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 1foj_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL 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 3.965 3.960 0.009 0.000 0.244 67 G C 0.000 174.861 174.900 -0.066 0.000 0.946 67 G CA 0.000 45.085 45.100 -0.025 0.000 0.502 68 P HA 0.306 nan 4.420 nan 0.000 0.269 68 P C -0.287 177.011 177.300 -0.003 0.000 1.209 68 P CA -0.157 62.882 63.100 -0.101 0.000 0.776 68 P CB 1.036 32.546 31.700 -0.318 0.000 0.876 69 K N 2.913 123.216 120.400 -0.162 0.000 3.165 69 K HA 0.131 4.457 4.320 0.009 0.000 0.270 69 K C -0.992 175.218 176.600 -0.650 0.000 1.111 69 K CA 0.047 56.114 56.287 -0.368 0.000 1.216 69 K CB -0.706 31.518 32.500 -0.460 0.000 1.229 69 K HN 0.371 nan 8.250 nan 0.000 0.435 70 F N -0.290 119.699 119.950 0.065 0.000 2.613 70 F HA 0.372 4.904 4.527 0.009 0.000 0.314 70 F C -2.136 173.760 175.800 0.161 0.000 1.075 70 F CA -2.777 55.278 58.000 0.092 0.000 0.945 70 F CB 1.137 40.195 39.000 0.096 0.000 1.310 70 F HN 0.038 nan 8.300 nan 0.000 0.467 71 P HA 0.074 nan 4.420 nan 0.000 0.264 71 P C -0.896 176.470 177.300 0.109 0.000 1.193 71 P CA -0.089 63.106 63.100 0.159 0.000 0.763 71 P CB 0.483 32.253 31.700 0.118 0.000 0.810 72 R N 3.032 123.520 120.500 -0.020 0.000 2.229 72 R HA 0.431 4.777 4.340 0.009 0.000 0.328 72 R C -1.184 174.985 176.300 -0.218 0.000 1.009 72 R CA -0.547 55.347 56.100 -0.343 0.000 0.864 72 R CB 0.486 30.608 30.300 -0.295 0.000 1.085 72 R HN 0.218 nan 8.270 nan 0.000 0.453 73 V N 4.781 124.538 119.914 -0.260 0.000 2.459 73 V HA 0.417 4.542 4.120 0.009 0.000 0.295 73 V C -0.323 175.670 176.094 -0.168 0.000 1.029 73 V CA -0.755 61.470 62.300 -0.125 0.000 0.874 73 V CB 1.557 33.352 31.823 -0.047 0.000 0.985 73 V HN 0.735 nan 8.190 nan 0.000 0.438 74 K N 3.432 123.750 120.400 -0.136 0.000 2.318 74 K HA 0.448 4.773 4.320 0.009 0.000 0.249 74 K C -0.821 175.666 176.600 -0.189 0.000 0.942 74 K CA -0.721 55.403 56.287 -0.271 0.000 0.808 74 K CB 1.759 33.923 32.500 -0.560 0.000 1.189 74 K HN 0.711 nan 8.250 nan 0.000 0.428 75 N N 4.167 122.752 118.700 -0.190 0.000 2.501 75 N HA 0.109 4.854 4.740 0.009 0.000 0.245 75 N C -0.392 175.085 175.510 -0.055 0.000 0.974 75 N CA -0.405 52.647 53.050 0.005 0.000 0.941 75 N CB 0.437 38.955 38.487 0.051 0.000 1.122 75 N HN 0.680 nan 8.380 nan 0.000 0.507 76 W N 2.022 123.400 121.300 0.130 0.000 2.825 76 W HA 0.082 4.748 4.660 0.009 0.000 0.243 76 W C 2.002 178.568 176.519 0.078 0.000 1.293 76 W CA -0.072 57.340 57.345 0.112 0.000 1.403 76 W CB 0.252 29.802 29.460 0.150 0.000 1.134 76 W HN 0.644 nan 8.180 nan 0.000 0.666 77 E N 0.402 120.742 120.200 0.232 0.000 2.102 77 E HA -0.073 4.282 4.350 0.009 0.000 0.190 77 E C 1.692 178.325 176.600 0.054 0.000 0.971 77 E CA 0.836 57.282 56.400 0.077 0.000 0.821 77 E CB -0.183 29.534 29.700 0.029 0.000 0.777 77 E HN 0.263 nan 8.360 nan 0.000 0.460 78 L N -0.542 120.711 121.223 0.052 0.000 2.585 78 L HA 0.310 4.656 4.340 0.009 0.000 0.226 78 L C 1.492 178.351 176.870 -0.018 0.000 1.113 78 L CA 0.397 55.247 54.840 0.017 0.000 0.876 78 L CB 0.506 42.578 42.059 0.021 0.000 1.072 78 L HN 0.391 nan 8.230 nan 0.000 0.468 79 G N 0.573 109.343 108.800 -0.050 0.000 2.175 79 G HA2 -0.334 3.631 3.960 0.009 0.000 0.265 79 G HA3 -0.334 3.631 3.960 0.009 0.000 0.265 79 G C 0.432 175.244 174.900 -0.147 0.000 0.979 79 G CA 0.565 45.591 45.100 -0.123 0.000 0.663 79 G HN 0.487 nan 8.290 nan 0.000 0.533 80 S N -0.142 115.491 115.700 -0.112 0.000 2.617 80 S HA 0.788 5.263 4.470 0.009 0.000 0.269 80 S C 0.149 174.661 174.600 -0.147 0.000 1.292 80 S CA -0.704 57.436 58.200 -0.101 0.000 1.010 80 S CB 2.100 65.267 63.200 -0.055 0.000 0.944 80 S HN 0.390 nan 8.310 nan 0.000 0.536 81 I N 1.662 122.156 120.570 -0.127 0.000 2.646 81 I HA 0.630 4.805 4.170 0.009 0.000 0.299 81 I C 0.200 176.234 176.117 -0.139 0.000 1.036 81 I CA -0.221 60.973 61.300 -0.176 0.000 1.074 81 I CB 1.792 39.681 38.000 -0.184 0.000 1.258 81 I HN 1.081 nan 8.210 nan 0.000 0.430 82 T N 1.362 115.784 114.554 -0.220 0.000 2.868 82 T HA 0.667 5.023 4.350 0.009 0.000 0.306 82 T C -1.475 173.053 174.700 -0.286 0.000 1.224 82 T CA -0.698 61.326 62.100 -0.126 0.000 1.012 82 T CB 1.771 70.604 68.868 -0.059 0.000 1.221 82 T HN 0.247 nan 8.240 nan 0.000 0.499 83 Y N 0.598 120.884 120.300 -0.024 0.000 2.350 83 Y HA 0.495 5.051 4.550 0.009 0.000 0.338 83 Y C 0.001 175.870 175.900 -0.052 0.000 0.961 83 Y CA -0.950 57.147 58.100 -0.006 0.000 1.100 83 Y CB 1.696 40.158 38.460 0.004 0.000 1.179 83 Y HN 0.740 nan 8.280 nan 0.000 0.454 84 D N 2.101 122.564 120.400 0.106 0.000 2.347 84 D HA 0.083 4.729 4.640 0.009 0.000 0.235 84 D C 0.668 176.943 176.300 -0.042 0.000 1.149 84 D CA 0.093 54.117 54.000 0.039 0.000 0.850 84 D CB 1.279 42.140 40.800 0.100 0.000 1.061 84 D HN 0.785 nan 8.370 nan 0.000 0.487 85 T N 1.101 115.507 114.554 -0.247 0.000 3.001 85 T HA -0.033 4.323 4.350 0.009 0.000 0.251 85 T C 1.804 176.367 174.700 -0.228 0.000 1.040 85 T CA -0.257 61.525 62.100 -0.530 0.000 0.985 85 T CB 0.100 68.402 68.868 -0.943 0.000 1.011 85 T HN 0.261 nan 8.240 nan 0.000 0.509 86 L N 2.453 123.587 121.223 -0.150 0.000 2.141 86 L HA 0.058 4.403 4.340 0.009 0.000 0.209 86 L C 2.642 179.377 176.870 -0.226 0.000 1.094 86 L CA 1.400 56.184 54.840 -0.093 0.000 0.763 86 L CB -0.967 41.114 42.059 0.037 0.000 0.908 86 L HN 0.642 nan 8.230 nan 0.000 0.437 87 C N -1.168 117.789 119.300 -0.572 0.000 2.409 87 C HA -0.022 4.444 4.460 0.009 0.000 0.284 87 C C 2.802 177.550 174.990 -0.404 0.000 1.354 87 C CA 0.226 58.570 59.018 -1.123 0.000 1.787 87 C CB -2.292 24.755 27.740 -1.155 0.000 1.900 87 C HN 0.597 nan 8.230 nan 0.000 0.520 88 A N 0.296 123.028 122.820 -0.146 0.000 2.070 88 A HA -0.113 4.212 4.320 0.009 0.000 0.220 88 A C 2.258 179.831 177.584 -0.018 0.000 1.159 88 A CA 1.587 53.620 52.037 -0.006 0.000 0.656 88 A CB -0.418 18.673 19.000 0.151 0.000 0.800 88 A HN 0.727 nan 8.150 nan 0.000 0.453 89 Q N 0.098 119.875 119.800 -0.038 0.000 2.451 89 Q HA 0.079 4.425 4.340 0.009 0.000 0.206 89 Q C 0.937 176.952 176.000 0.025 0.000 0.947 89 Q CA 0.411 56.218 55.803 0.006 0.000 0.937 89 Q CB -0.564 28.186 28.738 0.020 0.000 1.025 89 Q HN 0.527 nan 8.270 nan 0.000 0.511 90 S N 0.976 116.680 115.700 0.006 0.000 2.558 90 S HA -0.035 4.440 4.470 0.009 0.000 0.288 90 S C 0.799 175.427 174.600 0.046 0.000 1.318 90 S CA 0.269 58.504 58.200 0.058 0.000 1.056 90 S CB 0.500 63.738 63.200 0.063 0.000 0.853 90 S HN 0.116 nan 8.310 nan 0.000 0.505 91 Q N 1.637 121.472 119.800 0.057 0.000 2.140 91 Q HA 0.260 4.606 4.340 0.009 0.000 0.227 91 Q C -0.533 175.493 176.000 0.044 0.000 0.798 91 Q CA 0.035 55.865 55.803 0.046 0.000 0.987 91 Q CB 0.839 29.607 28.738 0.050 0.000 1.161 91 Q HN 0.800 nan 8.270 nan 0.000 0.480 92 Q N 1.165 120.996 119.800 0.051 0.000 2.331 92 Q HA 0.254 4.599 4.340 0.009 0.000 0.267 92 Q C -1.217 174.813 176.000 0.050 0.000 1.006 92 Q CA -0.328 55.502 55.803 0.045 0.000 0.818 92 Q CB 1.176 29.939 28.738 0.041 0.000 1.276 92 Q HN -0.135 nan 8.270 nan 0.000 0.450 93 D N 2.541 122.965 120.400 0.040 0.000 2.382 93 D HA 0.309 4.954 4.640 0.009 0.000 0.245 93 D C 0.171 176.497 176.300 0.044 0.000 1.120 93 D CA 0.324 54.349 54.000 0.041 0.000 0.890 93 D CB 1.325 42.143 40.800 0.031 0.000 1.201 93 D HN 0.707 nan 8.370 nan 0.000 0.433 94 G N 1.000 109.830 108.800 0.051 0.000 2.531 94 G HA2 0.324 4.289 3.960 0.009 0.000 0.281 94 G HA3 0.324 4.289 3.960 0.009 0.000 0.281 94 G C -1.619 173.306 174.900 0.042 0.000 1.382 94 G CA -0.635 44.495 45.100 0.051 0.000 1.045 94 G HN 0.313 nan 8.290 nan 0.000 0.533 95 P HA 0.153 nan 4.420 nan 0.000 0.245 95 P C 0.341 177.663 177.300 0.036 0.000 1.203 95 P CA -0.005 63.117 63.100 0.038 0.000 0.792 95 P CB 0.212 31.937 31.700 0.042 0.000 0.997 96 C N 0.880 120.204 119.300 0.040 0.000 2.520 96 C HA 0.604 5.069 4.460 0.009 0.000 0.376 96 C C 1.091 176.098 174.990 0.030 0.000 1.268 96 C CA 0.157 59.196 59.018 0.036 0.000 2.414 96 C CB 0.798 28.563 27.740 0.041 0.000 2.521 96 C HN 0.361 nan 8.230 nan 0.000 0.618 97 T N -1.899 112.670 114.554 0.024 0.000 2.841 97 T HA 0.423 4.778 4.350 0.009 0.000 0.296 97 T C -2.546 172.163 174.700 0.016 0.000 1.166 97 T CA -1.086 61.025 62.100 0.019 0.000 1.007 97 T CB 1.248 70.125 68.868 0.015 0.000 1.253 97 T HN 0.265 nan 8.240 nan 0.000 0.511 98 P HA 0.013 nan 4.420 nan 0.000 0.225 98 P C 1.415 178.719 177.300 0.008 0.000 1.148 98 P CA 0.588 63.694 63.100 0.010 0.000 0.779 98 P CB 0.068 31.772 31.700 0.006 0.000 0.780 99 R N -0.370 120.135 120.500 0.009 0.000 2.173 99 R HA 0.079 4.425 4.340 0.009 0.000 0.208 99 R C 0.604 176.909 176.300 0.008 0.000 1.035 99 R CA 0.456 56.561 56.100 0.007 0.000 1.004 99 R CB 0.125 30.430 30.300 0.007 0.000 0.917 99 R HN 0.031 nan 8.270 nan 0.000 0.462 100 R N 0.433 120.939 120.500 0.011 0.000 2.594 100 R HA 0.204 4.549 4.340 0.009 0.000 0.265 100 R C -1.955 174.355 176.300 0.017 0.000 1.070 100 R CA -0.716 55.391 56.100 0.012 0.000 0.909 100 R CB 0.426 30.733 30.300 0.012 0.000 1.243 100 R HN 0.098 nan 8.270 nan 0.000 0.455 101 C N 4.348 123.658 119.300 0.018 0.000 2.325 101 C HA 0.539 5.004 4.460 0.009 0.000 0.347 101 C C 0.852 175.861 174.990 0.031 0.000 1.263 101 C CA -0.647 58.386 59.018 0.024 0.000 1.806 101 C CB -0.915 26.836 27.740 0.019 0.000 2.405 101 C HN 0.763 nan 8.230 nan 0.000 0.537 102 L N 5.813 127.059 121.223 0.039 0.000 3.017 102 L HA 0.275 4.620 4.340 0.009 0.000 0.255 102 L C 2.068 178.976 176.870 0.064 0.000 1.247 102 L CA 0.240 55.108 54.840 0.046 0.000 1.038 102 L CB -0.134 41.950 42.059 0.041 0.000 1.380 102 L HN 1.022 nan 8.230 nan 0.000 0.548 103 G N 0.376 109.216 108.800 0.068 0.000 2.462 103 G HA2 -0.281 3.685 3.960 0.009 0.000 0.220 103 G HA3 -0.281 3.685 3.960 0.009 0.000 0.220 103 G C 1.642 176.620 174.900 0.130 0.000 1.121 103 G CA 1.155 46.309 45.100 0.090 0.000 0.758 103 G HN 0.511 nan 8.290 nan 0.000 0.559 104 S N -0.516 115.256 115.700 0.120 0.000 2.561 104 S HA 0.257 4.732 4.470 0.009 0.000 0.225 104 S C 0.749 175.448 174.600 0.166 0.000 0.977 104 S CA -0.333 57.958 58.200 0.152 0.000 0.926 104 S CB -0.120 63.143 63.200 0.105 0.000 0.769 104 S HN -0.014 nan 8.310 nan 0.000 0.533 105 L N 2.192 123.497 121.223 0.135 0.000 2.410 105 L HA 0.249 4.595 4.340 0.009 0.000 0.273 105 L C 1.414 178.391 176.870 0.179 0.000 1.152 105 L CA 0.164 55.080 54.840 0.126 0.000 0.855 105 L CB 0.809 42.917 42.059 0.081 0.000 1.129 105 L HN -0.009 nan 8.230 nan 0.000 0.463 106 V N 3.709 123.740 119.914 0.194 0.000 2.307 106 V HA -0.131 3.994 4.120 0.009 0.000 0.245 106 V C 0.906 177.081 176.094 0.135 0.000 1.045 106 V CA 1.246 63.705 62.300 0.265 0.000 1.024 106 V CB -0.305 31.662 31.823 0.240 0.000 0.651 106 V HN 0.490 nan 8.190 nan 0.000 0.449 107 L N 3.079 124.325 121.223 0.038 0.000 2.356 107 L HA 0.380 4.726 4.340 0.009 0.000 0.264 107 L C -2.407 174.480 176.870 0.029 0.000 1.029 107 L CA -1.331 53.496 54.840 -0.021 0.000 0.897 107 L CB 1.239 43.214 42.059 -0.140 0.000 1.256 107 L HN 0.201 nan 8.230 nan 0.000 0.444 108 P HA 0.181 nan 4.420 nan 0.000 0.287 108 P C 0.326 177.652 177.300 0.045 0.000 1.307 108 P CA -0.651 62.480 63.100 0.052 0.000 0.777 108 P CB 1.224 32.959 31.700 0.057 0.000 0.883 109 R N 2.309 122.825 120.500 0.027 0.000 2.472 109 R HA -0.106 4.239 4.340 0.009 0.000 0.221 109 R C 1.285 177.600 176.300 0.024 0.000 1.155 109 R CA 0.710 56.821 56.100 0.019 0.000 1.088 109 R CB -0.175 30.130 30.300 0.009 0.000 0.814 109 R HN 0.475 nan 8.270 nan 0.000 0.489 110 K N 0.079 120.499 120.400 0.033 0.000 2.005 110 K HA -0.049 4.277 4.320 0.009 0.000 0.214 110 K C 2.144 178.764 176.600 0.032 0.000 1.030 110 K CA 0.568 56.873 56.287 0.030 0.000 0.955 110 K CB -1.026 31.493 32.500 0.033 0.000 0.767 110 K HN -0.036 nan 8.250 nan 0.000 0.446 111 L N 1.676 122.923 121.223 0.041 0.000 1.976 111 L HA -0.225 4.120 4.340 0.009 0.000 0.223 111 L C 1.287 178.184 176.870 0.045 0.000 1.081 111 L CA 1.267 56.130 54.840 0.038 0.000 0.784 111 L CB -1.467 40.616 42.059 0.039 0.000 0.896 111 L HN 0.361 nan 8.230 nan 0.000 0.438 112 Q N 1.431 121.275 119.800 0.074 0.000 2.334 112 Q HA -0.191 4.154 4.340 0.009 0.000 0.327 112 Q C -0.093 175.922 176.000 0.026 0.000 1.142 112 Q CA 0.745 56.586 55.803 0.063 0.000 1.099 112 Q CB -0.970 27.790 28.738 0.037 0.000 1.252 112 Q HN 0.558 nan 8.270 nan 0.000 0.301 113 T N 1.150 115.719 114.554 0.025 0.000 4.052 113 T HA 0.005 4.360 4.350 0.009 0.000 0.215 113 T C 0.222 174.915 174.700 -0.012 0.000 0.914 113 T CA -0.280 61.823 62.100 0.004 0.000 1.461 113 T CB -0.189 68.680 68.868 0.002 0.000 1.233 113 T HN 0.425 nan 8.240 nan 0.000 0.829 114 R N 3.342 123.832 120.500 -0.016 0.000 2.473 114 R HA 0.157 4.502 4.340 0.009 0.000 0.315 114 R C -2.316 173.966 176.300 -0.031 0.000 0.972 114 R CA -1.741 54.341 56.100 -0.030 0.000 1.047 114 R CB -0.541 29.743 30.300 -0.026 0.000 0.932 114 R HN 0.276 nan 8.270 nan 0.000 0.411 115 P HA -0.104 nan 4.420 nan 0.000 0.212 115 P C -0.930 176.354 177.300 -0.027 0.000 0.974 115 P CA 0.760 63.839 63.100 -0.035 0.000 1.226 115 P CB 0.018 31.692 31.700 -0.043 0.000 1.258 116 S N 4.949 120.635 115.700 -0.023 0.000 2.525 116 S HA 0.035 4.511 4.470 0.009 0.000 0.285 116 S C -0.683 173.908 174.600 -0.016 0.000 1.283 116 S CA -0.736 57.453 58.200 -0.018 0.000 1.072 116 S CB 0.204 63.394 63.200 -0.017 0.000 0.867 116 S HN 0.376 nan 8.310 nan 0.000 0.492 117 P HA -0.088 nan 4.420 nan 0.000 0.214 117 P C 0.785 178.080 177.300 -0.007 0.000 1.172 117 P CA 1.211 64.306 63.100 -0.008 0.000 0.925 117 P CB -0.084 31.613 31.700 -0.005 0.000 0.793 118 G N -1.719 107.078 108.800 -0.007 0.000 2.552 118 G HA2 0.524 4.489 3.960 0.009 0.000 0.324 118 G HA3 0.524 4.489 3.960 0.009 0.000 0.324 118 G C -2.752 172.142 174.900 -0.010 0.000 1.217 118 G CA -1.299 43.798 45.100 -0.006 0.000 0.989 118 G HN -0.047 nan 8.290 nan 0.000 0.490 119 P HA 0.195 nan 4.420 nan 0.000 0.268 119 P C -2.200 175.096 177.300 -0.008 0.000 1.208 119 P CA -0.476 62.616 63.100 -0.015 0.000 0.777 119 P CB -0.010 31.684 31.700 -0.010 0.000 0.875 120 P HA 0.085 nan 4.420 nan 0.000 0.267 120 P C -2.328 174.976 177.300 0.008 0.000 1.201 120 P CA -0.682 62.418 63.100 -0.001 0.000 0.775 120 P CB -0.951 30.750 31.700 0.001 0.000 0.854 121 P HA -0.067 nan 4.420 nan 0.000 0.260 121 P C 0.670 177.980 177.300 0.016 