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 1i83_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVXMD 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 0.010 0.000 0.244 67 G C 0.000 174.854 174.900 -0.077 0.000 0.946 67 G CA 0.000 45.083 45.100 -0.028 0.000 0.502 68 P HA 0.264 nan 4.420 nan 0.000 0.266 68 P C -0.261 177.039 177.300 -0.001 0.000 1.195 68 P CA 0.088 63.094 63.100 -0.157 0.000 0.768 68 P CB 0.498 31.881 31.700 -0.528 0.000 0.838 69 K N 2.874 123.217 120.400 -0.096 0.000 3.216 69 K HA 0.225 4.551 4.320 0.010 0.000 0.277 69 K C -0.545 175.724 176.600 -0.552 0.000 1.246 69 K CA 0.137 56.249 56.287 -0.292 0.000 1.227 69 K CB -0.473 31.797 32.500 -0.382 0.000 1.487 69 K HN 0.388 nan 8.250 nan 0.000 0.341 70 F N -0.172 119.813 119.950 0.058 0.000 2.643 70 F HA 0.319 4.852 4.527 0.010 0.000 0.314 70 F C -2.276 173.619 175.800 0.158 0.000 1.096 70 F CA -3.033 55.018 58.000 0.085 0.000 0.953 70 F CB 0.810 39.861 39.000 0.085 0.000 1.345 70 F HN -0.079 nan 8.300 nan 0.000 0.468 71 P HA 0.047 nan 4.420 nan 0.000 0.262 71 P C -0.814 176.567 177.300 0.135 0.000 1.182 71 P CA -0.046 63.158 63.100 0.174 0.000 0.761 71 P CB 0.458 32.234 31.700 0.127 0.000 0.795 72 R N 3.202 123.715 120.500 0.021 0.000 2.221 72 R HA 0.381 4.726 4.340 0.010 0.000 0.327 72 R C -1.202 174.990 176.300 -0.181 0.000 1.033 72 R CA -0.526 55.410 56.100 -0.273 0.000 0.887 72 R CB 0.461 30.624 30.300 -0.228 0.000 1.057 72 R HN 0.225 nan 8.270 nan 0.000 0.455 73 V N 5.257 125.033 119.914 -0.229 0.000 2.417 73 V HA 0.349 4.475 4.120 0.010 0.000 0.291 73 V C -0.147 175.870 176.094 -0.129 0.000 1.024 73 V CA -0.698 61.544 62.300 -0.097 0.000 0.861 73 V CB 1.421 33.225 31.823 -0.031 0.000 0.985 73 V HN 0.716 nan 8.190 nan 0.000 0.436 74 K N 3.877 124.229 120.400 -0.080 0.000 2.259 74 K HA 0.443 4.769 4.320 0.010 0.000 0.249 74 K C -0.689 175.865 176.600 -0.078 0.000 0.942 74 K CA -0.728 55.449 56.287 -0.184 0.000 0.816 74 K CB 1.576 33.825 32.500 -0.419 0.000 1.155 74 K HN 0.717 nan 8.250 nan 0.000 0.428 75 N N 3.798 122.427 118.700 -0.119 0.000 2.446 75 N HA 0.123 4.869 4.740 0.010 0.000 0.265 75 N C -0.418 175.073 175.510 -0.031 0.000 0.975 75 N CA -0.393 52.692 53.050 0.058 0.000 0.928 75 N CB 0.565 39.094 38.487 0.070 0.000 1.160 75 N HN 0.674 nan 8.380 nan 0.000 0.495 76 W N 2.083 123.464 121.300 0.134 0.000 2.905 76 W HA 0.170 4.835 4.660 0.009 0.000 0.251 76 W C 2.034 178.593 176.519 0.067 0.000 1.305 76 W CA -0.142 57.269 57.345 0.110 0.000 1.465 76 W CB 0.311 29.863 29.460 0.152 0.000 1.122 76 W HN 0.665 nan 8.180 nan 0.000 0.659 77 E N 0.487 120.822 120.200 0.224 0.000 2.060 77 E HA -0.094 4.262 4.350 0.010 0.000 0.189 77 E C 1.727 178.354 176.600 0.044 0.000 0.974 77 E CA 0.970 57.405 56.400 0.058 0.000 0.808 77 E CB -0.219 29.493 29.700 0.020 0.000 0.768 77 E HN 0.234 nan 8.360 nan 0.000 0.453 78 L N -0.669 120.581 121.223 0.045 0.000 2.529 78 L HA 0.288 4.634 4.340 0.010 0.000 0.223 78 L C 1.554 178.407 176.870 -0.028 0.000 1.113 78 L CA 0.414 55.261 54.840 0.011 0.000 0.861 78 L CB 0.375 42.445 42.059 0.018 0.000 1.012 78 L HN 0.425 nan 8.230 nan 0.000 0.461 79 G N 0.618 109.377 108.800 -0.069 0.000 2.168 79 G HA2 -0.331 3.634 3.960 0.010 0.000 0.263 79 G HA3 -0.331 3.634 3.960 0.010 0.000 0.263 79 G C 0.443 175.254 174.900 -0.150 0.000 0.977 79 G CA 0.538 45.550 45.100 -0.147 0.000 0.659 79 G HN 0.490 nan 8.290 nan 0.000 0.533 80 S N -0.012 115.625 115.700 -0.105 0.000 2.592 80 S HA 0.751 5.226 4.470 0.010 0.000 0.271 80 S C 0.173 174.695 174.600 -0.130 0.000 1.326 80 S CA -0.550 57.596 58.200 -0.090 0.000 1.024 80 S CB 1.986 65.157 63.200 -0.048 0.000 0.921 80 S HN 0.448 nan 8.310 nan 0.000 0.527 81 I N 1.953 122.451 120.570 -0.120 0.000 2.689 81 I HA 0.589 4.765 4.170 0.010 0.000 0.299 81 I C 0.216 176.243 176.117 -0.150 0.000 1.059 81 I CA -0.251 60.945 61.300 -0.173 0.000 1.055 81 I CB 1.860 39.744 38.000 -0.192 0.000 1.243 81 I HN 1.070 nan 8.210 nan 0.000 0.425 82 T N 1.505 115.921 114.554 -0.230 0.000 2.841 82 T HA 0.697 5.053 4.350 0.010 0.000 0.296 82 T C -1.417 173.084 174.700 -0.331 0.000 1.166 82 T CA -0.704 61.306 62.100 -0.150 0.000 1.007 82 T CB 1.964 70.795 68.868 -0.062 0.000 1.253 82 T HN 0.260 nan 8.240 nan 0.000 0.511 83 Y N 0.138 120.422 120.300 -0.028 0.000 2.409 83 Y HA 0.523 5.079 4.550 0.009 0.000 0.343 83 Y C -0.119 175.740 175.900 -0.068 0.000 0.973 83 Y CA -0.973 57.116 58.100 -0.017 0.000 1.064 83 Y CB 1.800 40.252 38.460 -0.013 0.000 1.207 83 Y HN 0.725 nan 8.280 nan 0.000 0.452 84 D N 1.813 122.271 120.400 0.097 0.000 2.359 84 D HA 0.107 4.753 4.640 0.010 0.000 0.230 84 D C 0.631 176.884 176.300 -0.078 0.000 1.118 84 D CA 0.061 54.074 54.000 0.023 0.000 0.844 84 D CB 1.345 42.199 40.800 0.089 0.000 1.059 84 D HN 0.802 nan 8.370 nan 0.000 0.493 85 T N 1.069 115.449 114.554 -0.290 0.000 3.014 85 T HA -0.044 4.312 4.350 0.010 0.000 0.250 85 T C 1.837 176.408 174.700 -0.215 0.000 1.060 85 T CA -0.217 61.542 62.100 -0.567 0.000 1.040 85 T CB 0.087 68.409 68.868 -0.911 0.000 0.971 85 T HN 0.258 nan 8.240 nan 0.000 0.497 86 L N 2.447 123.581 121.223 -0.149 0.000 2.201 86 L HA 0.060 4.406 4.340 0.010 0.000 0.212 86 L C 2.590 179.321 176.870 -0.231 0.000 1.105 86 L CA 1.256 56.040 54.840 -0.093 0.000 0.775 86 L CB -0.917 41.162 42.059 0.034 0.000 0.913 86 L HN 0.656 nan 8.230 nan 0.000 0.440 87 C N -1.516 117.459 119.300 -0.542 0.000 2.422 87 C HA 0.063 4.529 4.460 0.010 0.000 0.286 87 C C 2.770 177.553 174.990 -0.346 0.000 1.412 87 C CA 0.141 58.574 59.018 -0.975 0.000 1.786 87 C CB -2.278 24.862 27.740 -0.999 0.000 1.835 87 C HN 0.583 nan 8.230 nan 0.000 0.533 88 A N 0.087 122.839 122.820 -0.113 0.000 2.121 88 A HA -0.087 4.239 4.320 0.010 0.000 0.218 88 A C 2.291 179.869 177.584 -0.011 0.000 1.154 88 A CA 1.371 53.412 52.037 0.006 0.000 0.679 88 A CB -0.419 18.672 19.000 0.152 0.000 0.795 88 A HN 0.679 nan 8.150 nan 0.000 0.458 89 Q N 0.017 119.799 119.800 -0.031 0.000 2.389 89 Q HA 0.048 4.393 4.340 0.010 0.000 0.204 89 Q C 0.960 176.977 176.000 0.029 0.000 0.944 89 Q CA 0.454 56.263 55.803 0.010 0.000 0.908 89 Q CB -0.465 28.288 28.738 0.026 0.000 1.002 89 Q HN 0.525 nan 8.270 nan 0.000 0.493 90 S N 1.178 116.885 115.700 0.011 0.000 2.544 90 S HA -0.040 4.436 4.470 0.010 0.000 0.290 90 S C 0.807 175.435 174.600 0.047 0.000 1.276 90 S CA 0.213 58.451 58.200 0.063 0.000 1.075 90 S CB 0.370 63.615 63.200 0.075 0.000 0.849 90 S HN 0.194 nan 8.310 nan 0.000 0.494 91 Q N 2.756 122.591 119.800 0.057 0.000 2.179 91 Q HA 0.221 4.567 4.340 0.010 0.000 0.213 91 Q C -0.125 175.899 176.000 0.041 0.000 0.833 91 Q CA 0.028 55.858 55.803 0.045 0.000 0.990 91 Q CB 0.691 29.459 28.738 0.050 0.000 1.132 91 Q HN 0.746 nan 8.270 nan 0.000 0.493 92 Q N 1.018 120.847 119.800 0.047 0.000 2.285 92 Q HA 0.183 4.529 4.340 0.010 0.000 0.269 92 Q C -1.480 174.547 176.000 0.046 0.000 1.030 92 Q CA -0.490 55.337 55.803 0.040 0.000 0.788 92 Q CB 1.723 30.482 28.738 0.034 0.000 1.266 92 Q HN 0.034 nan 8.270 nan 0.000 0.438 93 D N 2.164 122.587 120.400 0.037 0.000 2.382 93 D HA 0.242 4.888 4.640 0.010 0.000 0.245 93 D C 0.261 176.586 176.300 0.041 0.000 1.120 93 D CA 0.333 54.357 54.000 0.039 0.000 0.890 93 D CB 1.369 42.187 40.800 0.029 0.000 1.201 93 D HN 0.689 nan 8.370 nan 0.000 0.433 94 G N 0.884 109.713 108.800 0.048 0.000 2.543 94 G HA2 0.296 4.262 3.960 0.010 0.000 0.267 94 G HA3 0.296 4.262 3.960 0.010 0.000 0.267 94 G C -1.652 173.271 174.900 0.039 0.000 1.406 94 G CA -0.613 44.515 45.100 0.046 0.000 1.048 94 G HN 0.303 nan 8.290 nan 0.000 0.548 95 P HA 0.155 nan 4.420 nan 0.000 0.245 95 P C 0.336 177.656 177.300 0.034 0.000 1.203 95 P CA -0.001 63.120 63.100 0.036 0.000 0.792 95 P CB 0.206 31.930 31.700 0.040 0.000 0.997 96 C N 0.868 120.190 119.300 0.037 0.000 2.520 96 C HA 0.604 5.070 4.460 0.010 0.000 0.376 96 C C 1.072 176.079 174.990 0.027 0.000 1.268 96 C CA 0.204 59.242 59.018 0.033 0.000 2.414 96 C CB 0.784 28.547 27.740 0.037 0.000 2.521 96 C HN 0.355 nan 8.230 nan 0.000 0.618 97 T N -1.822 112.745 114.554 0.022 0.000 2.843 97 T HA 0.406 4.762 4.350 0.010 0.000 0.302 97 T C -2.506 172.203 174.700 0.014 0.000 1.232 97 T CA -1.070 61.040 62.100 0.017 0.000 1.009 97 T CB 1.260 70.136 68.868 0.014 0.000 1.254 97 T HN 0.259 nan 8.240 nan 0.000 0.504 98 P HA 0.001 nan 4.420 nan 0.000 0.221 98 P C 1.474 178.779 177.300 0.007 0.000 1.145 98 P CA 0.679 63.784 63.100 0.008 0.000 0.795 98 P CB 0.143 31.846 31.700 0.005 0.000 0.775 99 R N -0.240 120.265 120.500 0.007 0.000 2.075 99 R HA -0.036 4.310 4.340 0.010 0.000 0.226 99 R C 0.654 176.958 176.300 0.007 0.000 1.114 99 R CA 0.915 57.018 56.100 0.006 0.000 0.972 99 R CB 0.194 30.498 30.300 0.006 0.000 0.869 99 R HN 0.062 nan 8.270 nan 0.000 0.437 100 R N -0.235 120.271 120.500 0.009 0.000 2.643 100 R HA 0.166 4.511 4.340 0.010 0.000 0.269 100 R C -1.805 174.503 176.300 0.014 0.000 1.037 100 R CA -0.724 55.381 56.100 0.009 0.000 0.894 100 R CB 0.255 30.560 30.300 0.010 0.000 1.238 100 R HN 0.101 nan 8.270 nan 0.000 0.459 101 C N 4.066 123.374 119.300 0.013 0.000 2.325 101 C HA 0.531 4.997 4.460 0.010 0.000 0.347 101 C C 0.791 175.796 174.990 0.024 0.000 1.263 101 C CA -0.628 58.401 59.018 0.018 0.000 1.806 101 C CB -1.006 26.740 27.740 0.010 0.000 2.405 101 C HN 0.758 nan 8.230 nan 0.000 0.537 102 L N 5.915 127.158 121.223 0.033 0.000 3.017 102 L HA 0.282 4.628 4.340 0.010 0.000 0.255 102 L C 2.037 178.941 176.870 0.056 0.000 1.247 102 L CA 0.193 55.058 54.840 0.041 0.000 1.038 102 L CB -0.092 41.990 42.059 0.038 0.000 1.380 102 L HN 1.023 nan 8.230 nan 0.000 0.548 103 G N 0.366 109.201 108.800 0.058 0.000 2.462 103 G HA2 -0.282 3.684 3.960 0.010 0.000 0.220 103 G HA3 -0.282 3.684 3.960 0.010 0.000 0.220 103 G C 1.641 176.610 174.900 0.115 0.000 1.121 103 G CA 1.186 46.333 45.100 0.079 0.000 0.758 103 G HN 0.520 nan 8.290 nan 0.000 0.559 104 S N -0.496 115.270 115.700 0.111 0.000 2.561 104 S HA 0.253 4.728 4.470 0.010 0.000 0.225 104 S C 0.790 175.484 174.600 0.157 0.000 0.977 104 S CA -0.359 57.929 58.200 0.146 0.000 0.926 104 S CB -0.099 63.165 63.200 0.106 0.000 0.769 104 S HN -0.005 nan 8.310 nan 0.000 0.533 105 L N 2.409 123.705 121.223 0.122 0.000 2.455 105 L HA 0.190 4.536 4.340 0.010 0.000 0.272 105 L C 1.392 178.357 176.870 0.159 0.000 1.174 105 L CA 0.240 55.148 54.840 0.114 0.000 0.869 105 L CB 0.655 42.760 42.059 0.077 0.000 1.130 105 L HN 0.003 nan 8.230 nan 0.000 0.474 106 V N 4.205 124.225 119.914 0.178 0.000 2.283 106 V HA -0.128 3.997 4.120 0.010 0.000 0.243 106 V C 1.062 177.248 176.094 0.152 0.000 1.039 106 V CA 1.296 63.742 62.300 0.243 0.000 1.016 106 V CB -0.278 31.686 31.823 0.235 0.000 0.650 106 V HN 0.537 nan 8.190 nan 0.000 0.449 107 L N 2.777 124.037 121.223 0.061 0.000 2.679 107 L HA 0.353 4.699 4.340 0.010 0.000 0.238 107 L C -2.370 174.526 176.870 0.044 0.000 1.330 107 L CA -1.200 53.651 54.840 0.018 0.000 0.935 107 L CB 0.693 42.686 42.059 -0.111 0.000 1.243 107 L HN 0.246 nan 8.230 nan 0.000 0.484 108 P HA 0.112 nan 4.420 nan 0.000 0.276 108 P C -0.249 177.081 177.300 0.049 0.000 1.235 108 P CA -0.549 62.583 63.100 0.053 0.000 0.772 108 P CB 0.897 32.630 31.700 0.056 0.000 0.871 109 R N 3.608 124.127 120.500 0.032 0.000 3.097 109 R HA 0.036 4.382 4.340 0.010 0.000 0.212 109 R C 0.778 177.096 176.300 0.030 0.000 1.651 109 R CA 0.409 56.525 56.100 0.027 0.000 1.134 109 R CB -0.452 29.856 30.300 0.014 0.000 1.241 109 R HN 0.479 nan 8.270 nan 0.000 0.640 110 K N 0.283 120.707 120.400 0.040 0.000 3.248 110 K HA 0.169 4.495 4.320 0.010 0.000 0.255 110 K C 1.859 178.478 176.600 0.033 0.000 1.395 110 K CA -0.187 56.120 56.287 0.034 0.000 1.139 110 K CB -0.743 31.778 32.500 0.036 0.000 2.091 110 K HN 0.034 nan 8.250 nan 0.000 0.408 111 L N 2.312 123.556 121.223 0.035 0.000 2.081 111 L HA -0.105 4.241 4.340 0.010 0.000 0.212 111 L C 0.953 177.845 176.870 0.037 0.000 1.080 111 L CA 0.972 55.827 54.840 0.024 0.000 0.754 111 L CB -1.072 40.988 42.059 0.002 0.000 0.893 111 L HN 0.375 nan 8.230 nan 0.000 0.433 112 Q N 1.665 121.507 119.800 0.070 0.000 3.970 112 Q HA -0.190 4.156 4.340 0.010 0.000 0.367 112 Q C 0.133 176.154 176.000 0.034 0.000 1.189 112 Q CA 0.754 56.601 55.803 0.072 0.000 1.212 112 Q CB -0.517 28.252 28.738 0.051 0.000 1.037 112 Q HN 0.491 nan 8.270 nan 0.000 0.474 113 T N 2.197 116.771 114.554 0.034 0.000 4.280 113 T HA 0.238 4.594 4.350 0.010 0.000 0.245 113 T C 0.206 174.901 174.700 -0.008 0.000 1.100 113 T CA -0.693 61.412 62.100 0.008 0.000 1.137 113 T CB -0.018 68.854 68.868 0.008 0.000 1.296 113 T HN 0.433 nan 8.240 nan 0.000 0.998 114 R N 2.905 123.397 120.500 -0.014 0.000 2.623 114 R HA 0.248 4.594 4.340 0.010 0.000 0.271 114 R C -2.434 173.846 176.300 -0.034 0.000 1.043 114 R CA -1.741 54.341 56.100 -0.031 0.000 1.083 114 R CB -0.418 29.866 30.300 -0.027 0.000 0.974 114 R HN 0.292 nan 8.270 nan 0.000 0.436 115 P HA -0.020 nan 4.420 nan 0.000 0.257 115 P C -1.040 176.241 177.300 -0.031 0.000 1.189 115 P CA 0.551 63.625 63.100 -0.042 0.000 0.780 115 P CB 0.438 32.106 31.700 -0.054 0.000 0.772 116 S N 3.560 119.243 115.700 -0.027 0.000 2.891 116 S HA 0.350 4.826 4.470 0.010 0.000 0.186 116 S C -1.614 172.973 174.600 -0.020 0.000 1.401 116 S CA -1.195 56.992 58.200 -0.022 0.000 1.035 116 S CB 0.038 63.226 63.200 -0.020 0.000 1.293 116 S HN 0.171 nan 8.310 nan 0.000 0.493 117 P HA -0.054 nan 4.420 nan 0.000 0.203 117 P C 1.055 178.348 177.300 -0.011 0.000 1.002 117 P CA 1.266 64.358 63.100 -0.013 0.000 0.964 117 P CB -0.703 30.991 31.700 -0.010 0.000 0.727 118 G N 1.223 110.019 108.800 -0.007 0.000 2.163 118 G HA2 0.039 4.004 3.960 0.010 0.000 0.239 118 G HA3 0.039 4.004 3.960 0.010 0.000 0.239 118 G C -2.228 172.669 174.900 -0.005 0.000 1.148 118 G CA -0.501 44.597 45.100 -0.004 0.000 0.880 118 G HN 0.188 nan 8.290 nan 0.000 0.466 119 P HA 0.025 nan 4.420 nan 0.000 0.264 119 P C -1.748 175.550 177.300 -0.003 0.000 1.173 119 P CA -0.350 62.748 63.100 -0.003 0.000 0.761 119 P CB 0.108 31.810 31.700 0.004 0.000 0.794 120 P HA 0.235 nan 4.420 nan 0.000 0.274 120 P C -2.541 174.764 177.300 0.008 0.000 1.231 120 P CA -1.727 61.373 63.100 -0.001 0.000 0.790 120 P CB -0.475 31.222 31.700 -0.005 