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 3n5r_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRXXXXXXX DATA SEQUENCE XXXPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.966 3.960 0.009 0.000 0.244 67 G C 0.000 174.780 174.900 -0.199 0.000 0.946 67 G CA 0.000 45.022 45.100 -0.129 0.000 0.502 68 P HA 0.419 nan 4.420 nan 0.000 0.276 68 P C -0.689 176.542 177.300 -0.115 0.000 1.261 68 P CA -0.342 62.646 63.100 -0.186 0.000 0.800 68 P CB 1.405 33.050 31.700 -0.091 0.000 1.066 69 K N 0.310 120.569 120.400 -0.234 0.000 3.173 69 K HA 0.273 4.599 4.320 0.009 0.000 0.255 69 K C -0.824 175.464 176.600 -0.520 0.000 1.235 69 K CA -0.207 55.889 56.287 -0.318 0.000 1.250 69 K CB -0.666 31.640 32.500 -0.322 0.000 1.382 69 K HN 0.288 nan 8.250 nan 0.000 0.421 70 F N -0.150 119.814 119.950 0.022 0.000 2.579 70 F HA 0.398 4.930 4.527 0.010 0.000 0.324 70 F C -1.996 173.897 175.800 0.156 0.000 1.058 70 F CA -2.969 55.067 58.000 0.059 0.000 0.944 70 F CB 1.060 40.096 39.000 0.059 0.000 1.245 70 F HN 0.017 nan 8.300 nan 0.000 0.477 71 P HA 0.017 nan 4.420 nan 0.000 0.263 71 P C -0.751 176.667 177.300 0.197 0.000 1.195 71 P CA -0.055 63.164 63.100 0.200 0.000 0.762 71 P CB 0.379 32.163 31.700 0.139 0.000 0.799 72 R N 3.134 123.688 120.500 0.090 0.000 2.340 72 R HA 0.382 4.727 4.340 0.009 0.000 0.300 72 R C -1.290 174.901 176.300 -0.182 0.000 1.069 72 R CA -0.383 55.550 56.100 -0.278 0.000 0.984 72 R CB 0.483 30.615 30.300 -0.280 0.000 1.003 72 R HN 0.221 nan 8.270 nan 0.000 0.459 73 V N 5.106 124.868 119.914 -0.254 0.000 2.443 73 V HA 0.298 4.423 4.120 0.009 0.000 0.293 73 V C -0.454 175.553 176.094 -0.145 0.000 1.021 73 V CA -0.782 61.452 62.300 -0.111 0.000 0.848 73 V CB 1.448 33.245 31.823 -0.044 0.000 0.998 73 V HN 0.753 nan 8.190 nan 0.000 0.424 74 K N 4.011 124.343 120.400 -0.114 0.000 2.182 74 K HA 0.403 4.729 4.320 0.009 0.000 0.262 74 K C -0.215 176.313 176.600 -0.120 0.000 0.957 74 K CA -0.581 55.562 56.287 -0.238 0.000 0.842 74 K CB 1.126 33.314 32.500 -0.520 0.000 1.099 74 K HN 0.725 nan 8.250 nan 0.000 0.438 75 N N 4.257 122.884 118.700 -0.120 0.000 2.426 75 N HA 0.060 4.806 4.740 0.009 0.000 0.257 75 N C -0.285 175.216 175.510 -0.016 0.000 1.002 75 N CA -0.253 52.824 53.050 0.045 0.000 0.942 75 N CB 0.496 39.023 38.487 0.067 0.000 1.112 75 N HN 0.679 nan 8.380 nan 0.000 0.499 76 W N 2.306 123.686 121.300 0.133 0.000 2.770 76 W HA 0.139 4.804 4.660 0.009 0.000 0.256 76 W C 2.095 178.659 176.519 0.076 0.000 1.291 76 W CA -0.126 57.286 57.345 0.112 0.000 1.396 76 W CB 0.215 29.765 29.460 0.149 0.000 1.114 76 W HN 0.672 nan 8.180 nan 0.000 0.637 77 E N 0.619 120.961 120.200 0.237 0.000 2.046 77 E HA -0.159 4.197 4.350 0.009 0.000 0.190 77 E C 1.608 178.235 176.600 0.046 0.000 0.982 77 E CA 1.282 57.714 56.400 0.054 0.000 0.800 77 E CB -0.222 29.462 29.700 -0.027 0.000 0.756 77 E HN 0.257 nan 8.360 nan 0.000 0.449 78 L N -1.271 119.976 121.223 0.041 0.000 2.590 78 L HA 0.360 4.706 4.340 0.009 0.000 0.227 78 L C 1.498 178.350 176.870 -0.029 0.000 1.099 78 L CA 0.348 55.192 54.840 0.007 0.000 0.872 78 L CB 0.815 42.881 42.059 0.011 0.000 1.088 78 L HN 0.388 nan 8.230 nan 0.000 0.479 79 G N 0.414 109.171 108.800 -0.072 0.000 2.184 79 G HA2 -0.314 3.651 3.960 0.009 0.000 0.264 79 G HA3 -0.314 3.651 3.960 0.009 0.000 0.264 79 G C 0.395 175.202 174.900 -0.155 0.000 0.975 79 G CA 0.425 45.440 45.100 -0.142 0.000 0.642 79 G HN 0.455 nan 8.290 nan 0.000 0.536 80 S N 0.066 115.695 115.700 -0.119 0.000 2.617 80 S HA 0.799 5.274 4.470 0.009 0.000 0.269 80 S C 0.024 174.531 174.600 -0.154 0.000 1.292 80 S CA -0.628 57.507 58.200 -0.109 0.000 1.010 80 S CB 2.067 65.228 63.200 -0.064 0.000 0.944 80 S HN 0.513 nan 8.310 nan 0.000 0.536 81 I N 1.927 122.407 120.570 -0.149 0.000 2.582 81 I HA 0.539 4.714 4.170 0.009 0.000 0.292 81 I C 0.118 176.121 176.117 -0.189 0.000 1.066 81 I CA -0.298 60.875 61.300 -0.212 0.000 1.053 81 I CB 1.591 39.454 38.000 -0.228 0.000 1.241 81 I HN 1.043 nan 8.210 nan 0.000 0.421 82 T N 1.694 116.099 114.554 -0.247 0.000 2.883 82 T HA 0.716 5.071 4.350 0.009 0.000 0.296 82 T C -1.173 173.321 174.700 -0.344 0.000 1.117 82 T CA -0.738 61.254 62.100 -0.181 0.000 1.006 82 T CB 1.913 70.733 68.868 -0.079 0.000 1.191 82 T HN 0.241 nan 8.240 nan 0.000 0.508 83 Y N 0.260 120.549 120.300 -0.019 0.000 2.377 83 Y HA 0.480 5.035 4.550 0.009 0.000 0.339 83 Y C 0.240 176.113 175.900 -0.045 0.000 1.011 83 Y CA -0.945 57.155 58.100 0.001 0.000 1.093 83 Y CB 1.476 39.949 38.460 0.022 0.000 1.201 83 Y HN 0.696 nan 8.280 nan 0.000 0.455 84 D N 1.871 122.346 120.400 0.125 0.000 2.339 84 D HA 0.063 4.709 4.640 0.009 0.000 0.241 84 D C 0.686 176.939 176.300 -0.079 0.000 1.183 84 D CA 0.105 54.128 54.000 0.038 0.000 0.859 84 D CB 1.208 42.065 40.800 0.095 0.000 1.067 84 D HN 0.804 nan 8.370 nan 0.000 0.484 85 T N 1.164 115.549 114.554 -0.282 0.000 3.022 85 T HA -0.053 4.303 4.350 0.009 0.000 0.250 85 T C 1.842 176.386 174.700 -0.260 0.000 1.060 85 T CA -0.241 61.503 62.100 -0.593 0.000 1.013 85 T CB 0.079 68.475 68.868 -0.787 0.000 0.982 85 T HN 0.261 nan 8.240 nan 0.000 0.508 86 L N 2.455 123.592 121.223 -0.144 0.000 2.191 86 L HA 0.045 4.391 4.340 0.009 0.000 0.212 86 L C 2.556 179.331 176.870 -0.159 0.000 1.103 86 L CA 1.180 55.979 54.840 -0.068 0.000 0.769 86 L CB -0.943 41.151 42.059 0.058 0.000 0.908 86 L HN 0.661 nan 8.230 nan 0.000 0.438 87 C N -1.752 117.300 119.300 -0.412 0.000 2.437 87 C HA 0.141 4.606 4.460 0.009 0.000 0.283 87 C C 2.764 177.559 174.990 -0.326 0.000 1.424 87 C CA 0.070 58.558 59.018 -0.883 0.000 1.782 87 C CB -2.218 24.872 27.740 -1.084 0.000 1.833 87 C HN 0.573 nan 8.230 nan 0.000 0.532 88 A N 0.058 122.816 122.820 -0.102 0.000 2.121 88 A HA -0.087 4.239 4.320 0.009 0.000 0.218 88 A C 2.244 179.825 177.584 -0.005 0.000 1.154 88 A CA 1.351 53.394 52.037 0.010 0.000 0.679 88 A CB -0.424 18.660 19.000 0.140 0.000 0.795 88 A HN 0.635 nan 8.150 nan 0.000 0.458 89 Q N 0.034 119.822 119.800 -0.020 0.000 2.432 89 Q HA 0.056 4.402 4.340 0.009 0.000 0.205 89 Q C 0.932 176.955 176.000 0.038 0.000 0.945 89 Q CA 0.451 56.266 55.803 0.019 0.000 0.924 89 Q CB -0.428 28.330 28.738 0.033 0.000 1.016 89 Q HN 0.530 nan 8.270 nan 0.000 0.503 90 S N 1.143 116.857 115.700 0.023 0.000 2.525 90 S HA -0.010 4.466 4.470 0.009 0.000 0.285 90 S C 0.753 175.383 174.600 0.051 0.000 1.283 90 S CA 0.038 58.280 58.200 0.071 0.000 1.072 90 S CB 0.398 63.645 63.200 0.078 0.000 0.867 90 S HN 0.100 nan 8.310 nan 0.000 0.492 91 Q N 2.242 122.078 119.800 0.059 0.000 2.179 91 Q HA 0.266 4.612 4.340 0.009 0.000 0.213 91 Q C -0.434 175.590 176.000 0.039 0.000 0.833 91 Q CA 0.003 55.833 55.803 0.045 0.000 0.990 91 Q CB 0.777 29.544 28.738 0.048 0.000 1.132 91 Q HN 0.765 nan 8.270 nan 0.000 0.493 92 Q N 1.003 120.829 119.800 0.044 0.000 2.284 92 Q HA 0.224 4.570 4.340 0.009 0.000 0.269 92 Q C -1.699 174.325 176.000 0.039 0.000 1.026 92 Q CA -0.348 55.476 55.803 0.035 0.000 0.831 92 Q CB 1.335 30.090 28.738 0.029 0.000 1.322 92 Q HN -0.118 nan 8.270 nan 0.000 0.419 93 D N 2.480 122.898 120.400 0.030 0.000 2.350 93 D HA 0.400 5.046 4.640 0.009 0.000 0.249 93 D C 0.385 176.704 176.300 0.031 0.000 1.119 93 D CA 0.323 54.342 54.000 0.032 0.000 0.886 93 D CB 1.268 42.083 40.800 0.024 0.000 1.195 93 D HN 0.678 nan 8.370 nan 0.000 0.437 94 G N 1.196 110.019 108.800 0.039 0.000 2.531 94 G HA2 0.320 4.286 3.960 0.009 0.000 0.253 94 G HA3 0.320 4.286 3.960 0.009 0.000 0.253 94 G C -1.490 173.428 174.900 0.030 0.000 1.439 94 G CA -0.530 44.589 45.100 0.033 0.000 1.056 94 G HN 0.367 nan 8.290 nan 0.000 0.555 95 P HA 0.245 nan 4.420 nan 0.000 0.261 95 P C -0.020 177.299 177.300 0.032 0.000 1.268 95 P CA -0.156 62.963 63.100 0.032 0.000 0.833 95 P CB 0.143 31.864 31.700 0.036 0.000 1.231 96 C N 0.520 119.841 119.300 0.035 0.000 2.382 96 C HA 0.722 5.187 4.460 0.009 0.000 0.363 96 C C 0.857 175.863 174.990 0.026 0.000 1.213 96 C CA 0.055 59.092 59.018 0.032 0.000 2.363 96 C CB 1.322 29.084 27.740 0.037 0.000 2.397 96 C HN 0.366 nan 8.230 nan 0.000 0.573 97 T N -1.687 112.880 114.554 0.021 0.000 2.841 97 T HA 0.434 4.790 4.350 0.009 0.000 0.296 97 T C -2.451 172.257 174.700 0.014 0.000 1.166 97 T CA -1.133 60.976 62.100 0.016 0.000 1.007 97 T CB 1.256 70.132 68.868 0.013 0.000 1.253 97 T HN 0.270 nan 8.240 nan 0.000 0.511 98 P HA -0.023 nan 4.420 nan 0.000 0.220 98 P C 1.335 178.639 177.300 0.007 0.000 1.144 98 P CA 0.899 64.003 63.100 0.007 0.000 0.800 98 P CB 0.091 31.793 31.700 0.004 0.000 0.772 99 R N -0.816 119.689 120.500 0.007 0.000 2.119 99 R HA 0.058 4.404 4.340 0.009 0.000 0.222 99 R C 0.913 177.218 176.300 0.007 0.000 1.088 99 R CA 0.745 56.849 56.100 0.006 0.000 0.984 99 R CB -0.126 30.177 30.300 0.006 0.000 0.884 99 R HN 0.221 nan 8.270 nan 0.000 0.447 100 R N 0.080 120.586 120.500 0.010 0.000 2.629 100 R HA 0.157 4.503 4.340 0.009 0.000 0.266 100 R C -1.666 174.643 176.300 0.016 0.000 1.051 100 R CA -0.803 55.304 56.100 0.011 0.000 0.895 100 R CB 0.337 30.644 30.300 0.012 0.000 1.246 100 R HN 0.033 nan 8.270 nan 0.000 0.459 101 C N 3.800 123.109 119.300 0.015 0.000 2.307 101 C HA 0.554 5.020 4.460 0.009 0.000 0.340 101 C C 0.212 175.220 174.990 0.030 0.000 1.275 101 C CA -0.611 58.420 59.018 0.022 0.000 1.811 101 C CB -0.558 27.191 27.740 0.015 0.000 2.372 101 C HN 0.650 nan 8.230 nan 0.000 0.531 102 L N 6.221 127.467 121.223 0.038 0.000 3.017 102 L HA 0.342 4.687 4.340 0.009 0.000 0.255 102 L C 1.992 178.900 176.870 0.064 0.000 1.247 102 L CA 0.656 55.525 54.840 0.048 0.000 1.038 102 L CB -0.217 41.868 42.059 0.044 0.000 1.380 102 L HN 1.052 nan 8.230 nan 0.000 0.548 103 G N -0.701 108.139 108.800 0.066 0.000 2.498 103 G HA2 -0.207 3.758 3.960 0.009 0.000 0.219 103 G HA3 -0.207 3.758 3.960 0.009 0.000 0.219 103 G C 1.364 176.341 174.900 0.128 0.000 1.119 103 G CA 1.072 46.224 45.100 0.087 0.000 0.766 103 G HN 0.513 nan 8.290 nan 0.000 0.552 104 S N -0.481 115.294 115.700 0.125 0.000 2.540 104 S HA 0.386 4.861 4.470 0.009 0.000 0.218 104 S C 0.669 175.373 174.600 0.174 0.000 0.977 104 S CA -0.622 57.678 58.200 0.165 0.000 0.918 104 S CB -0.047 63.229 63.200 0.127 0.000 0.806 104 S HN 0.101 nan 8.310 nan 0.000 0.496 105 L N 2.007 123.316 121.223 0.144 0.000 2.331 105 L HA 0.310 4.655 4.340 0.009 0.000 0.278 105 L C 1.466 178.452 176.870 0.193 0.000 1.106 105 L CA -0.583 54.342 54.840 0.141 0.000 0.824 105 L CB 1.137 43.256 42.059 0.099 0.000 1.142 105 L HN 0.016 nan 8.230 nan 0.000 0.443 106 V N 3.894 123.946 119.914 0.229 0.000 2.244 106 V HA -0.175 3.950 4.120 0.009 0.000 0.244 106 V C 0.571 176.829 176.094 0.274 0.000 1.042 106 V CA 1.415 63.906 62.300 0.319 0.000 1.006 106 V CB -0.339 31.674 31.823 0.317 0.000 0.641 106 V HN 0.674 nan 8.190 nan 0.000 0.446 107 L N -0.345 120.999 121.223 0.202 0.000 2.333 107 L HA 0.860 5.205 4.340 0.009 0.000 0.280 107 L C -2.848 174.102 176.870 0.133 0.000 1.004 107 L CA -1.482 53.490 54.840 0.220 0.000 0.820 107 L CB 0.868 43.032 42.059 0.175 0.000 1.247 107 L HN -0.005 nan 8.230 nan 0.000 0.416 108 P HA 0.638 nan 4.420 nan 0.000 0.303 108 P C -0.979 176.357 177.300 0.060 0.000 1.354 108 P CA -1.035 62.109 63.100 0.072 0.000 1.092 108 P CB 1.739 33.474 31.700 0.058 0.000 1.517 121 P HA 0.666 nan 4.420 nan 0.000 0.292 121 P C 0.449 177.754 177.300 0.008 0.000 1.308 121 P CA -0.719 62.384 63.100 0.005 0.000 0.933 121 P CB 1.428 33.130 31.700 0.004 0.000 1.217 122 A N 1.315 124.139 122.820 0.007 0.000 1.870 122 A HA -0.298 4.027 4.320 0.009 0.000 0.219 122 A C 1.944 179.530 177.584 0.004 0.000 1.224 122 A CA 2.391 54.431 52.037 0.005 0.000 0.650 122 A CB -1.387 17.614 19.000 0.002 0.000 0.836 122 A HN 0.726 nan 8.150 nan 0.000 0.454 123 E N -1.145 119.057 120.200 0.003 0.000 2.048 123 E HA -0.300 4.056 4.350 0.009 0.000 0.202 123 E C 2.268 178.873 176.600 0.007 0.000 1.021 123 E CA 1.973 58.374 56.400 0.002 0.000 0.825 123 E CB -0.273 29.429 29.700 0.003 0.000 0.756 123 E HN 0.715 nan 8.360 nan 0.000 0.454 124 Q N 0.536 120.342 119.800 0.010 0.000 2.096 124 Q HA -0.124 4.222 4.340 0.009 0.000 0.204 124 Q C 2.034 178.048 176.000 0.023 0.000 0.982 124 Q CA 1.422 57.234 55.803 0.015 0.000 0.850 124 Q CB -0.293 28.453 28.738 0.013 0.000 0.901 124 Q HN 0.429 nan 8.270 nan 0.000 0.422 125 L N -0.847 120.391 121.223 0.025 0.000 2.072 125 L HA -0.090 4.255 4.340 0.009 0.000 0.205 125 L C 1.925 178.818 176.870 0.038 0.000 1.079 125 L CA 0.675 55.541 54.840 0.043 0.000 0.752 125 L CB -0.225 41.864 42.059 0.050 0.000 0.906 125 L HN 0.347 nan 8.230 nan 0.000 0.436 126 L N -0.242 120.985 121.223 0.008 0.000 2.027 126 L HA -0.186 4.159 4.340 0.009 0.000 0.206 126 L C 2.901 179.765 176.870 -0.010 0.000 1.074 126 L CA 2.204 57.029 54.840 -0.026 0.000 0.745 126 L CB -0.733 41.308 42.059 -0.032 0.000 0.898 126 L HN 0.506 nan 8.230 nan 0.000 0.433 127 S N -1.993 113.714 115.700 0.011 0.000 2.423 127 S HA -0.213 4.262 4.470 0.009 0.000 0.231 127 S C 1.865 176.497 174.600 0.053 0.000 1.014 127 S CA 0.969 59.184 58.200 0.025 0.000 0.965 127 S CB -0.455 62.758 63.200 0.023 0.000 0.785 127 S HN 0.589 nan 8.310 nan 0.000 0.495 128 Q N 0.871 120.709 119.800 0.064 0.000 2.083 128 Q HA 0.111 4.456 4.340 0.009 0.000 0.198 128 Q C 2.643 178.735 176.000 0.153 0.000 0.969 128 Q CA 1.215 57.077 55.803 0.099 0.000 0.838 128 Q CB -0.481 28.308 28.738 0.085 0.000 0.900 128 Q HN 0.757 nan 8.270 nan 0.000 0.436 129 A N 1.368 124.261 122.820 0.122 0.000 1.883 129 A HA -0.225 4.101 4.320 0.009 0.000 0.217 129 A C 2.000 179.664 177.584 0.133 0.000 1.186 129 A CA 1.376 53.485 52.037 0.119 0.000 0.624 129 A CB -0.485 18.399 19.000 -0.193 0.000 0.822 129 A HN 0.219 nan 8.150 nan 0.000 0.444 130 R N -0.661 119.875 120.500 0.059 0.000 2.096 130 R HA -0.215 4.130 4.340 0.009 0.000 0.240 130 R C 2.079 178.459 176.300 0.133 0.000 1.139 130 R CA 1.857 57.999 56.100 0.070 0.000 0.952 130 R CB -0.606 29.712 30.300 0.029 0.000 0.854 130 R HN 0.706 nan 8.270 