652 178.745 176.117 -0.040 0.000 1.085 400 I CA 1.782 63.146 61.300 0.107 0.000 1.347 400 I CB -1.992 36.072 38.000 0.105 0.000 1.044 400 I HN 0.402 nan 8.210 nan 0.000 0.408 401 G N 0.155 108.922 108.800 -0.056 0.000 2.470 401 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.220 401 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.220 401 G C 1.502 176.305 174.900 -0.162 0.000 1.121 401 G CA 0.343 45.377 45.100 -0.111 0.000 0.766 401 G HN 0.496 nan 8.290 nan 0.000 0.553 402 E N -0.369 119.712 120.200 -0.199 0.000 2.476 402 E HA 0.097 4.447 4.350 -0.000 0.000 0.199 402 E C 1.257 177.665 176.600 -0.321 0.000 1.021 402 E CA -0.125 56.129 56.400 -0.244 0.000 0.907 402 E CB 0.307 29.856 29.700 -0.251 0.000 0.974 402 E HN 0.319 nan 8.360 nan 0.000 0.489 403 N N -0.082 118.395 118.700 -0.372 0.000 2.297 403 N HA 0.077 4.817 4.740 -0.000 0.000 0.208 403 N C 0.147 175.529 175.510 -0.214 0.000 1.176 403 N CA 0.085 52.907 53.050 -0.381 0.000 0.882 403 N CB 1.472 39.528 38.487 -0.719 0.000 1.134 403 N HN 0.009 nan 8.380 nan 0.000 0.489 404 I N 3.354 123.829 120.570 -0.159 0.000 2.472 404 I HA 0.318 4.488 4.170 -0.000 0.000 0.290 404 I C 0.503 176.553 176.117 -0.111 0.000 1.016 404 I CA -0.429 60.799 61.300 -0.120 0.000 1.348 404 I CB 0.885 38.834 38.000 -0.084 0.000 1.417 404 I HN -0.003 nan 8.210 nan 0.000 0.521 405 L N 4.903 126.059 121.223 -0.111 0.000 2.518 405 L HA 0.786 5.126 4.340 -0.000 0.000 0.257 405 L C -1.795 175.010 176.870 -0.108 0.000 0.980 405 L CA -0.702 54.086 54.840 -0.087 0.000 0.837 405 L CB 2.271 44.288 42.059 -0.070 0.000 1.410 405 L HN 0.214 nan 8.230 nan 0.000 0.410 406 V N 3.152 123.007 119.914 -0.097 0.000 2.604 406 V HA 0.578 4.698 4.120 -0.000 0.000 0.305 406 V C -0.709 175.299 176.094 -0.144 0.000 1.043 406 V CA -0.487 61.740 62.300 -0.121 0.000 0.888 406 V CB 1.999 33.751 31.823 -0.118 0.000 0.995 406 V HN 0.654 nan 8.190 nan 0.000 0.429 407 L N 3.909 125.053 121.223 -0.130 0.000 2.381 407 L HA 0.720 5.060 4.340 -0.000 0.000 0.274 407 L C -1.089 175.752 176.870 -0.049 0.000 0.988 407 L CA 0.126 54.909 54.840 -0.095 0.000 0.824 407 L CB 1.799 43.810 42.059 -0.079 0.000 1.263 407 L HN 0.651 nan 8.230 nan 0.000 0.410 408 D N 5.764 126.153 120.400 -0.019 0.000 2.344 408 D HA 0.560 5.200 4.640 -0.000 0.000 0.239 408 D C -0.719 175.772 176.300 0.319 0.000 1.064 408 D CA 0.169 54.255 54.000 0.145 0.000 0.829 408 D CB 1.699 42.591 40.800 0.153 0.000 1.129 408 D HN 0.412 nan 8.370 nan 0.000 0.506 409 I N 4.172 124.951 120.570 0.348 0.000 2.410 409 I HA 0.485 4.655 4.170 -0.000 0.000 0.286 409 I C -0.859 175.556 176.117 0.497 0.000 1.009 409 I CA -0.861 60.614 61.300 0.292 0.000 1.111 409 I CB 0.363 38.519 38.000 0.259 0.000 1.262 409 I HN 0.328 nan 8.210 nan 0.000 0.443 410 F N 4.208 124.239 119.950 0.135 0.000 2.923 410 F HA 0.709 5.236 4.527 -0.000 0.000 0.323 410 F C -1.849 173.940 175.800 -0.018 0.000 1.189 410 F CA -1.450 56.698 58.000 0.246 0.000 