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 1dmi_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.965 3.960 0.009 0.000 0.244 67 G C 0.000 174.822 174.900 -0.130 0.000 0.946 67 G CA 0.000 45.064 45.100 -0.060 0.000 0.502 68 P HA 0.262 nan 4.420 nan 0.000 0.267 68 P C 0.021 177.238 177.300 -0.138 0.000 1.201 68 P CA -0.183 62.762 63.100 -0.259 0.000 0.775 68 P CB 0.521 31.889 31.700 -0.555 0.000 0.854 69 K N 1.482 121.725 120.400 -0.261 0.000 2.627 69 K HA 0.197 4.522 4.320 0.009 0.000 0.212 69 K C -0.233 176.001 176.600 -0.609 0.000 1.041 69 K CA 0.219 56.244 56.287 -0.436 0.000 1.205 69 K CB -0.587 31.578 32.500 -0.559 0.000 0.936 69 K HN 0.377 nan 8.250 nan 0.000 0.489 70 F N 0.423 120.404 119.950 0.051 0.000 2.598 70 F HA 0.371 4.904 4.527 0.009 0.000 0.327 70 F C -2.056 173.858 175.800 0.191 0.000 1.057 70 F CA -3.095 54.963 58.000 0.097 0.000 0.957 70 F CB 0.429 39.485 39.000 0.092 0.000 1.278 70 F HN -0.230 nan 8.300 nan 0.000 0.484 71 P HA -0.007 nan 4.420 nan 0.000 0.261 71 P C -0.751 176.627 177.300 0.130 0.000 1.173 71 P CA 0.088 63.294 63.100 0.177 0.000 0.760 71 P CB 0.399 32.174 31.700 0.126 0.000 0.783 72 R N 3.249 123.755 120.500 0.010 0.000 2.221 72 R HA 0.379 4.724 4.340 0.009 0.000 0.327 72 R C -1.170 175.012 176.300 -0.197 0.000 1.033 72 R CA -0.504 55.412 56.100 -0.307 0.000 0.887 72 R CB 0.416 30.591 30.300 -0.209 0.000 1.057 72 R HN 0.219 nan 8.270 nan 0.000 0.455 73 V N 5.317 125.083 119.914 -0.247 0.000 2.417 73 V HA 0.343 4.468 4.120 0.009 0.000 0.291 73 V C -0.194 175.816 176.094 -0.140 0.000 1.024 73 V CA -0.692 61.544 62.300 -0.106 0.000 0.861 73 V CB 1.451 33.252 31.823 -0.036 0.000 0.985 73 V HN 0.710 nan 8.190 nan 0.000 0.436 74 K N 3.915 124.258 120.400 -0.095 0.000 2.259 74 K HA 0.445 4.771 4.320 0.009 0.000 0.249 74 K C -0.652 175.879 176.600 -0.114 0.000 0.942 74 K CA -0.723 55.439 56.287 -0.207 0.000 0.816 74 K CB 1.549 33.779 32.500 -0.449 0.000 1.155 74 K HN 0.700 nan 8.250 nan 0.000 0.428 75 N N 3.978 122.591 118.700 -0.145 0.000 2.476 75 N HA 0.114 4.859 4.740 0.009 0.000 0.257 75 N C -0.365 175.112 175.510 -0.054 0.000 0.970 75 N CA -0.401 52.670 53.050 0.035 0.000 0.938 75 N CB 0.515 39.038 38.487 0.060 0.000 1.144 75 N HN 0.677 nan 8.380 nan 0.000 0.500 76 W N 2.094 123.470 121.300 0.127 0.000 2.800 76 W HA 0.122 4.788 4.660 0.009 0.000 0.249 76 W C 2.046 178.603 176.519 0.064 0.000 1.294 76 W CA -0.052 57.355 57.345 0.103 0.000 1.402 76 W CB 0.261 29.805 29.460 0.141 0.000 1.126 76 W HN 0.659 nan 8.180 nan 0.000 0.652 77 E N 0.428 120.755 120.200 0.211 0.000 2.060 77 E HA -0.093 4.263 4.350 0.009 0.000 0.189 77 E C 1.715 178.337 176.600 0.036 0.000 0.974 77 E CA 0.947 57.380 56.400 0.054 0.000 0.808 77 E CB -0.218 29.481 29.700 -0.000 0.000 0.768 77 E HN 0.243 nan 8.360 nan 0.000 0.453 78 L N -0.729 120.516 121.223 0.037 0.000 2.554 78 L HA 0.302 4.647 4.340 0.009 0.000 0.225 78 L C 1.558 178.411 176.870 -0.029 0.000 1.104 78 L CA 0.435 55.279 54.840 0.007 0.000 0.866 78 L CB 0.479 42.547 42.059 0.015 0.000 1.047 78 L HN 0.415 nan 8.230 nan 0.000 0.468 79 G N 0.393 109.153 108.800 -0.067 0.000 2.184 79 G HA2 -0.326 3.640 3.960 0.009 0.000 0.264 79 G HA3 -0.326 3.640 3.960 0.009 0.000 0.264 79 G C 0.434 175.242 174.900 -0.152 0.000 0.975 79 G CA 0.471 45.487 45.100 -0.141 0.000 0.642 79 G HN 0.472 nan 8.290 nan 0.000 0.536 80 S N 0.166 115.800 115.700 -0.109 0.000 2.576 80 S HA 0.722 5.197 4.470 0.009 0.000 0.276 80 S C 0.189 174.707 174.600 -0.136 0.000 1.339 80 S CA -0.512 57.631 58.200 -0.095 0.000 1.039 80 S CB 1.936 65.105 63.200 -0.053 0.000 0.902 80 S HN 0.436 nan 8.310 nan 0.000 0.516 81 I N 2.307 122.803 120.570 -0.124 0.000 2.509 81 I HA 0.548 4.723 4.170 0.009 0.000 0.293 81 I C 0.279 176.305 176.117 -0.153 0.000 1.020 81 I CA -0.213 60.981 61.300 -0.177 0.000 1.088 81 I CB 1.712 39.603 38.000 -0.181 0.000 1.267 81 I HN 1.052 nan 8.210 nan 0.000 0.430 82 T N 2.054 116.469 114.554 -0.231 0.000 2.864 82 T HA 0.689 5.044 4.350 0.009 0.000 0.299 82 T C -1.293 173.211 174.700 -0.327 0.000 1.166 82 T CA -0.715 61.295 62.100 -0.150 0.000 1.007 82 T CB 1.949 70.777 68.868 -0.067 0.000 1.219 82 T HN 0.247 nan 8.240 nan 0.000 0.506 83 Y N 0.219 120.510 120.300 -0.015 0.000 2.364 83 Y HA 0.492 5.047 4.550 0.009 0.000 0.340 83 Y C -0.004 175.864 175.900 -0.053 0.000 0.975 83 Y CA -0.926 57.176 58.100 