0.000 1.185 121 P CA 0.584 63.691 63.100 0.011 0.000 0.763 121 P CB 0.147 31.853 31.700 0.010 0.000 0.776 122 A N 4.028 126.858 122.820 0.017 0.000 2.023 122 A HA -0.301 4.024 4.320 0.009 0.000 0.223 122 A C 2.079 179.675 177.584 0.021 0.000 1.180 122 A CA 2.066 54.116 52.037 0.022 0.000 0.659 122 A CB -0.786 18.226 19.000 0.019 0.000 0.817 122 A HN 0.485 nan 8.150 nan 0.000 0.466 123 E N -1.257 118.953 120.200 0.016 0.000 2.122 123 E HA -0.055 4.300 4.350 0.009 0.000 0.190 123 E C 2.114 178.726 176.600 0.019 0.000 0.977 123 E CA 1.143 57.551 56.400 0.014 0.000 0.820 123 E CB -0.272 29.434 29.700 0.011 0.000 0.770 123 E HN 0.667 nan 8.360 nan 0.000 0.462 124 Q N -0.034 119.778 119.800 0.021 0.000 2.084 124 Q HA -0.126 4.219 4.340 0.009 0.000 0.202 124 Q C 2.035 178.056 176.000 0.035 0.000 0.978 124 Q CA 1.383 57.200 55.803 0.024 0.000 0.844 124 Q CB -0.352 28.397 28.738 0.019 0.000 0.898 124 Q HN 0.335 nan 8.270 nan 0.000 0.426 125 L N -0.526 120.722 121.223 0.041 0.000 2.056 125 L HA -0.101 4.244 4.340 0.009 0.000 0.207 125 L C 1.995 178.907 176.870 0.070 0.000 1.078 125 L CA 1.416 56.297 54.840 0.068 0.000 0.749 125 L CB -0.726 41.380 42.059 0.078 0.000 0.901 125 L HN 0.364 nan 8.230 nan 0.000 0.433 126 L N -0.363 120.882 121.223 0.036 0.000 1.989 126 L HA -0.229 4.116 4.340 0.009 0.000 0.211 126 L C 2.816 179.693 176.870 0.012 0.000 1.071 126 L CA 2.416 57.258 54.840 0.004 0.000 0.749 126 L CB -1.290 40.768 42.059 -0.002 0.000 0.890 126 L HN 0.685 nan 8.230 nan 0.000 0.431 127 S N -1.368 114.348 115.700 0.027 0.000 2.382 127 S HA -0.241 4.235 4.470 0.009 0.000 0.228 127 S C 1.814 176.452 174.600 0.063 0.000 1.027 127 S CA 1.084 59.306 58.200 0.036 0.000 0.991 127 S CB -0.398 62.821 63.200 0.032 0.000 0.823 127 S HN 0.530 nan 8.310 nan 0.000 0.469 128 Q N 1.114 120.959 119.800 0.075 0.000 2.050 128 Q HA 0.019 4.364 4.340 0.009 0.000 0.202 128 Q C 2.681 178.778 176.000 0.161 0.000 0.980 128 Q CA 1.501 57.369 55.803 0.108 0.000 0.840 128 Q CB -0.560 28.236 28.738 0.097 0.000 0.898 128 Q HN 0.774 nan 8.270 nan 0.000 0.424 129 A N 1.197 124.101 122.820 0.140 0.000 1.902 129 A HA -0.199 4.126 4.320 0.009 0.000 0.217 129 A C 1.992 179.648 177.584 0.119 0.000 1.181 129 A CA 1.262 53.379 52.037 0.134 0.000 0.623 129 A CB -0.429 18.447 19.000 -0.206 0.000 0.818 129 A HN 0.213 nan 8.150 nan 0.000 0.443 130 R N -0.638 119.897 120.500 0.058 0.000 2.091 130 R HA -0.186 4.159 4.340 0.009 0.000 0.238 130 R C 1.994 178.369 176.300 0.125 0.000 1.136 130 R CA 1.721 57.863 56.100 0.069 0.000 0.959 130 R CB -0.503 29.818 30.300 0.035 0.000 0.856 130 R HN 0.736 nan 8.270 nan 0.000 0.437 131 D N 0.105 120.587 120.400 0.138 0.000 2.084 131 D HA -0.207 4.438 4.640 0.009 0.000 0.194 131 D C 1.695 178.112 176.300 0.196 0.000 0.990 131 D CA 1.055 55.145 54.000 0.149 0.000 0.826 131 D CB -0.105 40.780 40.800 0.142 0.000 0.971 131 D HN 0.113 nan 8.370 nan 0.000 0.453 132 F N 0.929 120.963 119.950 0.139 0.000 2.095 132 F HA -0.141 4.390 4.527 0.008 0.000 0.298 132 F C 1.944 177.878 175.800 0.224 0.000 1.104 132 F CA 1.145 59.259 58.000 0.191 0.000 1.232 132 F CB -0.311 38.808 39.000 0.198 0.000 0.987 132 F HN 0.015 nan 8.300 nan 0.000 0.475 133 I N 0.995 121.557 120.570 -0.014 0.000 2.208 133 I HA -0.322 3.854 4.170 0.009 0.000 0.245 133 I C 2.040 178.153 176.117 -0.007 0.000 1.097 133 I CA 1.282 62.566 61.300 -0.027 0.000 1.363 133 I CB -1.722 36.396 38.000 0.196 0.000 1.051 133 I HN 0.243 nan 8.210 nan 0.000 0.413 134 N N 0.948 119.684 118.700 0.059 0.000 2.166 134 N HA -0.196 4.549 4.740 0.009 0.000 0.186 134 N C 1.834 177.282 175.510 -0.104 0.000 1.019 134 N CA 1.104 54.162 53.050 0.013 0.000 0.856 134 N CB -0.346 38.219 38.487 0.130 0.000 0.993 134 N HN 0.529 nan 8.380 nan 0.000 0.426 135 Q N -0.631 119.121 119.800 -0.080 0.000 2.084 135 Q HA -0.166 4.180 4.340 0.009 0.000 0.202 135 Q C 1.740 177.537 176.000 -0.339 0.000 0.978 135 Q CA 1.130 56.898 55.803 -0.058 0.000 0.844 135 Q CB -0.234 28.605 28.738 0.168 0.000 0.898 135 Q HN 0.455 nan 8.270 nan 0.000 0.426 136 Y N 0.070 119.949 120.300 -0.701 0.000 2.114 136 Y HA -0.279 4.276 4.550 0.007 0.000 0.284 136 Y C 1.677 177.044 175.900 -0.889 0.000 1.143 136 Y CA 1.540 58.966 58.100 -1.124 0.000 1.135 136 Y CB -0.481 37.371 38.460 -1.013 0.000 0.980 136 Y HN 0.070 nan 8.280 nan 0.000 0.499 137 Y N -0.479 119.400 120.300 -0.701 0.000 2.352 137 Y HA -0.196 4.360 4.550 0.010 0.000 0.292 137 Y C 2.748 178.328 175.900 -0.534 0.000 1.136 137 Y CA 1.588 59.278 58.100 -0.684 0.000 1.227 137 Y CB -0.405 37.597 38.460 -0.764 0.000 0.991 137 Y HN 0.090 nan 8.280 nan 0.000 0.545 138 S N -0.688 114.808 115.700 -0.339 0.000 2.371 138 S HA -0.187 4.288 4.470 0.009 0.000 0.224 138 S C 2.248 176.682 174.600 -0.277 0.000 1.029 138 S CA 1.278 59.345 58.200 -0.223 0.000 0.978 138 S CB -0.551 62.568 63.200 -0.136 0.000 0.833 138 S HN 0.632 nan 8.310 nan 0.000 0.466 139 S N 2.403 117.846 115.700 -0.430 0.000 2.419 139 S HA -0.079 4.397 4.470 0.009 0.000 0.235 139 S C 1.501 175.862 174.600 -0.399 0.000 1.019 139 S CA 1.145 59.108 58.200 -0.395 0.000 0.982 139 S CB -0.850 61.951 63.200 -0.665 0.000 0.789 139 S HN 0.737 nan 8.310 nan 0.000 0.490 140 I N -3.388 116.857 120.570 -0.541 0.000 3.914 140 I HA 0.426 4.602 4.170 0.009 0.000 0.333 140 I C -0.489 175.477 176.117 -0.252 0.000 1.449 140 I CA -0.688 60.360 61.300 -0.421 0.000 1.135 140 I CB -0.040 37.603 38.000 -0.595 0.000 1.073 140 I HN -0.163 nan 8.210 nan 0.000 0.401 141 K N 2.460 122.737 120.400 -0.204 0.000 3.257 141 K HA -0.154 4.171 4.320 0.009 0.000 0.270 141 K C -0.165 176.388 176.600 -0.078 0.000 0.984 141 K CA 0.485 56.702 56.287 -0.117 0.000 0.739 141 K CB -1.442 31.005 32.500 -0.087 0.000 1.351 141 K HN 0.595 nan 8.250 nan 0.000 0.463 142 R N -0.900 119.561 120.500 -0.064 0.000 2.599 142 R HA 0.112 4.457 4.340 0.009 0.000 0.451 142 R C -0.408 175.921 176.300 0.049 0.000 0.988 142 R CA -0.309 55.800 56.100 0.015 0.000 1.085 142 R CB 0.548 30.897 30.300 0.082 0.000 1.452 142 R HN 0.070 nan 8.270 nan 0.000 0.596 143 S N -0.236 115.478 115.700 0.023 0.000 2.560 143 S HA 0.305 4.780 4.470 0.009 0.000 0.284 143 S C 1.361 176.046 174.600 0.142 0.000 1.327 143 S CA 1.016 59.281 58.200 0.109 0.000 1.055 143 S CB 0.997 64.233 63.200 0.059 0.000 0.868 143 S HN 0.664 nan 8.310 nan 0.000 0.506 144 G N 1.864 110.811 108.800 0.244 0.000 2.189 144 G HA2 -0.329 3.637 3.960 0.009 0.000 0.267 144 G HA3 -0.329 3.637 3.960 0.009 0.000 0.267 144 G C 0.359 175.243 174.900 -0.026 0.000 0.975 144 G CA 0.455 45.563 45.100 0.014 0.000 0.644 144 G HN 1.199 nan 8.290 nan 0.000 0.537 145 S N -0.710 114.996 115.700 0.010 0.000 2.596 145 S HA 0.396 4.872 4.470 0.009 0.000 0.260 145 S C 1.328 175.888 174.600 -0.066 0.000 1.336 145 S CA 0.757 58.945 58.200 -0.021 0.000 0.993 145 S CB 1.316 64.520 63.200 0.007 0.000 0.923 145 S HN 0.516 nan 8.310 nan 0.000 0.567 146 Q N 0.561 120.332 119.800 -0.048 0.000 2.124 146 Q HA -0.123 4.222 4.340 0.009 0.000 0.202 146 Q C 2.228 178.188 176.000 -0.068 0.000 0.977 146 Q CA 1.514 57.284 55.803 -0.055 0.000 0.850 146 Q CB -0.719 28.003 28.738 -0.027 0.000 0.901 146 Q HN 0.941 nan 8.270 nan 0.000 0.429 147 A N -0.112 122.680 122.820 -0.046 0.000 1.969 147 A HA -0.222 4.104 4.320 0.009 0.000 0.218 147 A C 1.837 179.268 177.584 -0.255 0.000 1.169 147 A CA 1.585 53.605 52.037 -0.028 0.000 0.635 147 A CB -0.870 18.209 19.000 0.131 0.000 0.810 147 A HN 0.677 nan 8.150 nan 0.000 0.445 148 H N -0.917 117.747 119.070 -0.677 0.000 2.299 148 H HA -0.074 4.487 4.556 0.009 0.000 0.302 148 H C 1.838 176.868 175.328 -0.498 0.000 1.078 148 H CA 1.113 56.497 56.048 -1.106 0.000 1.323 148 H CB 0.139 29.389 29.762 -0.854 0.000 1.381 148 H HN 0.373 nan 8.280 nan 0.000 0.498 149 E N 0.664 120.664 120.200 -0.333 0.000 2.204 149 E HA -0.142 4.213 4.350 0.009 0.000 0.194 149 E C 2.032 178.540 176.600 -0.154 0.000 0.989 149 E CA 0.740 56.969 56.400 -0.286 0.000 0.824 149 E CB 0.008 29.573 29.700 -0.225 0.000 0.756 149 E HN 0.662 nan 8.360 nan 0.000 0.477 150 E N 0.327 120.460 120.200 -0.112 0.000 2.046 150 E HA -0.163 4.193 4.350 0.009 0.000 0.190 150 E C 2.139 178.730 176.600 -0.015 0.000 0.982 150 E CA 0.737 57.108 56.400 -0.048 0.000 0.800 150 E CB 0.016 29.703 29.700 -0.020 0.000 0.756 150 E HN -0.099 nan 8.360 nan 0.000 0.449 151 R N 1.122 121.623 120.500 0.001 0.000 2.096 151 R HA -0.100 4.246 4.340 0.009 0.000 0.235 151 R C 2.007 178.337 176.300 0.051 0.000 1.127 151 R CA 1.189 57.341 56.100 0.086 0.000 0.968 151 R CB -0.593 29.846 30.300 0.231 0.000 0.861 151 R HN 0.183 nan 8.270 nan 0.000 0.440 152 L N -0.083 121.140 121.223 0.000 0.000 2.017 152 L HA -0.196 4.149 4.340 0.009 0.000 0.208 152 L C 2.472 179.317 176.870 -0.041 0.000 1.073 152 L CA 1.746 56.570 54.840 -0.027 0.000 0.745 152 L CB -0.460 41.541 42.059 -0.095 0.000 0.894 152 L HN 0.306 nan 8.230 nan 0.000 0.432 153 Q N -0.474 119.301 119.800 -0.042 0.000 2.167 153 Q HA -0.245 4.100 4.340 0.009 0.000 0.202 153 Q C 2.086 178.079 176.000 -0.010 0.000 0.970 153 Q CA 1.428 57.212 55.803 -0.031 0.000 0.855 153 Q CB -0.068 28.652 28.738 -0.030 0.000 0.911 153 Q HN 0.467 nan 8.270 nan 0.000 0.438 154 E N 0.203 120.407 120.200 0.006 0.000 2.047 154 E HA -0.172 4.183 4.350 0.009 0.000 0.191 154 E C 1.951 178.566 176.600 0.025 0.000 0.987 154 E CA 1.100 57.519 56.400 0.031 0.000 0.799 154 E CB 0.187 29.922 29.700 0.059 0.000 0.752 154 E HN 0.136 nan 8.360 nan 0.000 0.449 155 V N 1.393 121.297 119.914 -0.016 0.000 2.295 155 V HA -0.245 3.880 4.120 0.009 0.000 0.246 155 V C 2.100 178.134 176.094 -0.100 0.000 1.049 155 V CA 2.124 64.358 62.300 -0.111 0.000 1.024 155 V CB -0.457 31.194 31.823 -0.287 0.000 0.648 155 V HN 0.301 nan 8.190 nan 0.000 0.447 156 E N 0.225 120.381 120.200 -0.074 0.000 2.051 156 E HA -0.204 4.151 4.350 0.009 0.000 0.192 156 E C 2.351 178.945 176.600 -0.010 0.000 0.991 156 E CA 1.293 57.666 56.400 -0.046 0.000 0.799 156 E CB -0.386 29.291 29.700 -0.039 0.000 0.748 156 E HN 0.586 nan 8.360 nan 0.000 0.449 157 A N 1.595 124.416 122.820 0.001 0.000 1.892 157 A HA -0.321 4.005 4.320 0.009 0.000 0.218 157 A C 2.096 179.703 177.584 0.037 0.000 1.188 157 A CA 2.027 54.075 52.037 0.018 0.000 0.631 157 A CB -0.623 18.390 19.000 0.022 0.000 0.822 157 A HN 0.311 nan 8.150 nan 0.000 0.447 158 E N -0.483 119.750 120.200 0.055 0.000 2.077 158 E HA -0.135 4.221 4.350 0.009 0.000 0.193 158 E C 1.835 178.491 176.600 0.092 0.000 0.989 158 E CA 1.444 57.901 56.400 0.094 0.000 0.800 158 E CB -0.149 29.641 29.700 0.150 0.000 0.746 158 E HN 0.304 nan 8.360 nan 0.000 0.452 159 V N 1.056 121.014 119.914 0.074 0.000 2.490 159 V HA -0.244 3.881 4.120 0.009 0.000 0.250 159 V C 2.367 178.490 176.094 0.048 0.000 1.061 159 V CA 1.666 64.009 62.300 0.072 0.000 1.064 159 V CB -0.628 31.223 31.823 0.047 0.000 0.670 159 V HN 0.453 nan 8.190 nan 0.000 0.461 160 A N 0.551 123.392 122.820 0.035 0.000 1.933 160 A HA -0.176 4.149 4.320 0.009 0.000 0.218 160 A C 2.455 180.059 177.584 0.032 0.000 1.175 160 A CA 2.194 54.248 52.037 0.027 0.000 0.628 160 A CB -0.489 18.522 19.000 0.019 0.000 0.814 160 A HN 0.684 nan 8.150 nan 0.000 0.444 161 S N -1.851 113.873 115.700 0.041 0.000 2.503 161 S HA -0.001 4.474 4.470 0.009 0.000 0.215 161 S C 1.426 176.055 174.600 0.049 0.000 1.003 161 S CA 1.256 59.482 58.200 0.042 0.000 0.910 161 S CB -0.277 62.949 63.200 0.044 0.000 0.790 161 S HN 0.759 nan 8.310 nan 0.000 0.514 162 T N -4.258 110.331 114.554 0.059 0.000 2.986 162 T HA 0.554 4.909 4.350 0.009 0.000 0.264 162 T C 1.554 176.283 174.700 0.049 0.000 0.964 162 T CA 0.719 62.856 62.100 0.061 0.000 0.895 162 T CB 0.242 69.163 68.868 0.089 0.000 1.163 162 T HN 1.138 nan 8.240 nan 0.000 0.517 163 G N 0.381 109.210 108.800 0.048 0.000 2.199 163 G HA2 -0.199 3.766 3.960 0.009 0.000 0.254 163 G HA3 -0.199 3.766 3.960 0.009 0.000 0.254 163 G C 0.210 175.136 174.900 0.042 0.000 0.982 163 G CA 0.630 45.752 45.100 0.038 0.000 0.632 163 G HN 1.003 nan 8.290 nan 0.000 0.529 164 T N -1.402 113.182 114.554 0.050 0.000 2.618 164 T HA 0.744 5.100 4.350 0.009 0.000 0.293 164 T C -1.230 173.540 174.700 0.116 0.000 1.093 164 T CA 0.513 62.632 62.100 0.032 0.000 1.061 164 T CB 1.399 70.197 68.868 -0.116 0.000 1.498 164 T HN 1.583 nan 8.240 nan 0.000 0.494 165 Y N -0.970 119.203 120.300 -0.211 0.000 2.750 165 Y HA 0.784 5.339 4.550 0.008 0.000 0.335 165 Y C -1.737 173.904 175.900 -0.432 0.000 1.252 165 Y CA -1.214 56.780 58.100 -0.177 0.000 1.064 165 Y CB 0.738 39.180 38.460 -0.029 0.000 1.321 165 Y HN 0.778 nan 8.280 nan 0.000 0.451 166 H N 0.832 119.964 119.070 0.103 0.000 2.690 166 H HA 0.668 5.229 4.556 0.009 0.000 0.368 166 H C -0.978 174.438 175.328 0.147 0.000 1.150 166 H CA -0.819 55.229 56.048 0.001 0.000 1.174 166 H CB 2.015 31.799 29.762 0.038 0.000 1.684 166 H HN 0.695 nan 8.280 nan 0.000 0.538 167 L N 2.178 123.512 121.223 0.184 0.000 2.399 167 L HA 0.479 4.824 4.340 0.009 0.000 0.266 167 L C 0.529 177.483 176.870 0.140 0.000 1.114 167 L CA -0.698 54.263 54.840 0.201 0.000 0.804 167 L CB 0.848 42.991 42.059 0.141 0.000 1.146 167 L HN 0.456 nan 8.230 nan 0.000 0.451 168 R N 0.720 121.272 120.500 0.087 0.000 2.560 168 R HA 0.067 4.413 4.340 0.009 0.000 0.270 168 R C 1.046 177.342 176.300 -0.006 0.000 1.074 168 R CA -0.516 55.602 56.100 0.030 0.000 1.140 168 R CB 0.882 31.177 30.300 -0.009 0.000 1.073 168 R HN 0.655 nan 8.270 nan 0.000 0.527 169 E N 1.233 121.429 120.200 -0.006 0.000 2.048 169 E HA -0.302 4.053 4.350 0.009 0.000 0.202 169 E C 1.573 178.159 176.600 -0.024 0.000 1.021 169 E CA 2.548 58.938 56.400 -0.018 0.000 0.825 169 E CB -0.006 29.689 29.700 -0.009 0.000 0.756 169 E HN 0.691 nan 8.360 nan 0.000 0.454 170 S N 0.187 115.872 115.700 -0.025 0.000 2.383 170 S HA -0.226 4.250 4.470 0.009 0.000 0.229 170 S C 1.862 176.448 174.600 -0.023 0.000 1.030 170 S CA 1.545 59.751 58.200 0.010 0.000 1.002 170 S CB -0.459 62.777 63.200 0.061 0.000 0.829 170 S HN 0.357 nan 8.310 nan 0.000 0.467 171 E N 0.746 120.805 120.200 -0.235 0.000 2.085 171 E HA -0.106 4.249 4.350 0.009 0.000 0.194 171 E C 2.031 178.749 176.600 0.197 0.000 0.994 171 E CA 1.243 57.530 56.400 -0.187 0.000 0.801 171 E CB -0.313 29.292 29.700 -0.159 0.000 0.743 171 E HN 0.465 nan 8.360 nan 0.000 0.453 172 L N 0.463 121.714 121.223 0.048 0.000 2.027 172 L