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 2hx2_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPXXXXXXXX DATA SEQUENCE XXXXXAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.966 3.960 0.011 0.000 0.244 67 G C 0.000 174.837 174.900 -0.105 0.000 0.946 67 G CA 0.000 45.074 45.100 -0.043 0.000 0.502 68 P HA 0.272 nan 4.420 nan 0.000 0.265 68 P C -0.341 176.929 177.300 -0.051 0.000 1.187 68 P CA 0.171 63.142 63.100 -0.215 0.000 0.766 68 P CB 0.494 31.834 31.700 -0.600 0.000 0.820 69 K N 2.857 123.187 120.400 -0.117 0.000 3.192 69 K HA 0.237 4.563 4.320 0.011 0.000 0.269 69 K C -0.569 175.688 176.600 -0.572 0.000 1.270 69 K CA 0.084 56.198 56.287 -0.287 0.000 1.249 69 K CB -0.427 31.864 32.500 -0.350 0.000 1.528 69 K HN 0.388 nan 8.250 nan 0.000 0.360 70 F N 0.408 120.387 119.950 0.048 0.000 2.629 70 F HA 0.320 4.853 4.527 0.011 0.000 0.316 70 F C -2.111 173.791 175.800 0.170 0.000 1.081 70 F CA -2.804 55.246 58.000 0.083 0.000 0.954 70 F CB 1.192 40.242 39.000 0.084 0.000 1.337 70 F HN 0.009 nan 8.300 nan 0.000 0.474 71 P HA 0.062 nan 4.420 nan 0.000 0.268 71 P C -0.863 176.530 177.300 0.156 0.000 1.204 71 P CA -0.163 63.050 63.100 0.189 0.000 0.768 71 P CB 0.778 32.554 31.700 0.127 0.000 0.842 72 R N 2.496 123.015 120.500 0.033 0.000 2.254 72 R HA 0.401 4.748 4.340 0.011 0.000 0.318 72 R C -1.022 175.163 176.300 -0.191 0.000 1.031 72 R CA -0.562 55.354 56.100 -0.307 0.000 0.905 72 R CB 0.548 30.708 30.300 -0.233 0.000 1.050 72 R HN 0.253 nan 8.270 nan 0.000 0.456 73 V N 5.219 124.985 119.914 -0.247 0.000 2.409 73 V HA 0.340 4.467 4.120 0.011 0.000 0.291 73 V C -0.260 175.756 176.094 -0.131 0.000 1.020 73 V CA -0.743 61.495 62.300 -0.103 0.000 0.848 73 V CB 1.448 33.248 31.823 -0.038 0.000 0.990 73 V HN 0.712 nan 8.190 nan 0.000 0.430 74 K N 3.883 124.233 120.400 -0.083 0.000 2.207 74 K HA 0.434 4.760 4.320 0.011 0.000 0.255 74 K C -0.572 175.975 176.600 -0.089 0.000 0.941 74 K CA -0.696 55.476 56.287 -0.190 0.000 0.825 74 K CB 1.454 33.699 32.500 -0.425 0.000 1.119 74 K HN 0.718 nan 8.250 nan 0.000 0.430 75 N N 4.005 122.635 118.700 -0.117 0.000 2.444 75 N HA 0.096 4.842 4.740 0.011 0.000 0.262 75 N C -0.288 175.209 175.510 -0.022 0.000 0.974 75 N CA -0.351 52.733 53.050 0.055 0.000 0.933 75 N CB 0.513 39.041 38.487 0.068 0.000 1.137 75 N HN 0.675 nan 8.380 nan 0.000 0.498 76 W N 2.168 123.546 121.300 0.130 0.000 2.800 76 W HA 0.118 4.784 4.660 0.011 0.000 0.249 76 W C 2.077 178.641 176.519 0.075 0.000 1.294 76 W CA -0.044 57.369 57.345 0.112 0.000 1.402 76 W CB 0.274 29.826 29.460 0.153 0.000 1.126 76 W HN 0.667 nan 8.180 nan 0.000 0.652 77 E N 0.439 120.779 120.200 0.234 0.000 2.086 77 E HA -0.111 4.245 4.350 0.011 0.000 0.190 77 E C 1.721 178.346 176.600 0.041 0.000 0.975 77 E CA 1.008 57.444 56.400 0.059 0.000 0.813 77 E CB -0.208 29.492 29.700 -0.001 0.000 0.768 77 E HN 0.251 nan 8.360 nan 0.000 0.457 78 L N -0.842 120.406 121.223 0.041 0.000 2.554 78 L HA 0.304 4.651 4.340 0.011 0.000 0.225 78 L C 1.510 178.360 176.870 -0.033 0.000 1.104 78 L CA 0.397 55.241 54.840 0.006 0.000 0.866 78 L CB 0.475 42.542 42.059 0.012 0.000 1.047 78 L HN 0.393 nan 8.230 nan 0.000 0.468 79 G N 0.681 109.436 108.800 -0.076 0.000 2.155 79 G HA2 -0.312 3.654 3.960 0.011 0.000 0.257 79 G HA3 -0.312 3.654 3.960 0.011 0.000 0.257 79 G C 0.371 175.177 174.900 -0.157 0.000 0.983 79 G CA 0.479 45.486 45.100 -0.155 0.000 0.676 79 G HN 0.472 nan 8.290 nan 0.000 0.528 80 S N -0.114 115.516 115.700 -0.117 0.000 2.601 80 S HA 0.810 5.286 4.470 0.011 0.000 0.271 80 S C 0.076 174.594 174.600 -0.136 0.000 1.305 80 S CA -0.754 57.387 58.200 -0.099 0.000 1.022 80 S CB 2.186 65.353 63.200 -0.054 0.000 0.940 80 S HN 0.454 nan 8.310 nan 0.000 0.525 81 I N 2.036 122.531 120.570 -0.125 0.000 2.608 81 I HA 0.567 4.744 4.170 0.011 0.000 0.295 81 I C 0.234 176.259 176.117 -0.154 0.000 1.049 81 I CA -0.283 60.911 61.300 -0.177 0.000 1.063 81 I CB 1.781 39.662 38.000 -0.198 0.000 1.248 81 I HN 1.055 nan 8.210 nan 0.000 0.424 82 T N 1.658 116.078 114.554 -0.223 0.000 2.841 82 T HA 0.715 5.071 4.350 0.011 0.000 0.296 82 T C -1.371 173.132 174.700 -0.328 0.000 1.166 82 T CA -0.691 61.322 62.100 -0.145 0.000 1.007 82 T CB 2.051 70.881 68.868 -0.063 0.000 1.253 82 T HN 0.273 nan 8.240 nan 0.000 0.511 83 Y N 0.019 120.308 120.300 -0.019 0.000 2.425 83 Y HA 0.505 5.061 4.550 0.011 0.000 0.344 83 Y C -0.153 175.721 175.900 -0.043 0.000 0.969 83 Y CA -0.959 57.141 58.100 0.000 0.000 1.052 83 Y CB 1.866 40.332 38.460 0.010 0.000 1.215 83 Y HN 0.728 nan 8.280 nan 0.000 0.451 84 D N 1.761 122.234 120.400 0.123 0.000 2.347 84 D HA 0.108 4.754 4.640 0.011 0.000 0.235 84 D C 0.596 176.872 176.300 -0.040 0.000 1.149 84 D CA 0.093 54.121 54.000 0.047 0.000 0.850 84 D CB 1.346 42.207 40.800 0.101 0.000 1.061 84 D HN 0.808 nan 8.370 nan 0.000 0.487 85 T N 1.100 115.505 114.554 -0.247 0.000 3.014 85 T HA -0.046 4.311 4.350 0.011 0.000 0.250 85 T C 1.852 176.427 174.700 -0.208 0.000 1.060 85 T CA -0.241 61.548 62.100 -0.517 0.000 1.040 85 T CB 0.105 68.457 68.868 -0.860 0.000 0.971 85 T HN 0.258 nan 8.240 nan 0.000 0.497 86 L N 2.560 123.703 121.223 -0.134 0.000 2.131 86 L HA 0.030 4.377 4.340 0.011 0.000 0.210 86 L C 2.617 179.364 176.870 -0.206 0.000 1.092 86 L CA 1.313 56.107 54.840 -0.077 0.000 0.759 86 L CB -0.976 41.113 42.059 0.050 0.000 0.903 86 L HN 0.661 nan 8.230 nan 0.000 0.435 87 C N -1.454 117.537 119.300 -0.515 0.000 2.409 87 C HA 0.026 4.493 4.460 0.011 0.000 0.284 87 C C 2.785 177.562 174.990 -0.355 0.000 1.354 87 C CA 0.182 58.606 59.018 -0.989 0.000 1.787 87 C CB -2.261 24.862 27.740 -1.029 0.000 1.900 87 C HN 0.587 nan 8.230 nan 0.000 0.520 88 A N 0.168 122.921 122.820 -0.112 0.000 2.070 88 A HA -0.096 4.230 4.320 0.011 0.000 0.220 88 A C 2.243 179.821 177.584 -0.010 0.000 1.159 88 A CA 1.455 53.496 52.037 0.006 0.000 0.656 88 A CB -0.430 18.661 19.000 0.152 0.000 0.800 88 A HN 0.685 nan 8.150 nan 0.000 0.453 89 Q N 0.142 119.927 119.800 -0.026 0.000 2.451 89 Q HA 0.074 4.421 4.340 0.011 0.000 0.206 89 Q C 0.802 176.821 176.000 0.033 0.000 0.947 89 Q CA 0.344 56.156 55.803 0.014 0.000 0.937 89 Q CB -0.466 28.289 28.738 0.029 0.000 1.025 89 Q HN 0.507 nan 8.270 nan 0.000 0.511 90 S N 0.789 116.497 115.700 0.014 0.000 2.533 90 S HA 0.044 4.520 4.470 0.011 0.000 0.282 90 S C 0.650 175.279 174.600 0.049 0.000 1.304 90 S CA 0.086 58.326 58.200 0.066 0.000 1.063 90 S CB 0.502 63.754 63.200 0.087 0.000 0.881 90 S HN 0.228 nan 8.310 nan 0.000 0.493 91 Q N 2.459 122.293 119.800 0.058 0.000 2.139 91 Q HA 0.238 4.585 4.340 0.011 0.000 0.219 91 Q C -0.606 175.419 176.000 0.041 0.000 0.805 91 Q CA 0.018 55.847 55.803 0.045 0.000 1.024 91 Q CB 0.809 29.576 28.738 0.048 0.000 1.163 91 Q HN 0.687 nan 8.270 nan 0.000 0.485 92 Q N 0.619 120.448 119.800 0.047 0.000 2.323 92 Q HA 0.259 4.605 4.340 0.011 0.000 0.271 92 Q C -1.469 174.558 176.000 0.045 0.000 1.048 92 Q CA -0.738 55.088 55.803 0.039 0.000 0.792 92 Q CB 2.017 30.774 28.738 0.032 0.000 1.280 92 Q HN 0.019 nan 8.270 nan 0.000 0.441 93 D N 1.411 121.832 120.400 0.035 0.000 2.345 93 D HA 0.281 4.928 4.640 0.011 0.000 0.247 93 D C 0.354 176.676 176.300 0.037 0.000 1.108 93 D CA 0.271 54.293 54.000 0.037 0.000 0.894 93 D CB 1.234 42.050 40.800 0.028 0.000 1.203 93 D HN 0.631 nan 8.370 nan 0.000 0.430 94 G N 1.038 109.865 108.800 0.045 0.000 2.543 94 G HA2 0.334 4.301 3.960 0.011 0.000 0.267 94 G HA3 0.334 4.301 3.960 0.011 0.000 0.267 94 G C -1.432 173.489 174.900 0.035 0.000 1.406 94 G CA -0.596 44.529 45.100 0.041 0.000 1.048 94 G HN 0.381 nan 8.290 nan 0.000 0.548 95 P HA 0.181 nan 4.420 nan 0.000 0.251 95 P C 0.165 177.484 177.300 0.032 0.000 1.223 95 P CA -0.040 63.080 63.100 0.033 0.000 0.796 95 P CB 0.161 31.883 31.700 0.036 0.000 1.068 96 C N 0.756 120.077 119.300 0.035 0.000 2.443 96 C HA 0.657 5.123 4.460 0.011 0.000 0.369 96 C C 0.972 175.978 174.990 0.026 0.000 1.241 96 C CA 0.085 59.122 59.018 0.031 0.000 2.413 96 C CB 1.099 28.861 27.740 0.036 0.000 2.451 96 C HN 0.383 nan 8.230 nan 0.000 0.595 97 T N -1.700 112.867 114.554 0.021 0.000 2.841 97 T HA 0.422 4.778 4.350 0.011 0.000 0.296 97 T C -2.503 172.205 174.700 0.013 0.000 1.166 97 T CA -1.105 61.005 62.100 0.016 0.000 1.007 97 T CB 1.291 70.167 68.868 0.013 0.000 1.253 97 T HN 0.262 nan 8.240 nan 0.000 0.511 98 P HA 0.016 nan 4.420 nan 0.000 0.219 98 P C 1.511 178.815 177.300 0.006 0.000 1.146 98 P CA 0.614 63.718 63.100 0.008 0.000 0.808 98 P CB 0.124 31.827 31.700 0.005 0.000 0.779 99 R N -0.068 120.436 120.500 0.006 0.000 2.073 99 R HA -0.032 4.314 4.340 0.011 0.000 0.229 99 R C 0.768 177.071 176.300 0.005 0.000 1.120 99 R CA 1.115 57.218 56.100 0.005 0.000 0.967 99 R CB 0.062 30.366 30.300 0.005 0.000 0.862 99 R HN 0.061 nan 8.270 nan 0.000 0.436 100 R N -0.776 119.729 120.500 0.008 0.000 2.604 100 R HA 0.215 4.561 4.340 0.011 0.000 0.270 100 R C -1.750 174.557 176.300 0.012 0.000 1.052 100 R CA -0.756 55.349 56.100 0.008 0.000 0.902 100 R CB -0.069 30.236 30.300 0.009 0.000 1.233 100 R HN 0.095 nan 8.270 nan 0.000 0.455 101 C N 4.125 123.432 119.300 0.011 0.000 2.347 101 C HA 0.556 5.022 4.460 0.011 0.000 0.353 101 C C 0.792 175.796 174.990 0.023 0.000 1.273 101 C CA -0.661 58.366 59.018 0.016 0.000 1.861 101 C CB -0.805 26.939 27.740 0.008 0.000 2.420 101 C HN 0.776 nan 8.230 nan 0.000 0.542 102 L N 5.820 127.062 121.223 0.032 0.000 3.110 102 L HA 0.280 4.627 4.340 0.011 0.000 0.266 102 L C 2.042 178.946 176.870 0.055 0.000 1.257 102 L CA 0.214 55.079 54.840 0.040 0.000 1.038 102 L CB -0.132 41.950 42.059 0.038 0.000 1.395 102 L HN 1.032 nan 8.230 nan 0.000 0.566 103 G N 0.328 109.162 108.800 0.056 0.000 2.470 103 G HA2 -0.260 3.707 3.960 0.011 0.000 0.220 103 G HA3 -0.260 3.707 3.960 0.011 0.000 0.220 103 G C 1.518 176.486 174.900 0.113 0.000 1.121 103 G CA 1.148 46.294 45.100 0.077 0.000 0.766 103 G HN 0.509 nan 8.290 nan 0.000 0.553 104 S N -0.718 115.046 115.700 0.106 0.000 2.575 104 S HA 0.380 4.856 4.470 0.011 0.000 0.215 104 S C 0.478 175.166 174.600 0.147 0.000 0.966 104 S CA -0.528 57.755 58.200 0.139 0.000 0.911 104 S CB 0.027 63.289 63.200 0.103 0.000 0.780 104 S HN -0.027 nan 8.310 nan 0.000 0.514 105 L N 2.013 123.309 121.223 0.123 0.000 2.331 105 L HA 0.335 4.682 4.340 0.011 0.000 0.278 105 L C 1.357 178.323 176.870 0.159 0.000 1.106 105 L CA 0.073 54.983 54.840 0.116 0.000 0.824 105 L CB 1.155 43.262 42.059 0.079 0.000 1.142 105 L HN -0.006 nan 8.230 nan 0.000 0.443 106 V N 3.769 123.792 119.914 0.181 0.000 2.307 106 V HA -0.131 3.996 4.120 0.011 0.000 0.245 106 V C 0.795 176.987 176.094 0.163 0.000 1.045 106 V CA 1.346 63.788 62.300 0.237 0.000 1.024 106 V CB -0.337 31.619 31.823 0.222 0.000 0.651 106 V HN 0.513 nan 8.190 nan 0.000 0.449 107 L N 2.579 123.857 121.223 0.092 0.000 2.417 107 L HA 0.433 4.779 4.340 0.011 0.000 0.259 107 L C -2.076 174.834 176.870 0.067 0.000 1.023 107 L CA -1.101 53.786 54.840 0.078 0.000 0.901 107 L CB 1.000 43.048 42.059 -0.018 0.000 1.227 107 L HN 0.256 nan 8.230 nan 0.000 0.454 123 E N 0.490 120.699 120.200 0.015 0.000 2.051 123 E HA -0.293 4.064 4.350 0.011 0.000 0.192 123 E C 1.958 178.568 176.600 0.016 0.000 0.991 123 E CA 1.730 58.137 56.400 0.012 0.000 0.799 123 E CB -0.103 29.603 29.700 0.009 0.000 0.748 123 E HN 0.701 nan 8.360 nan 0.000 0.449 124 Q N 0.063 119.875 119.800 0.020 0.000 2.172 124 Q HA -0.150 4.196 4.340 0.011 0.000 0.200 124 Q C 2.299 178.320 176.000 0.036 0.000 0.964 124 Q CA 0.948 56.766 55.803 0.024 0.000 0.855 124 Q CB -0.040 28.711 28.738 0.021 0.000 0.918 124 Q HN 0.341 nan 8.270 nan 0.000 0.444 125 L N 0.402 121.649 121.223 0.041 0.000 2.056 125 L HA -0.148 4.198 4.340 0.011 0.000 0.207 125 L C 2.050 178.959 176.870 0.064 0.000 1.078 125 L CA 1.431 56.312 54.840 0.069 0.000 0.749 125 L CB -0.726 41.383 42.059 0.084 0.000 0.901 125 L HN 0.335 nan 8.230 nan 0.000 0.433 126 L N -0.402 120.837 121.223 0.027 0.000 2.042 126 L HA -0.196 4.150 4.340 0.011 0.000 0.210 126 L C 2.766 179.637 176.870 0.001 0.000 1.076 126 L CA 2.215 57.047 54.840 -0.014 0.000 0.749 126 L CB -1.165 40.883 42.059 -0.017 0.000 0.893 126 L HN 0.663 nan 8.230 nan 0.000 0.432 127 S N -1.376 114.337 115.700 0.022 0.000 2.383 127 S HA -0.237 4.240 4.470 0.011 0.000 0.227 127 S C 1.805 176.442 174.600 0.062 0.000 1.026 127 S CA 0.932 59.152 58.200 0.033 0.000 0.981 127 S CB -0.388 62.831 63.200 0.030 0.000 0.818 127 S HN 0.503 nan 8.310 nan 0.000 0.472 128 Q N 1.018 120.863 119.800 0.075 0.000 2.119 128 Q HA 0.085 4.431 4.340 0.011 0.000 0.201 128 Q C 2.613 178.716 176.000 0.172 0.000 0.972 128 Q CA 1.312 57.182 55.803 0.113 0.000 0.847 128 Q CB -0.490 28.308 28.738 0.099 0.000 0.903 128 Q HN 0.772 nan 8.270 nan 0.000 0.433 129 A N 1.139 124.043 122.820 0.139 0.000 1.873 129 A HA -0.184 4.143 4.320 0.011 0.000 0.215 129 A C 1.979 179.636 177.584 0.123 0.000 1.186 129 A CA 1.212 53.329 52.037 0.132 0.000 0.616 129 A CB -0.365 18.485 19.000 -0.249 0.000 0.823 129 A HN 0.197 nan 8.150 nan 0.000 0.442 130 R N -0.604 119.927 120.500 0.052 0.000 2.081 130 R HA -0.171 4.175 4.340 0.011 0.000 0.235 130 R C 2.020 178.394 176.300 0.124 0.000 1.131 130 R CA 1.669 57.806 56.100 0.062 0.000 0.960 130 R CB -0.444 29.868 30.300 0.021 0.000 0.856 130 R HN 0.723 nan 8.270 nan 0.000 0.436 131 D N 0.026 120.509 120.400 0.139 0.000 2.117 131 D HA -0.212 4.434 4.640 0.011 0.000 0.197 131 D C 1.636 178.059 176.300 0.206 0.000 0.987 131 D CA 1.009 55.100 54.000 0.153 0.000 0.829 131 D CB -0.071 40.815 40.800 0.144 0.000 0.961 131 D HN 0.138 nan 8.370 nan 0.000 0.460 132 F N 0.761 120.803 119.950 0.153 0.000 2.134 132 F HA -0.070 4.462 4.527 0.010 0.000 0.299 132 F C 1.898 177.849 175.800 0.253 0.000 1.097 132 F CA 0.981 59.108 58.000 0.212 0.000 1.264 132 F CB -0.186 38.948 39.000 0.222 0.000 1.001 132 F HN 0.003 nan 8.300 nan 0.000 0.479 