0.003 0.000 1.089 83 Y CB 1.754 40.232 38.460 0.030 0.000 1.192 83 Y HN 0.709 nan 8.280 nan 0.000 0.454 84 D N 1.962 122.422 120.400 0.101 0.000 2.347 84 D HA 0.088 4.734 4.640 0.009 0.000 0.235 84 D C 0.673 176.919 176.300 -0.089 0.000 1.149 84 D CA 0.115 54.126 54.000 0.019 0.000 0.850 84 D CB 1.238 42.084 40.800 0.077 0.000 1.061 84 D HN 0.798 nan 8.370 nan 0.000 0.487 85 T N 1.014 115.384 114.554 -0.305 0.000 3.022 85 T HA -0.039 4.316 4.350 0.009 0.000 0.250 85 T C 1.793 176.331 174.700 -0.271 0.000 1.060 85 T CA -0.236 61.493 62.100 -0.617 0.000 1.013 85 T CB 0.135 68.439 68.868 -0.940 0.000 0.982 85 T HN 0.250 nan 8.240 nan 0.000 0.508 86 L N 2.393 123.512 121.223 -0.173 0.000 2.141 86 L HA 0.076 4.422 4.340 0.009 0.000 0.209 86 L C 2.615 179.350 176.870 -0.226 0.000 1.094 86 L CA 1.245 56.022 54.840 -0.105 0.000 0.763 86 L CB -0.934 41.141 42.059 0.026 0.000 0.908 86 L HN 0.636 nan 8.230 nan 0.000 0.437 87 C N -1.339 117.638 119.300 -0.538 0.000 2.409 87 C HA 0.003 4.469 4.460 0.009 0.000 0.284 87 C C 2.814 177.588 174.990 -0.361 0.000 1.354 87 C CA 0.179 58.605 59.018 -0.986 0.000 1.787 87 C CB -2.305 24.834 27.740 -1.001 0.000 1.900 87 C HN 0.589 nan 8.230 nan 0.000 0.520 88 A N 0.492 123.233 122.820 -0.133 0.000 2.019 88 A HA -0.168 4.157 4.320 0.009 0.000 0.219 88 A C 2.212 179.787 177.584 -0.016 0.000 1.164 88 A CA 1.593 53.630 52.037 -0.001 0.000 0.644 88 A CB -0.608 18.475 19.000 0.138 0.000 0.805 88 A HN 0.810 nan 8.150 nan 0.000 0.449 89 Q N -0.257 119.522 119.800 -0.036 0.000 2.403 89 Q HA 0.111 4.456 4.340 0.009 0.000 0.203 89 Q C 0.454 176.468 176.000 0.023 0.000 0.932 89 Q CA 0.013 55.819 55.803 0.005 0.000 0.945 89 Q CB 0.182 28.930 28.738 0.016 0.000 1.045 89 Q HN 0.470 nan 8.270 nan 0.000 0.511 90 S N 0.823 116.525 115.700 0.002 0.000 2.465 90 S HA 0.012 4.487 4.470 0.009 0.000 0.280 90 S C 0.805 175.431 174.600 0.045 0.000 1.232 90 S CA -0.244 57.991 58.200 0.058 0.000 1.066 90 S CB 0.495 63.735 63.200 0.066 0.000 0.929 90 S HN 0.191 nan 8.310 nan 0.000 0.494 91 Q N 2.895 122.728 119.800 0.054 0.000 2.319 91 Q HA 0.211 4.556 4.340 0.009 0.000 0.202 91 Q C 0.221 176.246 176.000 0.042 0.000 0.896 91 Q CA 0.325 56.154 55.803 0.044 0.000 0.942 91 Q CB 0.399 29.166 28.738 0.047 0.000 1.083 91 Q HN 0.781 nan 8.270 nan 0.000 0.510 92 Q N 0.496 120.325 119.800 0.049 0.000 2.365 92 Q HA 0.224 4.569 4.340 0.009 0.000 0.269 92 Q C -1.127 174.903 176.000 0.049 0.000 1.061 92 Q CA -0.581 55.248 55.803 0.042 0.000 0.816 92 Q CB 1.615 30.375 28.738 0.037 0.000 1.325 92 Q HN -0.007 nan 8.270 nan 0.000 0.446 93 D N 1.096 121.520 120.400 0.040 0.000 2.348 93 D HA 0.436 5.081 4.640 0.009 0.000 0.249 93 D C -0.139 176.188 176.300 0.045 0.000 1.110 93 D CA -0.016 54.009 54.000 0.043 0.000 0.967 93 D CB 1.537 42.356 40.800 0.033 0.000 1.139 93 D HN 0.703 nan 8.370 nan 0.000 0.466 94 G N -0.307 108.523 108.800 0.050 0.000 3.107 94 G HA2 0.387 4.352 3.960 0.009 0.000 0.232 94 G HA3 0.387 4.352 3.960 0.009 0.000 0.232 94 G C -1.747 173.179 174.900 0.043 0.000 1.339 94 G CA -0.659 44.471 45.100 0.049 0.000 1.033 94 G HN 0.245 nan 8.290 nan 0.000 0.567 95 P HA 0.060 nan 4.420 nan 0.000 0.220 95 P C 0.643 177.966 177.300 0.038 0.000 1.152 95 P CA 0.323 63.448 63.100 0.042 0.000 0.812 95 P CB 0.041 31.770 31.700 0.047 0.000 0.792 96 C N 1.170 120.496 119.300 0.042 0.000 2.656 96 C HA 0.467 4.932 4.460 0.009 0.000 0.391 96 C C 1.148 176.157 174.990 0.031 0.000 1.300 96 C CA 0.191 59.231 59.018 0.037 0.000 2.302 96 C CB 0.083 27.848 27.740 0.043 0.000 2.655 96 C HN 0.417 nan 8.230 nan 0.000 0.656 97 T N -1.478 113.091 114.554 0.025 0.000 2.868 97 T HA 0.396 4.751 4.350 0.009 0.000 0.306 97 T C -2.408 172.302 174.700 0.017 0.000 1.224 97 T CA -1.127 60.985 62.100 0.020 0.000 1.012 97 T CB 1.390 70.268 68.868 0.017 0.000 1.221 97 T HN 0.258 nan 8.240 nan 0.000 0.499 98 P HA -0.069 nan 4.420 nan 0.000 0.218 98 P C 1.544 178.849 177.300 0.009 0.000 1.146 98 P CA 0.795 63.901 63.100 0.010 0.000 0.813 98 P CB 0.161 31.865 31.700 0.007 0.000 0.778 99 R N -0.228 120.278 120.500 0.009 0.000 2.064 99 R HA -0.081 4.265 4.340 0.009 0.000 0.228 99 R C 0.852 177.157 176.300 0.008 0.000 1.144 99 R CA 1.217 57.322 56.100 0.008 0.000 0.932 99 R CB 0.073 30.379 30.300 0.009 0.000 0.833 99 R HN 0.088 nan 8.270 nan 0.000 0.429 100 R N -0.155 120.352 120.500 0.011 0.000 2.808 100 