HA -0.144 4.201 4.340 0.009 0.000 0.206 172 L C 2.180 179.035 176.870 -0.025 0.000 1.074 172 L CA 1.400 56.211 54.840 -0.049 0.000 0.745 172 L CB -0.457 41.516 42.059 -0.144 0.000 0.898 172 L HN -0.046 nan 8.230 nan 0.000 0.433 173 V N -0.271 119.655 119.914 0.020 0.000 2.332 173 V HA -0.328 3.797 4.120 0.009 0.000 0.248 173 V C 2.373 178.550 176.094 0.139 0.000 1.055 173 V CA 2.229 64.554 62.300 0.042 0.000 1.038 173 V CB -0.962 30.893 31.823 0.053 0.000 0.651 173 V HN 0.579 nan 8.190 nan 0.000 0.450 174 F N 1.938 121.961 119.950 0.122 0.000 2.134 174 F HA -0.010 4.521 4.527 0.007 0.000 0.299 174 F C 2.159 178.096 175.800 0.229 0.000 1.097 174 F CA 1.668 59.797 58.000 0.214 0.000 1.264 174 F CB -0.912 38.283 39.000 0.324 0.000 1.001 174 F HN 0.120 nan 8.300 nan 0.000 0.479 175 G N -0.270 108.563 108.800 0.056 0.000 2.408 175 G HA2 -0.165 3.801 3.960 0.009 0.000 0.217 175 G HA3 -0.165 3.801 3.960 0.009 0.000 0.217 175 G C 1.837 176.594 174.900 -0.238 0.000 1.150 175 G CA 0.772 45.796 45.100 -0.126 0.000 0.776 175 G HN 0.628 nan 8.290 nan 0.000 0.542 176 A N 1.041 123.758 122.820 -0.172 0.000 1.883 176 A HA -0.052 4.274 4.320 0.009 0.000 0.217 176 A C 2.310 179.888 177.584 -0.010 0.000 1.186 176 A CA 2.054 54.005 52.037 -0.144 0.000 0.624 176 A CB -0.395 18.549 19.000 -0.092 0.000 0.822 176 A HN 0.377 nan 8.150 nan 0.000 0.444 177 K N -0.875 119.555 120.400 0.051 0.000 2.057 177 K HA -0.137 4.189 4.320 0.009 0.000 0.207 177 K C 2.359 179.022 176.600 0.106 0.000 1.049 177 K CA 1.335 57.759 56.287 0.229 0.000 0.931 177 K CB -0.172 32.512 32.500 0.308 0.000 0.714 177 K HN 0.391 nan 8.250 nan 0.000 0.440 178 Q N 0.285 119.964 119.800 -0.202 0.000 2.084 178 Q HA -0.124 4.222 4.340 0.009 0.000 0.202 178 Q C 2.222 178.083 176.000 -0.233 0.000 0.978 178 Q CA 1.664 57.253 55.803 -0.356 0.000 0.844 178 Q CB -0.360 28.046 28.738 -0.554 0.000 0.898 178 Q HN 0.340 nan 8.270 nan 0.000 0.426 179 A N 0.176 122.862 122.820 -0.223 0.000 1.908 179 A HA -0.191 4.135 4.320 0.009 0.000 0.218 179 A C 1.814 179.440 177.584 0.070 0.000 1.181 179 A CA 1.493 53.362 52.037 -0.281 0.000 0.627 179 A CB -0.951 17.574 19.000 -0.792 0.000 0.818 179 A HN 0.558 nan 8.150 nan 0.000 0.445 180 W N 0.868 122.193 121.300 0.041 0.000 2.409 180 W HA -0.077 4.587 4.660 0.007 0.000 0.299 180 W C 2.276 178.769 176.519 -0.043 0.000 1.203 180 W CA 1.341 58.748 57.345 0.104 0.000 1.298 180 W CB -0.669 28.829 29.460 0.064 0.000 1.127 180 W HN 0.359 nan 8.180 nan 0.000 0.528 181 R N 0.431 120.865 120.500 -0.110 0.000 2.127 181 R HA -0.194 4.152 4.340 0.009 0.000 0.238 181 R C 1.579 177.710 176.300 -0.281 0.000 1.134 181 R CA 1.872 57.687 56.100 -0.475 0.000 0.975 181 R CB -0.522 29.220 30.300 -0.931 0.000 0.865 181 R HN 0.081 nan 8.270 nan 0.000 0.447 182 N N 0.333 118.933 118.700 -0.167 0.000 2.463 182 N HA 0.018 4.763 4.740 0.009 0.000 0.181 182 N C -0.283 175.185 175.510 -0.071 0.000 1.078 182 N CA 0.709 53.685 53.050 -0.124 0.000 0.902 182 N CB 0.268 38.686 38.487 -0.114 0.000 0.970 182 N HN 0.181 nan 8.380 nan 0.000 0.451 183 A N 2.085 124.910 122.820 0.009 0.000 2.496 183 A HA 0.181 4.506 4.320 0.009 0.000 0.278 183 A C -1.262 176.296 177.584 -0.043 0.000 1.137 183 A CA -0.816 51.222 52.037 0.001 0.000 0.805 183 A CB 0.214 19.250 19.000 0.061 0.000 1.077 183 A HN 0.032 nan 8.150 nan 0.000 0.513 184 P HA -0.102 nan 4.420 nan 0.000 0.222 184 P C 1.076 178.317 177.300 -0.099 0.000 1.147 184 P CA 1.118 64.153 63.100 -0.109 0.000 0.790 184 P CB 0.177 31.781 31.700 -0.160 0.000 0.780 185 R N -2.300 118.103 120.500 -0.161 0.000 2.334 185 R HA 0.167 4.512 4.340 0.009 0.000 0.216 185 R C 0.215 176.485 176.300 -0.049 0.000 0.905 185 R CA -0.125 55.884 56.100 -0.152 0.000 1.064 185 R CB -0.276 29.745 30.300 -0.466 0.000 1.046 185 R HN 0.174 nan 8.270 nan 0.000 0.508 186 C N 0.673 119.942 119.300 -0.051 0.000 2.285 186 C HA 0.228 4.694 4.460 0.009 0.000 0.335 186 C C 1.949 176.883 174.990 -0.093 0.000 1.267 186 C CA -0.685 58.323 59.018 -0.017 0.000 1.762 186 C CB 0.661 28.450 27.740 0.082 0.000 2.365 186 C HN 0.289 nan 8.230 nan 0.000 0.527 187 V N 5.950 125.759 119.914 -0.174 0.000 3.129 187 V HA 0.192 4.317 4.120 0.009 0.000 0.259 187 V C 1.752 177.847 176.094 0.002 0.000 1.116 187 V CA 2.227 64.320 62.300 -0.345 0.000 1.127 187 V CB -0.191 31.460 31.823 -0.287 0.000 0.742 187 V HN 1.071 nan 8.190 nan 0.000 0.474 188 G N -0.604 108.231 108.800 0.058 0.000 3.448 188 G HA2 0.072 4.037 3.960 0.009 0.000 0.261 188 G HA3 0.072 4.037 3.960 0.009 0.000 0.261 188 G C 1.172 176.104 174.900 0.054 0.000 1.173 188 G CA -0.355 44.799 45.100 0.090 0.000 0.835 188 G HN 0.444 nan 8.290 nan 0.000 0.534 189 R N -0.182 120.269 120.500 -0.082 0.000 2.328 189 R HA 0.119 4.465 4.340 0.009 0.000 0.207 189 R C 1.958 177.828 176.300 -0.716 0.000 1.056 189 R CA 0.150 55.921 56.100 -0.548 0.000 1.016 189 R CB -0.130 29.827 30.300 -0.572 0.000 0.872 189 R HN 0.460 nan 8.270 nan 0.000 0.471 190 I N 0.836 121.147 120.570 -0.432 0.000 2.916 190 I HA -0.224 3.951 4.170 0.009 0.000 0.267 190 I C 1.201 177.255 176.117 -0.106 0.000 1.263 190 I CA 1.182 62.413 61.300 -0.114 0.000 1.471 190 I CB 0.176 38.215 38.000 0.063 0.000 1.089 190 I HN 0.211 nan 8.210 nan 0.000 0.468 191 Q N 0.401 120.069 119.800 -0.220 0.000 2.319 191 Q HA -0.080 4.265 4.340 0.009 0.000 0.202 191 Q C 1.632 177.251 176.000 -0.634 0.000 0.896 191 Q CA 0.315 55.985 55.803 -0.222 0.000 0.942 191 Q CB -0.159 28.610 28.738 0.052 0.000 1.083 191 Q HN 0.771 nan 8.270 nan 0.000 0.510 192 W N 0.614 121.203 121.300 -1.186 0.000 2.290 192 W HA -0.207 4.460 4.660 0.012 0.000 0.318 192 W C 1.275 177.485 176.519 -0.515 0.000 1.248 192 W CA 1.451 57.942 57.345 -1.424 0.000 1.263 192 W CB -1.515 27.314 29.460 -1.052 0.000 1.147 192 W HN 0.100 nan 8.180 nan 0.000 0.494 193 G N 1.226 109.122 108.800 -1.507 0.000 2.559 193 G HA2 -0.232 3.733 3.960 0.009 0.000 0.216 193 G HA3 -0.232 3.733 3.960 0.009 0.000 0.216 193 G C 1.038 175.647 174.900 -0.484 0.000 1.126 193 G CA 0.427 44.766 45.100 -1.268 0.000 0.778 193 G HN 0.330 nan 8.290 nan 0.000 0.543 194 K N 0.109 120.339 120.400 -0.284 0.000 2.385 194 K HA 0.478 4.804 4.320 0.009 0.000 0.229 194 K C -1.456 175.231 176.600 0.145 0.000 1.089 194 K CA -0.671 55.587 56.287 -0.048 0.000 1.060 194 K CB 0.105 32.608 32.500 0.004 0.000 1.698 194 K HN 0.074 nan 8.250 nan 0.000 0.469 195 L N 2.647 123.946 121.223 0.128 0.000 2.381 195 L HA 0.357 4.703 4.340 0.009 0.000 0.274 195 L C -1.165 175.702 176.870 -0.005 0.000 0.988 195 L CA -0.423 54.524 54.840 0.179 0.000 0.824 195 L CB 1.886 44.143 42.059 0.330 0.000 1.263 195 L HN 0.365 nan 8.230 nan 0.000 0.410 196 Q N 3.455 123.193 119.800 -0.104 0.000 2.337 196 Q HA 0.452 4.798 4.340 0.009 0.000 0.255 196 Q C -1.512 174.169 176.000 -0.532 0.000 0.997 196 Q CA -0.125 55.455 55.803 -0.372 0.000 0.925 196 Q CB 1.032 29.443 28.738 -0.545 0.000 1.212 196 Q HN 0.509 nan 8.270 nan 0.000 0.436 197 V N 6.342 125.986 119.914 -0.450 0.000 2.348 197 V HA 0.336 4.461 4.120 0.009 0.000 0.270 197 V C -0.503 175.325 176.094 -0.443 0.000 1.037 197 V CA -0.518 61.567 62.300 -0.360 0.000 0.872 197 V CB -0.091 31.618 31.823 -0.190 0.000 1.002 197 V HN 0.612 nan 8.190 nan 0.000 0.464 198 F N 2.859 122.688 119.950 -0.201 0.000 2.411 198 F HA 0.353 4.883 4.527 0.004 0.000 0.355 198 F C 0.614 176.247 175.800 -0.278 0.000 1.117 198 F CA -0.841 57.026 58.000 -0.221 0.000 1.139 198 F CB 0.787 39.660 39.000 -0.212 0.000 1.120 198 F HN 0.420 nan 8.300 nan 0.000 0.493 199 D N 3.028 123.392 120.400 -0.060 0.000 2.295 199 D HA 0.464 5.109 4.640 0.009 0.000 0.248 199 D C -0.235 175.897 176.300 -0.280 0.000 1.154 199 D CA -0.004 53.892 54.000 -0.174 0.000 0.857 199 D CB 1.310 42.048 40.800 -0.103 0.000 1.117 199 D HN 0.626 nan 8.370 nan 0.000 0.468 200 A N 4.618 127.131 122.820 -0.512 0.000 2.674 200 A HA 0.185 4.510 4.320 0.009 0.000 0.286 200 A C 1.187 178.490 177.584 -0.468 0.000 0.980 200 A CA -0.440 51.093 52.037 -0.840 0.000 1.028 200 A CB 0.087 17.982 19.000 -1.842 0.000 1.199 200 A HN 0.563 nan 8.150 nan 0.000 0.499 201 R N 0.509 120.865 120.500 -0.239 0.000 2.323 201 R HA -0.030 4.316 4.340 0.009 0.000 0.198 201 R C 0.638 176.908 176.300 -0.050 0.000 0.988 201 R CA 1.076 57.109 56.100 -0.112 0.000 1.041 201 R CB 0.135 30.428 30.300 -0.012 0.000 0.926 201 R HN 0.665 nan 8.270 nan 0.000 0.476 202 D N -0.810 119.580 120.400 -0.017 0.000 2.367 202 D HA -0.066 4.579 4.640 0.009 0.000 0.207 202 D C 0.510 176.889 176.300 0.131 0.000 1.034 202 D CA -0.274 53.765 54.000 0.065 0.000 0.861 202 D CB -0.553 40.303 40.800 0.094 0.000 0.943 202 D HN -0.028 nan 8.370 nan 0.000 0.515 203 C N 2.005 121.392 119.300 0.145 0.000 2.538 203 C HA 0.256 4.721 4.460 0.009 0.000 0.408 203 C C 1.772 176.942 174.990 0.301 0.000 1.421 203 C CA 0.845 60.031 59.018 0.280 0.000 1.642 203 C CB -0.788 27.159 27.740 0.345 0.000 2.553 203 C HN 0.496 nan 8.230 nan 0.000 0.604 204 S N 2.504 118.404 115.700 0.332 0.000 2.733 204 S HA 0.269 4.744 4.470 0.009 0.000 0.247 204 S C 0.089 174.849 174.600 0.267 0.000 1.043 204 S CA 0.306 58.714 58.200 0.346 0.000 1.066 204 S CB -0.098 63.230 63.200 0.214 0.000 1.045 204 S HN 1.230 nan 8.310 nan 0.000 0.586 205 S N -0.149 115.701 115.700 0.251 0.000 2.588 205 S HA 0.828 5.304 4.470 0.009 0.000 0.275 205 S C 0.889 175.571 174.600 0.135 0.000 1.130 205 S CA -0.269 58.022 58.200 0.152 0.000 0.855 205 S CB 1.259 64.531 63.200 0.120 0.000 1.116 205 S HN 0.466 nan 8.310 nan 0.000 0.472 206 A N 0.982 123.855 122.820 0.088 0.000 1.972 206 A HA -0.094 4.231 4.320 0.009 0.000 0.219 206 A C 2.117 179.673 177.584 -0.047 0.000 1.169 206 A CA 2.154 54.228 52.037 0.061 0.000 0.635 206 A CB -1.166 17.930 19.000 0.160 0.000 0.810 206 A HN 0.934 nan 8.150 nan 0.000 0.446 207 Q N 0.169 120.017 119.800 0.080 0.000 2.119 207 Q HA -0.179 4.167 4.340 0.009 0.000 0.201 207 Q C 1.884 177.871 176.000 -0.022 0.000 0.972 207 Q CA 2.230 58.042 55.803 0.015 0.000 0.847 207 Q CB -0.345 28.511 28.738 0.197 0.000 0.903 207 Q HN 0.751 nan 8.270 nan 0.000 0.433 208 E N -0.715 119.519 120.200 0.057 0.000 2.106 208 E HA -0.160 4.195 4.350 0.009 0.000 0.192 208 E C 1.872 178.575 176.600 0.171 0.000 0.984 208 E CA 1.100 57.556 56.400 0.092 0.000 0.806 208 E CB -0.091 29.713 29.700 0.174 0.000 0.750 208 E HN 0.469 nan 8.360 nan 0.000 0.458 209 M N -0.171 119.501 119.600 0.121 0.000 2.149 209 M HA -0.146 4.339 4.480 0.009 0.000 0.261 209 M C 2.087 178.431 176.300 0.074 0.000 1.064 209 M CA 1.382 56.715 55.300 0.054 0.000 1.102 209 M CB -0.301 32.112 32.600 -0.311 0.000 1.369 209 M HN 0.230 nan 8.290 nan 0.000 0.408 210 F N 0.770 120.523 119.950 -0.330 0.000 2.134 210 F HA -0.229 4.305 4.527 0.012 0.000 0.299 210 F C 2.239 177.934 175.800 -0.174 0.000 1.097 210 F CA 1.573 59.324 58.000 -0.416 0.000 1.264 210 F CB -0.091 38.353 39.000 -0.927 0.000 1.001 210 F HN 0.033 nan 8.300 nan 0.000 0.479 211 T N -0.202 114.192 114.554 -0.267 0.000 2.674 211 T HA -0.245 4.110 4.350 0.009 0.000 0.265 211 T C 1.545 176.074 174.700 -0.286 0.000 1.039 211 T CA 1.976 63.865 62.100 -0.352 0.000 1.150 211 T CB -0.841 67.857 68.868 -0.284 0.000 0.864 211 T HN 0.351 nan 8.240 nan 0.000 0.427 212 Y N 1.087 121.333 120.300 -0.089 0.000 2.081 212 Y HA -0.131 4.424 4.550 0.007 0.000 0.280 212 Y C 2.404 178.250 175.900 -0.089 0.000 1.163 212 Y CA 1.062 59.115 58.100 -0.077 0.000 1.135 212 Y CB -0.449 38.054 38.460 0.073 0.000 0.970 212 Y HN 0.143 nan 8.280 nan 0.000 0.498 213 I N -1.261 119.410 120.570 0.167 0.000 2.194 213 I HA -0.396 3.779 4.170 0.009 0.000 0.246 213 I C 2.300 178.378 176.117 -0.064 0.000 1.093 213 I CA 1.140 62.474 61.300 0.057 0.000 1.355 213 I CB -0.589 37.444 38.000 0.055 0.000 1.046 213 I HN 0.365 nan 8.210 nan 0.000 0.413 214 C N 0.530 119.681 119.300 -0.248 0.000 2.435 214 C HA -0.090 4.375 4.460 0.009 0.000 0.279 214 C C 2.590 177.488 174.990 -0.154 0.000 1.321 214 C CA 0.627 59.480 59.018 -0.276 0.000 1.752 214 C CB -1.355 26.068 27.740 -0.528 0.000 1.959 214 C HN 0.541 nan 8.230 nan 0.000 0.500 215 N N -0.075 118.521 118.700 -0.173 0.000 2.270 215 N HA -0.112 4.633 4.740 0.009 0.000 0.181 215 N C 1.442 176.865 175.510 -0.145 0.000 1.016 215 N CA 1.166 54.106 53.050 -0.182 0.000 0.870 215 N CB -0.622 37.692 38.487 -0.288 0.000 0.979 215 N HN 0.739 nan 8.380 nan 0.000 0.431 216 H N 0.884 119.823 119.070 -0.218 0.000 2.293 216 H HA 0.080 4.642 4.556 0.011 0.000 0.300 216 H C 2.153 177.516 175.328 0.059 0.000 1.082 216 H CA 1.574 57.565 56.048 -0.096 0.000 1.308 216 H CB -0.048 29.697 29.762 -0.029 0.000 1.375 216 H HN 0.058 nan 8.280 nan 0.000 0.495 217 I N 0.609 121.333 120.570 0.256 0.000 2.264 217 I HA -0.276 3.899 4.170 0.009 0.000 0.248 217 I C 2.390 178.582 176.117 0.125 0.000 1.111 217 I CA 1.365 62.775 61.300 0.184 0.000 1.382 217 I CB -0.279 37.762 38.000 0.069 0.000 1.060 217 I HN 0.341 nan 8.210 nan 0.000 0.418 218 K N 0.033 120.477 120.400 0.073 0.000 2.002 218 K HA -0.232 4.094 4.320 0.009 0.000 0.209 218 K C 2.267 178.918 176.600 0.084 0.000 1.048 218 K CA 1.792 58.110 56.287 0.052 0.000 0.930 218 K CB -0.427 32.081 32.500 0.013 0.000 0.714 218 K HN 0.228 nan 8.250 nan 0.000 0.438 219 Y N 1.362 121.669 120.300 0.011 0.000 2.163 219 Y HA -0.218 4.334 4.550 0.003 0.000 0.288 219 Y C 2.171 178.121 175.900 0.084 0.000 1.136 219 Y CA 1.445 59.584 58.100 0.065 0.000 1.147 219 Y CB -0.347 38.203 38.460 0.151 0.000 0.987 219 Y HN 0.065 nan 8.280 nan 0.000 0.509 220 A N -0.730 122.247 122.820 0.261 0.000 1.902 220 A HA -0.170 4.155 4.320 0.009 0.000 0.217 220 A C 2.216 179.868 177.584 0.115 0.000 1.181 220 A CA 2.293 54.449 52.037 0.198 0.000 0.623 220 A CB -1.300 17.845 19.000 0.241 0.000 0.818 220 A HN 0.508 nan 8.150 nan 0.000 0.443 221 T N -0.375 114.241 114.554 0.104 0.000 2.737 221 T HA -0.096 4.259 4.350 0.009 0.000 0.265 221 T C 1.063 175.775 174.700 0.021 0.000 1.038 221 T CA 1.241 63.392 62.100 0.085 0.000 1.144 221 T CB -0.427 68.490 68.868 0.081 0.000 0.866 221 T HN 0.641 nan 8.240 nan 0.000 0.434 222 N N 1.106 119.787 118.700 -0.031 0.000 2.714 222 N HA -0.243 4.502 4.740 0.009 0.000 0.252 222 N C -0.320 175.163 175.510 -0.046 0.000 1.014 222 N CA 0.466 53.467 53.050 -0.081 0.000 0.735 222 N CB -1.325 37.067 38.487 -0.158 0.000 0.924 222 N HN 0.467 nan 8.380 nan 0.000 0.540 223 R N -1.924 118.563 120.500 -0.021 0.000 3.516 223 R HA -0.225 4.120 4.340 0.009 0.000 0.271 223 R C 1.317 177.607 176.300 -0.017 0.000 1.098 223 R CA 1.187 57.277 56.100 -0.016 0.000 0.732 223 R CB -1.913 28.372 30.300 -0.025 0.000 1.152 223 R HN 0.978 nan 8.270 nan 0.000 0.455 224 G N -0.456 108.344 108.800 -0.000 0.000 2.259 224 G HA2 -0.319 3.646 3.960 0.009 0.000 0.217 224 G HA3 -0.319 3.646 3.960 0.009 0.000 0.217 224 G C 0.002 174.896 174.900 -0.010 0.000 1.001 224 G CA 0.053 45.155 45.100 0.004 0.000 0.627 224 G HN 0.375 nan 8.290 nan 0.000 0.501 225 N N 1.438 120.115 118.700 -0.038 0.000 3.322 225 N HA 0.454 5.200 4.740 0.009 0.000 0.290 225 N C 0.434 175.908 175.510 -0.061 0.000 1.297 225 N CA -0.450 52.556 53.050 -0.073 0.000 1.167 225 N CB -0.422 38.017 38.487 -0.081 0.000 1.434 225 N HN 0.265 nan 8.380 nan 0.000 0.526 226 L N 1.630 122.845 121.223 -0.013 0.000 2.573 226 L HA -0.003 4.343 4.340 0.009 0.000 0.290 226 L C 0.904 177.867 176.870 0.155 0.000 1.247 226 L CA 1.077 55.976 54.840 0.098 0.000 0.876 226 L CB 0.166 42.371 42.059 0.243 0.000 1.123 226 L HN 0.266 nan 8.230 nan 0.000 0.505 227 R N 1.654 122.268 120.500 0.189 0.000 2.561 227 R HA 0.444 4.789 4.340 0.009 0.000 0.297 227 R C -0.572 175.904 176.300 0.292 0.000 0.969 227 R CA -0.720 55.525 56.100 0.242 0.000 0.879 227 R CB 1.658 32.003 30.300 0.074 0.000 1.178 227 R HN 0.568 nan 8.270 nan 0.000 0.445 228 S N 1.432 117.314 115.700 0.303 0.000 2.560 228 S HA 0.430 4.906 4.470 0.009 0.000 0.284 228 S C -0.167 174.481 174.600 0.081 0.000 1.327 228 S CA -0.104 58.165 58.200 0.114 0.000 1.055 228 S CB 1.107 64.331 63.200 0.040 0.000 0.868 228 S HN 0.715 nan 8.310 nan 0.000 0.506 229 A N 2.453 125.281 122.820 0.013 0.000 2.601 229 A HA 0.819 5.145 4.320 0.009 0.000 0.291 229 A C -1.347 176.292 177.584 0.091 0.000 1.075 229 A CA -0.664 51.336 52.037 -0.062 0.000 0.671 229 A CB 1.169 20.070 19.000 -0.165 0.000 1.277 229 A HN 0.800 nan 8.150 nan 0.000 0.417 230 I N 0.337 120.965 120.570 0.097 0.000 2.752 230 I HA 0.618 4.793 4.170 0.009 0.000 0.295 230 I C -1.317 174.934 176.117 0.223 0.000 1.219 230 I CA -0.137 61.331 61.300 0.280 0.000 1.030 230 I CB 2.405 40.514 38.000 0.182 0.000 1.259 230 I HN 0.618 nan 8.210 nan 0.000 0.423 231 T N 6.312 121.001 114.554 0.225 0.000 2.786 231 T HA 0.438 4.793 4.350 0.009 0.000 0.283 231 T C -0.680 173.813 174.700 -0.344 0.000 0.992 231 T CA -0.364 61.710 62.100 -0.043 0.000 0.954 231 T CB 1.553 70.372 68.868 -0.082 0.000 0.934 231 T HN 0.268 nan 8.240 nan 0.000 0.440 232 V N 5.144 124.790 119.914 -0.448 0.000 2.333 232 V HA 0.442 4.568 4.120 0.009 0.000 0.274 232 V C -0.333 175.437 176.094 -0.539 0.000 1.028 232 V CA -0.754 61.273 62.300 -0.454 0.000 0.851 232 V CB -0.231 31.275 31.823 -0.528 0.000 1.000 232 V HN 0.707 nan 8.190 nan 0.000 0.456 233 F N 5.295 125.142 119.950 -0.171 0.000 2.368 233 F HA 0.479 5.013 4.527 0.011 0.000 0.315 233 F C -1.776 173.895 175.800 -0.216 0.000 1.145 233 F CA -2.463 55.354 58.000 -0.304 0.000 1.095 233 F CB 0.173 38.984 39.000 -0.314 0.000 1.286 233 F HN 0.292 nan 8.300 nan 0.000 0.530 234 P HA -0.041 nan 4.420 nan 0.000 0.261 234 P C -0.835 176.462 177.300 -0.004 0.000 1.173 234 P CA 0.062 63.043 63.100 -0.198 0.000 0.760 234 P CB 0.178 31.609 31.700 -0.448 0.000 0.783 235 Q N 3.761 123.506 119.800 -0.091 0.000 2.651 235 Q HA 0.119 4.464 4.340 0.009 0.000 0.224 235 Q C -0.318 175.578 176.000 -0.174 0.000 1.094 235 Q CA -0.223 55.292 55.803 -0.480 0.000 1.018 235 Q CB 0.444 28.616 28.738 -0.944 0.000 1.292 235 Q HN 0.331 nan 8.270 nan 0.000 0.588 236 R N -0.077 120.289 120.500 -0.222 0.000 2.347 236 R HA 0.451 4.797 4.340 0.009 0.000 0.304 236 R C -0.748 175.496 176.300 -0.093 0.000 1.072 236 R CA 0.050 56.098 56.100 -0.087 0.000 0.980 236 R CB 0.991 31.236 30.300 -0.092 0.000 0.986 236 R HN 0.642 nan 8.270 nan 0.000 0.448 237 A N 5.033 127.842 122.820 -0.019 0.000 2.337 237 A HA 0.517 4.842 4.320 0.009 0.000 0.329 237 A C -2.312 175.267 177.584 -0.008 0.000 1.146 237 A CA -2.084 49.945 52.037 -0.013 0.000 0.800 237 A CB 0.804 19.828 19.000 0.041 0.000 1.220 237 A HN 0.438 nan 8.150 nan 0.000 0.472 238 P HA 0.214 nan 4.420 nan 0.000 0.258 238 P C 0.718 178.021 177.300 0.006 0.000 1.172 238 P CA 1.972 65.069 63.100 -0.004 0.000 0.762 238 P CB 0.270 31.970 31.700 0.001 0.000 0.764 239 G N 3.122 111.924 108.800 0.003 0.000 2.325 239 G HA2 -0.206 3.759 3.960 0.009 0.000 0.274 239 G HA3 -0.206 3.759 3.960 0.009 0.000 0.274 239 G C -0.143 174.763 174.900 0.010 0.000 0.921 239 G CA -0.148 44.956 45.100 0.007 0.000 1.340 239 G HN 0.757 nan 8.290 nan 0.000 0.447 240 R N 0.761 121.265 120.500 0.008 0.000 4.200 240 R HA 0.378 4.723 4.340 0.009 0.000 0.288 240 R C 0.627 176.926 176.300 -0.001 0.000 1.035 240 R CA 0.078 56.182 56.100 0.007 0.000 1.305 240 R CB -0.061 30.253 30.300 0.024 0.000 1.269 240 R HN 1.507 nan 8.270 nan 0.000 0.508 241 G N 3.085 111.874 108.800 -0.019 0.000 2.497 241 G HA2 -0.133 3.832 3.960 0.009 0.000 0.228 241 G HA3 -0.133 3.832 3.960 0.009 0.000 0.228 241 G C -0.177 174.702 174.900 -0.035 0.000 1.190 241 G CA 0.028 45.111 45.100 -0.029 0.000 0.857 241 G HN 0.599 nan 8.290 nan 0.000 0.526 242 D N -0.031 120.368 120.400 -0.001 0.000 2.313 242 D HA 0.318 4.963 4.640 0.009 0.000 0.247 242 D C 0.033 176.357 176.300 0.039 0.000 1.094 242 D CA 0.097 54.132 54.000 0.058 0.000 0.925 242 D CB 0.722 41.561 40.800 0.065 0.000 1.188 242 D HN 0.149 nan 8.370 nan 0.000 0.430 243 F N 1.548 121.524 119.950 0.044 0.000 2.420 243 F HA 0.319 4.852 4.527 0.010 0.000 0.352 243 F C 0.967 176.794 175.800 0.046 0.000 1.108 243 F CA -0.088 57.928 58.000 0.026 0.000 1.162 243 F CB 0.678 39.690 39.000 0.021 0.000 1.118 243 F HN -0.192 nan 8.300 nan 0.000 0.510 244 R N 3.967 124.589 120.500 0.204 0.000 2.725 244 R HA 0.549 4.894 4.340 0.009 0.000 0.277 244 R C -1.210 175.243 176.300 0.255 0.000 0.987 244 R CA -0.873 55.358 56.100 0.220 0.000 0.901 244 R CB 2.338 32.778 30.300 0.233 0.000 1.207 244 R HN 0.624 nan 8.270 nan 0.000 0.463 245 I N 2.027 122.732 120.570 0.225 0.000 2.355 245 I HA 0.166 4.341 4.170 0.009 0.000 0.288 245 I C 0.423 176.737 176.117 0.329 0.000 0.999 245 I CA -0.473 60.959 61.300 0.221 0.000 1.163 245 I CB 1.320 39.388 38.000 0.113 0.000 1.316 245 I HN 0.525 nan 8.210 nan 0.000 0.454 246 W N 3.461 124.796 121.300 0.058 0.000 2.402 246 W HA -0.083 4.582 4.660 0.008 0.000 0.286 246 W C 0.938 177.548 176.519 0.153 0.000 1.221 246 W CA 0.105 57.541 57.345 0.151 0.000 1.257 246 W CB -0.836 28.727 29.460 0.171 0.000 1.120 246 W HN 0.409 nan 8.180 nan 0.000 0.551 247 N N 0.088 118.952 118.700 0.272 0.000 2.492 247 N HA 0.020 4.765 4.740 0.009 0.000 0.260 247 N C 1.277 176.844 175.510 0.094 0.000 1.215 247 N CA 0.841 53.975 53.050 0.140 0.000 0.923 247 N CB 0.750 39.259 38.487 0.038 0.000 1.092 247 N HN -0.096 nan 8.380 nan 0.000 0.448 248 S N 0.726 116.474 115.700 0.081 0.000 2.461 248 S HA -0.024 4.452 4.470 0.009 0.000 0.228 248 S C 0.328 174.923 174.600 -0.009 0.000 1.005 248 S CA 0.600 58.831 58.200 0.052 0.000 0.942 248 S CB 0.074 63.327 63.200 0.089 0.000 0.776 248 S HN 0.650 nan 8.310 nan 0.000 0.514 249 Q N -0.664 119.118 119.800 -0.030 0.000 2.379 249 Q HA 0.488 4.833 4.340 0.009 0.000 0.278 249 Q C 0.062 175.981 176.000 -0.134 0.000 1.068 249 Q CA -0.517 55.230 55.803 -0.094 0.000 0.816 249 Q CB 2.019 30.729 28.738 -0.047 0.000 1.387 249 Q HN 0.125 nan 8.270 nan 0.000 0.413 250 L N 0.267 121.388 121.223 -0.170 0.000 2.201 250 L HA 0.023 4.368 4.340 0.009 0.000 0.212 250 L C 0.309 177.041 176.870 -0.230 0.000 1.105 250 L CA 0.810 55.552 54.840 -0.163 0.000 0.775 250 L CB 0.164 42.126 42.059 -0.162 0.000 0.913 250 L HN 0.253 nan 8.230 nan 0.000 0.440 251 V N 0.744 120.436 119.914 -0.371 0.000 2.447 251 V HA 0.454 4.580 4.120 0.009 0.000 0.292 251 V C -0.306 175.218 176.094 -0.951 0.000 1.021 251 V CA -0.609 61.288 62.300 -0.671 0.000 0.850 251 V CB 1.668 32.972 31.823 -0.865 0.000 1.005 251 V HN 0.202 nan 8.190 nan 0.000 0.426 252 R N 2.760 122.849 120.500 -0.684 0.000 2.680 252 R HA 0.543 4.888 4.340 0.009 0.000 0.269 252 R C -1.836 174.224 176.300 -0.400 0.000 1.026 252 R CA -0.931 54.874 56.100 -0.492 0.000 0.889 252 R CB 2.580 32.789 30.300 -0.152 0.000 1.241 252 R HN 0.528 nan 8.270 nan 0.000 0.463 253 Y N 0.491 120.781 120.300 -0.017 0.000 2.310 253 Y HA 0.414 4.969 4.550 0.009 0.000 0.326 253 Y C 0.900 176.771 175.900 -0.048 0.000 1.151 253 Y CA -0.492 57.614 58.100 0.010 0.000 1.195 253 Y CB 1.078 39.622 38.460 0.139 0.000 1.210 253 Y HN 0.676 nan 8.280 nan 0.000 0.483 254 A N 1.496 124.339 122.820 0.038 0.000 2.425 254 A HA 0.532 4.857 4.320 0.009 0.000 0.242 254 A C 0.620 177.979 177.584 -0.373 0.000 1.077 254 A CA 0.207 52.123 52.037 -0.200 0.000 0.781 254 A CB -0.263 18.575 19.000 -0.272 0.000 1.020 254 A HN 0.950 nan 8.150 nan 0.000 0.494 255 G N 0.595 109.220 108.800 -0.292 0.000 2.671 255 G HA2 0.525 4.490 3.960 0.009 0.000 0.318 255 G HA3 0.525 4.490 3.960 0.009 0.000 0.318 255 G C -0.834 174.001 174.900 -0.109 0.000 1.250 255 G CA -0.278 44.697 45.100 -0.209 0.000 1.028 255 G HN 0.591 nan 8.290 nan 0.000 0.501 256 Y N 2.091 122.412 120.300 0.036 0.000 2.425 256 Y HA 0.341 4.896 4.550 0.009 0.000 0.347 256 Y C 1.026 176.930 175.900 0.006 0.000 0.976 256 Y CA -1.222 56.895 58.100 0.030 0.000 1.190 256 Y CB 1.157 39.629 38.460 0.020 0.000 1.136 256 Y HN 0.385 nan 8.280 nan 0.000 0.517 257 R N 3.380 123.983 120.500 0.171 0.000 2.484 257 R HA 0.043 4.388 4.340 0.009 0.000 0.293 257 R C -0.334 176.007 176.300 0.068 0.000 1.023 257 R CA 0.103 56.256 56.100 0.089 0.000 1.037 257 R CB 0.204 30.545 30.300 0.067 0.000 0.951 257 R HN 0.557 nan 8.270 nan 0.000 0.418 258 Q N 2.328 122.155 119.800 0.045 0.000 2.169 258 Q HA 0.146 4.491 4.340 0.009 0.000 0.234 258 Q C 0.425 176.433 176.000 0.013 0.000 0.980 258 Q CA -0.648 55.170 55.803 0.026 0.000 0.941 258 Q CB 0.865 29.616 28.738 0.021 0.000 1.199 258 Q HN 0.567 nan 8.270 nan 0.000 0.496 259 Q N 0.814 120.616 119.800 0.004 0.000 2.096 259 Q HA -0.109 4.236 4.340 0.009 0.000 0.197 259 Q C 1.210 177.211 176.000 0.002 0.000 0.964 259 Q CA 1.636 57.439 55.803 0.000 0.000 0.838 259 Q CB -0.085 28.649 28.738 -0.006 0.000 0.906 259 Q HN 0.741 nan 8.270 nan 0.000 0.444 260 D N -1.499 118.902 120.400 0.002 0.000 2.350 260 D HA -0.036 4.609 4.640 0.009 0.000 0.216 260 D C 1.189 177.492 176.300 0.005 0.000 0.968 260 D CA 1.277 55.279 54.000 0.002 0.000 0.894 260 D CB -0.089 40.712 40.800 0.001 0.000 0.909 260 D HN 0.325 nan 8.370 nan 0.000 0.520 261 G N -0.486 108.319 108.800 0.008 0.000 2.278 261 G HA2 -0.278 3.687 3.960 0.009 0.000 0.210 261 G HA3 -0.278 3.687 3.960 0.009 0.000 0.210 261 G C 0.648 175.556 174.900 0.012 0.000 1.000 261 G CA 0.229 45.336 45.100 0.011 0.000 0.635 261 G HN 0.809 nan 8.290 nan 0.000 0.495 262 S N -0.543 115.163 115.700 0.010 0.000 2.634 262 S HA 0.640 5.115 4.470 0.009 0.000 0.254 262 S C 0.185 174.790 174.600 0.008 0.000 1.299 262 S CA 0.351 58.554 58.200 0.006 0.000 0.974 262 S CB 1.733 64.934 63.200 0.002 0.000 1.001 262 S HN 1.216 nan 8.310 nan 0.000 0.584 263 V N 0.753 120.663 119.914 -0.007 0.000 2.638 263 V HA 0.532 4.657 4.120 0.009 0.000 0.306 263 V C -0.084 175.986 176.094 -0.040 0.000 1.052 263 V CA -0.799 61.494 62.300 -0.012 0.000 0.885 263 V CB 1.627 33.431 31.823 -0.033 0.000 0.999 263 V HN 0.906 nan 8.190 nan 0.000 0.424 264 R N 2.551 123.054 120.500 0.004 0.000 2.255 264 R HA 0.672 5.017 4.340 0.009 0.000 0.326 264 R C 0.691 176.923 176.300 -0.114 0.000 0.986 264 R CA 0.901 56.996 56.100 -0.009 0.000 0.847 264 R CB 0.992 31.363 30.300 0.118 0.000 1.111 264 R HN 1.155 nan 8.270 nan 0.000 0.452 265 G N 3.208 111.855 108.800 -0.254 0.000 2.785 265 G HA2 -0.243 3.722 3.960 0.009 0.000 0.218 265 G HA3 -0.243 3.722 3.960 0.009 0.000 0.218 265 G C -1.273 173.235 174.900 -0.654 0.000 1.251 265 G CA 0.038 44.922 45.100 -0.360 0.000 1.129 265 G HN 0.607 nan 8.290 nan 0.000 0.573 266 D N 1.797 121.979 120.400 -0.363 0.000 2.461 266 D HA 0.635 5.281 4.640 0.009 0.000 0.240 266 D C -1.283 174.937 176.300 -0.134 0.000 1.094 266 D CA -2.014 51.805 54.000 -0.302 0.000 0.868 266 D CB 1.768 42.693 40.800 0.209 0.000 1.062 266 D HN -0.013 nan 8.370 nan 0.000 0.530 267 P HA -0.143 nan 4.420 nan 0.000 0.218 267 P C 0.996 178.315 177.300 0.032 0.000 1.146 267 P CA 1.192 64.266 63.100 -0.043 0.000 0.813 267 P CB 0.291 31.973 31.700 -0.030 0.000 0.778 268 A N -0.575 122.288 122.820 0.071 0.000 2.070 268 A HA -0.137 4.188 4.320 0.009 0.000 0.220 268 A C 1.528 179.175 177.584 0.106 0.000 1.159 268 A CA 1.396 53.506 52.037 0.121 0.000 0.656 268 A CB -0.834 18.268 19.000 0.171 0.000 0.800 268 A HN 0.182 nan 8.150 nan 0.000 0.453 269 N N -0.232 118.515 118.700 0.078 0.000 2.321 269 N HA 0.172 4.917 4.740 0.009 0.000 0.242 269 N C 0.965 176.494 175.510 0.032 0.000 1.141 269 N CA 0.113 53.200 53.050 0.062 0.000 0.864 269 N CB 0.755 39.275 38.487 0.056 0.000 1.100 269 N HN 0.195 nan 8.380 nan 0.000 0.510 270 V N 0.903 120.838 119.914 0.034 0.000 2.295 270 V HA -0.246 3.880 4.120 0.009 0.000 0.246 270 V C 2.476 178.589 176.094 0.031 0.000 1.049 270 V CA 1.851 64.171 62.300 0.035 0.000 1.024 270 V CB -0.276 31.569 31.823 0.037 0.000 0.648 270 V HN 0.392 nan 8.190 nan 0.000 0.447 271 E N -0.079 120.134 120.200 0.022 0.000 2.031 271 E HA -0.275 4.080 4.350 0.009 0.000 0.193 271 E C 2.152 178.693 176.600 -0.097 0.000 0.994 271 E CA 1.902 58.283 56.400 -0.032 0.000 0.800 271 E CB -0.253 29.446 29.700 -0.002 0.000 0.752 271 E HN 0.455 nan 8.360 nan 0.000 0.447 272 I N 0.942 121.479 120.570 -0.055 0.000 2.264 272 I HA -0.235 3.941 4.170 0.009 0.000 0.248 272 I C 2.023 178.113 176.117 -0.044 0.000 1.111 272 I CA 1.703 62.962 61.300 -0.069 0.000 1.382 272 I CB -0.433 37.583 38.000 0.027 0.000 1.060 272 I HN 0.144 nan 8.210 nan 0.000 0.418 273 T N 0.318 114.875 114.554 0.005 0.000 2.777 273 T HA -0.155 4.200 4.350 0.009 0.000 0.266 273 T C 1.649 176.442 174.700 0.155 0.000 1.040 273 T CA 1.717 63.870 62.100 0.087 0.000 1.141 273 T CB -0.315 68.635 68.868 0.136 0.000 0.868 273 T HN 0.491 nan 8.240 nan 0.000 0.444 274 E N 0.627 120.881 120.200 0.091 0.000 2.347 274 E HA 0.072 4.427 4.350 0.009 0.000 0.196 274 E C 1.929 178.566 176.600 0.061 0.000 1.008 274 E CA 0.391 56.842 56.400 0.086 0.000 