133 I N 0.807 121.399 120.570 0.037 0.000 2.286 133 I HA -0.285 3.891 4.170 0.011 0.000 0.248 133 I C 1.946 178.108 176.117 0.075 0.000 1.115 133 I CA 1.109 62.438 61.300 0.048 0.000 1.392 133 I CB -1.622 36.502 38.000 0.207 0.000 1.065 133 I HN 0.214 nan 8.210 nan 0.000 0.418 134 N N 0.982 119.748 118.700 0.111 0.000 2.120 134 N HA -0.188 4.559 4.740 0.011 0.000 0.188 134 N C 1.840 177.301 175.510 -0.083 0.000 1.024 134 N CA 1.101 54.190 53.050 0.066 0.000 0.852 134 N CB -0.334 38.236 38.487 0.139 0.000 1.003 134 N HN 0.498 nan 8.380 nan 0.000 0.424 135 Q N -0.597 119.165 119.800 -0.064 0.000 2.050 135 Q HA -0.177 4.170 4.340 0.011 0.000 0.202 135 Q C 1.791 177.584 176.000 -0.346 0.000 0.980 135 Q CA 1.269 57.037 55.803 -0.058 0.000 0.840 135 Q CB -0.270 28.566 28.738 0.162 0.000 0.898 135 Q HN 0.453 nan 8.270 nan 0.000 0.424 136 Y N 0.091 119.962 120.300 -0.716 0.000 2.114 136 Y HA -0.298 4.257 4.550 0.009 0.000 0.284 136 Y C 1.792 177.159 175.900 -0.890 0.000 1.143 136 Y CA 1.628 59.048 58.100 -1.133 0.000 1.135 136 Y CB -0.494 37.383 38.460 -0.972 0.000 0.980 136 Y HN 0.081 nan 8.280 nan 0.000 0.499 137 Y N -0.724 119.190 120.300 -0.643 0.000 2.274 137 Y HA -0.214 4.343 4.550 0.012 0.000 0.290 137 Y C 3.076 178.646 175.900 -0.550 0.000 1.145 137 Y CA 1.765 59.462 58.100 -0.672 0.000 1.203 137 Y CB -0.825 37.104 38.460 -0.885 0.000 0.984 137 Y HN 0.233 nan 8.280 nan 0.000 0.533 138 S N -0.522 114.958 115.700 -0.366 0.000 2.368 138 S HA -0.204 4.273 4.470 0.011 0.000 0.225 138 S C 2.349 176.773 174.600 -0.294 0.000 1.030 138 S CA 1.562 59.616 58.200 -0.243 0.000 0.999 138 S CB -0.677 62.434 63.200 -0.148 0.000 0.844 138 S HN 0.577 nan 8.310 nan 0.000 0.459 139 S N 1.790 117.221 115.700 -0.449 0.000 2.423 139 S HA -0.019 4.457 4.470 0.011 0.000 0.231 139 S C 1.654 175.992 174.600 -0.437 0.000 1.014 139 S CA 0.961 58.913 58.200 -0.412 0.000 0.965 139 S CB -0.928 61.920 63.200 -0.586 0.000 0.785 139 S HN 0.825 nan 8.310 nan 0.000 0.495 140 I N -3.145 117.063 120.570 -0.603 0.000 3.904 140 I HA 0.411 4.587 4.170 0.011 0.000 0.333 140 I C -0.392 175.549 176.117 -0.294 0.000 1.361 140 I CA -0.551 60.463 61.300 -0.477 0.000 1.116 140 I CB -0.091 37.511 38.000 -0.662 0.000 1.028 140 I HN -0.128 nan 8.210 nan 0.000 0.398 141 K N 2.220 122.474 120.400 -0.243 0.000 3.162 141 K HA -0.138 4.189 4.320 0.011 0.000 0.268 141 K C -0.165 176.376 176.600 -0.099 0.000 1.062 141 K CA 0.460 56.662 56.287 -0.142 0.000 0.769 141 K CB -1.623 30.814 32.500 -0.104 0.000 1.274 141 K HN 0.581 nan 8.250 nan 0.000 0.478 142 R N -0.814 119.629 120.500 -0.095 0.000 2.637 142 R HA 0.130 4.476 4.340 0.011 0.000 0.446 142 R C -0.376 175.966 176.300 0.070 0.000 1.024 142 R CA -0.313 55.796 56.100 0.015 0.000 1.080 142 R CB 0.637 30.988 30.300 0.086 0.000 1.421 142 R HN 0.034 nan 8.270 nan 0.000 0.593 143 S N -0.092 115.614 115.700 0.010 0.000 2.549 143 S HA 0.335 4.811 4.470 0.011 0.000 0.283 143 S C 1.316 176.017 174.600 0.168 0.000 1.320 143 S CA 0.981 59.230 58.200 0.081 0.000 1.058 143 S CB 1.074 64.293 63.200 0.032 0.000 0.882 143 S HN 0.674 nan 8.310 nan 0.000 0.498 144 G N 2.177 111.169 108.800 0.321 0.000 2.179 144 G HA2 -0.308 3.659 3.960 0.011 0.000 0.260 144 G HA3 -0.308 3.659 3.960 0.011 0.000 0.260 144 G C 0.323 175.247 174.900 0.039 0.000 0.977 144 G CA 0.280 45.436 45.100 0.093 0.000 0.641 144 G HN 1.140 nan 8.290 nan 0.000 0.533 145 S N -0.637 115.110 115.700 0.078 0.000 2.624 145 S HA 0.472 4.948 4.470 0.011 0.000 0.263 145 S C 1.332 175.925 174.600 -0.011 0.000 1.287 145 S CA 0.731 58.953 58.200 0.036 0.000 0.990 145 S CB 1.516 64.757 63.200 0.069 0.000 0.950 145 S HN 0.572 nan 8.310 nan 0.000 0.561 146 Q N 0.790 120.583 119.800 -0.012 0.000 2.084 146 Q HA -0.138 4.208 4.340 0.011 0.000 0.202 146 Q C 2.235 178.207 176.000 -0.046 0.000 0.978 146 Q CA 1.659 57.443 55.803 -0.032 0.000 0.844 146 Q CB -0.822 27.909 28.738 -0.012 0.000 0.898 146 Q HN 0.939 nan 8.270 nan 0.000 0.426 147 A N 0.255 123.070 122.820 -0.008 0.000 1.908 147 A HA -0.261 4.065 4.320 0.011 0.000 0.218 147 A C 1.921 179.374 177.584 -0.219 0.000 1.181 147 A CA 1.766 53.804 52.037 0.002 0.000 0.627 147 A CB -1.113 17.984 19.000 0.160 0.000 0.818 147 A HN 0.730 nan 8.150 nan 0.000 0.445 148 H N -0.646 118.084 119.070 -0.566 0.000 2.293 148 H HA -0.120 4.443 4.556 0.011 0.000 0.300 148 H C 1.886 176.895 175.328 -0.532 0.000 1.082 148 H CA 1.283 56.687 56.048 -1.073 0.000 1.308 148 H CB 0.118 29.477 29.762 -0.671 0.000 1.375 148 H HN 0.430 nan 8.280 nan 0.000 0.495 149 E N 0.735 120.728 120.200 -0.345 0.000 2.153 149 E HA -0.156 4.200 4.350 0.011 0.000 0.194 149 E C 2.055 178.541 176.600 -0.190 0.000 0.988 149 E CA 0.904 57.121 56.400 -0.306 0.000 0.811 149 E CB -0.147 29.426 29.700 -0.212 0.000 0.746 149 E HN 0.702 nan 8.360 nan 0.000 0.466 150 E N 0.431 120.547 120.200 -0.140 0.000 2.107 150 E HA -0.151 4.205 4.350 0.011 0.000 0.191 150 E C 2.167 178.733 176.600 -0.057 0.000 0.982 150 E CA 0.644 56.999 56.400 -0.076 0.000 0.809 150 E CB -0.011 29.668 29.700 -0.037 0.000 0.756 150 E HN -0.064 nan 8.360 nan 0.000 0.459 151 R N 1.245 121.698 120.500 -0.077 0.000 2.075 151 R HA -0.067 4.280 4.340 0.011 0.000 0.232 151 R C 2.071 178.361 176.300 -0.017 0.000 1.126 151 R CA 1.061 57.162 56.100 0.002 0.000 0.963 151 R CB -0.497 29.848 30.300 0.075 0.000 0.858 151 R HN 0.130 nan 8.270 nan 0.000 0.435 152 L N 0.358 121.534 121.223 -0.079 0.000 2.046 152 L HA -0.219 4.127 4.340 0.011 0.000 0.208 152 L C 2.458 179.280 176.870 -0.080 0.000 1.077 152 L CA 1.267 56.055 54.840 -0.086 0.000 0.747 152 L CB -0.515 41.449 42.059 -0.159 0.000 0.896 152 L HN 0.265 nan 8.230 nan 0.000 0.432 153 Q N -0.172 119.582 119.800 -0.077 0.000 2.050 153 Q HA -0.271 4.075 4.340 0.011 0.000 0.202 153 Q C 2.055 178.037 176.000 -0.031 0.000 0.980 153 Q CA 1.665 57.435 55.803 -0.055 0.000 0.840 153 Q CB -0.319 28.390 28.738 -0.050 0.000 0.898 153 Q HN 0.557 nan 8.270 nan 0.000 0.424 154 E N 0.193 120.385 120.200 -0.015 0.000 2.085 154 E HA -0.153 4.203 4.350 0.011 0.000 0.194 154 E C 2.035 178.643 176.600 0.014 0.000 0.994 154 E CA 1.288 57.697 56.400 0.015 0.000 0.801 154 E CB 0.216 29.940 29.700 0.041 0.000 0.743 154 E HN 0.106 nan 8.360 nan 0.000 0.453 155 V N 1.287 121.184 119.914 -0.028 0.000 2.358 155 V HA -0.230 3.897 4.120 0.011 0.000 0.246 155 V C 2.033 178.060 176.094 -0.111 0.000 1.047 155 V CA 2.104 64.333 62.300 -0.118 0.000 1.035 155 V CB -0.496 31.139 31.823 -0.314 0.000 0.658 155 V HN 0.293 nan 8.190 nan 0.000 0.452 156 E N 0.532 120.682 120.200 -0.084 0.000 2.110 156 E HA -0.172 4.184 4.350 0.011 0.000 0.193 156 E C 2.306 178.895 176.600 -0.018 0.000 0.988 156 E CA 1.308 57.674 56.400 -0.056 0.000 0.804 156 E CB -0.316 29.353 29.700 -0.051 0.000 0.745 156 E HN 0.609 nan 8.360 nan 0.000 0.458 157 A N 1.421 124.238 122.820 -0.005 0.000 1.897 157 A HA -0.216 4.111 4.320 0.011 0.000 0.215 157 A C 2.075 179.681 177.584 0.037 0.000 1.181 157 A CA 1.459 53.504 52.037 0.013 0.000 0.620 157 A CB -0.368 18.640 19.000 0.013 0.000 0.821 157 A HN 0.245 nan 8.150 nan 0.000 0.443 158 E N -0.154 120.081 120.200 0.058 0.000 2.077 158 E HA -0.135 4.222 4.350 0.011 0.000 0.193 158 E C 1.799 178.467 176.600 0.113 0.000 0.989 158 E CA 1.495 57.958 56.400 0.105 0.000 0.800 158 E CB -0.122 29.682 29.700 0.173 0.000 0.746 158 E HN 0.284 nan 8.360 nan 0.000 0.452 159 V N 1.218 121.189 119.914 0.094 0.000 2.358 159 V HA -0.249 3.878 4.120 0.011 0.000 0.246 159 V C 2.445 178.574 176.094 0.058 0.000 1.047 159 V CA 1.625 63.979 62.300 0.090 0.000 1.035 159 V CB -0.799 31.056 31.823 0.053 0.000 0.658 159 V HN 0.468 nan 8.190 nan 0.000 0.452 160 A N 0.866 123.708 122.820 0.037 0.000 1.859 160 A HA -0.282 4.044 4.320 0.011 0.000 0.217 160 A C 2.536 180.140 177.584 0.033 0.000 1.198 160 A CA 2.947 55.000 52.037 0.027 0.000 0.629 160 A CB -0.889 18.121 19.000 0.017 0.000 0.830 160 A HN 0.701 nan 8.150 nan 0.000 0.446 161 S N -1.856 113.868 115.700 0.039 0.000 2.478 161 S HA -0.030 4.447 4.470 0.011 0.000 0.222 161 S C 1.579 176.207 174.600 0.047 0.000 1.008 161 S CA 1.525 59.748 58.200 0.039 0.000 0.928 161 S CB -0.473 62.748 63.200 0.036 0.000 0.781 161 S HN 0.865 nan 8.310 nan 0.000 0.518 162 T N -4.131 110.462 114.554 0.064 0.000 2.975 162 T HA 0.542 4.899 4.350 0.011 0.000 0.257 162 T C 1.608 176.350 174.700 0.069 0.000 1.003 162 T CA 0.844 62.987 62.100 0.072 0.000 0.932 162 T CB 0.167 69.096 68.868 0.102 0.000 1.087 162 T HN 1.157 nan 8.240 nan 0.000 0.512 163 G N 0.328 109.168 108.800 0.068 0.000 2.217 163 G HA2 -0.200 3.767 3.960 0.011 0.000 0.246 163 G HA3 -0.200 3.767 3.960 0.011 0.000 0.246 163 G C 0.235 175.180 174.900 0.075 0.000 0.990 163 G CA 0.593 45.728 45.100 0.059 0.000 0.627 163 G HN 1.014 nan 8.290 nan 0.000 0.522 164 T N -1.295 113.321 114.554 0.104 0.000 2.647 164 T HA 0.741 5.097 4.350 0.011 0.000 0.295 164 T C -1.094 173.751 174.700 0.242 0.000 1.126 164 T CA 0.429 62.600 62.100 0.120 0.000 1.040 164 T CB 1.486 70.343 68.868 -0.018 0.000 1.472 164 T HN 1.497 nan 8.240 nan 0.000 0.500 165 Y N -0.902 119.377 120.300 -0.034 0.000 2.744 165 Y HA 0.831 5.387 4.550 0.011 0.000 0.330 165 Y C -1.620 174.226 175.900 -0.091 0.000 1.263 165 Y CA -1.220 56.920 58.100 0.067 0.000 1.065 165 Y CB 0.891 39.397 38.460 0.076 0.000 1.306 165 Y HN 0.737 nan 8.280 nan 0.000 0.459 166 H N 0.683 119.776 119.070 0.039 0.000 2.690 166 H HA 0.615 5.178 4.556 0.010 0.000 0.368 166 H C -1.039 174.325 175.328 0.061 0.000 1.150 166 H CA -0.860 55.153 56.048 -0.058 0.000 1.174 166 H CB 1.984 31.756 29.762 0.017 0.000 1.684 166 H HN 0.717 nan 8.280 nan 0.000 0.538 167 L N 2.387 123.669 121.223 0.099 0.000 2.375 167 L HA 0.457 4.804 4.340 0.011 0.000 0.271 167 L C 0.664 177.607 176.870 0.122 0.000 1.107 167 L CA -0.629 54.300 54.840 0.148 0.000 0.806 167 L CB 0.784 42.898 42.059 0.093 0.000 1.146 167 L HN 0.445 nan 8.230 nan 0.000 0.447 168 R N 0.955 121.508 120.500 0.088 0.000 2.637 168 R HA 0.038 4.384 4.340 0.011 0.000 0.269 168 R C 1.082 177.383 176.300 0.002 0.000 1.089 168 R CA -0.438 55.685 56.100 0.039 0.000 1.177 168 R CB 0.767 31.069 30.300 0.004 0.000 1.091 168 R HN 0.651 nan 8.270 nan 0.000 0.540 169 E N 0.993 121.194 120.200 0.003 0.000 2.049 169 E HA -0.264 4.092 4.350 0.011 0.000 0.198 169 E C 1.546 178.140 176.600 -0.011 0.000 1.007 169 E CA 2.315 58.711 56.400 -0.007 0.000 0.809 169 E CB 0.050 29.752 29.700 0.002 0.000 0.749 169 E HN 0.680 nan 8.360 nan 0.000 0.450 170 S N -0.007 115.687 115.700 -0.010 0.000 2.423 170 S HA -0.146 4.331 4.470 0.011 0.000 0.231 170 S C 1.695 176.300 174.600 0.007 0.000 1.014 170 S CA 1.160 59.383 58.200 0.037 0.000 0.965 170 S CB -0.252 63.009 63.200 0.102 0.000 0.785 170 S HN 0.334 nan 8.310 nan 0.000 0.495 171 E N 0.870 120.947 120.200 -0.205 0.000 2.106 171 E HA -0.032 4.324 4.350 0.011 0.000 0.192 171 E C 2.001 178.729 176.600 0.214 0.000 0.984 171 E CA 0.984 57.294 56.400 -0.148 0.000 0.806 171 E CB -0.313 29.304 29.700 -0.138 0.000 0.750 171 E HN 0.428 nan 8.360 nan 0.000 0.458 172 L N 0.932 122.185 121.223 0.050 0.000 2.017 172 L HA -0.150 4.197 4.340 0.011 0.000 0.208 172 L C 2.217 179.067 176.870 -0.033 0.000 1.073 172 L CA 1.389 56.192 54.840 -0.061 0.000 0.745 172 L CB -0.362 41.608 42.059 -0.148 0.000 0.894 172 L HN -0.068 nan 8.230 nan 0.000 0.432 173 V N -0.364 119.566 119.914 0.026 0.000 2.287 173 V HA -0.323 3.803 4.120 0.011 0.000 0.248 173 V C 2.355 178.540 176.094 0.151 0.000 1.053 173 V CA 2.216 64.544 62.300 0.048 0.000 1.027 173 V CB -0.982 30.876 31.823 0.058 0.000 0.646 173 V HN 0.577 nan 8.190 nan 0.000 0.447 174 F N 2.075 122.108 119.950 0.138 0.000 2.102 174 F HA -0.044 4.489 4.527 0.009 0.000 0.298 174 F C 2.161 178.098 175.800 0.229 0.000 1.105 174 F CA 1.759 59.893 58.000 0.224 0.000 1.239 174 F CB -0.923 38.287 39.000 0.350 0.000 0.991 174 F HN 0.119 nan 8.300 nan 0.000 0.474 175 G N -0.266 108.606 108.800 0.119 0.000 2.402 175 G HA2 -0.179 3.787 3.960 0.011 0.000 0.216 175 G HA3 -0.179 3.787 3.960 0.011 0.000 0.216 175 G C 1.813 176.561 174.900 -0.254 0.000 1.162 175 G CA 0.793 45.833 45.100 -0.100 0.000 0.777 175 G HN 0.641 nan 8.290 nan 0.000 0.539 176 A N 0.922 123.627 122.820 -0.191 0.000 1.877 176 A HA 0.012 4.338 4.320 0.011 0.000 0.216 176 A C 2.304 179.866 177.584 -0.038 0.000 1.186 176 A CA 1.920 53.850 52.037 -0.179 0.000 0.620 176 A CB -0.344 18.579 19.000 -0.128 0.000 0.822 176 A HN 0.367 nan 8.150 nan 0.000 0.443 177 K N -1.048 119.377 120.400 0.040 0.000 2.097 177 K HA -0.182 4.145 4.320 0.011 0.000 0.206 177 K C 2.336 178.987 176.600 0.085 0.000 1.049 177 K CA 1.586 58.008 56.287 0.227 0.000 0.933 177 K CB -0.115 32.575 32.500 0.315 0.000 0.717 177 K HN 0.472 nan 8.250 nan 0.000 0.442 178 Q N 0.673 120.340 119.800 -0.220 0.000 2.119 178 Q HA -0.060 4.287 4.340 0.011 0.000 0.201 178 Q C 1.860 177.703 176.000 -0.263 0.000 0.972 178 Q CA 1.548 57.120 55.803 -0.385 0.000 0.847 178 Q CB -0.135 28.230 28.738 -0.623 0.000 0.903 178 Q HN 0.329 nan 8.270 nan 0.000 0.433 179 A N -0.479 122.184 122.820 -0.261 0.000 1.902 179 A HA -0.195 4.132 4.320 0.011 0.000 0.217 179 A C 1.812 179.396 177.584 0.000 0.000 1.181 179 A CA 1.501 53.330 52.037 -0.346 0.000 0.623 179 A CB -1.196 17.250 19.000 -0.924 0.000 0.818 179 A HN 0.720 nan 8.150 nan 0.000 0.443 180 W N 0.921 122.213 121.300 -0.013 0.000 2.379 180 W HA -0.115 4.550 4.660 0.008 0.000 0.307 180 W C 2.352 178.829 176.519 -0.071 0.000 1.200 180 W CA 1.498 58.887 57.345 0.073 0.000 1.297 180 W CB -0.741 28.755 29.460 0.059 0.000 1.140 180 W HN 0.373 nan 8.180 nan 0.000 0.507 181 R N 0.382 120.807 120.500 -0.126 0.000 2.117 181 R HA -0.203 4.143 4.340 0.011 0.000 0.243 181 R C 1.586 177.721 176.300 -0.274 0.000 1.143 181 R CA 1.910 57.717 56.100 -0.489 0.000 0.968 181 R CB -0.570 29.131 30.300 -0.999 0.000 0.863 181 R HN 