nan 0.000 0.436 131 D N 0.019 120.504 120.400 0.141 0.000 2.092 131 D HA -0.223 4.423 4.640 0.009 0.000 0.193 131 D C 1.687 178.110 176.300 0.205 0.000 0.994 131 D CA 1.348 55.439 54.000 0.153 0.000 0.828 131 D CB -0.167 40.718 40.800 0.141 0.000 0.963 131 D HN 0.149 nan 8.370 nan 0.000 0.450 132 F N 0.804 120.840 119.950 0.144 0.000 2.095 132 F HA -0.158 4.374 4.527 0.008 0.000 0.298 132 F C 2.062 178.003 175.800 0.237 0.000 1.104 132 F CA 1.275 59.397 58.000 0.202 0.000 1.232 132 F CB -0.272 38.855 39.000 0.210 0.000 0.987 132 F HN 0.005 nan 8.300 nan 0.000 0.475 133 I N 1.063 121.703 120.570 0.118 0.000 2.208 133 I HA -0.339 3.836 4.170 0.009 0.000 0.245 133 I C 1.993 178.175 176.117 0.108 0.000 1.097 133 I CA 1.407 62.770 61.300 0.104 0.000 1.363 133 I CB -1.688 36.471 38.000 0.265 0.000 1.051 133 I HN 0.251 nan 8.210 nan 0.000 0.413 134 N N 1.095 119.877 118.700 0.136 0.000 2.061 134 N HA -0.229 4.517 4.740 0.009 0.000 0.193 134 N C 1.817 177.266 175.510 -0.102 0.000 1.030 134 N CA 1.283 54.368 53.050 0.057 0.000 0.856 134 N CB -0.508 38.053 38.487 0.122 0.000 1.023 134 N HN 0.490 nan 8.380 nan 0.000 0.424 135 Q N -0.876 118.871 119.800 -0.088 0.000 2.096 135 Q HA -0.198 4.148 4.340 0.009 0.000 0.204 135 Q C 1.796 177.571 176.000 -0.376 0.000 0.982 135 Q CA 1.394 57.141 55.803 -0.093 0.000 0.850 135 Q CB -0.247 28.553 28.738 0.103 0.000 0.901 135 Q HN 0.509 nan 8.270 nan 0.000 0.422 136 Y N -0.112 119.725 120.300 -0.773 0.000 2.133 136 Y HA -0.267 4.287 4.550 0.008 0.000 0.287 136 Y C 1.767 177.137 175.900 -0.885 0.000 1.134 136 Y CA 1.518 58.892 58.100 -1.210 0.000 1.133 136 Y CB -0.557 37.267 38.460 -1.060 0.000 0.987 136 Y HN 0.055 nan 8.280 nan 0.000 0.502 137 Y N -0.205 119.699 120.300 -0.660 0.000 2.274 137 Y HA -0.227 4.329 4.550 0.010 0.000 0.290 137 Y C 2.894 178.461 175.900 -0.556 0.000 1.145 137 Y CA 1.788 59.482 58.100 -0.677 0.000 1.203 137 Y CB -0.728 37.233 38.460 -0.831 0.000 0.984 137 Y HN 0.105 nan 8.280 nan 0.000 0.533 138 S N -0.585 114.907 115.700 -0.346 0.000 2.359 138 S HA -0.241 4.234 4.470 0.009 0.000 0.224 138 S C 2.302 176.733 174.600 -0.282 0.000 1.035 138 S CA 1.661 59.716 58.200 -0.241 0.000 1.018 138 S CB -0.618 62.491 63.200 -0.152 0.000 0.876 138 S HN 0.655 nan 8.310 nan 0.000 0.448 139 S N 1.872 117.318 115.700 -0.423 0.000 2.428 139 S HA -0.010 4.466 4.470 0.009 0.000 0.230 139 S C 1.579 175.944 174.600 -0.393 0.000 1.014 139 S CA 0.900 58.889 58.200 -0.353 0.000 0.957 139 S CB -0.731 62.223 63.200 -0.409 0.000 0.784 139 S HN 0.710 nan 8.310 nan 0.000 0.499 140 I N -2.808 117.412 120.570 -0.583 0.000 3.861 140 I HA 0.404 4.579 4.170 0.009 0.000 0.329 140 I C -0.218 175.731 176.117 -0.279 0.000 1.321 140 I CA -0.472 60.553 61.300 -0.459 0.000 1.126 140 I CB -0.148 37.462 38.000 -0.650 0.000 1.018 140 I HN -0.117 nan 8.210 nan 0.000 0.407 141 K N 1.772 122.034 120.400 -0.229 0.000 3.117 141 K HA -0.149 4.177 4.320 0.009 0.000 0.269 141 K C 0.039 176.586 176.600 -0.089 0.000 1.098 141 K CA 0.489 56.697 56.287 -0.133 0.000 0.785 141 K CB -1.656 30.786 32.500 -0.096 0.000 1.242 141 K HN 0.559 nan 8.250 nan 0.000 0.491 142 R N -0.385 120.068 120.500 -0.078 0.000 2.659 142 R HA 0.100 4.446 4.340 0.009 0.000 0.418 142 R C 0.097 176.420 176.300 0.039 0.000 1.076 142 R CA -0.239 55.877 56.100 0.026 0.000 1.093 142 R CB 0.902 31.283 30.300 0.135 0.000 1.400 142 R HN 0.146 nan 8.270 nan 0.000 0.583 143 S N -0.200 115.483 115.700 -0.028 0.000 2.516 143 S HA 0.314 4.789 4.470 0.009 0.000 0.282 143 S C 1.323 176.003 174.600 0.133 0.000 1.286 143 S CA 1.370 59.570 58.200 -0.000 0.000 1.066 143 S CB 0.382 63.557 63.200 -0.042 0.000 0.884 143 S HN 0.729 nan 8.310 nan 0.000 0.491 144 G N 3.224 112.225 108.800 0.335 0.000 2.217 144 G HA2 -0.288 3.678 3.960 0.009 0.000 0.246 144 G HA3 -0.288 3.678 3.960 0.009 0.000 0.246 144 G C 0.359 175.275 174.900 0.026 0.000 0.990 144 G CA 0.435 45.598 45.100 0.104 0.000 0.627 144 G HN 1.562 nan 8.290 nan 0.000 0.522 145 S N -0.460 115.273 115.700 0.055 0.000 2.617 145 S HA 0.429 4.905 4.470 0.009 0.000 0.259 145 S C 1.294 175.866 174.600 -0.046 0.000 1.301 145 S CA 0.853 59.057 58.200 0.006 0.000 0.984 145 S CB 1.321 64.539 63.200 0.030 0.000 0.954 145 S HN 0.465 nan 8.310 nan 0.000 0.572 146 Q N 0.230 120.008 119.800 -0.038 0.000 2.079 146 Q HA -0.065 4.280 4.340 0.009 0.000 0.200 146 Q C 2.318 178.277 176.000 -0.070 0.000 0.974 146 Q CA 1.418 57.189 55.803 -0.053 0.000 0.840 146 Q CB -0.680 28.042 28.738 -0.026 0.000 0.898 146 Q HN 0.932 nan 8.270 nan 0.000 0.430 147 A N -0.304 122.493 122.820 -0.039 0.000 2.015 147 A HA -0.210 4.116 4.320 0.009 0.000 0.219 147 A C 1.790 179.225 177.584 -0.249 0.000 1.163 147 A CA 1.476 53.502 52.037 -0.019 0.000 0.646 147 A CB -0.779 18.298 19.000 0.129 0.000 0.806 147 A HN 0.629 nan 8.150 nan 0.000 0.448 148 H N -0.521 118.179 119.070 -0.617 0.000 2.333 148 H HA -0.043 4.519 4.556 0.009 0.000 0.302 148 H C 1.776 176.788 175.328 -0.527 0.000 1.075 148 H CA 1.186 56.570 56.048 -1.107 0.000 1.348 148 H CB 0.095 29.379 29.762 -0.798 0.000 1.393 148 H HN 0.504 nan 8.280 nan 0.000 0.509 149 E N 0.562 120.514 120.200 -0.412 0.000 2.204 149 E HA -0.143 4.213 4.350 0.009 0.000 0.194 149 E C 1.979 178.460 176.600 -0.198 0.000 0.989 149 E CA 0.732 56.925 56.400 -0.346 0.000 0.824 149 E CB 0.029 29.576 29.700 -0.255 0.000 0.756 149 E HN 0.688 nan 8.360 nan 0.000 0.477 150 E N 0.586 120.701 120.200 -0.143 0.000 2.107 150 E HA -0.142 4.214 4.350 0.009 0.000 0.191 150 E C 2.151 178.727 176.600 -0.041 0.000 0.982 150 E CA 0.472 56.830 56.400 -0.071 0.000 0.809 150 E CB 0.036 29.715 29.700 -0.035 0.000 0.756 150 E HN -0.081 nan 8.360 nan 0.000 0.459 151 R N 1.393 121.870 120.500 -0.039 0.000 2.081 151 R HA -0.083 4.262 4.340 0.009 0.000 0.235 151 R C 2.068 178.379 176.300 0.019 0.000 1.131 151 R CA 1.148 57.277 56.100 0.048 0.000 0.960 151 R CB -0.735 29.668 30.300 0.171 0.000 0.856 151 R HN 0.155 nan 8.270 nan 0.000 0.436 152 L N 0.255 121.448 121.223 -0.050 0.000 1.990 152 L HA -0.274 4.072 4.340 0.009 0.000 0.213 152 L C 2.639 179.466 176.870 -0.072 0.000 1.072 152 L CA 1.962 56.758 54.840 -0.073 0.000 0.755 152 L CB -0.510 41.453 42.059 -0.160 0.000 0.889 152 L HN 0.375 nan 8.230 nan 0.000 0.432 153 Q N -0.654 119.103 119.800 -0.072 0.000 2.084 153 Q HA -0.274 4.072 4.340 0.009 0.000 0.202 153 Q C 2.148 178.131 176.000 -0.029 0.000 0.978 153 Q CA 1.644 57.415 55.803 -0.052 0.000 0.844 153 Q CB -0.103 28.605 28.738 -0.049 0.000 0.898 153 Q HN 0.487 nan 8.270 nan 0.000 0.426 154 E N 0.020 120.215 120.200 -0.009 0.000 2.110 154 E HA -0.167 4.189 4.350 0.009 0.000 0.193 154 E C 1.933 178.541 176.600 0.014 0.000 0.988 154 E CA 0.914 57.327 56.400 0.021 0.000 0.804 154 E CB 0.234 29.966 29.700 0.053 0.000 0.745 154 E HN 0.124 nan 8.360 nan 0.000 0.458 155 V N 2.084 121.981 119.914 -0.027 0.000 2.323 155 V HA -0.240 3.886 4.120 0.009 0.000 0.244 155 V C 2.281 178.292 176.094 -0.138 0.000 1.041 155 V CA 2.215 64.441 62.300 -0.123 0.000 1.025 155 V CB -0.496 31.166 31.823 -0.268 0.000 0.656 155 V HN 0.431 nan 8.190 nan 0.000 0.451 156 E N 1.051 121.187 120.200 -0.106 0.000 2.204 156 E HA -0.147 4.209 4.350 0.009 0.000 0.194 156 E C 2.115 178.690 176.600 -0.041 0.000 0.989 156 E CA 1.341 57.693 56.400 -0.080 0.000 0.824 156 E CB -0.360 29.299 29.700 -0.069 0.000 0.756 156 E HN 0.527 nan 8.360 nan 0.000 0.477 157 A N 1.863 124.669 122.820 -0.024 0.000 1.897 157 A HA -0.197 4.128 4.320 0.009 0.000 0.215 157 A C 2.115 179.707 177.584 0.013 0.000 1.181 157 A CA 1.431 53.466 52.037 -0.003 0.000 0.620 157 A CB -0.452 18.551 19.000 0.004 0.000 0.821 157 A HN 0.312 nan 8.150 nan 0.000 0.443 158 E N -0.278 119.937 120.200 0.024 0.000 2.110 158 E HA -0.121 4.234 4.350 0.009 0.000 0.193 158 E C 1.856 178.481 176.600 0.041 0.000 0.988 158 E CA 1.326 57.758 56.400 0.054 0.000 0.804 158 E CB -0.057 29.704 29.700 0.102 0.000 0.745 158 E HN 0.357 nan 8.360 nan 0.000 0.458 159 V N 0.966 120.889 119.914 0.015 0.000 2.453 159 V HA -0.214 3.911 4.120 0.009 0.000 0.247 159 V C 2.384 178.484 176.094 0.009 0.000 1.048 159 V CA 1.529 63.838 62.300 0.015 0.000 1.049 159 V CB -0.678 31.137 31.823 -0.013 0.000 0.672 159 V HN 0.376 nan 8.190 nan 0.000 0.457 160 A N 0.594 123.415 122.820 0.001 0.000 1.948 160 A HA -0.260 4.065 4.320 0.009 0.000 0.220 160 A C 2.506 180.097 177.584 0.011 0.000 1.177 160 A CA 2.726 54.764 52.037 0.003 0.000 0.636 160 A CB -0.537 18.463 19.000 -0.001 0.000 0.815 160 A HN 0.692 nan 8.150 nan 0.000 0.449 161 S N -2.247 113.464 115.700 0.019 0.000 2.499 161 S HA -0.028 4.448 4.470 0.009 0.000 0.225 161 S C 1.722 176.339 174.600 0.028 0.000 1.050 161 S CA 1.291 59.505 58.200 0.023 0.000 0.928 161 S CB -0.445 62.771 63.200 0.027 0.000 0.803 161 S HN 0.783 nan 8.310 nan 0.000 0.506 162 T N -3.492 111.081 114.554 0.032 0.000 2.990 162 T HA 0.517 4.872 4.350 0.009 0.000 0.250 162 T C 1.682 176.394 174.700 0.020 0.000 1.041 162 T CA 1.031 63.151 62.100 0.033 0.000 1.010 162 T CB 0.101 68.998 68.868 0.048 0.000 1.003 162 T HN 1.263 nan 8.240 nan 0.000 0.499 163 G N 0.274 109.085 108.800 0.018 0.000 2.241 163 G HA2 -0.228 3.737 3.960 0.009 0.000 0.244 163 G HA3 -0.228 3.737 3.960 0.009 0.000 0.244 163 G C 0.272 175.181 174.900 0.016 0.000 0.998 163 G CA 0.534 45.642 45.100 0.014 0.000 0.621 163 G HN 0.894 nan 8.290 nan 0.000 0.519 164 T N -1.084 113.471 114.554 0.002 0.000 2.633 164 T HA 0.773 5.129 4.350 0.009 0.000 0.262 164 T C -0.844 173.872 174.700 0.027 0.000 0.920 164 T CA 0.486 62.576 62.100 -0.017 0.000 1.062 164 T CB 1.376 70.166 68.868 -0.130 0.000 1.390 164 T HN 1.440 nan 8.240 nan 0.000 0.549 165 Y N -1.025 119.078 120.300 -0.328 0.000 2.788 165 Y HA 0.681 5.236 4.550 0.009 0.000 0.335 165 Y C -1.518 174.036 175.900 -0.577 0.000 1.287 165 Y CA -1.270 56.595 58.100 -0.392 0.000 1.068 165 Y CB 0.718 39.100 38.460 -0.129 0.000 1.340 165 Y HN 0.652 nan 8.280 nan 0.000 0.449 166 H N 1.317 120.339 119.070 -0.080 0.000 2.690 166 H HA 0.583 5.145 4.556 0.010 0.000 0.368 166 H C -1.071 174.238 175.328 -0.031 0.000 1.150 166 H CA -0.892 55.065 56.048 -0.152 0.000 1.174 166 H CB 2.523 32.269 29.762 -0.026 0.000 1.684 166 H HN 0.647 nan 8.280 nan 0.000 0.538 167 L N 2.104 123.369 121.223 0.070 0.000 2.350 167 L HA 0.354 4.700 4.340 0.009 0.000 0.275 167 L C 1.012 177.944 176.870 0.103 0.000 1.099 167 L CA -0.641 54.269 54.840 0.116 0.000 0.808 167 L CB 0.694 42.791 42.059 0.064 0.000 1.149 167 L HN 0.328 nan 8.230 nan 0.000 0.442 168 R N 1.427 121.976 120.500 0.081 0.000 2.641 168 R HA -0.005 4.341 4.340 0.009 0.000 0.269 168 R C 1.090 177.389 176.300 -0.001 0.000 1.074 168 R CA -0.278 55.842 56.100 0.034 0.000 1.133 168 R CB 0.741 31.045 30.300 0.007 0.000 1.029 168 R HN 0.702 nan 8.270 nan 0.000 0.488 169 E N 1.449 121.649 120.200 -0.000 0.000 2.095 169 E HA -0.340 4.016 4.350 0.009 0.000 0.212 169 E C 1.531 178.125 176.600 -0.011 0.000 1.044 169 E CA 2.689 59.081 56.400 -0.012 0.000 0.857 169 E CB -0.008 29.689 29.700 -0.004 0.000 0.764 169 E HN 0.693 nan 8.360 nan 0.000 0.462 170 S N -0.479 115.220 115.700 -0.002 0.000 2.453 170 S HA -0.113 4.363 4.470 0.009 0.000 0.231 170 S C 1.657 176.273 174.600 0.026 0.000 1.005 170 S CA 1.081 59.307 58.200 0.044 0.000 0.949 170 S CB -0.150 63.107 63.200 0.096 0.000 0.774 170 S HN 0.345 nan 8.310 nan 0.000 0.510 171 E N 0.695 120.806 120.200 -0.149 0.000 2.106 171 E HA -0.036 4.319 4.350 0.009 0.000 0.192 171 E C 1.942 178.669 176.600 0.212 0.000 0.984 171 E CA 1.054 57.401 56.400 -0.089 0.000 0.806 171 E CB -0.274 29.371 29.700 -0.091 0.000 0.750 171 E HN 0.453 nan 8.360 nan 0.000 0.458 172 L N 0.592 121.842 121.223 0.045 0.000 2.027 172 L HA -0.138 4.207 4.340 0.009 0.000 0.206 172 L C 2.190 179.044 176.870 -0.026 0.000 1.074 172 L CA 1.292 56.093 54.840 -0.065 0.000 0.745 172 L CB -0.273 41.688 42.059 -0.163 0.000 0.898 172 L HN -0.061 nan 8.230 nan 0.000 0.433 173 V N -0.352 119.580 119.914 0.029 0.000 2.287 173 V HA -0.327 3.798 4.120 0.009 0.000 0.248 173 V C 2.345 178.528 176.094 0.148 0.000 1.053 173 V CA 2.238 64.568 62.300 0.050 0.000 1.027 173 V CB -0.901 30.955 31.823 0.054 0.000 0.646 173 V HN 0.588 nan 8.190 nan 0.000 0.447 174 F N 1.956 121.982 119.950 0.127 0.000 2.095 174 F HA -0.080 4.452 4.527 0.008 0.000 0.298 174 F C 2.121 178.054 175.800 0.220 0.000 1.104 174 F CA 1.921 60.046 58.000 0.209 0.000 1.232 174 F CB -0.865 38.322 39.000 0.312 0.000 0.987 174 F HN 0.121 nan 8.300 nan 0.000 0.475 175 G N -0.480 108.376 108.800 0.093 0.000 2.403 175 G HA2 -0.085 3.881 3.960 0.009 0.000 0.216 175 G HA3 -0.085 3.881 3.960 0.009 0.000 0.216 175 G C 1.806 176.570 174.900 -0.227 0.000 1.154 175 G CA 0.623 45.686 45.100 -0.061 0.000 0.784 175 G HN 0.638 nan 8.290 nan 0.000 0.538 176 A N 1.214 123.923 122.820 -0.186 0.000 1.883 176 A HA -0.051 4.274 4.320 0.009 0.000 0.217 176 A C 2.294 179.846 177.584 -0.052 0.000 1.186 176 A CA 2.044 53.972 52.037 -0.182 0.000 0.624 176 A CB -0.385 18.536 19.000 -0.132 0.000 0.822 176 A HN 0.373 nan 8.150 nan 0.000 0.444 177 K N -1.163 119.255 120.400 0.030 0.000 2.097 177 K HA -0.167 4.158 4.320 0.009 0.000 0.206 177 K C 2.357 178.996 176.600 0.066 0.000 1.049 177 K CA 1.503 57.919 56.287 0.216 0.000 0.933 177 K CB -0.125 32.568 32.500 0.321 0.000 0.717 177 K HN 0.405 nan 8.250 nan 0.000 0.442 178 Q N 0.701 120.363 119.800 -0.231 0.000 2.079 178 Q HA -0.048 4.297 4.340 0.009 0.000 0.200 178 Q C 1.945 177.785 176.000 -0.266 0.000 0.974 178 Q CA 1.786 57.351 55.803 -0.398 0.000 0.840 178 Q CB -0.329 28.026 28.738 -0.639 0.000 0.898 178 Q HN 0.333 nan 8.270 nan 0.000 0.430 179 A N -0.579 122.088 122.820 -0.255 0.000 1.940 179 A HA -0.204 4.122 4.320 0.009 0.000 0.219 179 A C 1.834 179.420 177.584 0.003 0.000 1.176 179 A CA 1.634 53.487 52.037 -0.306 0.000 0.631 179 A CB -1.135 17.398 19.000 -0.778 0.000 0.814 179 A HN 0.691 nan 8.150 nan 0.000 0.446 180 W N 0.659 121.928 121.300 -0.052 0.000 2.407 180 W HA -0.047 4.617 4.660 0.007 0.000 0.305 180 W C 2.303 178.791 176.519 -0.052 0.000 1.196 180 W CA 1.268 58.640 57.345 0.046 0.000 1.311 180 W CB -0.716 28.775 29.460 0.051 0.000 1.135 180 W HN 0.335 nan 8.180 nan 0.000 0.514 181 R N 0.373 120.795 120.500 -0.131 0.000 2.103 181 R HA -0.217 4.129 4.340 0.009 0.000 0.242 181 R C 1.666 177.806 176.300 -0.266 0.000 1.142 181 R CA 1.927 57.737 56.100 -0.483 0.000 0.960 181 R CB -0.649 29.043 30.300 -1.013 0.000 0.858 181 R HN 0.143 nan 8.270 nan 0.000 0.439 182 N N 0.243 118.834 118.700 -0.182 0.000 2.494 182 N HA -0.022 4.724 4.740 0.009 0.000 0.182 182 N C -0.186 175.274 175.510 -0.084 0.000 1.076 182 N CA 0.674 53.642 53.050 -0.138 0.000 0.908 182 N CB 0.150 38.559 38.487 -0.130 0.000 0.967 182 N HN 0.165 nan 8.380 nan 0.000 0.449 183 A N 2.097 124.918 122.820 0.001 0.000 2.475 183 A HA 0.235 4.560 4.320 0.009 0.000 0.293 183 A C -1.236 176.333 177.584 -0.026 0.000 1.252 183 A CA -0.995 51.051 52.037 0.016 0.000 0.920 183 A CB 0.218 19.289 19.000 0.119 0.000 1.125 183 A HN -0.006 nan 8.150 nan 0.000 0.528 184 P HA -0.158 nan 4.420 nan 0.000 0.218 184 P C 1.114 178.368 177.300 -0.077 0.000 1.146 184 P CA 1.301 64.341 63.100 -0.099 0.000 0.813 184 P CB 0.157 31.761 31.700 -0.161 0.000 0.778 185 R N -2.722 117.706 120.500 -0.120 0.000 2.362 185 R HA 0.174 4.519 4.340 0.009 0.000 0.227 185 R C 0.151 176.457 176.300 0.009 0.000 0.905 185 R CA -0.178 55.861 56.100 -0.102 0.000 1.067 185 R CB -0.158 29.896 30.300 -0.410 0.000 1.078 185 R HN 0.159 nan 8.270 nan 0.000 0.516 186 C N 0.888 120.191 119.300 0.006 0.000 2.303 186 C HA 0.201 4.667 4.460 0.009 0.000 0.341 186 C C 1.927 176.889 174.990 -0.047 0.000 1.244 186 C CA -0.596 58.452 59.018 0.050 0.000 1.765 186 C CB 0.377 28.224 27.740 0.178 0.000 2.379 186 C HN 0.272 nan 8.230 nan 0.000 0.530 187 V N 6.129 125.969 119.914 -0.124 0.000 3.380 187 V HA 0.157 4.282 4.120 0.009 0.000 0.268 187 V C 1.834 177.935 176.094 0.012 0.000 1.168 187 V CA 2.176 64.296 62.300 -0.300 0.000 1.156 187 V CB -0.226 31.450 31.823 -0.244 0.000 0.785 187 V HN 1.076 nan 8.190 nan 0.000 0.487 188 G N -0.728 108.128 108.800 0.094 0.000 3.233 188 G HA2 0.021 3.986 3.960 0.009 0.000 0.227 188 G HA3 0.021 3.986 3.960 0.009 0.000 0.227 188 G C 1.315 176.259 174.900 0.074 0.000 1.175 188 G CA -0.293 44.888 45.100 0.135 0.000 0.781 188 G HN 0.445 nan 8.290 nan 0.000 0.542 189 R N -0.372 120.065 120.500 -0.104 0.000 2.280 189 R HA 0.071 4.417 4.340 0.009 0.000 0.207 189 R C 2.096 177.969 176.300 -0.711 0.000 1.043 189 R CA 0.107 55.842 56.100 -0.608 0.000 1.006 189 R CB -0.178 29.707 30.300 -0.690 0.000 0.885 189 R HN 0.412 nan 8.270 nan 0.000 0.467 190 I N 1.320 121.658 120.570 -0.387 0.000 2.399 190 I HA -0.296 3.879 4.170 0.009 0.000 0.254 190 I C 1.471 177.493 176.117 -0.158 0.000 1.146 190 I CA 1.657 62.907 61.300 -0.083 0.000 1.412 190 I CB 0.103 38.141 38.000 0.063 0.000 1.076 190 I HN 0.116 nan 8.210 nan 0.000 0.432 191 Q N 0.096 119.728 119.800 -0.279 0.000 2.403 191 Q HA -0.080 4.265 4.340 0.009 0.000 0.203 191 Q C 1.679 177.240 176.000 -0.732 0.000 0.932 191 Q CA 0.515 56.136 55.803 -0.304 0.000 0.945 191 Q CB -0.430 28.308 28.738 0.000 0.000 1.045 191 Q HN 0.841 nan 8.270 nan 0.000 0.511 192 W N 0.089 120.711 121.300 -1.130 0.000 2.325 192 W HA -0.113 4.554 4.660 0.012 0.000 0.299 192 W C 1.215 177.460 176.519 -0.457 0.000 1.215 192 W CA 1.177 57.729 57.345 -1.322 0.000 1.244 192 W CB -1.235 27.637 29.460 -0.979 0.000 1.140 192 W HN 0.095 nan 8.180 nan 0.000 0.523 193 G N 1.167 109.174 108.800 -1.323 0.000 2.598 193 G HA2 -0.163 3.803 3.960 0.009 0.000 0.215 193 G HA3 -0.163 3.803 3.960 0.009 0.000 0.215 193 G C 0.836 175.482 174.900 -0.423 0.000 1.131 193 G CA 0.069 44.491 45.100 -1.130 0.000 0.785 193 G HN 0.122 nan 8.290 nan 0.000 0.539 194 K N 0.294 120.558 120.400 -0.227 0.000 2.484 194 K HA 0.444 4.770 4.320 0.009 0.000 0.226 194 K C -1.809 174.879 176.600 0.146 0.000 1.031 194 K CA -0.622 55.646 56.287 -0.031 0.000 1.026 194 K CB 0.784 33.283 32.500 -0.001 0.000 1.412 194 K HN 0.125 nan 8.250 nan 0.000 0.492 195 L N 2.648 123.947 121.223 0.127 0.000 2.470 195 L HA 0.340 4.685 4.340 0.009 0.000 0.268 195 L C -1.162 175.710 176.870 0.004 0.000 0.964 195 L CA -0.421 54.516 54.840 0.162 0.000 0.839 195 L CB 2.014 44.242 42.059 0.281 0.000 1.276 195 L HN 0.325 nan 8.230 nan 0.000 0.403 196 Q N 2.843 122.601 119.800 -0.070 0.000 2.307 196 Q HA 0.488 4.834 4.340 0.009 0.000 0.259 196 Q C -1.404 174.283 176.000 -0.522 0.000 0.998 196 Q CA 0.078 55.672 55.803 -0.349 0.000 0.923 196 Q CB 1.102 29.560 28.738 -0.466 0.000 1.196 196 Q HN 0.541 nan 8.270 nan 0.000 0.416 197 V N 6.518 126.132 119.914 -0.500 0.000 2.318 197 V HA 0.338 4.464 4.120 0.009 0.000 0.271 197 V C -0.723 175.072 176.094 -0.498 0.000 1.030 197 V CA -0.514 61.559 62.300 -0.379 0.000 0.844 197 V CB 0.093 31.797 31.823 -0.198 0.000 1.015 197 V HN 0.622 nan 8.190 nan 0.000 0.460 198 F N 2.823 122.666 119.950 -0.178 0.000 2.411 198 F HA 0.357 4.887 4.527 0.004 0.000 0.355 198 F C 0.615 176.260 175.800 -0.258 0.000 1.117 198 F CA -0.904 56.974 58.000 -0.204 0.000 1.139 198 F CB 0.801 39.684 39.000 -0.196 0.000 1.120 198 F HN 0.392 nan 8.300 nan 0.000 0.493 199 D N 3.082 123.457 120.400 -0.042 0.000 2.316 199 D HA 0.424 5.069 4.640 0.009 0.000 0.245 199 D C -0.086 176.050 176.300 -0.273 0.000 1.171 199 D CA 0.071 53.978 54.000 -0.154 0.000 0.856 199 D CB 1.218 41.962 40.800 -0.093 0.000 1.090 199 D HN 0.622 nan 8.370 nan 0.000 0.476 200 A N 4.593 127.099 122.820 -0.523 0.000 2.749 200 A HA 0.179 4.504 4.320 0.009 0.000 0.299 200 A C 1.249 178.529 177.584 -0.505 0.000 1.105 200 A CA -0.429 51.062 52.037 -0.911 0.000 0.987 200 A CB 0.062 17.960 19.000 -1.837 0.000 1.180 200 A HN 0.545 nan 8.150 nan 0.000 0.528 201 R N 0.623 120.969 120.500 -0.258 0.000 2.328 201 R HA -0.023 4.322 4.340 0.009 0.000 0.200 201 R C 0.575 176.823 176.300 -0.087 0.000 0.983 201 R CA 0.996 57.016 56.100 -0.133 0.000 1.062 201 R CB 0.142 30.421 30.300 -0.036 0.000 0.956 201 R HN 0.666 nan 8.270 nan 0.000 0.479 202 D N -0.905 119.460 120.400 -0.059 0.000 2.379 202 D HA -0.057 4.588 4.640 0.009 0.000 0.208 202 D C 0.479 176.840 176.300 0.102 0.000 1.065 202 D CA -0.311 53.709 54.000 0.033 0.000 0.848 202 D CB -0.525 40.318 40.800 0.072 0.000 0.949 202 D HN -0.011 nan 8.370 nan 0.000 0.509 203 C N 1.940 121.298 119.300 0.097 0.000 2.611 203 C HA 0.318 4.784 4.460 0.009 0.000 0.416 203 C C 1.681 176.819 174.990 0.246 0.000 1.366 203 C CA 0.918 60.084 59.018 0.247 0.000 1.761 203 C CB -0.499 27.421 27.740 0.301 0.000 2.619 203 C HN 0.486 nan 8.230 nan 0.000 0.606 204 S N 2.326 118.219 115.700 0.323 0.000 2.820 204 S HA 0.269 4.745 4.470 0.009 0.000 0.265 204 S C -0.026 174.735 174.600 0.268 0.000 1.043 204 S CA 0.354 58.758 58.200 0.340 0.000 1.245 204 S CB -0.312 63.017 63.200 0.215 0.000 1.187 204 S HN 1.306 nan 8.310 nan 0.000 0.673 205 S N -0.104 115.748 115.700 0.253 0.000 2.661 205 S HA 0.875 5.350 4.470 0.009 0.000 0.285 205 S C 1.051 175.750 174.600 0.164 0.000 1.138 205 S CA -0.293 58.006 58.200 0.165 0.000 0.855 205 S CB 1.101 64.377 63.200 0.127 0.000 1.136 205 S HN 0.572 nan 8.310 nan 0.000 0.484 206 A N 0.745 123.633 122.820 0.115 0.000 1.873 206 A HA -0.073 4.252 4.320 0.009 0.000 0.215 206 A C 2.172 179.761 177.584 0.008 0.000 1.186 206 A CA 2.156 54.258 52.037 0.108 0.000 0.616 206 A CB -1.427 17.694 19.000 0.202 0.000 0.823 206 A HN 0.917 nan 8.150 nan 0.000 0.442 207 Q N 0.340 120.207 119.800 0.112 0.000 2.062 207 Q HA -0.273 4.073 4.340 0.009 0.000 0.209 207 Q C 1.901 177.877 176.000 -0.040 0.000 0.996 207 Q CA 2.719 58.521 55.803 -0.002 0.000 0.859 207 Q CB -0.536 28.290 28.738 0.147 0.000 0.920 207 Q HN 0.756 nan 8.270 nan 0.000 0.415 208 E N -1.060 119.176 120.200 0.060 0.000 2.110 208 E HA -0.185 4.171 4.350 0.009 0.000 0.193 208 E C 1.963 178.683 176.600 0.201 0.000 0.988 208 E CA 1.270 57.731 56.400 0.101 0.000 0.804 208 E CB -0.137 29.674 29.700 0.185 0.000 0.745 208 E HN 0.499 nan 8.360 nan 0.000 0.458 209 M N -0.196 119.500 119.600 0.160 0.000 2.149 209 M HA -0.161 4.325 4.480 0.009 0.000 0.261 209 M C 2.103 178.468 176.300 0.109 0.000 1.064 209 M CA 1.197 56.561 55.300 0.108 0.000 1.102 209 M CB -0.340 32.134 32.600 -0.211 0.000 1.369 209 M HN 0.199 nan 8.290 nan 0.000 0.408 210 F N 1.398 121.158 119.950 -0.316 0.000 2.075 210 F HA -0.186 4.348 4.527 0.012 0.000 0.297 210 F C 2.376 178.067 175.800 -0.183 0.000 1.113 210 F CA 1.942 59.689 58.000 -0.422 0.000 1.218 210 F CB -0.956 37.467 39.000 -0.961 0.000 0.984 210 F HN 0.053 nan 8.300 nan 0.000 0.472 211 T N 0.067 114.462 114.554 -0.265 0.000 2.597 211 T HA -0.312 4.044 4.350 0.009 0.000 0.267 211 T C 1.750 176.290 174.700 -0.266 0.000 1.053 211 T CA 2.262 64.167 62.100 -0.325 0.000 1.165 211 T CB -1.008 67.702 68.868 -0.264 0.000 0.863 211 T HN 0.283 nan 8.240 nan 0.000 0.427 212 Y N 1.071 121.322 120.300 -0.082 0.000 2.081 212 Y HA -0.129 4.425 4.550 0.008 0.000 0.280 212 Y C 2.362 178.214 175.900 -0.080 0.000 1.163 212 Y CA 0.821 58.886 58.100 -0.059 0.000 1.135 212 Y CB -0.746 37.774 38.460 0.100 0.000 0.970 212 Y HN 0.212 nan 8.280 nan 0.000 0.498 213 I N -1.653 119.005 120.570 0.148 0.000 2.264 213 I HA -0.373 3.803 4.170 0.009 0.000 0.248 213 I C 2.403 178.464 176.117 -0.094 0.000 1.111 213 I CA 1.114 62.437 61.300 0.039 0.000 1.382 213 I CB -0.538 37.489 38.000 0.045 0.000 1.060 213 I HN 0.298 nan 8.210 nan 0.000 0.418 214 C N 0.711 119.835 119.300 -0.294 0.000 2.446 214 C HA -0.124 4.342 4.460 0.009 0.000 0.277 214 C C 2.655 177.541 174.990 -0.173 0.000 1.275 214 C CA 0.798 59.621 59.018 -0.324 0.000 1.727 214 C CB -1.361 26.049 27.740 -0.550 0.000 2.010 214 C HN 0.551 nan 8.230 nan 0.000 0.486 215 N N 0.174 118.763 118.700 -0.185 0.000 2.069 215 N HA -0.168 4.577 4.740 0.009 0.000 0.191 215 N C 1.425 176.854 175.510 -0.136 0.000 1.031 215 N CA 1.662 54.602 53.050 -0.182 0.000 0.852 215 N CB -0.941 37.377 38.487 -0.281 0.000 1.018 215 N HN 0.745 nan 8.380 nan 0.000 0.423 216 H N 0.601 119.537 119.070 -0.224 0.000 2.319 216 H HA 0.023 4.586 4.556 0.011 0.000 0.299 216 H C 2.092 177.444 175.328 0.040 0.000 1.092 216 H CA 1.644 57.625 56.048 -0.112 0.000 1.302 216 H CB -0.071 29.665 29.762 -0.043 0.000 1.373 216 H HN 0.127 nan 8.280 nan 0.000 0.497 217 I N 0.356 121.058 120.570 0.221 0.000 2.315 217 I HA -0.232 3.943 4.170 0.009 0.000 0.248 217 I C 2.368 178.550 176.117 0.110 0.000 1.117 217 I CA 1.232 62.632 61.300 0.166 0.000 1.404 217 I CB -0.230 37.802 38.000 0.053 0.000 1.071 217 I HN 0.304 nan 8.210 nan 0.000 0.419 218 K N 0.092 120.528 120.400 0.061 0.000 2.001 218 K HA -0.225 4.100 4.320 0.009 0.000 0.208 218 K C 2.230 178.875 176.600 0.075 0.000 1.048 218 K CA 1.711 58.024 56.287 0.043 0.000 0.932 218 K CB -0.448 32.057 32.500 0.008 0.000 0.715 218 K HN 0.167 nan 8.250 nan 0.000 0.437 219 Y N 1.504 121.796 120.300 -0.012 0.000 2.053 219 Y HA -0.336 4.216 4.550 0.004 0.000 0.277 219 Y C 2.252 178.189 175.900 0.063 0.000 1.159 219 Y CA 1.932 60.052 58.100 0.033 0.000 1.125 219 Y CB -0.528 37.972 38.460 0.068 0.000 0.969 219 Y HN 0.086 nan 8.280 nan 0.000 0.492 220 A N -1.151 121.772 122.820 0.170 0.000 1.933 220 A HA -0.161 4.164 4.320 0.009 0.000 0.218 220 A C 2.204 179.828 177.584 0.066 0.000 1.175 220 A CA 2.187 54.296 52.037 0.121 0.000 0.628 220 A CB -1.234 17.889 19.000 0.206 0.000 0.814 220 A HN 0.550 nan 8.150 nan 0.000 0.444 221 T N -0.205 114.392 114.554 0.071 0.000 2.857 221 T HA -0.076 4.279 4.350 0.009 0.000 0.266 221 T C 1.100 175.807 174.700 0.010 0.000 1.048 221 T CA 1.032 63.172 62.100 0.067 0.000 1.139 221 T CB -0.385 68.526 68.868 0.071 0.000 0.874 221 T HN 0.622 nan 8.240 nan 0.000 0.455 222 N N 1.350 120.023 118.700 -0.044 0.000 2.701 222 N HA -0.263 4.482 4.740 0.009 0.000 0.252 222 N C -0.055 175.430 175.510 -0.040 0.000 1.002 222 N CA 0.492 53.495 53.050 -0.079 0.000 0.758 222 N CB -1.198 37.200 38.487 -0.149 0.000 0.937 222 N HN 0.475 nan 8.380 nan 0.000 0.538 223 R N -2.630 117.860 120.500 -0.016 0.000 3.741 223 R HA -0.247 4.099 4.340 0.009 0.000 0.292 223 R C 1.284 177.577 176.300 -0.011 0.000 1.176 223 R CA 1.216 57.310 56.100 -0.011 0.000 0.794 223 R CB -1.847 28.442 30.300 -0.018 0.000 1.213 223 R HN 0.881 nan 8.270 nan 0.000 0.494 224 G N -0.407 108.394 108.800 0.003 0.000 2.352 224 G HA2 -0.277 3.689 3.960 0.009 0.000 0.204 224 G HA3 -0.277 3.689 3.960 0.009 0.000 0.204 224 G C 0.008 174.904 174.900 -0.007 0.000 1.004 224 G CA -0.062 45.043 45.100 0.009 0.000 0.648 224 G HN 0.283 nan 8.290 nan 0.000 0.491 225 N N 1.912 120.591 118.700 -0.035 0.000 3.103 225 N HA 0.345 5.091 4.740 0.009 0.000 0.305 225 N C 0.431 175.913 175.510 -0.047 0.000 1.232 225 N CA -0.234 52.777 53.050 -0.065 0.000 1.190 225 N CB -0.568 37.877 38.487 -0.071 0.000 1.461 225 N HN 0.246 nan 8.380 nan 0.000 0.538 226 L N 1.745 122.968 121.223 -0.000 0.000 2.559 226 L HA 0.027 4.372 4.340 0.009 0.000 0.282 226 L C 0.858 177.857 176.870 0.215 0.000 1.232 226 L CA 0.992 55.911 54.840 0.132 0.000 0.885 226 L CB 0.067 42.290 42.059 0.273 0.000 1.131 226 L HN 0.286 nan 8.230 nan 0.000 0.498 227 R N 1.637 122.256 120.500 0.198 0.000 2.561 227 R HA 0.427 4.773 4.340 0.009 0.000 0.297 227 R C -0.509 175.940 176.300 0.249 0.000 0.969 227 R CA -0.714 55.519 56.100 0.222 0.000 0.879 227 R CB 1.618 31.902 30.300 -0.025 0.000 1.178 227 R HN 0.561 nan 8.270 nan 0.000 0.445 228 S N 1.576 117.420 115.700 0.240 0.000 2.537 228 S HA 0.366 4.841 4.470 0.009 0.000 0.286 228 S C -0.184 174.478 174.600 0.104 0.000 1.299 228 S CA -0.145 58.104 58.200 0.082 0.000 1.067 228 S CB 0.992 64.196 63.200 0.007 0.000 0.864 228 S HN 0.690 nan 8.310 nan 0.000 0.494 229 A N 2.957 125.812 122.820 0.059 0.000 2.609 229 A HA 0.853 5.178 4.320 0.009 0.000 0.291 229 A C -1.205 176.467 177.584 0.147 0.000 1.096 229 A CA -0.693 51.342 52.037 -0.003 0.000 