0.000 0.951 121 P HA 0.014 nan 4.420 nan 0.000 0.257 121 P C 0.971 178.282 177.300 0.018 0.000 1.189 121 P CA 0.309 63.416 63.100 0.012 0.000 0.780 121 P CB -0.074 31.632 31.700 0.010 0.000 0.772 122 A N 4.020 126.852 122.820 0.020 0.000 1.997 122 A HA -0.289 4.036 4.320 0.010 0.000 0.221 122 A C 2.129 179.726 177.584 0.021 0.000 1.172 122 A CA 1.975 54.027 52.037 0.025 0.000 0.645 122 A CB -0.861 18.153 19.000 0.023 0.000 0.813 122 A HN 0.580 nan 8.150 nan 0.000 0.454 123 E N -0.965 119.245 120.200 0.016 0.000 2.106 123 E HA -0.234 4.122 4.350 0.010 0.000 0.192 123 E C 2.235 178.845 176.600 0.017 0.000 0.984 123 E CA 1.257 57.664 56.400 0.013 0.000 0.806 123 E CB -0.120 29.585 29.700 0.010 0.000 0.750 123 E HN 0.831 nan 8.360 nan 0.000 0.458 124 Q N 0.173 119.985 119.800 0.019 0.000 2.096 124 Q HA -0.152 4.194 4.340 0.010 0.000 0.197 124 Q C 2.279 178.299 176.000 0.034 0.000 0.964 124 Q CA 0.984 56.801 55.803 0.023 0.000 0.838 124 Q CB -0.096 28.654 28.738 0.019 0.000 0.906 124 Q HN 0.317 nan 8.270 nan 0.000 0.444 125 L N 0.676 121.923 121.223 0.041 0.000 2.046 125 L HA -0.140 4.206 4.340 0.010 0.000 0.208 125 L C 2.076 178.990 176.870 0.074 0.000 1.077 125 L CA 1.456 56.337 54.840 0.068 0.000 0.747 125 L CB -0.739 41.368 42.059 0.079 0.000 0.896 125 L HN 0.390 nan 8.230 nan 0.000 0.432 126 L N -0.920 120.326 121.223 0.038 0.000 2.017 126 L HA -0.174 4.172 4.340 0.010 0.000 0.208 126 L C 2.567 179.443 176.870 0.010 0.000 1.073 126 L CA 2.037 56.878 54.840 0.001 0.000 0.745 126 L CB -0.801 41.253 42.059 -0.008 0.000 0.894 126 L HN 0.309 nan 8.230 nan 0.000 0.432 127 S N -0.927 114.788 115.700 0.025 0.000 2.370 127 S HA -0.274 4.202 4.470 0.010 0.000 0.226 127 S C 1.893 176.529 174.600 0.060 0.000 1.033 127 S CA 1.577 59.797 58.200 0.034 0.000 1.011 127 S CB -0.301 62.918 63.200 0.031 0.000 0.852 127 S HN 0.538 nan 8.310 nan 0.000 0.457 128 Q N 0.304 120.149 119.800 0.075 0.000 2.079 128 Q HA -0.002 4.344 4.340 0.010 0.000 0.200 128 Q C 2.506 178.607 176.000 0.168 0.000 0.974 128 Q CA 1.267 57.136 55.803 0.110 0.000 0.840 128 Q CB -0.307 28.488 28.738 0.096 0.000 0.898 128 Q HN 0.602 nan 8.270 nan 0.000 0.430 129 A N 1.066 123.973 122.820 0.145 0.000 1.898 129 A HA -0.183 4.143 4.320 0.010 0.000 0.216 129 A C 1.961 179.620 177.584 0.125 0.000 1.181 129 A CA 1.187 53.311 52.037 0.145 0.000 0.620 129 A CB -0.352 18.530 19.000 -0.197 0.000 0.819 129 A HN 0.202 nan 8.150 nan 0.000 0.442 130 R N -0.625 119.910 120.500 0.058 0.000 2.081 130 R HA -0.169 4.177 4.340 0.010 0.000 0.235 130 R C 2.002 178.374 176.300 0.119 0.000 1.131 130 R CA 1.659 57.796 56.100 0.062 0.000 0.960 130 R CB -0.437 29.878 30.300 0.025 0.000 0.856 130 R HN 0.725 nan 8.270 nan 0.000 0.436 131 D N 0.054 120.535 120.400 0.136 0.000 2.097 131 D HA -0.208 4.438 4.640 0.010 0.000 0.195 131 D C 1.654 178.075 176.300 0.202 0.000 0.989 131 D CA 0.997 55.087 54.000 0.150 0.000 0.827 131 D CB -0.070 40.816 40.800 0.143 0.000 0.966 131 D HN 0.120 nan 8.370 nan 0.000 0.456 132 F N 0.870 120.907 119.950 0.146 0.000 2.134 132 F HA -0.091 4.441 4.527 0.009 0.000 0.299 132 F C 1.919 177.861 175.800 0.236 0.000 1.097 132 F CA 1.046 59.167 58.000 0.202 0.000 1.264 132 F CB -0.256 38.870 39.000 0.211 0.000 1.001 132 F HN 0.007 nan 8.300 nan 0.000 0.479 133 I N 0.837 121.403 120.570 -0.006 0.000 2.286 133 I HA -0.291 3.884 4.170 0.010 0.000 0.248 133 I C 1.949 178.087 176.117 0.036 0.000 1.115 133 I CA 1.147 62.446 61.300 -0.001 0.000 1.392 133 I CB -1.645 36.465 38.000 0.184 0.000 1.065 133 I HN 0.224 nan 8.210 nan 0.000 0.418 134 N N 0.941 119.694 118.700 0.089 0.000 2.120 134 N HA -0.176 4.570 4.740 0.010 0.000 0.188 134 N C 1.843 177.301 175.510 -0.086 0.000 1.024 134 N CA 1.050 54.140 53.050 0.068 0.000 0.852 134 N CB -0.313 38.260 38.487 0.144 0.000 1.003 134 N HN 0.491 nan 8.380 nan 0.000 0.424 135 Q N -0.653 119.105 119.800 -0.071 0.000 2.084 135 Q HA -0.179 4.166 4.340 0.010 0.000 0.202 135 Q C 1.731 177.513 176.000 -0.364 0.000 0.978 135 Q CA 1.245 57.010 55.803 -0.063 0.000 0.844 135 Q CB -0.260 28.577 28.738 0.165 0.000 0.898 135 Q HN 0.446 nan 8.270 nan 0.000 0.426 136 Y N 0.153 120.012 120.300 -0.736 0.000 2.114 136 Y HA -0.293 4.262 4.550 0.008 0.000 0.284 136 Y C 1.780 177.159 175.900 -0.868 0.000 1.143 136 Y CA 1.610 59.027 58.100 -1.139 0.000 1.135 136 Y CB -0.574 37.289 38.460 -0.995 0.000 0.980 136 Y HN 0.076 nan 8.280 nan 0.000 0.499 137 Y N -0.714 119.150 120.300 -0.728 0.000 2.333 137 Y HA -0.201 4.355 4.550 0.011 0.000 0.290 137 Y C 3.035 178.592 175.900 -0.570 0.000 1.144 137 Y CA 1.675 59.335 58.100 -0.734 0.000 1.228 137 Y CB -0.677 37.235 38.460 -0.914 0.000 0.985 137 Y HN 0.234 nan 8.280 nan 0.000 0.542 138 S N -0.627 114.850 115.700 -0.372 0.000 2.387 138 S HA -0.178 4.298 4.470 0.010 0.000 0.226 138 S C 2.345 176.776 174.600 -0.283 0.000 1.026 138 S CA 1.323 59.380 58.200 -0.238 0.000 0.972 138 S CB -0.622 62.492 63.200 -0.143 0.000 0.814 138 S HN 0.565 nan 8.310 nan 0.000 0.477 139 S N 1.942 117.378 115.700 -0.441 0.000 2.423 139 S HA -0.032 4.444 4.470 0.010 0.000 0.231 139 S C 1.629 175.993 174.600 -0.394 0.000 1.014 139 S CA 1.018 58.988 58.200 -0.384 0.000 0.965 139 S CB -0.937 61.914 63.200 -0.581 0.000 0.785 139 S HN 0.819 nan 8.310 nan 0.000 0.495 140 I N -3.161 117.073 120.570 -0.560 0.000 3.904 140 I HA 0.416 4.592 4.170 0.010 0.000 0.333 140 I C -0.364 175.589 176.117 -0.273 0.000 1.361 140 I CA -0.594 60.442 61.300 -0.440 0.000 1.116 140 I CB -0.087 37.542 38.000 -0.619 0.000 1.028 140 I HN -0.138 nan 8.210 nan 0.000 0.398 141 K N 2.164 122.430 120.400 -0.222 0.000 3.096 141 K HA -0.155 4.171 4.320 0.010 0.000 0.266 141 K C -0.050 176.498 176.600 -0.086 0.000 1.043 141 K CA 0.496 56.707 56.287 -0.128 0.000 0.758 141 K CB -1.555 30.889 32.500 -0.093 0.000 1.260 141 K HN 0.581 nan 8.250 nan 0.000 0.481 142 R N -0.596 119.857 120.500 -0.079 0.000 2.668 142 R HA 0.085 4.431 4.340 0.010 0.000 0.435 142 R C 0.115 176.463 176.300 0.080 0.000 1.059 142 R CA -0.260 55.855 56.100 0.025 0.000 1.073 142 R CB 0.900 31.255 30.300 0.092 0.000 1.401 142 R HN 0.191 nan 8.270 nan 0.000 0.590 143 S N -0.255 115.463 115.700 0.030 0.000 2.533 143 S HA 0.305 4.781 4.470 0.010 0.000 0.282 143 S C 1.365 176.071 174.600 0.177 0.000 1.304 143 S CA 1.413 59.683 58.200 0.118 0.000 1.063 143 S CB 0.477 63.707 63.200 0.050 0.000 0.881 143 S HN 0.730 nan 8.310 nan 0.000 0.493 144 G N 3.186 112.171 108.800 0.308 0.000 2.205 144 G HA2 -0.297 3.668 3.960 0.010 0.000 0.261 144 G HA3 -0.297 3.668 3.960 0.010 0.000 0.261 144 G C 0.339 175.240 174.900 0.002 0.000 0.980 144 G CA 0.520 45.648 45.100 0.047 0.000 0.632 144 G HN 1.658 nan 8.290 nan 0.000 0.533 145 S N -0.611 115.117 115.700 0.047 0.000 2.617 145 S HA 0.428 4.904 4.470 0.010 0.000 0.259 145 S C 1.327 175.906 174.600 -0.035 0.000 1.301 145 S CA 0.760 58.968 58.200 0.013 0.000 0.984 145 S CB 1.300 64.530 63.200 0.050 0.000 0.954 145 S HN 0.546 nan 8.310 nan 0.000 0.572 146 Q N 0.417 120.202 119.800 -0.025 0.000 2.079 146 Q HA -0.099 4.247 4.340 0.010 0.000 0.200 146 Q C 2.262 178.231 176.000 -0.053 0.000 0.974 146 Q CA 1.431 57.209 55.803 -0.041 0.000 0.840 146 Q CB -0.758 27.970 28.738 -0.017 0.000 0.898 146 Q HN 0.925 nan 8.270 nan 0.000 0.430 147 A N 0.131 122.942 122.820 -0.016 0.000 1.933 147 A HA -0.250 4.075 4.320 0.010 0.000 0.218 147 A C 1.870 179.315 177.584 -0.232 0.000 1.175 147 A CA 1.731 53.772 52.037 0.008 0.000 0.628 147 A CB -1.039 18.070 19.000 0.181 0.000 0.814 147 A HN 0.708 nan 8.150 nan 0.000 0.444 148 H N -0.831 117.846 119.070 -0.653 0.000 2.321 148 H HA -0.109 4.453 4.556 0.010 0.000 0.300 148 H C 1.894 176.874 175.328 -0.580 0.000 1.087 148 H CA 1.251 56.564 56.048 -1.225 0.000 1.319 148 H CB 0.148 29.427 29.762 -0.805 0.000 1.379 148 H HN 0.420 nan 8.280 nan 0.000 0.501 149 E N 0.643 120.644 120.200 -0.332 0.000 2.106 149 E HA -0.133 4.222 4.350 0.010 0.000 0.192 149 E C 2.076 178.576 176.600 -0.167 0.000 0.984 149 E CA 0.829 57.057 56.400 -0.286 0.000 0.806 149 E CB -0.046 29.523 29.700 -0.218 0.000 0.750 149 E HN 0.701 nan 8.360 nan 0.000 0.458 150 E N 0.560 120.688 120.200 -0.120 0.000 2.106 150 E HA -0.168 4.188 4.350 0.010 0.000 0.192 150 E C 2.159 178.739 176.600 -0.033 0.000 0.984 150 E CA 0.702 57.068 56.400 -0.058 0.000 0.806 150 E CB -0.044 29.641 29.700 -0.024 0.000 0.750 150 E HN -0.075 nan 8.360 nan 0.000 0.458 151 R N 1.421 121.899 120.500 -0.038 0.000 2.075 151 R HA -0.077 4.268 4.340 0.010 0.000 0.232 151 R C 2.056 178.364 176.300 0.013 0.000 1.126 151 R CA 1.145 57.270 56.100 0.042 0.000 0.963 151 R CB -0.583 29.806 30.300 0.147 0.000 0.858 151 R HN 0.158 nan 8.270 nan 0.000 0.435 152 L N 0.216 121.413 121.223 -0.043 0.000 2.131 152 L HA -0.191 4.155 4.340 0.010 0.000 0.210 152 L C 2.482 179.314 176.870 -0.062 0.000 1.092 152 L CA 1.567 56.371 54.840 -0.059 0.000 0.759 152 L CB -0.400 41.587 42.059 -0.121 0.000 0.903 152 L HN 0.344 nan 8.230 nan 0.000 0.435 153 Q N -0.404 119.363 119.800 -0.056 0.000 2.079 153 Q HA -0.186 4.160 4.340 0.010 0.000 0.200 153 Q C 2.058 178.047 176.000 -0.019 0.000 0.974 153 Q CA 1.210 56.989 55.803 -0.040 0.000 0.840 153 Q CB -0.031 28.685 28.738 -0.036 0.000 0.898 153 Q HN 0.542 nan 8.270 nan 0.000 0.430 154 E N 0.236 120.435 120.200 -0.001 0.000 2.012 154 E HA -0.200 4.156 4.350 0.010 0.000 0.197 154 E C 2.189 178.798 176.600 0.015 0.000 1.007 154 E CA 1.652 58.068 56.400 0.026 0.000 0.816 154 E CB -0.219 29.516 29.700 0.058 0.000 0.762 154 E HN 0.119 nan 8.360 nan 0.000 0.451 155 V N 1.929 121.827 119.914 -0.026 0.000 2.250 155 V HA -0.325 3.801 4.120 0.010 0.000 0.250 155 V C 2.153 178.178 176.094 -0.116 0.000 1.060 155 V CA 2.350 64.564 62.300 -0.142 0.000 1.030 155 V CB -0.699 30.929 31.823 -0.325 0.000 0.643 155 V HN 0.300 nan 8.190 nan 0.000 0.445 156 E N 0.187 120.336 120.200 -0.085 0.000 2.110 156 E HA -0.162 4.193 4.350 0.010 0.000 0.193 156 E C 2.273 178.865 176.600 -0.014 0.000 0.988 156 E CA 1.248 57.616 56.400 -0.052 0.000 0.804 156 E CB -0.337 29.335 29.700 -0.046 0.000 0.745 156 E HN 0.643 nan 8.360 nan 0.000 0.458 157 A N 1.487 124.306 122.820 -0.001 0.000 1.897 157 A HA -0.207 4.119 4.320 0.010 0.000 0.215 157 A C 2.076 179.685 177.584 0.041 0.000 1.181 157 A CA 1.422 53.470 52.037 0.017 0.000 0.620 157 A CB -0.356 18.654 19.000 0.018 0.000 0.821 157 A HN 0.243 nan 8.150 nan 0.000 0.443 158 E N -0.169 120.069 120.200 0.063 0.000 2.150 158 E HA -0.117 4.239 4.350 0.010 0.000 0.193 158 E C 1.649 178.320 176.600 0.118 0.000 0.985 158 E CA 1.365 57.831 56.400 0.110 0.000 0.814 158 E CB -0.072 29.734 29.700 0.176 0.000 0.752 158 E HN 0.302 nan 8.360 nan 0.000 0.466 159 V N 0.849 120.820 119.914 0.095 0.000 2.591 159 V HA -0.134 3.992 4.120 0.010 0.000 0.249 159 V C 2.359 178.489 176.094 0.060 0.000 1.053 159 V CA 1.413 63.769 62.300 0.093 0.000 1.068 159 V CB -0.408 31.455 31.823 0.066 0.000 0.689 159 V HN 0.436 nan 8.190 nan 0.000 0.462 160 A N 0.928 123.772 122.820 0.041 0.000 1.902 160 A HA -0.201 4.124 4.320 0.010 0.000 0.217 160 A C 2.511 180.116 177.584 0.035 0.000 1.181 160 A CA 2.418 54.473 52.037 0.030 0.000 0.623 160 A CB -0.603 18.409 19.000 0.020 0.000 0.818 160 A HN 0.667 nan 8.150 nan 0.000 0.443 161 S N -1.482 114.244 115.700 0.043 0.000 2.439 161 S HA -0.056 4.420 4.470 0.010 0.000 0.224 161 S C 1.701 176.331 174.600 0.050 0.000 1.029 161 S CA 1.467 59.692 58.200 0.042 0.000 0.946 161 S CB -0.585 62.639 63.200 0.041 0.000 0.797 161 S HN 0.767 nan 8.310 nan 0.000 0.504 162 T N -3.638 110.956 114.554 0.066 0.000 2.971 162 T HA 0.544 4.900 4.350 0.010 0.000 0.252 162 T C 1.631 176.371 174.700 0.066 0.000 1.022 162 T CA 0.822 62.966 62.100 0.073 0.000 0.980 162 T CB 0.163 69.093 68.868 0.104 0.000 1.044 162 T HN 1.156 nan 8.240 nan 0.000 0.501 163 G N 0.244 109.084 108.800 0.066 0.000 2.195 163 G HA2 -0.178 3.788 3.960 0.010 0.000 0.246 163 G HA3 -0.178 3.788 3.960 0.010 0.000 0.246 163 G C 0.217 175.156 174.900 0.065 0.000 0.984 163 G CA 0.552 45.685 45.100 0.055 0.000 0.633 163 G HN 1.013 nan 8.290 nan 0.000 0.525 164 T N -1.405 113.203 114.554 0.090 0.000 2.626 164 T HA 0.733 5.089 4.350 0.010 0.000 0.299 164 T C -1.089 173.731 174.700 0.201 0.000 1.181 164 T CA 0.492 62.646 62.100 0.089 0.000 1.053 164 T CB 1.405 70.239 68.868 -0.057 0.000 1.566 164 T HN 1.547 nan 8.240 nan 0.000 0.486 165 Y N -0.951 119.301 120.300 -0.079 0.000 2.840 165 Y HA 0.844 5.399 4.550 0.009 0.000 0.324 165 Y C -1.569 174.214 175.900 -0.195 0.000 1.378 165 Y CA -1.190 56.918 58.100 0.014 0.000 1.077 165 Y CB 0.835 39.328 38.460 0.055 0.000 1.361 165 Y HN 0.776 nan 8.280 nan 0.000 0.459 166 H N 0.320 119.426 119.070 0.060 0.000 2.821 166 H HA 0.664 5.226 4.556 0.009 0.000 0.373 166 H C -1.184 174.210 175.328 0.109 0.000 1.165 166 H CA -0.849 55.174 56.048 -0.042 0.000 1.154 166 H CB 2.055 31.833 29.762 0.026 0.000 1.765 166 H HN 0.713 nan 8.280 nan 0.000 0.549 167 L N 1.940 123.254 121.223 0.153 0.000 2.343 167 L HA 0.505 4.851 4.340 0.010 0.000 0.275 167 L C 0.572 177.525 176.870 0.138 0.000 1.056 167 L CA -0.778 54.176 54.840 0.189 0.000 0.804 167 L CB 1.008 43.149 42.059 0.136 0.000 1.203 167 L HN 0.418 nan 8.230 nan 0.000 0.440 168 R N 0.908 121.466 120.500 0.096 0.000 2.637 168 R HA 0.037 4.383 4.340 0.010 0.000 0.269 168 R C 1.058 177.357 176.300 -0.001 0.000 1.089 168 R CA -0.399 55.724 56.100 0.038 0.000 1.177 168 R CB 0.789 31.088 30.300 -0.001 0.000 1.091 168 R HN 0.668 nan 8.270 nan 0.000 0.540 169 E N 1.036 121.234 120.200 -0.004 0.000 2.048 169 E HA -0.272 4.084 4.350 0.010 0.000 0.202 169 E C 1.592 178.176 176.600 -0.026 0.000 1.021 169 E CA 2.422 58.812 56.400 -0.018 0.000 0.825 169 E CB -0.008 29.687 29.700 -0.009 0.000 0.756 169 E HN 0.681 nan 8.360 nan 0.000 0.454 170 S N 0.075 115.759 115.700 -0.027 0.000 2.442 170 S HA -0.172 4.304 4.470 0.010 0.000 0.236 170 S C 1.677 176.254 174.600 -0.038 0.000 1.007 170 S CA 1.310 59.514 58.200 0.007 0.000 0.965 170 S CB -0.323 62.916 63.200 0.065 0.000 0.773 170 S HN 0.346 nan 8.310 nan 0.000 0.504 171 E N 0.775 120.845 120.200 -0.217 0.000 2.107 171 E HA -0.030 4.325 4.350 0.010 0.000 0.191 171 E C 2.004 178.724 176.600 0.201 0.000 