0.092 nan 8.270 nan 0.000 0.444 182 N N 0.305 118.899 118.700 -0.177 0.000 2.463 182 N HA 0.017 4.764 4.740 0.011 0.000 0.181 182 N C -0.323 175.139 175.510 -0.080 0.000 1.078 182 N CA 0.706 53.676 53.050 -0.132 0.000 0.902 182 N CB 0.331 38.741 38.487 -0.129 0.000 0.970 182 N HN 0.186 nan 8.380 nan 0.000 0.451 183 A N 2.110 124.930 122.820 -0.000 0.000 2.489 183 A HA 0.196 4.523 4.320 0.011 0.000 0.289 183 A C -1.240 176.321 177.584 -0.038 0.000 1.216 183 A CA -0.881 51.159 52.037 0.004 0.000 0.883 183 A CB 0.201 19.256 19.000 0.093 0.000 1.110 183 A HN 0.028 nan 8.150 nan 0.000 0.523 184 P HA -0.121 nan 4.420 nan 0.000 0.221 184 P C 1.074 178.322 177.300 -0.086 0.000 1.145 184 P CA 1.133 64.174 63.100 -0.098 0.000 0.795 184 P CB 0.161 31.769 31.700 -0.153 0.000 0.775 185 R N -2.158 118.258 120.500 -0.141 0.000 2.317 185 R HA 0.156 4.502 4.340 0.011 0.000 0.208 185 R C 0.177 176.484 176.300 0.012 0.000 0.914 185 R CA -0.140 55.897 56.100 -0.107 0.000 1.060 185 R CB -0.312 29.721 30.300 -0.446 0.000 1.015 185 R HN 0.178 nan 8.270 nan 0.000 0.498 186 C N 0.481 119.769 119.300 -0.020 0.000 2.255 186 C HA 0.244 4.711 4.460 0.011 0.000 0.326 186 C C 1.801 176.730 174.990 -0.100 0.000 1.258 186 C CA -0.684 58.340 59.018 0.011 0.000 1.676 186 C CB 0.642 28.450 27.740 0.113 0.000 2.314 186 C HN 0.269 nan 8.230 nan 0.000 0.509 187 V N 5.997 125.806 119.914 -0.175 0.000 3.461 187 V HA 0.210 4.337 4.120 0.011 0.000 0.267 187 V C 1.770 177.858 176.094 -0.010 0.000 1.186 187 V CA 2.044 64.124 62.300 -0.367 0.000 1.154 187 V CB -0.121 31.521 31.823 -0.302 0.000 0.802 187 V HN 1.082 nan 8.190 nan 0.000 0.474 188 G N -0.636 108.200 108.800 0.060 0.000 3.284 188 G HA2 0.031 3.997 3.960 0.011 0.000 0.236 188 G HA3 0.031 3.997 3.960 0.011 0.000 0.236 188 G C 1.254 176.189 174.900 0.059 0.000 1.158 188 G CA -0.324 44.834 45.100 0.097 0.000 0.774 188 G HN 0.439 nan 8.290 nan 0.000 0.545 189 R N -0.169 120.291 120.500 -0.067 0.000 2.341 189 R HA 0.100 4.446 4.340 0.011 0.000 0.213 189 R C 1.976 177.876 176.300 -0.668 0.000 1.082 189 R CA 0.198 55.970 56.100 -0.546 0.000 1.017 189 R CB -0.179 29.727 30.300 -0.657 0.000 0.860 189 R HN 0.441 nan 8.270 nan 0.000 0.473 190 I N 0.917 121.299 120.570 -0.313 0.000 2.614 190 I HA -0.239 3.937 4.170 0.011 0.000 0.258 190 I C 1.284 177.331 176.117 -0.117 0.000 1.189 190 I CA 1.224 62.492 61.300 -0.053 0.000 1.462 190 I CB 0.164 38.216 38.000 0.087 0.000 1.092 190 I HN 0.203 nan 8.210 nan 0.000 0.442 191 Q N 0.506 120.168 119.800 -0.230 0.000 2.403 191 Q HA -0.112 4.235 4.340 0.011 0.000 0.203 191 Q C 1.660 177.266 176.000 -0.656 0.000 0.932 191 Q CA 0.454 56.108 55.803 -0.249 0.000 0.945 191 Q CB -0.257 28.488 28.738 0.012 0.000 1.045 191 Q HN 0.783 nan 8.270 nan 0.000 0.511 192 W N 0.470 121.070 121.300 -1.166 0.000 2.308 192 W HA -0.176 4.492 4.660 0.014 0.000 0.301 192 W C 1.211 177.437 176.519 -0.488 0.000 1.220 192 W CA 1.327 57.850 57.345 -1.370 0.000 1.240 192 W CB -1.367 27.472 29.460 -1.034 0.000 1.142 192 W HN 0.099 nan 8.180 nan 0.000 0.521 193 G N 0.987 109.047 108.800 -1.233 0.000 2.679 193 G HA2 -0.179 3.787 3.960 0.011 0.000 0.212 193 G HA3 -0.179 3.787 3.960 0.011 0.000 0.212 193 G C 1.606 176.274 174.900 -0.386 0.000 1.137 193 G CA 0.186 44.673 45.100 -1.020 0.000 0.787 193 G HN 0.253 nan 8.290 nan 0.000 0.534 194 K N -0.198 120.077 120.400 -0.207 0.000 2.374 194 K HA 0.197 4.523 4.320 0.011 0.000 0.196 194 K C 0.262 176.930 176.600 0.114 0.000 1.023 194 K CA -0.598 55.678 56.287 -0.018 0.000 1.103 194 K CB 0.016 32.541 32.500 0.042 0.000 0.848 194 K HN 0.248 nan 8.250 nan 0.000 0.528 195 L N 2.213 123.564 121.223 0.213 0.000 2.540 195 L HA -0.056 4.290 4.340 0.011 0.000 0.276 195 L C -0.086 176.785 176.870 0.003 0.000 1.212 195 L CA 0.648 55.613 54.840 0.209 0.000 0.893 195 L CB 0.565 42.820 42.059 0.327 0.000 1.138 195 L HN -0.020 nan 8.230 nan 0.000 0.491 196 Q N 3.767 123.501 119.800 -0.109 0.000 2.360 196 Q HA 0.379 4.725 4.340 0.011 0.000 0.254 196 Q C -1.359 174.277 176.000 -0.605 0.000 0.975 196 Q CA -0.225 55.346 55.803 -0.387 0.000 0.912 196 Q CB 1.005 29.449 28.738 -0.490 0.000 1.212 196 Q HN 0.503 nan 8.270 nan 0.000 0.452 197 V N 6.201 125.806 119.914 -0.514 0.000 2.348 197 V HA 0.345 4.471 4.120 0.011 0.000 0.270 197 V C -0.534 175.237 176.094 -0.539 0.000 1.037 197 V CA -0.455 61.591 62.300 -0.424 0.000 0.872 197 V CB -0.038 31.655 31.823 -0.218 0.000 1.002 197 V HN 0.604 nan 8.190 nan 0.000 0.464 198 F N 2.809 122.634 119.950 -0.209 0.000 2.405 198 F HA 0.362 4.892 4.527 0.006 0.000 0.355 198 F C 0.577 176.209 175.800 -0.279 0.000 1.121 198 F CA -1.030 56.833 58.000 -0.229 0.000 1.112 198 F CB 0.890 39.753 39.000 -0.229 0.000 1.126 198 F HN 0.406 nan 8.300 nan 0.000 0.481 199 D N 3.059 123.423 120.400 -0.060 0.000 2.339 199 D HA 0.416 5.062 4.640 0.011 0.000 0.241 199 D C -0.001 176.130 176.300 -0.282 0.000 1.183 199 D CA 0.089 53.987 54.000 -0.170 0.000 0.859 199 D CB 1.293 42.036 40.800 -0.095 0.000 1.067 199 D HN 0.630 nan 8.370 nan 0.000 0.484 200 A N 4.582 127.082 122.820 -0.533 0.000 2.631 200 A HA 0.157 4.483 4.320 0.011 0.000 0.294 200 A C 1.454 178.755 177.584 -0.471 0.000 1.156 200 A CA -0.393 51.101 52.037 -0.905 0.000 0.963 200 A CB 0.068 18.009 19.000 -1.765 0.000 1.202 200 A HN 0.547 nan 8.150 nan 0.000 0.523 201 R N 0.655 121.011 120.500 -0.240 0.000 2.357 201 R HA -0.076 4.271 4.340 0.011 0.000 0.202 201 R C 0.557 176.837 176.300 -0.034 0.000 1.047 201 R CA 1.176 57.217 56.100 -0.099 0.000 1.034 201 R CB 0.056 30.356 30.300 0.000 0.000 0.875 201 R HN 0.668 nan 8.270 nan 0.000 0.473 202 D N -0.975 119.420 120.400 -0.008 0.000 2.349 202 D HA -0.054 4.592 4.640 0.011 0.000 0.214 202 D C 0.344 176.724 176.300 0.133 0.000 1.063 202 D CA -0.326 53.721 54.000 0.077 0.000 0.847 202 D CB -0.542 40.323 40.800 0.107 0.000 0.933 202 D HN -0.028 nan 8.370 nan 0.000 0.513 203 C N 1.985 121.355 119.300 0.118 0.000 2.596 203 C HA 0.287 4.753 4.460 0.011 0.000 0.414 203 C C 1.658 176.803 174.990 0.259 0.000 1.396 203 C CA 0.700 59.860 59.018 0.236 0.000 1.698 203 C CB -0.731 27.159 27.740 0.251 0.000 2.572 203 C HN 0.471 nan 8.230 nan 0.000 0.604 204 S N 2.525 118.414 115.700 0.315 0.000 2.780 204 S HA 0.316 4.793 4.470 0.011 0.000 0.248 204 S C -0.023 174.744 174.600 0.278 0.000 1.036 204 S CA 0.210 58.615 58.200 0.343 0.000 1.061 204 S CB -0.171 63.158 63.200 0.215 0.000 1.037 204 S HN 1.225 nan 8.310 nan 0.000 0.584 205 S N -0.396 115.469 115.700 0.276 0.000 2.596 205 S HA 0.812 5.289 4.470 0.011 0.000 0.270 205 S C 0.798 175.487 174.600 0.149 0.000 1.155 205 S CA -0.313 57.987 58.200 0.166 0.000 0.827 205 S CB 0.945 64.221 63.200 0.125 0.000 1.130 205 S HN 0.459 nan 8.310 nan 0.000 0.467 206 A N 0.749 123.626 122.820 0.096 0.000 1.933 206 A HA -0.066 4.260 4.320 0.011 0.000 0.218 206 A C 2.122 179.689 177.584 -0.029 0.000 1.175 206 A CA 2.186 54.262 52.037 0.065 0.000 0.628 206 A CB -1.248 17.854 19.000 0.171 0.000 0.814 206 A HN 0.911 nan 8.150 nan 0.000 0.444 207 Q N 0.203 120.074 119.800 0.118 0.000 2.096 207 Q HA -0.206 4.141 4.340 0.011 0.000 0.204 207 Q C 1.896 177.904 176.000 0.013 0.000 0.982 207 Q CA 2.363 58.212 55.803 0.078 0.000 0.850 207 Q CB -0.380 28.477 28.738 0.199 0.000 0.901 207 Q HN 0.754 nan 8.270 nan 0.000 0.422 208 E N -0.941 119.303 120.200 0.074 0.000 2.150 208 E HA -0.154 4.203 4.350 0.011 0.000 0.193 208 E C 1.879 178.587 176.600 0.180 0.000 0.985 208 E CA 0.993 57.454 56.400 0.103 0.000 0.814 208 E CB -0.072 29.732 29.700 0.172 0.000 0.752 208 E HN 0.466 nan 8.360 nan 0.000 0.466 209 M N -0.237 119.429 119.600 0.110 0.000 2.117 209 M HA -0.143 4.344 4.480 0.011 0.000 0.262 209 M C 2.104 178.432 176.300 0.046 0.000 1.065 209 M CA 1.391 56.700 55.300 0.014 0.000 1.114 209 M CB -0.316 32.086 32.600 -0.331 0.000 1.361 209 M HN 0.215 nan 8.290 nan 0.000 0.408 210 F N 0.858 120.602 119.950 -0.343 0.000 2.134 210 F HA -0.235 4.300 4.527 0.013 0.000 0.299 210 F C 2.253 177.951 175.800 -0.170 0.000 1.097 210 F CA 1.696 59.445 58.000 -0.419 0.000 1.264 210 F CB -0.141 38.292 39.000 -0.944 0.000 1.001 210 F HN 0.045 nan 8.300 nan 0.000 0.479 211 T N -0.454 113.981 114.554 -0.198 0.000 2.708 211 T HA -0.243 4.114 4.350 0.011 0.000 0.266 211 T C 1.589 176.145 174.700 -0.239 0.000 1.037 211 T CA 1.883 63.816 62.100 -0.279 0.000 1.146 211 T CB -0.794 67.944 68.868 -0.218 0.000 0.865 211 T HN 0.365 nan 8.240 nan 0.000 0.435 212 Y N 0.829 121.093 120.300 -0.061 0.000 2.165 212 Y HA -0.080 4.476 4.550 0.009 0.000 0.286 212 Y C 2.304 178.174 175.900 -0.050 0.000 1.155 212 Y CA 0.837 58.919 58.100 -0.031 0.000 1.164 212 Y CB -0.347 38.198 38.460 0.142 0.000 0.978 212 Y HN 0.159 nan 8.280 nan 0.000 0.513 213 I N -1.489 119.168 120.570 0.145 0.000 2.226 213 I HA -0.355 3.822 4.170 0.011 0.000 0.245 213 I C 2.285 178.334 176.117 -0.114 0.000 1.100 213 I CA 0.905 62.220 61.300 0.025 0.000 1.374 213 I CB -0.443 37.558 38.000 0.002 0.000 1.057 213 I HN 0.319 nan 8.210 nan 0.000 0.413 214 C N 0.638 119.747 119.300 -0.319 0.000 2.425 214 C HA -0.119 4.348 4.460 0.011 0.000 0.277 214 C C 2.608 177.501 174.990 -0.162 0.000 1.280 214 C CA 0.758 59.583 59.018 -0.321 0.000 1.744 214 C CB -1.388 26.037 27.740 -0.525 0.000 1.989 214 C HN 0.542 nan 8.230 nan 0.000 0.491 215 N N -0.044 118.559 118.700 -0.162 0.000 2.188 215 N HA -0.128 4.618 4.740 0.011 0.000 0.184 215 N C 1.434 176.877 175.510 -0.111 0.000 1.018 215 N CA 1.354 54.309 53.050 -0.159 0.000 0.858 215 N CB -0.761 37.579 38.487 -0.246 0.000 0.989 215 N HN 0.744 nan 8.380 nan 0.000 0.426 216 H N 0.678 119.638 119.070 -0.183 0.000 2.290 216 H HA 0.029 4.592 4.556 0.013 0.000 0.298 216 H C 2.143 177.498 175.328 0.046 0.000 1.087 216 H CA 1.710 57.711 56.048 -0.078 0.000 1.291 216 H CB -0.096 29.658 29.762 -0.013 0.000 1.369 216 H HN 0.082 nan 8.280 nan 0.000 0.492 217 I N 0.639 121.359 120.570 0.249 0.000 2.163 217 I HA -0.304 3.873 4.170 0.011 0.000 0.243 217 I C 2.407 178.594 176.117 0.118 0.000 1.085 217 I CA 1.617 63.018 61.300 0.168 0.000 1.347 217 I CB -0.274 37.747 38.000 0.036 0.000 1.044 217 I HN 0.342 nan 8.210 nan 0.000 0.408 218 K N -0.157 120.280 120.400 0.061 0.000 2.026 218 K HA -0.242 4.084 4.320 0.011 0.000 0.208 218 K C 2.235 178.876 176.600 0.069 0.000 1.048 218 K CA 1.838 58.149 56.287 0.040 0.000 0.929 218 K CB -0.454 32.048 32.500 0.003 0.000 0.713 218 K HN 0.247 nan 8.250 nan 0.000 0.439 219 Y N 1.421 121.710 120.300 -0.018 0.000 2.145 219 Y HA -0.254 4.299 4.550 0.005 0.000 0.286 219 Y C 2.269 178.210 175.900 0.068 0.000 1.145 219 Y CA 1.574 59.687 58.100 0.022 0.000 1.148 219 Y CB -0.374 38.100 38.460 0.023 0.000 0.981 219 Y HN 0.059 nan 8.280 nan 0.000 0.507 220 A N -0.747 122.231 122.820 0.263 0.000 1.902 220 A HA -0.186 4.140 4.320 0.011 0.000 0.217 220 A C 2.211 179.866 177.584 0.119 0.000 1.181 220 A CA 2.342 54.506 52.037 0.212 0.000 0.623 220 A CB -1.331 17.837 19.000 0.279 0.000 0.818 220 A HN 0.519 nan 8.150 nan 0.000 0.443 221 T N -0.248 114.368 114.554 0.104 0.000 2.777 221 T HA -0.104 4.252 4.350 0.011 0.000 0.266 221 T C 1.098 175.808 174.700 0.017 0.000 1.040 221 T CA 1.169 63.317 62.100 0.079 0.000 1.141 221 T CB -0.447 68.465 68.868 0.073 0.000 0.868 221 T HN 0.655 nan 8.240 nan 0.000 0.444 222 N N 1.262 119.941 118.700 -0.036 0.000 2.707 222 N HA -0.265 4.481 4.740 0.011 0.000 0.253 222 N C -0.204 175.277 175.510 -0.048 0.000 0.998 222 N CA 0.557 53.557 53.050 -0.083 0.000 0.751 222 N CB -1.310 37.086 38.487 -0.152 0.000 0.920 222 N HN 0.501 nan 8.380 nan 0.000 0.539 223 R N -2.285 118.200 120.500 -0.026 0.000 3.627 223 R HA -0.220 4.126 4.340 0.011 0.000 0.281 223 R C 1.295 177.580 176.300 -0.024 0.000 1.140 223 R CA 1.157 57.243 56.100 -0.023 0.000 0.761 223 R CB -1.932 28.351 30.300 -0.030 0.000 1.181 223 R HN 0.943 nan 8.270 nan 0.000 0.472 224 G N -0.535 108.260 108.800 -0.009 0.000 2.259 224 G HA2 -0.303 3.663 3.960 0.011 0.000 0.217 224 G HA3 -0.303 3.663 3.960 0.011 0.000 0.217 224 G C -0.095 174.795 174.900 -0.015 0.000 1.001 224 G CA -0.001 45.094 45.100 -0.008 0.000 0.627 224 G HN 0.346 nan 8.290 nan 0.000 0.501 225 N N 1.460 120.138 118.700 -0.036 0.000 3.083 225 N HA 0.487 5.233 4.740 0.011 0.000 0.260 225 N C 0.354 175.839 175.510 -0.041 0.000 1.163 225 N CA -0.459 52.552 53.050 -0.065 0.000 1.060 225 N CB -0.226 38.218 38.487 -0.072 0.000 1.345 225 N HN 0.214 nan 8.380 nan 0.000 0.515 226 L N 1.934 123.161 121.223 0.007 0.000 2.514 226 L HA 0.116 4.463 4.340 0.011 0.000 0.280 226 L C 0.872 177.866 176.870 0.207 0.000 1.223 226 L CA 0.925 55.847 54.840 0.137 0.000 0.864 226 L CB 0.194 42.428 42.059 0.293 0.000 1.118 226 L HN 0.312 nan 8.230 nan 0.000 0.494 227 R N 1.058 121.696 120.500 0.230 0.000 2.513 227 R HA 0.421 4.767 4.340 0.011 0.000 0.301 227 R C -0.493 175.992 176.300 0.308 0.000 0.968 227 R CA -0.643 55.618 56.100 0.268 0.000 0.872 227 R CB 1.734 32.085 30.300 0.085 0.000 1.177 227 R HN 0.745 nan 8.270 nan 0.000 0.444 228 S N 1.647 117.529 115.700 0.303 0.000 2.562 228 S HA 0.578 5.054 4.470 0.011 0.000 0.281 228 S C 0.044 174.698 174.600 0.091 0.000 1.333 228 S CA -0.381 57.890 58.200 0.119 0.000 1.052 228 S CB 1.355 64.571 63.200 0.026 0.000 0.884 228 S HN 0.734 nan 8.310 nan 0.000 0.506 229 A N 2.672 125.502 122.820 0.017 0.000 2.610 229 A HA 0.803 5.129 4.320 0.011 0.000 0.291 229 A C -1.187 176.429 177.584 0.054 0.000 1.086 229 A CA -0.848 51.146 52.037 -0.072 0.000 0.677 229 A CB 1.178 20.087 19.000 -0.151 0.000 1.278 229 A HN 1.271 nan 8.150 nan 0.000 0.414 230 I N 0.302 120.894 120.570 0.037 0.000 2.722 230 I HA 0.628 4.804 4.170 0.011 0.000 0.295 230 I C -1.222 174.996 176.117 0.167 0.000 1.161 230 I CA -0.136 61.297 61.300 0.222 0.000 1.032 230 I CB 2.414 40.496 38.000 0.136 0.000 1.244 230 I HN 0.605 nan 8.210 nan 0.000 0.421 231 T N 6.325 121.003 114.554 0.208 