0.684 229 A CB 1.249 20.201 19.000 -0.079 0.000 1.282 229 A HN 0.788 nan 8.150 nan 0.000 0.412 230 I N 0.250 120.908 120.570 0.147 0.000 2.656 230 I HA 0.608 4.783 4.170 0.009 0.000 0.292 230 I C -1.138 175.142 176.117 0.272 0.000 1.144 230 I CA -0.114 61.369 61.300 0.304 0.000 1.038 230 I CB 2.429 40.537 38.000 0.180 0.000 1.244 230 I HN 0.589 nan 8.210 nan 0.000 0.420 231 T N 6.343 121.065 114.554 0.279 0.000 2.791 231 T HA 0.418 4.773 4.350 0.009 0.000 0.288 231 T C -0.714 173.825 174.700 -0.269 0.000 0.999 231 T CA -0.340 61.770 62.100 0.017 0.000 0.952 231 T CB 1.372 70.237 68.868 -0.005 0.000 0.938 231 T HN 0.252 nan 8.240 nan 0.000 0.444 232 V N 5.456 125.150 119.914 -0.367 0.000 2.318 232 V HA 0.416 4.542 4.120 0.009 0.000 0.271 232 V C -0.161 175.648 176.094 -0.474 0.000 1.030 232 V CA -0.792 61.299 62.300 -0.349 0.000 0.844 232 V CB -0.430 31.161 31.823 -0.388 0.000 1.015 232 V HN 0.710 nan 8.190 nan 0.000 0.460 233 F N 5.820 125.688 119.950 -0.136 0.000 2.390 233 F HA 0.430 4.963 4.527 0.011 0.000 0.307 233 F C -1.669 174.023 175.800 -0.178 0.000 1.227 233 F CA -2.098 55.734 58.000 -0.279 0.000 1.179 233 F CB -0.037 38.782 39.000 -0.301 0.000 1.280 233 F HN 0.293 nan 8.300 nan 0.000 0.548 234 P HA 0.076 nan 4.420 nan 0.000 0.272 234 P C -1.255 176.034 177.300 -0.019 0.000 1.223 234 P CA -0.519 62.501 63.100 -0.133 0.000 0.784 234 P CB 0.329 31.869 31.700 -0.266 0.000 0.923 235 Q N 1.855 121.560 119.800 -0.158 0.000 2.354 235 Q HA 0.248 4.594 4.340 0.009 0.000 0.244 235 Q C -0.092 175.816 176.000 -0.153 0.000 0.969 235 Q CA -0.699 54.837 55.803 -0.444 0.000 0.885 235 Q CB 0.667 28.862 28.738 -0.905 0.000 1.241 235 Q HN 0.284 nan 8.270 nan 0.000 0.461 236 R N 0.440 120.854 120.500 -0.143 0.000 2.474 236 R HA 0.011 4.357 4.340 0.009 0.000 0.290 236 R C -0.665 175.596 176.300 -0.065 0.000 0.918 236 R CA 0.866 56.930 56.100 -0.060 0.000 1.130 236 R CB 0.069 30.322 30.300 -0.079 0.000 0.881 236 R HN 0.718 nan 8.270 nan 0.000 0.416 237 A N 6.345 129.161 122.820 -0.008 0.000 2.340 237 A HA 0.552 4.878 4.320 0.009 0.000 0.331 237 A C -2.199 175.383 177.584 -0.004 0.000 1.140 237 A CA -1.742 50.293 52.037 -0.003 0.000 0.801 237 A CB 1.031 20.052 19.000 0.035 0.000 1.234 237 A HN 0.481 nan 8.150 nan 0.000 0.469 238 P HA 0.135 nan 4.420 nan 0.000 0.263 238 P C 0.729 178.032 177.300 0.005 0.000 1.195 238 P CA 1.287 64.385 63.100 -0.003 0.000 0.762 238 P CB 0.218 31.918 31.700 0.000 0.000 0.799 239 G N 3.314 112.115 108.800 0.003 0.000 2.266 239 G HA2 -0.247 3.719 3.960 0.009 0.000 0.269 239 G HA3 -0.247 3.719 3.960 0.009 0.000 0.269 239 G C 0.100 175.005 174.900 0.007 0.000 0.863 239 G CA 0.127 45.230 45.100 0.005 0.000 1.268 239 G HN 0.815 nan 8.290 nan 0.000 0.426 240 R N 0.222 120.725 120.500 0.006 0.000 2.604 240 R HA 0.523 4.869 4.340 0.009 0.000 0.270 240 R C 0.679 176.977 176.300 -0.003 0.000 1.052 240 R CA -0.035 56.068 56.100 0.006 0.000 0.902 240 R CB 1.082 31.395 30.300 0.021 0.000 1.233 240 R HN 0.637 nan 8.270 nan 0.000 0.455 241 G N 1.766 110.553 108.800 -0.022 0.000 2.690 241 G HA2 0.054 4.019 3.960 0.009 0.000 0.239 241 G HA3 0.054 4.019 3.960 0.009 0.000 0.239 241 G C -0.410 174.468 174.900 -0.038 0.000 1.233 241 G CA -0.195 44.886 45.100 -0.032 0.000 0.847 241 G HN 0.531 nan 8.290 nan 0.000 0.588 242 D N -0.603 119.789 120.400 -0.014 0.000 2.294 242 D HA 0.332 4.978 4.640 0.009 0.000 0.250 242 D C -0.285 176.011 176.300 -0.005 0.000 1.058 242 D CA -0.042 53.980 54.000 0.036 0.000 0.950 242 D CB 1.049 41.884 40.800 0.058 0.000 1.158 242 D HN 0.118 nan 8.370 nan 0.000 0.453 243 F N 1.536 121.511 119.950 0.041 0.000 2.445 243 F HA 0.290 4.823 4.527 0.011 0.000 0.359 243 F C 1.021 176.849 175.800 0.046 0.000 1.101 243 F CA 0.023 58.037 58.000 0.023 0.000 1.177 243 F CB 0.595 39.606 39.000 0.019 0.000 1.110 243 F HN -0.203 nan 8.300 nan 0.000 0.522 244 R N 4.042 124.660 120.500 0.196 0.000 2.725 244 R HA 0.557 4.902 4.340 0.009 0.000 0.277 244 R C -1.207 175.237 176.300 0.240 0.000 0.987 244 R CA -0.954 55.276 56.100 0.216 0.000 0.901 244 R CB 2.288 32.734 30.300 0.243 0.000 1.207 244 R HN 0.608 nan 8.270 nan 0.000 0.463 245 I N 1.772 122.475 120.570 0.221 0.000 2.362 245 I HA 0.197 4.373 4.170 0.009 0.000 0.289 245 I C 0.524 176.852 176.117 0.351 0.000 0.994 245 I CA -0.509 60.931 61.300 0.232 0.000 1.158 245 I CB 1.299 39.370 38.000 0.119 0.000 1.315 245 I HN 0.502 nan 8.210 nan 0.000 0.451 246 W N 3.223 124.563 121.300 0.067 0.000 2.381 246 W HA -0.084 4.582 4.660 0.009 0.000 0.301 246 W C 0.941 177.558 176.519 0.163 0.000 1.205 246 W CA 0.218 57.667 57.345 0.174 0.000 1.285 246 W CB -0.879 28.674 29.460 0.157 0.000 1.133 246 W HN 0.405 nan 8.180 nan 0.000 0.521 247 N N 0.400 119.257 118.700 0.262 0.000 2.458 247 N HA 0.001 4.746 4.740 0.009 0.000 0.258 247 N C 1.280 176.845 175.510 0.092 0.000 1.219 247 N CA 0.881 54.007 53.050 0.128 0.000 0.902 247 N CB 0.687 39.189 38.487 0.026 0.000 1.076 247 N HN -0.052 nan 8.380 nan 0.000 0.455 248 S N 1.237 116.984 115.700 0.078 0.000 2.423 248 S HA -0.096 4.380 4.470 0.009 0.000 0.231 248 S C 0.410 175.000 174.600 -0.017 0.000 1.014 248 S CA 0.784 59.009 58.200 0.042 0.000 0.965 248 S CB 0.056 63.292 63.200 0.060 0.000 0.785 248 S HN 0.673 nan 8.310 nan 0.000 0.495 249 Q N -0.827 118.953 119.800 -0.033 0.000 2.421 249 Q HA 0.495 4.841 4.340 0.009 0.000 0.280 249 Q C 0.269 176.191 176.000 -0.130 0.000 1.085 249 Q CA -0.574 55.175 55.803 -0.091 0.000 0.807 249 Q CB 1.942 30.655 28.738 -0.041 0.000 1.405 249 Q HN 0.139 nan 8.270 nan 0.000 0.419 250 L N 0.261 121.382 121.223 -0.171 0.000 2.131 250 L HA -0.008 4.337 4.340 0.009 0.000 0.210 250 L C 0.384 177.106 176.870 -0.247 0.000 1.092 250 L CA 0.929 55.666 54.840 -0.172 0.000 0.759 250 L CB 0.094 42.051 42.059 -0.170 0.000 0.903 250 L HN 0.271 nan 8.230 nan 0.000 0.435 251 V N 0.516 120.186 119.914 -0.407 0.000 2.540 251 V HA 0.508 4.634 4.120 0.009 0.000 0.302 251 V C -0.302 175.339 176.094 -0.756 0.000 1.035 251 V CA -0.713 61.169 62.300 -0.696 0.000 0.873 251 V CB 1.900 33.030 31.823 -1.156 0.000 0.992 251 V HN 0.168 nan 8.190 nan 0.000 0.428 252 R N 2.799 122.950 120.500 -0.581 0.000 2.566 252 R HA 0.410 4.756 4.340 0.009 0.000 0.271 252 R C -1.786 174.307 176.300 -0.344 0.000 1.071 252 R CA -0.742 55.138 56.100 -0.367 0.000 0.915 252 R CB 2.139 32.346 30.300 -0.155 0.000 1.228 252 R HN 0.615 nan 8.270 nan 0.000 0.449 253 Y N 0.737 121.029 120.300 -0.014 0.000 2.336 253 Y HA 0.348 4.903 4.550 0.009 0.000 0.331 253 Y C 1.228 177.086 175.900 -0.070 0.000 1.211 253 Y CA -0.268 57.830 58.100 -0.004 0.000 1.346 253 Y CB 0.563 39.070 38.460 0.078 0.000 1.271 253 Y HN 0.656 nan 8.280 nan 0.000 0.538 254 A N 1.351 124.201 122.820 0.049 0.000 2.425 254 A HA 0.537 4.863 4.320 0.009 0.000 0.242 254 A C 0.598 177.938 177.584 -0.406 0.000 1.077 254 A CA 0.295 52.194 52.037 -0.231 0.000 0.781 254 A CB -0.323 18.463 19.000 -0.357 0.000 1.020 254 A HN 0.956 nan 8.150 nan 0.000 0.494 255 G N 0.673 109.215 108.800 -0.430 0.000 2.782 255 G HA2 0.541 4.506 3.960 0.009 0.000 0.289 255 G HA3 0.541 4.506 3.960 0.009 0.000 0.289 255 G C -1.241 173.491 174.900 -0.280 0.000 1.463 255 G CA -0.256 44.644 45.100 -0.333 0.000 1.019 255 G HN 0.483 nan 8.290 nan 0.000 0.536 256 Y N 1.112 121.425 120.300 0.021 0.000 2.335 256 Y HA 0.473 5.028 4.550 0.009 0.000 0.339 256 Y C 0.917 176.817 175.900 -0.001 0.000 0.987 256 Y CA -1.243 56.870 58.100 0.021 0.000 1.140 256 Y CB 1.433 39.902 38.460 0.016 0.000 1.173 256 Y HN 0.472 nan 8.280 nan 0.000 0.486 257 R N 3.376 123.965 120.500 0.148 0.000 2.370 257 R HA 0.127 4.473 4.340 0.009 0.000 0.309 257 R C -0.265 176.076 176.300 0.069 0.000 1.059 257 R CA -0.339 55.808 56.100 0.078 0.000 0.981 257 R CB 0.363 30.696 30.300 0.055 0.000 0.972 257 R HN 0.640 nan 8.270 nan 0.000 0.437 258 Q N 2.352 122.181 119.800 0.049 0.000 2.249 258 Q HA 0.009 4.355 4.340 0.009 0.000 0.226 258 Q C 0.578 176.588 176.000 0.016 0.000 0.983 258 Q CA -0.265 55.555 55.803 0.030 0.000 0.930 258 Q CB 1.020 29.772 28.738 0.023 0.000 1.193 258 Q HN 0.580 nan 8.270 nan 0.000 0.508 259 Q N 0.770 120.573 119.800 0.006 0.000 2.119 259 Q HA -0.121 4.225 4.340 0.009 0.000 0.201 259 Q C 0.149 176.151 176.000 0.003 0.000 0.972 259 Q CA 1.419 57.223 55.803 0.002 0.000 0.847 259 Q CB 0.198 28.933 28.738 -0.005 0.000 0.903 259 Q HN 0.592 nan 8.270 nan 0.000 0.433 260 D N -1.514 118.888 120.400 0.003 0.000 3.008 260 D HA 0.082 4.727 4.640 0.009 0.000 0.242 260 D C 0.840 177.144 176.300 0.006 0.000 1.222 260 D CA 0.612 54.614 54.000 0.003 0.000 0.883 260 D CB -0.272 40.529 40.800 0.002 0.000 1.110 260 D HN 0.354 nan 8.370 nan 0.000 0.455 261 G N 1.409 110.214 108.800 0.008 0.000 2.650 261 G HA2 -0.439 3.526 3.960 0.009 0.000 0.245 261 G HA3 -0.439 3.526 3.960 0.009 0.000 0.245 261 G C 0.775 175.681 174.900 0.011 0.000 1.044 261 G CA 1.226 46.333 45.100 0.010 0.000 0.669 261 G HN 0.759 nan 8.290 nan 0.000 0.548 262 S N -0.806 114.900 115.700 0.010 0.000 2.617 262 S HA 0.550 5.026 4.470 0.009 0.000 0.255 262 S C 0.067 174.671 174.600 0.007 0.000 1.318 262 S CA 0.186 58.389 58.200 0.006 0.000 0.978 262 S CB 1.839 65.041 63.200 0.004 0.000 0.961 262 S HN 1.126 nan 8.310 nan 0.000 0.582 263 V N 1.193 121.102 119.914 -0.009 0.000 2.531 263 V HA 0.510 4.636 4.120 0.009 0.000 0.301 263 V C 0.064 176.136 176.094 -0.036 0.000 1.034 263 V CA -0.782 61.507 62.300 -0.019 0.000 0.865 263 V CB 1.510 33.302 31.823 -0.052 0.000 0.995 263 V HN 0.926 nan 8.190 nan 0.000 0.424 264 R N 3.016 123.525 120.500 0.014 0.000 2.297 264 R HA 0.667 5.012 4.340 0.009 0.000 0.308 264 R C 0.672 176.927 176.300 -0.076 0.000 1.029 264 R CA 1.026 57.136 56.100 0.017 0.000 0.929 264 R CB 1.011 31.394 30.300 0.139 0.000 1.046 264 R HN 1.180 nan 8.270 nan 0.000 0.461 265 G N 2.916 111.593 108.800 -0.206 0.000 2.466 265 G HA2 -0.253 3.713 3.960 0.009 0.000 0.218 265 G HA3 -0.253 3.713 3.960 0.009 0.000 0.218 265 G C -1.263 173.283 174.900 -0.589 0.000 1.237 265 G CA -0.072 44.824 45.100 -0.339 0.000 0.954 265 G HN 0.651 nan 8.290 nan 0.000 0.580 266 D N 1.557 121.729 120.400 -0.380 0.000 2.347 266 D HA 0.557 5.202 4.640 0.009 0.000 0.235 266 D C -1.193 174.997 176.300 -0.183 0.000 1.149 266 D CA -1.949 51.851 54.000 -0.334 0.000 0.850 266 D CB 1.498 42.380 40.800 0.136 0.000 1.061 266 D HN -0.006 nan 8.370 nan 0.000 0.487 267 P HA 0.003 nan 4.420 nan 0.000 0.230 267 P C 0.760 178.057 177.300 -0.005 0.000 1.158 267 P CA 0.529 63.580 63.100 -0.081 0.000 0.769 267 P CB 0.295 31.957 31.700 -0.063 0.000 0.807 268 A N -0.545 122.290 122.820 0.025 0.000 2.172 268 A HA -0.076 4.250 4.320 0.009 0.000 0.216 268 A C 1.481 179.106 177.584 0.067 0.000 1.154 268 A CA 1.251 53.334 52.037 0.077 0.000 0.701 268 A CB -0.668 18.404 19.000 0.121 0.000 0.789 268 A HN 0.124 nan 8.150 nan 0.000 0.465 269 N N -1.177 117.541 118.700 0.031 0.000 2.241 269 N HA 0.144 4.890 4.740 0.009 0.000 0.238 269 N C 0.940 176.441 175.510 -0.014 0.000 1.244 269 N CA 0.070 53.131 53.050 0.017 0.000 0.880 269 N CB 0.789 39.283 38.487 0.011 0.000 1.179 269 N HN 0.114 nan 8.380 nan 0.000 0.513 270 V N 1.019 120.929 119.914 -0.007 0.000 2.255 270 V HA -0.217 3.909 4.120 0.009 0.000 0.247 270 V C 2.360 178.451 176.094 -0.005 0.000 1.051 270 V CA 1.816 64.112 62.300 -0.007 0.000 1.018 270 V CB -0.152 31.675 31.823 0.007 0.000 0.641 270 V HN 0.366 nan 8.190 nan 0.000 0.445 271 E N -0.641 119.556 120.200 -0.005 0.000 2.038 271 E HA -0.269 4.087 4.350 0.009 0.000 0.195 271 E C 2.135 178.651 176.600 -0.140 0.000 1.000 271 E CA 1.824 58.191 56.400 -0.054 0.000 0.803 271 E CB -0.170 29.529 29.700 -0.003 0.000 0.750 271 E HN 0.502 nan 8.360 nan 0.000 0.448 272 I N 0.676 121.183 120.570 -0.104 0.000 2.394 272 I HA -0.210 3.966 4.170 0.009 0.000 0.251 272 I C 2.052 178.123 176.117 -0.077 0.000 1.136 272 I CA 1.457 62.681 61.300 -0.127 0.000 1.425 272 I CB -0.290 37.690 38.000 -0.034 0.000 1.079 272 I HN 0.055 nan 8.210 nan 0.000 0.425 273 T N 0.061 114.596 114.554 -0.033 0.000 2.708 273 T HA -0.197 4.158 4.350 0.009 0.000 0.266 273 T C 1.795 176.566 174.700 0.118 0.000 1.037 273 T CA 1.794 63.921 62.100 0.044 0.000 1.146 273 T CB -0.307 68.589 68.868 0.046 0.000 0.865 273 T HN 0.438 nan 8.240 nan 0.000 0.435 274 E N 0.434 120.671 120.200 0.061 0.000 2.153 274 E HA -0.035 4.321 4.350 0.009 0.000 0.194 274 E C 2.127 178.748 176.600 0.036 0.000 0.988 274 E CA 0.643 57.077 56.400 0.057 0.000 0.811 274 E CB -0.209 29.499 29.700 0.013 0.000 0.746 274 E HN 0.420 nan 8.360 nan 0.000 0.466 275 L N -0.148 121.060 121.223 -0.025 0.000 2.109 275 L HA -0.185 4.161 4.340 0.009 0.000 0.207 275 L C 2.491 179.444 176.870 0.139 0.000 1.086 275 L CA 0.563 55.412 54.840 0.016 0.000 0.760 275 L CB -0.203 41.763 42.059 -0.155 0.000 0.910 275 L HN 0.304 nan 8.230 nan 0.000 0.437 276 C N -0.024 119.319 119.300 0.072 0.000 2.432 276 C HA -0.144 4.322 4.460 0.009 0.000 0.277 276 C C 2.702 177.845 174.990 0.255 0.000 1.249 276 C CA 0.562 59.632 59.018 0.087 0.000 1.725 276 C CB -0.564 27.144 27.740 -0.054 0.000 2.028 276 C HN 0.420 nan 8.230 nan 0.000 0.477 277 I N 0.263 121.014 120.570 0.301 0.000 2.315 277 I HA -0.250 3.926 4.170 0.009 0.000 0.248 277 I C 2.639 178.826 176.117 0.117 0.000 1.117 277 I CA 1.455 62.904 61.300 0.248 0.000 1.404 277 I CB -0.572 37.544 38.000 0.194 0.000 1.071 277 I HN 0.462 nan 8.210 nan 0.000 0.419 278 Q N -0.216 119.635 119.800 0.085 0.000 2.224 278 Q HA -0.194 4.151 4.340 0.009 0.000 0.203 278 Q C 1.145 177.067 176.000 -0.130 0.000 0.970 278 Q CA 1.213 57.000 55.803 -0.028 0.000 0.865 278 Q CB -0.015 28.693 28.738 -0.050 0.000 0.922 278 Q HN 0.603 nan 8.270 nan 0.000 0.445 279 H N -1.714 117.341 119.070 -0.025 0.000 2.538 279 H HA 0.232 4.794 4.556 0.009 0.000 0.286 279 H C 0.673 175.971 175.328 -0.050 0.000 1.035 279 H CA 0.598 56.603 56.048 -0.072 0.000 1.169 279 H CB 0.615 30.285 29.762 -0.152 0.000 1.417 279 H HN 0.382 nan 8.280 