0.982 171 E CA 0.984 57.275 56.400 -0.182 0.000 0.809 171 E CB -0.307 29.309 29.700 -0.140 0.000 0.756 171 E HN 0.447 nan 8.360 nan 0.000 0.459 172 L N 0.959 122.211 121.223 0.048 0.000 2.027 172 L HA -0.142 4.203 4.340 0.010 0.000 0.206 172 L C 2.219 179.069 176.870 -0.032 0.000 1.074 172 L CA 1.359 56.167 54.840 -0.053 0.000 0.745 172 L CB -0.373 41.595 42.059 -0.151 0.000 0.898 172 L HN -0.079 nan 8.230 nan 0.000 0.433 173 V N -0.288 119.635 119.914 0.015 0.000 2.287 173 V HA -0.332 3.794 4.120 0.010 0.000 0.248 173 V C 2.363 178.536 176.094 0.132 0.000 1.053 173 V CA 2.262 64.583 62.300 0.035 0.000 1.027 173 V CB -0.995 30.855 31.823 0.046 0.000 0.646 173 V HN 0.577 nan 8.190 nan 0.000 0.447 174 F N 2.050 122.074 119.950 0.123 0.000 2.095 174 F HA -0.074 4.458 4.527 0.008 0.000 0.298 174 F C 2.171 178.109 175.800 0.230 0.000 1.104 174 F CA 1.815 59.945 58.000 0.217 0.000 1.232 174 F CB -0.988 38.212 39.000 0.333 0.000 0.987 174 F HN 0.121 nan 8.300 nan 0.000 0.475 175 G N -0.291 108.559 108.800 0.083 0.000 2.418 175 G HA2 -0.194 3.772 3.960 0.010 0.000 0.217 175 G HA3 -0.194 3.772 3.960 0.010 0.000 0.217 175 G C 1.829 176.583 174.900 -0.243 0.000 1.158 175 G CA 0.864 45.896 45.100 -0.112 0.000 0.771 175 G HN 0.657 nan 8.290 nan 0.000 0.545 176 A N 0.951 123.664 122.820 -0.177 0.000 1.877 176 A HA -0.029 4.296 4.320 0.010 0.000 0.216 176 A C 2.314 179.883 177.584 -0.024 0.000 1.186 176 A CA 2.004 53.947 52.037 -0.157 0.000 0.620 176 A CB -0.361 18.573 19.000 -0.109 0.000 0.822 176 A HN 0.386 nan 8.150 nan 0.000 0.443 177 K N -0.825 119.599 120.400 0.040 0.000 2.097 177 K HA -0.122 4.204 4.320 0.010 0.000 0.205 177 K C 2.285 178.946 176.600 0.102 0.000 1.050 177 K CA 1.242 57.663 56.287 0.224 0.000 0.938 177 K CB -0.145 32.536 32.500 0.303 0.000 0.718 177 K HN 0.377 nan 8.250 nan 0.000 0.442 178 Q N 0.334 120.008 119.800 -0.209 0.000 2.124 178 Q HA -0.096 4.250 4.340 0.010 0.000 0.202 178 Q C 2.206 178.065 176.000 -0.235 0.000 0.977 178 Q CA 1.537 57.126 55.803 -0.356 0.000 0.850 178 Q CB -0.303 28.106 28.738 -0.548 0.000 0.901 178 Q HN 0.332 nan 8.270 nan 0.000 0.429 179 A N 0.253 122.932 122.820 -0.235 0.000 1.908 179 A HA -0.195 4.131 4.320 0.010 0.000 0.218 179 A C 1.826 179.440 177.584 0.050 0.000 1.181 179 A CA 1.486 53.333 52.037 -0.317 0.000 0.627 179 A CB -0.969 17.492 19.000 -0.898 0.000 0.818 179 A HN 0.542 nan 8.150 nan 0.000 0.445 180 W N 0.885 122.205 121.300 0.034 0.000 2.378 180 W HA -0.114 4.551 4.660 0.007 0.000 0.313 180 W C 2.351 178.843 176.519 -0.044 0.000 1.197 180 W CA 1.519 58.923 57.345 0.097 0.000 1.304 180 W CB -0.776 28.725 29.460 0.068 0.000 1.148 180 W HN 0.370 nan 8.180 nan 0.000 0.494 181 R N 0.405 120.849 120.500 -0.093 0.000 2.139 181 R HA -0.204 4.142 4.340 0.010 0.000 0.243 181 R C 1.591 177.734 176.300 -0.263 0.000 1.145 181 R CA 1.880 57.707 56.100 -0.456 0.000 0.976 181 R CB -0.561 29.168 30.300 -0.952 0.000 0.866 181 R HN 0.112 nan 8.270 nan 0.000 0.449 182 N N 0.295 118.900 118.700 -0.159 0.000 2.463 182 N HA 0.017 4.763 4.740 0.010 0.000 0.181 182 N C -0.269 175.198 175.510 -0.071 0.000 1.078 182 N CA 0.693 53.670 53.050 -0.121 0.000 0.902 182 N CB 0.285 38.702 38.487 -0.116 0.000 0.970 182 N HN 0.180 nan 8.380 nan 0.000 0.451 183 A N 2.131 124.957 122.820 0.011 0.000 2.496 183 A HA 0.180 4.506 4.320 0.010 0.000 0.278 183 A C -1.255 176.306 177.584 -0.039 0.000 1.137 183 A CA -0.816 51.225 52.037 0.007 0.000 0.805 183 A CB 0.234 19.283 19.000 0.082 0.000 1.077 183 A HN 0.032 nan 8.150 nan 0.000 0.513 184 P HA -0.103 nan 4.420 nan 0.000 0.220 184 P C 1.094 178.332 177.300 -0.104 0.000 1.148 184 P CA 1.128 64.161 63.100 -0.112 0.000 0.803 184 P CB 0.171 31.770 31.700 -0.168 0.000 0.782 185 R N -2.230 118.169 120.500 -0.168 0.000 2.317 185 R HA 0.154 4.500 4.340 0.010 0.000 0.208 185 R C 0.241 176.529 176.300 -0.021 0.000 0.914 185 R CA -0.120 55.895 56.100 -0.143 0.000 1.060 185 R CB -0.370 29.638 30.300 -0.486 0.000 1.015 185 R HN 0.166 nan 8.270 nan 0.000 0.498 186 C N 0.763 120.043 119.300 -0.034 0.000 2.303 186 C HA 0.213 4.678 4.460 0.010 0.000 0.341 186 C C 1.881 176.824 174.990 -0.079 0.000 1.244 186 C CA -0.639 58.384 59.018 0.009 0.000 1.765 186 C CB 0.471 28.280 27.740 0.115 0.000 2.379 186 C HN 0.283 nan 8.230 nan 0.000 0.530 187 V N 6.052 125.873 119.914 -0.154 0.000 3.461 187 V HA 0.200 4.326 4.120 0.010 0.000 0.267 187 V C 1.765 177.865 176.094 0.011 0.000 1.186 187 V CA 2.078 64.183 62.300 -0.325 0.000 1.154 187 V CB -0.127 31.526 31.823 -0.283 0.000 0.802 187 V HN 1.066 nan 8.190 nan 0.000 0.474 188 G N -0.651 108.195 108.800 0.077 0.000 3.371 188 G HA2 0.052 4.018 3.960 0.010 0.000 0.248 188 G HA3 0.052 4.018 3.960 0.010 0.000 0.248 188 G C 1.210 176.153 174.900 0.072 0.000 1.161 188 G CA -0.348 44.821 45.100 0.115 0.000 0.796 188 G HN 0.433 nan 8.290 nan 0.000 0.539 189 R N -0.164 120.298 120.500 -0.064 0.000 2.341 189 R HA 0.093 4.439 4.340 0.010 0.000 0.213 189 R C 1.974 177.862 176.300 -0.686 0.000 1.082 189 R CA 0.201 55.984 56.100 -0.529 0.000 1.017 189 R CB -0.164 29.790 30.300 -0.576 0.000 0.860 189 R HN 0.461 nan 8.270 nan 0.000 0.473 190 I N 0.811 121.160 120.570 -0.367 0.000 2.614 190 I HA -0.234 3.942 4.170 0.010 0.000 0.258 190 I C 1.305 177.352 176.117 -0.116 0.000 1.189 190 I CA 1.242 62.486 61.300 -0.094 0.000 1.462 190 I CB 0.172 38.214 38.000 0.070 0.000 1.092 190 I HN 0.200 nan 8.210 nan 0.000 0.442 191 Q N 0.524 120.193 119.800 -0.219 0.000 2.360 191 Q HA -0.096 4.250 4.340 0.010 0.000 0.202 191 Q C 1.637 177.232 176.000 -0.675 0.000 0.915 191 Q CA 0.369 56.026 55.803 -0.242 0.000 0.943 191 Q CB -0.186 28.572 28.738 0.034 0.000 1.064 191 Q HN 0.785 nan 8.270 nan 0.000 0.511 192 W N 0.355 120.940 121.300 -1.192 0.000 2.308 192 W HA -0.179 4.489 4.660 0.013 0.000 0.301 192 W C 1.220 177.422 176.519 -0.529 0.000 1.220 192 W CA 1.298 57.780 57.345 -1.439 0.000 1.240 192 W CB -1.368 27.467 29.460 -1.043 0.000 1.142 192 W HN 0.076 nan 8.180 nan 0.000 0.521 193 G N 1.180 109.185 108.800 -1.326 0.000 2.471 193 G HA2 -0.219 3.747 3.960 0.010 0.000 0.219 193 G HA3 -0.219 3.747 3.960 0.010 0.000 0.219 193 G C 0.905 175.544 174.900 -0.435 0.000 1.125 193 G CA 0.347 44.765 45.100 -1.136 0.000 0.775 193 G HN 0.277 nan 8.290 nan 0.000 0.548 194 K N 0.128 120.378 120.400 -0.249 0.000 2.356 194 K HA 0.515 4.841 4.320 0.010 0.000 0.243 194 K C -1.607 175.086 176.600 0.154 0.000 1.072 194 K CA -0.647 55.621 56.287 -0.031 0.000 1.014 194 K CB 0.285 32.794 32.500 0.016 0.000 1.523 194 K HN 0.072 nan 8.250 nan 0.000 0.455 195 L N 3.081 124.381 121.223 0.127 0.000 2.438 195 L HA 0.336 4.681 4.340 0.010 0.000 0.270 195 L C -1.331 175.525 176.870 -0.023 0.000 0.972 195 L CA -0.427 54.508 54.840 0.159 0.000 0.831 195 L CB 1.942 44.181 42.059 0.298 0.000 1.273 195 L HN 0.442 nan 8.230 nan 0.000 0.405 196 Q N 3.459 123.184 119.800 -0.124 0.000 2.337 196 Q HA 0.451 4.797 4.340 0.010 0.000 0.255 196 Q C -1.500 174.158 176.000 -0.570 0.000 0.997 196 Q CA -0.076 55.477 55.803 -0.416 0.000 0.925 196 Q CB 1.039 29.412 28.738 -0.608 0.000 1.212 196 Q HN 0.515 nan 8.270 nan 0.000 0.436 197 V N 6.610 126.228 119.914 -0.495 0.000 2.320 197 V HA 0.310 4.436 4.120 0.010 0.000 0.265 197 V C -0.537 175.271 176.094 -0.476 0.000 1.048 197 V CA -0.493 61.575 62.300 -0.388 0.000 0.865 197 V CB -0.302 31.394 31.823 -0.212 0.000 1.043 197 V HN 0.621 nan 8.190 nan 0.000 0.474 198 F N 2.804 122.607 119.950 -0.244 0.000 2.421 198 F HA 0.324 4.854 4.527 0.005 0.000 0.358 198 F C 0.710 176.328 175.800 -0.303 0.000 1.115 198 F CA -0.685 57.162 58.000 -0.255 0.000 1.160 198 F CB 0.669 39.512 39.000 -0.260 0.000 1.123 198 F HN 0.396 nan 8.300 nan 0.000 0.508 199 D N 3.226 123.575 120.400 -0.085 0.000 2.316 199 D HA 0.412 5.058 4.640 0.010 0.000 0.245 199 D C -0.134 175.993 176.300 -0.287 0.000 1.171 199 D CA 0.043 53.930 54.000 -0.189 0.000 0.856 199 D CB 1.281 42.012 40.800 -0.115 0.000 1.090 199 D HN 0.627 nan 8.370 nan 0.000 0.476 200 A N 4.651 127.152 122.820 -0.531 0.000 2.705 200 A HA 0.174 4.499 4.320 0.010 0.000 0.294 200 A C 1.264 178.587 177.584 -0.436 0.000 1.039 200 A CA -0.433 51.095 52.037 -0.848 0.000 1.005 200 A CB 0.065 17.997 19.000 -1.779 0.000 1.192 200 A HN 0.549 nan 8.150 nan 0.000 0.513 201 R N 0.610 120.975 120.500 -0.225 0.000 2.323 201 R HA -0.035 4.311 4.340 0.010 0.000 0.198 201 R C 0.463 176.748 176.300 -0.025 0.000 0.988 201 R CA 1.036 57.079 56.100 -0.095 0.000 1.041 201 R CB 0.109 30.406 30.300 -0.005 0.000 0.926 201 R HN 0.653 nan 8.270 nan 0.000 0.476 202 D N -1.073 119.331 120.400 0.006 0.000 2.369 202 D HA -0.049 4.596 4.640 0.010 0.000 0.211 202 D C 0.299 176.694 176.300 0.157 0.000 1.077 202 D CA -0.357 53.697 54.000 0.090 0.000 0.842 202 D CB -0.492 40.378 40.800 0.116 0.000 0.947 202 D HN -0.040 nan 8.370 nan 0.000 0.509 203 C N 2.019 121.412 119.300 0.156 0.000 2.633 203 C HA 0.314 4.780 4.460 0.010 0.000 0.415 203 C C 1.719 176.899 174.990 0.316 0.000 1.393 203 C CA 0.694 59.883 59.018 0.286 0.000 1.700 203 C CB -0.717 27.220 27.740 0.327 0.000 2.541 203 C HN 0.476 nan 8.230 nan 0.000 0.603 204 S N 2.473 118.377 115.700 0.339 0.000 2.733 204 S HA 0.278 4.754 4.470 0.010 0.000 0.247 204 S C 0.046 174.799 174.600 0.255 0.000 1.043 204 S CA 0.223 58.626 58.200 0.339 0.000 1.066 204 S CB -0.110 63.218 63.200 0.213 0.000 1.045 204 S HN 1.156 nan 8.310 nan 0.000 0.586 205 S N -0.248 115.602 115.700 0.250 0.000 2.579 205 S HA 0.820 5.296 4.470 0.010 0.000 0.272 205 S C 0.832 175.513 174.600 0.134 0.000 1.141 205 S CA -0.290 57.999 58.200 0.148 0.000 0.843 205 S CB 1.162 64.434 63.200 0.120 0.000 1.122 205 S HN 0.446 nan 8.310 nan 0.000 0.468 206 A N 0.954 123.827 122.820 0.089 0.000 1.933 206 A HA -0.089 4.237 4.320 0.010 0.000 0.218 206 A C 2.112 179.695 177.584 -0.002 0.000 1.175 206 A CA 2.176 54.258 52.037 0.075 0.000 0.628 206 A CB -1.166 17.931 19.000 0.162 0.000 0.814 206 A HN 0.933 nan 8.150 nan 0.000 0.444 207 Q N 0.211 120.082 119.800 0.119 0.000 2.124 207 Q HA -0.178 4.167 4.340 0.010 0.000 0.202 207 Q C 1.866 177.857 176.000 -0.016 0.000 0.977 207 Q CA 2.268 58.105 55.803 0.057 0.000 0.850 207 Q CB -0.378 28.484 28.738 0.207 0.000 0.901 207 Q HN 0.743 nan 8.270 nan 0.000 0.429 208 E N -0.824 119.413 120.200 0.062 0.000 2.150 208 E HA -0.144 4.212 4.350 0.010 0.000 0.193 208 E C 1.861 178.559 176.600 0.165 0.000 0.985 208 E CA 0.995 57.451 56.400 0.095 0.000 0.814 208 E CB -0.063 29.740 29.700 0.173 0.000 0.752 208 E HN 0.476 nan 8.360 nan 0.000 0.466 209 M N -0.239 119.418 119.600 0.095 0.000 2.117 209 M HA -0.146 4.340 4.480 0.010 0.000 0.262 209 M C 2.100 178.425 176.300 0.041 0.000 1.065 209 M CA 1.384 56.690 55.300 0.011 0.000 1.114 209 M CB -0.329 32.086 32.600 -0.309 0.000 1.361 209 M HN 0.206 nan 8.290 nan 0.000 0.408 210 F N 0.940 120.675 119.950 -0.359 0.000 2.134 210 F HA -0.241 4.293 4.527 0.012 0.000 0.299 210 F C 2.268 177.950 175.800 -0.196 0.000 1.097 210 F CA 1.756 59.486 58.000 -0.450 0.000 1.264 210 F CB -0.152 38.234 39.000 -1.024 0.000 1.001 210 F HN 0.050 nan 8.300 nan 0.000 0.479 211 T N -0.399 114.017 114.554 -0.230 0.000 2.674 211 T HA -0.249 4.107 4.350 0.010 0.000 0.265 211 T C 1.598 176.146 174.700 -0.254 0.000 1.039 211 T CA 1.921 63.841 62.100 -0.299 0.000 1.150 211 T CB -0.881 67.848 68.868 -0.231 0.000 0.864 211 T HN 0.358 nan 8.240 nan 0.000 0.427 212 Y N 0.981 121.232 120.300 -0.083 0.000 2.114 212 Y HA -0.124 4.430 4.550 0.008 0.000 0.282 212 Y C 2.368 178.212 175.900 -0.093 0.000 1.165 212 Y CA 0.964 59.028 58.100 -0.060 0.000 1.148 212 Y CB -0.390 38.143 38.460 0.122 0.000 0.972 212 Y HN 0.154 nan 8.280 nan 0.000 0.504 213 I N -1.459 119.189 120.570 0.130 0.000 2.226 213 I HA -0.368 3.808 4.170 0.010 0.000 0.245 213 I C 2.328 178.367 176.117 -0.131 0.000 1.100 213 I CA 0.971 62.278 61.300 0.011 0.000 1.374 213 I CB -0.504 37.494 38.000 -0.005 0.000 1.057 213 I HN 0.344 nan 8.210 nan 0.000 0.413 214 C N 0.670 119.777 119.300 -0.322 0.000 2.425 214 C HA -0.120 4.346 4.460 0.010 0.000 0.277 214 C C 2.619 177.499 174.990 -0.182 0.000 1.280 214 C CA 0.770 59.586 59.018 -0.336 0.000 1.744 214 C CB -1.379 26.029 27.740 -0.554 0.000 1.989 214 C HN 0.544 nan 8.230 nan 0.000 0.491 215 N N -0.071 118.516 118.700 -0.187 0.000 2.188 215 N HA -0.133 4.613 4.740 0.010 0.000 0.184 215 N C 1.435 176.846 175.510 -0.165 0.000 1.018 215 N CA 1.355 54.293 53.050 -0.188 0.000 0.858 215 N CB -0.763 37.562 38.487 -0.271 0.000 0.989 215 N HN 0.750 nan 8.380 nan 0.000 0.426 216 H N 0.644 119.556 119.070 -0.264 0.000 2.290 216 H HA 0.035 4.598 4.556 0.012 0.000 0.298 216 H C 2.148 177.477 175.328 0.001 0.000 1.087 216 H CA 1.628 57.572 56.048 -0.175 0.000 1.291 216 H CB -0.071 29.633 29.762 -0.096 0.000 1.369 216 H HN 0.076 nan 8.280 nan 0.000 0.492 217 I N 0.703 121.402 120.570 0.215 0.000 2.208 217 I HA -0.297 3.879 4.170 0.010 0.000 0.245 217 I C 2.435 178.622 176.117 0.117 0.000 1.097 217 I CA 1.511 62.899 61.300 0.147 0.000 1.363 217 I CB -0.272 37.737 38.000 0.015 0.000 1.051 217 I HN 0.340 nan 8.210 nan 0.000 0.413 218 K N -0.119 120.318 120.400 0.062 0.000 2.026 218 K HA -0.242 4.084 4.320 0.010 0.000 0.208 218 K C 2.256 178.909 176.600 0.088 0.000 1.048 218 K CA 1.829 58.145 56.287 0.048 0.000 0.929 218 K CB -0.434 32.072 32.500 0.009 0.000 0.713 218 K HN 0.254 nan 8.250 nan 0.000 0.439 219 Y N 1.344 121.648 120.300 0.007 0.000 2.200 219 Y HA -0.203 4.349 4.550 0.004 0.000 0.290 219 Y C 2.189 178.146 175.900 0.095 0.000 1.137 219 Y CA 1.383 59.519 58.100 0.061 0.000 1.163 219 Y CB -0.331 38.198 38.460 0.115 0.000 0.988 219 Y HN 0.048 nan 8.280 nan 0.000 0.518 220 A N -0.815 122.202 122.820 0.328 0.000 1.898 220 A HA -0.147 4.179 4.320 0.010 0.000 0.216 220 A C 2.213 179.889 177.584 0.152 0.000 1.181 220 A CA 2.188 54.385 52.037 0.267 0.000 0.620 220 A CB -1.267 17.930 19.000 0.329 0.000 0.819 220 A HN 0.495 nan 8.150 nan 0.000 0.442 221 T N -0.178 114.452 114.554 0.126 0.000 2.777 221 T HA -0.106 4.249 4.350 0.010 0.000 0.266 221 T C 1.077 175.798 174.700 0.035 0.000 1.040 221 T CA 1.212 63.369 62.100 0.095 0.000 1.141 221 T CB -0.456 68.460 68.868 0.081 0.000 0.868 221 T HN 0.670 nan 8.240 