0.852 274 E CB -0.136 29.590 29.700 0.043 0.000 0.783 274 E HN 0.431 nan 8.360 nan 0.000 0.505 275 L N -0.194 121.031 121.223 0.004 0.000 2.249 275 L HA -0.071 4.274 4.340 0.009 0.000 0.207 275 L C 2.251 179.178 176.870 0.095 0.000 1.090 275 L CA 0.264 55.115 54.840 0.019 0.000 0.802 275 L CB -0.061 41.904 42.059 -0.158 0.000 0.947 275 L HN 0.288 nan 8.230 nan 0.000 0.453 276 C N 0.051 119.384 119.300 0.055 0.000 2.446 276 C HA -0.113 4.352 4.460 0.009 0.000 0.277 276 C C 2.695 177.851 174.990 0.277 0.000 1.275 276 C CA 0.385 59.448 59.018 0.075 0.000 1.727 276 C CB -0.469 27.229 27.740 -0.069 0.000 2.010 276 C HN 0.401 nan 8.230 nan 0.000 0.486 277 I N 0.668 121.434 120.570 0.327 0.000 2.179 277 I HA -0.289 3.886 4.170 0.009 0.000 0.242 277 I C 2.633 178.837 176.117 0.143 0.000 1.088 277 I CA 1.685 63.141 61.300 0.260 0.000 1.357 277 I CB -0.672 37.444 38.000 0.194 0.000 1.051 277 I HN 0.469 nan 8.210 nan 0.000 0.409 278 Q N -0.322 119.555 119.800 0.128 0.000 2.226 278 Q HA -0.208 4.137 4.340 0.009 0.000 0.204 278 Q C 1.242 177.226 176.000 -0.028 0.000 0.975 278 Q CA 1.213 57.043 55.803 0.045 0.000 0.866 278 Q CB -0.145 28.619 28.738 0.044 0.000 0.915 278 Q HN 0.599 nan 8.270 nan 0.000 0.440 279 H N -1.459 117.598 119.070 -0.022 0.000 2.538 279 H HA 0.223 4.785 4.556 0.009 0.000 0.286 279 H C 0.814 176.112 175.328 -0.049 0.000 1.035 279 H CA 0.631 56.639 56.048 -0.068 0.000 1.169 279 H CB 0.560 30.238 29.762 -0.139 0.000 1.417 279 H HN 0.401 nan 8.280 nan 0.000 0.567 280 G N -0.686 108.154 108.800 0.068 0.000 2.184 280 G HA2 -0.251 3.715 3.960 0.009 0.000 0.206 280 G HA3 -0.251 3.715 3.960 0.009 0.000 0.206 280 G C -0.026 174.941 174.900 0.112 0.000 0.995 280 G CA -0.244 44.882 45.100 0.043 0.000 0.651 280 G HN 0.342 nan 8.290 nan 0.000 0.511 281 W N 2.667 123.947 121.300 -0.034 0.000 2.216 281 W HA 0.612 5.278 4.660 0.009 0.000 0.326 281 W C 0.222 176.730 176.519 -0.019 0.000 1.319 281 W CA 0.514 57.842 57.345 -0.028 0.000 1.213 281 W CB 0.766 30.222 29.460 -0.007 0.000 1.171 281 W HN 0.024 nan 8.180 nan 0.000 0.557 282 T N 9.639 123.875 114.554 -0.531 0.000 2.811 282 T HA 0.189 4.544 4.350 0.009 0.000 0.309 282 T C -2.003 171.971 174.700 -1.210 0.000 1.005 282 T CA -0.949 60.795 62.100 -0.593 0.000 0.955 282 T CB 0.358 69.021 68.868 -0.342 0.000 0.970 282 T HN 0.246 nan 8.240 nan 0.000 0.496 283 P HA 0.249 nan 4.420 nan 0.000 0.271 283 P C 0.356 177.194 177.300 -0.769 0.000 1.233 283 P CA -0.146 62.182 63.100 -1.286 0.000 0.789 283 P CB 0.850 32.181 31.700 -0.615 0.000 0.951 284 G N 0.207 108.698 108.800 -0.516 0.000 2.990 284 G HA2 0.401 4.367 3.960 0.009 0.000 0.208 284 G HA3 0.401 4.367 3.960 0.009 0.000 0.208 284 G C -0.104 174.497 174.900 -0.497 0.000 1.334 284 G CA -0.708 44.243 45.100 -0.247 0.000 1.024 284 G HN 0.770 nan 8.290 nan 0.000 0.574 285 N N -1.436 117.144 118.700 -0.201 0.000 2.381 285 N HA 0.260 5.005 4.740 0.009 0.000 0.257 285 N C 0.424 176.011 175.510 0.129 0.000 1.409 285 N CA -0.419 52.484 53.050 -0.245 0.000 0.836 285 N CB 0.864 39.220 38.487 -0.218 0.000 1.384 285 N HN 0.671 nan 8.380 nan 0.000 0.490 286 G N 0.463 109.462 108.800 0.331 0.000 2.557 286 G HA2 0.222 4.187 3.960 0.009 0.000 0.302 286 G HA3 0.222 4.187 3.960 0.009 0.000 0.302 286 G C 0.185 175.180 174.900 0.158 0.000 1.311 286 G CA -0.691 44.539 45.100 0.217 0.000 1.030 286 G HN 0.193 nan 8.290 nan 0.000 0.509 287 R N -1.439 119.020 120.500 -0.068 0.000 2.290 287 R HA 0.228 4.573 4.340 0.009 0.000 0.197 287 R C -0.117 175.725 176.300 -0.763 0.000 0.913 287 R CA 0.230 56.090 56.100 -0.398 0.000 1.040 287 R CB 0.064 30.035 30.300 -0.548 0.000 0.992 287 R HN 0.398 nan 8.270 nan 0.000 0.500 288 F N 0.902 120.797 119.950 -0.091 0.000 2.623 288 F HA 0.305 4.837 4.527 0.009 0.000 0.361 288 F C -0.931 174.865 175.800 -0.006 0.000 1.469 288 F CA -1.102 56.620 58.000 -0.463 0.000 1.126 288 F CB 0.810 39.382 39.000 -0.713 0.000 1.221 288 F HN -0.246 nan 8.300 nan 0.000 0.536 289 D N 1.556 122.132 120.400 0.294 0.000 2.277 289 D HA 0.230 4.875 4.640 0.009 0.000 0.249 289 D C 0.118 176.664 176.300 0.409 0.000 1.134 289 D CA -0.006 54.225 54.000 0.386 0.000 0.863 289 D CB 2.573 43.652 40.800 0.465 0.000 1.143 289 D HN -0.062 nan 8.370 nan 0.000 0.458 290 V N 3.586 123.690 119.914 0.317 0.000 2.508 290 V HA 0.053 4.179 4.120 0.009 0.000 0.281 290 V C 0.914 176.986 176.094 -0.036 0.000 1.041 290 V CA -0.438 61.917 62.300 0.092 0.000 1.016 290 V CB 0.372 32.212 31.823 0.028 0.000 0.984 290 V HN 0.333 nan 8.190 nan 0.000 0.478 291 L N 8.441 129.543 121.223 -0.202 0.000 2.439 291 L HA 0.310 4.655 4.340 0.009 0.000 0.269 291 L C -1.638 174.966 176.870 -0.442 0.000 1.179 291 L CA -1.259 53.308 54.840 -0.454 0.000 0.828 291 L CB 0.779 42.616 42.059 -0.370 0.000 1.106 291 L HN 0.483 nan 8.230 nan 0.000 0.467 292 P HA 0.228 nan 4.420 nan 0.000 0.278 292 P C -1.090 176.039 177.300 -0.284 0.000 1.266 292 P CA -0.529 62.317 63.100 -0.423 0.000 0.807 292 P CB 0.939 32.293 31.700 -0.577 0.000 1.094 293 L N 0.670 121.815 121.223 -0.130 0.000 2.334 293 L HA 0.412 4.758 4.340 0.009 0.000 0.277 293 L C 0.485 177.325 176.870 -0.050 0.000 1.075 293 L CA -0.729 54.083 54.840 -0.047 0.000 0.804 293 L CB 0.558 42.656 42.059 0.065 0.000 1.174 293 L HN 0.219 nan 8.230 nan 0.000 0.438 294 L N 4.900 126.084 121.223 -0.065 0.000 2.313 294 L HA 0.458 4.803 4.340 0.009 0.000 0.273 294 L C -0.563 176.225 176.870 -0.136 0.000 1.028 294 L CA -0.210 54.516 54.840 -0.190 0.000 0.871 294 L CB 0.932 42.809 42.059 -0.303 0.000 1.242 294 L HN 0.463 nan 8.230 nan 0.000 0.434 295 L N 3.486 124.678 121.223 -0.052 0.000 2.334 295 L HA 0.529 4.875 4.340 0.009 0.000 0.275 295 L C -0.243 176.578 176.870 -0.081 0.000 1.036 295 L CA -0.451 54.381 54.840 -0.013 0.000 0.807 295 L CB 1.720 43.794 42.059 0.026 0.000 1.231 295 L HN 0.531 nan 8.230 nan 0.000 0.438 296 Q N 2.091 121.876 119.800 -0.024 0.000 2.290 296 Q HA 0.632 4.978 4.340 0.009 0.000 0.269 296 Q C -1.211 174.744 176.000 -0.076 0.000 1.016 296 Q CA -0.540 55.247 55.803 -0.026 0.000 0.754 296 Q CB 2.107 30.929 28.738 0.140 0.000 1.247 296 Q HN 0.794 nan 8.270 nan 0.000 0.451 297 A N 4.747 127.475 122.820 -0.153 0.000 2.286 297 A HA 0.645 4.970 4.320 0.009 0.000 0.286 297 A C -2.402 174.940 177.584 -0.404 0.000 1.097 297 A CA -1.571 50.230 52.037 -0.393 0.000 0.821 297 A CB 0.070 18.927 19.000 -0.239 0.000 1.076 297 A HN 0.622 nan 8.150 nan 0.000 0.490 298 P HA 0.020 nan 4.420 nan 0.000 0.258 298 P C -0.542 176.659 177.300 -0.166 0.000 1.172 298 P CA 0.910 63.793 63.100 -0.361 0.000 0.762 298 P CB 0.088 31.560 31.700 -0.380 0.000 0.764 299 D N 0.118 120.467 120.400 -0.085 0.000 3.070 299 D HA -0.199 4.447 4.640 0.009 0.000 0.220 299 D C -0.128 176.158 176.300 -0.024 0.000 1.176 299 D CA 1.311 55.291 54.000 -0.033 0.000 0.924 299 D CB -0.801 39.982 40.800 -0.028 0.000 1.124 299 D HN 0.556 nan 8.370 nan 0.000 0.411 300 E N -0.324 119.852 120.200 -0.040 0.000 2.221 300 E HA 0.652 5.007 4.350 0.009 0.000 0.268 300 E C 0.096 176.691 176.600 -0.009 0.000 0.933 300 E CA -0.699 55.684 56.400 -0.028 0.000 0.809 300 E CB 1.489 31.160 29.700 -0.047 0.000 1.190 300 E HN 0.174 nan 8.360 nan 0.000 0.406 301 A N 2.781 125.597 122.820 -0.007 0.000 2.366 301 A HA 0.307 4.632 4.320 0.009 0.000 0.249 301 A C -2.084 175.448 177.584 -0.085 0.000 1.084 301 A CA -1.042 50.992 52.037 -0.005 0.000 0.794 301 A CB -0.322 18.679 19.000 0.002 0.000 1.034 301 A HN 0.377 nan 8.150 nan 0.000 0.491 302 P HA 0.199 nan 4.420 nan 0.000 0.271 302 P C -0.715 176.420 177.300 -0.276 0.000 1.216 302 P CA 0.148 63.000 63.100 -0.414 0.000 0.776 302 P CB 0.771 31.788 31.700 -1.138 0.000 0.881 303 E N 1.003 121.086 120.200 -0.196 0.000 2.202 303 E HA 0.441 4.796 4.350 0.009 0.000 0.272 303 E C -0.686 175.719 176.600 -0.326 0.000 0.951 303 E CA -1.040 55.224 56.400 -0.227 0.000 0.813 303 E CB 1.327 30.942 29.700 -0.143 0.000 1.151 303 E HN 0.281 nan 8.360 nan 0.000 0.398 304 L N 2.488 123.410 121.223 -0.503 0.000 2.343 304 L HA 0.496 4.841 4.340 0.009 0.000 0.275 304 L C -1.463 174.897 176.870 -0.849 0.000 1.056 304 L CA 0.084 54.650 54.840 -0.455 0.000 0.804 304 L CB 0.398 42.289 42.059 -0.280 0.000 1.203 304 L HN 0.437 nan 8.230 nan 0.000 0.440 305 F N 3.057 122.814 119.950 -0.321 0.000 2.588 305 F HA 0.459 4.992 4.527 0.010 0.000 0.314 305 F C -0.488 175.080 175.800 -0.386 0.000 1.134 305 F CA -0.844 56.842 58.000 -0.523 0.000 0.961 305 F CB 1.881 40.305 39.000 -0.960 0.000 1.239 305 F HN -0.005 nan 8.300 nan 0.000 0.448 306 V N 4.609 124.434 119.914 -0.149 0.000 2.407 306 V HA 0.327 4.452 4.120 0.009 0.000 0.278 306 V C 0.095 176.260 176.094 0.117 0.000 1.037 306 V CA -0.736 61.559 62.300 -0.009 0.000 0.900 306 V CB 1.456 33.316 31.823 0.063 0.000 0.983 306 V HN 0.532 nan 8.190 nan 0.000 0.459 307 L N 7.409 128.728 121.223 0.160 0.000 2.410 307 L HA 0.266 4.612 4.340 0.009 0.000 0.273 307 L C -2.099 174.880 176.870 0.181 0.000 1.152 307 L CA -1.412 53.573 54.840 0.242 0.000 0.855 307 L CB 0.477 42.615 42.059 0.132 0.000 1.129 307 L HN 0.445 nan 8.230 nan 0.000 0.463 308 P HA 0.068 nan 4.420 nan 0.000 0.264 308 P C -1.965 175.390 177.300 0.091 0.000 1.229 308 P CA -0.938 62.241 63.100 0.132 0.000 0.780 308 P CB 0.449 32.218 31.700 0.115 0.000 0.808 309 P HA -0.312 nan 4.420 nan 0.000 0.222 309 P C 1.507 178.840 177.300 0.056 0.000 1.157 309 P CA 1.602 64.745 63.100 0.073 0.000 0.905 309 P CB -0.201 31.544 31.700 0.076 0.000 0.792 310 E N -0.126 120.104 120.200 0.049 0.000 2.209 310 E HA -0.177 4.178 4.350 0.009 0.000 0.196 310 E C 1.772 178.390 176.600 0.031 0.000 0.993 310 E CA 1.207 57.629 56.400 0.036 0.000 0.819 310 E CB -1.097 28.620 29.700 0.030 0.000 0.745 310 E HN 0.306 nan 8.360 nan 0.000 0.477 311 L N 1.136 122.379 121.223 0.034 0.000 2.313 311 L HA 0.057 4.403 4.340 0.009 0.000 0.214 311 L C 0.850 177.739 176.870 0.032 0.000 1.119 311 L CA 0.234 55.090 54.840 0.026 0.000 0.809 311 L CB 0.257 42.325 42.059 0.016 0.000 0.933 311 L HN -0.059 nan 8.230 nan 0.000 0.449 312 V N 2.301 122.236 119.914 0.035 0.000 2.284 312 V HA 0.125 4.250 4.120 0.009 0.000 0.260 312 V C 0.164 176.288 176.094 0.049 0.000 1.084 312 V CA -0.517 61.802 62.300 0.031 0.000 0.894 312 V CB 0.921 32.752 31.823 0.013 0.000 1.119 312 V HN 0.065 nan 8.190 nan 0.000 0.484 313 L N 5.309 126.568 121.223 0.060 0.000 2.410 313 L HA 0.411 4.756 4.340 0.009 0.000 0.273 313 L C 0.200 177.113 176.870 0.072 0.000 1.152 313 L CA 0.867 55.739 54.840 0.053 0.000 0.855 313 L CB 0.332 42.421 42.059 0.050 0.000 1.129 313 L HN 0.652 nan 8.230 nan 0.000 0.463 314 E N 3.193 123.409 120.200 0.028 0.000 2.369 314 E HA 0.605 4.961 4.350 0.009 0.000 0.270 314 E C -1.536 175.005 176.600 -0.099 0.000 0.909 314 E CA -1.029 55.380 56.400 0.016 0.000 0.775 314 E CB 2.425 32.160 29.700 0.058 0.000 1.270 314 E HN 0.357 nan 8.360 nan 0.000 0.445 315 V N 2.354 122.166 119.914 -0.170 0.000 2.409 315 V HA 0.306 4.431 4.120 0.009 0.000 0.290 315 V C -2.469 173.523 176.094 -0.169 0.000 1.017 315 V CA -1.987 60.139 62.300 -0.290 0.000 0.841 315 V CB 1.185 32.556 31.823 -0.753 0.000 1.003 315 V HN 0.512 nan 8.190 nan 0.000 0.426 316 P HA 0.286 nan 4.420 nan 0.000 0.271 316 P C -0.603 176.678 177.300 -0.032 0.000 1.216 316 P CA -0.068 62.983 63.100 -0.081 0.000 0.776 316 P CB 0.665 32.334 31.700 -0.052 0.000 0.881 317 L N 3.165 124.410 121.223 0.036 0.000 2.307 317 L HA 0.513 4.858 4.340 0.009 0.000 0.282 317 L C 0.891 177.915 176.870 0.255 0.000 1.051 317 L CA -0.240 54.690 54.840 0.149 0.000 0.804 317 L CB 0.876 43.087 42.059 0.254 0.000 1.197 317 L HN 0.499 nan 8.230 nan 0.000 0.431 318 E N 1.329 121.649 120.200 0.201 0.000 2.413 318 E HA 0.397 4.753 4.350 0.009 0.000 0.277 318 E C -1.425 175.180 176.600 0.007 0.000 0.958 318 E CA -0.954 55.580 56.400 0.223 0.000 0.779 318 E CB 2.224 32.022 29.700 0.163 0.000 1.278 318 E HN 0.454 nan 8.360 nan 0.000 0.456 319 H N 1.579 120.516 119.070 -0.222 0.000 2.472 319 H HA 0.250 4.812 4.556 0.009 0.000 0.338 319 H C -1.741 173.327 175.328 -0.433 0.000 1.133 319 H CA -2.257 53.510 56.048 -0.467 0.000 1.216 319 H CB 1.984 31.357 29.762 -0.649 0.000 1.497 319 H HN 0.434 nan 8.280 nan 0.000 0.500 320 P HA -0.116 nan 4.420 nan 0.000 0.218 320 P C 0.876 178.043 177.300 -0.221 0.000 1.149 320 P CA 1.729 64.383 63.100 -0.742 0.000 0.817 320 P CB 0.468 31.666 31.700 -0.837 0.000 0.785 321 T N -4.486 110.116 114.554 0.080 0.000 2.964 321 T HA 0.222 4.578 4.350 0.009 0.000 0.250 321 T C 0.863 175.506 174.700 -0.096 0.000 0.982 321 T CA -0.224 61.883 62.100 0.011 0.000 0.959 321 T CB -0.525 68.356 68.868 0.022 0.000 1.141 321 T HN -0.065 nan 8.240 nan 0.000 0.494 322 L N 2.742 123.796 121.223 -0.283 0.000 2.356 322 L HA 0.391 4.737 4.340 0.009 0.000 0.282 322 L C 1.226 177.718 176.870 -0.630 0.000 1.132 322 L CA -0.361 54.065 54.840 -0.689 0.000 0.923 322 L CB 0.553 41.830 42.059 -1.304 0.000 1.278 322 L HN 0.221 nan 8.230 nan 0.000 0.436 323 E N 3.189 123.189 120.200 -0.333 0.000 2.130 323 E HA -0.225 4.131 4.350 0.009 0.000 0.196 323 E C 1.573 178.122 176.600 -0.086 0.000 0.998 323 E CA 1.707 58.024 56.400 -0.138 0.000 0.806 323 E CB -0.007 29.689 29.700 -0.007 0.000 0.738 323 E HN 0.810 nan 8.360 nan 0.000 0.459 324 W N 0.059 121.407 121.300 0.080 0.000 2.525 324 W HA -0.054 4.612 4.660 0.009 0.000 0.259 324 W C 1.534 178.105 176.519 0.086 0.000 1.253 324 W CA -0.133 57.249 57.345 0.063 0.000 1.262 324 W CB -0.937 28.539 29.460 0.027 0.000 1.122 324 W HN -0.030 nan 8.180 nan 0.000 0.607 325 F N 3.000 122.678 119.950 -0.453 0.000 2.091 325 F HA -0.221 4.312 4.527 0.009 0.000 0.299 325 F C 2.753 178.574 175.800 0.034 0.000 1.103 325 F CA 3.279 61.137 58.000 -0.237 0.000 1.228 325 F CB -0.646 38.096 39.000 -0.429 0.000 0.984 325 F HN -0.071 nan 8.300 nan 0.000 0.477 326 A N 0.139 123.092 122.820 0.222 0.000 1.948 326 A HA -0.174 4.151 4.320 0.009 0.000 0.220 326 A C 2.279 179.924 177.584 0.102 0.000 1.177 326 A CA 1.759 53.898 52.037 0.170 0.000 0.636 326 A CB -1.560 17.516 19.000 0.127 0.000 0.815 326 A HN 0.489 nan 8.150 nan 0.000 0.449 327 A N -0.540 122.348 122.820 0.114 0.000 2.178 327 A HA 0.096 4.421 4.320 0.009 0.000 0.218 327 A C 1.876 179.502 177.584 0.070 0.000 1.157 327 A CA 1.101 53.198 52.037 0.100 0.000 0.689 327 A CB -0.595 18.485 19.000 0.133 0.000 0.787 327 