0.930 410 F CB 0.953 40.081 39.000 0.214 0.000 1.414 410 F HN 0.002 nan 8.300 nan 0.000 0.496 411 F N 0.678 120.809 119.950 0.301 0.000 2.538 411 F HA 0.497 5.024 4.527 -0.000 0.000 0.325 411 F C 0.249 176.184 175.800 0.226 0.000 1.066 411 F CA -0.916 57.167 58.000 0.139 0.000 0.946 411 F CB 1.898 41.002 39.000 0.173 0.000 1.199 411 F HN 0.691 nan 8.300 nan 0.000 0.473 412 E N 1.117 121.477 120.200 0.267 0.000 2.376 412 E HA 0.511 4.861 4.350 -0.000 0.000 0.254 412 E C 0.685 177.423 176.600 0.229 0.000 1.213 412 E CA -0.243 56.295 56.400 0.230 0.000 0.945 412 E CB 0.687 30.462 29.700 0.124 0.000 1.057 412 E HN 0.625 nan 8.360 nan 0.000 0.479 413 A N 1.201 124.120 122.820 0.164 0.000 1.865 413 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 413 A C 1.584 179.243 177.584 0.126 0.000 1.191 413 A CA 1.050 53.165 52.037 0.130 0.000 0.623 413 A CB -0.842 18.212 19.000 0.089 0.000 0.826 413 A HN 0.552 nan 8.150 nan 0.000 0.444 414 L N 1.655 122.947 121.223 0.114 0.000 2.384 414 L HA 0.069 4.409 4.340 -0.000 0.000 0.258 414 L C 0.749 177.711 176.870 0.153 0.000 1.266 414 L CA -0.298 54.608 54.840 0.110 0.000 1.162 414 L CB -0.337 41.767 42.059 0.075 0.000 1.375 414 L HN 0.587 nan 8.230 nan 0.000 0.420 415 N N 0.287 119.104 118.700 0.195 0.000 2.467 415 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 415 N C -0.254 175.439 175.510 0.306 0.000 1.106 415 N CA 0.305 53.524 53.050 0.281 0.000 0.892 415 N CB 0.110 38.728 38.487 0.218 0.000 0.969 415 N HN 0.359 nan 8.380 nan 0.000 0.454 416 Y N 0.452 120.788 120.300 0.060 0.000 2.331 416 Y HA 0.444 4.994 4.550 -0.000 0.000 0.326 416 Y C -1.294 174.611 175.900 0.008 0.000 1.020 416 Y CA -1.647 56.467 58.100 0.023 0.000 1.136 416 Y CB 1.298 39.754 38.460 -0.006 0.000 1.157 416 Y HN 0.080 nan 8.280 nan 0.000 0.444 417 E N 3.690 123.651 120.200 -0.398 0.000 2.199 417 E HA 0.579 4.929 4.350 -0.000 0.000 0.269 417 E C -1.330 174.916 176.600 -0.590 0.000 0.899 417 E CA -0.792 55.381 56.400 -0.377 0.000 0.772 417 E CB 1.392 30.981 29.700 -0.186 0.000 1.155 417 E HN 0.654 nan 8.360 nan 0.000 0.408 418 T N 1.898 116.185 114.554 -0.445 0.000 2.824 418 T HA 0.607 4.957 4.350 -0.000 0.000 0.282 418 T C -0.117 174.450 174.700 -0.221 0.000 0.993 418 T CA -0.749 61.129 62.100 -0.370 0.000 0.967 418 T CB 0.604 69.293 68.868 -0.298 0.000 0.960 418 T HN 0.367 nan 8.240 nan 0.000 0.441 419 I N 2.494 122.937 120.570 -0.211 0.000 2.493 419 I HA 0.388 4.558 4.170 -0.000 0.000 0.279 419 I C -0.296 175.688 176.117 -0.220 0.000 1.045 419 I CA -0.541 60.655 61.300 -0.174 0.000 1.106 419 I CB 1.539 39.448 38.000 -0.153 0.000 1.216 419 I HN 0.775 nan 8.210 nan 0.000 0.459 420 E N 6.638 126.738 120.200 -0.166 0.000 2.210 420 E HA 0.373 4.723 4.350 -0.000 0.000 0.266 420 E C -1.057 175.479 176.600 -0.106 0.000 0.883 420 E CA -0.661 55.634 56.400 -0.175 0.000 0.761 420 E CB 1.538 31.159 29.700 -0.133 0.000 1.156 420 E HN 0.480 nan 8.360 nan 0.000 0.412 