nan 0.000 0.444 222 N N 1.251 119.941 118.700 -0.016 0.000 2.699 222 N HA -0.266 4.480 4.740 0.010 0.000 0.256 222 N C -0.197 175.290 175.510 -0.037 0.000 0.993 222 N CA 0.560 53.569 53.050 -0.068 0.000 0.759 222 N CB -1.307 37.095 38.487 -0.141 0.000 0.906 222 N HN 0.487 nan 8.380 nan 0.000 0.541 223 R N -2.092 118.398 120.500 -0.017 0.000 3.741 223 R HA -0.226 4.119 4.340 0.010 0.000 0.292 223 R C 1.348 177.639 176.300 -0.016 0.000 1.176 223 R CA 1.180 57.271 56.100 -0.015 0.000 0.794 223 R CB -1.930 28.355 30.300 -0.024 0.000 1.213 223 R HN 0.971 nan 8.270 nan 0.000 0.494 224 G N -0.466 108.335 108.800 0.001 0.000 2.307 224 G HA2 -0.307 3.658 3.960 0.010 0.000 0.210 224 G HA3 -0.307 3.658 3.960 0.010 0.000 0.210 224 G C -0.031 174.869 174.900 -0.000 0.000 1.005 224 G CA -0.009 45.093 45.100 0.004 0.000 0.634 224 G HN 0.349 nan 8.290 nan 0.000 0.496 225 N N 1.582 120.268 118.700 -0.023 0.000 3.188 225 N HA 0.472 5.218 4.740 0.010 0.000 0.279 225 N C 0.464 175.961 175.510 -0.021 0.000 1.213 225 N CA -0.461 52.560 53.050 -0.049 0.000 1.138 225 N CB -0.365 38.085 38.487 -0.062 0.000 1.417 225 N HN 0.240 nan 8.380 nan 0.000 0.526 226 L N 1.535 122.780 121.223 0.037 0.000 2.554 226 L HA 0.031 4.377 4.340 0.010 0.000 0.293 226 L C 0.848 177.853 176.870 0.225 0.000 1.252 226 L CA 1.080 56.014 54.840 0.157 0.000 0.862 226 L CB 0.137 42.378 42.059 0.303 0.000 1.113 226 L HN 0.336 nan 8.230 nan 0.000 0.510 227 R N 1.284 121.932 120.500 0.247 0.000 2.532 227 R HA 0.427 4.773 4.340 0.010 0.000 0.297 227 R C -0.637 175.851 176.300 0.313 0.000 0.984 227 R CA -0.685 55.587 56.100 0.286 0.000 0.884 227 R CB 1.686 32.061 30.300 0.126 0.000 1.182 227 R HN 0.577 nan 8.270 nan 0.000 0.442 228 S N 1.467 117.340 115.700 0.288 0.000 2.560 228 S HA 0.450 4.926 4.470 0.010 0.000 0.284 228 S C -0.187 174.465 174.600 0.087 0.000 1.327 228 S CA -0.082 58.179 58.200 0.101 0.000 1.055 228 S CB 1.125 64.340 63.200 0.024 0.000 0.868 228 S HN 0.709 nan 8.310 nan 0.000 0.506 229 A N 2.462 125.291 122.820 0.015 0.000 2.601 229 A HA 0.828 5.154 4.320 0.010 0.000 0.291 229 A C -1.368 176.232 177.584 0.026 0.000 1.075 229 A CA -0.664 51.328 52.037 -0.075 0.000 0.671 229 A CB 1.138 20.044 19.000 -0.156 0.000 1.277 229 A HN 0.792 nan 8.150 nan 0.000 0.417 230 I N 0.112 120.693 120.570 0.019 0.000 2.752 230 I HA 0.633 4.809 4.170 0.010 0.000 0.295 230 I C -1.300 174.903 176.117 0.145 0.000 1.219 230 I CA -0.120 61.299 61.300 0.198 0.000 1.030 230 I CB 2.440 40.516 38.000 0.127 0.000 1.259 230 I HN 0.608 nan 8.210 nan 0.000 0.423 231 T N 6.173 120.824 114.554 0.162 0.000 2.786 231 T HA 0.450 4.805 4.350 0.010 0.000 0.283 231 T C -0.784 173.678 174.700 -0.395 0.000 0.992 231 T CA -0.354 61.681 62.100 -0.109 0.000 0.954 231 T CB 1.481 70.264 68.868 -0.141 0.000 0.934 231 T HN 0.257 nan 8.240 nan 0.000 0.440 232 V N 5.162 124.785 119.914 -0.485 0.000 2.350 232 V HA 0.472 4.598 4.120 0.010 0.000 0.276 232 V C -0.348 175.404 176.094 -0.570 0.000 1.028 232 V CA -0.770 61.243 62.300 -0.479 0.000 0.860 232 V CB -0.025 31.475 31.823 -0.538 0.000 0.990 232 V HN 0.704 nan 8.190 nan 0.000 0.453 233 F N 5.249 125.096 119.950 -0.172 0.000 2.362 233 F HA 0.501 5.035 4.527 0.011 0.000 0.311 233 F C -1.787 173.883 175.800 -0.218 0.000 1.161 233 F CA -2.466 55.351 58.000 -0.305 0.000 1.085 233 F CB 0.162 38.969 39.000 -0.322 0.000 1.311 233 F HN 0.294 nan 8.300 nan 0.000 0.524 234 P HA -0.029 nan 4.420 nan 0.000 0.265 234 P C -0.926 176.377 177.300 0.005 0.000 1.187 234 P CA -0.029 62.972 63.100 -0.164 0.000 0.766 234 P CB 0.207 31.689 31.700 -0.364 0.000 0.820 235 Q N 3.275 123.031 119.800 -0.075 0.000 2.535 235 Q HA 0.182 4.528 4.340 0.010 0.000 0.228 235 Q C -0.325 175.575 176.000 -0.166 0.000 1.062 235 Q CA -0.380 55.167 55.803 -0.426 0.000 0.967 235 Q CB 0.507 28.732 28.738 -0.855 0.000 1.273 235 Q HN 0.324 nan 8.270 nan 0.000 0.554 236 R N -0.090 120.287 120.500 -0.205 0.000 2.543 236 R HA 0.470 4.816 4.340 0.010 0.000 0.277 236 R C -0.710 175.536 176.300 -0.090 0.000 1.074 236 R CA 0.179 56.231 56.100 -0.080 0.000 1.076 236 R CB 0.860 31.107 30.300 -0.088 0.000 0.993 236 R HN 0.681 nan 8.270 nan 0.000 0.459 237 A N 4.327 127.134 122.820 -0.021 0.000 2.374 237 A HA 0.543 4.869 4.320 0.010 0.000 0.317 237 A C -2.434 175.145 177.584 -0.007 0.000 1.094 237 A CA -2.145 49.883 52.037 -0.015 0.000 0.765 237 A CB 1.116 20.134 19.000 0.030 0.000 1.268 237 A HN 0.433 nan 8.150 nan 0.000 0.438 238 P HA 0.153 nan 4.420 nan 0.000 0.260 238 P C 1.193 178.496 177.300 0.005 0.000 1.172 238 P CA 2.193 65.291 63.100 -0.003 0.000 0.760 238 P CB 0.449 32.151 31.700 0.003 0.000 0.773 239 G N 2.427 111.228 108.800 0.002 0.000 2.216 239 G HA2 -0.345 3.620 3.960 0.010 0.000 0.269 239 G HA3 -0.345 3.620 3.960 0.010 0.000 0.269 239 G C 0.496 175.399 174.900 0.006 0.000 0.981 239 G CA 0.203 45.305 45.100 0.004 0.000 0.658 239 G HN 0.692 nan 8.290 nan 0.000 0.539 240 R N 0.892 121.397 120.500 0.008 0.000 2.428 240 R HA 0.520 4.866 4.340 0.010 0.000 0.294 240 R C 1.093 177.394 176.300 0.001 0.000 1.000 240 R CA 0.063 56.168 56.100 0.008 0.000 0.960 240 R CB 0.447 30.760 30.300 0.022 0.000 1.076 240 R HN 0.251 nan 8.270 nan 0.000 0.475 241 G N 2.319 111.110 108.800 -0.015 0.000 2.559 241 G HA2 -0.032 3.933 3.960 0.010 0.000 0.235 241 G HA3 -0.032 3.933 3.960 0.010 0.000 0.235 241 G C -0.560 174.323 174.900 -0.028 0.000 1.266 241 G CA -0.345 44.740 45.100 -0.024 0.000 0.847 241 G HN 0.612 nan 8.290 nan 0.000 0.583 242 D N -0.191 120.210 120.400 0.001 0.000 2.283 242 D HA 0.334 4.980 4.640 0.010 0.000 0.248 242 D C -0.139 176.189 176.300 0.046 0.000 1.072 242 D CA -0.011 54.024 54.000 0.059 0.000 0.929 242 D CB 1.031 41.871 40.800 0.066 0.000 1.182 242 D HN 0.126 nan 8.370 nan 0.000 0.433 243 F N 1.423 121.401 119.950 0.046 0.000 2.427 243 F HA 0.328 4.861 4.527 0.011 0.000 0.352 243 F C 1.041 176.873 175.800 0.053 0.000 1.100 243 F CA 0.107 58.125 58.000 0.030 0.000 1.191 243 F CB 0.664 39.679 39.000 0.024 0.000 1.128 243 F HN -0.181 nan 8.300 nan 0.000 0.533 244 R N 3.542 124.170 120.500 0.214 0.000 2.668 244 R HA 0.520 4.866 4.340 0.010 0.000 0.272 244 R C -1.381 175.075 176.300 0.260 0.000 1.019 244 R CA -0.863 55.374 56.100 0.228 0.000 0.894 244 R CB 2.210 32.651 30.300 0.235 0.000 1.228 244 R HN 0.620 nan 8.270 nan 0.000 0.460 245 I N 2.015 122.729 120.570 0.240 0.000 2.354 245 I HA 0.175 4.351 4.170 0.010 0.000 0.286 245 I C 0.458 176.785 176.117 0.349 0.000 1.007 245 I CA -0.463 60.978 61.300 0.235 0.000 1.167 245 I CB 1.303 39.381 38.000 0.130 0.000 1.320 245 I HN 0.530 nan 8.210 nan 0.000 0.458 246 W N 3.461 124.807 121.300 0.076 0.000 2.388 246 W HA -0.092 4.573 4.660 0.009 0.000 0.294 246 W C 1.003 177.626 176.519 0.173 0.000 1.212 246 W CA 0.200 57.652 57.345 0.179 0.000 1.271 246 W CB -0.838 28.711 29.460 0.148 0.000 1.126 246 W HN 0.404 nan 8.180 nan 0.000 0.535 247 N N 0.186 119.053 118.700 0.277 0.000 2.441 247 N HA 0.002 4.747 4.740 0.010 0.000 0.251 247 N C 1.312 176.887 175.510 0.107 0.000 1.242 247 N CA 0.902 54.034 53.050 0.137 0.000 0.898 247 N CB 0.638 39.143 38.487 0.030 0.000 1.100 247 N HN -0.074 nan 8.380 nan 0.000 0.443 248 S N 0.658 116.411 115.700 0.089 0.000 2.428 248 S HA -0.043 4.433 4.470 0.010 0.000 0.230 248 S C 0.356 174.954 174.600 -0.004 0.000 1.014 248 S CA 0.682 58.922 58.200 0.066 0.000 0.957 248 S CB 0.063 63.322 63.200 0.098 0.000 0.784 248 S HN 0.652 nan 8.310 nan 0.000 0.499 249 Q N -0.787 118.994 119.800 -0.031 0.000 2.456 249 Q HA 0.508 4.854 4.340 0.010 0.000 0.283 249 Q C 0.143 176.058 176.000 -0.142 0.000 1.084 249 Q CA -0.571 55.170 55.803 -0.102 0.000 0.801 249 Q CB 1.936 30.639 28.738 -0.058 0.000 1.434 249 Q HN 0.124 nan 8.270 nan 0.000 0.419 250 L N 0.118 121.226 121.223 -0.191 0.000 2.217 250 L HA 0.046 4.392 4.340 0.010 0.000 0.211 250 L C 0.296 177.012 176.870 -0.257 0.000 1.107 250 L CA 0.730 55.457 54.840 -0.188 0.000 0.783 250 L CB 0.209 42.147 42.059 -0.202 0.000 0.919 250 L HN 0.241 nan 8.230 nan 0.000 0.442 251 V N 0.950 120.621 119.914 -0.406 0.000 2.444 251 V HA 0.490 4.616 4.120 0.010 0.000 0.294 251 V C -0.294 175.305 176.094 -0.826 0.000 1.022 251 V CA -0.677 61.205 62.300 -0.696 0.000 0.850 251 V CB 1.694 32.881 31.823 -1.060 0.000 0.992 251 V HN 0.161 nan 8.190 nan 0.000 0.426 252 R N 2.867 123.011 120.500 -0.594 0.000 2.668 252 R HA 0.499 4.845 4.340 0.010 0.000 0.272 252 R C -1.861 174.255 176.300 -0.306 0.000 1.019 252 R CA -0.796 55.087 56.100 -0.362 0.000 0.894 252 R CB 2.485 32.700 30.300 -0.142 0.000 1.228 252 R HN 0.563 nan 8.270 nan 0.000 0.460 253 Y N 0.418 120.724 120.300 0.009 0.000 2.308 253 Y HA 0.437 4.993 4.550 0.010 0.000 0.329 253 Y C 0.979 176.846 175.900 -0.055 0.000 1.111 253 Y CA -0.552 57.559 58.100 0.020 0.000 1.179 253 Y CB 1.261 39.801 38.460 0.134 0.000 1.201 253 Y HN 0.704 nan 8.280 nan 0.000 0.483 254 A N 1.735 124.584 122.820 0.048 0.000 2.448 254 A HA 0.508 4.834 4.320 0.010 0.000 0.239 254 A C 0.628 177.978 177.584 -0.391 0.000 1.080 254 A CA 0.369 52.264 52.037 -0.236 0.000 0.779 254 A CB -0.288 18.489 19.000 -0.372 0.000 1.026 254 A HN 0.966 nan 8.150 nan 0.000 0.499 255 G N 0.482 109.022 108.800 -0.433 0.000 2.782 255 G HA2 0.535 4.501 3.960 0.010 0.000 0.289 255 G HA3 0.535 4.501 3.960 0.010 0.000 0.289 255 G C -1.002 173.734 174.900 -0.272 0.000 1.463 255 G CA -0.279 44.633 45.100 -0.314 0.000 1.019 255 G HN 0.557 nan 8.290 nan 0.000 0.536 256 Y N 1.608 121.921 120.300 0.023 0.000 2.341 256 Y HA 0.452 5.008 4.550 0.010 0.000 0.340 256 Y C 0.971 176.872 175.900 0.001 0.000 0.997 256 Y CA -1.089 57.025 58.100 0.024 0.000 1.149 256 Y CB 1.403 39.875 38.460 0.020 0.000 1.171 256 Y HN 0.466 nan 8.280 nan 0.000 0.494 257 R N 2.952 123.543 120.500 0.152 0.000 2.537 257 R HA 0.108 4.454 4.340 0.010 0.000 0.280 257 R C -0.355 175.988 176.300 0.072 0.000 1.058 257 R CA 0.033 56.182 56.100 0.081 0.000 1.057 257 R CB 0.377 30.713 30.300 0.061 0.000 0.973 257 R HN 0.602 nan 8.270 nan 0.000 0.438 258 Q N 2.310 122.137 119.800 0.045 0.000 2.427 258 Q HA 0.154 4.500 4.340 0.010 0.000 0.232 258 Q C 0.626 176.635 176.000 0.015 0.000 1.018 258 Q CA -0.658 55.161 55.803 0.028 0.000 0.965 258 Q CB 0.751 29.502 28.738 0.023 0.000 1.232 258 Q HN 0.597 nan 8.270 nan 0.000 0.510 259 Q N 0.765 120.569 119.800 0.006 0.000 1.965 259 Q HA -0.189 4.157 4.340 0.010 0.000 0.200 259 Q C 1.258 177.261 176.000 0.004 0.000 0.981 259 Q CA 2.157 57.961 55.803 0.002 0.000 0.834 259 Q CB -0.288 28.447 28.738 -0.004 0.000 0.900 259 Q HN 0.729 nan 8.270 nan 0.000 0.426 260 D N -1.340 119.062 120.400 0.003 0.000 2.354 260 D HA -0.049 4.597 4.640 0.010 0.000 0.216 260 D C 1.000 177.304 176.300 0.007 0.000 0.970 260 D CA 1.126 55.129 54.000 0.004 0.000 0.905 260 D CB -0.296 40.506 40.800 0.003 0.000 0.903 260 D HN 0.411 nan 8.370 nan 0.000 0.508 261 G N -0.705 108.100 108.800 0.010 0.000 2.179 261 G HA2 -0.267 3.699 3.960 0.010 0.000 0.220 261 G HA3 -0.267 3.699 3.960 0.010 0.000 0.220 261 G C 0.548 175.456 174.900 0.013 0.000 0.990 261 G CA 0.347 45.455 45.100 0.012 0.000 0.646 261 G HN 0.819 nan 8.290 nan 0.000 0.517 262 S N -1.001 114.705 115.700 0.011 0.000 2.625 262 S HA 0.777 5.253 4.470 0.010 0.000 0.262 262 S C 0.130 174.735 174.600 0.009 0.000 1.223 262 S CA 0.071 58.276 58.200 0.008 0.000 0.993 262 S CB 2.049 65.252 63.200 0.005 0.000 1.051 262 S HN 1.140 nan 8.310 nan 0.000 0.562 263 V N 0.665 120.576 119.914 -0.005 0.000 2.709 263 V HA 0.556 4.682 4.120 0.010 0.000 0.308 263 V C -0.228 175.847 176.094 -0.031 0.000 1.062 263 V CA -0.806 61.486 62.300 -0.013 0.000 0.901 263 V CB 1.697 33.493 31.823 -0.044 0.000 1.003 263 V HN 0.913 nan 8.190 nan 0.000 0.425 264 R N 2.421 122.930 120.500 0.015 0.000 2.294 264 R HA 0.693 5.039 4.340 0.010 0.000 0.319 264 R C 0.537 176.800 176.300 -0.062 0.000 0.984 264 R CA 0.865 56.975 56.100 0.016 0.000 0.861 264 R CB 1.196 31.574 30.300 0.130 0.000 1.104 264 R HN 1.224 nan 8.270 nan 0.000 0.451 265 G N 2.993 111.672 108.800 -0.202 0.000 2.464 265 G HA2 -0.245 3.721 3.960 0.010 0.000 0.216 265 G HA3 -0.245 3.721 3.960 0.010 0.000 0.216 265 G C -1.340 173.188 174.900 -0.619 0.000 1.186 265 G CA -0.092 44.818 45.100 -0.316 0.000 1.010 265 G HN 0.621 nan 8.290 nan 0.000 0.585 266 D N 1.623 121.790 120.400 -0.389 0.000 2.359 266 D HA 0.594 5.239 4.640 0.010 0.000 0.230 266 D C -1.096 175.092 176.300 -0.187 0.000 1.118 266 D CA -2.059 51.717 54.000 -0.374 0.000 0.844 266 D CB 1.544 42.437 40.800 0.154 0.000 1.059 266 D HN -0.012 nan 8.370 nan 0.000 0.493 267 P HA -0.093 nan 4.420 nan 0.000 0.221 267 P C 0.892 178.193 177.300 0.000 0.000 1.145 267 P CA 0.902 63.956 63.100 -0.076 0.000 0.795 267 P CB 0.277 31.943 31.700 -0.056 0.000 0.775 268 A N -0.365 122.475 122.820 0.033 0.000 2.015 268 A HA -0.125 4.200 4.320 0.010 0.000 0.219 268 A C 1.508 179.140 177.584 0.079 0.000 1.163 268 A CA 1.345 53.437 52.037 0.091 0.000 0.646 268 A CB -0.815 18.269 19.000 0.140 0.000 0.806 268 A HN 0.166 nan 8.150 nan 0.000 0.448 269 N N -0.190 118.538 118.700 0.047 0.000 2.380 269 N HA 0.184 4.930 4.740 0.010 0.000 0.255 269 N C 0.916 176.416 175.510 -0.017 0.000 1.158 269 N CA 0.081 53.145 53.050 0.023 0.000 0.878 269 N CB 0.806 39.303 38.487 0.018 0.000 1.138 269 N HN 0.192 nan 8.380 nan 0.000 0.509 270 V N 0.748 120.657 119.914 -0.008 0.000 2.307 270 V HA -0.226 3.900 4.120 0.010 0.000 0.245 270 V C 2.460 178.547 176.094 -0.012 0.000 1.045 270 V CA 1.792 64.085 62.300 -0.011 0.000 1.024 270 V CB -0.245 31.581 31.823 0.006 0.000 0.651 270 V HN 0.386 nan 8.190 nan 0.000 0.449 271 E N -0.020 120.172 120.200 -0.014 0.000 2.031 271 E HA -0.273 4.083 4.350 0.010 0.000 0.193 271 E C 2.142 178.652 176.600 -0.151 0.000 0.994 271 E CA 1.904 58.263 56.400 -0.068 0.000 0.800 271 E CB -0.253 29.428 29.700 -0.031 0.000 0.752 271 E HN 0.450 nan 8.360 nan 0.000 0.447 272 I N 0.899 121.392 120.570 -0.129 0.000 2.286 272 I HA -0.230 3.946 4.170 0.010 0.000 0.248 272 I C 2.057 178.115 176.117 -0.098 0.000 1.115 272 I CA 1.679 62.889 61.300 -0.150 0.000 1.392 272 I CB -0.456 37.509 38.000 -0.058 0.000 1.065 272 I HN 0.141 nan 8.210 nan 0.000 0.418 273 T N 0.474 114.994 114.554 -0.057 0.000 