A HN 0.514 nan 8.150 nan 0.000 0.465 328 L N -1.187 120.051 121.223 0.025 0.000 2.465 328 L HA 0.066 4.411 4.340 0.009 0.000 0.224 328 L C 1.770 178.661 176.870 0.035 0.000 1.145 328 L CA 0.527 55.357 54.840 -0.017 0.000 0.834 328 L CB -0.589 41.353 42.059 -0.195 0.000 0.944 328 L HN 0.547 nan 8.230 nan 0.000 0.451 329 G N 1.036 109.862 108.800 0.042 0.000 2.249 329 G HA2 -0.285 3.681 3.960 0.009 0.000 0.273 329 G HA3 -0.285 3.681 3.960 0.009 0.000 0.273 329 G C 0.148 175.076 174.900 0.046 0.000 1.036 329 G CA 0.025 45.163 45.100 0.064 0.000 0.824 329 G HN 0.256 nan 8.290 nan 0.000 0.504 330 L N -0.386 120.831 121.223 -0.010 0.000 2.375 330 L HA 0.801 5.146 4.340 0.009 0.000 0.271 330 L C 1.056 177.753 176.870 -0.289 0.000 1.107 330 L CA -0.742 54.026 54.840 -0.120 0.000 0.806 330 L CB 1.108 43.188 42.059 0.036 0.000 1.146 330 L HN 0.588 nan 8.230 nan 0.000 0.447 331 R N 1.479 121.596 120.500 -0.640 0.000 2.747 331 R HA 0.529 4.874 4.340 0.009 0.000 0.272 331 R C -2.119 174.067 176.300 -0.191 0.000 1.032 331 R CA -1.009 54.853 56.100 -0.396 0.000 0.896 331 R CB 1.916 31.928 30.300 -0.481 0.000 1.253 331 R HN 0.655 nan 8.270 nan 0.000 0.461 332 W N 1.370 122.572 121.300 -0.164 0.000 3.146 332 W HA 0.334 4.999 4.660 0.008 0.000 0.319 332 W C -1.402 175.169 176.519 0.088 0.000 1.258 332 W CA -0.955 56.392 57.345 0.003 0.000 1.189 332 W CB 1.911 31.302 29.460 -0.114 0.000 1.412 332 W HN 0.694 nan 8.180 nan 0.000 0.567 333 Y N 1.123 121.296 120.300 -0.211 0.000 2.301 333 Y HA 0.583 5.138 4.550 0.008 0.000 0.328 333 Y C 0.742 176.871 175.900 0.383 0.000 1.242 333 Y CA 0.058 58.156 58.100 -0.004 0.000 1.323 333 Y CB 0.460 38.788 38.460 -0.221 0.000 1.266 333 Y HN 0.345 nan 8.280 nan 0.000 0.527 334 A N 2.568 125.674 122.820 0.476 0.000 1.970 334 A HA 0.064 4.389 4.320 0.009 0.000 0.216 334 A C 0.496 178.444 177.584 0.606 0.000 1.170 334 A CA 0.363 52.747 52.037 0.579 0.000 0.645 334 A CB -0.288 18.910 19.000 0.331 0.000 0.816 334 A HN 0.672 nan 8.150 nan 0.000 0.447 335 L N 2.020 123.557 121.223 0.523 0.000 2.255 335 L HA 0.402 4.747 4.340 0.009 0.000 0.289 335 L C -2.525 174.544 176.870 0.332 0.000 1.046 335 L CA -2.217 52.836 54.840 0.356 0.000 0.816 335 L CB 1.474 43.670 42.059 0.228 0.000 1.197 335 L HN -0.010 nan 8.230 nan 0.000 0.427 336 P HA 0.321 nan 4.420 nan 0.000 0.295 336 P C -1.420 175.815 177.300 -0.108 0.000 1.354 336 P CA -0.378 62.638 63.100 -0.140 0.000 0.814 336 P CB 1.360 32.546 31.700 -0.856 0.000 0.935 337 A N 4.663 127.423 122.820 -0.099 0.000 2.586 337 A HA 0.375 4.701 4.320 0.009 0.000 0.320 337 A C -0.076 177.280 177.584 -0.379 0.000 1.281 337 A CA -0.665 51.228 52.037 -0.238 0.000 0.775 337 A CB 0.548 19.434 19.000 -0.190 0.000 1.122 337 A HN 0.300 nan 8.150 nan 0.000 0.470 338 V N 2.795 122.322 119.914 -0.645 0.000 2.493 338 V HA 0.113 4.238 4.120 0.009 0.000 0.292 338 V C 1.330 177.014 176.094 -0.683 0.000 1.016 338 V CA 1.453 63.344 62.300 -0.681 0.000 1.097 338 V CB 0.770 32.025 31.823 -0.947 0.000 0.947 338 V HN 1.058 nan 8.190 nan 0.000 0.479 339 S N 1.930 117.437 115.700 -0.323 0.000 2.666 339 S HA 0.060 4.535 4.470 0.009 0.000 0.239 339 S C 0.797 175.362 174.600 -0.058 0.000 1.031 339 S CA 0.084 58.172 58.200 -0.187 0.000 1.015 339 S CB -0.375 62.755 63.200 -0.116 0.000 0.981 339 S HN 0.927 nan 8.310 nan 0.000 0.547 340 N N 0.367 119.041 118.700 -0.043 0.000 2.204 340 N HA 0.306 5.051 4.740 0.009 0.000 0.219 340 N C 0.050 175.600 175.510 0.065 0.000 1.151 340 N CA -0.515 52.548 53.050 0.023 0.000 0.867 340 N CB 0.133 38.634 38.487 0.023 0.000 1.043 340 N HN 0.258 nan 8.380 nan 0.000 0.516 341 M N 1.414 121.065 119.600 0.084 0.000 2.342 341 M HA 0.295 4.780 4.480 0.009 0.000 0.332 341 M C -0.523 175.904 176.300 0.211 0.000 1.166 341 M CA -0.817 54.581 55.300 0.163 0.000 1.086 341 M CB 2.392 35.121 32.600 0.215 0.000 1.541 341 M HN 0.150 nan 8.290 nan 0.000 0.462 342 L N 3.362 124.693 121.223 0.180 0.000 2.289 342 L HA 0.479 4.824 4.340 0.009 0.000 0.285 342 L C -1.231 175.738 176.870 0.165 0.000 1.049 342 L CA -0.857 54.076 54.840 0.155 0.000 0.804 342 L CB 0.946 43.054 42.059 0.082 0.000 1.195 342 L HN 0.595 nan 8.230 nan 0.000 0.428 343 L N 5.514 126.830 121.223 0.155 0.000 2.265 343 L HA 0.446 4.792 4.340 0.009 0.000 0.289 343 L C -0.479 176.394 176.870 0.005 0.000 1.033 343 L CA 0.246 55.070 54.840 -0.027 0.000 0.814 343 L CB 1.072 43.106 42.059 -0.042 0.000 1.203 343 L HN 0.643 nan 8.230 nan 0.000 0.423 344 E N 6.534 126.664 120.200 -0.117 0.000 2.151 344 E HA 0.426 4.781 4.350 0.009 0.000 0.275 344 E C -1.575 174.936 176.600 -0.148 0.000 0.936 344 E CA -0.471 55.877 56.400 -0.087 0.000 0.777 344 E CB 1.233 30.885 29.700 -0.080 0.000 1.108 344 E HN 0.736 nan 8.360 nan 0.000 0.401 345 I N 2.598 123.080 120.570 -0.147 0.000 2.500 345 I HA 0.256 4.431 4.170 0.009 0.000 0.286 345 I C 0.708 176.617 176.117 -0.347 0.000 1.063 345 I CA -0.703 60.396 61.300 -0.336 0.000 1.062 345 I CB 1.985 39.708 38.000 -0.462 0.000 1.223 345 I HN 0.794 nan 8.210 nan 0.000 0.435 346 G N 4.166 112.830 108.800 -0.225 0.000 2.341 346 G HA2 -0.112 3.854 3.960 0.009 0.000 0.292 346 G HA3 -0.112 3.854 3.960 0.009 0.000 0.292 346 G C 1.036 176.025 174.900 0.149 0.000 1.021 346 G CA 0.820 45.975 45.100 0.091 0.000 0.905 346 G HN 1.577 nan 8.290 nan 0.000 0.508 347 G N -1.917 106.905 108.800 0.038 0.000 2.268 347 G HA2 -0.247 3.718 3.960 0.009 0.000 0.240 347 G HA3 -0.247 3.718 3.960 0.009 0.000 0.240 347 G C 0.580 175.432 174.900 -0.080 0.000 1.010 347 G CA 0.441 45.558 45.100 0.028 0.000 0.618 347 G HN 1.295 nan 8.290 nan 0.000 0.516 348 L N 0.865 121.976 121.223 -0.187 0.000 2.417 348 L HA 0.548 4.893 4.340 0.009 0.000 0.268 348 L C 0.345 177.005 176.870 -0.351 0.000 1.158 348 L CA -0.157 54.454 54.840 -0.381 0.000 0.819 348 L CB 0.905 42.618 42.059 -0.576 0.000 1.112 348 L HN 0.207 nan 8.230 nan 0.000 0.458 349 E N 2.404 122.343 120.200 -0.436 0.000 2.155 349 E HA 0.332 4.687 4.350 0.009 0.000 0.264 349 E C -1.429 174.912 176.600 -0.432 0.000 0.886 349 E CA -0.367 55.851 56.400 -0.303 0.000 0.752 349 E CB 1.450 31.051 29.700 -0.165 0.000 1.133 349 E HN 0.269 nan 8.360 nan 0.000 0.414 350 F N 2.277 122.190 119.950 -0.063 0.000 2.309 350 F HA 0.082 4.615 4.527 0.010 0.000 0.366 350 F C 1.611 177.435 175.800 0.040 0.000 1.104 350 F CA -0.408 57.579 58.000 -0.020 0.000 1.179 350 F CB 0.872 39.840 39.000 -0.052 0.000 1.437 350 F HN 0.435 nan 8.300 nan 0.000 0.528 351 S N 1.331 117.122 115.700 0.152 0.000 2.442 351 S HA 0.100 4.575 4.470 0.009 0.000 0.236 351 S C 0.850 175.569 174.600 0.198 0.000 1.007 351 S CA 0.452 58.740 58.200 0.146 0.000 0.965 351 S CB -0.033 63.232 63.200 0.109 0.000 0.773 351 S HN 0.462 nan 8.310 nan 0.000 0.504 352 A N 0.308 123.292 122.820 0.273 0.000 2.332 352 A HA 0.841 5.167 4.320 0.009 0.000 0.300 352 A C -0.180 177.634 177.584 0.382 0.000 1.153 352 A CA -0.209 52.016 52.037 0.314 0.000 0.764 352 A CB 1.175 20.361 19.000 0.309 0.000 1.174 352 A HN 1.165 nan 8.150 nan 0.000 0.467 353 A N 4.043 127.038 122.820 0.290 0.000 3.208 353 A HA 0.572 4.898 4.320 0.009 0.000 0.252 353 A C -3.049 174.650 177.584 0.190 0.000 1.225 353 A CA -0.712 51.447 52.037 0.204 0.000 0.980 353 A CB 0.246 19.356 19.000 0.184 0.000 1.414 353 A HN 0.541 nan 8.150 nan 0.000 0.721 354 P HA 0.415 nan 4.420 nan 0.000 0.265 354 P C -0.664 176.606 177.300 -0.049 0.000 1.193 354 P CA 0.493 63.519 63.100 -0.124 0.000 0.765 354 P CB 0.265 31.852 31.700 -0.187 0.000 0.823 355 F N -0.152 119.743 119.950 -0.092 0.000 2.620 355 F HA 0.814 5.345 4.527 0.008 0.000 0.320 355 F C -0.617 175.115 175.800 -0.113 0.000 1.069 355 F CA -1.274 56.684 58.000 -0.070 0.000 0.953 355 F CB 1.569 40.426 39.000 -0.239 0.000 1.322 355 F HN 0.454 nan 8.300 nan 0.000 0.479 356 S N -0.276 115.548 115.700 0.207 0.000 2.547 356 S HA 0.887 5.363 4.470 0.009 0.000 0.270 356 S C -0.816 173.763 174.600 -0.035 0.000 1.150 356 S CA -0.182 58.062 58.200 0.073 0.000 0.850 356 S CB 1.352 64.653 63.200 0.167 0.000 1.118 356 S HN 1.543 nan 8.310 nan 0.000 0.461 357 G N 0.021 108.750 108.800 -0.117 0.000 3.190 357 G HA2 0.730 4.696 3.960 0.009 0.000 0.191 357 G HA3 0.730 4.696 3.960 0.009 0.000 0.191 357 G C -1.392 173.544 174.900 0.060 0.000 1.523 357 G CA -0.077 44.897 45.100 -0.210 0.000 0.842 357 G HN 1.300 nan 8.290 nan 0.000 0.782 358 W N -1.503 119.786 121.300 -0.018 0.000 3.075 358 W HA 0.795 5.459 4.660 0.007 0.000 0.334 358 W C -1.829 174.667 176.519 -0.039 0.000 1.243 358 W CA -2.168 55.181 57.345 0.006 0.000 1.170 358 W CB 0.407 29.913 29.460 0.076 0.000 1.452 358 W HN 0.377 nan 8.180 nan 0.000 0.572 359 Y N 2.792 123.260 120.300 0.279 0.000 2.411 359 Y HA 0.271 4.827 4.550 0.009 0.000 0.333 359 Y C 0.905 176.846 175.900 0.068 0.000 1.186 359 Y CA -0.375 57.772 58.100 0.079 0.000 1.381 359 Y CB 1.098 39.508 38.460 -0.084 0.000 1.273 359 Y HN 0.456 nan 8.280 nan 0.000 0.546 360 M N 2.526 122.258 119.600 0.220 0.000 2.209 360 M HA 0.183 4.668 4.480 0.009 0.000 0.355 360 M C 1.139 177.453 176.300 0.024 0.000 1.171 360 M CA -0.208 55.163 55.300 0.118 0.000 1.069 360 M CB 1.072 33.715 32.600 0.071 0.000 1.622 360 M HN 0.854 nan 8.290 nan 0.000 0.459 361 S N 1.426 117.097 115.700 -0.049 0.000 2.392 361 S HA -0.212 4.263 4.470 0.009 0.000 0.232 361 S C 1.507 175.991 174.600 -0.193 0.000 1.041 361 S CA 2.235 60.333 58.200 -0.170 0.000 1.026 361 S CB -1.421 61.714 63.200 -0.108 0.000 0.845 361 S HN 0.932 nan 8.310 nan 0.000 0.465 362 T N -0.616 113.857 114.554 -0.136 0.000 2.881 362 T HA -0.018 4.337 4.350 0.009 0.000 0.270 362 T C 1.612 176.182 174.700 -0.217 0.000 1.068 362 T CA 1.352 63.325 62.100 -0.211 0.000 1.131 362 T CB -0.509 68.195 68.868 -0.273 0.000 0.871 362 T HN 0.436 nan 8.240 nan 0.000 0.479 363 E N 1.204 121.305 120.200 -0.165 0.000 2.110 363 E HA -0.004 4.352 4.350 0.009 0.000 0.193 363 E C 1.854 178.240 176.600 -0.356 0.000 0.988 363 E CA 1.046 57.362 56.400 -0.140 0.000 0.804 363 E CB -0.424 29.329 29.700 0.088 0.000 0.745 363 E HN 0.704 nan 8.360 nan 0.000 0.458 364 I N -1.136 119.087 120.570 -0.579 0.000 2.270 364 I HA 0.009 4.185 4.170 0.009 0.000 0.239 364 I C 2.371 178.128 176.117 -0.601 0.000 1.080 364 I CA 0.908 61.651 61.300 -0.927 0.000 1.383 364 I CB -0.651 36.680 38.000 -1.115 0.000 1.097 364 I HN 0.190 nan 8.210 nan 0.000 0.420 365 G N 0.222 108.784 108.800 -0.398 0.000 2.422 365 G HA2 -0.154 3.811 3.960 0.009 0.000 0.218 365 G HA3 -0.154 3.811 3.960 0.009 0.000 0.218 365 G C 1.607 176.397 174.900 -0.184 0.000 1.140 365 G CA 1.441 46.400 45.100 -0.235 0.000 0.775 365 G HN 0.304 nan 8.290 nan 0.000 0.545 366 T N -0.141 114.285 114.554 -0.213 0.000 3.053 366 T HA 0.111 4.466 4.350 0.009 0.000 0.236 366 T C 2.513 177.112 174.700 -0.169 0.000 0.996 366 T CA 0.184 62.178 62.100 -0.176 0.000 1.185 366 T CB 0.103 68.852 68.868 -0.200 0.000 0.892 366 T HN 0.002 nan 8.240 nan 0.000 0.432 367 R N 2.135 122.519 120.500 -0.192 0.000 2.056 367 R HA 0.151 4.496 4.340 0.009 0.000 0.227 367 R C 2.204 178.411 176.300 -0.155 0.000 1.149 367 R CA 1.090 57.091 56.100 -0.165 0.000 0.937 367 R CB -1.236 28.979 30.300 -0.141 0.000 0.835 367 R HN 0.331 nan 8.270 nan 0.000 0.430 368 N N 1.058 119.627 118.700 -0.219 0.000 2.120 368 N HA -0.101 4.644 4.740 0.009 0.000 0.188 368 N C 1.966 177.437 175.510 -0.064 0.000 1.024 368 N CA 1.098 54.039 53.050 -0.182 0.000 0.852 368 N CB -0.231 37.873 38.487 -0.639 0.000 1.003 368 N HN 0.195 nan 8.380 nan 0.000 0.424 369 L N -0.656 120.459 121.223 -0.181 0.000 2.375 369 L HA 0.072 4.417 4.340 0.009 0.000 0.215 369 L C 1.307 178.208 176.870 0.052 0.000 1.108 369 L CA 0.367 55.194 54.840 -0.021 0.000 0.830 369 L CB 0.207 42.220 42.059 -0.077 0.000 0.959 369 L HN 0.168 nan 8.230 nan 0.000 0.457 370 C N -1.774 117.515 119.300 -0.020 0.000 3.403 370 C HA 0.187 4.652 4.460 0.009 0.000 0.317 370 C C 0.695 175.659 174.990 -0.043 0.000 1.346 370 C CA -0.880 58.132 59.018 -0.009 0.000 1.743 370 C CB -0.084 27.637 27.740 -0.030 0.000 2.308 370 C HN 0.280 nan 8.230 nan 0.000 0.675 371 D N 3.058 123.395 120.400 -0.104 0.000 2.472 371 D HA 0.044 4.689 4.640 0.009 0.000 0.237 371 D C -1.104 175.109 176.300 -0.146 0.000 1.141 371 D CA -1.216 52.665 54.000 -0.199 0.000 0.875 371 D CB 0.720 41.241 40.800 -0.465 0.000 1.192 371 D HN 0.195 nan 8.370 nan 0.000 0.450 372 P HA -0.151 nan 4.420 nan 0.000 0.220 372 P C 0.694 178.038 177.300 0.074 0.000 1.148 372 P CA 1.274 64.407 63.100 0.055 0.000 0.803 372 P CB -0.000 31.771 31.700 0.118 0.000 0.782 373 H N -2.191 116.894 119.070 0.026 0.000 2.524 373 H HA 0.344 4.905 4.556 0.009 0.000 0.280 373 H C 0.971 176.314 175.328 0.025 0.000 1.018 373 H CA -0.217 55.844 56.048 0.022 0.000 1.165 373 H CB -0.064 29.712 29.762 0.022 0.000 1.411 373 H HN -0.002 nan 8.280 nan 0.000 0.569 374 R N -0.133 120.287 120.500 -0.133 0.000 3.066 374 R HA 0.169 4.514 4.340 0.009 0.000 0.143 374 R C 1.136 177.406 176.300 -0.051 0.000 1.187 374 R CA -0.754 55.315 56.100 -0.051 0.000 0.722 374 R CB -0.855 29.450 30.300 0.007 0.000 1.366 374 R HN 0.077 nan 8.270 nan 0.000 0.421 375 Y N 1.904 122.234 120.300 0.051 0.000 2.483 375 Y HA -0.070 4.486 4.550 0.009 0.000 0.291 375 Y C 0.805 176.733 175.900 0.047 0.000 1.143 375 Y CA 1.256 59.397 58.100 0.069 0.000 1.289 375 Y CB -0.368 38.176 38.460 0.140 0.000 0.983 375 Y HN 0.525 nan 8.280 nan 0.000 0.556 376 N N 1.135 119.913 118.700 0.130 0.000 2.689 376 N HA -0.232 4.514 4.740 0.009 0.000 0.263 376 N C 0.539 176.125 175.510 0.127 0.000 0.987 376 N CA 0.426 53.532 53.050 0.094 0.000 0.782 376 N CB -0.979 37.545 38.487 0.061 0.000 0.903 376 N HN 0.651 nan 8.380 nan 0.000 0.547 377 I N -2.821 117.843 120.570 0.156 0.000 3.812 377 I HA 0.005 4.180 4.170 0.009 0.000 0.320 377 I C 1.720 177.933 176.117 0.160 0.000 1.276 377 I CA -0.398 60.995 61.300 0.156 0.000 1.164 377 I CB -0.004 38.100 38.000 0.173 0.000 1.009 377 I HN 0.108 nan 8.210 nan 0.000 0.431 378 L N 1.964 123.287 121.223 0.166 0.000 1.990 378 L HA -0.233 4.112 4.340 0.009 0.000 0.213 378 L C 2.617 179.690 176.870 0.338 0.000 1.072 378 L CA 2.341 57.311 54.840 0.217 0.000 0.755 378 L CB -0.882 41.270 42.059 0.155 0.000 0.889 378 L HN 0.546 nan 8.230 nan 0.000 0.432 379 E N -1.066 119.337 120.200 0.338 0.000 2.077 379 E HA -0.241 4.114 4.350 0.009 0.000 0.193 379 E C 1.725 178.371 