0.000 2.786 231 T HA 0.444 4.800 4.350 0.011 0.000 0.283 231 T C -0.697 173.792 174.700 -0.351 0.000 0.992 231 T CA -0.353 61.717 62.100 -0.050 0.000 0.954 231 T CB 1.442 70.275 68.868 -0.058 0.000 0.934 231 T HN 0.265 nan 8.240 nan 0.000 0.440 232 V N 5.167 124.815 119.914 -0.443 0.000 2.350 232 V HA 0.469 4.596 4.120 0.011 0.000 0.276 232 V C -0.339 175.429 176.094 -0.545 0.000 1.028 232 V CA -0.782 61.262 62.300 -0.427 0.000 0.860 232 V CB -0.034 31.515 31.823 -0.457 0.000 0.990 232 V HN 0.701 nan 8.190 nan 0.000 0.453 233 F N 5.156 125.021 119.950 -0.141 0.000 2.362 233 F HA 0.508 5.043 4.527 0.012 0.000 0.311 233 F C -1.815 173.872 175.800 -0.188 0.000 1.161 233 F CA -2.491 55.335 58.000 -0.290 0.000 1.085 233 F CB 0.210 39.012 39.000 -0.329 0.000 1.311 233 F HN 0.295 nan 8.300 nan 0.000 0.524 234 P HA -0.026 nan 4.420 nan 0.000 0.264 234 P C -0.993 176.313 177.300 0.009 0.000 1.183 234 P CA -0.042 62.985 63.100 -0.123 0.000 0.763 234 P CB 0.185 31.729 31.700 -0.259 0.000 0.807 235 Q N 3.296 123.010 119.800 -0.144 0.000 2.492 235 Q HA 0.173 4.519 4.340 0.011 0.000 0.238 235 Q C -0.298 175.574 176.000 -0.213 0.000 1.045 235 Q CA -0.430 55.057 55.803 -0.527 0.000 0.934 235 Q CB 0.511 28.632 28.738 -1.029 0.000 1.276 235 Q HN 0.327 nan 8.270 nan 0.000 0.521 236 R N 0.179 120.546 120.500 -0.223 0.000 2.570 236 R HA 0.333 4.680 4.340 0.011 0.000 0.277 236 R C -0.603 175.632 176.300 -0.108 0.000 1.039 236 R CA 0.360 56.405 56.100 -0.093 0.000 1.065 236 R CB 0.473 30.716 30.300 -0.094 0.000 0.964 236 R HN 0.672 nan 8.270 nan 0.000 0.428 237 A N 4.772 127.572 122.820 -0.034 0.000 2.350 237 A HA 0.517 4.843 4.320 0.011 0.000 0.324 237 A C -2.346 175.231 177.584 -0.012 0.000 1.118 237 A CA -2.090 49.932 52.037 -0.024 0.000 0.783 237 A CB 0.991 20.007 19.000 0.027 0.000 1.236 237 A HN 0.441 nan 8.150 nan 0.000 0.457 238 P HA 0.246 nan 4.420 nan 0.000 0.258 238 P C 1.165 178.470 177.300 0.008 0.000 1.187 238 P CA 2.171 65.270 63.100 -0.000 0.000 0.767 238 P CB 0.475 32.180 31.700 0.009 0.000 0.770 239 G N 2.909 111.711 108.800 0.004 0.000 3.909 239 G HA2 -0.298 3.669 3.960 0.011 0.000 0.218 239 G HA3 -0.298 3.669 3.960 0.011 0.000 0.218 239 G C 0.589 175.492 174.900 0.005 0.000 1.404 239 G CA -0.132 44.972 45.100 0.007 0.000 0.905 239 G HN 0.750 nan 8.290 nan 0.000 0.589 240 R N 2.993 123.498 120.500 0.009 0.000 2.758 240 R HA 0.355 4.701 4.340 0.011 0.000 0.263 240 R C 1.241 177.537 176.300 -0.006 0.000 1.010 240 R CA 0.921 57.024 56.100 0.004 0.000 1.114 240 R CB -0.370 29.941 30.300 0.018 0.000 0.985 240 R HN 0.775 nan 8.270 nan 0.000 0.439 241 G N 1.686 110.471 108.800 -0.025 0.000 2.651 241 G HA2 0.050 4.016 3.960 0.011 0.000 0.260 241 G HA3 0.050 4.016 3.960 0.011 0.000 0.260 241 G C -0.695 174.181 174.900 -0.040 0.000 1.216 241 G CA -0.471 44.609 45.100 -0.032 0.000 0.913 241 G HN 0.635 nan 8.290 nan 0.000 0.535 242 D N -0.874 119.515 120.400 -0.018 0.000 2.229 242 D HA 0.382 5.029 4.640 0.011 0.000 0.249 242 D C -0.439 175.861 176.300 -0.001 0.000 1.027 242 D CA -0.064 53.955 54.000 0.031 0.000 0.923 242 D CB 1.297 42.132 40.800 0.059 0.000 1.174 242 D HN 0.073 nan 8.370 nan 0.000 0.443 243 F N 1.273 121.247 119.950 0.041 0.000 2.412 243 F HA 0.359 4.893 4.527 0.012 0.000 0.348 243 F C 1.106 176.936 175.800 0.050 0.000 1.102 243 F CA 0.103 58.117 58.000 0.024 0.000 1.196 243 F CB 0.756 39.766 39.000 0.017 0.000 1.144 243 F HN -0.145 nan 8.300 nan 0.000 0.541 244 R N 4.025 124.650 120.500 0.209 0.000 2.604 244 R HA 0.498 4.844 4.340 0.011 0.000 0.270 244 R C -1.570 174.883 176.300 0.255 0.000 1.052 244 R CA -0.905 55.333 56.100 0.230 0.000 0.902 244 R CB 2.535 32.982 30.300 0.246 0.000 1.233 244 R HN 0.567 nan 8.270 nan 0.000 0.455 245 I N 1.788 122.497 120.570 0.232 0.000 2.330 245 I HA 0.152 4.329 4.170 0.011 0.000 0.289 245 I C 0.454 176.788 176.117 0.362 0.000 1.001 245 I CA -0.435 60.998 61.300 0.223 0.000 1.193 245 I CB 1.056 39.127 38.000 0.119 0.000 1.345 245 I HN 0.573 nan 8.210 nan 0.000 0.461 246 W N 3.471 124.817 121.300 0.077 0.000 2.418 246 W HA -0.065 4.601 4.660 0.010 0.000 0.292 246 W C 0.975 177.608 176.519 0.189 0.000 1.213 246 W CA 0.112 57.569 57.345 0.187 0.000 1.283 246 W CB -0.820 28.734 29.460 0.156 0.000 1.119 246 W HN 0.405 nan 8.180 nan 0.000 0.542 247 N N 0.164 119.035 118.700 0.285 0.000 2.441 247 N HA -0.002 4.744 4.740 0.011 0.000 0.251 247 N C 1.319 176.895 175.510 0.110 0.000 1.242 247 N CA 0.893 54.030 53.050 0.145 0.000 0.898 247 N CB 0.665 39.174 38.487 0.036 0.000 1.100 247 N HN -0.080 nan 8.380 nan 0.000 0.443 248 S N 0.664 116.418 115.700 0.091 0.000 2.428 248 S HA -0.037 4.439 4.470 0.011 0.000 0.230 248 S C 0.331 174.928 174.600 -0.005 0.000 1.014 248 S CA 0.667 58.904 58.200 0.062 0.000 0.957 248 S CB 0.054 63.307 63.200 0.090 0.000 0.784 248 S HN 0.653 nan 8.310 nan 0.000 0.499 249 Q N -0.790 118.991 119.800 -0.031 0.000 2.456 249 Q HA 0.502 4.848 4.340 0.011 0.000 0.284 249 Q C 0.171 176.086 176.000 -0.143 0.000 1.061 249 Q CA -0.591 55.152 55.803 -0.100 0.000 0.799 249 Q CB 1.894 30.599 28.738 -0.054 0.000 1.445 249 Q HN 0.112 nan 8.270 nan 0.000 0.411 250 L N 0.067 121.179 121.223 -0.186 0.000 2.201 250 L HA 0.032 4.379 4.340 0.011 0.000 0.212 250 L C 0.362 177.078 176.870 -0.255 0.000 1.105 250 L CA 0.792 55.523 54.840 -0.182 0.000 0.775 250 L CB 0.126 42.075 42.059 -0.183 0.000 0.913 250 L HN 0.252 nan 8.230 nan 0.000 0.440 251 V N 0.919 120.583 119.914 -0.417 0.000 2.444 251 V HA 0.486 4.612 4.120 0.011 0.000 0.294 251 V C -0.250 175.322 176.094 -0.870 0.000 1.022 251 V CA -0.681 61.190 62.300 -0.715 0.000 0.850 251 V CB 1.708 32.895 31.823 -1.060 0.000 0.992 251 V HN 0.164 nan 8.190 nan 0.000 0.426 252 R N 2.808 122.937 120.500 -0.618 0.000 2.668 252 R HA 0.499 4.845 4.340 0.011 0.000 0.272 252 R C -1.835 174.264 176.300 -0.336 0.000 1.019 252 R CA -0.791 55.079 56.100 -0.384 0.000 0.894 252 R CB 2.504 32.713 30.300 -0.151 0.000 1.228 252 R HN 0.571 nan 8.270 nan 0.000 0.460 253 Y N 0.408 120.708 120.300 0.001 0.000 2.308 253 Y HA 0.429 4.986 4.550 0.011 0.000 0.329 253 Y C 0.964 176.828 175.900 -0.061 0.000 1.111 253 Y CA -0.571 57.536 58.100 0.012 0.000 1.179 253 Y CB 1.227 39.763 38.460 0.126 0.000 1.201 253 Y HN 0.685 nan 8.280 nan 0.000 0.483 254 A N 1.747 124.588 122.820 0.036 0.000 2.466 254 A HA 0.528 4.855 4.320 0.011 0.000 0.238 254 A C 0.605 177.957 177.584 -0.386 0.000 1.074 254 A CA 0.313 52.206 52.037 -0.241 0.000 0.774 254 A CB -0.253 18.514 19.000 -0.388 0.000 1.015 254 A HN 0.946 nan 8.150 nan 0.000 0.498 255 G N 0.456 109.019 108.800 -0.394 0.000 2.675 255 G HA2 0.540 4.506 3.960 0.011 0.000 0.297 255 G HA3 0.540 4.506 3.960 0.011 0.000 0.297 255 G C -1.048 173.698 174.900 -0.256 0.000 1.399 255 G CA -0.266 44.662 45.100 -0.287 0.000 0.981 255 G HN 0.564 nan 8.290 nan 0.000 0.519 256 Y N 1.799 122.112 120.300 0.023 0.000 2.385 256 Y HA 0.403 4.960 4.550 0.011 0.000 0.341 256 Y C 0.944 176.845 175.900 0.002 0.000 0.965 256 Y CA -1.123 56.991 58.100 0.024 0.000 1.180 256 Y CB 1.377 39.848 38.460 0.018 0.000 1.139 256 Y HN 0.531 nan 8.280 nan 0.000 0.502 257 R N 3.074 123.663 120.500 0.149 0.000 2.522 257 R HA 0.057 4.403 4.340 0.011 0.000 0.284 257 R C -0.434 175.909 176.300 0.072 0.000 1.032 257 R CA 0.143 56.292 56.100 0.081 0.000 1.049 257 R CB 0.371 30.708 30.300 0.062 0.000 0.956 257 R HN 0.566 nan 8.270 nan 0.000 0.422 258 Q N 2.742 122.570 119.800 0.047 0.000 2.195 258 Q HA 0.108 4.455 4.340 0.011 0.000 0.250 258 Q C 0.622 176.632 176.000 0.016 0.000 0.988 258 Q CA -0.533 55.287 55.803 0.028 0.000 0.911 258 Q CB 1.164 29.915 28.738 0.023 0.000 1.258 258 Q HN 0.713 nan 8.270 nan 0.000 0.475 259 Q N 0.509 120.312 119.800 0.006 0.000 2.050 259 Q HA -0.207 4.139 4.340 0.011 0.000 0.202 259 Q C 0.870 176.872 176.000 0.004 0.000 0.980 259 Q CA 1.938 57.742 55.803 0.002 0.000 0.840 259 Q CB -0.015 28.720 28.738 -0.005 0.000 0.898 259 Q HN 0.659 nan 8.270 nan 0.000 0.424 260 D N -1.231 119.171 120.400 0.004 0.000 2.392 260 D HA -0.013 4.634 4.640 0.011 0.000 0.228 260 D C 1.052 177.357 176.300 0.008 0.000 1.003 260 D CA 0.944 54.947 54.000 0.005 0.000 0.917 260 D CB -0.173 40.629 40.800 0.003 0.000 0.890 260 D HN 0.381 nan 8.370 nan 0.000 0.532 261 G N -0.378 108.429 108.800 0.011 0.000 2.199 261 G HA2 -0.324 3.643 3.960 0.011 0.000 0.254 261 G HA3 -0.324 3.643 3.960 0.011 0.000 0.254 261 G C 0.635 175.544 174.900 0.015 0.000 0.982 261 G CA 0.543 45.651 45.100 0.014 0.000 0.632 261 G HN 0.835 nan 8.290 nan 0.000 0.529 262 S N -1.014 114.694 115.700 0.013 0.000 2.625 262 S HA 0.741 5.218 4.470 0.011 0.000 0.262 262 S C 0.128 174.735 174.600 0.012 0.000 1.223 262 S CA 0.107 58.314 58.200 0.011 0.000 0.993 262 S CB 2.052 65.257 63.200 0.008 0.000 1.051 262 S HN 1.151 nan 8.310 nan 0.000 0.562 263 V N 0.663 120.576 119.914 -0.001 0.000 2.709 263 V HA 0.559 4.686 4.120 0.011 0.000 0.308 263 V C -0.225 175.854 176.094 -0.025 0.000 1.062 263 V CA -0.800 61.495 62.300 -0.008 0.000 0.901 263 V CB 1.725 33.523 31.823 -0.042 0.000 1.003 263 V HN 0.915 nan 8.190 nan 0.000 0.425 264 R N 2.455 122.969 120.500 0.023 0.000 2.295 264 R HA 0.693 5.040 4.340 0.011 0.000 0.324 264 R C 0.489 176.767 176.300 -0.037 0.000 0.968 264 R CA 0.854 56.971 56.100 0.029 0.000 0.837 264 R CB 1.208 31.587 30.300 0.132 0.000 1.133 264 R HN 1.224 nan 8.270 nan 0.000 0.450 265 G N 2.906 111.594 108.800 -0.186 0.000 2.445 265 G HA2 -0.239 3.727 3.960 0.011 0.000 0.212 265 G HA3 -0.239 3.727 3.960 0.011 0.000 0.212 265 G C -1.351 173.186 174.900 -0.605 0.000 1.217 265 G CA -0.176 44.738 45.100 -0.311 0.000 1.002 265 G HN 0.614 nan 8.290 nan 0.000 0.574 266 D N 1.595 121.760 120.400 -0.391 0.000 2.359 266 D HA 0.567 5.214 4.640 0.011 0.000 0.230 266 D C -1.027 175.166 176.300 -0.180 0.000 1.118 266 D CA -1.978 51.805 54.000 -0.362 0.000 0.844 266 D CB 1.517 42.401 40.800 0.141 0.000 1.059 266 D HN -0.017 nan 8.370 nan 0.000 0.493 267 P HA -0.101 nan 4.420 nan 0.000 0.219 267 P C 0.907 178.211 177.300 0.006 0.000 1.146 267 P CA 0.930 63.988 63.100 -0.069 0.000 0.808 267 P CB 0.265 31.937 31.700 -0.048 0.000 0.779 268 A N -0.402 122.440 122.820 0.037 0.000 2.067 268 A HA -0.131 4.195 4.320 0.011 0.000 0.219 268 A C 1.559 179.193 177.584 0.083 0.000 1.158 268 A CA 1.363 53.454 52.037 0.090 0.000 0.661 268 A CB -0.880 18.198 19.000 0.132 0.000 0.801 268 A HN 0.166 nan 8.150 nan 0.000 0.452 269 N N -0.317 118.415 118.700 0.053 0.000 2.273 269 N HA 0.158 4.904 4.740 0.011 0.000 0.231 269 N C 0.995 176.503 175.510 -0.004 0.000 1.134 269 N CA 0.100 53.170 53.050 0.033 0.000 0.856 269 N CB 0.698 39.201 38.487 0.026 0.000 1.068 269 N HN 0.192 nan 8.380 nan 0.000 0.510 270 V N 0.966 120.883 119.914 0.005 0.000 2.295 270 V HA -0.231 3.896 4.120 0.011 0.000 0.246 270 V C 2.454 178.552 176.094 0.007 0.000 1.049 270 V CA 1.830 64.132 62.300 0.003 0.000 1.024 270 V CB -0.214 31.620 31.823 0.018 0.000 0.648 270 V HN 0.391 nan 8.190 nan 0.000 0.447 271 E N -0.299 119.910 120.200 0.015 0.000 2.047 271 E HA -0.247 4.110 4.350 0.011 0.000 0.191 271 E C 2.135 178.660 176.600 -0.125 0.000 0.987 271 E CA 1.618 58.003 56.400 -0.024 0.000 0.799 271 E CB -0.166 29.565 29.700 0.051 0.000 0.752 271 E HN 0.493 nan 8.360 nan 0.000 0.449 272 I N 0.805 121.317 120.570 -0.096 0.000 2.394 272 I HA -0.188 3.989 4.170 0.011 0.000 0.251 272 I C 1.992 178.057 176.117 -0.086 0.000 1.136 272 I CA 1.474 62.690 61.300 -0.141 0.000 1.425 272 I CB -0.339 37.637 38.000 -0.040 0.000 1.079 272 I HN 0.080 nan 8.210 nan 0.000 0.425 273 T N 0.529 115.059 114.554 -0.040 0.000 2.708 273 T HA -0.161 4.196 4.350 0.011 0.000 0.266 273 T C 1.720 176.491 174.700 0.118 0.000 1.037 273 T CA 1.816 63.934 62.100 0.029 0.000 1.146 273 T CB -0.254 68.625 68.868 0.019 0.000 0.865 273 T HN 0.483 nan 8.240 nan 0.000 0.435 274 E N 0.859 121.097 120.200 0.063 0.000 2.077 274 E HA -0.045 4.311 4.350 0.011 0.000 0.193 274 E C 2.268 178.898 176.600 0.050 0.000 0.989 274 E CA 0.788 57.229 56.400 0.068 0.000 0.800 274 E CB -0.323 29.392 29.700 0.025 0.000 0.746 274 E HN 0.401 nan 8.360 nan 0.000 0.452 275 L N 0.499 121.712 121.223 -0.016 0.000 2.079 275 L HA -0.236 4.110 4.340 0.011 0.000 0.210 275 L C 2.604 179.575 176.870 0.169 0.000 1.081 275 L CA 0.806 55.667 54.840 0.036 0.000 0.752 275 L CB -0.398 41.591 42.059 -0.116 0.000 0.896 275 L HN 0.320 nan 8.230 nan 0.000 0.433 276 C N -0.202 119.160 119.300 0.103 0.000 2.425 276 C HA -0.137 4.329 4.460 0.011 0.000 0.277 276 C C 2.711 177.875 174.990 0.290 0.000 1.280 276 C CA 0.445 59.542 59.018 0.131 0.000 1.744 276 C CB -0.601 27.127 27.740 -0.020 0.000 1.989 276 C HN 0.423 nan 8.230 nan 0.000 0.491 277 I N 0.461 121.213 120.570 0.303 0.000 2.202 277 I HA -0.255 3.922 4.170 0.011 0.000 0.242 277 I C 2.590 178.764 176.117 0.095 0.000 1.091 277 I CA 1.528 62.964 61.300 0.227 0.000 1.368 277 I CB -0.665 37.437 38.000 0.170 0.000 1.058 277 I HN 0.434 nan 8.210 nan 0.000 0.410 278 Q N -0.145 119.680 119.800 0.042 0.000 2.297 278 Q HA -0.185 4.162 4.340 0.011 0.000 0.208 278 Q C 1.165 177.030 176.000 -0.226 0.000 0.981 278 Q CA 0.952 56.699 55.803 -0.094 0.000 0.876 278 Q CB -0.112 28.544 28.738 -0.136 0.000 0.921 278 Q HN 0.618 nan 8.270 nan 0.000 0.446 279 H N -1.543 117.520 119.070 -0.011 0.000 2.505 279 H HA 0.203 4.766 4.556 0.011 0.000 0.289 279 H C 0.921 176.230 175.328 -0.032 0.000 1.052 279 H CA 0.682 56.699 56.048 -0.052 0.000 1.156 279 H CB 1.028 30.718 29.762 -0.119 0.000 1.507 279 H HN 0.439 nan 8.280 nan 0.000 0.548 280 G N 0.842 109.681 108.800 0.065 0.000 2.176 280 G HA2 -0.241 3.725 3.960 0.011 0.000 0.232 280 G HA3 -0.241 3.725 3.960 0.011 0.000 0.232 280 G C -0.102 174.864 174.900 0.111 0.000 0.986 280 G CA -0.007 45.121 45.100 0.047 0.000 0.643 280 G HN 0.393 nan 8.290 nan 0.000 0.522 281 W N 2.583 123.866 121.300 -0.029 