R HA 0.236 4.581 4.340 0.009 0.000 0.272 100 R C -1.541 174.768 176.300 0.016 0.000 0.995 100 R CA -0.744 55.363 56.100 0.012 0.000 0.917 100 R CB 0.582 30.889 30.300 0.012 0.000 1.217 100 R HN 0.206 nan 8.270 nan 0.000 0.471 101 C N 3.658 122.967 119.300 0.015 0.000 2.239 101 C HA 0.501 4.966 4.460 0.009 0.000 0.325 101 C C 0.548 175.555 174.990 0.028 0.000 1.231 101 C CA -0.722 58.309 59.018 0.021 0.000 1.652 101 C CB -1.259 26.489 27.740 0.013 0.000 2.284 101 C HN 0.725 nan 8.230 nan 0.000 0.499 102 L N 6.052 127.297 121.223 0.037 0.000 3.036 102 L HA 0.287 4.633 4.340 0.009 0.000 0.237 102 L C 1.840 178.746 176.870 0.061 0.000 1.319 102 L CA 0.098 54.965 54.840 0.045 0.000 1.112 102 L CB -0.082 42.002 42.059 0.042 0.000 1.480 102 L HN 1.011 nan 8.230 nan 0.000 0.506 103 G N -0.273 108.565 108.800 0.064 0.000 2.572 103 G HA2 -0.183 3.782 3.960 0.009 0.000 0.216 103 G HA3 -0.183 3.782 3.960 0.009 0.000 0.216 103 G C 1.525 176.500 174.900 0.125 0.000 1.133 103 G CA 0.910 46.062 45.100 0.087 0.000 0.791 103 G HN 0.527 nan 8.290 nan 0.000 0.538 104 S N -0.370 115.401 115.700 0.118 0.000 2.524 104 S HA 0.286 4.761 4.470 0.009 0.000 0.216 104 S C 0.650 175.349 174.600 0.163 0.000 0.987 104 S CA -0.444 57.848 58.200 0.153 0.000 0.909 104 S CB -0.010 63.256 63.200 0.111 0.000 0.781 104 S HN -0.027 nan 8.310 nan 0.000 0.521 105 L N 2.603 123.903 121.223 0.129 0.000 2.462 105 L HA 0.202 4.547 4.340 0.009 0.000 0.272 105 L C 1.361 178.332 176.870 0.168 0.000 1.166 105 L CA 0.190 55.102 54.840 0.121 0.000 0.880 105 L CB 0.559 42.667 42.059 0.082 0.000 1.142 105 L HN 0.002 nan 8.230 nan 0.000 0.473 106 V N 4.325 124.356 119.914 0.194 0.000 2.453 106 V HA -0.118 4.007 4.120 0.009 0.000 0.247 106 V C 1.101 177.284 176.094 0.149 0.000 1.048 106 V CA 1.315 63.776 62.300 0.268 0.000 1.049 106 V CB -0.306 31.690 31.823 0.290 0.000 0.672 106 V HN 0.566 nan 8.190 nan 0.000 0.457 107 L N 0.943 122.206 121.223 0.067 0.000 2.732 107 L HA 0.374 4.719 4.340 0.009 0.000 0.246 107 L C -2.581 174.315 176.870 0.043 0.000 1.407 107 L CA -1.280 53.568 54.840 0.013 0.000 0.861 107 L CB 0.635 42.637 42.059 -0.095 0.000 1.161 107 L HN 0.202 nan 8.230 nan 0.000 0.510 108 P HA 0.135 nan 4.420 nan 0.000 0.271 108 P C -0.058 177.273 177.300 0.052 0.000 1.216 108 P CA -0.452 62.681 63.100 0.056 0.000 0.776 108 P CB 0.580 32.317 31.700 0.061 0.000 0.881 109 R N 3.495 124.017 120.500 0.037 0.000 4.154 109 R HA 0.118 4.463 4.340 0.009 0.000 0.186 109 R C 0.503 176.822 176.300 0.032 0.000 1.750 109 R CA 0.282 56.401 56.100 0.031 0.000 1.431 109 R CB -0.433 29.878 30.300 0.019 0.000 1.383 109 R HN 0.409 nan 8.270 nan 0.000 0.788 110 K N -0.065 120.359 120.400 0.040 0.000 2.639 110 K HA 0.247 4.572 4.320 0.009 0.000 0.242 110 K C 1.918 178.538 176.600 0.034 0.000 1.386 110 K CA -0.189 56.118 56.287 0.034 0.000 0.780 110 K CB -0.761 31.761 32.500 0.035 0.000 1.790 110 K HN 0.083 nan 8.250 nan 0.000 0.369 111 L N 1.883 123.129 121.223 0.038 0.000 2.010 111 L HA -0.216 4.129 4.340 0.009 0.000 0.219 111 L C 0.764 177.658 176.870 0.040 0.000 1.077 111 L CA 1.094 55.952 54.840 0.029 0.000 0.773 111 L CB -0.635 41.433 42.059 0.016 0.000 0.892 111 L HN 0.421 nan 8.230 nan 0.000 0.436 112 Q N 1.682 121.525 119.800 0.070 0.000 4.078 112 Q HA -0.186 4.159 4.340 0.009 0.000 0.380 112 Q C 0.212 176.235 176.000 0.038 0.000 1.164 112 Q CA 0.842 56.689 55.803 0.072 0.000 1.246 112 Q CB -0.352 28.417 28.738 0.050 0.000 1.084 112 Q HN 0.426 nan 8.270 nan 0.000 0.492 113 T N 2.155 116.732 114.554 0.039 0.000 4.280 113 T HA 0.249 4.604 4.350 0.009 0.000 0.245 113 T C 0.222 174.922 174.700 -0.000 0.000 1.100 113 T CA -0.692 61.417 62.100 0.015 0.000 1.137 113 T CB -0.024 68.853 68.868 0.015 0.000 1.296 113 T HN 0.432 nan 8.240 nan 0.000 0.998 114 R N 2.782 123.279 120.500 -0.006 0.000 2.623 114 R HA 0.252 4.597 4.340 0.009 0.000 0.271 114 R C -2.415 173.870 176.300 -0.024 0.000 1.043 114 R CA -1.694 54.394 56.100 -0.021 0.000 1.083 114 R CB -0.419 29.870 30.300 -0.017 0.000 0.974 114 R HN 0.296 nan 8.270 nan 0.000 0.436 115 P HA -0.007 nan 4.420 nan 0.000 0.258 115 P C -1.046 176.241 177.300 -0.022 0.000 1.187 115 P CA 0.493 63.574 63.100 -0.032 0.000 0.767 115 P CB 0.515 32.190 31.700 -0.041 0.000 0.770 116 S N 3.386 119.074 115.700 -0.019 0.000 2.497 116 S HA 0.357 4.832 4.470 0.009 0.000 0.176 116 S C -1.641 172.950 