176.600 0.078 0.000 0.989 379 E CA 1.470 58.009 56.400 0.232 0.000 0.800 379 E CB -0.038 29.729 29.700 0.112 0.000 0.746 379 E HN 0.510 nan 8.360 nan 0.000 0.452 380 D N 0.300 120.743 120.400 0.072 0.000 2.092 380 D HA -0.166 4.480 4.640 0.009 0.000 0.193 380 D C 2.141 178.448 176.300 0.011 0.000 0.994 380 D CA 1.396 55.405 54.000 0.015 0.000 0.828 380 D CB -0.406 40.410 40.800 0.027 0.000 0.963 380 D HN 0.143 nan 8.370 nan 0.000 0.450 381 V N 1.609 121.583 119.914 0.101 0.000 2.332 381 V HA -0.253 3.872 4.120 0.009 0.000 0.248 381 V C 2.564 178.748 176.094 0.151 0.000 1.055 381 V CA 1.830 64.238 62.300 0.180 0.000 1.038 381 V CB -0.834 31.176 31.823 0.312 0.000 0.651 381 V HN 0.194 nan 8.190 nan 0.000 0.450 382 A N -0.250 122.673 122.820 0.173 0.000 1.902 382 A HA -0.162 4.163 4.320 0.009 0.000 0.217 382 A C 2.407 179.977 177.584 -0.022 0.000 1.181 382 A CA 2.081 54.216 52.037 0.162 0.000 0.623 382 A CB -0.710 18.483 19.000 0.322 0.000 0.818 382 A HN 0.331 nan 8.150 nan 0.000 0.443 383 V N -0.590 119.261 119.914 -0.105 0.000 2.287 383 V HA -0.352 3.773 4.120 0.009 0.000 0.248 383 V C 2.654 178.602 176.094 -0.243 0.000 1.053 383 V CA 2.159 64.353 62.300 -0.177 0.000 1.027 383 V CB -1.144 30.576 31.823 -0.171 0.000 0.646 383 V HN 0.717 nan 8.190 nan 0.000 0.447 384 C N -0.515 118.577 119.300 -0.347 0.000 2.419 384 C HA -0.153 4.312 4.460 0.009 0.000 0.281 384 C C 2.652 177.225 174.990 -0.696 0.000 1.336 384 C CA 1.015 59.590 59.018 -0.740 0.000 1.770 384 C CB -1.110 25.880 27.740 -1.250 0.000 1.929 384 C HN 0.537 nan 8.230 nan 0.000 0.509 385 M N -0.114 119.333 119.600 -0.256 0.000 2.595 385 M HA 0.023 4.508 4.480 0.009 0.000 0.248 385 M C 0.573 176.860 176.300 -0.022 0.000 1.119 385 M CA 0.927 56.236 55.300 0.016 0.000 1.079 385 M CB -0.301 32.412 32.600 0.188 0.000 1.472 385 M HN 0.263 nan 8.290 nan 0.000 0.501 386 D N 1.113 121.452 120.400 -0.101 0.000 2.775 386 D HA -0.141 4.505 4.640 0.009 0.000 0.235 386 D C -1.012 175.263 176.300 -0.042 0.000 1.120 386 D CA 0.442 54.392 54.000 -0.084 0.000 0.708 386 D CB -0.992 39.768 40.800 -0.066 0.000 1.084 386 D HN 0.286 nan 8.370 nan 0.000 0.434 387 L N -0.219 120.983 121.223 -0.035 0.000 2.375 387 L HA 0.428 4.773 4.340 0.009 0.000 0.268 387 L C 0.880 177.693 176.870 -0.095 0.000 1.058 387 L CA -0.937 53.904 54.840 0.002 0.000 0.803 387 L CB 0.834 42.964 42.059 0.117 0.000 1.212 387 L HN -0.024 nan 8.230 nan 0.000 0.451 388 D N 0.727 121.090 120.400 -0.061 0.000 2.435 388 D HA 0.011 4.657 4.640 0.009 0.000 0.230 388 D C 1.019 177.100 176.300 -0.366 0.000 1.215 388 D CA -0.114 53.804 54.000 -0.136 0.000 0.947 388 D CB 0.781 41.564 40.800 -0.028 0.000 1.048 388 D HN 0.606 nan 8.370 nan 0.000 0.512 389 T N 0.811 114.946 114.554 -0.699 0.000 3.194 389 T HA 0.069 4.424 4.350 0.009 0.000 0.251 389 T C 1.395 175.711 174.700 -0.640 0.000 1.132 389 T CA -0.048 61.175 62.100 -1.463 0.000 1.028 389 T CB 0.164 68.165 68.868 -1.446 0.000 0.976 389 T HN 0.079 nan 8.240 nan 0.000 0.535 390 R N 0.658 120.987 120.500 -0.286 0.000 2.280 390 R HA 0.241 4.586 4.340 0.009 0.000 0.195 390 R C 0.601 176.917 176.300 0.028 0.000 0.935 390 R CA 0.327 56.369 56.100 -0.097 0.000 1.033 390 R CB 0.195 30.447 30.300 -0.081 0.000 0.964 390 R HN 0.464 nan 8.270 nan 0.000 0.489 391 T N -0.750 113.864 114.554 0.101 0.000 2.952 391 T HA 0.145 4.500 4.350 0.009 0.000 0.305 391 T C 1.130 176.004 174.700 0.289 0.000 1.064 391 T CA -0.261 61.935 62.100 0.160 0.000 1.008 391 T CB 1.607 70.534 68.868 0.097 0.000 1.078 391 T HN 0.244 nan 8.240 nan 0.000 0.459 392 T N 1.165 115.848 114.554 0.215 0.000 2.788 392 T HA -0.117 4.238 4.350 0.009 0.000 0.268 392 T C 2.142 176.899 174.700 0.096 0.000 1.044 392 T CA 1.783 63.972 62.100 0.149 0.000 1.139 392 T CB -0.752 68.157 68.868 0.068 0.000 0.867 392 T HN 0.713 nan 8.240 nan 0.000 0.454 393 S N 2.116 117.870 115.700 0.090 0.000 2.537 393 S HA -0.080 4.395 4.470 0.009 0.000 0.240 393 S C 2.102 176.750 174.600 0.081 0.000 0.981 393 S CA 0.929 59.168 58.200 0.064 0.000 0.948 393 S CB -0.938 62.292 63.200 0.051 0.000 0.759 393 S HN 0.795 nan 8.310 nan 0.000 0.531 394 S N 1.512 117.297 115.700 0.142 0.000 2.527 394 S HA 0.239 4.714 4.470 0.009 0.000 0.222 394 S C 0.977 175.663 174.600 0.144 0.000 0.985 394 S CA 0.191 58.484 58.200 0.156 0.000 0.921 394 S CB -0.944 62.385 63.200 0.215 0.000 0.772 394 S HN 0.623 nan 8.310 nan 0.000 0.529 395 L N 0.806 122.078 121.223 0.082 0.000 3.843 395 L HA -0.173 4.173 4.340 0.009 0.000 0.411 395 L C 1.623 178.488 176.870 -0.008 0.000 1.205 395 L CA 0.733 55.557 54.840 -0.025 0.000 0.945 395 L CB -2.459 39.597 42.059 -0.004 0.000 1.929 395 L HN 0.747 nan 8.230 nan 0.000 0.934 396 W N -0.117 121.195 121.300 0.020 0.000 2.392 396 W HA -0.138 4.528 4.660 0.009 0.000 0.279 396 W C 1.688 178.227 176.519 0.032 0.000 1.225 396 W CA 1.183 58.544 57.345 0.026 0.000 1.233 396 W CB -0.653 28.819 29.460 0.020 0.000 1.122 396 W HN 0.297 nan 8.180 nan 0.000 0.561 397 K N 1.043 121.008 120.400 -0.724 0.000 2.062 397 K HA -0.128 4.197 4.320 0.009 0.000 0.205 397 K C 1.553 178.012 176.600 -0.236 0.000 1.051 397 K CA 2.162 58.071 56.287 -0.630 0.000 0.941 397 K CB -0.276 31.718 32.500 -0.843 0.000 0.719 397 K HN 0.005 nan 8.250 nan 0.000 0.440 398 D N 0.742 121.026 120.400 -0.193 0.000 2.097 398 D HA -0.132 4.514 4.640 0.009 0.000 0.195 398 D C 1.662 177.952 176.300 -0.018 0.000 0.989 398 D CA 1.229 55.174 54.000 -0.093 0.000 0.827 398 D CB 0.052 40.806 40.800 -0.076 0.000 0.966 398 D HN 0.093 nan 8.370 nan 0.000 0.456 399 K N 0.523 120.938 120.400 0.026 0.000 2.026 399 K HA -0.062 4.264 4.320 0.009 0.000 0.208 399 K C 2.246 178.914 176.600 0.113 0.000 1.048 399 K CA 1.201 57.536 56.287 0.081 0.000 0.929 399 K CB -0.215 32.355 32.500 0.118 0.000 0.713 399 K HN 0.091 nan 8.250 nan 0.000 0.439 400 A N 1.590 124.498 122.820 0.146 0.000 1.877 400 A HA -0.146 4.179 4.320 0.009 0.000 0.216 400 A C 2.399 180.069 177.584 0.143 0.000 1.186 400 A CA 1.943 54.097 52.037 0.194 0.000 0.620 400 A CB -0.787 18.362 19.000 0.249 0.000 0.822 400 A HN 0.354 nan 8.150 nan 0.000 0.443 401 A N -0.537 122.322 122.820 0.066 0.000 1.883 401 A HA -0.055 4.270 4.320 0.009 0.000 0.217 401 A C 2.252 179.847 177.584 0.019 0.000 1.186 401 A CA 1.940 53.989 52.037 0.021 0.000 0.624 401 A CB -1.073 17.901 19.000 -0.044 0.000 0.822 401 A HN 0.423 nan 8.150 nan 0.000 0.444 402 V N 0.310 120.240 119.914 0.027 0.000 2.287 402 V HA -0.245 3.880 4.120 0.009 0.000 0.248 402 V C 2.621 178.745 176.094 0.049 0.000 1.053 402 V CA 2.271 64.591 62.300 0.034 0.000 1.027 402 V CB -0.753 31.100 31.823 0.049 0.000 0.646 402 V HN 0.525 nan 8.190 nan 0.000 0.447 403 E N -0.114 120.144 120.200 0.096 0.000 2.077 403 E HA -0.149 4.206 4.350 0.009 0.000 0.193 403 E C 2.109 178.743 176.600 0.056 0.000 0.989 403 E CA 1.303 57.788 56.400 0.141 0.000 0.800 403 E CB -0.350 29.468 29.700 0.197 0.000 0.746 403 E HN 0.596 nan 8.360 nan 0.000 0.452 404 I N 1.441 122.073 120.570 0.103 0.000 2.252 404 I HA -0.241 3.934 4.170 0.009 0.000 0.245 404 I C 2.122 178.216 176.117 -0.038 0.000 1.102 404 I CA 0.774 62.132 61.300 0.098 0.000 1.385 404 I CB -0.284 37.833 38.000 0.196 0.000 1.064 404 I HN 0.072 nan 8.210 nan 0.000 0.414 405 N N 0.734 119.409 118.700 -0.042 0.000 2.188 405 N HA -0.163 4.582 4.740 0.009 0.000 0.184 405 N C 1.911 177.371 175.510 -0.083 0.000 1.018 405 N CA 1.165 54.172 53.050 -0.072 0.000 0.858 405 N CB -0.140 38.312 38.487 -0.059 0.000 0.989 405 N HN 0.206 nan 8.380 nan 0.000 0.426 406 L N 1.541 122.703 121.223 -0.101 0.000 2.093 406 L HA -0.015 4.330 4.340 0.009 0.000 0.208 406 L C 2.215 178.934 176.870 -0.252 0.000 1.085 406 L CA 1.318 56.061 54.840 -0.162 0.000 0.755 406 L CB -0.780 41.151 42.059 -0.214 0.000 0.904 406 L HN 0.045 nan 8.230 nan 0.000 0.435 407 A N -1.099 121.506 122.820 -0.358 0.000 1.902 407 A HA -0.154 4.171 4.320 0.009 0.000 0.217 407 A C 2.257 179.756 177.584 -0.141 0.000 1.181 407 A CA 2.033 53.813 52.037 -0.428 0.000 0.623 407 A CB -1.093 17.388 19.000 -0.865 0.000 0.818 407 A HN 0.297 nan 8.150 nan 0.000 0.443 408 V N 0.062 119.923 119.914 -0.088 0.000 2.295 408 V HA -0.270 3.855 4.120 0.009 0.000 0.246 408 V C 2.575 178.703 176.094 0.056 0.000 1.049 408 V CA 2.023 64.328 62.300 0.008 0.000 1.024 408 V CB -0.811 30.934 31.823 -0.130 0.000 0.648 408 V HN 0.570 nan 8.190 nan 0.000 0.447 409 L N -0.575 120.632 121.223 -0.027 0.000 2.046 409 L HA -0.223 4.123 4.340 0.009 0.000 0.208 409 L C 2.612 179.513 176.870 0.051 0.000 1.077 409 L CA 2.096 56.935 54.840 -0.003 0.000 0.747 409 L CB -0.753 41.294 42.059 -0.019 0.000 0.896 409 L HN 0.473 nan 8.230 nan 0.000 0.432 410 H N -0.442 118.585 119.070 -0.071 0.000 2.326 410 H HA -0.110 4.451 4.556 0.009 0.000 0.301 410 H C 2.355 177.666 175.328 -0.028 0.000 1.081 410 H CA 1.856 57.853 56.048 -0.085 0.000 1.334 410 H CB 0.076 29.721 29.762 -0.194 0.000 1.385 410 H HN 0.122 nan 8.280 nan 0.000 0.504 411 S N -0.522 115.123 115.700 -0.091 0.000 2.383 411 S HA -0.096 4.380 4.470 0.009 0.000 0.227 411 S C 1.918 176.449 174.600 -0.115 0.000 1.026 411 S CA 1.142 59.263 58.200 -0.131 0.000 0.981 411 S CB -0.391 62.809 63.200 -0.001 0.000 0.818 411 S HN 0.359 nan 8.310 nan 0.000 0.472 412 F N 1.900 121.779 119.950 -0.119 0.000 2.163 412 F HA -0.088 4.443 4.527 0.008 0.000 0.297 412 F C 2.732 178.472 175.800 -0.100 0.000 1.094 412 F CA 1.033 58.988 58.000 -0.076 0.000 1.290 412 F CB -0.304 38.675 39.000 -0.036 0.000 1.017 412 F HN 0.178 nan 8.300 nan 0.000 0.483 413 Q N -0.178 119.653 119.800 0.052 0.000 2.020 413 Q HA -0.214 4.131 4.340 0.009 0.000 0.202 413 Q C 2.273 178.210 176.000 -0.104 0.000 0.982 413 Q CA 1.221 57.006 55.803 -0.030 0.000 0.838 413 Q CB -0.477 28.235 28.738 -0.045 0.000 0.899 413 Q HN 0.287 nan 8.270 nan 0.000 0.423 414 L N 0.557 121.652 121.223 -0.213 0.000 2.081 414 L HA -0.170 4.175 4.340 0.009 0.000 0.212 414 L C 1.938 178.719 176.870 -0.148 0.000 1.080 414 L CA 2.116 56.822 54.840 -0.223 0.000 0.754 414 L CB -1.122 40.721 42.059 -0.360 0.000 0.893 414 L HN 0.218 nan 8.230 nan 0.000 0.433 415 A N -1.397 121.331 122.820 -0.154 0.000 2.238 415 A HA -0.026 4.299 4.320 0.009 0.000 0.208 415 A C 0.997 178.522 177.584 -0.098 0.000 1.177 415 A CA 0.142 52.096 52.037 -0.138 0.000 0.804 415 A CB -0.107 18.769 19.000 -0.208 0.000 0.823 415 A HN 0.460 nan 8.150 nan 0.000 0.482 416 K N -1.461 118.895 120.400 -0.073 0.000 3.230 416 K HA -0.127 4.199 4.320 0.009 0.000 0.285 416 K C -0.443 176.140 176.600 -0.028 0.000 1.196 416 K CA 0.865 57.123 56.287 -0.048 0.000 0.838 416 K CB -2.797 29.672 32.500 -0.051 0.000 1.262 416 K HN 0.321 nan 8.250 nan 0.000 0.492 417 V N 1.828 121.744 119.914 0.003 0.000 2.394 417 V HA 0.146 4.271 4.120 0.009 0.000 0.282 417 V C 0.960 177.158 176.094 0.174 0.000 1.031 417 V CA -0.532 61.815 62.300 0.077 0.000 0.881 417 V CB 1.724 33.573 31.823 0.044 0.000 0.982 417 V HN 0.226 nan 8.190 nan 0.000 0.451 418 T N 6.522 121.115 114.554 0.065 0.000 2.923 418 T HA 0.313 4.669 4.350 0.009 0.000 0.304 418 T C -0.213 174.516 174.700 0.048 0.000 1.044 418 T CA 0.984 63.039 62.100 -0.076 0.000 1.141 418 T CB 0.027 68.709 68.868 -0.310 0.000 1.023 418 T HN 0.595 nan 8.240 nan 0.000 0.533 419 I N 2.023 122.559 120.570 -0.056 0.000 2.842 419 I HA 0.562 4.738 4.170 0.009 0.000 0.296 419 I C -1.716 174.413 176.117 0.020 0.000 1.538 419 I CA -0.890 60.413 61.300 0.005 0.000 0.994 419 I CB 1.839 39.756 38.000 -0.139 0.000 1.372 419 I HN 0.464 nan 8.210 nan 0.000 0.478 420 V N 5.139 125.123 119.914 0.117 0.000 2.686 420 V HA 0.473 4.599 4.120 0.009 0.000 0.306 420 V C -1.218 174.921 176.094 0.075 0.000 1.065 420 V CA -0.282 62.092 62.300 0.123 0.000 0.894 420 V CB 2.186 34.170 31.823 0.268 0.000 1.004 420 V HN 0.863 nan 8.190 nan 0.000 0.424 421 D N 4.194 124.614 120.400 0.034 0.000 2.344 421 D HA 0.169 4.814 4.640 0.009 0.000 0.244 421 D C 1.305 177.582 176.300 -0.038 0.000 1.134 421 D CA 0.162 54.162 54.000 0.000 0.000 0.930 421 D CB 0.476 41.243 40.800 -0.055 0.000 1.175 421 D HN 0.742 nan 8.370 nan 0.000 0.437 422 H N 0.115 119.106 119.070 -0.132 0.000 2.489 422 H HA -0.148 4.413 4.556 0.009 0.000 0.293 422 H C 0.888 176.107 175.328 -0.181 0.000 1.066 422 H CA 1.278 57.215 56.048 -0.185 0.000 1.305 422 H CB -0.525 29.072 29.762 -0.275 0.000 1.386 422 H HN 0.524 nan 8.280 nan 0.000 0.551 423 H N 1.162 120.015 119.070 -0.361 0.000 2.307 423 H HA 0.158 4.720 4.556 0.009 0.000 0.303 423 H C 2.550 177.848 175.328 -0.050 0.000 1.073 423 H CA 1.359 57.295 56.048 -0.187 0.000 1.338 423 H CB -0.363 29.258 29.762 -0.235 0.000 1.389 423 H HN 0.494 nan 8.280 nan 0.000 0.503 424 A N 1.464 124.334 122.820 0.084 0.000 1.902 424 A HA -0.101 4.225 4.320 0.009 0.000 0.217 424 A C 2.693 180.343 177.584 0.109 0.000 1.181 424 A CA 1.866 53.956 52.037 0.087 0.000 0.623 424 A CB -0.886 18.157 19.000 0.072 0.000 0.818 424 A HN 0.434 nan 8.150 nan 0.000 0.443 425 A N -0.093 122.788 122.820 0.102 0.000 1.865 425 A HA -0.156 4.170 4.320 0.009 0.000 0.217 425 A C 2.491 180.163 177.584 0.147 0.000 1.191 425 A CA 2.901 55.015 52.037 0.128 0.000 0.623 425 A CB -1.612 17.449 19.000 0.101 0.000 0.826 425 A HN 0.805 nan 8.150 nan 0.000 0.444 426 T N -2.408 112.215 114.554 0.114 0.000 2.788 426 T HA -0.125 4.231 4.350 0.009 0.000 0.268 426 T C 1.699 176.526 174.700 0.211 0.000 1.044 426 T CA 1.531 63.721 62.100 0.151 0.000 1.139 426 T CB -0.877 68.051 68.868 0.100 0.000 0.867 426 T HN 0.061 nan 8.240 nan 0.000 0.454 427 V N 2.742 122.755 119.914 0.166 0.000 2.295 427 V HA -0.186 3.940 4.120 0.009 0.000 0.246 427 V C 3.224 179.412 176.094 0.157 0.000 1.049 427 V CA 2.194 64.585 62.300 0.151 0.000 1.024 427 V CB -0.973 30.919 31.823 0.115 0.000 0.648 427 V HN 0.822 nan 8.190 nan 0.000 0.447 428 S N -0.324 115.476 115.700 0.166 0.000 2.399 428 S HA -0.242 4.234 4.470 0.009 0.000 0.231 428 S C 1.968 176.691 174.600 0.204 0.000 1.022 428 S CA 1.666 59.964 58.200 0.164 0.000 0.983 428 S CB -0.764 62.537 63.200 0.167 0.000 0.803 428 S HN 0.516 nan 8.310 nan 0.000 0.480 429 F N 2.121 122.133 119.950 0.103 0.000 2.186 429 F HA 0.077 4.609 4.527 0.008 0.000 0.299 429 F C 2.286 178.175 175.800 0.148 0.000 1.090 429 F CA 1.202 59.278 58.000 0.127 0.000 1.307 429 F CB -0.331 38.721 39.000 0.085 0.000 1.019 429 F HN 0.100 nan 8.300 nan 0.000 