0.000 2.287 281 W HA 0.650 5.317 4.660 0.011 0.000 0.313 281 W C 0.252 176.766 176.519 -0.008 0.000 1.267 281 W CA 0.087 57.418 57.345 -0.023 0.000 1.201 281 W CB 0.825 30.282 29.460 -0.006 0.000 1.196 281 W HN 0.045 nan 8.180 nan 0.000 0.536 282 T N 9.771 123.979 114.554 -0.576 0.000 2.723 282 T HA 0.185 4.542 4.350 0.011 0.000 0.297 282 T C -2.082 171.854 174.700 -1.274 0.000 0.925 282 T CA -0.877 60.839 62.100 -0.641 0.000 1.030 282 T CB 0.431 69.075 68.868 -0.373 0.000 0.905 282 T HN 0.248 nan 8.240 nan 0.000 0.502 283 P HA 0.249 nan 4.420 nan 0.000 0.271 283 P C 0.416 177.313 177.300 -0.672 0.000 1.218 283 P CA -0.230 62.167 63.100 -1.172 0.000 0.780 283 P CB 0.908 32.307 31.700 -0.502 0.000 0.901 284 G N 1.776 110.349 108.800 -0.379 0.000 2.574 284 G HA2 0.315 4.282 3.960 0.011 0.000 0.248 284 G HA3 0.315 4.282 3.960 0.011 0.000 0.248 284 G C 0.092 174.732 174.900 -0.434 0.000 1.422 284 G CA -0.579 44.416 45.100 -0.175 0.000 1.051 284 G HN 0.687 nan 8.290 nan 0.000 0.560 285 N N -1.871 116.700 118.700 -0.215 0.000 2.381 285 N HA 0.288 5.034 4.740 0.011 0.000 0.257 285 N C 0.291 175.812 175.510 0.018 0.000 1.409 285 N CA 0.131 52.999 53.050 -0.303 0.000 0.836 285 N CB 0.631 38.968 38.487 -0.250 0.000 1.384 285 N HN 0.689 nan 8.380 nan 0.000 0.490 286 G N 0.043 108.966 108.800 0.204 0.000 2.557 286 G HA2 0.349 4.316 3.960 0.011 0.000 0.302 286 G HA3 0.349 4.316 3.960 0.011 0.000 0.302 286 G C 0.384 175.386 174.900 0.171 0.000 1.311 286 G CA -0.839 44.369 45.100 0.180 0.000 1.030 286 G HN 0.153 nan 8.290 nan 0.000 0.509 287 R N -1.366 119.135 120.500 0.001 0.000 2.254 287 R HA 0.155 4.501 4.340 0.011 0.000 0.195 287 R C -0.208 175.641 176.300 -0.753 0.000 0.957 287 R CA 0.568 56.472 56.100 -0.326 0.000 1.024 287 R CB 0.216 30.232 30.300 -0.473 0.000 0.952 287 R HN 0.381 nan 8.270 nan 0.000 0.484 288 F N 0.900 120.812 119.950 -0.063 0.000 2.577 288 F HA 0.259 4.792 4.527 0.011 0.000 0.342 288 F C -0.740 175.056 175.800 -0.007 0.000 1.479 288 F CA -1.100 56.631 58.000 -0.449 0.000 1.110 288 F CB 0.692 39.215 39.000 -0.794 0.000 1.306 288 F HN -0.281 nan 8.300 nan 0.000 0.554 289 D N 1.683 122.262 120.400 0.299 0.000 2.295 289 D HA 0.202 4.848 4.640 0.011 0.000 0.248 289 D C 0.199 176.739 176.300 0.401 0.000 1.154 289 D CA 0.084 54.314 54.000 0.383 0.000 0.857 289 D CB 2.258 43.341 40.800 0.471 0.000 1.117 289 D HN -0.045 nan 8.370 nan 0.000 0.468 290 V N 3.809 123.921 119.914 0.330 0.000 2.529 290 V HA 0.003 4.129 4.120 0.011 0.000 0.292 290 V C 1.014 177.089 176.094 -0.033 0.000 1.028 290 V CA -0.210 62.157 62.300 0.111 0.000 1.074 290 V CB 0.237 32.090 31.823 0.049 0.000 0.958 290 V HN 0.337 nan 8.190 nan 0.000 0.481 291 L N 8.003 129.106 121.223 -0.199 0.000 2.453 291 L HA 0.397 4.744 4.340 0.011 0.000 0.261 291 L C -1.698 174.911 176.870 -0.435 0.000 1.179 291 L CA -1.396 53.169 54.840 -0.457 0.000 0.813 291 L CB 1.067 42.886 42.059 -0.399 0.000 1.110 291 L HN 0.492 nan 8.230 nan 0.000 0.466 292 P HA 0.292 nan 4.420 nan 0.000 0.280 292 P C -1.253 175.885 177.300 -0.269 0.000 1.272 292 P CA -0.578 62.278 63.100 -0.407 0.000 0.819 292 P CB 1.178 32.541 31.700 -0.563 0.000 1.122 293 L N 0.716 121.869 121.223 -0.116 0.000 2.307 293 L HA 0.422 4.768 4.340 0.011 0.000 0.282 293 L C 0.411 177.251 176.870 -0.050 0.000 1.051 293 L CA -0.823 53.992 54.840 -0.042 0.000 0.804 293 L CB 0.811 42.911 42.059 0.068 0.000 1.197 293 L HN 0.205 nan 8.230 nan 0.000 0.431 294 L N 4.961 126.132 121.223 -0.086 0.000 2.277 294 L HA 0.459 4.806 4.340 0.011 0.000 0.284 294 L C -0.670 176.087 176.870 -0.189 0.000 1.028 294 L CA -0.256 54.437 54.840 -0.245 0.000 0.835 294 L CB 0.919 42.738 42.059 -0.401 0.000 1.215 294 L HN 0.445 nan 8.230 nan 0.000 0.425 295 L N 4.111 125.271 121.223 -0.104 0.000 2.307 295 L HA 0.503 4.849 4.340 0.011 0.000 0.284 295 L C -0.291 176.507 176.870 -0.119 0.000 1.023 295 L CA -0.420 54.389 54.840 -0.051 0.000 0.810 295 L CB 1.793 43.849 42.059 -0.005 0.000 1.231 295 L HN 0.560 nan 8.230 nan 0.000 0.423 296 Q N 2.496 122.254 119.800 -0.070 0.000 2.327 296 Q HA 0.676 5.022 4.340 0.011 0.000 0.270 296 Q C -1.043 174.897 176.000 -0.100 0.000 1.022 296 Q CA -0.508 55.253 55.803 -0.069 0.000 0.773 296 Q CB 2.100 30.894 28.738 0.094 0.000 1.251 296 Q HN 0.793 nan 8.270 nan 0.000 0.457 297 A N 4.870 127.579 122.820 -0.184 0.000 2.264 297 A HA 0.690 5.016 4.320 0.011 0.000 0.304 297 A C -2.451 174.863 177.584 -0.450 0.000 1.100 297 A CA -1.735 50.037 52.037 -0.441 0.000 0.839 297 A CB 0.226 19.072 19.000 -0.255 0.000 1.121 297 A HN 0.637 nan 8.150 nan 0.000 0.496 298 P HA 0.041 nan 4.420 nan 0.000 0.260 298 P C -0.657 176.534 177.300 -0.180 0.000 1.172 298 P CA 0.809 63.685 63.100 -0.374 0.000 0.760 298 P CB 0.117 31.595 31.700 -0.370 0.000 0.773 299 D N 0.244 120.585 120.400 -0.099 0.000 2.911 299 D HA -0.195 4.452 4.640 0.011 0.000 0.227 299 D C -0.148 176.132 176.300 -0.034 0.000 1.164 299 D CA 1.306 55.280 54.000 -0.044 0.000 0.782 299 D CB -0.731 40.049 40.800 -0.034 0.000 1.094 299 D HN 0.571 nan 8.370 nan 0.000 0.425 300 E N -0.709 119.462 120.200 -0.048 0.000 2.299 300 E HA 0.669 5.025 4.350 0.011 0.000 0.265 300 E C -0.148 176.434 176.600 -0.030 0.000 0.911 300 E CA -0.835 55.541 56.400 -0.040 0.000 0.789 300 E CB 1.713 31.375 29.700 -0.062 0.000 1.246 300 E HN 0.142 nan 8.360 nan 0.000 0.427 301 A N 2.537 125.338 122.820 -0.032 0.000 2.386 301 A HA 0.349 4.675 4.320 0.011 0.000 0.248 301 A C -2.109 175.370 177.584 -0.175 0.000 1.082 301 A CA -1.050 50.959 52.037 -0.048 0.000 0.789 301 A CB -0.325 18.669 19.000 -0.010 0.000 1.025 301 A HN 0.340 nan 8.150 nan 0.000 0.490 302 P HA 0.146 nan 4.420 nan 0.000 0.269 302 P C -0.614 176.415 177.300 -0.450 0.000 1.209 302 P CA 0.239 62.968 63.100 -0.618 0.000 0.776 302 P CB 0.699 31.530 31.700 -1.449 0.000 0.876 303 E N 0.749 120.769 120.200 -0.301 0.000 2.207 303 E HA 0.444 4.800 4.350 0.011 0.000 0.270 303 E C -0.808 175.575 176.600 -0.362 0.000 0.927 303 E CA -1.066 55.161 56.400 -0.287 0.000 0.799 303 E CB 1.449 31.054 29.700 -0.158 0.000 1.172 303 E HN 0.288 nan 8.360 nan 0.000 0.404 304 L N 3.115 124.014 121.223 -0.539 0.000 2.289 304 L HA 0.484 4.830 4.340 0.011 0.000 0.285 304 L C -1.617 174.769 176.870 -0.808 0.000 1.049 304 L CA 0.048 54.608 54.840 -0.467 0.000 0.804 304 L CB 0.314 42.199 42.059 -0.290 0.000 1.195 304 L HN 0.403 nan 8.230 nan 0.000 0.428 305 F N 4.341 124.076 119.950 -0.357 0.000 2.561 305 F HA 0.505 5.040 4.527 0.012 0.000 0.313 305 F C -0.271 175.291 175.800 -0.398 0.000 1.126 305 F CA -0.962 56.695 58.000 -0.572 0.000 0.918 305 F CB 1.969 40.272 39.000 -1.162 0.000 1.199 305 F HN 0.294 nan 8.300 nan 0.000 0.444 306 V N 3.700 123.532 119.914 -0.137 0.000 2.427 306 V HA 0.619 4.745 4.120 0.011 0.000 0.286 306 V C -0.473 175.706 176.094 0.142 0.000 1.034 306 V CA -0.720 61.575 62.300 -0.008 0.000 0.893 306 V CB 1.289 33.139 31.823 0.046 0.000 0.982 306 V HN 0.678 nan 8.190 nan 0.000 0.452 307 L N 6.776 128.108 121.223 0.183 0.000 2.410 307 L HA 0.374 4.720 4.340 0.011 0.000 0.273 307 L C -2.001 174.972 176.870 0.171 0.000 1.152 307 L CA -1.375 53.615 54.840 0.250 0.000 0.855 307 L CB 0.510 42.645 42.059 0.126 0.000 1.129 307 L HN 0.509 nan 8.230 nan 0.000 0.463 308 P HA 0.072 nan 4.420 nan 0.000 0.267 308 P C -1.978 175.371 177.300 0.082 0.000 1.209 308 P CA -0.921 62.250 63.100 0.119 0.000 0.763 308 P CB 0.433 32.195 31.700 0.103 0.000 0.816 309 P HA -0.275 nan 4.420 nan 0.000 0.218 309 P C 1.337 178.666 177.300 0.049 0.000 1.154 309 P CA 1.549 64.689 63.100 0.067 0.000 0.872 309 P CB -0.221 31.520 31.700 0.070 0.000 0.790 310 E N -0.361 119.865 120.200 0.043 0.000 2.219 310 E HA -0.175 4.182 4.350 0.011 0.000 0.198 310 E C 1.658 178.272 176.600 0.023 0.000 0.998 310 E CA 1.044 57.462 56.400 0.030 0.000 0.818 310 E CB -1.075 28.640 29.700 0.026 0.000 0.741 310 E HN 0.284 nan 8.360 nan 0.000 0.477 311 L N 1.026 122.263 121.223 0.024 0.000 2.446 311 L HA 0.103 4.449 4.340 0.011 0.000 0.219 311 L C 0.496 177.376 176.870 0.017 0.000 1.116 311 L CA -0.053 54.795 54.840 0.014 0.000 0.844 311 L CB 0.645 42.704 42.059 -0.001 0.000 0.970 311 L HN -0.005 nan 8.230 nan 0.000 0.457 312 V N 2.162 122.090 119.914 0.022 0.000 2.284 312 V HA 0.135 4.261 4.120 0.011 0.000 0.260 312 V C 0.097 176.215 176.094 0.040 0.000 1.084 312 V CA -0.552 61.760 62.300 0.019 0.000 0.894 312 V CB 1.060 32.884 31.823 0.002 0.000 1.119 312 V HN 0.058 nan 8.190 nan 0.000 0.484 313 L N 5.372 126.623 121.223 0.047 0.000 2.462 313 L HA 0.341 4.688 4.340 0.011 0.000 0.272 313 L C 0.264 177.166 176.870 0.053 0.000 1.166 313 L CA 0.952 55.813 54.840 0.036 0.000 0.880 313 L CB 0.184 42.260 42.059 0.029 0.000 1.142 313 L HN 0.644 nan 8.230 nan 0.000 0.473 314 E N 3.131 123.341 120.200 0.016 0.000 2.299 314 E HA 0.618 4.974 4.350 0.011 0.000 0.265 314 E C -1.460 175.078 176.600 -0.104 0.000 0.911 314 E CA -1.022 55.384 56.400 0.010 0.000 0.789 314 E CB 2.437 32.174 29.700 0.062 0.000 1.246 314 E HN 0.359 nan 8.360 nan 0.000 0.427 315 V N 2.834 122.653 119.914 -0.158 0.000 2.409 315 V HA 0.307 4.434 4.120 0.011 0.000 0.290 315 V C -2.474 173.547 176.094 -0.121 0.000 1.017 315 V CA -1.944 60.204 62.300 -0.255 0.000 0.841 315 V CB 1.402 32.825 31.823 -0.666 0.000 1.003 315 V HN 0.523 nan 8.190 nan 0.000 0.426 316 P HA 0.321 nan 4.420 nan 0.000 0.276 316 P C -0.605 176.698 177.300 0.006 0.000 1.230 316 P CA -0.199 62.867 63.100 -0.057 0.000 0.776 316 P CB 0.642 32.316 31.700 -0.042 0.000 0.888 317 L N 3.541 124.802 121.223 0.063 0.000 2.305 317 L HA 0.425 4.772 4.340 0.011 0.000 0.281 317 L C 1.055 178.088 176.870 0.271 0.000 1.085 317 L CA -0.063 54.887 54.840 0.183 0.000 0.813 317 L CB 0.387 42.625 42.059 0.297 0.000 1.157 317 L HN 0.499 nan 8.230 nan 0.000 0.436 318 E N 2.187 122.523 120.200 0.227 0.000 2.416 318 E HA 0.416 4.773 4.350 0.011 0.000 0.273 318 E C -1.373 175.283 176.600 0.092 0.000 0.935 318 E CA -0.937 55.609 56.400 0.243 0.000 0.784 318 E CB 2.294 32.102 29.700 0.179 0.000 1.301 318 E HN 0.491 nan 8.360 nan 0.000 0.454 319 H N 1.394 120.363 119.070 -0.167 0.000 2.492 319 H HA 0.254 4.817 4.556 0.011 0.000 0.345 319 H C -1.820 173.218 175.328 -0.483 0.000 1.136 319 H CA -2.325 53.455 56.048 -0.446 0.000 1.202 319 H CB 2.100 31.482 29.762 -0.634 0.000 1.524 319 H HN 0.425 nan 8.280 nan 0.000 0.506 320 P HA -0.135 nan 4.420 nan 0.000 0.218 320 P C 0.927 178.052 177.300 -0.292 0.000 1.148 320 P CA 1.897 64.477 63.100 -0.867 0.000 0.822 320 P CB 0.444 31.610 31.700 -0.889 0.000 0.784 321 T N -4.248 110.305 114.554 -0.002 0.000 3.028 321 T HA 0.189 4.546 4.350 0.011 0.000 0.250 321 T C 0.967 175.624 174.700 -0.071 0.000 0.979 321 T CA -0.242 61.860 62.100 0.003 0.000 1.004 321 T CB -0.676 68.206 68.868 0.023 0.000 1.120 321 T HN -0.067 nan 8.240 nan 0.000 0.482 322 L N 2.961 124.063 121.223 -0.202 0.000 2.462 322 L HA 0.314 4.661 4.340 0.011 0.000 0.283 322 L C 1.307 177.795 176.870 -0.637 0.000 1.166 322 L CA -0.213 54.212 54.840 -0.692 0.000 0.964 322 L CB 0.232 41.471 42.059 -1.367 0.000 1.294 322 L HN 0.304 nan 8.230 nan 0.000 0.449 323 E N 3.295 123.288 120.200 -0.345 0.000 2.209 323 E HA -0.211 4.145 4.350 0.011 0.000 0.196 323 E C 1.554 178.107 176.600 -0.079 0.000 0.993 323 E CA 1.504 57.819 56.400 -0.141 0.000 0.819 323 E CB 0.010 29.704 29.700 -0.011 0.000 0.745 323 E HN 0.827 nan 8.360 nan 0.000 0.477 324 W N -0.157 121.191 121.300 0.079 0.000 2.595 324 W HA 0.002 4.668 4.660 0.011 0.000 0.257 324 W C 1.460 178.029 176.519 0.084 0.000 1.267 324 W CA -0.243 57.139 57.345 0.061 0.000 1.300 324 W CB -0.853 28.622 29.460 0.025 0.000 1.120 324 W HN -0.054 nan 8.180 nan 0.000 0.618 325 F N 2.992 122.731 119.950 -0.353 0.000 2.126 325 F HA -0.157 4.376 4.527 0.011 0.000 0.299 325 F C 2.723 178.556 175.800 0.055 0.000 1.096 325 F CA 3.035 60.949 58.000 -0.143 0.000 1.255 325 F CB -0.552 38.225 39.000 -0.372 0.000 0.997 325 F HN -0.077 nan 8.300 nan 0.000 0.479 326 A N 0.063 123.015 122.820 0.219 0.000 1.978 326 A HA -0.152 4.174 4.320 0.011 0.000 0.220 326 A C 2.283 179.926 177.584 0.097 0.000 1.170 326 A CA 1.635 53.768 52.037 0.159 0.000 0.636 326 A CB -1.448 17.624 19.000 0.120 0.000 0.810 326 A HN 0.454 nan 8.150 nan 0.000 0.448 327 A N -0.506 122.382 122.820 0.113 0.000 2.121 327 A HA 0.112 4.438 4.320 0.011 0.000 0.218 327 A C 1.892 179.510 177.584 0.057 0.000 1.154 327 A CA 1.048 53.141 52.037 0.094 0.000 0.679 327 A CB -0.526 18.552 19.000 0.130 0.000 0.795 327 A HN 0.498 nan 8.150 nan 0.000 0.458 328 L N -1.080 120.149 121.223 0.009 0.000 2.465 328 L HA 0.055 4.401 4.340 0.011 0.000 0.224 328 L C 1.762 178.637 176.870 0.007 0.000 1.145 328 L CA 0.546 55.364 54.840 -0.037 0.000 0.834 328 L CB -0.565 41.371 42.059 -0.206 0.000 0.944 328 L HN 0.553 nan 8.230 nan 0.000 0.451 329 G N 0.893 109.701 108.800 0.012 0.000 2.225 329 G HA2 -0.287 3.679 3.960 0.011 0.000 0.267 329 G HA3 -0.287 3.679 3.960 0.011 0.000 0.267 329 G C 0.169 175.051 174.900 -0.029 0.000 1.024 329 G CA 0.057 45.170 45.100 0.022 0.000 0.784 329 G HN 0.260 nan 8.290 nan 0.000 0.507 330 L N -0.487 120.693 121.223 -0.070 0.000 2.421 330 L HA 0.830 5.177 4.340 0.011 0.000 0.263 330 L C 1.099 177.753 176.870 -0.360 0.000 1.122 330 L CA -0.677 54.043 54.840 -0.199 0.000 0.804 330 L CB 0.986 43.037 42.059 -0.013 0.000 1.150 330 L HN 0.584 nan 8.230 nan 0.000 0.457 331 R N 0.704 120.798 120.500 -0.676 0.000 2.728 331 R HA 0.465 4.811 4.340 0.011 0.000 0.274 331 R C -2.213 173.996 176.300 -0.152 0.000 1.030 331 R CA -1.004 54.863 56.100 -0.389 0.000 0.876 331 R CB 1.626 31.643 30.300 -0.471 0.000 1.259 331 R HN 0.671 nan 8.270 nan 0.000 0.468 332 W N 1.423 122.667 121.300 -0.094 0.000 3.137 332 W HA 0.356 5.022 4.660 0.010 0.000 0.324 332 W C -1.264 175.341 176.519 0.144 0.000 1.253 332 W CA -0.942 56.447 57.345 0.074 0.000 1.183 332 W