174.600 -0.014 0.000 1.445 116 S CA -1.196 56.996 58.200 -0.014 0.000 1.092 116 S CB -0.022 63.170 63.200 -0.013 0.000 1.216 116 S HN 0.166 nan 8.310 nan 0.000 0.486 117 P HA -0.065 nan 4.420 nan 0.000 0.207 117 P C 1.039 178.334 177.300 -0.008 0.000 0.954 117 P CA 1.298 64.392 63.100 -0.009 0.000 0.990 117 P CB -0.705 30.992 31.700 -0.006 0.000 0.721 118 G N 1.238 110.035 108.800 -0.004 0.000 2.163 118 G HA2 0.048 4.013 3.960 0.009 0.000 0.239 118 G HA3 0.048 4.013 3.960 0.009 0.000 0.239 118 G C -2.191 172.707 174.900 -0.004 0.000 1.148 118 G CA -0.497 44.602 45.100 -0.002 0.000 0.880 118 G HN 0.200 nan 8.290 nan 0.000 0.466 119 P HA 0.011 nan 4.420 nan 0.000 0.265 119 P C -1.700 175.600 177.300 -0.001 0.000 1.167 119 P CA -0.312 62.786 63.100 -0.004 0.000 0.760 119 P CB 0.109 31.810 31.700 0.002 0.000 0.783 120 P HA 0.237 nan 4.420 nan 0.000 0.274 120 P C -2.523 174.782 177.300 0.009 0.000 1.237 120 P CA -1.680 61.422 63.100 0.002 0.000 0.793 120 P CB -0.504 31.196 31.700 -0.001 0.000 0.977 121 P HA -0.013 nan 4.420 nan 0.000 0.257 121 P C 1.000 178.311 177.300 0.019 0.000 1.189 121 P CA 0.380 63.489 63.100 0.014 0.000 0.780 121 P CB -0.100 31.607 31.700 0.013 0.000 0.772 122 A N 4.102 126.933 122.820 0.019 0.000 1.971 122 A HA -0.290 4.035 4.320 0.009 0.000 0.222 122 A C 2.128 179.726 177.584 0.023 0.000 1.182 122 A CA 2.164 54.215 52.037 0.023 0.000 0.649 122 A CB -0.750 18.262 19.000 0.020 0.000 0.818 122 A HN 0.514 nan 8.150 nan 0.000 0.458 123 E N -0.709 119.502 120.200 0.018 0.000 2.170 123 E HA -0.122 4.233 4.350 0.009 0.000 0.191 123 E C 2.107 178.719 176.600 0.021 0.000 0.981 123 E CA 1.322 57.731 56.400 0.016 0.000 0.830 123 E CB -0.268 29.439 29.700 0.012 0.000 0.775 123 E HN 0.740 nan 8.360 nan 0.000 0.470 124 Q N -0.359 119.454 119.800 0.023 0.000 2.079 124 Q HA -0.117 4.229 4.340 0.009 0.000 0.200 124 Q C 2.057 178.080 176.000 0.039 0.000 0.974 124 Q CA 1.368 57.188 55.803 0.027 0.000 0.840 124 Q CB -0.215 28.537 28.738 0.023 0.000 0.898 124 Q HN 0.370 nan 8.270 nan 0.000 0.430 125 L N 0.171 121.420 121.223 0.044 0.000 2.046 125 L HA -0.165 4.180 4.340 0.009 0.000 0.208 125 L C 1.996 178.911 176.870 0.075 0.000 1.077 125 L CA 1.519 56.403 54.840 0.072 0.000 0.747 125 L CB -0.763 41.345 42.059 0.082 0.000 0.896 125 L HN 0.354 nan 8.230 nan 0.000 0.432 126 L N -0.255 120.991 121.223 0.040 0.000 1.970 126 L HA -0.228 4.117 4.340 0.009 0.000 0.212 126 L C 2.866 179.746 176.870 0.016 0.000 1.071 126 L CA 2.360 57.204 54.840 0.007 0.000 0.751 126 L CB -1.471 40.588 42.059 -0.001 0.000 0.889 126 L HN 0.676 nan 8.230 nan 0.000 0.432 127 S N -1.277 114.440 115.700 0.029 0.000 2.400 127 S HA -0.262 4.213 4.470 0.009 0.000 0.232 127 S C 1.799 176.437 174.600 0.064 0.000 1.025 127 S CA 1.279 59.502 58.200 0.038 0.000 0.993 127 S CB -0.417 62.803 63.200 0.034 0.000 0.808 127 S HN 0.535 nan 8.310 nan 0.000 0.478 128 Q N 0.776 120.622 119.800 0.077 0.000 2.123 128 Q HA 0.158 4.503 4.340 0.009 0.000 0.199 128 Q C 2.599 178.699 176.000 0.166 0.000 0.966 128 Q CA 1.200 57.070 55.803 0.111 0.000 0.845 128 Q CB -0.420 28.377 28.738 0.099 0.000 0.907 128 Q HN 0.782 nan 8.270 nan 0.000 0.439 129 A N 1.107 124.008 122.820 0.136 0.000 1.929 129 A HA -0.148 4.177 4.320 0.009 0.000 0.216 129 A C 1.949 179.598 177.584 0.108 0.000 1.176 129 A CA 0.948 53.056 52.037 0.118 0.000 0.628 129 A CB -0.258 18.593 19.000 -0.248 0.000 0.816 129 A HN 0.188 nan 8.150 nan 0.000 0.444 130 R N -0.440 120.094 120.500 0.057 0.000 2.081 130 R HA -0.158 4.187 4.340 0.009 0.000 0.235 130 R C 1.980 178.352 176.300 0.121 0.000 1.131 130 R CA 1.628 57.769 56.100 0.067 0.000 0.960 130 R CB -0.493 29.829 30.300 0.036 0.000 0.856 130 R HN 0.678 nan 8.270 nan 0.000 0.436 131 D N 0.211 120.692 120.400 0.135 0.000 2.117 131 D HA -0.206 4.439 4.640 0.009 0.000 0.197 131 D C 1.645 178.062 176.300 0.194 0.000 0.987 131 D CA 0.986 55.074 54.000 0.146 0.000 0.829 131 D CB -0.054 40.830 40.800 0.139 0.000 0.961 131 D HN 0.129 nan 8.370 nan 0.000 0.460 132 F N 0.870 120.903 119.950 0.138 0.000 2.102 132 F HA -0.092 4.439 4.527 0.008 0.000 0.298 132 F C 1.937 177.866 175.800 0.214 0.000 1.105 132 F CA 1.048 59.163 58.000 0.192 0.000 1.239 132 F CB -0.290 38.834 39.000 0.207 0.000 0.991 132 F HN -0.017 nan 8.300 nan 0.000 0.474 133 I N 1.035 121.582 120.570 -0.039 0.000 2.208 133 I HA -0.319 3.856 