nan 0.000 0.567 280 G N -0.415 108.420 108.800 0.059 0.000 2.163 280 G HA2 -0.254 3.711 3.960 0.009 0.000 0.213 280 G HA3 -0.254 3.711 3.960 0.009 0.000 0.213 280 G C -0.149 174.815 174.900 0.107 0.000 0.991 280 G CA -0.274 44.850 45.100 0.040 0.000 0.653 280 G HN 0.366 nan 8.290 nan 0.000 0.518 281 W N 2.950 124.226 121.300 -0.040 0.000 2.368 281 W HA 0.601 5.267 4.660 0.010 0.000 0.316 281 W C 0.432 176.941 176.519 -0.018 0.000 1.375 281 W CA 0.254 57.580 57.345 -0.031 0.000 1.261 281 W CB 0.494 29.947 29.460 -0.012 0.000 1.298 281 W HN 0.059 nan 8.180 nan 0.000 0.539 282 T N 10.129 124.415 114.554 -0.447 0.000 2.738 282 T HA 0.148 4.504 4.350 0.009 0.000 0.293 282 T C -1.970 172.003 174.700 -1.212 0.000 0.913 282 T CA -0.775 60.974 62.100 -0.586 0.000 1.103 282 T CB 0.303 68.970 68.868 -0.336 0.000 0.880 282 T HN 0.244 nan 8.240 nan 0.000 0.526 283 P HA 0.310 nan 4.420 nan 0.000 0.274 283 P C 0.454 177.323 177.300 -0.718 0.000 1.237 283 P CA -0.331 62.033 63.100 -1.226 0.000 0.793 283 P CB 0.854 32.200 31.700 -0.590 0.000 0.977 284 G N 0.806 109.334 108.800 -0.453 0.000 2.574 284 G HA2 0.193 4.158 3.960 0.009 0.000 0.248 284 G HA3 0.193 4.158 3.960 0.009 0.000 0.248 284 G C 0.121 174.786 174.900 -0.391 0.000 1.422 284 G CA -0.236 44.747 45.100 -0.195 0.000 1.051 284 G HN 0.573 nan 8.290 nan 0.000 0.560 285 N N -1.179 117.427 118.700 -0.155 0.000 2.381 285 N HA 0.218 4.963 4.740 0.009 0.000 0.257 285 N C 0.174 175.733 175.510 0.081 0.000 1.409 285 N CA 0.127 53.058 53.050 -0.197 0.000 0.836 285 N CB 0.719 39.100 38.487 -0.177 0.000 1.384 285 N HN 0.662 nan 8.380 nan 0.000 0.490 286 G N -0.479 108.482 108.800 0.267 0.000 2.537 286 G HA2 0.374 4.339 3.960 0.009 0.000 0.323 286 G HA3 0.374 4.339 3.960 0.009 0.000 0.323 286 G C 0.558 175.557 174.900 0.165 0.000 1.207 286 G CA -0.500 44.722 45.100 0.204 0.000 0.976 286 G HN 0.182 nan 8.290 nan 0.000 0.487 287 R N -0.915 119.589 120.500 0.007 0.000 2.276 287 R HA 0.106 4.452 4.340 0.009 0.000 0.203 287 R C -0.194 175.672 176.300 -0.722 0.000 1.017 287 R CA 0.811 56.720 56.100 -0.319 0.000 1.010 287 R CB 0.057 30.087 30.300 -0.449 0.000 0.900 287 R HN 0.389 nan 8.270 nan 0.000 0.469 288 F N 0.397 120.299 119.950 -0.080 0.000 2.605 288 F HA 0.230 4.763 4.527 0.009 0.000 0.391 288 F C -0.713 175.080 175.800 -0.012 0.000 1.429 288 F CA -1.188 56.526 58.000 -0.475 0.000 1.138 288 F CB 0.561 39.099 39.000 -0.770 0.000 1.198 288 F HN -0.261 nan 8.300 nan 0.000 0.516 289 D N 1.806 122.390 120.400 0.306 0.000 2.339 289 D HA 0.165 4.811 4.640 0.009 0.000 0.256 289 D C 0.274 176.824 176.300 0.418 0.000 1.214 289 D CA 0.305 54.541 54.000 0.392 0.000 0.877 289 D CB 1.861 42.947 40.800 0.477 0.000 1.111 289 D HN -0.076 nan 8.370 nan 0.000 0.478 290 V N 4.041 124.163 119.914 0.347 0.000 2.529 290 V HA -0.008 4.118 4.120 0.009 0.000 0.292 290 V C 1.059 177.141 176.094 -0.019 0.000 1.028 290 V CA -0.305 62.077 62.300 0.137 0.000 1.074 290 V CB 0.287 32.158 31.823 0.080 0.000 0.958 290 V HN 0.346 nan 8.190 nan 0.000 0.481 291 L N 8.049 129.159 121.223 -0.188 0.000 2.452 291 L HA 0.318 4.664 4.340 0.009 0.000 0.267 291 L C -1.680 174.922 176.870 -0.447 0.000 1.188 291 L CA -1.387 53.193 54.840 -0.433 0.000 0.821 291 L CB 0.930 42.778 42.059 -0.352 0.000 1.102 291 L HN 0.487 nan 8.230 nan 0.000 0.470 292 P HA 0.173 nan 4.420 nan 0.000 0.276 292 P C -1.040 176.080 177.300 -0.300 0.000 1.252 292 P CA -0.640 62.177 63.100 -0.471 0.000 0.802 292 P CB 0.941 32.239 31.700 -0.671 0.000 1.035 293 L N 1.513 122.644 121.223 -0.152 0.000 2.312 293 L HA 0.304 4.650 4.340 0.009 0.000 0.281 293 L C 0.064 176.886 176.870 -0.080 0.000 1.070 293 L CA -0.410 54.397 54.840 -0.056 0.000 0.805 293 L CB 0.174 42.279 42.059 0.075 0.000 1.174 293 L HN 0.245 nan 8.230 nan 0.000 0.434 294 L N 5.249 126.418 121.223 -0.091 0.000 2.294 294 L HA 0.525 4.871 4.340 0.009 0.000 0.283 294 L C -0.633 176.138 176.870 -0.165 0.000 1.015 294 L CA -0.033 54.671 54.840 -0.227 0.000 0.831 294 L CB 0.916 42.767 42.059 -0.346 0.000 1.217 294 L HN 0.380 nan 8.230 nan 0.000 0.420 295 L N 3.902 125.055 121.223 -0.118 0.000 2.346 295 L HA 0.599 4.944 4.340 0.009 0.000 0.276 295 L C -0.358 176.451 176.870 -0.102 0.000 1.006 295 L CA -0.580 54.242 54.840 -0.030 0.000 0.817 295 L CB 2.031 44.133 42.059 0.072 0.000 1.272 295 L HN 0.531 nan 8.230 nan 0.000 0.421 296 Q N 2.511 122.276 119.800 -0.058 0.000 2.320 296 Q HA 0.686 5.032 4.340 0.009 0.000 0.268 296 Q C -1.069 174.860 176.000 -0.118 0.000 1.023 296 Q CA -0.507 55.253 55.803 -0.072 0.000 0.744 296 Q CB 2.063 30.858 28.738 0.095 0.000 1.246 296 Q HN 0.789 nan 8.270 nan 0.000 0.462 297 A N 4.898 127.600 122.820 -0.197 0.000 2.286 297 A HA 0.646 4.971 4.320 0.009 0.000 0.286 297 A C -2.386 174.928 177.584 -0.450 0.000 1.097 297 A CA -1.543 50.210 52.037 -0.474 0.000 0.821 297 A CB 0.043 18.879 19.000 -0.274 0.000 1.076 297 A HN 0.638 nan 8.150 nan 0.000 0.490 298 P HA 0.034 nan 4.420 nan 0.000 0.261 298 P C -0.562 176.640 177.300 -0.164 0.000 1.173 298 P CA 0.907 63.801 63.100 -0.344 0.000 0.760 298 P CB 0.151 31.660 31.700 -0.319 0.000 0.783 299 D N -0.339 120.009 120.400 -0.087 0.000 3.059 299 D HA -0.190 4.456 4.640 0.009 0.000 0.220 299 D C -0.059 176.225 176.300 -0.027 0.000 1.169 299 D CA 1.268 55.247 54.000 -0.036 0.000 0.902 299 D CB -0.959 39.823 40.800 -0.029 0.000 1.116 299 D HN 0.558 nan 8.370 nan 0.000 0.417 300 E N -0.496 119.678 120.200 -0.043 0.000 2.263 300 E HA 0.650 5.006 4.350 0.009 0.000 0.264 300 E C -0.028 176.557 176.600 -0.024 0.000 0.923 300 E CA -0.746 55.632 56.400 -0.037 0.000 0.802 300 E CB 1.721 31.383 29.700 -0.062 0.000 1.228 300 E HN 0.158 nan 8.360 nan 0.000 0.417 301 A N 2.821 125.625 122.820 -0.026 0.000 2.483 301 A HA 0.241 4.566 4.320 0.009 0.000 0.238 301 A C -2.131 175.358 177.584 -0.158 0.000 1.070 301 A CA -0.849 51.161 52.037 -0.044 0.000 0.770 301 A CB -0.379 18.612 19.000 -0.016 0.000 1.008 301 A HN 0.280 nan 8.150 nan 0.000 0.497 302 P HA 0.275 nan 4.420 nan 0.000 0.281 302 P C -0.681 176.361 177.300 -0.430 0.000 1.252 302 P CA -0.032 62.728 63.100 -0.566 0.000 0.778 302 P CB 0.844 31.730 31.700 -1.356 0.000 0.895 303 E N 1.315 121.336 120.200 -0.297 0.000 2.248 303 E HA 0.431 4.786 4.350 0.009 0.000 0.272 303 E C -0.643 175.666 176.600 -0.485 0.000 1.008 303 E CA -0.966 55.225 56.400 -0.348 0.000 0.856 303 E CB 1.055 30.584 29.700 -0.284 0.000 1.120 303 E HN 0.292 nan 8.360 nan 0.000 0.397 304 L N 2.882 123.698 121.223 -0.678 0.000 2.282 304 L HA 0.448 4.793 4.340 0.009 0.000 0.288 304 L C -1.691 174.631 176.870 -0.913 0.000 1.033 304 L CA -0.008 54.487 54.840 -0.575 0.000 0.807 304 L CB 0.232 42.086 42.059 -0.341 0.000 1.209 304 L HN 0.395 nan 8.230 nan 0.000 0.423 305 F N 4.457 124.179 119.950 -0.381 0.000 2.539 305 F HA 0.493 5.026 4.527 0.011 0.000 0.318 305 F C -0.241 175.296 175.800 -0.437 0.000 1.135 305 F CA -0.975 56.654 58.000 -0.618 0.000 0.915 305 F CB 1.866 40.125 39.000 -1.236 0.000 1.176 305 F HN 0.064 nan 8.300 nan 0.000 0.440 306 V N 4.598 124.417 119.914 -0.158 0.000 2.530 306 V HA 0.212 4.338 4.120 0.009 0.000 0.282 306 V C 0.219 176.410 176.094 0.162 0.000 1.048 306 V CA -0.694 61.602 62.300 -0.007 0.000 0.997 306 V CB 0.983 32.842 31.823 0.059 0.000 0.987 306 V HN 0.524 nan 8.190 nan 0.000 0.477 307 L N 7.344 128.687 121.223 0.199 0.000 2.360 307 L HA 0.308 4.654 4.340 0.009 0.000 0.276 307 L C -2.058 174.921 176.870 0.182 0.000 1.121 307 L CA -1.439 53.563 54.840 0.270 0.000 0.845 307 L CB 0.291 42.435 42.059 0.143 0.000 1.143 307 L HN 0.458 nan 8.230 nan 0.000 0.452 308 P HA 0.064 nan 4.420 nan 0.000 0.264 308 P C -2.085 175.267 177.300 0.087 0.000 1.193 308 P CA -0.991 62.183 63.100 0.123 0.000 0.763 308 P CB 0.252 32.014 31.700 0.103 0.000 0.810 309 P HA -0.202 nan 4.420 nan 0.000 0.218 309 P C 1.390 178.722 177.300 0.052 0.000 1.148 309 P CA 1.270 64.411 63.100 0.069 0.000 0.822 309 P CB -0.199 31.544 31.700 0.072 0.000 0.784 310 E N -0.326 119.900 120.200 0.045 0.000 2.331 310 E HA -0.172 4.184 4.350 0.009 0.000 0.199 310 E C 1.502 178.118 176.600 0.026 0.000 1.008 310 E CA 1.118 57.537 56.400 0.031 0.000 0.843 310 E CB -0.972 28.743 29.700 0.026 0.000 0.761 310 E HN 0.235 nan 8.360 nan 0.000 0.507 311 L N 0.867 122.107 121.223 0.027 0.000 2.375 311 L HA 0.050 4.396 4.340 0.009 0.000 0.215 311 L C 0.730 177.614 176.870 0.024 0.000 1.108 311 L CA 0.533 55.383 54.840 0.018 0.000 0.830 311 L CB 0.564 42.625 42.059 0.004 0.000 0.959 311 L HN -0.097 nan 8.230 nan 0.000 0.457 312 V N 1.497 121.429 119.914 0.030 0.000 2.304 312 V HA 0.184 4.309 4.120 0.009 0.000 0.262 312 V C -0.053 176.071 176.094 0.051 0.000 1.061 312 V CA -0.801 61.515 62.300 0.027 0.000 0.872 312 V CB 0.853 32.680 31.823 0.007 0.000 1.077 312 V HN -0.018 nan 8.190 nan 0.000 0.480 313 L N 5.670 126.932 121.223 0.065 0.000 2.410 313 L HA 0.368 4.714 4.340 0.009 0.000 0.273 313 L C 0.285 177.211 176.870 0.092 0.000 1.144 313 L CA 0.843 55.720 54.840 0.063 0.000 0.863 313 L CB 0.225 42.319 42.059 0.058 0.000 1.140 313 L HN 0.658 nan 8.230 nan 0.000 0.463 314 E N 3.298 123.529 120.200 0.052 0.000 2.320 314 E HA 0.617 4.972 4.350 0.009 0.000 0.264 314 E C -1.414 175.137 176.600 -0.082 0.000 0.923 314 E CA -1.065 55.360 56.400 0.042 0.000 0.796 314 E CB 2.379 32.126 29.700 0.080 0.000 1.262 314 E HN 0.333 nan 8.360 nan 0.000 0.428 315 V N 2.556 122.374 119.914 -0.160 0.000 2.407 315 V HA 0.308 4.433 4.120 0.009 0.000 0.291 315 V C -2.449 173.543 176.094 -0.170 0.000 1.018 315 V CA -2.019 60.104 62.300 -0.295 0.000 0.842 315 V CB 1.278 32.634 31.823 -0.779 0.000 0.996 315 V HN 0.520 nan 8.190 nan 0.000 0.426 316 P HA 0.326 nan 4.420 nan 0.000 0.275 316 P C -0.697 176.583 177.300 -0.034 0.000 1.227 316 P CA -0.180 62.868 63.100 -0.087 0.000 0.781 316 P CB 0.666 32.328 31.700 -0.064 0.000 0.906 317 L N 3.291 124.542 121.223 0.046 0.000 2.289 317 L HA 0.472 4.817 4.340 0.009 0.000 0.285 317 L C 0.976 177.999 176.870 0.254 0.000 1.049 317 L CA -0.252 54.686 54.840 0.163 0.000 0.804 317 L CB 0.698 42.941 42.059 0.306 0.000 1.195 317 L HN 0.497 nan 8.230 nan 0.000 0.428 318 E N 1.678 121.973 120.200 0.159 0.000 2.433 318 E HA 0.433 4.789 4.350 0.009 0.000 0.273 318 E C -1.269 175.324 176.600 -0.012 0.000 0.950 318 E CA -0.950 55.559 56.400 0.181 0.000 0.796 318 E CB 2.200 31.987 29.700 0.144 0.000 1.330 318 E HN 0.465 nan 8.360 nan 0.000 0.455 319 H N 0.854 119.780 119.070 -0.240 0.000 2.479 319 H HA 0.213 4.775 4.556 0.009 0.000 0.335 319 H C -1.705 173.387 175.328 -0.393 0.000 1.142 319 H CA -2.321 53.468 56.048 -0.431 0.000 1.234 319 H CB 1.978 31.385 29.762 -0.592 0.000 1.503 319 H HN 0.421 nan 8.280 nan 0.000 0.510 320 P HA -0.119 nan 4.420 nan 0.000 0.219 320 P C 0.936 178.024 177.300 -0.354 0.000 1.146 320 P CA 1.751 64.305 63.100 -0.910 0.000 0.808 320 P CB 0.433 31.590 31.700 -0.906 0.000 0.779 321 T N -5.518 108.983 114.554 -0.088 0.000 3.051 321 T HA 0.178 4.533 4.350 0.009 0.000 0.254 321 T C 0.647 175.314 174.700 -0.053 0.000 0.916 321 T CA -0.237 61.846 62.100 -0.028 0.000 0.894 321 T CB -0.585 68.274 68.868 -0.015 0.000 1.251 321 T HN -0.085 nan 8.240 nan 0.000 0.517 322 L N 2.715 123.883 121.223 -0.091 0.000 2.363 322 L HA 0.396 4.741 4.340 0.009 0.000 0.286 322 L C 1.319 177.819 176.870 -0.616 0.000 1.106 322 L CA -0.199 54.279 54.840 -0.603 0.000 0.859 322 L CB 0.671 42.028 42.059 -1.170 0.000 1.223 322 L HN 0.285 nan 8.230 nan 0.000 0.446 323 E N 3.807 123.770 120.200 -0.395 0.000 2.152 323 E HA -0.154 4.201 4.350 0.009 0.000 0.192 323 E C 1.580 178.140 176.600 -0.066 0.000 0.983 323 E CA 1.075 57.386 56.400 -0.148 0.000 0.818 323 E CB 0.084 29.773 29.700 -0.019 0.000 0.758 323 E HN 0.806 nan 8.360 nan 0.000 0.467 324 W N -0.097 121.261 121.300 0.096 0.000 2.525 324 W HA -0.077 4.589 4.660 0.010 0.000 0.259 324 W C 1.478 178.064 176.519 0.111 0.000 1.253 324 W CA -0.145 57.246 57.345 0.077 0.000 1.262 324 W CB -0.801 28.682 29.460 0.039 0.000 1.122 324 W HN -0.036 nan 8.180 nan 0.000 0.607 325 F N 3.021 122.838 119.950 -0.222 0.000 2.171 325 F HA -0.048 4.484 4.527 0.009 0.000 0.300 325 F C 2.639 178.485 175.800 0.076 0.000 1.090 325 F CA 2.425 60.385 58.000 -0.067 0.000 1.293 325 F CB -0.656 38.131 39.000 -0.355 0.000 1.013 325 F HN -0.090 nan 8.300 nan 0.000 0.486 326 A N 0.141 123.133 122.820 0.286 0.000 2.024 326 A HA -0.097 4.229 4.320 0.009 0.000 0.220 326 A C 2.323 179.984 177.584 0.129 0.000 1.164 326 A CA 1.579 53.737 52.037 0.203 0.000 0.643 326 A CB -1.430 17.652 19.000 0.136 0.000 0.806 326 A HN 0.438 nan 8.150 nan 0.000 0.451 327 A N -0.844 122.061 122.820 0.141 0.000 2.119 327 A HA 0.140 4.466 4.320 0.009 0.000 0.217 327 A C 1.697 179.322 177.584 0.069 0.000 1.153 327 A CA 1.021 53.124 52.037 0.109 0.000 0.692 327 A CB -0.328 18.755 19.000 0.138 0.000 0.799 327 A HN 0.360 nan 8.150 nan 0.000 0.458 328 L N -0.956 120.282 121.223 0.025 0.000 2.265 328 L HA 0.010 4.356 4.340 0.009 0.000 0.215 328 L C 2.017 178.897 176.870 0.018 0.000 1.117 328 L CA 1.531 56.354 54.840 -0.028 0.000 0.782 328 L CB -1.837 40.109 42.059 -0.189 0.000 0.914 328 L HN 0.682 nan 8.230 nan 0.000 0.441 329 G N -0.686 108.127 108.800 0.021 0.000 2.148 329 G HA2 -0.290 3.675 3.960 0.009 0.000 0.254 329 G HA3 -0.290 3.675 3.960 0.009 0.000 0.254 329 G C 0.479 175.363 174.900 -0.026 0.000 0.981 329 G CA 0.329 45.446 45.100 0.028 0.000 0.670 329 G HN 0.341 nan 8.290 nan 0.000 0.528 330 L N 0.171 121.368 121.223 -0.043 0.000 2.467 330 L HA 0.620 4.966 4.340 0.009 0.000 0.270 330 L C 1.201 177.866 176.870 -0.342 0.000 1.205 330 L CA 0.079 54.825 54.840 -0.155 0.000 0.828 330 L CB 0.500 42.572 42.059 0.022 0.000 1.101 330 L HN 0.596 nan 8.230 nan 0.000 0.479 331 R N 1.512 121.644 120.500 -0.614 0.000 2.728 331 R HA 0.432 4.778 4.340 0.009 0.000 0.274 331 R C -2.178 174.081 176.300 -0.068 0.000 1.032 331 R CA -0.977 54.892 56.100 -0.385 0.000 0.866 331 R CB 1.511 31.493 30.300 -0.531 0.000 1.263 331 R HN 0.674 nan 8.270 nan 0.000 0.475 332 W N 1.515 122.759 121.300 -0.093 0.000 3.042 332 W HA 0.429 5.094 4.660 0.009 0.000 0.342 332 W C -1.189 175.415 176.519 0.143 0.000 1.240 332 W CA -0.927 56.460 57.345 0.071 0.000 1.166 332 W CB 2.170 31.615 29.460 -0.025 0.000 1.469 332 W HN 0.675 nan 8.180 nan 0.000 0.579 333 Y N 0.276 120.618 120.300 0.070 0.000 2.432 333 Y HA 0.663 5.219 4.550 0.009 0.000 0.322 333 Y C 0.651 176.829 175.900 0.463 0.000 1.246 333 Y CA -0.269 57.911 58.100 0.134 0.000 1.268 333 Y CB 0.312 38.715 38.460 -0.094 0.000 1.276 333 Y HN 0.325 nan 8.280 nan 0.000 0.499 334 A N 1.207 124.356 122.820 0.548 0.000 1.943 334 A HA 0.128 4.454 4.320 0.009 0.000 0.213 334 A C 0.403 178.346 177.584 0.600 0.000 1.181 334 A CA 0.348 52.732 52.037 0.579 0.000 0.653 334 A CB -0.269 18.922 19.000 0.318 0.000 0.833 334 A HN 0.651 nan 8.150 nan 0.000 0.451 335 L N 2.175 123.715 121.223 0.529 0.000 2.264 335 L HA 0.404 4.750 4.340 0.009 0.000 0.287 335 L C -2.549 174.482 176.870 0.268 0.000 1.039 335 L CA -2.298 52.729 54.840 0.313 0.000 0.829 335 L CB 1.356 43.535 42.059 0.200 0.000 1.211 335 L HN -0.030 nan 8.230 nan 0.000 0.427 336 P HA 0.233 nan 4.420 nan 0.000 0.277 336 P C -1.203 176.015 177.300 -0.137 0.000 1.354 336 P CA -0.162 62.808 63.100 -0.216 0.000 0.891 336 P CB 0.922 32.100 31.700 -0.870 0.000 1.058 337 A N 4.688 127.443 122.820 -0.109 0.000 2.536 337 A HA 0.397 4.723 4.320 0.009 0.000 0.329 337 A C -0.102 177.276 177.584 -0.344 0.000 1.321 337 A CA -0.662 51.241 52.037 -0.223 0.000 0.804 337 A CB 0.594 19.494 19.000 -0.167 0.000 1.126 337 A HN 0.293 nan 8.150 nan 0.000 0.480 338 V N 2.555 122.106 119.914 -0.605 0.000 2.614 338 V HA 0.261 4.387 4.120 0.009 0.000 0.291 338 V C 1.154 176.882 176.094 -0.610 0.000 1.049 338 V CA 1.163 63.088 62.300 -0.624 0.000 1.038 338 V CB 1.324 32.641 31.823 -0.843 0.000 0.980 338 V HN 1.044 nan 8.190 nan 0.000 0.481 339 S N 1.554 117.080 115.700 -0.290 0.000 2.733 339 S HA 0.043 4.518 4.470 0.009 0.000 0.247 339 S C 0.794 175.378 174.600 -0.026 0.000 1.043 339 S CA 0.054 58.163 58.200 -0.153 0.000 1.066 339 S CB -0.325 62.819 63.200 -0.093 0.000 1.045 339 S HN 0.917 nan 8.310 nan 0.000 0.586 340 N N 0.633 119.322 118.700 -0.018 0.000 2.238 340 N HA 0.290 5.035 4.740 0.009 0.000 0.222 340 N C 0.065 175.630 175.510 0.092 0.000 1.133 340 N CA -0.451 52.621 53.050 0.037 0.000 0.854 340 N CB 0.097 38.593 38.487 0.014 0.000 1.041 340 N HN 0.250 nan 8.380 nan 0.000 0.510 341 M N 1.427 121.111 119.600 0.140 0.000 2.314 341 M HA 0.273 4.758 4.480 0.009 0.000 0.342 341 M C -0.433 176.042 176.300 0.291 0.000 1.171 341 M CA -0.771 54.683 55.300 0.256 0.000 1.098 341 M CB 2.342 35.150 32.600 0.347 0.000 1.559 341 M HN 0.175 nan 8.290 nan 0.000 0.459 342 L N 3.498 124.877 121.223 0.260 0.000 2.312 342 L HA 0.472 4.817 4.340 0.009 0.000 0.281 342 L C -1.191 175.826 176.870 0.245 0.000 1.070 342 L CA -0.749 54.222 54.840 0.217 0.000 0.805 342 L CB 0.947 43.082 42.059 0.127 0.000 1.174 342 L HN 0.607 nan 8.230 nan 0.000 0.434 343 L N 5.355 126.709 121.223 0.217 0.000 2.294 343 L HA 0.465 4.810 4.340 0.009 0.000 0.283 343 L C -0.600 176.306 176.870 0.059 0.000 1.015 343 L CA 0.116 54.970 54.840 0.023 0.000 0.831 343 L CB 1.192 43.239 42.059 -0.020 0.000 1.217 343 L HN 0.624 nan 8.230 nan 0.000 0.420 344 E N 6.440 126.599 120.200 -0.069 0.000 2.151 344 E HA 0.442 4.798 4.350 0.009 0.000 0.275 344 E C -1.537 174.997 176.600 -0.110 0.000 0.936 344 E CA -0.446 55.931 56.400 -0.039 0.000 0.777 344 E CB 1.257 30.931 29.700 -0.044 0.000 1.108 344 E HN 0.751 nan 8.360 nan 0.000 0.401 345 I N 2.447 122.960 120.570 -0.095 0.000 2.548 345 I HA 0.225 4.400 4.170 0.009 0.000 0.287 345 I C 0.669 176.616 176.117 -0.284 0.000 1.103 345 I CA -0.843 60.286 61.300 -0.284 0.000 1.049 345 I CB 2.006 39.763 38.000 -0.405 0.000 1.232 345 I HN 0.793 nan 8.210 nan 0.000 0.429 346 G N 4.300 112.971 108.800 -0.214 0.000 2.441 346 G HA2 -0.117 3.849 3.960 0.009 0.000 0.298 346 G HA3 -0.117 3.849 3.960 0.009 0.000 0.298 346 G C 1.093 176.058 174.900 0.109 0.000 0.949 346 G CA 1.052 46.185 45.100 0.055 0.000 1.072 346 G HN 1.560 nan 8.290 nan 0.000 0.512 347 G N -1.651 107.173 108.800 0.040 0.000 2.320 347 G HA2 -0.284 3.682 3.960 0.009 0.000 0.242 347 G HA3 -0.284 3.682 3.960 0.009 0.000 0.242 347 G C 0.665 175.548 174.900 -0.027 0.000 1.033 347 G CA 0.452 45.575 45.100 0.038 0.000 0.620 347 G HN 1.313 nan 8.290 nan 0.000 0.517 348 L N 1.120 122.287 121.223 -0.092 0.000 2.456 348 L HA 0.466 4.811 4.340 0.009 0.000 0.272 348 L C 0.356 177.088 176.870 -0.231 0.000 1.189 348 L CA 0.202 54.887 54.840 -0.259 0.000 0.846 348 L CB 0.589 42.404 42.059 -0.407 0.000 1.111 348 L HN 0.288 nan 8.230 nan 0.000 0.475 349 E N 3.014 123.008 120.200 -0.344 0.000 2.191 349 E HA 0.365 4.721 4.350 0.009 0.000 0.263 349 E C -1.442 174.943 176.600 -0.358 0.000 0.881 349 E CA -0.402 55.874 56.400 -0.206 0.000 0.757 349 E CB 1.510 31.147 29.700 -0.106 0.000 1.147 349 E HN 0.262 nan 8.360 nan 0.000 0.414 350 F N 2.100 122.037 119.950 -0.021 0.000 2.291 350 F HA 0.105 4.638 4.527 0.010 0.000 0.368 350 F C 1.561 177.411 175.800 0.083 0.000 1.085 350 F CA -0.557 57.456 58.000 0.022 0.000 1.165 350 F CB 1.013 40.009 39.000 -0.007 0.000 1.429 350 F HN 0.448 nan 8.300 nan 0.000 0.503 351 S N 1.335 117.147 115.700 0.187 0.000 2.474 351 S HA 0.112 4.587 4.470 0.009 0.000 0.235 351 S C 0.881 175.619 174.600 0.230 0.000 0.997 351 S CA 0.442 58.749 58.200 0.179 0.000 0.949 351 S CB -0.029 63.249 63.200 0.130 0.000 0.766 351 S HN 0.495 nan 8.310 nan 0.000 0.517 352 A N 0.501 123.503 122.820 0.303 0.000 2.545 352 A HA 0.820 5.145 4.320 0.009 0.000 0.300 352 A C -0.145 177.701 177.584 0.437 0.000 1.252 352 A CA -0.175 52.065 52.037 0.339 0.000 0.753 352 A CB 0.755 19.929 19.000 0.289 0.000 1.144 352 A HN 0.900 nan 8.150 nan 0.000 0.457 353 A N 4.043 127.065 122.820 0.337 0.000 3.409 353 A HA 0.660 4.986 4.320 0.009 0.000 0.282 353 A C -2.991 174.758 177.584 0.275 0.000 1.064 353 A CA -1.093 51.109 52.037 0.274 0.000 0.889 353 A CB 0.422 19.581 19.000 0.265 0.000 1.251 353 A HN 0.483 nan 8.150 nan 0.000 0.538 354 P HA 0.455 nan 4.420 nan 0.000 0.271 354 P C -0.767 176.539 177.300 0.011 0.000 1.216 354 P CA 0.309 63.381 63.100 -0.046 0.000 0.771 354 P CB 0.430 32.051 31.700 -0.132 0.000 0.864 355 F N -0.372 119.525 119.950 -0.087 0.000 2.603 355 F HA 0.798 5.330 4.527 0.008 0.000 0.317 355 F C -0.728 175.006 175.800 -0.110 0.000 1.066 355 F CA -1.213 56.752 58.000 -0.058 0.000 0.941 355 F CB 1.652 40.532 39.000 -0.200 0.000 1.291 355 F HN 0.405 nan 8.300 nan 0.000 0.472 356 S N 0.190 115.995 115.700 0.175 0.000 2.541 356 S HA 0.910 5.385 4.470 0.009 0.000 0.271 356 S C -0.805 173.777 174.600 -0.029 0.000 1.133 356 S CA -0.138 58.093 58.200 0.052 0.000 0.876 356 S CB 1.392 64.699 63.200 0.179 0.000 1.105 356 S HN 1.496 nan 8.310 nan 0.000 0.470 357 G N 0.402 109.125 108.800 -0.128 0.000 3.377 357 G HA2 0.771 4.736 3.960 0.009 0.000 0.182 357 G HA3 0.771 4.736 3.960 0.009 0.000 0.182 357 G C -1.402 173.472 174.900 -0.042 0.000 1.166 357 G CA -0.401 44.531 45.100 -0.279 0.000 0.771 357 G HN 1.118 nan 8.290 nan 0.000 0.701 358 W N -1.681 119.613 121.300 -0.009 0.000 3.029 358 W HA 0.794 5.458 4.660 0.007 0.000 0.339 358 W C -1.666 174.831 176.519 -0.037 0.000 1.198 358 W CA -2.198 55.144 57.345 -0.005 0.000 1.148 358 W CB 0.415 29.920 29.460 0.075 0.000 1.451 358 W HN 0.383 nan 8.180 nan 0.000 0.564 359 Y N 2.654 123.137 120.300 0.306 0.000 2.497 359 Y HA 0.160 4.716 4.550 0.010 0.000 0.334 359 Y C 1.009 176.973 175.900 0.107 0.000 1.199 359 Y CA -0.365 57.795 58.100 0.099 0.000 1.425 359 Y CB 0.831 39.237 38.460 -0.090 0.000 1.291 359 Y HN 0.415 nan 8.280 nan 0.000 0.562 360 M N 2.762 122.518 119.600 0.260 0.000 2.180 360 M HA 0.112 4.598 4.480 0.009 0.000 0.358 360 M C 1.243 177.545 176.300 0.003 0.000 1.233 360 M CA -0.071 55.308 55.300 0.132 0.000 1.114 360 M CB 0.863 33.519 32.600 0.093 0.000 1.594 360 M HN 0.882 nan 8.290 nan 0.000 0.467 361 S N 1.359 117.018 115.700 -0.068 0.000 2.423 361 S HA -0.193 4.283 4.470 0.009 0.000 0.238 361 S C 1.438 175.922 174.600 -0.193 0.000 1.028 361 S CA 2.052 60.139 58.200 -0.188 0.000 1.000 361 S CB -1.247 61.883 63.200 -0.118 0.000 0.797 361 S HN 0.920 nan 8.310 nan 0.000 0.487 362 T N 0.113 114.594 114.554 -0.122 0.000 2.904 362 T HA 0.009 4.364 4.350 0.009 0.000 0.267 362 T C 1.572 176.136 174.700 -0.225 0.000 1.059 362 T CA 1.090 63.075 62.100 -0.192 0.000 1.137 362 T CB -0.543 68.186 68.868 -0.232 0.000 0.879 362 T HN 0.568 nan 8.240 nan 0.000 0.467 363 E N 1.043 121.126 120.200 -0.195 0.000 2.070 363 E HA -0.099 4.256 4.350 0.009 0.000 0.197 363 E C 2.059 178.402 176.600 -0.428 0.000 1.004 363 E CA 1.583 57.860 56.400 -0.206 0.000 0.805 363 E CB -0.347 29.350 29.700 -0.005 0.000 0.744 363 E HN 0.570 nan 8.360 nan 0.000 0.451 364 I N -0.025 120.144 120.570 -0.668 0.000 2.296 364 I HA -0.070 4.106 4.170 0.009 0.000 0.242 364 I C 2.524 178.289 176.117 -0.586 0.000 1.087 364 I CA 0.997 61.723 61.300 -0.957 0.000 1.393 364 I CB -0.318 37.019 38.000 -1.104 0.000 1.093 364 I HN 0.119 nan 8.210 nan 0.000 0.421 365 G N -0.239 108.326 108.800 -0.391 0.000 2.448 365 G HA2 -0.113 3.852 3.960 0.009 0.000 0.218 365 G HA3 -0.113 3.852 3.960 0.009 0.000 0.218 365 G C 1.567 176.365 174.900 -0.169 0.000 1.135 365 G CA 1.250 46.218 45.100 -0.221 0.000 0.784 365 G HN 0.288 nan 8.290 nan 0.000 0.543 366 T N -0.165 114.266 114.554 -0.205 0.000 3.111 366 T HA 0.124 4.479 4.350 0.009 0.000 0.236 366 T C 2.474 177.072 174.700 -0.170 0.000 0.984 366 T CA 0.053 62.051 62.100 -0.170 0.000 1.195 366 T CB 0.133 68.885 68.868 -0.193 0.000 0.929 366 T HN -0.016 nan 8.240 nan 0.000 0.431 367 R N 2.173 122.552 120.500 -0.201 0.000 2.056 367 R HA 0.132 4.478 4.340 0.009 0.000 0.227 367 R C 2.164 178.359 176.300 -0.176 0.000 1.149 367 R CA 1.121 57.112 56.100 -0.181 0.000 0.937 367 R CB -1.189 29.010 30.300 -0.169 0.000 0.835 367 R HN 0.340 nan 8.270 nan 0.000 0.430 368 N N 1.143 119.696 118.700 -0.246 0.000 2.104 368 N HA -0.109 4.637 4.740 0.009 0.000 0.190 368 N C 1.988 177.455 175.510 -0.072 0.000 1.024 368 N CA 1.141 54.062 53.050 -0.215 0.000 0.853 368 N CB -0.276 37.815 38.487 -0.660 0.000 1.008 368 N HN 0.224 nan 8.380 nan 0.000 0.424 369 L N -0.720 120.406 121.223 -0.161 0.000 2.307 369 L HA 0.088 4.434 4.340 0.009 0.000 0.211 369 L C 1.493 178.401 176.870 0.063 0.000 1.099 369 L CA 0.428 55.268 54.840 0.001 0.000 0.816 369 L CB 0.067 42.105 42.059 -0.036 0.000 0.952 369 L HN 0.150 nan 8.230 nan 0.000 0.455 370 C N -1.695 117.599 119.300 -0.009 0.000 3.065 370 C HA 0.172 4.637 4.460 0.009 0.000 0.285 370 C C 0.773 175.749 174.990 -0.024 0.000 1.257 370 C CA -0.911 58.108 59.018 0.002 0.000 1.691 370 C CB -0.281 27.448 27.740 -0.020 0.000 2.089 370 C HN 0.297 nan 8.230 nan 0.000 0.630 371 D N 2.558 122.909 120.400 -0.083 0.000 2.488 371 D HA 0.057 4.702 4.640 0.009 0.000 0.238 371 D C -1.393 174.863 176.300 -0.074 0.000 1.138 371 D CA -1.064 52.847 54.000 -0.148 0.000 0.873 371 D CB 0.657 41.205 40.800 -0.420 0.000 1.183 371 D HN 0.144 nan 8.370 nan 0.000 0.458 372 P HA -0.135 nan 4.420 nan 0.000 0.219 372 P C 0.690 178.061 177.300 0.119 0.000 1.146 372 P CA 1.274 64.436 63.100 0.104 0.000 0.808 372 P CB -0.008 31.780 31.700 0.146 0.000 0.779 373 H N -3.057 116.020 119.070 0.011 0.000 2.520 373 H HA 0.358 4.919 4.556 0.009 0.000 0.284 373 H C 0.966 176.295 175.328 0.001 0.000 1.037 373 H CA -0.209 55.842 56.048 0.004 0.000 1.168 373 H CB 0.132 29.897 29.762 0.005 0.000 1.497 373 H HN -0.034 nan 8.280 nan 0.000 0.547 374 R N 0.007 120.395 120.500 -0.186 0.000 2.647 374 R HA 0.172 4.517 4.340 0.009 0.000 0.124 374 R C 1.226 177.465 176.300 -0.102 0.000 1.294 374 R CA -0.633 55.400 56.100 -0.113 0.000 1.060 374 R CB -0.885 29.390 30.300 -0.043 0.000 1.282 374 R HN 0.093 nan 8.270 nan 0.000 0.430 375 Y N 1.676 121.986 120.300 0.017 0.000 2.333 375 Y HA -0.079 4.477 4.550 0.009 0.000 0.290 375 Y C 0.807 176.725 175.900 0.030 0.000 1.144 375 Y CA 1.500 59.624 58.100 0.040 0.000 1.228 375 Y CB -0.224 38.298 38.460 0.103 0.000 0.985 375 Y HN 0.550 nan 8.280 nan 0.000 0.542 376 N N 0.699 119.477 118.700 0.131 0.000 2.725 376 N HA -0.225 4.521 4.740 0.009 0.000 0.251 376 N C 0.493 176.076 175.510 0.122 0.000 1.031 376 N CA 0.357 53.463 53.050 0.093 0.000 0.720 376 N CB -1.071 37.453 38.487 0.062 0.000 0.930 376 N HN 0.618 nan 8.380 nan 0.000 0.543 377 I N -3.386 117.270 120.570 0.143 0.000 3.793 377 I HA 0.020 4.196 4.170 0.009 0.000 0.315 377 I C 1.737 177.940 176.117 0.142 0.000 1.275 377 I CA -0.355 61.028 61.300 0.140 0.000 1.214 377 I CB -0.004 38.083 38.000 0.146 0.000 1.018 377 I HN 0.077 nan 8.210 nan 0.000 0.439 378 L N 1.689 123.007 121.223 0.159 0.000 2.013 378 L HA -0.212 4.133 4.340 0.009 0.000 0.212 378 L C 2.578 179.637 176.870 0.315 0.000 1.073 378 L CA 1.998 56.968 54.840 0.215 0.000 0.753 378 L CB -1.015 41.150 42.059 0.176 0.000 0.890 378 L HN 0.489 nan 8.230 nan 0.000 0.432 379 E N -0.927 119.453 120.200 0.299 0.000 2.028 379 E HA -0.226 4.129 4.350 0.009 0.000 0.191 379 E C 1.777 178.406 176.600 0.048 0.000 0.988 379 E CA 1.241 57.749 56.400 0.180 0.000 0.799 379 E CB 0.048 29.804 29.700 0.094 0.000 0.755 379 E HN 0.451 nan 8.360 nan 0.000 0.447 380 D N 0.143 120.570 120.400 0.045 0.000 2.154 380 D HA -0.199 4.446 4.640 0.009 0.000 0.190 380 D C 2.028 178.313 176.300 -0.025 0.000 1.003 380 D CA 1.414 55.410 54.000 -0.006 0.000 0.849 380 D CB -0.379 40.430 40.800 0.015 0.000 0.942 380 D HN 0.129 nan 8.370 nan 0.000 0.446 381 V N 1.096 121.045 119.914 0.059 0.000 2.379 381 V HA -0.162 3.964 4.120 0.009 0.000 0.245 381 V C 2.478 178.629 176.094 0.095 0.000 1.044 381 V CA 1.622 63.991 62.300 0.115 0.000 1.036 381 V CB -0.669 31.302 31.823 0.247 0.000 0.664 381 V HN 0.204 nan 8.190 nan 0.000 0.453 382 A N -0.399 