CB 1.924 31.353 29.460 -0.052 0.000 1.424 332 W HN 0.685 nan 8.180 nan 0.000 0.566 333 Y N 1.103 121.316 120.300 -0.145 0.000 2.300 333 Y HA 0.558 5.114 4.550 0.010 0.000 0.328 333 Y C 0.814 176.941 175.900 0.379 0.000 1.270 333 Y CA 0.106 58.219 58.100 0.022 0.000 1.352 333 Y CB 0.196 38.539 38.460 -0.194 0.000 1.286 333 Y HN 0.348 nan 8.280 nan 0.000 0.536 334 A N 2.084 125.164 122.820 0.433 0.000 1.970 334 A HA 0.055 4.381 4.320 0.011 0.000 0.216 334 A C 0.544 178.490 177.584 0.602 0.000 1.170 334 A CA 0.454 52.789 52.037 0.497 0.000 0.645 334 A CB -0.361 18.767 19.000 0.214 0.000 0.816 334 A HN 0.691 nan 8.150 nan 0.000 0.447 335 L N 2.019 123.550 121.223 0.514 0.000 2.262 335 L HA 0.408 4.755 4.340 0.011 0.000 0.288 335 L C -2.546 174.498 176.870 0.290 0.000 1.035 335 L CA -2.184 52.861 54.840 0.341 0.000 0.820 335 L CB 1.599 43.783 42.059 0.207 0.000 1.204 335 L HN -0.003 nan 8.230 nan 0.000 0.424 336 P HA 0.334 nan 4.420 nan 0.000 0.292 336 P C -1.452 175.770 177.300 -0.130 0.000 1.326 336 P CA -0.398 62.590 63.100 -0.187 0.000 0.787 336 P CB 1.527 32.680 31.700 -0.912 0.000 0.903 337 A N 4.471 127.214 122.820 -0.129 0.000 2.702 337 A HA 0.375 4.701 4.320 0.011 0.000 0.305 337 A C -0.220 177.139 177.584 -0.374 0.000 1.213 337 A CA -0.641 51.244 52.037 -0.253 0.000 0.745 337 A CB 0.570 19.445 19.000 -0.209 0.000 1.161 337 A HN 0.295 nan 8.150 nan 0.000 0.445 338 V N 2.767 122.295 119.914 -0.642 0.000 2.493 338 V HA 0.139 4.265 4.120 0.011 0.000 0.292 338 V C 1.290 177.009 176.094 -0.625 0.000 1.016 338 V CA 1.400 63.288 62.300 -0.686 0.000 1.097 338 V CB 0.728 31.895 31.823 -1.093 0.000 0.947 338 V HN 1.051 nan 8.190 nan 0.000 0.479 339 S N 1.940 117.466 115.700 -0.291 0.000 2.666 339 S HA 0.063 4.539 4.470 0.011 0.000 0.239 339 S C 0.783 175.369 174.600 -0.024 0.000 1.031 339 S CA 0.071 58.180 58.200 -0.151 0.000 1.015 339 S CB -0.358 62.786 63.200 -0.093 0.000 0.981 339 S HN 0.928 nan 8.310 nan 0.000 0.547 340 N N 0.304 118.997 118.700 -0.012 0.000 2.235 340 N HA 0.318 5.064 4.740 0.011 0.000 0.231 340 N C -0.048 175.517 175.510 0.092 0.000 1.177 340 N CA -0.506 52.576 53.050 0.052 0.000 0.874 340 N CB 0.181 38.697 38.487 0.048 0.000 1.097 340 N HN 0.238 nan 8.380 nan 0.000 0.518 341 M N 1.440 121.110 119.600 0.117 0.000 2.342 341 M HA 0.308 4.794 4.480 0.011 0.000 0.332 341 M C -0.580 175.868 176.300 0.246 0.000 1.166 341 M CA -0.803 54.620 55.300 0.205 0.000 1.086 341 M CB 2.393 35.153 32.600 0.267 0.000 1.541 341 M HN 0.167 nan 8.290 nan 0.000 0.462 342 L N 3.338 124.692 121.223 0.217 0.000 2.289 342 L HA 0.480 4.827 4.340 0.011 0.000 0.285 342 L C -1.240 175.751 176.870 0.201 0.000 1.049 342 L CA -0.845 54.107 54.840 0.187 0.000 0.804 342 L CB 1.023 43.142 42.059 0.101 0.000 1.195 342 L HN 0.580 nan 8.230 nan 0.000 0.428 343 L N 5.450 126.785 121.223 0.186 0.000 2.265 343 L HA 0.445 4.792 4.340 0.011 0.000 0.289 343 L C -0.503 176.385 176.870 0.030 0.000 1.033 343 L CA 0.239 55.070 54.840 -0.015 0.000 0.814 343 L CB 1.078 43.117 42.059 -0.032 0.000 1.203 343 L HN 0.625 nan 8.230 nan 0.000 0.423 344 E N 6.556 126.694 120.200 -0.103 0.000 2.158 344 E HA 0.407 4.764 4.350 0.011 0.000 0.271 344 E C -1.573 174.942 176.600 -0.141 0.000 0.911 344 E CA -0.446 55.912 56.400 -0.070 0.000 0.767 344 E CB 1.180 30.835 29.700 -0.075 0.000 1.120 344 E HN 0.735 nan 8.360 nan 0.000 0.405 345 I N 2.585 123.080 120.570 -0.125 0.000 2.478 345 I HA 0.264 4.441 4.170 0.011 0.000 0.287 345 I C 0.821 176.736 176.117 -0.336 0.000 1.042 345 I CA -0.684 60.410 61.300 -0.343 0.000 1.067 345 I CB 2.025 39.750 38.000 -0.458 0.000 1.233 345 I HN 0.797 nan 8.210 nan 0.000 0.431 346 G N 4.198 112.839 108.800 -0.266 0.000 2.361 346 G HA2 -0.142 3.824 3.960 0.011 0.000 0.294 346 G HA3 -0.142 3.824 3.960 0.011 0.000 0.294 346 G C 1.047 176.037 174.900 0.150 0.000 1.004 346 G CA 0.857 46.007 45.100 0.084 0.000 0.870 346 G HN 1.558 nan 8.290 nan 0.000 0.510 347 G N -1.956 106.868 108.800 0.039 0.000 2.253 347 G HA2 -0.253 3.713 3.960 0.011 0.000 0.251 347 G HA3 -0.253 3.713 3.960 0.011 0.000 0.251 347 G C 0.555 175.420 174.900 -0.058 0.000 0.998 347 G CA 0.468 45.588 45.100 0.033 0.000 0.621 347 G HN 1.272 nan 8.290 nan 0.000 0.524 348 L N 0.925 122.057 121.223 -0.151 0.000 2.417 348 L HA 0.531 4.877 4.340 0.011 0.000 0.268 348 L C 0.338 177.002 176.870 -0.343 0.000 1.158 348 L CA -0.167 54.463 54.840 -0.350 0.000 0.819 348 L CB 0.911 42.649 42.059 -0.535 0.000 1.112 348 L HN 0.208 nan 8.230 nan 0.000 0.458 349 E N 2.823 122.753 120.200 -0.450 0.000 2.185 349 E HA 0.316 4.673 4.350 0.011 0.000 0.261 349 E C -1.435 174.902 176.600 -0.439 0.000 0.879 349 E CA -0.376 55.840 56.400 -0.307 0.000 0.756 349 E CB 1.446 31.050 29.700 -0.160 0.000 1.152 349 E HN 0.281 nan 8.360 nan 0.000 0.416 350 F N 2.209 122.123 119.950 -0.061 0.000 2.309 350 F HA 0.076 4.611 4.527 0.012 0.000 0.366 350 F C 1.674 177.506 175.800 0.053 0.000 1.104 350 F CA -0.434 57.558 58.000 -0.014 0.000 1.179 350 F CB 0.822 39.795 39.000 -0.046 0.000 1.437 350 F HN 0.432 nan 8.300 nan 0.000 0.528 351 S N 1.362 117.155 115.700 0.155 0.000 2.442 351 S HA 0.056 4.532 4.470 0.011 0.000 0.236 351 S C 0.885 175.613 174.600 0.214 0.000 1.007 351 S CA 0.465 58.759 58.200 0.156 0.000 0.965 351 S CB -0.042 63.228 63.200 0.117 0.000 0.773 351 S HN 0.486 nan 8.310 nan 0.000 0.504 352 A N 0.425 123.418 122.820 0.289 0.000 2.410 352 A HA 0.826 5.153 4.320 0.011 0.000 0.289 352 A C -0.184 177.646 177.584 0.411 0.000 1.200 352 A CA -0.174 52.067 52.037 0.340 0.000 0.751 352 A CB 0.944 20.147 19.000 0.339 0.000 1.161 352 A HN 1.023 nan 8.150 nan 0.000 0.459 353 A N 4.212 127.216 122.820 0.306 0.000 3.277 353 A HA 0.627 4.953 4.320 0.011 0.000 0.281 353 A C -3.006 174.701 177.584 0.206 0.000 1.179 353 A CA -0.930 51.238 52.037 0.218 0.000 0.879 353 A CB 0.403 19.529 19.000 0.210 0.000 1.374 353 A HN 0.517 nan 8.150 nan 0.000 0.590 354 P HA 0.397 nan 4.420 nan 0.000 0.268 354 P C -0.716 176.575 177.300 -0.016 0.000 1.204 354 P CA 0.472 63.521 63.100 -0.085 0.000 0.768 354 P CB 0.301 31.912 31.700 -0.148 0.000 0.842 355 F N -0.190 119.696 119.950 -0.107 0.000 2.603 355 F HA 0.806 5.339 4.527 0.010 0.000 0.317 355 F C -0.718 175.007 175.800 -0.125 0.000 1.066 355 F CA -1.278 56.669 58.000 -0.089 0.000 0.941 355 F CB 1.604 40.434 39.000 -0.283 0.000 1.291 355 F HN 0.436 nan 8.300 nan 0.000 0.472 356 S N -0.191 115.634 115.700 0.208 0.000 2.537 356 S HA 0.855 5.332 4.470 0.011 0.000 0.271 356 S C -0.780 173.812 174.600 -0.013 0.000 1.148 356 S CA -0.175 58.073 58.200 0.081 0.000 0.868 356 S CB 1.325 64.629 63.200 0.172 0.000 1.115 356 S HN 1.481 nan 8.310 nan 0.000 0.461 357 G N 0.316 109.056 108.800 -0.100 0.000 2.890 357 G HA2 0.742 4.708 3.960 0.011 0.000 0.199 357 G HA3 0.742 4.708 3.960 0.011 0.000 0.199 357 G C -1.161 173.782 174.900 0.071 0.000 1.729 357 G CA -0.093 44.881 45.100 -0.211 0.000 0.767 357 G HN 1.277 nan 8.290 nan 0.000 0.804 358 W N -1.726 119.587 121.300 0.023 0.000 3.146 358 W HA 0.767 5.433 4.660 0.009 0.000 0.319 358 W C -1.880 174.653 176.519 0.023 0.000 1.258 358 W CA -2.136 55.238 57.345 0.049 0.000 1.189 358 W CB 0.333 29.864 29.460 0.118 0.000 1.412 358 W HN 0.354 nan 8.180 nan 0.000 0.567 359 Y N 2.810 123.314 120.300 0.340 0.000 2.397 359 Y HA 0.301 4.857 4.550 0.011 0.000 0.335 359 Y C 0.931 176.905 175.900 0.122 0.000 1.213 359 Y CA -0.478 57.703 58.100 0.134 0.000 1.391 359 Y CB 1.102 39.544 38.460 -0.028 0.000 1.293 359 Y HN 0.477 nan 8.280 nan 0.000 0.557 360 M N 2.247 122.007 119.600 0.268 0.000 2.209 360 M HA 0.196 4.682 4.480 0.011 0.000 0.355 360 M C 1.062 177.368 176.300 0.011 0.000 1.171 360 M CA -0.222 55.160 55.300 0.137 0.000 1.069 360 M CB 1.094 33.747 32.600 0.088 0.000 1.622 360 M HN 0.826 nan 8.290 nan 0.000 0.459 361 S N 1.303 116.966 115.700 -0.061 0.000 2.402 361 S HA -0.182 4.295 4.470 0.011 0.000 0.233 361 S C 1.461 175.927 174.600 -0.223 0.000 1.030 361 S CA 2.032 60.114 58.200 -0.197 0.000 1.003 361 S CB -1.302 61.812 63.200 -0.144 0.000 0.813 361 S HN 0.929 nan 8.310 nan 0.000 0.477 362 T N 0.062 114.518 114.554 -0.163 0.000 2.962 362 T HA -0.006 4.351 4.350 0.011 0.000 0.270 362 T C 1.548 176.096 174.700 -0.252 0.000 1.088 362 T CA 1.144 63.103 62.100 -0.235 0.000 1.127 362 T CB -0.560 68.137 68.868 -0.284 0.000 0.883 362 T HN 0.602 nan 8.240 nan 0.000 0.493 363 E N 0.959 121.029 120.200 -0.217 0.000 2.085 363 E HA -0.052 4.305 4.350 0.011 0.000 0.194 363 E C 2.044 178.381 176.600 -0.438 0.000 0.994 363 E CA 1.384 57.656 56.400 -0.213 0.000 0.801 363 E CB -0.294 29.411 29.700 0.009 0.000 0.743 363 E HN 0.595 nan 8.360 nan 0.000 0.453 364 I N 0.163 120.346 120.570 -0.646 0.000 2.364 364 I HA -0.049 4.128 4.170 0.011 0.000 0.241 364 I C 2.607 178.374 176.117 -0.583 0.000 1.082 364 I CA 0.902 61.653 61.300 -0.916 0.000 1.401 364 I CB -0.538 36.821 38.000 -1.069 0.000 1.126 364 I HN 0.102 nan 8.210 nan 0.000 0.429 365 G N 0.223 108.783 108.800 -0.400 0.000 2.422 365 G HA2 -0.167 3.800 3.960 0.011 0.000 0.218 365 G HA3 -0.167 3.800 3.960 0.011 0.000 0.218 365 G C 1.615 176.401 174.900 -0.190 0.000 1.146 365 G CA 1.516 46.473 45.100 -0.237 0.000 0.769 365 G HN 0.299 nan 8.290 nan 0.000 0.547 366 T N -0.117 114.302 114.554 -0.225 0.000 2.980 366 T HA 0.105 4.462 4.350 0.011 0.000 0.239 366 T C 2.529 177.119 174.700 -0.183 0.000 1.011 366 T CA 0.236 62.224 62.100 -0.187 0.000 1.171 366 T CB 0.083 68.824 68.868 -0.212 0.000 0.873 366 T HN 0.009 nan 8.240 nan 0.000 0.431 367 R N 2.058 122.427 120.500 -0.218 0.000 2.056 367 R HA 0.143 4.489 4.340 0.011 0.000 0.227 367 R C 2.185 178.365 176.300 -0.199 0.000 1.149 367 R CA 1.083 57.063 56.100 -0.200 0.000 0.937 367 R CB -1.214 28.969 30.300 -0.195 0.000 0.835 367 R HN 0.326 nan 8.270 nan 0.000 0.430 368 N N 1.041 119.573 118.700 -0.280 0.000 2.120 368 N HA -0.100 4.647 4.740 0.011 0.000 0.188 368 N C 1.966 177.418 175.510 -0.097 0.000 1.024 368 N CA 1.103 53.993 53.050 -0.268 0.000 0.852 368 N CB -0.230 37.776 38.487 -0.800 0.000 1.003 368 N HN 0.204 nan 8.380 nan 0.000 0.424 369 L N -0.751 120.369 121.223 -0.172 0.000 2.249 369 L HA 0.076 4.422 4.340 0.011 0.000 0.207 369 L C 1.451 178.355 176.870 0.057 0.000 1.090 369 L CA 0.460 55.295 54.840 -0.007 0.000 0.802 369 L CB 0.119 42.148 42.059 -0.050 0.000 0.947 369 L HN 0.159 nan 8.230 nan 0.000 0.453 370 C N -1.583 117.707 119.300 -0.016 0.000 3.065 370 C HA 0.164 4.631 4.460 0.011 0.000 0.285 370 C C 0.736 175.713 174.990 -0.023 0.000 1.257 370 C CA -0.953 58.066 59.018 0.001 0.000 1.691 370 C CB -0.375 27.353 27.740 -0.021 0.000 2.089 370 C HN 0.300 nan 8.230 nan 0.000 0.630 371 D N 2.477 122.829 120.400 -0.079 0.000 2.472 371 D HA 0.061 4.708 4.640 0.011 0.000 0.237 371 D C -1.438 174.833 176.300 -0.048 0.000 1.141 371 D CA -1.018 52.909 54.000 -0.122 0.000 0.875 371 D CB 0.611 41.175 40.800 -0.393 0.000 1.192 371 D HN 0.139 nan 8.370 nan 0.000 0.450 372 P HA -0.121 nan 4.420 nan 0.000 0.218 372 P C 0.714 178.094 177.300 0.134 0.000 1.149 372 P CA 1.168 64.337 63.100 0.116 0.000 0.817 372 P CB 0.005 31.791 31.700 0.143 0.000 0.785 373 H N -2.622 116.457 119.070 0.015 0.000 2.524 373 H HA 0.342 4.905 4.556 0.011 0.000 0.280 373 H C 0.885 176.218 175.328 0.008 0.000 1.018 373 H CA -0.039 56.014 56.048 0.009 0.000 1.165 373 H CB -0.028 29.740 29.762 0.010 0.000 1.411 373 H HN -0.020 nan 8.280 nan 0.000 0.569 374 R N -0.211 120.192 120.500 -0.161 0.000 3.066 374 R HA 0.179 4.525 4.340 0.011 0.000 0.143 374 R C 1.108 177.368 176.300 -0.067 0.000 1.187 374 R CA -0.707 55.324 56.100 -0.114 0.000 0.722 374 R CB -0.842 29.401 30.300 -0.095 0.000 1.366 374 R HN 0.087 nan 8.270 nan 0.000 0.421 375 Y N 1.654 121.969 120.300 0.025 0.000 2.421 375 Y HA -0.123 4.433 4.550 0.011 0.000 0.292 375 Y C 0.785 176.712 175.900 0.044 0.000 1.136 375 Y CA 1.230 59.363 58.100 0.055 0.000 1.255 375 Y CB -0.314 38.220 38.460 0.123 0.000 0.991 375 Y HN 0.495 nan 8.280 nan 0.000 0.552 376 N N 0.544 119.330 118.700 0.144 0.000 2.705 376 N HA -0.232 4.515 4.740 0.011 0.000 0.255 376 N C 0.330 175.922 175.510 0.136 0.000 1.008 376 N CA 0.845 53.960 53.050 0.109 0.000 0.742 376 N CB -1.413 37.120 38.487 0.078 0.000 0.906 376 N HN 0.661 nan 8.380 nan 0.000 0.541 377 I N -3.792 116.873 120.570 0.158 0.000 3.793 377 I HA 0.073 4.249 4.170 0.011 0.000 0.315 377 I C 1.554 177.768 176.117 0.161 0.000 1.275 377 I CA -0.387 61.005 61.300 0.153 0.000 1.214 377 I CB -0.085 38.010 38.000 0.159 0.000 1.018 377 I HN 0.052 nan 8.210 nan 0.000 0.439 378 L N 1.747 123.075 121.223 0.174 0.000 1.990 378 L HA -0.236 4.111 4.340 0.011 0.000 0.213 378 L C 2.617 179.695 176.870 0.347 0.000 1.072 378 L CA 2.140 57.120 54.840 0.233 0.000 0.755 378 L CB -1.011 41.155 42.059 0.178 0.000 0.889 378 L HN 0.489 nan 8.230 nan 0.000 0.432 379 E N -0.975 119.431 120.200 0.344 0.000 2.051 379 E HA -0.242 4.114 4.350 0.011 0.000 0.192 379 E C 1.782 178.420 176.600 0.064 0.000 0.991 379 E CA 1.412 57.935 56.400 0.206 0.000 0.799 379 E CB 0.030 29.794 29.700 0.106 0.000 0.748 379 E HN 0.495 nan 8.360 nan 0.000 0.449 380 D N 0.006 120.446 120.400 0.066 0.000 2.116 380 D HA -0.168 4.478 4.640 0.011 0.000 0.193 380 D C 2.067 178.366 176.300 -0.003 0.000 0.998 380 D CA 1.234 55.239 54.000 0.009 0.000 0.836 380 D CB -0.307 40.508 40.800 0.024 0.000 0.951 380 D HN 0.130 nan 8.370 nan 0.000 0.449 381 V N 1.420 121.389 119.914 0.091 0.000 2.427 381 V HA -0.204 3.922 4.120 0.011 0.000 0.248 381 V C 2.531 178.705 176.094 0.133 0.000 1.051 381 V CA 1.648 64.046 62.300 0.164 0.000 1.048 381 V CB -0.725 31.288 31.823 0.316 0.000 0.666 381 V HN 0.179 nan 8.190 nan 0.000 0.456 382 A N -0.210 122.705 122.820 0.157 0.000 1.902 382 A HA -0.165 4.162 4.320 0.011 0.000 0.217 382 A C 2.406 179.964 177.584 -0.043 0.000 1.181 382 A CA 2.052 54.172 52.037 0.138 0.000 0.623 