4.170 0.009 0.000 0.245 133 I C 1.981 178.072 176.117 -0.043 0.000 1.097 133 I CA 1.254 62.520 61.300 -0.057 0.000 1.363 133 I CB -1.712 36.387 38.000 0.164 0.000 1.051 133 I HN 0.240 nan 8.210 nan 0.000 0.413 134 N N 0.964 119.678 118.700 0.024 0.000 2.120 134 N HA -0.189 4.557 4.740 0.009 0.000 0.188 134 N C 1.847 177.279 175.510 -0.129 0.000 1.024 134 N CA 1.107 54.153 53.050 -0.007 0.000 0.852 134 N CB -0.381 38.176 38.487 0.117 0.000 1.003 134 N HN 0.503 nan 8.380 nan 0.000 0.424 135 Q N -0.689 119.049 119.800 -0.104 0.000 2.084 135 Q HA -0.176 4.170 4.340 0.009 0.000 0.202 135 Q C 1.738 177.493 176.000 -0.408 0.000 0.978 135 Q CA 1.224 56.977 55.803 -0.084 0.000 0.844 135 Q CB -0.237 28.598 28.738 0.162 0.000 0.898 135 Q HN 0.466 nan 8.270 nan 0.000 0.426 136 Y N -0.052 119.766 120.300 -0.802 0.000 2.114 136 Y HA -0.275 4.279 4.550 0.007 0.000 0.284 136 Y C 1.671 176.999 175.900 -0.952 0.000 1.143 136 Y CA 1.537 58.889 58.100 -1.246 0.000 1.135 136 Y CB -0.454 37.333 38.460 -1.123 0.000 0.980 136 Y HN 0.071 nan 8.280 nan 0.000 0.499 137 Y N -0.826 119.029 120.300 -0.740 0.000 2.352 137 Y HA -0.187 4.368 4.550 0.010 0.000 0.292 137 Y C 3.013 178.583 175.900 -0.550 0.000 1.136 137 Y CA 1.628 59.300 58.100 -0.714 0.000 1.227 137 Y CB -0.546 37.405 38.460 -0.849 0.000 0.991 137 Y HN 0.216 nan 8.280 nan 0.000 0.545 138 S N -0.642 114.835 115.700 -0.372 0.000 2.371 138 S HA -0.180 4.295 4.470 0.009 0.000 0.224 138 S C 2.364 176.796 174.600 -0.281 0.000 1.029 138 S CA 1.322 59.381 58.200 -0.236 0.000 0.978 138 S CB -0.631 62.477 63.200 -0.152 0.000 0.833 138 S HN 0.572 nan 8.310 nan 0.000 0.466 139 S N 1.990 117.430 115.700 -0.435 0.000 2.419 139 S HA -0.061 4.414 4.470 0.009 0.000 0.233 139 S C 1.674 176.044 174.600 -0.385 0.000 1.016 139 S CA 1.146 59.124 58.200 -0.370 0.000 0.974 139 S CB -0.953 61.916 63.200 -0.552 0.000 0.786 139 S HN 0.809 nan 8.310 nan 0.000 0.492 140 I N -3.260 116.978 120.570 -0.553 0.000 3.928 140 I HA 0.388 4.564 4.170 0.009 0.000 0.335 140 I C -0.371 175.593 176.117 -0.255 0.000 1.325 140 I CA -0.527 60.515 61.300 -0.431 0.000 1.107 140 I CB -0.119 37.513 38.000 -0.612 0.000 1.014 140 I HN -0.123 nan 8.210 nan 0.000 0.400 141 K N 2.467 122.741 120.400 -0.209 0.000 3.150 141 K HA -0.149 4.177 4.320 0.009 0.000 0.267 141 K C -0.059 176.499 176.600 -0.070 0.000 1.028 141 K CA 0.439 56.657 56.287 -0.115 0.000 0.753 141 K CB -1.463 30.986 32.500 -0.085 0.000 1.288 141 K HN 0.581 nan 8.250 nan 0.000 0.473 142 R N -0.924 119.547 120.500 -0.049 0.000 2.592 142 R HA 0.073 4.418 4.340 0.009 0.000 0.439 142 R C 0.136 176.494 176.300 0.095 0.000 0.995 142 R CA -0.276 55.850 56.100 0.043 0.000 1.141 142 R CB 0.823 31.192 30.300 0.116 0.000 1.495 142 R HN 0.198 nan 8.270 nan 0.000 0.579 143 S N -0.036 115.698 115.700 0.057 0.000 2.546 143 S HA 0.241 4.716 4.470 0.009 0.000 0.290 143 S C 1.397 176.111 174.600 0.189 0.000 1.290 143 S CA 1.625 59.917 58.200 0.154 0.000 1.069 143 S CB 0.322 63.564 63.200 0.070 0.000 0.846 143 S HN 0.723 nan 8.310 nan 0.000 0.495 144 G N 3.128 112.115 108.800 0.311 0.000 2.179 144 G HA2 -0.307 3.658 3.960 0.009 0.000 0.260 144 G HA3 -0.307 3.658 3.960 0.009 0.000 0.260 144 G C 0.351 175.232 174.900 -0.032 0.000 0.977 144 G CA 0.650 45.753 45.100 0.005 0.000 0.641 144 G HN 1.649 nan 8.290 nan 0.000 0.533 145 S N -0.757 114.955 115.700 0.020 0.000 2.626 145 S HA 0.423 4.898 4.470 0.009 0.000 0.257 145 S C 1.338 175.900 174.600 -0.064 0.000 1.288 145 S CA 0.761 58.953 58.200 -0.013 0.000 0.980 145 S CB 1.205 64.419 63.200 0.023 0.000 0.975 145 S HN 0.534 nan 8.310 nan 0.000 0.577 146 Q N 0.234 120.005 119.800 -0.048 0.000 2.079 146 Q HA -0.076 4.269 4.340 0.009 0.000 0.200 146 Q C 2.263 178.219 176.000 -0.075 0.000 0.974 146 Q CA 1.359 57.127 55.803 -0.060 0.000 0.840 146 Q CB -0.752 27.968 28.738 -0.031 0.000 0.898 146 Q HN 0.919 nan 8.270 nan 0.000 0.430 147 A N 0.038 122.829 122.820 -0.049 0.000 1.972 147 A HA -0.242 4.083 4.320 0.009 0.000 0.219 147 A C 1.835 179.253 177.584 -0.277 0.000 1.169 147 A CA 1.693 53.708 52.037 -0.036 0.000 0.635 147 A CB -0.947 18.128 19.000 0.125 0.000 0.810 147 A HN 0.700 nan 8.150 nan 0.000 0.446 148 H N -0.652 117.996 119.070 -0.703 0.000 2.299 148 H HA -0.097 4.465 4.556 0.009 0.000 0.302 148 H C 1.875 176.879 175.328 -0.540 0.000 1.078 148 H CA 1.193 56.526 56.048 -1.190 0.000 