421 Q N 3.489 123.220 119.800 -0.116 0.000 2.296 421 Q HA 0.241 4.581 4.340 -0.000 0.000 0.262 421 Q C -0.514 175.466 176.000 -0.033 0.000 0.981 421 Q CA -0.137 55.664 55.803 -0.004 0.000 0.905 421 Q CB 1.158 29.878 28.738 -0.029 0.000 1.186 421 Q HN 0.227 nan 8.270 nan 0.000 0.399 422 K N 2.235 122.640 120.400 0.009 0.000 2.328 422 K HA 0.378 4.698 4.320 -0.000 0.000 0.246 422 K C -0.660 175.910 176.600 -0.050 0.000 0.955 422 K CA -0.912 55.341 56.287 -0.057 0.000 0.817 422 K CB 1.842 34.319 32.500 -0.038 0.000 1.208 422 K HN 0.385 nan 8.250 nan 0.000 0.432 423 K N 1.023 121.313 120.400 -0.183 0.000 2.416 423 K HA 0.090 4.410 4.320 -0.000 0.000 0.283 423 K C 0.844 177.462 176.600 0.029 0.000 1.037 423 K CA -0.024 56.156 56.287 -0.179 0.000 0.995 423 K CB 0.694 32.965 32.500 -0.381 0.000 0.938 423 K HN 0.680 nan 8.250 nan 0.000 0.475 424 A N 3.586 126.486 122.820 0.134 0.000 1.975 424 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 424 A C -0.029 177.724 177.584 0.281 0.000 1.170 424 A CA 1.032 53.164 52.037 0.159 0.000 0.656 424 A CB 0.121 19.198 19.000 0.128 0.000 0.821 424 A HN 0.682 nan 8.150 nan 0.000 0.449 425 Y N 1.063 121.416 120.300 0.087 0.000 2.475 425 Y HA 0.414 4.964 4.550 -0.000 0.000 0.343 425 Y C -0.537 175.483 175.900 0.200 0.000 1.068 425 Y CA -1.558 56.617 58.100 0.124 0.000 1.307 425 Y CB 0.485 38.997 38.460 0.086 0.000 1.097 425 Y HN 0.308 nan 8.280 nan 0.000 0.530 426 E N 2.406 122.667 120.200 0.102 0.000 2.280 426 E HA 0.262 4.612 4.350 -0.000 0.000 0.264 426 E C 0.827 177.435 176.600 0.014 0.000 1.064 426 E CA -0.474 56.023 56.400 0.160 0.000 0.900 426 E CB 1.724 31.482 29.700 0.097 0.000 1.123 426 E HN 0.425 nan 8.360 nan 0.000 0.418 427 V N 1.496 121.453 119.914 0.071 0.000 2.250 427 V HA -0.375 3.745 4.120 -0.000 0.000 0.253 427 V C 2.100 178.057 176.094 -0.228 0.000 1.065 427 V CA 2.553 64.719 62.300 -0.223 0.000 1.039 427 V CB -0.986 30.759 31.823 -0.131 0.000 0.647 427 V HN 0.878 nan 8.190 nan 0.000 0.446 428 A N 0.436 123.184 122.820 -0.121 0.000 1.948 428 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 428 A C 2.400 179.907 177.584 -0.127 0.000 1.177 428 A CA 2.195 54.172 52.037 -0.100 0.000 0.636 428 A CB -1.226 17.744 19.000 -0.049 0.000 0.815 428 A HN 0.595 nan 8.150 nan 0.000 0.449 429 G N -0.493 108.202 108.800 -0.174 0.000 2.394 429 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.215 429 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.215 429 G C 1.461 176.179 174.900 -0.302 0.000 1.165 429 G CA 1.067 46.061 45.100 -0.178 0.000 0.784 429 G HN 0.484 nan 8.290 nan 0.000 0.535 430 L N 0.719 121.579 121.223 -0.606 0.000 2.017 430 L HA 0.074 4.414 4.340 -0.000 0.000 0.208 430 L C 2.679 179.431 176.870 -0.196 0.000 1.073 430 L CA 1.468 56.017 54.840 -0.485 0.000 0.745 430 L CB -0.536 41.143 42.059 -0.632 0.000 0.894 430 L HN 0.200 nan 8.230 nan 0.000 0.432 431 L N -0.749 120.352 121.223 -0.203 0.000 2.131 431 L HA -0.098 4.241 4.340 -0.000 0.000 0.210 431 L C 2.454 179.285 176.870 -0.064 0.000 1.092 431 L CA 1.061 55.829 54.840 -0.120 0.000 0.759 431 L CB -1.389 40.601 42.059 -0.115 0.000 0.903 431 L HN 0.485 nan 8.230 nan 0.000 0.435 432 G N -0.803 107.963 108.800 -0.056 0.000 2.484 432 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 432 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 432 G C 1.160 176.068 174.900 0.014 0.000 1.130 432 G CA 0.478 45.569 45.100 -0.015 0.000 0.784 432 G HN 0.289 nan 8.290 nan 0.000 0.543 433 D N 0.302 120.723 120.400 0.035 0.000 2.269 433 D HA 0.029 4.669 4.640 -0.000 0.000 0.220 433 D C 2.285 178.609 176.300 0.040 0.000 0.962 433 D CA 0.672 54.714 54.000 0.069 0.000 0.884 433 D CB 0.150 41.050 40.800 0.166 0.000 1.023 433 D HN 0.552 nan 8.370 nan 0.000 0.484 434 I N -2.626 117.958 120.570 0.024 0.000 3.936 434 I HA 0.441 4.611 4.170 -0.000 0.000 0.330 434 I C 1.645 177.755 176.117 -0.011 0.000 1.509 434 I CA -0.257 61.047 61.300 0.007 0.000 1.126 434 I CB 0.605 38.608 38.000 0.005 0.000 1.115 434 I HN -0.228 nan 8.210 nan 0.000 0.424 435 G N 1.876 110.665 108.800 -0.018 0.000 2.442 435 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.219 435 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.219 435 G C 1.441 176.338 174.900 -0.005 0.000 1.141 435 G CA 1.028 46.115 45.100 -0.021 0.000 0.763 435 G HN 0.532 nan 8.290 nan 0.000 0.554 436 G N -0.228 108.573 108.800 0.002 0.000 2.430 436 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.216 436 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.216 436 G C 1.831 176.744 174.900 0.021 0.000 1.146 436 G CA 1.012 46.118 45.100 0.009 0.000 0.793 436 G HN 0.417 nan 8.290 nan 0.000 0.537 437 Q N 0.266 120.079 119.800 0.021 0.000 2.046 437 Q HA 0.019 4.359 4.340 -0.000 0.000 0.200 437 Q C 2.659 178.701 176.000 0.069 0.000 0.975 437 Q CA 1.519 57.345 55.803 0.038 0.000 0.836 437 Q CB -0.453 28.299 28.738 0.022 0.000 0.896 437 Q HN 0.729 nan 8.270 nan 0.000 0.428 438 M N -2.158 117.462 119.600 0.033 0.000 2.630 438 M HA 0.208 4.688 4.480 -0.000 0.000 0.254 438 M C 1.545 177.905 176.300 0.101 0.000 1.092 438 M CA 1.569 56.894 55.300 0.042 0.000 1.087 438 M CB -0.134 32.445 32.600 -0.035 0.000 1.453 438 M HN 0.104 nan 8.290 nan 0.000 0.509 439 G N 1.694 110.536 108.800 0.070 0.000 2.411 439 G HA2 0.061 4.021 3.960 -0.000 0.000 0.213 439 G HA3 0.061 4.021 3.960 -0.000 0.000 0.213 439 G C 1.510 176.452 174.900 0.071 0.000 1.166 439 G CA 0.147 45.282 45.100 0.059 0.000 0.802 439 G HN 0.424 nan 8.290 nan 0.000 0.533 440 L N -0.530 120.736 121.223 0.071 0.000 2.156 440 L HA 0.096 4.436 4.340 -0.000 0.000 0.208 440 L C 2.529 179.440 176.870 0.068 0.000 1.095 440 L CA 0.642 55.510 54.840 0.047 0.000 0.770 440 L CB -0.431 41.646 42.059 0.030 0.000 0.914 440 L HN 0.217 nan 8.230 nan 0.000 0.439 441 F N 1.085 121.025 119.950 -0.017 0.000 2.161 441 F HA -0.229 4.298 4.527 -0.000 0.000 0.300 441 F C 