2.746 273 T HA -0.170 4.186 4.350 0.010 0.000 0.267 273 T C 1.707 176.469 174.700 0.103 0.000 1.039 273 T CA 1.795 63.900 62.100 0.007 0.000 1.142 273 T CB -0.285 68.584 68.868 0.000 0.000 0.866 273 T HN 0.506 nan 8.240 nan 0.000 0.444 274 E N 0.752 120.984 120.200 0.052 0.000 2.150 274 E HA 0.008 4.364 4.350 0.010 0.000 0.193 274 E C 2.195 178.830 176.600 0.058 0.000 0.985 274 E CA 0.643 57.084 56.400 0.068 0.000 0.814 274 E CB -0.247 29.467 29.700 0.024 0.000 0.752 274 E HN 0.417 nan 8.360 nan 0.000 0.466 275 L N 0.385 121.603 121.223 -0.010 0.000 2.093 275 L HA -0.180 4.166 4.340 0.010 0.000 0.208 275 L C 2.505 179.460 176.870 0.142 0.000 1.085 275 L CA 0.639 55.502 54.840 0.038 0.000 0.755 275 L CB -0.292 41.695 42.059 -0.120 0.000 0.904 275 L HN 0.290 nan 8.230 nan 0.000 0.435 276 C N -0.125 119.213 119.300 0.064 0.000 2.440 276 C HA -0.124 4.342 4.460 0.010 0.000 0.278 276 C C 2.695 177.851 174.990 0.277 0.000 1.295 276 C CA 0.424 59.490 59.018 0.079 0.000 1.738 276 C CB -0.596 27.088 27.740 -0.093 0.000 1.987 276 C HN 0.426 nan 8.230 nan 0.000 0.492 277 I N 0.484 121.238 120.570 0.306 0.000 2.202 277 I HA -0.242 3.934 4.170 0.010 0.000 0.242 277 I C 2.573 178.768 176.117 0.130 0.000 1.091 277 I CA 1.485 62.934 61.300 0.249 0.000 1.368 277 I CB -0.702 37.414 38.000 0.193 0.000 1.058 277 I HN 0.430 nan 8.210 nan 0.000 0.410 278 Q N -0.118 119.744 119.800 0.103 0.000 2.364 278 Q HA -0.206 4.140 4.340 0.010 0.000 0.209 278 Q C 0.869 176.787 176.000 -0.137 0.000 0.977 278 Q CA 1.159 56.956 55.803 -0.010 0.000 0.885 278 Q CB -0.147 28.581 28.738 -0.017 0.000 0.941 278 Q HN 0.629 nan 8.270 nan 0.000 0.464 279 H N -1.580 117.482 119.070 -0.012 0.000 2.507 279 H HA 0.251 4.813 4.556 0.010 0.000 0.294 279 H C 0.733 176.041 175.328 -0.034 0.000 1.064 279 H CA 0.478 56.493 56.048 -0.056 0.000 1.138 279 H CB 0.773 30.458 29.762 -0.129 0.000 1.515 279 H HN 0.348 nan 8.280 nan 0.000 0.547 280 G N -0.179 108.659 108.800 0.063 0.000 2.157 280 G HA2 -0.269 3.697 3.960 0.010 0.000 0.239 280 G HA3 -0.269 3.697 3.960 0.010 0.000 0.239 280 G C -0.083 174.884 174.900 0.112 0.000 0.982 280 G CA -0.102 45.025 45.100 0.045 0.000 0.650 280 G HN 0.394 nan 8.290 nan 0.000 0.527 281 W N 2.393 123.677 121.300 -0.027 0.000 2.287 281 W HA 0.647 5.313 4.660 0.010 0.000 0.313 281 W C 0.282 176.796 176.519 -0.008 0.000 1.267 281 W CA 0.017 57.349 57.345 -0.022 0.000 1.201 281 W CB 0.841 30.297 29.460 -0.006 0.000 1.196 281 W HN 0.031 nan 8.180 nan 0.000 0.536 282 T N 9.868 124.080 114.554 -0.570 0.000 2.739 282 T HA 0.172 4.528 4.350 0.010 0.000 0.298 282 T C -2.020 171.916 174.700 -1.273 0.000 0.929 282 T CA -0.842 60.879 62.100 -0.631 0.000 1.014 282 T CB 0.312 68.954 68.868 -0.376 0.000 0.914 282 T HN 0.245 nan 8.240 nan 0.000 0.509 283 P HA 0.286 nan 4.420 nan 0.000 0.272 283 P C 0.375 177.260 177.300 -0.692 0.000 1.230 283 P CA -0.260 62.118 63.100 -1.203 0.000 0.788 283 P CB 0.945 32.367 31.700 -0.462 0.000 0.949 284 G N 0.710 109.262 108.800 -0.414 0.000 2.736 284 G HA2 0.338 4.304 3.960 0.010 0.000 0.229 284 G HA3 0.338 4.304 3.960 0.010 0.000 0.229 284 G C 0.028 174.638 174.900 -0.483 0.000 1.380 284 G CA -0.706 44.261 45.100 -0.221 0.000 1.040 284 G HN 0.770 nan 8.290 nan 0.000 0.568 285 N N -1.487 117.061 118.700 -0.254 0.000 2.361 285 N HA 0.241 4.986 4.740 0.010 0.000 0.253 285 N C 0.414 175.932 175.510 0.013 0.000 1.413 285 N CA -0.430 52.421 53.050 -0.331 0.000 0.821 285 N CB 0.812 39.143 38.487 -0.260 0.000 1.380 285 N HN 0.657 nan 8.380 nan 0.000 0.493 286 G N 0.468 109.394 108.800 0.209 0.000 2.531 286 G HA2 0.226 4.192 3.960 0.010 0.000 0.313 286 G HA3 0.226 4.192 3.960 0.010 0.000 0.313 286 G C 0.227 175.241 174.900 0.190 0.000 1.238 286 G CA -0.666 44.549 45.100 0.191 0.000 0.994 286 G HN 0.164 nan 8.290 nan 0.000 0.493 287 R N -1.345 119.168 120.500 0.022 0.000 2.254 287 R HA 0.195 4.541 4.340 0.010 0.000 0.195 287 R C -0.063 175.843 176.300 -0.655 0.000 0.957 287 R CA 0.380 56.316 56.100 -0.274 0.000 1.024 287 R CB 0.035 30.116 30.300 -0.366 0.000 0.952 287 R HN 0.403 nan 8.270 nan 0.000 0.484 288 F N 0.900 120.810 119.950 -0.067 0.000 2.623 288 F HA 0.286 4.819 4.527 0.010 0.000 0.361 288 F C -0.969 174.826 175.800 -0.008 0.000 1.469 288 F CA -1.067 56.674 58.000 -0.432 0.000 1.126 288 F CB 0.823 39.379 39.000 -0.740 0.000 1.221 288 F HN -0.261 nan 8.300 nan 0.000 0.536 289 D N 1.653 122.239 120.400 0.311 0.000 2.295 289 D HA 0.194 4.840 4.640 0.010 0.000 0.248 289 D C 0.187 176.731 176.300 0.406 0.000 1.154 289 D CA 0.055 54.288 54.000 0.389 0.000 0.857 289 D CB 2.415 43.498 40.800 0.471 0.000 1.117 289 D HN -0.053 nan 8.370 nan 0.000 0.468 290 V N 3.852 123.963 119.914 0.329 0.000 2.485 290 V HA 0.004 4.130 4.120 0.010 0.000 0.287 290 V C 1.010 177.092 176.094 -0.019 0.000 1.022 290 V CA -0.243 62.125 62.300 0.113 0.000 1.067 290 V CB 0.187 32.037 31.823 0.044 0.000 0.967 290 V HN 0.335 nan 8.190 nan 0.000 0.479 291 L N 8.325 129.440 121.223 -0.179 0.000 2.464 291 L HA 0.349 4.695 4.340 0.010 0.000 0.264 291 L C -1.650 174.972 176.870 -0.412 0.000 1.199 291 L CA -1.277 53.305 54.840 -0.431 0.000 0.818 291 L CB 0.804 42.636 42.059 -0.379 0.000 1.102 291 L HN 0.489 nan 8.230 nan 0.000 0.473 292 P HA 0.312 nan 4.420 nan 0.000 0.281 292 P C -1.255 175.885 177.300 -0.266 0.000 1.281 292 P CA -0.587 62.278 63.100 -0.392 0.000 0.811 292 P CB 1.151 32.521 31.700 -0.551 0.000 1.154 293 L N 0.425 121.579 121.223 -0.115 0.000 2.322 293 L HA 0.445 4.791 4.340 0.010 0.000 0.279 293 L C 0.341 177.175 176.870 -0.058 0.000 1.036 293 L CA -0.848 53.966 54.840 -0.044 0.000 0.807 293 L CB 0.891 42.995 42.059 0.074 0.000 1.226 293 L HN 0.190 nan 8.230 nan 0.000 0.433 294 L N 4.818 125.984 121.223 -0.095 0.000 2.283 294 L HA 0.459 4.804 4.340 0.010 0.000 0.281 294 L C -0.706 176.053 176.870 -0.186 0.000 1.033 294 L CA -0.226 54.458 54.840 -0.260 0.000 0.848 294 L CB 0.923 42.717 42.059 -0.441 0.000 1.226 294 L HN 0.437 nan 8.230 nan 0.000 0.429 295 L N 3.948 125.122 121.223 -0.082 0.000 2.307 295 L HA 0.494 4.840 4.340 0.010 0.000 0.284 295 L C -0.215 176.608 176.870 -0.078 0.000 1.023 295 L CA -0.341 54.488 54.840 -0.019 0.000 0.810 295 L CB 1.740 43.821 42.059 0.037 0.000 1.231 295 L HN 0.559 nan 8.230 nan 0.000 0.423 296 Q N 2.686 122.470 119.800 -0.026 0.000 2.325 296 Q HA 0.684 5.030 4.340 0.010 0.000 0.270 296 Q C -1.089 174.866 176.000 -0.075 0.000 1.020 296 Q CA -0.557 55.234 55.803 -0.021 0.000 0.785 296 Q CB 2.121 30.961 28.738 0.170 0.000 1.259 296 Q HN 0.785 nan 8.270 nan 0.000 0.452 297 A N 4.928 127.648 122.820 -0.166 0.000 2.264 297 A HA 0.677 5.003 4.320 0.010 0.000 0.304 297 A C -2.445 174.889 177.584 -0.417 0.000 1.100 297 A CA -1.729 50.048 52.037 -0.432 0.000 0.839 297 A CB 0.235 19.068 19.000 -0.279 0.000 1.121 297 A HN 0.640 nan 8.150 nan 0.000 0.496 298 P HA 0.017 nan 4.420 nan 0.000 0.261 298 P C -0.617 176.587 177.300 -0.160 0.000 1.173 298 P CA 0.918 63.815 63.100 -0.338 0.000 0.760 298 P CB 0.124 31.623 31.700 -0.336 0.000 0.783 299 D N 0.190 120.542 120.400 -0.080 0.000 2.955 299 D HA -0.199 4.447 4.640 0.010 0.000 0.226 299 D C -0.200 176.087 176.300 -0.022 0.000 1.178 299 D CA 1.319 55.301 54.000 -0.031 0.000 0.808 299 D CB -0.821 39.964 40.800 -0.025 0.000 1.099 299 D HN 0.578 nan 8.370 nan 0.000 0.421 300 E N -0.622 119.560 120.200 -0.031 0.000 2.312 300 E HA 0.664 5.020 4.350 0.010 0.000 0.267 300 E C -0.088 176.513 176.600 0.000 0.000 0.894 300 E CA -0.852 55.535 56.400 -0.021 0.000 0.773 300 E CB 1.761 31.435 29.700 -0.044 0.000 1.241 300 E HN 0.133 nan 8.360 nan 0.000 0.432 301 A N 2.852 125.674 122.820 0.003 0.000 2.425 301 A HA 0.287 4.613 4.320 0.010 0.000 0.242 301 A C -2.050 175.478 177.584 -0.093 0.000 1.077 301 A CA -0.913 51.128 52.037 0.006 0.000 0.781 301 A CB -0.421 18.592 19.000 0.021 0.000 1.020 301 A HN 0.346 nan 8.150 nan 0.000 0.494 302 P HA 0.187 nan 4.420 nan 0.000 0.271 302 P C -0.706 176.382 177.300 -0.354 0.000 1.216 302 P CA 0.133 62.942 63.100 -0.485 0.000 0.776 302 P CB 0.750 31.679 31.700 -1.285 0.000 0.881 303 E N 1.257 121.314 120.200 -0.238 0.000 2.204 303 E HA 0.381 4.737 4.350 0.010 0.000 0.276 303 E C -0.619 175.766 176.600 -0.359 0.000 0.974 303 E CA -1.049 55.196 56.400 -0.259 0.000 0.815 303 E CB 1.231 30.830 29.700 -0.168 0.000 1.119 303 E HN 0.306 nan 8.360 nan 0.000 0.393 304 L N 3.297 124.215 121.223 -0.509 0.000 2.292 304 L HA 0.412 4.758 4.340 0.010 0.000 0.284 304 L C -1.505 174.886 176.870 -0.798 0.000 1.065 304 L CA 0.251 54.815 54.840 -0.460 0.000 0.806 304 L CB 0.122 42.013 42.059 -0.280 0.000 1.175 304 L HN 0.409 nan 8.230 nan 0.000 0.431 305 F N 3.820 123.572 119.950 -0.330 0.000 2.561 305 F HA 0.495 5.029 4.527 0.011 0.000 0.313 305 F C -0.402 175.176 175.800 -0.371 0.000 1.126 305 F CA -0.876 56.801 58.000 -0.538 0.000 0.918 305 F CB 1.972 40.379 39.000 -0.988 0.000 1.199 305 F HN 0.003 nan 8.300 nan 0.000 0.444 306 V N 4.714 124.547 119.914 -0.135 0.000 2.370 306 V HA 0.301 4.427 4.120 0.010 0.000 0.279 306 V C 0.111 176.300 176.094 0.157 0.000 1.029 306 V CA -0.763 61.543 62.300 0.009 0.000 0.870 306 V CB 1.327 33.186 31.823 0.059 0.000 0.984 306 V HN 0.545 nan 8.190 nan 0.000 0.451 307 L N 7.608 128.948 121.223 0.195 0.000 2.455 307 L HA 0.234 4.580 4.340 0.010 0.000 0.272 307 L C -2.037 174.939 176.870 0.177 0.000 1.174 307 L CA -1.335 53.658 54.840 0.255 0.000 0.869 307 L CB 0.437 42.570 42.059 0.124 0.000 1.130 307 L HN 0.432 nan 8.230 nan 0.000 0.474 308 P HA 0.053 nan 4.420 nan 0.000 0.264 308 P C -2.027 175.322 177.300 0.082 0.000 1.193 308 P CA -0.904 62.270 63.100 0.122 0.000 0.763 308 P CB 0.377 32.139 31.700 0.103 0.000 0.810 309 P HA -0.221 nan 4.420 nan 0.000 0.216 309 P C 1.386 178.714 177.300 0.047 0.000 1.150 309 P CA 1.322 64.461 63.100 0.065 0.000 0.843 309 P CB -0.174 31.568 31.700 0.070 0.000 0.787 310 E N 0.069 120.295 120.200 0.042 0.000 2.265 310 E HA -0.148 4.208 4.350 0.010 0.000 0.196 310 E C 1.679 178.292 176.600 0.022 0.000 0.996 310 E CA 1.101 57.519 56.400 0.029 0.000 0.832 310 E CB -1.097 28.618 29.700 0.025 0.000 0.756 310 E HN 0.325 nan 8.360 nan 0.000 0.491 311 L N 0.887 122.124 121.223 0.022 0.000 2.375 311 L HA 0.091 4.436 4.340 0.010 0.000 0.215 311 L C 0.827 177.705 176.870 0.014 0.000 1.108 311 L CA 0.079 54.926 54.840 0.012 0.000 0.830 311 L CB 0.401 42.458 42.059 -0.003 0.000 0.959 311 L HN -0.104 nan 8.230 nan 0.000 0.457 312 V N 2.477 122.401 119.914 0.017 0.000 2.267 312 V HA 0.105 4.231 4.120 0.010 0.000 0.254 312 V C 0.160 176.275 176.094 0.035 0.000 1.144 312 V CA -0.484 61.823 62.300 0.012 0.000 0.992 312 V CB 0.695 32.514 31.823 -0.007 0.000 1.199 312 V HN 0.080 nan 8.190 nan 0.000 0.493 313 L N 5.202 126.452 121.223 0.045 0.000 2.462 313 L HA 0.332 4.678 4.340 0.010 0.000 0.272 313 L C 0.266 177.174 176.870 0.062 0.000 1.166 313 L CA 0.930 55.795 54.840 0.041 0.000 0.880 313 L CB 0.158 42.240 42.059 0.037 0.000 1.142 313 L HN 0.637 nan 8.230 nan 0.000 0.473 314 E N 3.293 123.508 120.200 0.025 0.000 2.336 314 E HA 0.621 4.977 4.350 0.010 0.000 0.267 314 E C -1.467 175.080 176.600 -0.089 0.000 0.906 314 E CA -1.057 55.356 56.400 0.021 0.000 0.781 314 E CB 2.422 32.160 29.700 0.062 0.000 1.261 314 E HN 0.357 nan 8.360 nan 0.000 0.436 315 V N 2.542 122.368 119.914 -0.146 0.000 2.443 315 V HA 0.305 4.431 4.120 0.010 0.000 0.293 315 V C -2.450 173.563 176.094 -0.134 0.000 1.021 315 V CA -1.986 60.164 62.300 -0.250 0.000 0.848 315 V CB 1.374 32.806 31.823 -0.651 0.000 0.998 315 V HN 0.523 nan 8.190 nan 0.000 0.424 316 P HA 0.284 nan 4.420 nan 0.000 0.271 316 P C -0.667 176.629 177.300 -0.007 0.000 1.216 316 P CA -0.097 62.966 63.100 -0.062 0.000 0.776 316 P CB 0.604 32.278 31.700 -0.043 0.000 0.881 317 L N 3.373 124.632 121.223 0.059 0.000 2.289 317 L HA 0.475 4.821 4.340 0.010 0.000 0.285 317 L C 0.928 177.953 176.870 0.257 0.000 1.049 317 L CA -0.220 54.722 54.840 0.169 0.000 0.804 317 L CB 0.700 42.927 42.059 0.279 0.000 1.195 317 L HN 0.490 nan 8.230 nan 0.000 0.428 318 E N 1.865 122.186 120.200 0.202 0.000 2.393 318 E HA 0.402 4.758 4.350 0.010 0.000 0.273 318 E C -1.367 175.281 176.600 0.080 0.000 0.918 318 E CA -0.938 55.596 56.400 0.223 0.000 0.773 318 E CB 2.278 32.080 29.700 0.170 0.000 1.275 318 E HN 0.475 nan 8.360 nan 0.000 0.451 319 H N 1.829 120.796 119.070 -0.172 0.000 2.463 319 H HA 0.237 4.799 4.556 0.010 0.000 0.332 319 H C -1.736 173.327 175.328 -0.440 0.000 1.127 319 H CA -2.263 53.529 56.048 -0.428 0.000 1.238 319 H CB 1.996 31.393 29.762 -0.608 0.000 1.478 319 H HN 0.443 nan 8.280 nan 0.000 0.499 320 P HA -0.126 nan 4.420 nan 0.000 0.218 320 P C 0.951 178.088 177.300 -0.272 0.000 1.149 320 P CA 1.838 64.439 63.100 -0.831 0.000 0.817 320 P CB 0.454 31.617 31.700 -0.896 0.000 0.785 321 T N -4.017 110.542 114.554 0.008 0.000 3.019 321 T HA 0.192 4.548 4.350 0.010 0.000 0.247 321 T C 1.002 175.662 174.700 -0.068 0.000 0.992 321 T CA -0.227 61.877 62.100 0.007 0.000 1.036 321 T CB -0.701 68.181 68.868 0.022 0.000 1.063 321 T HN -0.071 nan 8.240 nan 0.000 0.476 322 L N 2.927 124.031 121.223 -0.197 0.000 2.454 322 L HA 0.308 4.653 4.340 0.010 0.000 0.284 322 L C 1.274 177.780 176.870 -0.608 0.000 1.139 322 L CA -0.187 54.252 54.840 -0.669 0.000 0.911 322 L CB 0.241 41.501 42.059 -1.331 0.000 1.262 322 L HN 0.308 nan 8.230 nan 0.000 0.453 323 E N 3.297 123.299 120.200 -0.330 0.000 2.209 323 E HA -0.202 4.154 4.350 0.010 0.000 0.196 323 E C 1.524 178.081 176.600 -0.070 0.000 0.993 323 E CA 1.392 57.712 56.400 -0.133 0.000 0.819 323 E CB 0.033 29.729 29.700 -0.007 0.000 0.745 323 E HN 0.821 nan 8.360 nan 0.000 0.477 324 W N -0.284 121.068 121.300 0.086 0.000 2.678 324 W HA 0.025 4.691 4.660 0.010 0.000 0.256 324 W C 1.430 178.002 176.519 0.089 0.000 1.280 324 W CA -0.273 57.112 57.345 0.066 0.000 1.345 324 W CB -0.840 28.637 29.460 0.028 0.000 1.118 324 W HN -0.055 nan 8.180 nan 0.000 0.629 325 F N 2.978 122.716 119.950 -0.353 0.000 2.161 325 F HA -0.137 4.396 4.527 0.010 0.000 0.300 325 F C 2.672 178.503 175.800 0.052 0.000 1.089 325 F CA 2.916 60.826 58.000 -0.151 0.000 1.282 325 F CB -0.439 38.328 39.000 -0.389 0.000 1.010 325 F HN -0.081 nan 8.300 nan 0.000 