1.323 148 H CB 0.104 29.354 29.762 -0.853 0.000 1.381 148 H HN 0.420 nan 8.280 nan 0.000 0.498 149 E N 0.664 120.664 120.200 -0.334 0.000 2.153 149 E HA -0.154 4.202 4.350 0.009 0.000 0.194 149 E C 2.026 178.531 176.600 -0.157 0.000 0.988 149 E CA 0.917 57.144 56.400 -0.287 0.000 0.811 149 E CB -0.067 29.495 29.700 -0.230 0.000 0.746 149 E HN 0.713 nan 8.360 nan 0.000 0.466 150 E N 0.530 120.659 120.200 -0.118 0.000 2.072 150 E HA -0.145 4.211 4.350 0.009 0.000 0.190 150 E C 2.179 178.763 176.600 -0.027 0.000 0.982 150 E CA 0.599 56.965 56.400 -0.057 0.000 0.803 150 E CB -0.070 29.612 29.700 -0.030 0.000 0.755 150 E HN -0.058 nan 8.360 nan 0.000 0.453 151 R N 1.407 121.895 120.500 -0.020 0.000 2.096 151 R HA -0.094 4.251 4.340 0.009 0.000 0.235 151 R C 2.082 178.402 176.300 0.033 0.000 1.127 151 R CA 1.068 57.203 56.100 0.058 0.000 0.968 151 R CB -0.467 29.937 30.300 0.174 0.000 0.861 151 R HN 0.149 nan 8.270 nan 0.000 0.440 152 L N -0.026 121.193 121.223 -0.007 0.000 2.093 152 L HA -0.176 4.170 4.340 0.009 0.000 0.208 152 L C 2.435 179.278 176.870 -0.044 0.000 1.085 152 L CA 1.577 56.401 54.840 -0.027 0.000 0.755 152 L CB -0.405 41.611 42.059 -0.072 0.000 0.904 152 L HN 0.324 nan 8.230 nan 0.000 0.435 153 Q N -0.539 119.235 119.800 -0.044 0.000 2.167 153 Q HA -0.227 4.119 4.340 0.009 0.000 0.202 153 Q C 2.052 178.043 176.000 -0.014 0.000 0.970 153 Q CA 1.244 57.027 55.803 -0.033 0.000 0.855 153 Q CB -0.016 28.702 28.738 -0.033 0.000 0.911 153 Q HN 0.482 nan 8.270 nan 0.000 0.438 154 E N 0.255 120.455 120.200 0.000 0.000 2.046 154 E HA -0.148 4.207 4.350 0.009 0.000 0.190 154 E C 1.979 178.591 176.600 0.021 0.000 0.982 154 E CA 0.924 57.339 56.400 0.025 0.000 0.800 154 E CB 0.245 29.975 29.700 0.050 0.000 0.756 154 E HN 0.122 nan 8.360 nan 0.000 0.449 155 V N 1.583 121.484 119.914 -0.022 0.000 2.343 155 V HA -0.258 3.867 4.120 0.009 0.000 0.247 155 V C 2.090 178.124 176.094 -0.099 0.000 1.051 155 V CA 2.114 64.341 62.300 -0.121 0.000 1.036 155 V CB -0.496 31.132 31.823 -0.326 0.000 0.654 155 V HN 0.293 nan 8.190 nan 0.000 0.451 156 E N 0.267 120.424 120.200 -0.072 0.000 2.072 156 E HA -0.181 4.174 4.350 0.009 0.000 0.191 156 E C 2.365 178.962 176.600 -0.006 0.000 0.985 156 E CA 1.261 57.636 56.400 -0.042 0.000 0.801 156 E CB -0.358 29.320 29.700 -0.037 0.000 0.750 156 E HN 0.594 nan 8.360 nan 0.000 0.452 157 A N 1.563 124.385 122.820 0.004 0.000 1.883 157 A HA -0.292 4.033 4.320 0.009 0.000 0.217 157 A C 2.082 179.691 177.584 0.041 0.000 1.186 157 A CA 1.885 53.934 52.037 0.020 0.000 0.624 157 A CB -0.547 18.466 19.000 0.022 0.000 0.822 157 A HN 0.280 nan 8.150 nan 0.000 0.444 158 E N -0.394 119.843 120.200 0.061 0.000 2.077 158 E HA -0.135 4.221 4.350 0.009 0.000 0.193 158 E C 1.819 178.481 176.600 0.102 0.000 0.989 158 E CA 1.470 57.932 56.400 0.103 0.000 0.800 158 E CB -0.128 29.671 29.700 0.165 0.000 0.746 158 E HN 0.310 nan 8.360 nan 0.000 0.452 159 V N 1.010 120.976 119.914 0.087 0.000 2.515 159 V HA -0.215 3.911 4.120 0.009 0.000 0.250 159 V C 2.350 178.476 176.094 0.054 0.000 1.058 159 V CA 1.602 63.951 62.300 0.083 0.000 1.064 159 V CB -0.579 31.282 31.823 0.063 0.000 0.675 159 V HN 0.435 nan 8.190 nan 0.000 0.461 160 A N 0.583 123.427 122.820 0.039 0.000 1.969 160 A HA -0.162 4.163 4.320 0.009 0.000 0.218 160 A C 2.466 180.070 177.584 0.033 0.000 1.169 160 A CA 2.149 54.203 52.037 0.030 0.000 0.635 160 A CB -0.421 18.591 19.000 0.021 0.000 0.810 160 A HN 0.677 nan 8.150 nan 0.000 0.445 161 S N -1.702 114.024 115.700 0.042 0.000 2.483 161 S HA -0.039 4.436 4.470 0.009 0.000 0.221 161 S C 1.677 176.306 174.600 0.048 0.000 1.030 161 S CA 1.266 59.490 58.200 0.042 0.000 0.925 161 S CB -0.476 62.749 63.200 0.043 0.000 0.795 161 S HN 0.703 nan 8.310 nan 0.000 0.511 162 T N -3.547 111.044 114.554 0.061 0.000 2.969 162 T HA 0.561 4.917 4.350 0.009 0.000 0.250 162 T C 1.663 176.394 174.700 0.053 0.000 1.021 162 T CA 0.842 62.981 62.100 0.064 0.000 1.003 162 T CB 0.205 69.128 68.868 0.093 0.000 1.040 162 T HN 1.157 nan 8.240 nan 0.000 0.492 163 G N 0.294 109.127 108.800 0.054 0.000 2.213 163 G HA2 -0.157 3.808 3.960 0.009 0.000 0.226 163 G HA3 -0.157 3.808 3.960 0.009 0.000 0.226 163 G C 0.209 175.137 174.900 0.048 0.000 0.992 163 G CA 0.450 45.576 45.100 0.042 0.000 0.632 163 G HN 0.964 nan 8.290 nan 0.000 0.511 164 T N -1.118 113.470 114.554 0.056 0.000 