382 A CB -0.692 18.461 19.000 0.256 0.000 0.818 382 A HN 0.326 nan 8.150 nan 0.000 0.443 383 V N -0.724 119.117 119.914 -0.121 0.000 2.332 383 V HA -0.339 3.788 4.120 0.011 0.000 0.248 383 V C 2.644 178.582 176.094 -0.261 0.000 1.055 383 V CA 2.126 64.313 62.300 -0.188 0.000 1.038 383 V CB -1.024 30.691 31.823 -0.179 0.000 0.651 383 V HN 0.722 nan 8.190 nan 0.000 0.450 384 C N -0.504 118.568 119.300 -0.380 0.000 2.422 384 C HA -0.138 4.329 4.460 0.011 0.000 0.279 384 C C 2.589 177.168 174.990 -0.684 0.000 1.305 384 C CA 0.975 59.514 59.018 -0.799 0.000 1.757 384 C CB -1.038 25.805 27.740 -1.495 0.000 1.962 384 C HN 0.534 nan 8.230 nan 0.000 0.499 385 M N -0.029 119.420 119.600 -0.252 0.000 2.618 385 M HA 0.045 4.531 4.480 0.011 0.000 0.240 385 M C 0.462 176.751 176.300 -0.018 0.000 1.123 385 M CA 0.790 56.107 55.300 0.029 0.000 1.060 385 M CB -0.440 32.273 32.600 0.188 0.000 1.535 385 M HN 0.249 nan 8.290 nan 0.000 0.507 386 D N 1.417 121.755 120.400 -0.103 0.000 2.699 386 D HA -0.149 4.497 4.640 0.011 0.000 0.239 386 D C -0.945 175.326 176.300 -0.048 0.000 1.136 386 D CA 0.433 54.380 54.000 -0.088 0.000 0.668 386 D CB -0.785 39.974 40.800 -0.069 0.000 1.060 386 D HN 0.310 nan 8.370 nan 0.000 0.429 387 L N -0.209 120.988 121.223 -0.044 0.000 2.416 387 L HA 0.401 4.747 4.340 0.011 0.000 0.262 387 L C 0.915 177.725 176.870 -0.100 0.000 1.093 387 L CA -0.868 53.966 54.840 -0.009 0.000 0.801 387 L CB 0.703 42.819 42.059 0.095 0.000 1.191 387 L HN 0.005 nan 8.230 nan 0.000 0.459 388 D N 0.498 120.861 120.400 -0.063 0.000 2.435 388 D HA 0.013 4.660 4.640 0.011 0.000 0.230 388 D C 1.035 177.153 176.300 -0.304 0.000 1.215 388 D CA -0.187 53.739 54.000 -0.123 0.000 0.947 388 D CB 0.717 41.500 40.800 -0.028 0.000 1.048 388 D HN 0.594 nan 8.370 nan 0.000 0.512 389 T N 0.601 114.784 114.554 -0.618 0.000 3.194 389 T HA 0.054 4.411 4.350 0.011 0.000 0.251 389 T C 1.484 175.819 174.700 -0.609 0.000 1.132 389 T CA 0.118 61.408 62.100 -1.349 0.000 1.028 389 T CB -0.024 67.975 68.868 -1.448 0.000 0.976 389 T HN 0.261 nan 8.240 nan 0.000 0.535 390 R N 0.455 120.797 120.500 -0.264 0.000 2.153 390 R HA 0.151 4.498 4.340 0.011 0.000 0.218 390 R C 1.026 177.348 176.300 0.037 0.000 1.072 390 R CA 0.741 56.789 56.100 -0.088 0.000 0.990 390 R CB 0.046 30.306 30.300 -0.066 0.000 0.889 390 R HN 0.366 nan 8.270 nan 0.000 0.452 391 T N -0.928 113.689 114.554 0.105 0.000 2.893 391 T HA 0.126 4.482 4.350 0.011 0.000 0.293 391 T C 1.149 176.028 174.700 0.298 0.000 1.027 391 T CA -0.600 61.600 62.100 0.168 0.000 0.988 391 T CB 1.860 70.790 68.868 0.102 0.000 1.043 391 T HN 0.220 nan 8.240 nan 0.000 0.461 392 T N 1.244 115.927 114.554 0.214 0.000 2.788 392 T HA -0.089 4.268 4.350 0.011 0.000 0.268 392 T C 2.147 176.905 174.700 0.097 0.000 1.044 392 T CA 1.763 63.947 62.100 0.139 0.000 1.139 392 T CB -0.685 68.216 68.868 0.055 0.000 0.867 392 T HN 0.502 nan 8.240 nan 0.000 0.454 393 S N 1.766 117.523 115.700 0.095 0.000 2.440 393 S HA -0.140 4.336 4.470 0.011 0.000 0.240 393 S C 2.179 176.830 174.600 0.085 0.000 1.014 393 S CA 1.448 59.690 58.200 0.069 0.000 0.980 393 S CB -0.850 62.385 63.200 0.058 0.000 0.775 393 S HN 0.849 nan 8.310 nan 0.000 0.499 394 S N 0.851 116.638 115.700 0.145 0.000 2.522 394 S HA 0.165 4.642 4.470 0.011 0.000 0.227 394 S C 0.920 175.606 174.600 0.144 0.000 0.986 394 S CA 0.466 58.758 58.200 0.153 0.000 0.929 394 S CB -0.708 62.615 63.200 0.206 0.000 0.769 394 S HN 0.594 nan 8.310 nan 0.000 0.529 395 L N 0.665 121.945 121.223 0.094 0.000 3.843 395 L HA -0.175 4.171 4.340 0.011 0.000 0.411 395 L C 1.643 178.535 176.870 0.036 0.000 1.205 395 L CA 0.711 55.552 54.840 0.001 0.000 0.945 395 L CB -2.499 39.565 42.059 0.009 0.000 1.929 395 L HN 0.744 nan 8.230 nan 0.000 0.934 396 W N 0.037 121.349 121.300 0.020 0.000 2.363 396 W HA -0.154 4.512 4.660 0.011 0.000 0.296 396 W C 1.723 178.260 176.519 0.031 0.000 1.212 396 W CA 1.335 58.695 57.345 0.025 0.000 1.260 396 W CB -0.707 28.764 29.460 0.019 0.000 1.131 396 W HN 0.276 nan 8.180 nan 0.000 0.530 397 K N 1.030 121.050 120.400 -0.632 0.000 2.057 397 K HA -0.147 4.179 4.320 0.011 0.000 0.206 397 K C 1.544 178.018 176.600 -0.210 0.000 1.050 397 K CA 2.266 58.203 56.287 -0.584 0.000 0.935 397 K CB -0.328 31.661 32.500 -0.851 0.000 0.715 397 K HN 0.033 nan 8.250 nan 0.000 0.439 398 D N 0.720 121.015 120.400 -0.175 0.000 2.117 398 D HA -0.129 4.518 4.640 0.011 0.000 0.197 398 D C 1.642 177.937 176.300 -0.009 0.000 0.987 398 D CA 1.230 55.181 54.000 -0.082 0.000 0.829 398 D CB 0.041 40.799 40.800 -0.069 0.000 0.961 398 D HN 0.109 nan 8.370 nan 0.000 0.460 399 K N 0.486 120.908 120.400 0.037 0.000 2.025 399 K HA -0.010 4.317 4.320 0.011 0.000 0.207 399 K C 2.221 178.889 176.600 0.112 0.000 1.049 399 K CA 1.131 57.467 56.287 0.083 0.000 0.933 399 K CB -0.162 32.408 32.500 0.116 0.000 0.714 399 K HN 0.083 nan 8.250 nan 0.000 0.438 400 A N 1.568 124.477 122.820 0.148 0.000 1.902 400 A HA -0.124 4.202 4.320 0.011 0.000 0.217 400 A C 2.389 180.058 177.584 0.143 0.000 1.181 400 A CA 1.867 54.019 52.037 0.193 0.000 0.623 400 A CB -0.763 18.390 19.000 0.256 0.000 0.818 400 A HN 0.337 nan 8.150 nan 0.000 0.443 401 A N -0.572 122.290 122.820 0.070 0.000 1.908 401 A HA -0.031 4.295 4.320 0.011 0.000 0.218 401 A C 2.234 179.830 177.584 0.019 0.000 1.181 401 A CA 1.856 53.908 52.037 0.025 0.000 0.627 401 A CB -0.951 18.025 19.000 -0.040 0.000 0.818 401 A HN 0.398 nan 8.150 nan 0.000 0.445 402 V N 0.288 120.219 119.914 0.029 0.000 2.343 402 V HA -0.209 3.918 4.120 0.011 0.000 0.247 402 V C 2.554 178.677 176.094 0.048 0.000 1.051 402 V CA 2.147 64.467 62.300 0.034 0.000 1.036 402 V CB -0.679 31.173 31.823 0.047 0.000 0.654 402 V HN 0.520 nan 8.190 nan 0.000 0.451 403 E N -0.125 120.129 120.200 0.089 0.000 2.106 403 E HA -0.113 4.243 4.350 0.011 0.000 0.192 403 E C 2.121 178.741 176.600 0.034 0.000 0.984 403 E CA 1.127 57.602 56.400 0.124 0.000 0.806 403 E CB -0.262 29.522 29.700 0.139 0.000 0.750 403 E HN 0.583 nan 8.360 nan 0.000 0.458 404 I N 1.517 122.132 120.570 0.076 0.000 2.252 404 I HA -0.244 3.932 4.170 0.011 0.000 0.245 404 I C 2.128 178.216 176.117 -0.048 0.000 1.102 404 I CA 0.811 62.154 61.300 0.071 0.000 1.385 404 I CB -0.296 37.819 38.000 0.193 0.000 1.064 404 I HN 0.074 nan 8.210 nan 0.000 0.414 405 N N 0.738 119.410 118.700 -0.047 0.000 2.166 405 N HA -0.179 4.567 4.740 0.011 0.000 0.186 405 N C 1.924 177.382 175.510 -0.086 0.000 1.019 405 N CA 1.194 54.197 53.050 -0.078 0.000 0.856 405 N CB -0.126 38.325 38.487 -0.060 0.000 0.993 405 N HN 0.214 nan 8.380 nan 0.000 0.426 406 L N 1.477 122.642 121.223 -0.097 0.000 2.056 406 L HA -0.026 4.320 4.340 0.011 0.000 0.207 406 L C 2.264 178.991 176.870 -0.237 0.000 1.078 406 L CA 1.373 56.120 54.840 -0.156 0.000 0.749 406 L CB -0.690 41.247 42.059 -0.203 0.000 0.901 406 L HN 0.037 nan 8.230 nan 0.000 0.433 407 A N -1.075 121.545 122.820 -0.334 0.000 1.902 407 A HA -0.154 4.172 4.320 0.011 0.000 0.217 407 A C 2.262 179.777 177.584 -0.115 0.000 1.181 407 A CA 2.013 53.821 52.037 -0.381 0.000 0.623 407 A CB -1.124 17.351 19.000 -0.875 0.000 0.818 407 A HN 0.304 nan 8.150 nan 0.000 0.443 408 V N -0.004 119.856 119.914 -0.089 0.000 2.295 408 V HA -0.273 3.854 4.120 0.011 0.000 0.246 408 V C 2.585 178.684 176.094 0.008 0.000 1.049 408 V CA 2.063 64.352 62.300 -0.019 0.000 1.024 408 V CB -0.765 30.966 31.823 -0.155 0.000 0.648 408 V HN 0.571 nan 8.190 nan 0.000 0.447 409 L N -0.624 120.571 121.223 -0.047 0.000 2.017 409 L HA -0.214 4.132 4.340 0.011 0.000 0.208 409 L C 2.619 179.516 176.870 0.045 0.000 1.073 409 L CA 2.140 56.970 54.840 -0.016 0.000 0.745 409 L CB -0.802 41.241 42.059 -0.028 0.000 0.894 409 L HN 0.476 nan 8.230 nan 0.000 0.432 410 H N -0.358 118.665 119.070 -0.078 0.000 2.319 410 H HA -0.146 4.417 4.556 0.011 0.000 0.299 410 H C 2.323 177.638 175.328 -0.022 0.000 1.092 410 H CA 2.016 58.012 56.048 -0.087 0.000 1.302 410 H CB 0.016 29.663 29.762 -0.191 0.000 1.373 410 H HN 0.154 nan 8.280 nan 0.000 0.497 411 S N -0.512 115.146 115.700 -0.069 0.000 2.368 411 S HA -0.103 4.373 4.470 0.011 0.000 0.224 411 S C 2.010 176.589 174.600 -0.035 0.000 1.029 411 S CA 1.202 59.346 58.200 -0.095 0.000 0.988 411 S CB -0.487 62.748 63.200 0.058 0.000 0.838 411 S HN 0.386 nan 8.310 nan 0.000 0.462 412 F N 1.956 121.846 119.950 -0.100 0.000 2.186 412 F HA -0.125 4.409 4.527 0.010 0.000 0.299 412 F C 2.789 178.534 175.800 -0.091 0.000 1.090 412 F CA 1.061 59.025 58.000 -0.061 0.000 1.307 412 F CB -0.260 38.728 39.000 -0.020 0.000 1.019 412 F HN 0.205 nan 8.300 nan 0.000 0.489 413 Q N 0.091 119.928 119.800 0.062 0.000 2.084 413 Q HA -0.224 4.123 4.340 0.011 0.000 0.202 413 Q C 2.337 178.277 176.000 -0.101 0.000 0.978 413 Q CA 1.494 57.282 55.803 -0.026 0.000 0.844 413 Q CB -0.362 28.353 28.738 -0.038 0.000 0.898 413 Q HN 0.485 nan 8.270 nan 0.000 0.426 414 L N 0.163 121.264 121.223 -0.203 0.000 2.017 414 L HA -0.157 4.190 4.340 0.011 0.000 0.208 414 L C 2.000 178.784 176.870 -0.144 0.000 1.073 414 L CA 1.256 55.964 54.840 -0.220 0.000 0.745 414 L CB -0.260 41.582 42.059 -0.362 0.000 0.894 414 L HN 0.188 nan 8.230 nan 0.000 0.432 415 A N -0.872 121.860 122.820 -0.148 0.000 2.235 415 A HA -0.075 4.251 4.320 0.011 0.000 0.208 415 A C 0.995 178.515 177.584 -0.108 0.000 1.172 415 A CA 0.361 52.316 52.037 -0.137 0.000 0.786 415 A CB -0.342 18.540 19.000 -0.198 0.000 0.804 415 A HN 0.533 nan 8.150 nan 0.000 0.479 416 K N -1.291 119.060 120.400 -0.082 0.000 3.150 416 K HA -0.125 4.202 4.320 0.011 0.000 0.267 416 K C -0.798 175.773 176.600 -0.048 0.000 1.028 416 K CA 0.629 56.881 56.287 -0.059 0.000 0.753 416 K CB -2.076 30.389 32.500 -0.058 0.000 1.288 416 K HN 0.243 nan 8.250 nan 0.000 0.473 417 V N 1.079 120.978 119.914 -0.025 0.000 2.459 417 V HA 0.169 4.295 4.120 0.011 0.000 0.295 417 V C 0.738 176.920 176.094 0.146 0.000 1.029 417 V CA -0.729 61.588 62.300 0.029 0.000 0.874 417 V CB 2.007 33.778 31.823 -0.088 0.000 0.985 417 V HN 0.255 nan 8.190 nan 0.000 0.438 418 T N 6.320 120.914 114.554 0.066 0.000 2.934 418 T HA 0.422 4.778 4.350 0.011 0.000 0.306 418 T C -0.250 174.500 174.700 0.083 0.000 1.042 418 T CA 0.841 62.899 62.100 -0.069 0.000 1.145 418 T CB 0.106 68.772 68.868 -0.338 0.000 0.982 418 T HN 0.573 nan 8.240 nan 0.000 0.544 419 I N 2.267 122.826 120.570 -0.019 0.000 2.908 419 I HA 0.608 4.785 4.170 0.011 0.000 0.300 419 I C -1.654 174.481 176.117 0.030 0.000 1.385 419 I CA -0.952 60.377 61.300 0.049 0.000 1.004 419 I CB 1.929 39.877 38.000 -0.087 0.000 1.309 419 I HN 0.439 nan 8.210 nan 0.000 0.449 420 V N 5.267 125.265 119.914 0.140 0.000 2.531 420 V HA 0.469 4.595 4.120 0.011 0.000 0.301 420 V C -1.042 175.100 176.094 0.080 0.000 1.034 420 V CA -0.279 62.102 62.300 0.136 0.000 0.865 420 V CB 2.065 34.067 31.823 0.298 0.000 0.995 420 V HN 0.878 nan 8.190 nan 0.000 0.424 421 D N 4.251 124.670 120.400 0.031 0.000 2.360 421 D HA 0.123 4.770 4.640 0.011 0.000 0.242 421 D C 1.310 177.585 176.300 -0.042 0.000 1.184 421 D CA 0.273 54.267 54.000 -0.011 0.000 0.930 421 D CB 0.419 41.181 40.800 -0.063 0.000 1.161 421 D HN 0.738 nan 8.370 nan 0.000 0.447 422 H N -0.221 118.765 119.070 -0.140 0.000 2.491 422 H HA -0.128 4.434 4.556 0.011 0.000 0.290 422 H C 0.953 176.160 175.328 -0.202 0.000 1.050 422 H CA 1.256 57.186 56.048 -0.196 0.000 1.309 422 H CB -0.515 29.075 29.762 -0.287 0.000 1.392 422 H HN 0.521 nan 8.280 nan 0.000 0.554 423 H N 1.163 120.016 119.070 -0.363 0.000 2.343 423 H HA 0.164 4.726 4.556 0.011 0.000 0.303 423 H C 2.539 177.840 175.328 -0.046 0.000 1.068 423 H CA 1.255 57.198 56.048 -0.175 0.000 1.359 423 H CB -0.312 29.318 29.762 -0.220 0.000 1.402 423 H HN 0.494 nan 8.280 nan 0.000 0.515 424 A N 1.497 124.361 122.820 0.073 0.000 1.902 424 A HA -0.107 4.220 4.320 0.011 0.000 0.217 424 A C 2.691 180.342 177.584 0.111 0.000 1.181 424 A CA 1.843 53.931 52.037 0.085 0.000 0.623 424 A CB -0.829 18.213 19.000 0.070 0.000 0.818 424 A HN 0.433 nan 8.150 nan 0.000 0.443 425 A N -0.246 122.638 122.820 0.105 0.000 1.877 425 A HA -0.109 4.217 4.320 0.011 0.000 0.216 425 A C 2.459 180.135 177.584 0.154 0.000 1.186 425 A CA 2.606 54.725 52.037 0.136 0.000 0.620 425 A CB -1.433 17.634 19.000 0.111 0.000 0.822 425 A HN 0.770 nan 8.150 nan 0.000 0.443 426 T N -2.724 111.904 114.554 0.124 0.000 2.867 426 T HA -0.070 4.286 4.350 0.011 0.000 0.268 426 T C 1.681 176.509 174.700 0.213 0.000 1.057 426 T CA 1.359 63.558 62.100 0.165 0.000 1.136 426 T CB -0.680 68.255 68.868 0.112 0.000 0.874 426 T HN 0.046 nan 8.240 nan 0.000 0.466 427 V N 2.719 122.733 119.914 0.166 0.000 2.343 427 V HA -0.161 3.966 4.120 0.011 0.000 0.247 427 V C 3.212 179.397 176.094 0.152 0.000 1.051 427 V CA 2.053 64.442 62.300 0.147 0.000 1.036 427 V CB -0.871 31.020 31.823 0.114 0.000 0.654 427 V HN 0.800 nan 8.190 nan 0.000 0.451 428 S N -0.259 115.542 115.700 0.167 0.000 2.402 428 S HA -0.215 4.261 4.470 0.011 0.000 0.229 428 S C 1.973 176.699 174.600 0.210 0.000 1.021 428 S CA 1.478 59.778 58.200 0.167 0.000 0.974 428 S CB -0.692 62.613 63.200 0.174 0.000 0.800 428 S HN 0.510 nan 8.310 nan 0.000 0.484 429 F N 2.077 122.089 119.950 0.102 0.000 2.234 429 F HA 0.136 4.669 4.527 0.010 0.000 0.299 429 F C 2.210 178.095 175.800 0.142 0.000 1.087 429 F CA 1.086 59.159 58.000 0.122 0.000 1.340 429 F CB -0.307 38.744 39.000 0.085 0.000 1.031 429 F HN 0.122 nan 8.300 nan 0.000 0.500 430 M N -0.046 119.626 119.600 0.120 0.000 2.175 430 M HA -0.155 4.332 4.480 0.011 0.000 0.264 430 M C 2.172 178.445 176.300 -0.045 0.000 1.063 430 M CA 1.375 56.688 55.300 0.023 0.000 1.119 430 M CB -1.142 31.520 32.600 0.103 0.000 1.377 430 M HN 0.058 nan 8.290 nan 0.000 0.415 431 K N -0.205 120.199 120.400 0.007 0.000 2.057 431 K HA -0.189 4.137 4.320 0.011 0.000 0.206 431 K C 1.957 178.534 176.600 -0.039 0.000 1.050 431 K CA 1.677 57.964 