0.485 326 A N -0.079 122.879 122.820 0.230 0.000 2.019 326 A HA -0.067 4.259 4.320 0.010 0.000 0.219 326 A C 2.280 179.928 177.584 0.107 0.000 1.164 326 A CA 1.420 53.560 52.037 0.172 0.000 0.644 326 A CB -1.327 17.750 19.000 0.127 0.000 0.805 326 A HN 0.428 nan 8.150 nan 0.000 0.449 327 A N -0.824 122.068 122.820 0.119 0.000 2.067 327 A HA 0.097 4.423 4.320 0.010 0.000 0.219 327 A C 1.749 179.371 177.584 0.064 0.000 1.158 327 A CA 1.185 53.282 52.037 0.099 0.000 0.661 327 A CB -0.382 18.698 19.000 0.133 0.000 0.801 327 A HN 0.367 nan 8.150 nan 0.000 0.452 328 L N -0.704 120.533 121.223 0.024 0.000 2.353 328 L HA 0.032 4.378 4.340 0.010 0.000 0.220 328 L C 1.886 178.766 176.870 0.017 0.000 1.133 328 L CA 1.226 56.049 54.840 -0.029 0.000 0.798 328 L CB -1.361 40.568 42.059 -0.217 0.000 0.922 328 L HN 0.661 nan 8.230 nan 0.000 0.445 329 G N -0.475 108.340 108.800 0.025 0.000 2.221 329 G HA2 -0.287 3.678 3.960 0.010 0.000 0.265 329 G HA3 -0.287 3.678 3.960 0.010 0.000 0.265 329 G C 0.318 175.219 174.900 0.001 0.000 1.041 329 G CA 0.340 45.461 45.100 0.035 0.000 0.807 329 G HN 0.316 nan 8.290 nan 0.000 0.502 330 L N -0.517 120.686 121.223 -0.032 0.000 2.421 330 L HA 0.842 5.188 4.340 0.010 0.000 0.263 330 L C 1.083 177.776 176.870 -0.294 0.000 1.122 330 L CA -0.753 54.014 54.840 -0.122 0.000 0.804 330 L CB 1.072 43.157 42.059 0.044 0.000 1.150 330 L HN 0.587 nan 8.230 nan 0.000 0.457 331 R N 0.913 121.048 120.500 -0.608 0.000 2.728 331 R HA 0.478 4.824 4.340 0.010 0.000 0.274 331 R C -2.168 174.042 176.300 -0.149 0.000 1.030 331 R CA -1.029 54.842 56.100 -0.381 0.000 0.876 331 R CB 1.678 31.689 30.300 -0.482 0.000 1.259 331 R HN 0.643 nan 8.270 nan 0.000 0.468 332 W N 1.499 122.736 121.300 -0.105 0.000 3.137 332 W HA 0.360 5.025 4.660 0.009 0.000 0.324 332 W C -1.276 175.320 176.519 0.128 0.000 1.253 332 W CA -0.966 56.410 57.345 0.052 0.000 1.183 332 W CB 2.014 31.431 29.460 -0.071 0.000 1.424 332 W HN 0.689 nan 8.180 nan 0.000 0.566 333 Y N 1.025 121.221 120.300 -0.174 0.000 2.301 333 Y HA 0.573 5.129 4.550 0.009 0.000 0.328 333 Y C 0.771 176.902 175.900 0.385 0.000 1.242 333 Y CA 0.020 58.130 58.100 0.015 0.000 1.323 333 Y CB 0.305 38.642 38.460 -0.205 0.000 1.266 333 Y HN 0.347 nan 8.280 nan 0.000 0.527 334 A N 2.266 125.365 122.820 0.464 0.000 1.970 334 A HA 0.062 4.388 4.320 0.010 0.000 0.216 334 A C 0.519 178.449 177.584 0.577 0.000 1.170 334 A CA 0.396 52.749 52.037 0.528 0.000 0.645 334 A CB -0.322 18.832 19.000 0.258 0.000 0.816 334 A HN 0.683 nan 8.150 nan 0.000 0.447 335 L N 1.979 123.493 121.223 0.485 0.000 2.262 335 L HA 0.409 4.754 4.340 0.010 0.000 0.288 335 L C -2.546 174.489 176.870 0.274 0.000 1.035 335 L CA -2.152 52.876 54.840 0.313 0.000 0.820 335 L CB 1.538 43.708 42.059 0.185 0.000 1.204 335 L HN -0.016 nan 8.230 nan 0.000 0.424 336 P HA 0.318 nan 4.420 nan 0.000 0.291 336 P C -1.419 175.795 177.300 -0.143 0.000 1.378 336 P CA -0.349 62.653 63.100 -0.163 0.000 0.853 336 P CB 1.329 32.496 31.700 -0.888 0.000 1.002 337 A N 4.696 127.432 122.820 -0.139 0.000 2.431 337 A HA 0.404 4.730 4.320 0.010 0.000 0.318 337 A C -0.031 177.319 177.584 -0.391 0.000 1.330 337 A CA -0.677 51.196 52.037 -0.273 0.000 0.804 337 A CB 0.628 19.475 19.000 -0.255 0.000 1.135 337 A HN 0.304 nan 8.150 nan 0.000 0.483 338 V N 2.821 122.332 119.914 -0.671 0.000 2.585 338 V HA 0.188 4.314 4.120 0.010 0.000 0.296 338 V C 1.289 176.976 176.094 -0.677 0.000 1.035 338 V CA 1.366 63.234 62.300 -0.720 0.000 1.084 338 V CB 1.013 32.169 31.823 -1.112 0.000 0.953 338 V HN 1.103 nan 8.190 nan 0.000 0.483 339 S N 1.585 117.094 115.700 -0.318 0.000 2.733 339 S HA 0.061 4.536 4.470 0.010 0.000 0.247 339 S C 0.750 175.333 174.600 -0.029 0.000 1.043 339 S CA 0.076 58.177 58.200 -0.165 0.000 1.066 339 S CB -0.382 62.757 63.200 -0.102 0.000 1.045 339 S HN 0.915 nan 8.310 nan 0.000 0.586 340 N N 0.466 119.158 118.700 -0.013 0.000 2.204 340 N HA 0.309 5.055 4.740 0.010 0.000 0.219 340 N C 0.102 175.669 175.510 0.095 0.000 1.151 340 N CA -0.519 52.564 53.050 0.054 0.000 0.867 340 N CB 0.125 38.647 38.487 0.059 0.000 1.043 340 N HN 0.267 nan 8.380 nan 0.000 0.516 341 M N 1.425 121.095 119.600 0.116 0.000 2.342 341 M HA 0.293 4.779 4.480 0.010 0.000 0.332 341 M C -0.558 175.884 176.300 0.237 0.000 1.166 341 M CA -0.787 54.631 55.300 0.197 0.000 1.086 341 M CB 2.381 35.138 32.600 0.262 0.000 1.541 341 M HN 0.147 nan 8.290 nan 0.000 0.462 342 L N 3.373 124.718 121.223 0.205 0.000 2.289 342 L HA 0.472 4.818 4.340 0.010 0.000 0.285 342 L C -1.234 175.744 176.870 0.180 0.000 1.049 342 L CA -0.887 54.057 54.840 0.175 0.000 0.804 342 L CB 0.975 43.089 42.059 0.092 0.000 1.195 342 L HN 0.577 nan 8.230 nan 0.000 0.428 343 L N 5.527 126.856 121.223 0.177 0.000 2.257 343 L HA 0.426 4.771 4.340 0.010 0.000 0.290 343 L C -0.412 176.477 176.870 0.033 0.000 1.044 343 L CA 0.321 55.162 54.840 0.001 0.000 0.810 343 L CB 0.991 43.049 42.059 -0.001 0.000 1.193 343 L HN 0.641 nan 8.230 nan 0.000 0.425 344 E N 6.654 126.792 120.200 -0.104 0.000 2.158 344 E HA 0.401 4.757 4.350 0.010 0.000 0.271 344 E C -1.574 174.937 176.600 -0.148 0.000 0.911 344 E CA -0.444 55.903 56.400 -0.088 0.000 0.767 344 E CB 1.139 30.787 29.700 -0.087 0.000 1.120 344 E HN 0.717 nan 8.360 nan 0.000 0.405 345 I N 2.671 123.152 120.570 -0.148 0.000 2.500 345 I HA 0.258 4.434 4.170 0.010 0.000 0.286 345 I C 0.718 176.625 176.117 -0.350 0.000 1.063 345 I CA -0.706 60.385 61.300 -0.347 0.000 1.062 345 I CB 1.979 39.705 38.000 -0.456 0.000 1.223 345 I HN 0.798 nan 8.210 nan 0.000 0.435 346 G N 4.236 112.892 108.800 -0.240 0.000 2.356 346 G HA2 -0.119 3.846 3.960 0.010 0.000 0.296 346 G HA3 -0.119 3.846 3.960 0.010 0.000 0.296 346 G C 1.047 176.023 174.900 0.127 0.000 1.022 346 G CA 0.821 45.972 45.100 0.085 0.000 0.961 346 G HN 1.534 nan 8.290 nan 0.000 0.510 347 G N -1.765 107.048 108.800 0.023 0.000 2.284 347 G HA2 -0.268 3.697 3.960 0.010 0.000 0.247 347 G HA3 -0.268 3.697 3.960 0.010 0.000 0.247 347 G C 0.643 175.486 174.900 -0.095 0.000 1.012 347 G CA 0.500 45.606 45.100 0.010 0.000 0.618 347 G HN 1.336 nan 8.290 nan 0.000 0.521 348 L N 1.025 122.130 121.223 -0.197 0.000 2.439 348 L HA 0.486 4.831 4.340 0.010 0.000 0.269 348 L C 0.409 177.034 176.870 -0.408 0.000 1.179 348 L CA 0.051 54.647 54.840 -0.406 0.000 0.828 348 L CB 0.693 42.395 42.059 -0.595 0.000 1.106 348 L HN 0.236 nan 8.230 nan 0.000 0.467 349 E N 2.696 122.593 120.200 -0.505 0.000 2.155 349 E HA 0.325 4.681 4.350 0.010 0.000 0.264 349 E C -1.433 174.871 176.600 -0.492 0.000 0.886 349 E CA -0.390 55.793 56.400 -0.361 0.000 0.752 349 E CB 1.434 31.020 29.700 -0.190 0.000 1.133 349 E HN 0.272 nan 8.360 nan 0.000 0.414 350 F N 2.176 122.087 119.950 -0.065 0.000 2.309 350 F HA 0.085 4.619 4.527 0.011 0.000 0.366 350 F C 1.620 177.448 175.800 0.045 0.000 1.104 350 F CA -0.446 57.541 58.000 -0.021 0.000 1.179 350 F CB 0.875 39.843 39.000 -0.052 0.000 1.437 350 F HN 0.421 nan 8.300 nan 0.000 0.528 351 S N 1.239 117.034 115.700 0.159 0.000 2.442 351 S HA 0.081 4.557 4.470 0.010 0.000 0.236 351 S C 0.911 175.638 174.600 0.212 0.000 1.007 351 S CA 0.456 58.749 58.200 0.154 0.000 0.965 351 S CB -0.021 63.248 63.200 0.116 0.000 0.773 351 S HN 0.470 nan 8.310 nan 0.000 0.504 352 A N 0.465 123.458 122.820 0.288 0.000 2.363 352 A HA 0.831 5.157 4.320 0.010 0.000 0.296 352 A C -0.124 177.709 177.584 0.414 0.000 1.237 352 A CA -0.192 52.053 52.037 0.347 0.000 0.773 352 A CB 0.905 20.115 19.000 0.349 0.000 1.153 352 A HN 1.007 nan 8.150 nan 0.000 0.473 353 A N 4.181 127.186 122.820 0.308 0.000 3.464 353 A HA 0.601 4.927 4.320 0.010 0.000 0.243 353 A C -2.942 174.772 177.584 0.216 0.000 1.100 353 A CA -0.871 51.292 52.037 0.210 0.000 0.957 353 A CB 0.293 19.413 19.000 0.201 0.000 1.340 353 A HN 0.533 nan 8.150 nan 0.000 0.645 354 P HA 0.371 nan 4.420 nan 0.000 0.266 354 P C -0.716 176.602 177.300 0.031 0.000 1.195 354 P CA 0.541 63.613 63.100 -0.046 0.000 0.768 354 P CB 0.244 31.880 31.700 -0.107 0.000 0.838 355 F N -0.292 119.605 119.950 -0.088 0.000 2.588 355 F HA 0.775 5.307 4.527 0.009 0.000 0.314 355 F C -0.776 174.939 175.800 -0.141 0.000 1.069 355 F CA -1.228 56.720 58.000 -0.087 0.000 0.931 355 F CB 1.619 40.459 39.000 -0.265 0.000 1.260 355 F HN 0.427 nan 8.300 nan 0.000 0.465 356 S N 0.290 116.097 115.700 0.178 0.000 2.556 356 S HA 0.943 5.419 4.470 0.010 0.000 0.271 356 S C -0.752 173.821 174.600 -0.045 0.000 1.135 356 S CA -0.177 58.053 58.200 0.051 0.000 0.858 356 S CB 1.469 64.753 63.200 0.140 0.000 1.114 356 S HN 1.514 nan 8.310 nan 0.000 0.468 357 G N -0.001 108.721 108.800 -0.129 0.000 3.418 357 G HA2 0.732 4.698 3.960 0.010 0.000 0.179 357 G HA3 0.732 4.698 3.960 0.010 0.000 0.179 357 G C -1.490 173.409 174.900 -0.001 0.000 1.212 357 G CA -0.209 44.739 45.100 -0.253 0.000 0.935 357 G HN 1.156 nan 8.290 nan 0.000 0.716 358 W N -1.547 119.756 121.300 0.006 0.000 3.062 358 W HA 0.819 5.484 4.660 0.008 0.000 0.336 358 W C -1.740 174.774 176.519 -0.007 0.000 1.224 358 W CA -2.126 55.237 57.345 0.030 0.000 1.159 358 W CB 0.416 29.939 29.460 0.104 0.000 1.454 358 W HN 0.387 nan 8.180 nan 0.000 0.569 359 Y N 2.463 122.963 120.300 0.334 0.000 2.326 359 Y HA 0.353 4.909 4.550 0.010 0.000 0.333 359 Y C 0.800 176.775 175.900 0.126 0.000 1.240 359 Y CA -0.799 57.378 58.100 0.129 0.000 1.365 359 Y CB 1.305 39.747 38.460 -0.031 0.000 1.289 359 Y HN 0.446 nan 8.280 nan 0.000 0.548 360 M N 2.006 121.765 119.600 0.265 0.000 2.180 360 M HA 0.217 4.703 4.480 0.010 0.000 0.350 360 M C 0.997 177.307 176.300 0.017 0.000 1.125 360 M CA -0.298 55.086 55.300 0.140 0.000 1.031 360 M CB 1.198 33.855 32.600 0.096 0.000 1.623 360 M HN 0.824 nan 8.290 nan 0.000 0.451 361 S N 1.463 117.127 115.700 -0.060 0.000 2.407 361 S HA -0.200 4.276 4.470 0.010 0.000 0.235 361 S C 1.461 175.932 174.600 -0.215 0.000 1.036 361 S CA 2.200 60.284 58.200 -0.193 0.000 1.013 361 S CB -1.348 61.771 63.200 -0.135 0.000 0.820 361 S HN 0.932 nan 8.310 nan 0.000 0.476 362 T N -0.530 113.931 114.554 -0.155 0.000 3.007 362 T HA 0.045 4.401 4.350 0.010 0.000 0.270 362 T C 1.529 176.083 174.700 -0.243 0.000 1.107 362 T CA 1.074 63.036 62.100 -0.229 0.000 1.118 362 T CB -0.503 68.192 68.868 -0.289 0.000 0.889 362 T HN 0.601 nan 8.240 nan 0.000 0.506 363 E N 0.759 120.833 120.200 -0.210 0.000 2.072 363 E HA -0.006 4.350 4.350 0.010 0.000 0.191 363 E C 2.001 178.332 176.600 -0.448 0.000 0.985 363 E CA 1.215 57.490 56.400 -0.207 0.000 0.801 363 E CB -0.199 29.515 29.700 0.025 0.000 0.750 363 E HN 0.591 nan 8.360 nan 0.000 0.452 364 I N 0.079 120.250 120.570 -0.665 0.000 2.270 364 I HA -0.058 4.118 4.170 0.010 0.000 0.239 364 I C 2.574 178.330 176.117 -0.601 0.000 1.080 364 I CA 0.925 61.651 61.300 -0.956 0.000 1.383 364 I CB -0.509 36.843 38.000 -1.081 0.000 1.097 364 I HN 0.109 nan 8.210 nan 0.000 0.420 365 G N 0.155 108.713 108.800 -0.404 0.000 2.422 365 G HA2 -0.161 3.805 3.960 0.010 0.000 0.218 365 G HA3 -0.161 3.805 3.960 0.010 0.000 0.218 365 G C 1.609 176.396 174.900 -0.189 0.000 1.140 365 G CA 1.459 46.416 45.100 -0.239 0.000 0.775 365 G HN 0.301 nan 8.290 nan 0.000 0.545 366 T N -0.127 114.294 114.554 -0.222 0.000 2.980 366 T HA 0.107 4.463 4.350 0.010 0.000 0.239 366 T C 2.522 177.115 174.700 -0.178 0.000 1.011 366 T CA 0.214 62.204 62.100 -0.183 0.000 1.171 366 T CB 0.101 68.844 68.868 -0.208 0.000 0.873 366 T HN 0.010 nan 8.240 nan 0.000 0.431 367 R N 2.066 122.440 120.500 -0.211 0.000 2.056 367 R HA 0.164 4.510 4.340 0.010 0.000 0.227 367 R C 2.174 178.360 176.300 -0.190 0.000 1.149 367 R CA 1.051 57.036 56.100 -0.191 0.000 0.937 367 R CB -1.212 28.979 30.300 -0.182 0.000 0.835 367 R HN 0.312 nan 8.270 nan 0.000 0.430 368 N N 1.004 119.542 118.700 -0.270 0.000 2.120 368 N HA -0.084 4.662 4.740 0.010 0.000 0.188 368 N C 1.955 177.403 175.510 -0.103 0.000 1.024 368 N CA 1.067 53.959 53.050 -0.263 0.000 0.852 368 N CB -0.198 37.806 38.487 -0.805 0.000 1.003 368 N HN 0.191 nan 8.380 nan 0.000 0.424 369 L N -0.803 120.310 121.223 -0.183 0.000 2.249 369 L HA 0.074 4.420 4.340 0.010 0.000 0.207 369 L C 1.391 178.295 176.870 0.056 0.000 1.090 369 L CA 0.462 55.292 54.840 -0.015 0.000 0.802 369 L CB 0.148 42.170 42.059 -0.061 0.000 0.947 369 L HN 0.159 nan 8.230 nan 0.000 0.453 370 C N -1.623 117.667 119.300 -0.016 0.000 3.065 370 C HA 0.176 4.642 4.460 0.010 0.000 0.285 370 C C 0.742 175.714 174.990 -0.030 0.000 1.257 370 C CA -0.952 58.065 59.018 -0.001 0.000 1.691 370 C CB -0.315 27.412 27.740 -0.021 0.000 2.089 370 C HN 0.298 nan 8.230 nan 0.000 0.630 371 D N 2.390 122.737 120.400 -0.088 0.000 2.449 371 D HA 0.064 4.709 4.640 0.010 0.000 0.236 371 D C -1.412 174.838 176.300 -0.083 0.000 1.149 371 D CA -1.021 52.892 54.000 -0.144 0.000 0.878 371 D CB 0.576 41.137 40.800 -0.399 0.000 1.198 371 D HN 0.117 nan 8.370 nan 0.000 0.446 372 P HA -0.132 nan 4.420 nan 0.000 0.217 372 P C 0.733 178.100 177.300 0.113 0.000 1.150 372 P CA 1.289 64.451 63.100 0.102 0.000 0.832 372 P CB -0.008 31.785 31.700 0.155 0.000 0.787 373 H N -2.584 116.493 119.070 0.012 0.000 2.524 373 H HA 0.336 4.898 4.556 0.010 0.000 0.280 373 H C 0.898 176.229 175.328 0.005 0.000 1.018 373 H CA 0.004 56.056 56.048 0.006 0.000 1.165 373 H CB -0.074 29.692 29.762 0.008 0.000 1.411 373 H HN -0.011 nan 8.280 nan 0.000 0.569 374 R N -0.197 120.194 120.500 -0.182 0.000 3.066 374 R HA 0.181 4.527 4.340 0.010 0.000 0.143 374 R C 1.116 177.366 176.300 -0.084 0.000 1.187 374 R CA -0.724 55.304 56.100 -0.121 0.000 0.722 374 R CB -0.834 29.411 30.300 -0.092 0.000 1.366 374 R HN 0.093 nan 8.270 nan 0.000 0.421 375 Y N 1.632 121.944 120.300 0.020 0.000 2.421 375 Y HA -0.035 4.520 4.550 0.010 0.000 0.292 375 Y C 0.729 176.650 175.900 0.036 0.000 1.136 375 Y CA 1.302 59.430 58.100 0.047 0.000 1.255 375 Y CB -0.296 38.232 38.460 0.113 0.000 0.991 375 Y HN 0.550 nan 8.280 nan 0.000 0.552 376 N N 0.950 119.731 118.700 0.134 0.000 2.686 376 N HA -0.224 4.522 4.740 0.010 0.000 0.261 376 N C 0.504 176.091 175.510 0.129 0.000 1.001 376 N CA 0.320 53.429 53.050 0.099 0.000 0.764 376 N CB -0.977 37.551 38.487 0.068 0.000 0.898 376 N HN 0.619 nan 8.380 nan 0.000 0.544 377 I N -2.940 117.721 120.570 0.153 0.000 3.793 