122.498 122.820 0.129 0.000 2.019 382 A HA -0.131 4.194 4.320 0.009 0.000 0.219 382 A C 2.368 179.921 177.584 -0.053 0.000 1.164 382 A CA 1.775 53.881 52.037 0.115 0.000 0.644 382 A CB -0.520 18.636 19.000 0.260 0.000 0.805 382 A HN 0.336 nan 8.150 nan 0.000 0.449 383 V N -0.865 118.970 119.914 -0.131 0.000 2.307 383 V HA -0.305 3.821 4.120 0.009 0.000 0.245 383 V C 2.589 178.519 176.094 -0.273 0.000 1.045 383 V CA 2.076 64.257 62.300 -0.198 0.000 1.024 383 V CB -0.944 30.765 31.823 -0.190 0.000 0.651 383 V HN 0.714 nan 8.190 nan 0.000 0.449 384 C N -0.434 118.616 119.300 -0.416 0.000 2.419 384 C HA -0.146 4.320 4.460 0.009 0.000 0.281 384 C C 2.674 177.241 174.990 -0.706 0.000 1.336 384 C CA 0.963 59.469 59.018 -0.853 0.000 1.770 384 C CB -1.081 25.718 27.740 -1.568 0.000 1.929 384 C HN 0.524 nan 8.230 nan 0.000 0.509 385 M N -0.379 119.061 119.600 -0.267 0.000 2.558 385 M HA 0.013 4.499 4.480 0.009 0.000 0.255 385 M C 0.717 177.011 176.300 -0.010 0.000 1.113 385 M CA 1.121 56.438 55.300 0.029 0.000 1.097 385 M CB -0.344 32.358 32.600 0.169 0.000 1.426 385 M HN 0.320 nan 8.290 nan 0.000 0.488 386 D N 0.753 121.097 120.400 -0.093 0.000 2.947 386 D HA -0.132 4.513 4.640 0.009 0.000 0.224 386 D C -0.766 175.505 176.300 -0.048 0.000 1.132 386 D CA 0.279 54.230 54.000 -0.083 0.000 0.801 386 D CB -0.944 39.819 40.800 -0.061 0.000 1.097 386 D HN 0.269 nan 8.370 nan 0.000 0.431 387 L N 0.024 121.223 121.223 -0.040 0.000 2.439 387 L HA 0.342 4.688 4.340 0.009 0.000 0.261 387 L C 0.887 177.694 176.870 -0.105 0.000 1.153 387 L CA -0.578 54.256 54.840 -0.011 0.000 0.808 387 L CB 0.539 42.651 42.059 0.088 0.000 1.126 387 L HN 0.064 nan 8.230 nan 0.000 0.460 388 D N 0.500 120.858 120.400 -0.070 0.000 2.402 388 D HA 0.018 4.664 4.640 0.009 0.000 0.235 388 D C 1.012 177.117 176.300 -0.325 0.000 1.226 388 D CA -0.192 53.727 54.000 -0.134 0.000 0.918 388 D CB 0.819 41.599 40.800 -0.033 0.000 1.043 388 D HN 0.598 nan 8.370 nan 0.000 0.506 389 T N 0.898 115.057 114.554 -0.659 0.000 3.129 389 T HA 0.077 4.433 4.350 0.009 0.000 0.251 389 T C 1.609 175.978 174.700 -0.553 0.000 1.117 389 T CA -0.017 61.259 62.100 -1.373 0.000 1.034 389 T CB 0.089 67.990 68.868 -1.612 0.000 0.968 389 T HN 0.108 nan 8.240 nan 0.000 0.526 390 R N 1.012 121.360 120.500 -0.254 0.000 2.235 390 R HA 0.213 4.558 4.340 0.009 0.000 0.213 390 R C 1.033 177.355 176.300 0.036 0.000 1.059 390 R CA 0.687 56.735 56.100 -0.087 0.000 0.997 390 R CB -0.125 30.132 30.300 -0.072 0.000 0.884 390 R HN 0.461 nan 8.270 nan 0.000 0.462 391 T N -2.500 112.119 114.554 0.109 0.000 2.903 391 T HA 0.190 4.545 4.350 0.009 0.000 0.299 391 T C 1.088 175.977 174.700 0.316 0.000 1.093 391 T CA -0.382 61.822 62.100 0.174 0.000 1.002 391 T CB 1.607 70.538 68.868 0.105 0.000 1.127 391 T HN 0.200 nan 8.240 nan 0.000 0.488 392 T N 0.083 114.764 114.554 0.212 0.000 2.942 392 T HA -0.023 4.333 4.350 0.009 0.000 0.265 392 T C 1.945 176.698 174.700 0.088 0.000 1.062 392 T CA 1.331 63.515 62.100 0.140 0.000 1.139 392 T CB -0.575 68.324 68.868 0.051 0.000 0.883 392 T HN 0.637 nan 8.240 nan 0.000 0.468 393 S N 1.991 117.747 115.700 0.093 0.000 2.607 393 S HA 0.024 4.499 4.470 0.009 0.000 0.224 393 S C 1.978 176.627 174.600 0.081 0.000 0.969 393 S CA 0.474 58.712 58.200 0.063 0.000 0.927 393 S CB -0.716 62.512 63.200 0.048 0.000 0.772 393 S HN 0.710 nan 8.310 nan 0.000 0.533 394 S N 1.612 117.398 115.700 0.144 0.000 2.562 394 S HA 0.237 4.712 4.470 0.009 0.000 0.221 394 S C 0.933 175.620 174.600 0.144 0.000 0.975 394 S CA -0.044 58.249 58.200 0.155 0.000 0.918 394 S CB -0.978 62.346 63.200 0.207 0.000 0.772 394 S HN 0.593 nan 8.310 nan 0.000 0.531 395 L N 0.816 122.087 121.223 0.080 0.000 3.839 395 L HA -0.185 4.160 4.340 0.009 0.000 0.416 395 L C 1.688 178.568 176.870 0.016 0.000 1.195 395 L CA 0.734 55.564 54.840 -0.016 0.000 0.946 395 L CB -2.508 39.549 42.059 -0.003 0.000 1.891 395 L HN 0.736 nan 8.230 nan 0.000 0.963 396 W N -0.019 121.291 121.300 0.017 0.000 2.374 396 W HA -0.164 4.502 4.660 0.009 0.000 0.288 396 W C 1.767 178.302 176.519 0.026 0.000 1.218 396 W CA 1.262 58.620 57.345 0.022 0.000 1.245 396 W CB -0.682 28.788 29.460 0.016 0.000 1.126 396 W HN 0.246 nan 8.180 nan 0.000 0.545 397 K N 1.061 121.036 120.400 -0.709 0.000 2.057 397 K HA -0.161 4.164 4.320 0.009 0.000 0.207 397 K C 1.551 178.025 176.600 -0.209 0.000 1.049 397 K CA 2.416 58.347 56.287 -0.593 0.000 0.931 397 K CB -0.268 31.737 32.500 -0.824 0.000 0.714 397 K HN 0.034 nan 8.250 nan 0.000 0.440 398 D N 0.275 120.572 120.400 -0.170 0.000 2.117 398 D HA -0.113 4.532 4.640 0.009 0.000 0.198 398 D C 1.535 177.834 176.300 -0.002 0.000 0.982 398 D CA 1.116 55.068 54.000 -0.079 0.000 0.828 398 D CB 0.053 40.811 40.800 -0.070 0.000 0.967 398 D HN 0.096 nan 8.370 nan 0.000 0.464 399 K N 0.655 121.080 120.400 0.042 0.000 2.032 399 K HA -0.066 4.259 4.320 0.009 0.000 0.209 399 K C 2.231 178.899 176.600 0.113 0.000 1.048 399 K CA 1.273 57.612 56.287 0.087 0.000 0.927 399 K CB -0.218 32.353 32.500 0.119 0.000 0.712 399 K HN 0.094 nan 8.250 nan 0.000 0.441 400 A N 1.511 124.418 122.820 0.146 0.000 1.902 400 A HA -0.109 4.216 4.320 0.009 0.000 0.217 400 A C 2.383 180.053 177.584 0.143 0.000 1.181 400 A CA 1.821 53.969 52.037 0.185 0.000 0.623 400 A CB -0.725 18.418 19.000 0.238 0.000 0.818 400 A HN 0.346 nan 8.150 nan 0.000 0.443 401 A N -0.635 122.231 122.820 0.076 0.000 1.972 401 A HA 0.012 4.338 4.320 0.009 0.000 0.219 401 A C 2.216 179.823 177.584 0.037 0.000 1.169 401 A CA 1.783 53.842 52.037 0.036 0.000 0.635 401 A CB -0.780 18.203 19.000 -0.030 0.000 0.810 401 A HN 0.363 nan 8.150 nan 0.000 0.446 402 V N 0.152 120.096 119.914 0.050 0.000 2.307 402 V HA -0.176 3.950 4.120 0.009 0.000 0.245 402 V C 2.538 178.683 176.094 0.084 0.000 1.045 402 V CA 2.007 64.342 62.300 0.058 0.000 1.024 402 V CB -0.664 31.197 31.823 0.063 0.000 0.651 402 V HN 0.503 nan 8.190 nan 0.000 0.449 403 E N 0.061 120.334 120.200 0.122 0.000 2.118 403 E HA -0.179 4.177 4.350 0.009 0.000 0.195 403 E C 2.097 178.775 176.600 0.131 0.000 0.992 403 E CA 1.352 57.857 56.400 0.175 0.000 0.804 403 E CB -0.349 29.429 29.700 0.131 0.000 0.741 403 E HN 0.588 nan 8.360 nan 0.000 0.458 404 I N 1.489 122.153 120.570 0.157 0.000 2.252 404 I HA -0.244 3.932 4.170 0.009 0.000 0.245 404 I C 2.191 178.328 176.117 0.033 0.000 1.102 404 I CA 0.775 62.177 61.300 0.171 0.000 1.385 404 I CB -0.294 37.849 38.000 0.239 0.000 1.064 404 I HN 0.067 nan 8.210 nan 0.000 0.414 405 N N 0.737 119.444 118.700 0.012 0.000 2.084 405 N HA -0.194 4.551 4.740 0.009 0.000 0.190 405 N C 1.935 177.426 175.510 -0.032 0.000 1.030 405 N CA 1.347 54.383 53.050 -0.024 0.000 0.849 405 N CB -0.237 38.245 38.487 -0.009 0.000 1.012 405 N HN 0.199 nan 8.380 nan 0.000 0.423 406 L N 1.545 122.749 121.223 -0.031 0.000 2.083 406 L HA -0.032 4.313 4.340 0.009 0.000 0.209 406 L C 2.229 178.994 176.870 -0.175 0.000 1.083 406 L CA 1.393 56.177 54.840 -0.093 0.000 0.752 406 L CB -0.781 41.207 42.059 -0.118 0.000 0.899 406 L HN 0.060 nan 8.230 nan 0.000 0.433 407 A N -1.141 121.540 122.820 -0.232 0.000 1.933 407 A HA -0.144 4.181 4.320 0.009 0.000 0.218 407 A C 2.261 179.788 177.584 -0.094 0.000 1.175 407 A CA 1.908 53.751 52.037 -0.324 0.000 0.628 407 A CB -1.064 17.424 19.000 -0.854 0.000 0.814 407 A HN 0.309 nan 8.150 nan 0.000 0.444 408 V N -0.097 119.791 119.914 -0.045 0.000 2.287 408 V HA -0.279 3.846 4.120 0.009 0.000 0.248 408 V C 2.576 178.722 176.094 0.086 0.000 1.053 408 V CA 2.117 64.436 62.300 0.032 0.000 1.027 408 V CB -0.779 30.974 31.823 -0.116 0.000 0.646 408 V HN 0.571 nan 8.190 nan 0.000 0.447 409 L N -0.694 120.529 121.223 0.001 0.000 2.027 409 L HA -0.200 4.146 4.340 0.009 0.000 0.206 409 L C 2.629 179.540 176.870 0.070 0.000 1.074 409 L CA 2.094 56.947 54.840 0.022 0.000 0.745 409 L CB -0.825 41.228 42.059 -0.010 0.000 0.898 409 L HN 0.461 nan 8.230 nan 0.000 0.433 410 H N -0.236 118.793 119.070 -0.069 0.000 2.319 410 H HA -0.163 4.399 4.556 0.010 0.000 0.299 410 H C 2.276 177.586 175.328 -0.030 0.000 1.092 410 H CA 2.073 58.067 56.048 -0.090 0.000 1.302 410 H CB -0.043 29.598 29.762 -0.201 0.000 1.373 410 H HN 0.189 nan 8.280 nan 0.000 0.497 411 S N -0.545 115.073 115.700 -0.136 0.000 2.387 411 S HA -0.068 4.407 4.470 0.009 0.000 0.226 411 S C 1.918 176.435 174.600 -0.137 0.000 1.026 411 S CA 0.965 59.048 58.200 -0.195 0.000 0.972 411 S CB -0.374 62.794 63.200 -0.052 0.000 0.814 411 S HN 0.315 nan 8.310 nan 0.000 0.477 412 F N 2.208 122.089 119.950 -0.116 0.000 2.146 412 F HA -0.077 4.456 4.527 0.008 0.000 0.298 412 F C 2.673 178.418 175.800 -0.091 0.000 1.096 412 F CA 1.057 59.016 58.000 -0.069 0.000 1.275 412 F CB -0.576 38.408 39.000 -0.026 0.000 1.008 412 F HN 0.196 nan 8.300 nan 0.000 0.480 413 Q N -0.295 119.541 119.800 0.059 0.000 2.020 413 Q HA -0.227 4.118 4.340 0.009 0.000 0.202 413 Q C 2.258 178.205 176.000 -0.089 0.000 0.982 413 Q CA 1.709 57.501 55.803 -0.018 0.000 0.838 413 Q CB -0.668 28.058 28.738 -0.019 0.000 0.899 413 Q HN 0.351 nan 8.270 nan 0.000 0.423 414 L N 0.789 121.898 121.223 -0.189 0.000 1.990 414 L HA -0.203 4.142 4.340 0.009 0.000 0.213 414 L C 2.102 178.883 176.870 -0.147 0.000 1.072 414 L CA 2.179 56.895 54.840 -0.207 0.000 0.755 414 L CB -0.607 41.236 42.059 -0.360 0.000 0.889 414 L HN 0.178 nan 8.230 nan 0.000 0.432 415 A N -1.299 121.422 122.820 -0.164 0.000 2.216 415 A HA -0.078 4.247 4.320 0.009 0.000 0.214 415 A C 0.810 178.332 177.584 -0.104 0.000 1.160 415 A CA 0.617 52.565 52.037 -0.148 0.000 0.725 415 A CB -0.428 18.441 19.000 -0.218 0.000 0.784 415 A HN 0.524 nan 8.150 nan 0.000 0.472 416 K N -1.295 119.057 120.400 -0.079 0.000 3.239 416 K HA -0.121 4.205 4.320 0.009 0.000 0.270 416 K C -0.834 175.745 176.600 -0.035 0.000 1.049 416 K CA 0.787 57.042 56.287 -0.052 0.000 0.769 416 K CB -2.630 29.839 32.500 -0.052 0.000 1.305 416 K HN 0.270 nan 8.250 nan 0.000 0.469 417 V N 0.880 120.794 119.914 0.000 0.000 2.540 417 V HA 0.193 4.318 4.120 0.009 0.000 0.302 417 V C 0.705 176.893 176.094 0.156 0.000 1.035 417 V CA -0.727 61.614 62.300 0.069 0.000 0.873 417 V CB 2.132 33.974 31.823 0.031 0.000 0.992 417 V HN 0.298 nan 8.190 nan 0.000 0.428 418 T N 6.041 120.631 114.554 0.061 0.000 2.902 418 T HA 0.440 4.795 4.350 0.009 0.000 0.301 418 T C -0.292 174.427 174.700 0.032 0.000 1.012 418 T CA 0.932 62.967 62.100 -0.109 0.000 1.151 418 T CB -0.000 68.638 68.868 -0.383 0.000 0.946 418 T HN 0.516 nan 8.240 nan 0.000 0.542 419 I N 2.828 123.369 120.570 -0.049 0.000 3.006 419 I HA 0.664 4.840 4.170 0.009 0.000 0.306 419 I C -1.452 174.662 176.117 -0.004 0.000 1.250 419 I CA -0.924 60.374 61.300 -0.004 0.000 0.996 419 I CB 2.089 40.022 38.000 -0.112 0.000 1.261 419 I HN 0.401 nan 8.210 nan 0.000 0.442 420 V N 5.055 125.028 119.914 0.098 0.000 2.638 420 V HA 0.473 4.598 4.120 0.009 0.000 0.306 420 V C -1.226 174.903 176.094 0.059 0.000 1.052 420 V CA -0.346 62.016 62.300 0.103 0.000 0.885 420 V CB 2.106 34.069 31.823 0.233 0.000 0.999 420 V HN 0.872 nan 8.190 nan 0.000 0.424 421 D N 4.162 124.567 120.400 0.007 0.000 2.358 421 D HA 0.171 4.817 4.640 0.009 0.000 0.244 421 D C 1.299 177.541 176.300 -0.097 0.000 1.163 421 D CA 0.183 54.147 54.000 -0.059 0.000 0.945 421 D CB 0.480 41.206 40.800 -0.124 0.000 1.152 421 D HN 0.738 nan 8.370 nan 0.000 0.451 422 H N -0.028 118.957 119.070 -0.142 0.000 2.491 422 H HA -0.131 4.430 4.556 0.009 0.000 0.290 422 H C 0.910 176.119 175.328 -0.199 0.000 1.050 422 H CA 1.172 57.106 56.048 -0.190 0.000 1.309 422 H CB -0.505 29.095 29.762 -0.271 0.000 1.392 422 H HN 0.519 nan 8.280 nan 0.000 0.554 423 H N 1.419 120.314 119.070 -0.291 0.000 2.284 423 H HA 0.105 4.667 4.556 0.009 0.000 0.304 423 H C 2.596 177.913 175.328 -0.018 0.000 1.069 423 H CA 1.322 57.300 56.048 -0.116 0.000 1.327 423 H CB -0.465 29.200 29.762 -0.162 0.000 1.387 423 H HN 0.481 nan 8.280 nan 0.000 0.498 424 A N 1.617 124.495 122.820 0.097 0.000 1.908 424 A HA -0.152 4.173 4.320 0.009 0.000 0.218 424 A C 2.717 180.373 177.584 0.119 0.000 1.181 424 A CA 2.087 54.181 52.037 0.095 0.000 0.627 424 A CB -0.959 18.085 19.000 0.074 0.000 0.818 424 A HN 0.458 nan 8.150 nan 0.000 0.445 425 A N -0.394 122.493 122.820 0.111 0.000 1.908 425 A HA -0.122 4.203 4.320 0.009 0.000 0.218 425 A C 2.433 180.115 177.584 0.163 0.000 1.181 425 A CA 2.643 54.764 52.037 0.140 0.000 0.627 425 A CB -1.356 17.712 19.000 0.114 0.000 0.818 425 A HN 0.757 nan 8.150 nan 0.000 0.445 426 T N -2.904 111.735 114.554 0.141 0.000 2.896 426 T HA -0.040 4.315 4.350 0.009 0.000 0.263 426 T C 1.707 176.547 174.700 0.232 0.000 1.050 426 T CA 1.194 63.403 62.100 0.182 0.000 1.140 426 T CB -0.701 68.248 68.868 0.134 0.000 0.877 426 T HN 0.043 nan 8.240 nan 0.000 0.457 427 V N 2.943 122.966 119.914 0.182 0.000 2.332 427 V HA -0.181 3.945 4.120 0.009 0.000 0.248 427 V C 3.195 179.387 176.094 0.162 0.000 1.055 427 V CA 2.223 64.618 62.300 0.158 0.000 1.038 427 V CB -0.926 30.969 31.823 0.120 0.000 0.651 427 V HN 0.799 nan 8.190 nan 0.000 0.450 428 S N -0.679 115.126 115.700 0.176 0.000 2.453 428 S HA -0.163 4.313 4.470 0.009 0.000 0.231 428 S C 1.892 176.626 174.600 0.223 0.000 1.005 428 S CA 1.215 59.518 58.200 0.171 0.000 0.949 428 S CB -0.629 62.672 63.200 0.168 0.000 0.774 428 S HN 0.529 nan 8.310 nan 0.000 0.510 429 F N 2.191 122.208 119.950 0.112 0.000 2.259 429 F HA 0.184 4.716 4.527 0.009 0.000 0.298 429 F C 2.140 178.033 175.800 0.155 0.000 1.088 429 F CA 0.914 58.996 58.000 0.136 0.000 1.358 429 F CB -0.283 38.778 39.000 0.103 0.000 1.040 429 F HN 0.098 nan 8.300 nan 0.000 0.505 430 M N 0.099 119.772 119.600 0.121 0.000 2.159 430 M HA -0.163 4.322 4.480 0.009 0.000 0.263 430 M C 2.157 178.429 176.300 -0.046 0.000 1.063 430 M CA 1.436 56.746 55.300 0.017 0.000 1.110 430 M CB -1.203 31.457 32.600 0.101 0.000 1.374 430 M HN 0.081 nan 8.290 nan 0.000 0.411 431 K N -0.217 120.189 120.400 0.009 0.000 2.103 431 K HA -0.173 4.152 4.320 