2.241 178.039 175.800 -0.003 0.000 1.089 441 F CA 1.468 59.461 58.000 -0.011 0.000 1.282 441 F CB -0.068 38.930 39.000 -0.004 0.000 1.010 441 F HN -0.103 nan 8.300 nan 0.000 0.485 442 I N -0.080 120.604 120.570 0.190 0.000 2.163 442 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 442 I C 2.799 178.904 176.117 -0.019 0.000 1.081 442 I CA 1.421 62.778 61.300 0.094 0.000 1.353 442 I CB -1.406 36.657 38.000 0.106 0.000 1.054 442 I HN 0.274 nan 8.210 nan 0.000 0.407 443 G N 0.568 109.361 108.800 -0.012 0.000 2.440 443 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 443 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 443 G C 1.849 176.708 174.900 -0.069 0.000 1.154 443 G CA 0.901 45.983 45.100 -0.031 0.000 0.767 443 G HN 0.500 nan 8.290 nan 0.000 0.552 444 A N 0.556 123.303 122.820 -0.122 0.000 1.933 444 A HA 0.038 4.358 4.320 -0.000 0.000 0.218 444 A C 2.708 180.192 177.584 -0.166 0.000 1.175 444 A CA 2.227 54.161 52.037 -0.171 0.000 0.628 444 A CB -0.514 18.343 19.000 -0.238 0.000 0.814 444 A HN 0.320 nan 8.150 nan 0.000 0.444 445 S N -0.170 115.378 115.700 -0.254 0.000 2.355 445 S HA -0.081 4.389 4.470 -0.000 0.000 0.222 445 S C 1.827 176.385 174.600 -0.069 0.000 1.031 445 S CA 1.398 59.470 58.200 -0.212 0.000 0.993 445 S CB -0.454 62.590 63.200 -0.261 0.000 0.859 445 S HN 0.552 nan 8.310 nan 0.000 0.453 446 I N 1.049 121.589 120.570 -0.048 0.000 2.179 446 I HA -0.175 3.995 4.170 -0.000 0.000 0.242 446 I C 2.284 178.410 176.117 0.016 0.000 1.088 446 I CA 0.893 62.183 61.300 -0.017 0.000 1.357 446 I CB -0.330 37.661 38.000 -0.015 0.000 1.051 446 I HN 0.228 nan 8.210 nan 0.000 0.409 447 L N 0.378 121.619 121.223 0.029 0.000 2.191 447 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 447 L C 2.365 179.355 176.870 0.199 0.000 1.103 447 L CA 1.977 56.873 54.840 0.093 0.000 0.769 447 L CB -0.712 41.381 42.059 0.056 0.000 0.908 447 L HN 0.164 nan 8.230 nan 0.000 0.438 448 T N -1.743 112.917 114.554 0.177 0.000 2.809 448 T HA -0.089 4.261 4.350 -0.000 0.000 0.260 448 T C 1.900 176.651 174.700 0.085 0.000 1.039 448 T CA 1.432 63.662 62.100 0.215 0.000 1.141 448 T CB -0.194 68.776 68.868 0.171 0.000 0.869 448 T HN 0.149 nan 8.240 nan 0.000 0.437 449 V N 1.644 121.590 119.914 0.053 0.000 2.490 449 V HA -0.054 4.066 4.120 -0.000 0.000 0.250 449 V C 2.261 178.400 176.094 0.076 0.000 1.061 449 V CA 1.088 63.414 62.300 0.042 0.000 1.064 449 V CB -0.546 31.276 31.823 -0.002 0.000 0.670 449 V HN 0.316 nan 8.190 nan 0.000 0.461 450 L N -0.115 121.149 121.223 0.069 0.000 2.552 450 L HA 0.034 4.374 4.340 -0.000 0.000 0.227 450 L C 1.919 178.902 176.870 0.188 0.000 1.146 450 L CA 1.547 56.447 54.840 0.099 0.000 0.858 450 L CB -0.243 41.854 42.059 0.063 0.000 0.969 450 L HN 0.386 nan 8.230 nan 0.000 0.451 451 E N -0.062 120.233 120.200 0.157 0.000 2.075 451 E HA -0.065 4.285 4.350 -0.000 0.000 0.193 451 E C 2.008 178.675 176.600 0.111 0.000 0.950 451 E CA 1.311 57.784 56.400 