0.489 430 M N 0.142 119.829 119.600 0.146 0.000 2.108 430 M HA -0.197 4.289 4.480 0.009 0.000 0.261 430 M C 2.214 178.495 176.300 -0.033 0.000 1.066 430 M CA 1.572 56.902 55.300 0.050 0.000 1.107 430 M CB -1.266 31.405 32.600 0.118 0.000 1.356 430 M HN 0.070 nan 8.290 nan 0.000 0.406 431 K N -0.261 120.148 120.400 0.015 0.000 2.057 431 K HA -0.210 4.116 4.320 0.009 0.000 0.207 431 K C 1.998 178.574 176.600 -0.040 0.000 1.049 431 K CA 1.860 58.150 56.287 0.005 0.000 0.931 431 K CB -0.683 31.845 32.500 0.046 0.000 0.714 431 K HN 0.403 nan 8.250 nan 0.000 0.440 432 H N -0.005 118.976 119.070 -0.149 0.000 2.352 432 H HA -0.019 4.542 4.556 0.009 0.000 0.299 432 H C 1.728 176.879 175.328 -0.294 0.000 1.097 432 H CA 2.173 58.099 56.048 -0.204 0.000 1.311 432 H CB -0.193 29.415 29.762 -0.258 0.000 1.377 432 H HN 0.184 nan 8.280 nan 0.000 0.504 433 L N 0.084 121.001 121.223 -0.510 0.000 2.079 433 L HA -0.189 4.156 4.340 0.009 0.000 0.210 433 L C 2.008 178.706 176.870 -0.287 0.000 1.081 433 L CA 1.468 56.034 54.840 -0.458 0.000 0.752 433 L CB -0.368 41.497 42.059 -0.324 0.000 0.896 433 L HN 0.393 nan 8.230 nan 0.000 0.433 434 D N -0.150 120.134 120.400 -0.193 0.000 2.117 434 D HA -0.158 4.487 4.640 0.009 0.000 0.197 434 D C 1.906 178.127 176.300 -0.132 0.000 0.987 434 D CA 1.060 54.986 54.000 -0.122 0.000 0.829 434 D CB -0.426 40.332 40.800 -0.070 0.000 0.961 434 D HN 0.298 nan 8.370 nan 0.000 0.460 435 N N 1.052 119.657 118.700 -0.159 0.000 2.120 435 N HA -0.126 4.620 4.740 0.009 0.000 0.188 435 N C 1.616 177.030 175.510 -0.161 0.000 1.024 435 N CA 0.797 53.772 53.050 -0.125 0.000 0.852 435 N CB -0.214 38.225 38.487 -0.080 0.000 1.003 435 N HN 0.269 nan 8.380 nan 0.000 0.424 436 E N 0.619 120.642 120.200 -0.294 0.000 2.152 436 E HA -0.142 4.214 4.350 0.009 0.000 0.192 436 E C 1.881 178.380 176.600 -0.168 0.000 0.983 436 E CA 0.500 56.738 56.400 -0.270 0.000 0.818 436 E CB -0.127 29.319 29.700 -0.423 0.000 0.758 436 E HN 0.326 nan 8.360 nan 0.000 0.467 437 Q N 1.917 121.625 119.800 -0.153 0.000 2.061 437 Q HA -0.182 4.163 4.340 0.009 0.000 0.204 437 Q C 1.989 177.941 176.000 -0.079 0.000 0.984 437 Q CA 2.253 57.998 55.803 -0.097 0.000 0.846 437 Q CB -0.129 28.561 28.738 -0.080 0.000 0.902 437 Q HN 0.345 nan 8.270 nan 0.000 0.421 438 K N -1.318 119.037 120.400 -0.076 0.000 2.103 438 K HA 0.084 4.409 4.320 0.009 0.000 0.204 438 K C 1.990 178.558 176.600 -0.053 0.000 1.052 438 K CA 1.179 57.432 56.287 -0.057 0.000 0.945 438 K CB -0.340 32.133 32.500 -0.045 0.000 0.722 438 K HN 0.140 nan 8.250 nan 0.000 0.443 439 A N 1.755 124.540 122.820 -0.058 0.000 1.968 439 A HA 0.011 4.336 4.320 0.009 0.000 0.217 439 A C 1.805 179.359 177.584 -0.051 0.000 1.169 439 A CA 0.794 52.806 52.037 -0.041 0.000 0.638 439 A CB -0.073 18.915 19.000 -0.022 0.000 0.812 439 A HN 0.328 nan 8.150 nan 0.000 0.446 440 R N -2.712 117.745 120.500 -0.072 0.000 2.541 440 R HA 0.252 4.597 4.340 0.009 0.000 0.332 440 R C 0.825 177.083 176.300 -0.069 0.000 0.951 440 R CA 0.504 56.565 56.100 -0.066 0.000 1.136 440 R CB 0.658 30.914 30.300 -0.073 0.000 1.449 440 R HN 0.678 nan 8.270 nan 0.000 0.531 441 G N 1.014 109.767 108.800 -0.078 0.000 2.147 441 G HA2 -0.178 3.787 3.960 0.009 0.000 0.244 441 G HA3 -0.178 3.787 3.960 0.009 0.000 0.244 441 G C 0.231 175.094 174.900 -0.061 0.000 1.005 441 G CA 0.119 45.166 45.100 -0.089 0.000 0.713 441 G HN 0.739 nan 8.290 nan 0.000 0.515 442 G N -2.433 106.344 108.800 -0.038 0.000 2.356 442 G HA2 0.531 4.496 3.960 0.009 0.000 0.300 442 G HA3 0.531 4.496 3.960 0.009 0.000 0.300 442 G C -0.793 174.116 174.900 0.015 0.000 1.331 442 G CA 0.394 45.506 45.100 0.020 0.000 0.905 442 G HN 1.961 nan 8.290 nan 0.000 0.587 443 C N 2.008 121.342 119.300 0.057 0.000 2.705 443 C HA 0.729 5.194 4.460 0.009 0.000 0.369 443 C C -2.538 172.418 174.990 -0.056 0.000 1.069 443 C CA -1.188 57.816 59.018 -0.023 0.000 1.260 443 C CB 1.332 29.002 27.740 -0.116 0.000 1.764 443 C HN 0.716 nan 8.230 nan 0.000 0.469 444 P HA 0.405 nan 4.420 nan 0.000 0.271 444 P C -0.665 176.512 177.300 -0.206 0.000 1.226 444 P CA 0.563 63.261 63.100 -0.670 0.000 0.765 444 P CB 1.072 32.111 31.700 -1.103 0.000 0.835 445 A N 2.796 125.568 122.820 -0.078 0.000 2.455 445 A HA 0.415 4.741 4.320 0.009 0.000 0.300 445 A C -1.008 176.624 177.584 0.079 0.000 1.040 445 A CA -0.570 51.511 52.037 0.074 0.000 0.697 445 A CB 1.318 20.479 19.000 0.268 0.000 1.265 445 A HN 0.437 nan 8.150 nan 0.000 0.407 446 D N 1.945 122.384 120.400 0.065 0.000 2.443 446 D HA 0.139 4.785 4.640 0.009 0.000 0.221 446 D C 0.794 177.233 176.300 0.232 0.000 1.097 446 D CA -0.436 53.643 54.000 0.131 0.000 0.865 446 D CB 0.402 41.220 40.800 0.030 0.000 1.034 446 D HN 0.602 nan 8.370 nan 0.000 0.511 447 W N 4.240 125.582 121.300 0.071 0.000 2.302 447 W HA -0.305 4.361 4.660 0.009 0.000 0.320 447 W C 1.995 178.545 176.519 0.052 0.000 1.241 447 W CA 2.432 59.800 57.345 0.038 0.000 1.264 447 W CB -0.068 29.389 29.460 -0.005 0.000 1.154 447 W HN 0.563 nan 8.180 nan 0.000 0.483 448 A N -1.536 121.549 122.820 0.443 0.000 2.131 448 A HA -0.185 4.140 4.320 0.009 0.000 0.220 448 A C 1.273 178.867 177.584 0.017 0.000 1.158 448 A CA 1.589 53.775 52.037 0.248 0.000 0.665 448 A CB -1.118 18.064 19.000 0.303 0.000 0.795 448 A HN 0.564 nan 8.150 nan 0.000 0.460 449 W N -1.634 119.620 121.300 -0.078 0.000 2.915 449 W HA 0.284 4.949 4.660 0.009 0.000 0.276 449 W C 1.675 178.064 176.519 -0.216 0.000 1.215 449 W CA -0.354 56.924 57.345 -0.113 0.000 1.514 449 W CB 0.126 29.550 29.460 -0.059 0.000 1.017 449 W HN 0.099 nan 8.180 nan 0.000 0.598 450 I N -0.069 120.439 120.570 -0.103 0.000 2.333 450 I HA -0.044 4.131 4.170 0.009 0.000 0.246 450 I C 0.786 176.686 176.117 -0.361 0.000 1.106 450 I CA 0.766 61.873 61.300 -0.322 0.000 1.411 450 I CB -1.368 36.373 38.000 -0.431 0.000 1.082 450 I HN -0.428 nan 8.210 nan 0.000 0.420 451 V N 3.795 123.407 119.914 -0.504 0.000 2.585 451 V HA 0.045 4.170 4.120 0.009 0.000 0.296 451 V C -1.922 173.984 176.094 -0.313 0.000 1.035 451 V CA -0.875 61.129 62.300 -0.493 0.000 1.084 451 V CB 0.004 31.329 31.823 -0.830 0.000 0.953 451 V HN 0.137 nan 8.190 nan 0.000 0.483 452 P HA 0.156 nan 4.420 nan 0.000 0.272 452 P C -1.831 175.330 177.300 -0.233 0.000 1.223 452 P CA -1.215 61.756 63.100 -0.216 0.000 0.784 452 P CB 0.070 31.649 31.700 -0.201 0.000 0.923 453 P HA -0.010 nan 4.420 nan 0.000 0.234 453 P C 0.108 177.284 177.300 -0.208 0.000 1.167 453 P CA 1.125 64.093 63.100 -0.219 0.000 0.763 453 P CB -0.040 31.530 31.700 -0.218 0.000 0.835 454 I N -7.202 113.209 120.570 -0.264 0.000 2.994 454 I HA 0.453 4.629 4.170 0.009 0.000 0.306 454 I C -0.097 175.886 176.117 -0.224 0.000 1.195 454 I CA -1.242 59.916 61.300 -0.237 0.000 1.001 454 I CB 1.941 39.778 38.000 -0.273 0.000 1.244 454 I HN -0.415 nan 8.210 nan 0.000 0.437 455 S N 1.948 117.577 115.700 -0.119 0.000 3.533 455 S HA -0.204 4.272 4.470 0.009 0.000 0.347 455 S C 1.386 175.959 174.600 -0.045 0.000 1.101 455 S CA 0.881 59.059 58.200 -0.037 0.000 1.009 455 S CB -1.809 61.437 63.200 0.077 0.000 0.916 455 S HN 1.342 nan 8.310 nan 0.000 0.496 456 G N 2.418 111.169 108.800 -0.081 0.000 2.766 456 G HA2 -0.372 3.593 3.960 0.009 0.000 0.222 456 G HA3 -0.372 3.593 3.960 0.009 0.000 0.222 456 G C 1.381 176.201 174.900 -0.132 0.000 1.225 456 G CA 1.698 46.769 45.100 -0.048 0.000 0.784 456 G HN 1.391 nan 8.290 nan 0.000 0.631 457 S N 0.328 115.701 115.700 -0.546 0.000 2.603 457 S HA 0.226 4.702 4.470 0.009 0.000 0.229 457 S C 1.936 176.455 174.600 -0.135 0.000 0.972 457 S CA 0.515 58.197 58.200 -0.864 0.000 0.935 457 S CB -0.098 62.348 63.200 -1.256 0.000 0.769 457 S HN 0.341 nan 8.310 nan 0.000 0.536 458 L N 1.756 122.968 121.223 -0.019 0.000 2.558 458 L HA 0.151 4.496 4.340 0.009 0.000 0.225 458 L C 1.279 178.269 176.870 0.200 0.000 1.128 458 L CA 0.413 55.321 54.840 0.114 0.000 0.868 458 L CB -0.665 41.486 42.059 0.154 0.000 1.006 458 L HN 0.474 nan 8.230 nan 0.000 0.454 459 T N -4.135 110.527 114.554 0.181 0.000 2.929 459 T HA 0.306 4.661 4.350 0.009 0.000 0.284 459 T C -1.633 173.228 174.700 0.268 0.000 1.014 459 T CA -1.957 60.270 62.100 0.211 0.000 1.051 459 T CB 1.870 70.817 68.868 0.131 0.000 1.028 459 T HN -0.191 nan 8.240 nan 0.000 0.485 460 P HA -0.081 nan 4.420 nan 0.000 0.220 460 P C 1.772 179.268 177.300 0.327 0.000 1.148 460 P CA 1.050 64.337 63.100 0.313 0.000 0.803 460 P CB -0.331 31.504 31.700 0.225 0.000 0.782 461 V N -3.780 116.277 119.914 0.239 0.000 2.626 461 V HA -0.173 3.953 4.120 0.009 0.000 0.252 461 V C 2.394 178.593 176.094 0.174 0.000 1.067 461 V CA 1.062 63.481 62.300 0.199 0.000 1.081 461 V CB -2.227 29.644 31.823 0.079 0.000 0.686 461 V HN -0.107 nan 8.190 nan 0.000 0.468 462 F N 1.849 121.780 119.950 -0.032 0.000 2.161 462 F HA -0.184 4.349 4.527 0.009 0.000 0.300 462 F C 2.428 178.339 175.800 0.185 0.000 1.089 462 F CA 2.220 60.204 58.000 -0.026 0.000 1.282 462 F CB -0.240 38.604 39.000 -0.260 0.000 1.010 462 F HN 0.276 nan 8.300 nan 0.000 0.485 463 H N -0.741 118.689 119.070 0.600 0.000 2.533 463 H HA 0.104 4.665 4.556 0.009 0.000 0.271 463 H C 0.155 175.738 175.328 0.425 0.000 1.000 463 H CA 0.239 56.589 56.048 0.503 0.000 1.149 463 H CB -0.260 29.771 29.762 0.448 0.000 1.375 463 H HN 0.276 nan 8.280 nan 0.000 0.582 464 Q N 1.973 122.049 119.800 0.459 0.000 2.347 464 Q HA 0.169 4.514 4.340 0.009 0.000 0.262 464 Q C -0.553 175.667 176.000 0.367 0.000 0.980 464 Q CA -0.493 55.530 55.803 0.367 0.000 0.867 464 Q CB 0.832 29.757 28.738 0.313 0.000 1.242 464 Q HN 0.238 nan 8.270 nan 0.000 0.453 465 E N 3.340 123.697 120.200 0.262 0.000 2.408 465 E HA 0.261 4.616 4.350 0.009 0.000 0.259 465 E C -0.406 176.312 176.600 0.196 0.000 1.110 465 E CA 0.321 56.821 56.400 0.167 0.000 0.929 465 E CB 0.780 30.562 29.700 0.136 0.000 0.971 465 E HN 0.603 nan 8.360 nan 0.000 0.438 466 M N 0.927 120.635 119.600 0.180 0.000 2.531 466 M HA 0.368 4.854 4.480 0.009 0.000 0.286 466 M C -1.259 175.138 176.300 0.162 0.000 1.232 466 M CA -0.963 54.461 55.300 0.207 0.000 0.877 466 M CB 2.431 35.213 32.600 0.304 0.000 1.726 466 M HN 0.150 nan 8.290 nan 0.000 0.463 467 V N 1.426 121.449 119.914 0.181 0.000 2.459 467 V HA 0.424 4.549 4.120 0.009 0.000 0.295 467 V C -0.673 175.537 176.094 0.193 0.000 1.029 467 V CA -0.687 61.750 62.300 0.229 0.000 0.874 467 V CB 1.731 33.752 31.823 0.329 0.000 0.985 467 V HN 0.865 nan 8.190 nan 0.000 0.438 468 N N 3.352 122.163 118.700 0.186 0.000 2.392 468 N HA 0.701 5.446 4.740 0.009 0.000 0.283 468 N C -1.702 173.911 175.510 0.172 0.000 1.003 468 N CA -0.430 52.650 53.050 0.051 0.000 0.892 468 N CB 1.611 40.133 38.487 0.059 0.000 1.193 468 N HN 0.739 nan 8.380 nan 0.000 0.487 469 Y N 0.842 121.162 120.300 0.034 0.000 2.677 469 Y HA 0.493 5.048 4.550 0.009 0.000 0.334 469 Y C -1.399 174.507 175.900 0.010 0.000 1.196 469 Y CA -1.194 56.921 58.100 0.024 0.000 1.059 469 Y CB 0.678 39.157 38.460 0.031 0.000 1.315 469 Y HN 0.163 nan 8.280 nan 0.000 0.455 470 I N 3.437 124.109 120.570 0.170 0.000 2.353 470 I HA 0.479 4.654 4.170 0.009 0.000 0.293 470 I C -0.730 175.461 176.117 0.123 0.000 0.992 470 I CA -0.607 60.738 61.300 0.075 0.000 1.268 470 I CB 1.236 39.264 38.000 0.047 0.000 1.387 470 I HN 0.449 nan 8.210 nan 0.000 0.478 471 L N 5.035 126.295 121.223 0.062 0.000 2.381 471 L HA 0.531 4.877 4.340 0.009 0.000 0.268 471 L C -0.257 176.618 176.870 0.008 0.000 0.997 471 L CA -0.471 54.410 54.840 0.068 0.000 0.818 471 L CB 2.184 44.290 42.059 0.079 0.000 1.310 471 L HN 0.545 nan 8.230 nan 0.000 0.416 472 S N 2.097 117.809 115.700 0.021 0.000 2.532 472 S HA 0.671 5.146 4.470 0.009 0.000 0.301 472 S C -2.555 172.061 174.600 0.028 0.000 1.083 472 S CA -1.451 56.745 58.200 -0.006 0.000 1.025 472 S CB 1.832 65.038 63.200 0.010 0.000 1.056 472 S HN 0.255 nan 8.310 nan 0.000 0.494 473 P HA 0.319 nan 4.420 nan 0.000 0.269 473 P C -1.238 175.947 177.300 -0.192 0.000 1.205 473 P CA 0.189 63.204 63.100 -0.142 0.000 0.780 473 P CB 0.370 31.943 31.700 -0.213 0.000 0.858 474 A N 1.158 123.817 122.820 -0.269 0.000 2.601 474 A HA 0.657 4.982 4.320 0.009 0.000 0.291 474 A C -1.709 175.658 177.584 -0.362 0.000 1.075 474 A CA -0.524 51.357 52.037 -0.260 0.000 0.671 474 A CB 0.689 19.619 19.000 -0.117 0.000 1.277 474 A HN 0.313 nan 8.150 nan 0.000 0.417 475 F N 1.030 120.904 119.950 -0.127 0.000 2.415 475 F HA 0.668 5.200 4.527 0.008 0.000 0.348 475 F C 0.975 176.676 175.800 -0.165 0.000 1.119 475 F CA 0.040 57.964 58.000 -0.127 0.000 1.069 475 F CB 1.797 40.690 39.000 -0.178 0.000 1.124 475 F HN 0.529 nan 8.300 nan 0.000 0.472 476 R N 1.786 122.313 120.500 0.044 0.000 2.854 476 R HA 0.460 4.805 4.340 0.009 0.000 0.271 476 R C -1.486 174.800 176.300 -0.024 0.000 0.994 476 R CA -1.239 54.836 56.100 -0.042 0.000 0.945 476 R CB 1.768 32.069 30.300 0.002 0.000 1.194 476 R HN 0.425 nan 8.270 nan 0.000 0.476 477 Y N 1.423 121.739 120.300 0.027 0.000 2.314 477 Y HA 0.120 4.676 4.550 0.009 0.000 0.334 477 Y C 0.593 176.487 175.900 -0.011 0.000 1.266 477 Y CA 0.085 58.190 58.100 0.008 0.000 1.391 477 Y CB 0.910 39.364 38.460 -0.011 0.000 1.306 477 Y HN 0.436 nan 8.280 nan 0.000 0.558 478 Q N 1.560 121.450 119.800 0.150 0.000 2.416 478 Q HA 0.613 4.959 4.340 0.009 0.000 0.281 478 Q C -3.149 172.813 176.000 -0.064 0.000 1.067 478 Q CA -2.523 53.296 55.803 0.028 0.000 0.809 478 Q CB 2.228 30.973 28.738 0.012 0.000 1.418 478 Q HN 0.263 nan 8.270 nan 0.000 0.411 479 P HA 0.031 nan 4.420 nan 0.000 0.269 479 P C -0.892 176.197 177.300 -0.352 0.000 1.209 479 P CA 0.086 63.061 63.100 -0.209 0.000 0.776 479 P CB 0.420 32.015 31.700 -0.175 0.000 0.876 480 D N 4.051 124.116 120.400 -0.559 0.000 2.443 480 D HA -0.019 4.626 4.640 0.009 0.000 0.239 480 D C -0.956 174.764 176.300 -0.967 0.000 1.136 480 D CA -0.779 52.619 54.000 -1.003 0.000 0.879 480 D CB 0.341 40.091 40.800 -1.751 0.000 1.195 480 D HN 0.309 nan 8.370 nan 0.000 0.443 481 P HA -0.112 nan 4.420 nan 0.000 0.221 481 P C 0.371 177.333 177.300 -0.564 0.000 1.145 481 P CA 0.997 63.692 63.100 -0.675 0.000 0.795 481 P CB 0.115 31.382 31.700 -0.722 0.000 0.775 482 W N 0.000 120.901 121.300 -0.665 0.000 2.388 482 W HA 0.000 4.665 4.660 0.008 0.000 0.303 482 W CA 0.000 57.115 57.345 -0.384 0.000 1.226 482 W CB 0.000 29.210 29.460 -0.417 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535