377 I HA 0.019 4.195 4.170 0.010 0.000 0.315 377 I C 1.667 177.879 176.117 0.158 0.000 1.275 377 I CA -0.437 60.953 61.300 0.151 0.000 1.214 377 I CB -0.003 38.093 38.000 0.160 0.000 1.018 377 I HN 0.119 nan 8.210 nan 0.000 0.439 378 L N 1.857 123.181 121.223 0.168 0.000 1.971 378 L HA -0.248 4.097 4.340 0.010 0.000 0.215 378 L C 2.626 179.695 176.870 0.333 0.000 1.072 378 L CA 2.237 57.210 54.840 0.223 0.000 0.758 378 L CB -0.984 41.177 42.059 0.170 0.000 0.889 378 L HN 0.503 nan 8.230 nan 0.000 0.433 379 E N -1.007 119.392 120.200 0.331 0.000 2.051 379 E HA -0.241 4.115 4.350 0.010 0.000 0.192 379 E C 1.764 178.404 176.600 0.066 0.000 0.991 379 E CA 1.434 57.960 56.400 0.211 0.000 0.799 379 E CB 0.010 29.777 29.700 0.112 0.000 0.748 379 E HN 0.514 nan 8.360 nan 0.000 0.449 380 D N 0.111 120.550 120.400 0.065 0.000 2.104 380 D HA -0.165 4.481 4.640 0.010 0.000 0.194 380 D C 2.095 178.395 176.300 -0.001 0.000 0.994 380 D CA 1.231 55.237 54.000 0.010 0.000 0.830 380 D CB -0.315 40.499 40.800 0.023 0.000 0.959 380 D HN 0.140 nan 8.370 nan 0.000 0.452 381 V N 1.466 121.433 119.914 0.088 0.000 2.427 381 V HA -0.199 3.927 4.120 0.010 0.000 0.248 381 V C 2.541 178.716 176.094 0.135 0.000 1.051 381 V CA 1.666 64.061 62.300 0.159 0.000 1.048 381 V CB -0.728 31.278 31.823 0.305 0.000 0.666 381 V HN 0.181 nan 8.190 nan 0.000 0.456 382 A N -0.401 122.512 122.820 0.155 0.000 1.902 382 A HA -0.049 4.276 4.320 0.010 0.000 0.217 382 A C 1.548 179.111 177.584 -0.034 0.000 1.181 382 A CA 1.106 53.227 52.037 0.141 0.000 0.623 382 A CB -0.485 18.686 19.000 0.285 0.000 0.818 382 A HN 0.310 nan 8.150 nan 0.000 0.443 386 D N 2.231 122.570 120.400 -0.101 0.000 2.746 386 D HA -0.134 4.512 4.640 0.010 0.000 0.236 386 D C -1.078 175.193 176.300 -0.048 0.000 1.129 386 D CA 0.678 54.625 54.000 -0.088 0.000 0.691 386 D CB -0.612 40.144 40.800 -0.072 0.000 1.077 386 D HN 0.429 nan 8.370 nan 0.000 0.432 387 L N -0.271 120.927 121.223 -0.041 0.000 2.416 387 L HA 0.419 4.764 4.340 0.010 0.000 0.262 387 L C 0.923 177.733 176.870 -0.100 0.000 1.093 387 L CA -0.902 53.933 54.840 -0.007 0.000 0.801 387 L CB 0.678 42.797 42.059 0.099 0.000 1.191 387 L HN -0.007 nan 8.230 nan 0.000 0.459 388 D N 0.526 120.886 120.400 -0.065 0.000 2.435 388 D HA 0.010 4.656 4.640 0.010 0.000 0.230 388 D C 1.026 177.124 176.300 -0.337 0.000 1.215 388 D CA -0.169 53.752 54.000 -0.132 0.000 0.947 388 D CB 0.681 41.463 40.800 -0.029 0.000 1.048 388 D HN 0.597 nan 8.370 nan 0.000 0.512 389 T N 0.562 114.722 114.554 -0.656 0.000 3.252 389 T HA 0.068 4.424 4.350 0.010 0.000 0.250 389 T C 1.340 175.661 174.700 -0.631 0.000 1.123 389 T CA 0.110 61.381 62.100 -1.382 0.000 1.006 389 T CB -0.049 67.964 68.868 -1.426 0.000 0.992 389 T HN 0.262 nan 8.240 nan 0.000 0.547 390 R N 0.202 120.539 120.500 -0.272 0.000 2.280 390 R HA 0.237 4.583 4.340 0.010 0.000 0.195 390 R C 0.695 177.017 176.300 0.037 0.000 0.935 390 R CA 0.251 56.298 56.100 -0.088 0.000 1.033 390 R CB 0.431 30.686 30.300 -0.076 0.000 0.964 390 R HN 0.324 nan 8.270 nan 0.000 0.489 391 T N -0.711 113.908 114.554 0.108 0.000 2.916 391 T HA 0.116 4.472 4.350 0.010 0.000 0.298 391 T C 1.121 175.999 174.700 0.297 0.000 1.031 391 T CA -0.598 61.602 62.100 0.166 0.000 0.993 391 T CB 1.756 70.684 68.868 0.100 0.000 1.045 391 T HN 0.200 nan 8.240 nan 0.000 0.454 392 T N 1.153 115.836 114.554 0.215 0.000 2.777 392 T HA -0.111 4.245 4.350 0.010 0.000 0.266 392 T C 2.141 176.897 174.700 0.094 0.000 1.040 392 T CA 1.706 63.891 62.100 0.142 0.000 1.141 392 T CB -0.800 68.103 68.868 0.059 0.000 0.868 392 T HN 0.707 nan 8.240 nan 0.000 0.444 393 S N 2.341 118.094 115.700 0.089 0.000 2.528 393 S HA -0.110 4.365 4.470 0.010 0.000 0.244 393 S C 2.120 176.769 174.600 0.082 0.000 0.982 393 S CA 1.004 59.243 58.200 0.064 0.000 0.953 393 S CB -0.982 62.249 63.200 0.052 0.000 0.754 393 S HN 0.803 nan 8.310 nan 0.000 0.529 394 S N 1.643 117.429 115.700 0.143 0.000 2.527 394 S HA 0.223 4.699 4.470 0.010 0.000 0.222 394 S C 0.969 175.656 174.600 0.145 0.000 0.985 394 S CA 0.222 58.516 58.200 0.156 0.000 0.921 394 S CB -0.931 62.397 63.200 0.214 0.000 0.772 394 S HN 0.612 nan 8.310 nan 0.000 0.529 395 L N 0.839 122.115 121.223 0.089 0.000 3.717 395 L HA -0.170 4.175 4.340 0.010 0.000 0.414 395 L C 1.606 178.491 176.870 0.026 0.000 1.228 395 L CA 0.708 55.542 54.840 -0.011 0.000 0.918 395 L CB -2.533 39.528 42.059 0.004 0.000 1.865 395 L HN 0.741 nan 8.230 nan 0.000 0.922 396 W N -0.034 121.278 121.300 0.020 0.000 2.374 396 W HA -0.139 4.527 4.660 0.010 0.000 0.288 396 W C 1.712 178.249 176.519 0.030 0.000 1.218 396 W CA 1.243 58.603 57.345 0.025 0.000 1.245 396 W CB -0.687 28.784 29.460 0.019 0.000 1.126 396 W HN 0.291 nan 8.180 nan 0.000 0.545 397 K N 1.062 121.095 120.400 -0.611 0.000 2.057 397 K HA -0.143 4.183 4.320 0.010 0.000 0.206 397 K C 1.534 178.014 176.600 -0.199 0.000 1.050 397 K CA 2.233 58.184 56.287 -0.560 0.000 0.935 397 K CB -0.332 31.668 32.500 -0.835 0.000 0.715 397 K HN 0.022 nan 8.250 nan 0.000 0.439 398 D N 0.752 121.052 120.400 -0.167 0.000 2.117 398 D HA -0.129 4.517 4.640 0.010 0.000 0.197 398 D C 1.652 177.949 176.300 -0.005 0.000 0.987 398 D CA 1.223 55.176 54.000 -0.078 0.000 0.829 398 D CB 0.043 40.803 40.800 -0.066 0.000 0.961 398 D HN 0.118 nan 8.370 nan 0.000 0.460 399 K N 0.487 120.910 120.400 0.039 0.000 2.025 399 K HA -0.007 4.319 4.320 0.010 0.000 0.207 399 K C 2.229 178.897 176.600 0.115 0.000 1.049 399 K CA 1.118 57.456 56.287 0.085 0.000 0.933 399 K CB -0.162 32.409 32.500 0.119 0.000 0.714 399 K HN 0.085 nan 8.250 nan 0.000 0.438 400 A N 1.639 124.549 122.820 0.149 0.000 1.877 400 A HA -0.138 4.188 4.320 0.010 0.000 0.216 400 A C 2.401 180.071 177.584 0.143 0.000 1.186 400 A CA 1.897 54.049 52.037 0.192 0.000 0.620 400 A CB -0.796 18.353 19.000 0.249 0.000 0.822 400 A HN 0.338 nan 8.150 nan 0.000 0.443 401 A N -0.466 122.397 122.820 0.072 0.000 1.883 401 A HA -0.072 4.254 4.320 0.010 0.000 0.217 401 A C 2.255 179.853 177.584 0.024 0.000 1.186 401 A CA 2.018 54.071 52.037 0.026 0.000 0.624 401 A CB -1.095 17.883 19.000 -0.037 0.000 0.822 401 A HN 0.433 nan 8.150 nan 0.000 0.444 402 V N 0.331 120.266 119.914 0.034 0.000 2.255 402 V HA -0.245 3.881 4.120 0.010 0.000 0.247 402 V C 2.590 178.717 176.094 0.055 0.000 1.051 402 V CA 2.240 64.564 62.300 0.041 0.000 1.018 402 V CB -0.798 31.058 31.823 0.054 0.000 0.641 402 V HN 0.533 nan 8.190 nan 0.000 0.445 403 E N -0.096 120.162 120.200 0.098 0.000 2.110 403 E HA -0.152 4.204 4.350 0.010 0.000 0.193 403 E C 2.110 178.738 176.600 0.047 0.000 0.988 403 E CA 1.271 57.755 56.400 0.140 0.000 0.804 403 E CB -0.355 29.435 29.700 0.150 0.000 0.745 403 E HN 0.604 nan 8.360 nan 0.000 0.458 404 I N 1.441 122.061 120.570 0.083 0.000 2.252 404 I HA -0.243 3.933 4.170 0.010 0.000 0.245 404 I C 2.162 178.252 176.117 -0.044 0.000 1.102 404 I CA 0.800 62.142 61.300 0.071 0.000 1.385 404 I CB -0.293 37.821 38.000 0.189 0.000 1.064 404 I HN 0.072 nan 8.210 nan 0.000 0.414 405 N N 0.730 119.405 118.700 -0.041 0.000 2.188 405 N HA -0.164 4.582 4.740 0.010 0.000 0.184 405 N C 1.916 177.379 175.510 -0.078 0.000 1.018 405 N CA 1.172 54.180 53.050 -0.071 0.000 0.858 405 N CB -0.121 38.335 38.487 -0.052 0.000 0.989 405 N HN 0.206 nan 8.380 nan 0.000 0.426 406 L N 1.502 122.672 121.223 -0.088 0.000 2.093 406 L HA -0.019 4.327 4.340 0.010 0.000 0.208 406 L C 2.218 178.948 176.870 -0.233 0.000 1.085 406 L CA 1.337 56.089 54.840 -0.148 0.000 0.755 406 L CB -0.723 41.221 42.059 -0.191 0.000 0.904 406 L HN 0.041 nan 8.230 nan 0.000 0.435 407 A N -1.120 121.508 122.820 -0.319 0.000 1.902 407 A HA -0.150 4.176 4.320 0.010 0.000 0.217 407 A C 2.264 179.777 177.584 -0.119 0.000 1.181 407 A CA 2.010 53.817 52.037 -0.384 0.000 0.623 407 A CB -1.089 17.412 19.000 -0.832 0.000 0.818 407 A HN 0.295 nan 8.150 nan 0.000 0.443 408 V N 0.050 119.915 119.914 -0.082 0.000 2.261 408 V HA -0.269 3.857 4.120 0.010 0.000 0.246 408 V C 2.593 178.705 176.094 0.029 0.000 1.047 408 V CA 2.035 64.332 62.300 -0.005 0.000 1.015 408 V CB -0.795 30.939 31.823 -0.149 0.000 0.642 408 V HN 0.574 nan 8.190 nan 0.000 0.446 409 L N -0.518 120.680 121.223 -0.041 0.000 1.989 409 L HA -0.252 4.094 4.340 0.010 0.000 0.211 409 L C 2.636 179.541 176.870 0.058 0.000 1.071 409 L CA 2.317 57.151 54.840 -0.011 0.000 0.749 409 L CB -0.856 41.189 42.059 -0.023 0.000 0.890 409 L HN 0.491 nan 8.230 nan 0.000 0.431 410 H N -0.312 118.717 119.070 -0.070 0.000 2.319 410 H HA -0.155 4.407 4.556 0.010 0.000 0.299 410 H C 2.330 177.647 175.328 -0.018 0.000 1.092 410 H CA 2.048 58.048 56.048 -0.080 0.000 1.302 410 H CB -0.036 29.613 29.762 -0.188 0.000 1.373 410 H HN 0.163 nan 8.280 nan 0.000 0.497 411 S N -0.514 115.123 115.700 -0.104 0.000 2.368 411 S HA -0.110 4.366 4.470 0.010 0.000 0.225 411 S C 1.999 176.550 174.600 -0.082 0.000 1.030 411 S CA 1.227 59.344 58.200 -0.138 0.000 0.999 411 S CB -0.477 62.738 63.200 0.026 0.000 0.844 411 S HN 0.382 nan 8.310 nan 0.000 0.459 412 F N 1.961 121.845 119.950 -0.110 0.000 2.146 412 F HA -0.121 4.411 4.527 0.009 0.000 0.298 412 F C 2.778 178.523 175.800 -0.092 0.000 1.096 412 F CA 1.104 59.065 58.000 -0.066 0.000 1.275 412 F CB -0.309 38.676 39.000 -0.024 0.000 1.008 412 F HN 0.198 nan 8.300 nan 0.000 0.480 413 Q N 0.080 119.917 119.800 0.061 0.000 2.084 413 Q HA -0.218 4.128 4.340 0.010 0.000 0.202 413 Q C 2.368 178.310 176.000 -0.095 0.000 0.978 413 Q CA 1.425 57.215 55.803 -0.021 0.000 0.844 413 Q CB -0.385 28.335 28.738 -0.030 0.000 0.898 413 Q HN 0.473 nan 8.270 nan 0.000 0.426 414 L N 0.097 121.203 121.223 -0.195 0.000 2.012 414 L HA -0.181 4.165 4.340 0.010 0.000 0.210 414 L C 2.062 178.845 176.870 -0.145 0.000 1.073 414 L CA 1.159 55.872 54.840 -0.212 0.000 0.748 414 L CB -0.330 41.526 42.059 -0.338 0.000 0.891 414 L HN 0.213 nan 8.230 nan 0.000 0.431 415 A N -1.353 121.373 122.820 -0.157 0.000 2.235 415 A HA -0.064 4.262 4.320 0.010 0.000 0.208 415 A C 0.648 178.167 177.584 -0.109 0.000 1.172 415 A CA 0.065 52.015 52.037 -0.145 0.000 0.786 415 A CB -0.105 18.766 19.000 -0.215 0.000 0.804 415 A HN 0.390 nan 8.150 nan 0.000 0.479 416 K N -1.112 119.239 120.400 -0.083 0.000 3.148 416 K HA -0.132 4.193 4.320 0.010 0.000 0.267 416 K C -0.610 175.965 176.600 -0.041 0.000 0.996 416 K CA 0.789 57.043 56.287 -0.055 0.000 0.737 416 K CB -2.758 29.710 32.500 -0.054 0.000 1.308 416 K HN 0.303 nan 8.250 nan 0.000 0.470 417 V N 0.982 120.886 119.914 -0.017 0.000 2.448 417 V HA 0.202 4.328 4.120 0.010 0.000 0.295 417 V C 0.785 176.976 176.094 0.160 0.000 1.025 417 V CA -0.785 61.541 62.300 0.043 0.000 0.859 417 V CB 2.049 33.839 31.823 -0.055 0.000 0.988 417 V HN 0.316 nan 8.190 nan 0.000 0.431 418 T N 6.439 121.041 114.554 0.079 0.000 2.905 418 T HA 0.390 4.746 4.350 0.010 0.000 0.299 418 T C -0.233 174.517 174.700 0.083 0.000 1.024 418 T CA 0.925 62.995 62.100 -0.050 0.000 1.151 418 T CB 0.049 68.751 68.868 -0.277 0.000 0.987 418 T HN 0.595 nan 8.240 nan 0.000 0.535 419 I N 2.211 122.760 120.570 -0.035 0.000 2.882 419 I HA 0.588 4.764 4.170 0.010 0.000 0.298 419 I C -1.724 174.394 176.117 0.003 0.000 1.462 419 I CA -0.947 60.370 61.300 0.029 0.000 1.000 419 I CB 1.871 39.817 38.000 -0.091 0.000 1.340 419 I HN 0.449 nan 8.210 nan 0.000 0.462 420 V N 5.183 125.162 119.914 0.108 0.000 2.577 420 V HA 0.471 4.596 4.120 0.010 0.000 0.303 420 V C -1.085 175.054 176.094 0.075 0.000 1.042 420 V CA -0.263 62.104 62.300 0.112 0.000 0.872 420 V CB 2.102 34.077 31.823 0.253 0.000 0.998 420 V HN 0.874 nan 8.190 nan 0.000 0.423 421 D N 4.273 124.692 120.400 0.032 0.000 2.360 421 D HA 0.141 4.787 4.640 0.010 0.000 0.242 421 D C 1.328 177.611 176.300 -0.028 0.000 1.184 421 D CA 0.248 54.248 54.000 0.001 0.000 0.930 421 D CB 0.438 41.208 40.800 -0.051 0.000 1.161 421 D HN 0.738 nan 8.370 nan 0.000 0.447 422 H N -0.024 118.967 119.070 -0.132 0.000 2.456 422 H HA -0.151 4.411 4.556 0.010 0.000 0.296 422 H C 0.985 176.197 175.328 -0.193 0.000 1.079 422 H CA 1.360 57.292 56.048 -0.193 0.000 1.322 422 H CB -0.579 29.010 29.762 -0.288 0.000 1.388 422 H HN 0.528 nan 8.280 nan 0.000 0.538 423 H N 1.185 120.060 119.070 -0.325 0.000 2.307 423 H HA 0.141 4.702 4.556 0.009 0.000 0.303 423 H C 2.569 177.874 175.328 -0.038 0.000 1.073 423 H CA 1.283 57.235 56.048 -0.161 0.000 1.338 423 H CB -0.367 29.266 29.762 -0.215 0.000 1.389 423 H HN 0.490 nan 8.280 nan 0.000 0.503 424 A N 1.606 124.477 122.820 0.085 0.000 1.883 424 A HA -0.138 4.188 4.320 0.010 0.000 0.217 424 A C 2.721 180.373 177.584 0.113 0.000 1.186 424 A CA 2.024 54.114 52.037 0.088 0.000 0.624 424 A CB -0.966 18.076 19.000 0.070 0.000 0.822 424 A HN 0.441 nan 8.150 nan 0.000 0.444 425 A N -0.235 122.651 122.820 0.110 0.000 1.865 425 A HA -0.166 4.160 4.320 0.010 0.000 0.217 425 A C 2.488 180.167 177.584 0.159 0.000 1.191 425 A CA 2.942 55.064 52.037 0.141 0.000 0.623 425 A CB -1.585 17.486 19.000 0.117 0.000 0.826 425 A HN 0.833 nan 8.150 nan 0.000 0.444 426 T N -2.673 111.958 114.554 0.127 0.000 2.821 426 T HA -0.091 4.265 4.350 0.010 0.000 0.267 426 T C 1.696 176.524 174.700 0.212 0.000 1.046 426 T CA 1.427 63.627 62.100 0.165 0.000 1.139 426 T CB -0.784 68.149 68.868 0.109 0.000 0.871 426 T HN 0.059 nan 8.240 nan 0.000 0.454 427 V N 2.796 122.810 119.914 0.166 0.000 2.295 427 V HA -0.179 3.947 4.120 0.010 0.000 0.246 427 V C 3.227 179.414 176.094 0.154 0.000 1.049 427 V CA 2.184 64.573 62.300 0.148 0.000 1.024 427 V CB -0.966 30.925 31.823 0.114 0.000 0.648 427 V HN 0.812 nan 8.190 nan 0.000 0.447 428 S N -0.310 115.489 115.700 0.165 0.000 2.399 428 S HA -0.228 4.248 4.470 0.010 0.000 0.231 428 S C 1.947 176.673 174.600 0.210 0.000 1.022 428 S CA 1.609 59.908 58.200 0.166 0.000 0.983 428 S CB -0.732 62.570 63.200 0.170 0.000 0.803 428 S HN 0.527 nan 8.310 nan 0.000 0.480 429 F N 1.914 121.929 119.950 0.107 0.000 2.325 429 F HA 0.177 4.709 4.527 0.009 0.000 0.299 429 F C 2.168 178.057 175.800 0.149 0.000 1.090 429 F CA 0.919 58.997 58.000 0.130 0.000 1.392 429 F CB -0.289 38.766 39.000 0.092 0.000 1.053 429 F HN 0.108 nan 8.300 nan 0.000 0.521 430 M N 0.028 119.703 119.600 0.125 0.000 2.175 430 M HA -0.142 4.344 4.480 0.010 0.000 0.264 430 M