0.009 0.000 0.204 431 K C 1.954 178.537 176.600 -0.027 0.000 1.052 431 K CA 1.591 57.881 56.287 0.004 0.000 0.945 431 K CB -0.594 31.933 32.500 0.045 0.000 0.722 431 K HN 0.387 nan 8.250 nan 0.000 0.443 432 H N 0.086 119.076 119.070 -0.134 0.000 2.353 432 H HA -0.008 4.553 4.556 0.009 0.000 0.300 432 H C 1.673 176.846 175.328 -0.258 0.000 1.090 432 H CA 2.135 58.081 56.048 -0.169 0.000 1.327 432 H CB -0.156 29.503 29.762 -0.171 0.000 1.383 432 H HN 0.172 nan 8.280 nan 0.000 0.508 433 L N -0.287 120.637 121.223 -0.500 0.000 2.083 433 L HA -0.161 4.185 4.340 0.009 0.000 0.209 433 L C 2.173 178.878 176.870 -0.274 0.000 1.083 433 L CA 1.865 56.431 54.840 -0.457 0.000 0.752 433 L CB -0.381 41.457 42.059 -0.369 0.000 0.899 433 L HN 0.408 nan 8.230 nan 0.000 0.433 434 D N -0.456 119.831 120.400 -0.189 0.000 2.149 434 D HA -0.157 4.488 4.640 0.009 0.000 0.201 434 D C 1.924 178.154 176.300 -0.116 0.000 0.972 434 D CA 0.833 54.763 54.000 -0.118 0.000 0.835 434 D CB 0.193 40.951 40.800 -0.070 0.000 0.966 434 D HN 0.162 nan 8.370 nan 0.000 0.476 435 N N 0.583 119.202 118.700 -0.133 0.000 2.084 435 N HA -0.128 4.618 4.740 0.009 0.000 0.190 435 N C 1.563 176.996 175.510 -0.128 0.000 1.030 435 N CA 0.814 53.805 53.050 -0.099 0.000 0.849 435 N CB -0.250 38.200 38.487 -0.060 0.000 1.012 435 N HN 0.300 nan 8.380 nan 0.000 0.423 436 E N 0.616 120.668 120.200 -0.247 0.000 2.152 436 E HA -0.139 4.217 4.350 0.009 0.000 0.192 436 E C 1.843 178.351 176.600 -0.154 0.000 0.983 436 E CA 0.512 56.767 56.400 -0.241 0.000 0.818 436 E CB -0.044 29.409 29.700 -0.412 0.000 0.758 436 E HN 0.304 nan 8.360 nan 0.000 0.467 437 Q N 1.489 121.204 119.800 -0.141 0.000 2.050 437 Q HA -0.129 4.216 4.340 0.009 0.000 0.202 437 Q C 1.831 177.787 176.000 -0.074 0.000 0.980 437 Q CA 1.722 57.469 55.803 -0.093 0.000 0.840 437 Q CB -0.034 28.656 28.738 -0.081 0.000 0.898 437 Q HN 0.068 nan 8.270 nan 0.000 0.424 438 K N -0.832 119.527 120.400 -0.068 0.000 2.097 438 K HA -0.034 4.292 4.320 0.009 0.000 0.205 438 K C 1.890 178.463 176.600 -0.045 0.000 1.050 438 K CA 1.218 57.476 56.287 -0.049 0.000 0.938 438 K CB -0.181 32.296 32.500 -0.039 0.000 0.718 438 K HN 0.267 nan 8.250 nan 0.000 0.442 439 A N 0.666 123.458 122.820 -0.047 0.000 1.878 439 A HA 0.000 4.326 4.320 0.009 0.000 0.213 439 A C 1.778 179.336 177.584 -0.042 0.000 1.192 439 A CA 1.013 53.032 52.037 -0.030 0.000 0.619 439 A CB 0.053 19.052 19.000 -0.002 0.000 0.837 439 A HN 0.110 nan 8.150 nan 0.000 0.446 440 R N -2.229 118.232 120.500 -0.064 0.000 2.487 440 R HA 0.255 4.601 4.340 0.009 0.000 0.272 440 R C 0.785 177.044 176.300 -0.069 0.000 0.928 440 R CA 0.555 56.618 56.100 -0.063 0.000 1.077 440 R CB 0.720 30.977 30.300 -0.071 0.000 1.265 440 R HN 0.699 nan 8.270 nan 0.000 0.537 441 G N 1.024 109.779 108.800 -0.076 0.000 2.160 441 G HA2 -0.175 3.791 3.960 0.009 0.000 0.244 441 G HA3 -0.175 3.791 3.960 0.009 0.000 0.244 441 G C 0.182 175.044 174.900 -0.064 0.000 1.022 441 G CA 0.077 45.124 45.100 -0.088 0.000 0.741 441 G HN 0.717 nan 8.290 nan 0.000 0.508 442 G N -2.432 106.344 108.800 -0.040 0.000 2.336 442 G HA2 0.541 4.506 3.960 0.009 0.000 0.300 442 G HA3 0.541 4.506 3.960 0.009 0.000 0.300 442 G C -0.811 174.098 174.900 0.014 0.000 1.375 442 G CA 0.336 45.446 45.100 0.017 0.000 0.885 442 G HN 1.945 nan 8.290 nan 0.000 0.599 443 C N 2.066 121.398 119.300 0.054 0.000 2.705 443 C HA 0.747 5.212 4.460 0.009 0.000 0.369 443 C C -2.547 172.427 174.990 -0.027 0.000 1.069 443 C CA -1.242 57.764 59.018 -0.020 0.000 1.260 443 C CB 1.332 29.000 27.740 -0.121 0.000 1.764 443 C HN 0.702 nan 8.230 nan 0.000 0.469 444 P HA 0.432 nan 4.420 nan 0.000 0.271 444 P C -0.705 176.494 177.300 -0.167 0.000 1.226 444 P CA 0.511 63.259 63.100 -0.586 0.000 0.765 444 P CB 1.139 32.199 31.700 -1.066 0.000 0.835 445 A N 2.584 125.380 122.820 -0.039 0.000 2.488 445 A HA 0.419 4.744 4.320 0.009 0.000 0.298 445 A C -1.166 176.481 177.584 0.105 0.000 1.044 445 A CA -0.553 51.548 52.037 0.106 0.000 0.693 445 A CB 1.312 20.497 19.000 0.310 0.000 1.272 445 A HN 0.433 nan 8.150 nan 0.000 0.402 446 D N 1.943 122.391 120.400 0.080 0.000 2.443 446 D HA 0.154 4.800 4.640 0.009 0.000 0.221 446 D C 0.795 177.234 176.300 0.231 0.000 1.097 446 D CA -0.478 53.600 54.000 0.131 0.000 0.865 446 D CB 0.372 41.181 40.800 0.015 0.000 1.034 446 D HN 0.594 nan 8.370 nan 0.000 0.511 447 W N 4.354 125.706 121.300 0.087 0.000 2.318 447 W HA -0.277 4.389 4.660 0.010 0.000 0.313 447 W C 1.968 178.535 176.519 0.081 0.000 1.221 447 W CA 2.344 59.729 57.345 0.066 0.000 1.266 447 W CB -0.029 29.447 29.460 0.026 0.000 1.150 447 W HN 0.550 nan 8.180 nan 0.000 0.496 448 A N -1.145 121.978 122.820 0.504 0.000 2.024 448 A HA -0.218 4.107 4.320 0.009 0.000 0.220 448 A C 1.496 179.140 177.584 0.100 0.000 1.164 448 A CA 1.756 53.995 52.037 0.337 0.000 0.643 448 A CB -1.237 17.992 19.000 0.383 0.000 0.806 448 A HN 0.568 nan 8.150 nan 0.000 0.451 449 W N -1.079 120.192 121.300 -0.048 0.000 2.683 449 W HA 0.197 4.863 4.660 0.009 0.000 0.267 449 W C 1.936 178.346 176.519 -0.181 0.000 1.243 449 W CA -0.055 57.240 57.345 -0.083 0.000 1.380 449 W CB -0.064 29.375 29.460 -0.035 0.000 1.063 449 W HN 0.115 nan 8.180 nan 0.000 0.599 450 I N 0.076 120.622 120.570 -0.038 0.000 2.202 450 I HA -0.108 4.067 4.170 0.009 0.000 0.242 450 I C 0.703 176.628 176.117 -0.319 0.000 1.091 450 I CA 0.904 62.045 61.300 -0.264 0.000 1.368 450 I CB -1.544 36.221 38.000 -0.392 0.000 1.058 450 I HN -0.419 nan 8.210 nan 0.000 0.410 451 V N 4.633 124.270 119.914 -0.462 0.000 2.485 451 V HA 0.040 4.166 4.120 0.009 0.000 0.287 451 V C -1.691 174.223 176.094 -0.299 0.000 1.022 451 V CA -0.949 61.071 62.300 -0.467 0.000 1.067 451 V CB -0.060 31.248 31.823 -0.858 0.000 0.967 451 V HN 0.173 nan 8.190 nan 0.000 0.479 452 P HA 0.168 nan 4.420 nan 0.000 0.270 452 P C -2.162 175.004 177.300 -0.224 0.000 1.223 452 P CA -1.390 61.583 63.100 -0.211 0.000 0.785 452 P CB 0.093 31.669 31.700 -0.207 0.000 0.923 453 P HA 0.146 nan 4.420 nan 0.000 0.255 453 P C 0.245 177.418 177.300 -0.211 0.000 1.248 453 P CA 0.568 63.543 63.100 -0.207 0.000 0.807 453 P CB 0.100 31.676 31.700 -0.207 0.000 1.150 454 I N -6.118 114.278 120.570 -0.290 0.000 2.785 454 I HA 0.518 4.694 4.170 0.009 0.000 0.302 454 I C 0.038 175.992 176.117 -0.271 0.000 1.069 454 I CA -1.177 59.959 61.300 -0.272 0.000 1.045 454 I CB 1.949 39.769 38.000 -0.299 0.000 1.236 454 I HN -0.394 nan 8.210 nan 0.000 0.429 455 S N 2.092 117.699 115.700 -0.154 0.000 3.521 455 S HA -0.210 4.265 4.470 0.009 0.000 0.328 455 S C 1.421 175.973 174.600 -0.079 0.000 1.165 455 S CA 0.833 58.991 58.200 -0.070 0.000 0.941 455 S CB -1.923 61.305 63.200 0.047 0.000 0.951 455 S HN 1.402 nan 8.310 nan 0.000 0.539 456 G N 2.464 111.188 108.800 -0.128 0.000 2.859 456 G HA2 -0.432 3.534 3.960 0.009 0.000 0.236 456 G HA3 -0.432 3.534 3.960 0.009 0.000 0.236 456 G C 1.419 176.169 174.900 -0.249 0.000 1.207 456 G CA 2.145 47.169 45.100 -0.127 0.000 0.769 456 G HN 1.489 nan 8.290 nan 0.000 0.674 457 S N -0.120 115.158 115.700 -0.704 0.000 2.603 457 S HA 0.178 4.654 4.470 0.009 0.000 0.229 457 S C 1.972 176.508 174.600 -0.106 0.000 0.972 457 S CA 0.842 58.508 58.200 -0.891 0.000 0.935 457 S CB 0.066 62.538 63.200 -1.213 0.000 0.769 457 S HN 0.115 nan 8.310 nan 0.000 0.536 458 L N 2.545 123.748 121.223 -0.034 0.000 2.465 458 L HA 0.199 4.544 4.340 0.009 0.000 0.224 458 L C 1.380 178.377 176.870 0.213 0.000 1.145 458 L CA 0.821 55.730 54.840 0.114 0.000 0.834 458 L CB -1.049 41.103 42.059 0.156 0.000 0.944 458 L HN 0.624 nan 8.230 nan 0.000 0.451 459 T N -4.935 109.739 114.554 0.200 0.000 2.940 459 T HA 0.408 4.764 4.350 0.009 0.000 0.288 459 T C -1.867 173.013 174.700 0.301 0.000 1.033 459 T CA -1.868 60.377 62.100 0.242 0.000 1.033 459 T CB 2.006 70.976 68.868 0.170 0.000 1.079 459 T HN -0.188 nan 8.240 nan 0.000 0.496 460 P HA -0.020 nan 4.420 nan 0.000 0.222 460 P C 1.870 179.398 177.300 0.380 0.000 1.153 460 P CA 0.792 64.106 63.100 0.358 0.000 0.798 460 P CB -0.383 31.464 31.700 0.245 0.000 0.796 461 V N -2.957 117.124 119.914 0.278 0.000 2.392 461 V HA -0.244 3.881 4.120 0.009 0.000 0.249 461 V C 2.335 178.550 176.094 0.200 0.000 1.059 461 V CA 1.491 63.927 62.300 0.227 0.000 1.051 461 V CB -2.356 29.535 31.823 0.113 0.000 0.658 461 V HN -0.101 nan 8.190 nan 0.000 0.455 462 F N 2.017 121.955 119.950 -0.020 0.000 2.147 462 F HA -0.222 4.311 4.527 0.009 0.000 0.301 462 F C 2.374 178.302 175.800 0.213 0.000 1.084 462 F CA 2.397 60.388 58.000 -0.015 0.000 1.268 462 F CB -0.344 38.517 39.000 -0.231 0.000 1.009 462 F HN 0.327 nan 8.300 nan 0.000 0.486 463 H N -1.210 118.182 119.070 0.537 0.000 2.526 463 H HA 0.139 4.701 4.556 0.009 0.000 0.274 463 H C 0.203 175.782 175.328 0.418 0.000 0.999 463 H CA 0.145 56.467 56.048 0.456 0.000 1.157 463 H CB -0.068 29.953 29.762 0.431 0.000 1.407 463 H HN 0.238 nan 8.280 nan 0.000 0.568 464 Q N 1.985 122.072 119.800 0.478 0.000 2.347 464 Q HA 0.167 4.512 4.340 0.009 0.000 0.262 464 Q C -0.653 175.584 176.000 0.395 0.000 0.980 464 Q CA -0.468 55.567 55.803 0.386 0.000 0.867 464 Q CB 0.825 29.760 28.738 0.329 0.000 1.242 464 Q HN 0.229 nan 8.270 nan 0.000 0.453 465 E N 3.457 123.835 120.200 0.297 0.000 2.413 465 E HA 0.189 4.544 4.350 0.009 0.000 0.263 465 E C -0.467 176.268 176.600 0.225 0.000 1.015 465 E CA 0.442 56.969 56.400 0.211 0.000 0.916 465 E CB 0.727 30.526 29.700 0.165 0.000 0.947 465 E HN 0.582 nan 8.360 nan 0.000 0.440 466 M N 1.841 121.579 119.600 0.230 0.000 2.464 466 M HA 0.357 4.842 4.480 0.009 0.000 0.308 466 M C -1.069 175.346 176.300 0.192 0.000 1.127 466 M CA -1.046 54.399 55.300 0.241 0.000 0.913 466 M CB 2.245 35.046 32.600 0.336 0.000 1.689 466 M HN 0.168 nan 8.290 nan 0.000 0.445 467 V N 1.870 121.909 119.914 0.208 0.000 2.472 467 V HA 0.405 4.531 4.120 0.009 0.000 0.290 467 V C -0.370 175.866 176.094 0.237 0.000 1.037 467 V CA -0.695 61.760 62.300 0.259 0.000 0.908 467 V CB 1.498 33.527 31.823 0.344 0.000 0.985 467 V HN 0.879 nan 8.190 nan 0.000 0.454 468 N N 3.136 121.972 118.700 0.228 0.000 2.342 468 N HA 0.696 5.442 4.740 0.009 0.000 0.293 468 N C -1.770 173.861 175.510 0.201 0.000 1.026 468 N CA -0.386 52.709 53.050 0.075 0.000 0.857 468 N CB 2.018 40.540 38.487 0.058 0.000 1.256 468 N HN 0.751 nan 8.380 nan 0.000 0.484 469 Y N 0.519 120.833 120.300 0.023 0.000 2.702 469 Y HA 0.427 4.983 4.550 0.009 0.000 0.336 469 Y C -1.551 174.347 175.900 -0.004 0.000 1.203 469 Y CA -1.135 56.972 58.100 0.012 0.000 1.072 469 Y CB 0.561 39.035 38.460 0.023 0.000 1.327 469 Y HN 0.198 nan 8.280 nan 0.000 0.456 470 I N 3.799 124.464 120.570 0.160 0.000 2.297 470 I HA 0.367 4.542 4.170 0.009 0.000 0.291 470 I C -0.554 175.626 176.117 0.106 0.000 1.033 470 I CA -0.388 60.943 61.300 0.052 0.000 1.253 470 I CB 0.675 38.690 38.000 0.025 0.000 1.396 470 I HN 0.418 nan 8.210 nan 0.000 0.476 471 L N 4.804 126.058 121.223 0.052 0.000 2.352 471 L HA 0.553 4.899 4.340 0.009 0.000 0.269 471 L C 0.234 177.106 176.870 0.003 0.000 1.034 471 L CA -0.455 54.419 54.840 0.055 0.000 0.806 471 L CB 1.824 43.908 42.059 0.043 0.000 1.244 471 L HN 0.517 nan 8.230 nan 0.000 0.447 472 S N 1.081 116.794 115.700 0.021 0.000 2.526 472 S HA 0.599 5.074 4.470 0.009 0.000 0.293 472 S C -2.564 172.062 174.600 0.043 0.000 1.092 472 S CA -1.416 56.789 58.200 0.008 0.000 0.980 472 S CB 1.945 65.165 63.200 0.034 0.000 1.048 472 S HN 0.219 nan 8.310 nan 0.000 0.483 473 P HA 0.374 nan 4.420 nan 0.000 0.269 473 P C -1.313 175.884 177.300 -0.172 0.000 1.211 473 P CA 0.015 63.049 63.100 -0.109 0.000 0.781 473 P CB 0.454 32.047 31.700 -0.178 0.000 0.877 474 A N 0.967 123.642 122.820 -0.241 0.000 2.606 474 A HA 0.666 4.992 4.320 0.009 0.000 0.293 474 A C -1.566 175.808 177.584 -0.350 0.000 1.082 474 A CA -0.469 51.430 52.037 -0.230 0.000 0.685 474 A CB 0.717 19.649 19.000 -0.114 0.000 1.284 474 A HN 0.281 nan 8.150 nan 0.000 0.408 475 F N 1.228 121.114 119.950 -0.107 0.000 2.404 475 F HA 0.616 5.148 4.527 0.008 0.000 0.345 475 F C 1.104 176.836 175.800 -0.114 0.000 1.110 475 F CA 0.215 58.166 58.000 -0.081 0.000 1.130 475 F CB 1.500 40.442 39.000 -0.096 0.000 1.129 475 F HN 0.516 nan 8.300 nan 0.000 0.500 476 R N 1.664 122.226 120.500 0.104 0.000 2.832 476 R HA 0.473 4.819 4.340 0.009 0.000 0.271 476 R C -1.271 175.066 176.300 0.061 0.000 0.996 476 R CA -1.170 54.918 56.100 -0.020 0.000 0.977 476 R CB 1.405 31.707 30.300 0.002 0.000 1.168 476 R HN 0.386 nan 8.270 nan 0.000 0.482 477 Y N 1.133 121.457 120.300 0.040 0.000 2.314 477 Y HA 0.138 4.693 4.550 0.009 0.000 0.334 477 Y C 0.674 176.576 175.900 0.003 0.000 1.266 477 Y CA -0.506 57.607 58.100 0.020 0.000 1.391 477 Y CB 0.620 39.080 38.460 -0.001 0.000 1.306 477 Y HN 0.461 nan 8.280 nan 0.000 0.558 478 Q N 0.532 120.424 119.800 0.153 0.000 2.462 478 Q HA 0.641 4.987 4.340 0.009 0.000 0.285 478 Q C -3.073 172.891 176.000 -0.061 0.000 1.035 478 Q CA -2.370 53.456 55.803 0.037 0.000 0.799 478 Q CB 1.617 30.371 28.738 0.027 0.000 1.452 478 Q HN 0.291 nan 8.270 nan 0.000 0.404 479 P HA 0.098 nan 4.420 nan 0.000 0.269 479 P C -0.961 176.117 177.300 -0.370 0.000 1.209 479 P CA 0.012 62.983 63.100 -0.216 0.000 0.776 479 P CB 0.335 31.918 31.700 -0.194 0.000 0.876 480 D N 3.371 123.421 120.400 -0.583 0.000 2.472 480 D HA -0.004 4.642 4.640 0.009 0.000 0.237 480 D C -1.389 174.217 176.300 -1.158 0.000 1.141 480 D CA -0.815 52.529 54.000 -1.094 0.000 0.875 480 D CB -0.007 39.748 40.800 -1.742 0.000 1.192 480 D HN 0.239 nan 8.370 nan 0.000 0.450 481 P HA 0.029 nan 4.420 nan 0.000 0.233 481 P C -0.112 176.804 177.300 -0.641 0.000 1.167 481 P CA 0.468 63.089 63.100 -0.799 0.000 0.770 481 P CB 0.104 31.269 31.700 -0.892 0.000 0.837 482 W N 0.000 120.917 121.300 -0.639 0.000 2.388 482 W HA 0.000 4.665 4.660 0.009 0.000 0.303 482 W CA 0.000 57.129 57.345 -0.360 0.000 1.226 482 W CB 0.000 29.254 29.460 -0.344 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535