0.122 0.000 0.859 451 E CB -0.506 29.198 29.700 0.005 0.000 0.846 451 E HN 0.402 nan 8.360 nan 0.000 0.467 452 L N -0.211 121.032 121.223 0.033 0.000 2.447 452 L HA 0.016 4.356 4.340 -0.000 0.000 0.225 452 L C 2.087 179.092 176.870 0.225 0.000 1.148 452 L CA 1.045 55.907 54.840 0.037 0.000 0.808 452 L CB -0.527 41.476 42.059 -0.094 0.000 0.928 452 L HN 0.109 nan 8.230 nan 0.000 0.448 453 F N 2.274 122.273 119.950 0.082 0.000 2.060 453 F HA -0.129 4.398 4.527 -0.000 0.000 0.295 453 F C 1.807 177.674 175.800 0.113 0.000 1.120 453 F CA 1.933 59.987 58.000 0.090 0.000 1.205 453 F CB -0.372 38.664 39.000 0.061 0.000 0.986 453 F HN 0.128 nan 8.300 nan 0.000 0.470 454 D N -1.444 119.031 120.400 0.126 0.000 2.309 454 D HA -0.216 4.424 4.640 -0.000 0.000 0.212 454 D C 1.736 178.048 176.300 0.019 0.000 0.968 454 D CA 1.129 55.134 54.000 0.008 0.000 0.882 454 D CB -0.475 40.376 40.800 0.085 0.000 0.918 454 D HN 0.506 nan 8.370 nan 0.000 0.503 455 Y N 0.960 121.230 120.300 -0.048 0.000 2.373 455 Y HA 0.022 4.572 4.550 -0.000 0.000 0.293 455 Y C 2.078 177.960 175.900 -0.029 0.000 1.129 455 Y CA 0.823 58.897 58.100 -0.044 0.000 1.226 455 Y CB -0.199 38.227 38.460 -0.057 0.000 1.000 455 Y HN -0.049 nan 8.280 nan 0.000 0.549 456 A N -0.008 122.802 122.820 -0.017 0.000 2.131 456 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 456 A C 1.973 179.435 177.584 -0.203 0.000 1.158 456 A CA 1.444 53.405 52.037 -0.127 0.000 0.665 456 A CB -1.659 17.223 19.000 -0.197 0.000 0.795 456 A HN 0.799 nan 8.150 nan 0.000 0.460 457 Y N 0.890 121.007 120.300 -0.306 0.000 2.298 457 Y HA -0.252 4.298 4.550 -0.000 0.000 0.287 457 Y C 2.113 177.849 175.900 -0.274 0.000 1.164 457 Y CA 1.988 59.934 58.100 -0.256 0.000 1.229 457 Y CB -0.092 38.242 38.460 -0.211 0.000 0.977 457 Y HN 0.490 nan 8.280 nan 0.000 0.538 458 E N 0.138 120.177 120.200 -0.269 0.000 2.267 458 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 458 E C 2.055 178.472 176.600 -0.306 0.000 0.998 458 E CA 1.297 57.497 56.400 -0.332 0.000 0.830 458 E CB -0.163 29.203 29.700 -0.556 0.000 0.751 458 E HN 0.482 nan 8.360 nan 0.000 0.491 459 V N 1.474 121.218 119.914 -0.284 0.000 2.332 459 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 459 V C 2.535 178.488 176.094 -0.235 0.000 1.055 459 V CA 1.686 63.858 62.300 -0.212 0.000 1.038 459 V CB -0.497 31.224 31.823 -0.170 0.000 0.651 459 V HN 0.272 nan 8.190 nan 0.000 0.450 460 I N -0.678 119.686 120.570 -0.343 0.000 2.068 460 I HA -0.267 3.903 4.170 -0.000 0.000 0.238 460 I C 1.610 177.573 176.117 -0.257 0.000 1.046 460 I CA 1.569 62.667 61.300 -0.336 0.000 1.306 460 I CB -0.446 37.235 38.000 -0.532 0.000 1.023 460 I HN 0.305 nan 8.210 nan 0.000 0.399 461 K N 0.000 120.231 120.400 -0.281 0.000 2.780 461 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 461 K CA 0.000 56.181 56.287 -0.177 0.000 0.838 461 K CB 0.000 32.410 32.500 -0.150 0.000 1.064 461 K HN 0.000 nan 8.250 nan 0.000 0.543