C 2.179 178.457 176.300 -0.038 0.000 1.063 430 M CA 1.356 56.675 55.300 0.031 0.000 1.119 430 M CB -1.121 31.543 32.600 0.108 0.000 1.377 430 M HN 0.062 nan 8.290 nan 0.000 0.415 431 K N -0.218 120.190 120.400 0.014 0.000 2.057 431 K HA -0.194 4.132 4.320 0.010 0.000 0.206 431 K C 1.983 178.565 176.600 -0.030 0.000 1.050 431 K CA 1.741 58.032 56.287 0.008 0.000 0.935 431 K CB -0.645 31.884 32.500 0.049 0.000 0.715 431 K HN 0.365 nan 8.250 nan 0.000 0.439 432 H N 0.126 119.111 119.070 -0.141 0.000 2.352 432 H HA -0.019 4.543 4.556 0.009 0.000 0.299 432 H C 1.720 176.882 175.328 -0.277 0.000 1.097 432 H CA 2.232 58.168 56.048 -0.187 0.000 1.311 432 H CB -0.225 29.400 29.762 -0.229 0.000 1.377 432 H HN 0.172 nan 8.280 nan 0.000 0.504 433 L N -0.181 120.740 121.223 -0.502 0.000 2.079 433 L HA -0.181 4.165 4.340 0.010 0.000 0.210 433 L C 2.284 178.988 176.870 -0.276 0.000 1.081 433 L CA 1.825 56.394 54.840 -0.452 0.000 0.752 433 L CB -0.464 41.390 42.059 -0.342 0.000 0.896 433 L HN 0.415 nan 8.230 nan 0.000 0.433 434 D N -0.140 120.147 120.400 -0.189 0.000 2.097 434 D HA -0.175 4.471 4.640 0.010 0.000 0.197 434 D C 1.901 178.128 176.300 -0.122 0.000 0.984 434 D CA 1.176 55.106 54.000 -0.117 0.000 0.826 434 D CB 0.080 40.840 40.800 -0.067 0.000 0.973 434 D HN 0.146 nan 8.370 nan 0.000 0.460 435 N N 0.602 119.220 118.700 -0.138 0.000 2.084 435 N HA -0.131 4.615 4.740 0.010 0.000 0.190 435 N C 1.612 177.037 175.510 -0.142 0.000 1.030 435 N CA 0.891 53.879 53.050 -0.102 0.000 0.849 435 N CB -0.332 38.123 38.487 -0.053 0.000 1.012 435 N HN 0.340 nan 8.380 nan 0.000 0.423 436 E N 0.680 120.714 120.200 -0.277 0.000 2.204 436 E HA -0.161 4.195 4.350 0.010 0.000 0.194 436 E C 1.855 178.352 176.600 -0.170 0.000 0.989 436 E CA 0.558 56.794 56.400 -0.274 0.000 0.824 436 E CB -0.063 29.359 29.700 -0.465 0.000 0.756 436 E HN 0.339 nan 8.360 nan 0.000 0.477 437 Q N 1.500 121.210 119.800 -0.150 0.000 2.050 437 Q HA -0.119 4.227 4.340 0.010 0.000 0.202 437 Q C 1.797 177.751 176.000 -0.078 0.000 0.980 437 Q CA 1.686 57.430 55.803 -0.097 0.000 0.840 437 Q CB 0.034 28.724 28.738 -0.080 0.000 0.898 437 Q HN 0.134 nan 8.270 nan 0.000 0.424 438 K N -0.693 119.663 120.400 -0.072 0.000 2.057 438 K HA -0.003 4.322 4.320 0.010 0.000 0.206 438 K C 2.042 178.613 176.600 -0.049 0.000 1.050 438 K CA 1.083 57.339 56.287 -0.053 0.000 0.935 438 K CB -0.201 32.274 32.500 -0.042 0.000 0.715 438 K HN 0.238 nan 8.250 nan 0.000 0.439 439 A N 1.330 124.119 122.820 -0.051 0.000 1.897 439 A HA -0.069 4.257 4.320 0.010 0.000 0.215 439 A C 1.816 179.373 177.584 -0.045 0.000 1.181 439 A CA 1.131 53.148 52.037 -0.034 0.000 0.620 439 A CB -0.026 18.968 19.000 -0.010 0.000 0.821 439 A HN 0.165 nan 8.150 nan 0.000 0.443 440 R N -2.553 117.906 120.500 -0.067 0.000 2.531 440 R HA 0.260 4.606 4.340 0.010 0.000 0.316 440 R C 0.899 177.158 176.300 -0.068 0.000 0.955 440 R CA 0.546 56.608 56.100 -0.063 0.000 1.120 440 R CB 0.663 30.921 30.300 -0.070 0.000 1.361 440 R HN 0.688 nan 8.270 nan 0.000 0.534 441 G N 0.944 109.697 108.800 -0.078 0.000 2.136 441 G HA2 -0.198 3.767 3.960 0.010 0.000 0.242 441 G HA3 -0.198 3.767 3.960 0.010 0.000 0.242 441 G C 0.220 175.078 174.900 -0.069 0.000 0.989 441 G CA 0.081 45.125 45.100 -0.093 0.000 0.682 441 G HN 0.727 nan 8.290 nan 0.000 0.522 442 G N -2.423 106.353 108.800 -0.041 0.000 2.320 442 G HA2 0.551 4.517 3.960 0.010 0.000 0.297 442 G HA3 0.551 4.517 3.960 0.010 0.000 0.297 442 G C -0.928 173.983 174.900 0.019 0.000 1.344 442 G CA 0.359 45.471 45.100 0.020 0.000 0.851 442 G HN 1.892 nan 8.290 nan 0.000 0.567 443 C N 1.920 121.260 119.300 0.067 0.000 2.817 443 C HA 0.722 5.188 4.460 0.010 0.000 0.385 443 C C -2.583 172.375 174.990 -0.053 0.000 1.050 443 C CA -1.177 57.830 59.018 -0.019 0.000 1.245 443 C CB 1.385 29.054 27.740 -0.119 0.000 1.706 443 C HN 0.687 nan 8.230 nan 0.000 0.488 444 P HA 0.416 nan 4.420 nan 0.000 0.271 444 P C -0.704 176.475 177.300 -0.202 0.000 1.226 444 P CA 0.511 63.199 63.100 -0.685 0.000 0.765 444 P CB 1.124 32.154 31.700 -1.117 0.000 0.835 445 A N 2.767 125.544 122.820 -0.072 0.000 2.455 445 A HA 0.407 4.733 4.320 0.010 0.000 0.300 445 A C -0.966 176.665 177.584 0.079 0.000 1.040 445 A CA -0.566 51.520 52.037 0.081 0.000 0.697 445 A CB 1.286 20.455 19.000 0.282 0.000 1.265 445 A HN 0.440 nan 8.150 nan 0.000 0.407 446 D N 2.077 122.512 120.400 0.058 0.000 2.456 446 D HA 0.122 4.768 4.640 0.010 0.000 0.219 446 D C 0.830 177.262 176.300 0.220 0.000 1.126 446 D CA -0.456 53.613 54.000 0.114 0.000 0.890 446 D CB 0.354 41.154 40.800 0.000 0.000 1.025 446 D HN 0.610 nan 8.370 nan 0.000 0.511 447 W N 4.314 125.654 121.300 0.066 0.000 2.302 447 W HA -0.332 4.334 4.660 0.010 0.000 0.320 447 W C 2.019 178.574 176.519 0.060 0.000 1.241 447 W CA 2.576 59.946 57.345 0.043 0.000 1.264 447 W CB -0.075 29.385 29.460 0.001 0.000 1.154 447 W HN 0.558 nan 8.180 nan 0.000 0.483 448 A N -1.208 121.908 122.820 0.492 0.000 2.032 448 A HA -0.226 4.099 4.320 0.010 0.000 0.221 448 A C 1.480 179.125 177.584 0.102 0.000 1.165 448 A CA 1.758 53.989 52.037 0.324 0.000 0.645 448 A CB -1.318 17.901 19.000 0.367 0.000 0.807 448 A HN 0.562 nan 8.150 nan 0.000 0.453 449 W N -1.050 120.220 121.300 -0.049 0.000 2.812 449 W HA 0.215 4.881 4.660 0.009 0.000 0.263 449 W C 1.820 178.222 176.519 -0.195 0.000 1.284 449 W CA -0.165 57.125 57.345 -0.092 0.000 1.430 449 W CB -0.002 29.430 29.460 -0.046 0.000 1.088 449 W HN 0.146 nan 8.180 nan 0.000 0.623 450 I N -0.372 120.152 120.570 -0.077 0.000 2.333 450 I HA -0.053 4.123 4.170 0.010 0.000 0.246 450 I C 0.740 176.653 176.117 -0.340 0.000 1.106 450 I CA 0.708 61.833 61.300 -0.292 0.000 1.411 450 I CB -1.418 36.343 38.000 -0.399 0.000 1.082 450 I HN -0.430 nan 8.210 nan 0.000 0.420 451 V N 3.908 123.525 119.914 -0.494 0.000 2.585 451 V HA 0.046 4.171 4.120 0.010 0.000 0.296 451 V C -1.924 173.991 176.094 -0.300 0.000 1.035 451 V CA -0.859 61.151 62.300 -0.484 0.000 1.084 451 V CB 0.080 31.383 31.823 -0.867 0.000 0.953 451 V HN 0.129 nan 8.190 nan 0.000 0.483 452 P HA 0.146 nan 4.420 nan 0.000 0.269 452 P C -1.788 175.380 177.300 -0.221 0.000 1.215 452 P CA -1.178 61.795 63.100 -0.211 0.000 0.780 452 P CB 0.096 31.674 31.700 -0.204 0.000 0.898 453 P HA -0.026 nan 4.420 nan 0.000 0.230 453 P C 0.136 177.318 177.300 -0.198 0.000 1.158 453 P CA 1.203 64.179 63.100 -0.206 0.000 0.769 453 P CB -0.006 31.567 31.700 -0.212 0.000 0.807 454 I N -6.879 113.535 120.570 -0.261 0.000 2.865 454 I HA 0.455 4.631 4.170 0.010 0.000 0.302 454 I C -0.086 175.900 176.117 -0.219 0.000 1.140 454 I CA -1.246 59.913 61.300 -0.234 0.000 1.021 454 I CB 2.026 39.862 38.000 -0.273 0.000 1.233 454 I HN -0.405 nan 8.210 nan 0.000 0.427 455 S N 2.209 117.840 115.700 -0.115 0.000 3.533 455 S HA -0.201 4.275 4.470 0.010 0.000 0.347 455 S C 1.394 175.957 174.600 -0.061 0.000 1.101 455 S CA 0.839 59.014 58.200 -0.042 0.000 1.009 455 S CB -1.743 61.508 63.200 0.084 0.000 0.916 455 S HN 1.290 nan 8.310 nan 0.000 0.496 456 G N 2.375 111.114 108.800 -0.101 0.000 2.681 456 G HA2 -0.349 3.616 3.960 0.010 0.000 0.220 456 G HA3 -0.349 3.616 3.960 0.010 0.000 0.220 456 G C 1.409 176.177 174.900 -0.219 0.000 1.210 456 G CA 1.599 46.651 45.100 -0.081 0.000 0.783 456 G HN 1.343 nan 8.290 nan 0.000 0.609 457 S N 0.302 115.599 115.700 -0.672 0.000 2.603 457 S HA 0.206 4.682 4.470 0.010 0.000 0.229 457 S C 1.984 176.477 174.600 -0.179 0.000 0.972 457 S CA 0.510 58.151 58.200 -0.932 0.000 0.935 457 S CB -0.127 62.331 63.200 -1.236 0.000 0.769 457 S HN 0.332 nan 8.310 nan 0.000 0.536 458 L N 1.817 123.009 121.223 -0.051 0.000 2.509 458 L HA 0.146 4.492 4.340 0.010 0.000 0.222 458 L C 1.321 178.302 176.870 0.186 0.000 1.123 458 L CA 0.459 55.358 54.840 0.099 0.000 0.856 458 L CB -0.751 41.396 42.059 0.147 0.000 0.985 458 L HN 0.481 nan 8.230 nan 0.000 0.456 459 T N -4.203 110.444 114.554 0.156 0.000 2.943 459 T HA 0.315 4.671 4.350 0.010 0.000 0.284 459 T C -1.683 173.160 174.700 0.239 0.000 1.015 459 T CA -1.940 60.275 62.100 0.192 0.000 1.042 459 T CB 1.929 70.867 68.868 0.118 0.000 1.055 459 T HN -0.200 nan 8.240 nan 0.000 0.500 460 P HA -0.062 nan 4.420 nan 0.000 0.219 460 P C 1.828 179.312 177.300 0.307 0.000 1.150 460 P CA 1.026 64.310 63.100 0.307 0.000 0.814 460 P CB -0.358 31.478 31.700 0.227 0.000 0.787 461 V N -3.436 116.611 119.914 0.220 0.000 2.490 461 V HA -0.214 3.912 4.120 0.010 0.000 0.250 461 V C 2.407 178.585 176.094 0.140 0.000 1.061 461 V CA 1.269 63.677 62.300 0.180 0.000 1.064 461 V CB -2.299 29.566 31.823 0.070 0.000 0.670 461 V HN -0.112 nan 8.190 nan 0.000 0.461 462 F N 1.882 121.781 119.950 -0.085 0.000 2.120 462 F HA -0.211 4.321 4.527 0.009 0.000 0.300 462 F C 2.527 178.424 175.800 0.162 0.000 1.095 462 F CA 2.385 60.337 58.000 -0.080 0.000 1.249 462 F CB -0.287 38.535 39.000 -0.297 0.000 0.995 462 F HN 0.273 nan 8.300 nan 0.000 0.480 463 H N -0.922 118.495 119.070 0.578 0.000 2.547 463 H HA 0.075 4.637 4.556 0.010 0.000 0.266 463 H C 0.308 175.892 175.328 0.427 0.000 0.988 463 H CA 0.328 56.668 56.048 0.486 0.000 1.147 463 H CB -0.332 29.688 29.762 0.429 0.000 1.365 463 H HN 0.271 nan 8.280 nan 0.000 0.589 464 Q N 2.018 122.094 119.800 0.460 0.000 2.340 464 Q HA 0.153 4.499 4.340 0.010 0.000 0.259 464 Q C -0.537 175.696 176.000 0.389 0.000 0.964 464 Q CA -0.406 55.622 55.803 0.376 0.000 0.900 464 Q CB 0.726 29.650 28.738 0.310 0.000 1.228 464 Q HN 0.235 nan 8.270 nan 0.000 0.449 465 E N 3.375 123.757 120.200 0.304 0.000 2.398 465 E HA 0.244 4.600 4.350 0.010 0.000 0.263 465 E C -0.484 176.251 176.600 0.225 0.000 1.046 465 E CA 0.281 56.812 56.400 0.219 0.000 0.908 465 E CB 0.820 30.629 29.700 0.181 0.000 0.963 465 E HN 0.605 nan 8.360 nan 0.000 0.431 466 M N 1.323 121.052 119.600 0.215 0.000 2.501 466 M HA 0.354 4.840 4.480 0.010 0.000 0.293 466 M C -1.284 175.121 176.300 0.174 0.000 1.192 466 M CA -0.953 54.482 55.300 0.225 0.000 0.886 466 M CB 2.476 35.267 32.600 0.319 0.000 1.710 466 M HN 0.154 nan 8.290 nan 0.000 0.457 467 V N 1.634 121.660 119.914 0.186 0.000 2.384 467 V HA 0.410 4.536 4.120 0.010 0.000 0.287 467 V C -0.633 175.581 176.094 0.201 0.000 1.020 467 V CA -0.739 61.698 62.300 0.228 0.000 0.850 467 V CB 1.519 33.529 31.823 0.313 0.000 0.987 467 V HN 0.873 nan 8.190 nan 0.000 0.436 468 N N 3.633 122.438 118.700 0.175 0.000 2.400 468 N HA 0.705 5.451 4.740 0.010 0.000 0.288 468 N C -1.567 174.039 175.510 0.160 0.000 1.024 468 N CA -0.433 52.642 53.050 0.041 0.000 0.894 468 N CB 1.597 40.111 38.487 0.045 0.000 1.173 468 N HN 0.746 nan 8.380 nan 0.000 0.487 469 Y N 0.725 121.043 120.300 0.029 0.000 2.677 469 Y HA 0.475 5.031 4.550 0.010 0.000 0.334 469 Y C -1.391 174.511 175.900 0.004 0.000 1.196 469 Y CA -1.175 56.937 58.100 0.020 0.000 1.059 469 Y CB 0.722 39.199 38.460 0.028 0.000 1.315 469 Y HN 0.176 nan 8.280 nan 0.000 0.455 470 I N 3.634 124.305 120.570 0.170 0.000 2.304 470 I HA 0.371 4.547 4.170 0.010 0.000 0.291 470 I C -0.700 175.487 176.117 0.116 0.000 1.018 470 I CA -0.367 60.977 61.300 0.073 0.000 1.260 470 I CB 0.806 38.833 38.000 0.044 0.000 1.390 470 I HN 0.419 nan 8.210 nan 0.000 0.475 471 L N 5.100 126.361 121.223 0.064 0.000 2.330 471 L HA 0.568 4.914 4.340 0.010 0.000 0.271 471 L C 0.034 176.910 176.870 0.010 0.000 1.013 471 L CA -0.494 54.389 54.840 0.071 0.000 0.816 471 L CB 2.035 44.138 42.059 0.073 0.000 1.287 471 L HN 0.506 nan 8.230 nan 0.000 0.435 472 S N 1.525 117.240 115.700 0.025 0.000 2.536 472 S HA 0.632 5.108 4.470 0.010 0.000 0.298 472 S C -2.583 172.039 174.600 0.037 0.000 1.083 472 S CA -1.461 56.741 58.200 0.002 0.000 0.995 472 S CB 1.905 65.119 63.200 0.023 0.000 1.058 472 S HN 0.236 nan 8.310 nan 0.000 0.488 473 P HA 0.341 nan 4.420 nan 0.000 0.267 473 P C -1.263 175.921 177.300 -0.193 0.000 1.195 473 P CA 0.105 63.123 63.100 -0.138 0.000 0.773 473 P CB 0.421 31.994 31.700 -0.211 0.000 0.837 474 A N 1.454 124.119 122.820 -0.259 0.000 2.610 474 A HA 0.686 5.012 4.320 0.010 0.000 0.291 474 A C -1.601 175.773 177.584 -0.350 0.000 1.086 474 A CA -0.519 51.364 52.037 -0.256 0.000 0.677 474 A CB 0.785 19.711 19.000 -0.123 0.000 1.278 474 A HN 0.334 nan 8.150 nan 0.000 0.414 475 F N 0.864 120.734 119.950 -0.134 0.000 2.421 475 F HA 0.698 5.230 4.527 0.009 0.000 0.337 475 F C 0.973 176.668 175.800 -0.175 0.000 1.105 475 F CA 0.104 58.026 58.000 -0.131 0.000 1.049 475 F CB 1.833 40.726 39.000 -0.178 0.000 1.139 475 F HN 0.564 nan 8.300 nan 0.000 0.479 476 R N 1.498 122.020 120.500 0.037 0.000 2.836 476 R HA 0.460 4.806 4.340 0.010 0.000 0.269 476 R C -1.630 174.637 176.300 -0.055 0.000 1.010 476 R CA -1.224 54.823 56.100 -0.088 0.000 0.930 476 R CB 1.628 31.912 30.300 -0.027 0.000 1.218 476 R HN 0.397 nan 8.270 nan 0.000 0.473 477 Y N 1.309 121.630 120.300 0.036 0.000 2.300 477 Y HA 0.177 4.733 4.550 0.010 0.000 0.328 477 Y C 0.535 176.434 175.900 -0.002 0.000 1.270 477 Y CA -0.129 57.982 58.100 0.019 0.000 1.352 477 Y CB 0.884 39.345 38.460 0.002 0.000 1.286 477 Y HN 0.438 nan 8.280 nan 0.000 0.536 478 Q N 1.013 120.905 119.800 0.155 0.000 2.416 478 Q HA 0.615 4.960 4.340 0.010 0.000 0.281 478 Q C -3.163 172.805 176.000 -0.055 0.000 1.067 478 Q CA -2.461 53.362 55.803 0.035 0.000 0.809 478 Q CB 2.179 30.929 28.738 0.020 0.000 1.418 478 Q HN 0.265 nan 8.270 nan 0.000 0.411 479 P HA 0.029 nan 4.420 nan 0.000 0.268 479 P C -0.906 176.176 177.300 -0.363 0.000 1.208 479 P CA 0.042 63.013 63.100 -0.216 0.000 0.777 479 P CB 0.425 32.012 31.700 -0.189 0.000 0.875 480 D N 2.978 123.021 120.400 -0.594 0.000 2.389 480 D HA 0.012 4.658 4.640 0.010 0.000 0.247 480 D C -1.009 174.671 176.300 -1.034 0.000 1.128 480 D CA -0.982 52.369 54.000 -1.082 0.000 0.884 480 D CB 0.475 40.115 40.800 -1.934 0.000 1.194 480 D HN 0.291 nan 8.370 nan 0.000 0.441 481 P HA -0.115 nan 4.420 nan 0.000 0.219 481 P C 0.420 177.367 177.300 -0.588 0.000 1.146 481 P CA 0.978 63.665 63.100 -0.689 0.000 0.808 481 P CB 0.112 31.364 31.700 -0.746 0.000 0.779 482 W N 0.000 120.884 121.300 -0.693 0.000 2.388 482 W HA 0.000 4.665 4.660 0.009 0.000 0.303 482 W CA 0.000 57.111 57.345 -0.390 0.000 1.226 482 W CB 0.000 29.231 29.460 -0.382 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535