56.287 -0.000 0.000 0.935 431 K CB -0.626 31.899 32.500 0.041 0.000 0.715 431 K HN 0.364 nan 8.250 nan 0.000 0.439 432 H N 0.083 119.064 119.070 -0.149 0.000 2.352 432 H HA -0.017 4.546 4.556 0.010 0.000 0.299 432 H C 1.681 176.843 175.328 -0.276 0.000 1.097 432 H CA 2.197 58.130 56.048 -0.191 0.000 1.311 432 H CB -0.172 29.448 29.762 -0.238 0.000 1.377 432 H HN 0.168 nan 8.280 nan 0.000 0.504 433 L N -0.317 120.617 121.223 -0.483 0.000 2.046 433 L HA -0.166 4.180 4.340 0.011 0.000 0.208 433 L C 2.274 178.985 176.870 -0.266 0.000 1.077 433 L CA 1.879 56.462 54.840 -0.428 0.000 0.747 433 L CB -0.450 41.413 42.059 -0.327 0.000 0.896 433 L HN 0.399 nan 8.230 nan 0.000 0.432 434 D N -0.253 120.037 120.400 -0.184 0.000 2.117 434 D HA -0.175 4.471 4.640 0.011 0.000 0.198 434 D C 1.945 178.170 176.300 -0.124 0.000 0.982 434 D CA 1.021 54.950 54.000 -0.117 0.000 0.828 434 D CB 0.155 40.913 40.800 -0.069 0.000 0.967 434 D HN 0.158 nan 8.370 nan 0.000 0.464 435 N N 0.563 119.176 118.700 -0.146 0.000 2.084 435 N HA -0.135 4.612 4.740 0.011 0.000 0.190 435 N C 1.591 177.012 175.510 -0.149 0.000 1.030 435 N CA 0.874 53.856 53.050 -0.114 0.000 0.849 435 N CB -0.290 38.151 38.487 -0.075 0.000 1.012 435 N HN 0.322 nan 8.380 nan 0.000 0.423 436 E N 0.622 120.651 120.200 -0.284 0.000 2.204 436 E HA -0.153 4.204 4.350 0.011 0.000 0.194 436 E C 1.854 178.354 176.600 -0.166 0.000 0.989 436 E CA 0.514 56.752 56.400 -0.271 0.000 0.824 436 E CB -0.071 29.357 29.700 -0.454 0.000 0.756 436 E HN 0.334 nan 8.360 nan 0.000 0.477 437 Q N 1.524 121.235 119.800 -0.148 0.000 2.084 437 Q HA -0.126 4.220 4.340 0.011 0.000 0.202 437 Q C 1.784 177.738 176.000 -0.077 0.000 0.978 437 Q CA 1.710 57.456 55.803 -0.095 0.000 0.844 437 Q CB 0.033 28.724 28.738 -0.079 0.000 0.898 437 Q HN 0.123 nan 8.270 nan 0.000 0.426 438 K N -0.809 119.548 120.400 -0.073 0.000 2.062 438 K HA 0.023 4.350 4.320 0.011 0.000 0.205 438 K C 2.012 178.583 176.600 -0.049 0.000 1.051 438 K CA 1.033 57.288 56.287 -0.053 0.000 0.941 438 K CB -0.164 32.310 32.500 -0.044 0.000 0.719 438 K HN 0.238 nan 8.250 nan 0.000 0.440 439 A N 1.179 123.969 122.820 -0.051 0.000 1.929 439 A HA -0.053 4.274 4.320 0.011 0.000 0.216 439 A C 1.740 179.299 177.584 -0.042 0.000 1.176 439 A CA 1.109 53.127 52.037 -0.031 0.000 0.628 439 A CB 0.015 19.013 19.000 -0.003 0.000 0.816 439 A HN 0.164 nan 8.150 nan 0.000 0.444 440 R N -2.684 117.778 120.500 -0.064 0.000 2.541 440 R HA 0.263 4.609 4.340 0.011 0.000 0.332 440 R C 0.809 177.069 176.300 -0.067 0.000 0.951 440 R CA 0.508 56.571 56.100 -0.061 0.000 1.136 440 R CB 0.715 30.975 30.300 -0.066 0.000 1.449 440 R HN 0.683 nan 8.270 nan 0.000 0.531 441 G N 0.927 109.681 108.800 -0.075 0.000 2.137 441 G HA2 -0.171 3.796 3.960 0.011 0.000 0.237 441 G HA3 -0.171 3.796 3.960 0.011 0.000 0.237 441 G C 0.229 175.095 174.900 -0.057 0.000 1.002 441 G CA 0.058 45.105 45.100 -0.088 0.000 0.702 441 G HN 0.738 nan 8.290 nan 0.000 0.515 442 G N -2.386 106.394 108.800 -0.035 0.000 2.359 442 G HA2 0.533 4.499 3.960 0.011 0.000 0.293 442 G HA3 0.533 4.499 3.960 0.011 0.000 0.293 442 G C -0.795 174.115 174.900 0.016 0.000 1.300 442 G CA 0.447 45.561 45.100 0.023 0.000 0.888 442 G HN 1.980 nan 8.290 nan 0.000 0.541 443 C N 1.923 121.262 119.300 0.066 0.000 2.817 443 C HA 0.727 5.193 4.460 0.011 0.000 0.385 443 C C -2.580 172.392 174.990 -0.030 0.000 1.050 443 C CA -1.080 57.934 59.018 -0.007 0.000 1.245 443 C CB 1.328 29.015 27.740 -0.088 0.000 1.706 443 C HN 0.727 nan 8.230 nan 0.000 0.488 444 P HA 0.445 nan 4.420 nan 0.000 0.276 444 P C -0.736 176.462 177.300 -0.170 0.000 1.235 444 P CA 0.447 63.184 63.100 -0.604 0.000 0.772 444 P CB 1.261 32.300 31.700 -1.102 0.000 0.871 445 A N 2.529 125.317 122.820 -0.053 0.000 2.488 445 A HA 0.407 4.734 4.320 0.011 0.000 0.298 445 A C -1.083 176.556 177.584 0.091 0.000 1.044 445 A CA -0.559 51.533 52.037 0.092 0.000 0.693 445 A CB 1.295 20.472 19.000 0.294 0.000 1.272 445 A HN 0.451 nan 8.150 nan 0.000 0.402 446 D N 1.998 122.442 120.400 0.073 0.000 2.456 446 D HA 0.129 4.776 4.640 0.011 0.000 0.219 446 D C 0.822 177.256 176.300 0.223 0.000 1.126 446 D CA -0.464 53.613 54.000 0.129 0.000 0.890 446 D CB 0.339 41.165 40.800 0.044 0.000 1.025 446 D HN 0.601 nan 8.370 nan 0.000 0.511 447 W N 4.270 125.611 121.300 0.069 0.000 2.304 447 W HA -0.318 4.349 4.660 0.011 0.000 0.315 447 W C 1.988 178.544 176.519 0.061 0.000 1.233 447 W CA 2.440 59.814 57.345 0.047 0.000 1.261 447 W CB -0.003 29.463 29.460 0.009 0.000 1.150 447 W HN 0.562 nan 8.180 nan 0.000 0.494 448 A N -1.226 121.878 122.820 0.474 0.000 1.978 448 A HA -0.220 4.107 4.320 0.011 0.000 0.220 448 A C 1.520 179.173 177.584 0.116 0.000 1.170 448 A CA 1.732 53.967 52.037 0.330 0.000 0.636 448 A CB -1.298 17.922 19.000 0.367 0.000 0.810 448 A HN 0.545 nan 8.150 nan 0.000 0.448 449 W N -0.817 120.459 121.300 -0.039 0.000 2.630 449 W HA 0.178 4.844 4.660 0.010 0.000 0.271 449 W C 1.928 178.336 176.519 -0.185 0.000 1.244 449 W CA 0.011 57.306 57.345 -0.083 0.000 1.353 449 W CB -0.069 29.366 29.460 -0.041 0.000 1.080 449 W HN 0.142 nan 8.180 nan 0.000 0.594 450 I N -0.153 120.379 120.570 -0.064 0.000 2.286 450 I HA -0.086 4.090 4.170 0.011 0.000 0.245 450 I C 0.654 176.567 176.117 -0.340 0.000 1.104 450 I CA 0.827 61.959 61.300 -0.279 0.000 1.397 450 I CB -1.503 36.264 38.000 -0.388 0.000 1.072 450 I HN -0.416 nan 8.210 nan 0.000 0.417 451 V N 4.081 123.703 119.914 -0.487 0.000 2.485 451 V HA 0.061 4.187 4.120 0.011 0.000 0.287 451 V C -1.879 174.029 176.094 -0.310 0.000 1.022 451 V CA -0.999 61.002 62.300 -0.498 0.000 1.067 451 V CB 0.053 31.328 31.823 -0.915 0.000 0.967 451 V HN 0.136 nan 8.190 nan 0.000 0.479 452 P HA 0.115 nan 4.420 nan 0.000 0.268 452 P C -1.768 175.396 177.300 -0.227 0.000 1.208 452 P CA -1.125 61.846 63.100 -0.215 0.000 0.777 452 P CB 0.012 31.595 31.700 -0.195 0.000 0.875 453 P HA -0.016 nan 4.420 nan 0.000 0.230 453 P C 0.201 177.379 177.300 -0.203 0.000 1.158 453 P CA 1.153 64.126 63.100 -0.212 0.000 0.769 453 P CB 0.036 31.605 31.700 -0.217 0.000 0.807 454 I N -6.602 113.806 120.570 -0.271 0.000 2.892 454 I HA 0.472 4.649 4.170 0.011 0.000 0.306 454 I C 0.051 176.032 176.117 -0.227 0.000 1.078 454 I CA -1.254 59.901 61.300 -0.243 0.000 1.032 454 I CB 1.921 39.752 38.000 -0.282 0.000 1.229 454 I HN -0.407 nan 8.210 nan 0.000 0.435 455 S N 2.161 117.787 115.700 -0.123 0.000 3.533 455 S HA -0.202 4.275 4.470 0.011 0.000 0.347 455 S C 1.405 175.969 174.600 -0.060 0.000 1.101 455 S CA 0.819 58.992 58.200 -0.046 0.000 1.009 455 S CB -1.692 61.557 63.200 0.081 0.000 0.916 455 S HN 1.261 nan 8.310 nan 0.000 0.496 456 G N 2.226 110.964 108.800 -0.105 0.000 2.599 456 G HA2 -0.344 3.622 3.960 0.011 0.000 0.219 456 G HA3 -0.344 3.622 3.960 0.011 0.000 0.219 456 G C 1.433 176.197 174.900 -0.227 0.000 1.193 456 G CA 1.590 46.638 45.100 -0.087 0.000 0.778 456 G HN 1.290 nan 8.290 nan 0.000 0.589 457 S N 0.237 115.535 115.700 -0.670 0.000 2.555 457 S HA 0.200 4.676 4.470 0.011 0.000 0.230 457 S C 2.042 176.550 174.600 -0.154 0.000 0.978 457 S CA 0.504 58.135 58.200 -0.949 0.000 0.934 457 S CB -0.134 62.320 63.200 -1.243 0.000 0.766 457 S HN 0.327 nan 8.310 nan 0.000 0.533 458 L N 1.979 123.179 121.223 -0.039 0.000 2.554 458 L HA 0.138 4.485 4.340 0.011 0.000 0.226 458 L C 1.292 178.285 176.870 0.204 0.000 1.137 458 L CA 0.471 55.378 54.840 0.112 0.000 0.863 458 L CB -0.881 41.273 42.059 0.158 0.000 0.985 458 L HN 0.475 nan 8.230 nan 0.000 0.451 459 T N -4.103 110.556 114.554 0.175 0.000 2.929 459 T HA 0.302 4.659 4.350 0.011 0.000 0.284 459 T C -1.666 173.193 174.700 0.264 0.000 1.014 459 T CA -1.967 60.259 62.100 0.210 0.000 1.051 459 T CB 1.856 70.802 68.868 0.130 0.000 1.028 459 T HN -0.189 nan 8.240 nan 0.000 0.485 460 P HA -0.058 nan 4.420 nan 0.000 0.221 460 P C 1.793 179.289 177.300 0.328 0.000 1.150 460 P CA 0.915 64.209 63.100 0.324 0.000 0.800 460 P CB -0.332 31.506 31.700 0.231 0.000 0.787 461 V N -3.619 116.433 119.914 0.231 0.000 2.626 461 V HA -0.180 3.946 4.120 0.011 0.000 0.252 461 V C 2.369 178.548 176.094 0.142 0.000 1.067 461 V CA 1.122 63.531 62.300 0.182 0.000 1.081 461 V CB -2.244 29.622 31.823 0.072 0.000 0.686 461 V HN -0.108 nan 8.190 nan 0.000 0.468 462 F N 1.789 121.690 119.950 -0.082 0.000 2.161 462 F HA -0.179 4.354 4.527 0.010 0.000 0.300 462 F C 2.406 178.300 175.800 0.157 0.000 1.089 462 F CA 2.219 60.174 58.000 -0.074 0.000 1.282 462 F CB -0.222 38.602 39.000 -0.292 0.000 1.010 462 F HN 0.286 nan 8.300 nan 0.000 0.485 463 H N -0.922 118.482 119.070 0.557 0.000 2.539 463 H HA 0.120 4.682 4.556 0.011 0.000 0.267 463 H C 0.212 175.791 175.328 0.417 0.000 0.982 463 H CA 0.203 56.533 56.048 0.470 0.000 1.146 463 H CB -0.183 29.834 29.762 0.426 0.000 1.382 463 H HN 0.264 nan 8.280 nan 0.000 0.577 464 Q N 1.910 121.989 119.800 0.464 0.000 2.325 464 Q HA 0.174 4.520 4.340 0.011 0.000 0.262 464 Q C -0.564 175.672 176.000 0.394 0.000 0.968 464 Q CA -0.431 55.601 55.803 0.380 0.000 0.877 464 Q CB 0.876 29.803 28.738 0.316 0.000 1.253 464 Q HN 0.224 nan 8.270 nan 0.000 0.448 465 E N 3.231 123.614 120.200 0.305 0.000 2.390 465 E HA 0.295 4.652 4.350 0.011 0.000 0.261 465 E C -0.494 176.244 176.600 0.230 0.000 1.076 465 E CA 0.245 56.777 56.400 0.220 0.000 0.905 465 E CB 0.827 30.634 29.700 0.179 0.000 0.984 465 E HN 0.598 nan 8.360 nan 0.000 0.427 466 M N 1.256 120.987 119.600 0.219 0.000 2.501 466 M HA 0.360 4.847 4.480 0.011 0.000 0.293 466 M C -1.273 175.136 176.300 0.181 0.000 1.192 466 M CA -0.980 54.458 55.300 0.230 0.000 0.886 466 M CB 2.385 35.177 32.600 0.319 0.000 1.710 466 M HN 0.151 nan 8.290 nan 0.000 0.457 467 V N 1.591 121.621 119.914 0.194 0.000 2.435 467 V HA 0.430 4.557 4.120 0.011 0.000 0.290 467 V C -0.591 175.622 176.094 0.197 0.000 1.030 467 V CA -0.693 61.751 62.300 0.240 0.000 0.881 467 V CB 1.601 33.630 31.823 0.344 0.000 0.983 467 V HN 0.886 nan 8.190 nan 0.000 0.445 468 N N 3.440 122.249 118.700 0.181 0.000 2.342 468 N HA 0.700 5.446 4.740 0.011 0.000 0.293 468 N C -1.680 173.912 175.510 0.136 0.000 1.026 468 N CA -0.432 52.634 53.050 0.027 0.000 0.857 468 N CB 1.775 40.289 38.487 0.044 0.000 1.256 468 N HN 0.745 nan 8.380 nan 0.000 0.484 469 Y N 0.814 121.131 120.300 0.030 0.000 2.677 469 Y HA 0.487 5.043 4.550 0.011 0.000 0.334 469 Y C -1.372 174.529 175.900 0.002 0.000 1.196 469 Y CA -1.166 56.946 58.100 0.019 0.000 1.059 469 Y CB 0.747 39.224 38.460 0.028 0.000 1.315 469 Y HN 0.177 nan 8.280 nan 0.000 0.455 470 I N 3.571 124.232 120.570 0.152 0.000 2.315 470 I HA 0.397 4.574 4.170 0.011 0.000 0.291 470 I C -0.692 175.489 176.117 0.106 0.000 1.006 470 I CA -0.414 60.921 61.300 0.058 0.000 1.265 470 I CB 0.928 38.947 38.000 0.031 0.000 1.387 470 I HN 0.434 nan 8.210 nan 0.000 0.475 471 L N 5.099 126.353 121.223 0.051 0.000 2.333 471 L HA 0.566 4.913 4.340 0.011 0.000 0.269 471 L C -0.073 176.798 176.870 0.003 0.000 1.010 471 L CA -0.540 54.338 54.840 0.062 0.000 0.818 471 L CB 2.097 44.194 42.059 0.064 0.000 1.306 471 L HN 0.497 nan 8.230 nan 0.000 0.430 472 S N 1.320 117.031 115.700 0.019 0.000 2.536 472 S HA 0.642 5.119 4.470 0.011 0.000 0.298 472 S C -2.596 172.021 174.600 0.028 0.000 1.083 472 S CA -1.467 56.730 58.200 -0.005 0.000 0.995 472 S CB 1.898 65.110 63.200 0.020 0.000 1.058 472 S HN 0.231 nan 8.310 nan 0.000 0.488 473 P HA 0.364 nan 4.420 nan 0.000 0.267 473 P C -1.308 175.867 177.300 -0.209 0.000 1.201 473 P CA 0.057 63.065 63.100 -0.154 0.000 0.775 473 P CB 0.504 32.064 31.700 -0.232 0.000 0.854 474 A N 1.712 124.370 122.820 -0.270 0.000 2.606 474 A HA 0.701 5.028 4.320 0.011 0.000 0.293 474 A C -1.629 175.740 177.584 -0.358 0.000 1.082 474 A CA -0.500 51.379 52.037 -0.262 0.000 0.685 474 A CB 0.857 19.777 19.000 -0.133 0.000 1.284 474 A HN 0.346 nan 8.150 nan 0.000 0.408 475 F N 0.944 120.814 119.950 -0.132 0.000 2.420 475 F HA 0.667 5.200 4.527 0.010 0.000 0.342 475 F C 0.913 176.609 175.800 -0.174 0.000 1.113 475 F CA 0.009 57.936 58.000 -0.121 0.000 1.059 475 F CB 1.889 40.796 39.000 -0.155 0.000 1.128 475 F HN 0.560 nan 8.300 nan 0.000 0.475 476 R N 1.767 122.290 120.500 0.039 0.000 2.837 476 R HA 0.478 4.824 4.340 0.011 0.000 0.271 476 R C -1.588 174.686 176.300 -0.044 0.000 0.993 476 R CA -1.232 54.809 56.100 -0.098 0.000 0.931 476 R CB 1.595 31.869 30.300 -0.044 0.000 1.206 476 R HN 0.381 nan 8.270 nan 0.000 0.474 477 Y N 1.319 121.633 120.300 0.023 0.000 2.314 477 Y HA 0.161 4.718 4.550 0.011 0.000 0.334 477 Y C 0.613 176.508 175.900 -0.008 0.000 1.266 477 Y CA -0.270 57.834 58.100 0.008 0.000 1.391 477 Y CB 0.806 39.258 38.460 -0.014 0.000 1.306 477 Y HN 0.465 nan 8.280 nan 0.000 0.558 478 Q N 0.942 120.829 119.800 0.146 0.000 2.456 478 Q HA 0.681 5.027 4.340 0.011 0.000 0.284 478 Q C -3.026 172.944 176.000 -0.051 0.000 1.061 478 Q CA -2.391 53.433 55.803 0.035 0.000 0.799 478 Q CB 1.652 30.404 28.738 0.023 0.000 1.445 478 Q HN 0.305 nan 8.270 nan 0.000 0.411 479 P HA 0.118 nan 4.420 nan 0.000 0.272 479 P C -0.985 176.104 177.300 -0.351 0.000 1.223 479 P CA -0.157 62.817 63.100 -0.210 0.000 0.784 479 P CB 0.405 31.992 31.700 -0.189 0.000 0.923 480 D N 2.834 122.891 120.400 -0.571 0.000 2.424 480 D HA -0.006 4.640 4.640 0.011 0.000 0.244 480 D C -1.043 174.675 176.300 -0.970 0.000 1.134 480 D CA -0.862 52.527 54.000 -1.017 0.000 0.881 480 D CB 0.477 40.181 40.800 -1.826 0.000 1.191 480 D HN 0.289 nan 8.370 nan 0.000 0.445 481 P HA -0.105 nan 4.420 nan 0.000 0.221 481 P C 0.364 177.330 177.300 -0.556 0.000 1.145 481 P CA 0.922 63.639 63.100 -0.639 0.000 0.795 481 P CB 0.117 31.412 31.700 -0.676 0.000 0.775 482 W N 0.000 120.875 121.300 -0.708 0.000 2.388 482 W HA 0.000 4.666 4.660 0.010 0.000 0.303 482 W CA 0.000 57.097 57.345 -0.413 0.000 1.226 482 W CB 0.000 29.205 29.460 -0.425 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535