2.654 164 T HA 0.754 5.110 4.350 0.009 0.000 0.289 164 T C -1.170 173.607 174.700 0.128 0.000 1.062 164 T CA 0.402 62.526 62.100 0.039 0.000 1.041 164 T CB 1.534 70.333 68.868 -0.115 0.000 1.417 164 T HN 1.489 nan 8.240 nan 0.000 0.510 165 Y N -0.948 119.264 120.300 -0.148 0.000 2.705 165 Y HA 0.823 5.378 4.550 0.008 0.000 0.332 165 Y C -1.481 174.249 175.900 -0.283 0.000 1.221 165 Y CA -1.211 56.842 58.100 -0.078 0.000 1.059 165 Y CB 0.839 39.309 38.460 0.016 0.000 1.298 165 Y HN 0.760 nan 8.280 nan 0.000 0.459 166 H N 0.616 119.714 119.070 0.047 0.000 2.679 166 H HA 0.660 5.222 4.556 0.009 0.000 0.367 166 H C -1.049 174.331 175.328 0.086 0.000 1.162 166 H CA -0.855 55.163 56.048 -0.049 0.000 1.181 166 H CB 1.998 31.770 29.762 0.017 0.000 1.693 166 H HN 0.686 nan 8.280 nan 0.000 0.538 167 L N 2.141 123.452 121.223 0.148 0.000 2.357 167 L HA 0.467 4.813 4.340 0.009 0.000 0.273 167 L C 0.615 177.562 176.870 0.128 0.000 1.080 167 L CA -0.761 54.184 54.840 0.175 0.000 0.803 167 L CB 0.887 43.017 42.059 0.119 0.000 1.174 167 L HN 0.436 nan 8.230 nan 0.000 0.443 168 R N 1.082 121.633 120.500 0.086 0.000 2.707 168 R HA 0.036 4.381 4.340 0.009 0.000 0.270 168 R C 1.042 177.339 176.300 -0.006 0.000 1.083 168 R CA -0.428 55.689 56.100 0.028 0.000 1.182 168 R CB 0.774 31.064 30.300 -0.017 0.000 1.084 168 R HN 0.680 nan 8.270 nan 0.000 0.528 169 E N 1.033 121.228 120.200 -0.009 0.000 2.033 169 E HA -0.246 4.109 4.350 0.009 0.000 0.199 169 E C 1.633 178.217 176.600 -0.025 0.000 1.011 169 E CA 2.344 58.733 56.400 -0.019 0.000 0.815 169 E CB 0.011 29.704 29.700 -0.011 0.000 0.755 169 E HN 0.679 nan 8.360 nan 0.000 0.451 170 S N 0.295 115.978 115.700 -0.028 0.000 2.419 170 S HA -0.185 4.290 4.470 0.009 0.000 0.235 170 S C 1.678 176.263 174.600 -0.025 0.000 1.019 170 S CA 1.378 59.582 58.200 0.007 0.000 0.982 170 S CB -0.378 62.855 63.200 0.054 0.000 0.789 170 S HN 0.349 nan 8.310 nan 0.000 0.490 171 E N 0.803 120.876 120.200 -0.211 0.000 2.107 171 E HA -0.014 4.342 4.350 0.009 0.000 0.191 171 E C 2.004 178.733 176.600 0.215 0.000 0.982 171 E CA 0.899 57.208 56.400 -0.152 0.000 0.809 171 E CB -0.308 29.306 29.700 -0.144 0.000 0.756 171 E HN 0.438 nan 8.360 nan 0.000 0.459 172 L N 1.009 122.262 121.223 0.050 0.000 2.027 172 L HA -0.137 4.208 4.340 0.009 0.000 0.206 172 L C 2.233 179.083 176.870 -0.034 0.000 1.074 172 L CA 1.338 56.144 54.840 -0.056 0.000 0.745 172 L CB -0.346 41.628 42.059 -0.142 0.000 0.898 172 L HN -0.085 nan 8.230 nan 0.000 0.433 173 V N -0.267 119.658 119.914 0.018 0.000 2.287 173 V HA -0.330 3.796 4.120 0.009 0.000 0.248 173 V C 2.361 178.533 176.094 0.131 0.000 1.053 173 V CA 2.231 64.552 62.300 0.036 0.000 1.027 173 V CB -1.026 30.825 31.823 0.047 0.000 0.646 173 V HN 0.575 nan 8.190 nan 0.000 0.447 174 F N 2.150 122.171 119.950 0.119 0.000 2.095 174 F HA -0.069 4.462 4.527 0.007 0.000 0.298 174 F C 2.183 178.110 175.800 0.212 0.000 1.104 174 F CA 1.849 59.973 58.000 0.207 0.000 1.232 174 F CB -0.992 38.205 39.000 0.329 0.000 0.987 174 F HN 0.121 nan 8.300 nan 0.000 0.475 175 G N -0.341 108.493 108.800 0.057 0.000 2.408 175 G HA2 -0.167 3.798 3.960 0.009 0.000 0.217 175 G HA3 -0.167 3.798 3.960 0.009 0.000 0.217 175 G C 1.814 176.553 174.900 -0.270 0.000 1.150 175 G CA 0.801 45.809 45.100 -0.154 0.000 0.776 175 G HN 0.664 nan 8.290 nan 0.000 0.542 176 A N 1.013 123.716 122.820 -0.195 0.000 1.877 176 A HA -0.026 4.299 4.320 0.009 0.000 0.216 176 A C 2.308 179.867 177.584 -0.042 0.000 1.186 176 A CA 1.984 53.917 52.037 -0.174 0.000 0.620 176 A CB -0.369 18.565 19.000 -0.111 0.000 0.822 176 A HN 0.376 nan 8.150 nan 0.000 0.443 177 K N -0.800 119.618 120.400 0.029 0.000 2.057 177 K HA -0.139 4.186 4.320 0.009 0.000 0.207 177 K C 2.318 178.970 176.600 0.087 0.000 1.049 177 K CA 1.315 57.728 56.287 0.212 0.000 0.931 177 K CB -0.159 32.514 32.500 0.287 0.000 0.714 177 K HN 0.387 nan 8.250 nan 0.000 0.440 178 Q N 0.292 119.956 119.800 -0.227 0.000 2.084 178 Q HA -0.112 4.234 4.340 0.009 0.000 0.202 178 Q C 2.222 178.069 176.000 -0.254 0.000 0.978 178 Q CA 1.612 57.192 55.803 -0.373 0.000 0.844 178 Q CB -0.338 28.055 28.738 -0.575 0.000 0.898 178 Q HN 0.338 nan 8.270 nan 0.000 0.426 179 A N 0.228 122.888 122.820 -0.266 0.000 1.908 179 A HA -0.195 4.131 4.320 0.009 0.000 0.218 179 A C 1.823 179.400 177.584 -0.012 0.000 1.181 179 A CA 1.491 53.314 52.037 -0.357 0.000 0.627 179 A CB -0.954 17.490 19.000 -0.926 0.000 0.818 179 A HN 0.545 nan 8.150 nan 0.000 0.445 180 W N 0.843 122.133 121.300 -0.018 0.000 2.379 180 W HA -0.099 4.565 4.660 0.007 0.000 0.307 180 W C 2.349 178.840 176.519 -0.047 0.000 1.200 180 W CA 1.458 58.851 57.345 0.081 0.000 1.297 180 W CB -0.774 28.729 29.460 0.073 0.000 1.140 180 W HN 0.367 nan 8.180 nan 0.000 0.507 181 R N 0.376 120.832 120.500 -0.073 0.000 2.117 181 R HA -0.214 4.132 4.340 0.009 0.000 0.243 181 R C 1.560 177.710 176.300 -0.250 0.000 1.143 181 R CA 1.942 57.789 56.100 -0.422 0.000 0.968 181 R CB -0.578 29.203 30.300 -0.865 0.000 0.863 181 R HN 0.108 nan 8.270 nan 0.000 0.444 182 N N 0.204 118.805 118.700 -0.164 0.000 2.467 182 N HA 0.021 4.767 4.740 0.009 0.000 0.184 182 N C -0.337 175.123 175.510 -0.083 0.000 1.106 182 N CA 0.679 53.650 53.050 -0.131 0.000 0.892 182 N CB 0.339 38.745 38.487 -0.134 0.000 0.969 182 N HN 0.183 nan 8.380 nan 0.000 0.454 183 A N 2.013 124.834 122.820 0.001 0.000 2.473 183 A HA 0.209 4.534 4.320 0.009 0.000 0.282 183 A C -1.237 176.320 177.584 -0.045 0.000 1.163 183 A CA -0.894 51.142 52.037 -0.001 0.000 0.827 183 A CB 0.241 19.292 19.000 0.084 0.000 1.098 183 A HN 0.023 nan 8.150 nan 0.000 0.515 184 P HA -0.132 nan 4.420 nan 0.000 0.219 184 P C 1.141 178.377 177.300 -0.107 0.000 1.146 184 P CA 1.203 64.232 63.100 -0.119 0.000 0.808 184 P CB 0.160 31.757 31.700 -0.172 0.000 0.779 185 R N -2.317 118.083 120.500 -0.167 0.000 2.300 185 R HA 0.143 4.488 4.340 0.009 0.000 0.199 185 R C 0.336 176.624 176.300 -0.022 0.000 0.920 185 R CA -0.120 55.894 56.100 -0.144 0.000 1.046 185 R CB -0.368 29.641 30.300 -0.485 0.000 0.984 185 R HN 0.176 nan 8.270 nan 0.000 0.493 186 C N 0.733 120.016 119.300 -0.028 0.000 2.325 186 C HA 0.209 4.674 4.460 0.009 0.000 0.347 186 C C 1.832 176.778 174.990 -0.073 0.000 1.263 186 C CA -0.603 58.426 59.018 0.018 0.000 1.806 186 C CB 0.544 28.367 27.740 0.138 0.000 2.405 186 C HN 0.268 nan 8.230 nan 0.000 0.537 187 V N 6.124 125.952 119.914 -0.144 0.000 3.541 187 V HA 0.232 4.357 4.120 0.009 0.000 0.267 187 V C 1.731 177.836 176.094 0.019 0.000 1.213 187 V CA 1.865 63.976 62.300 -0.315 0.000 1.149 187 V CB -0.083 31.557 31.823 -0.306 0.000 0.822 187 V HN 1.076 nan 8.190 nan 0.000 0.462 188 G N -0.578 108.269 108.800 0.079 0.000 3.371 188 G HA2 0.042 4.007 3.960 0.009 0.000 0.248 188 G HA3 0.042 4.007 3.960 0.009 0.000 0.248 188 G C 1.238 176.166 174.900 0.047 0.000 1.161 188 G CA -0.321 44.842 45.100 0.105 0.000 0.796 188 G HN 0.434 nan 8.290 nan 0.000 0.539 189 R N -0.142 120.308 120.500 -0.083 0.000 2.341 189 R HA 0.074 4.420 4.340 0.009 0.000 0.213 189 R C 2.024 177.927 176.300 -0.661 0.000 1.082 189 R CA 0.253 56.021 56.100 -0.553 0.000 1.017 189 R CB -0.199 29.723 30.300 -0.629 0.000 0.860 189 R HN 0.458 nan 8.270 nan 0.000 0.473 190 I N 0.921 121.285 120.570 -0.343 0.000 2.700 190 I HA -0.254 3.921 4.170 0.009 0.000 0.261 190 I C 1.239 177.282 176.117 -0.124 0.000 1.219 190 I CA 1.312 62.562 61.300 -0.083 0.000 1.463 190 I CB 0.154 38.192 38.000 0.064 0.000 1.092 190 I HN 0.221 nan 8.210 nan 0.000 0.452 191 Q N 0.401 120.052 119.800 -0.248 0.000 2.360 191 Q HA -0.084 4.261 4.340 0.009 0.000 0.202 191 Q C 1.632 177.203 176.000 -0.714 0.000 0.915 191 Q CA 0.337 55.967 55.803 -0.289 0.000 0.943 191 Q CB -0.174 28.541 28.738 -0.039 0.000 1.064 191 Q HN 0.785 nan 8.270 nan 0.000 0.511 192 W N 0.505 121.107 121.300 -1.163 0.000 2.292 192 W HA -0.190 4.477 4.660 0.012 0.000 0.304 192 W C 1.186 177.392 176.519 -0.521 0.000 1.228 192 W CA 1.366 57.889 57.345 -1.371 0.000 1.241 192 W CB -1.398 27.476 29.460 -0.977 0.000 1.142 192 W HN 0.091 nan 8.180 nan 0.000 0.520 193 G N 1.127 109.068 108.800 -1.432 0.000 2.598 193 G HA2 -0.177 3.788 3.960 0.009 0.000 0.215 193 G HA3 -0.177 3.788 3.960 0.009 0.000 0.215 193 G C 0.815 175.436 174.900 -0.465 0.000 1.131 193 G CA 0.137 44.520 45.100 -1.196 0.000 0.785 193 G HN 0.283 nan 8.290 nan 0.000 0.539 194 K N 0.153 120.387 120.400 -0.277 0.000 2.423 194 K HA 0.525 4.850 4.320 0.009 0.000 0.234 194 K C -1.646 175.038 176.600 0.140 0.000 1.051 194 K CA -0.692 55.564 56.287 -0.052 0.000 1.021 194 K CB 0.365 32.858 32.500 -0.011 0.000 1.474 194 K HN 0.060 nan 8.250 nan 0.000 0.474 195 L N 3.040 124.335 121.223 0.120 0.000 2.476 195 L HA 0.334 4.679 4.340 0.009 0.000 0.269 195 L C -1.300 175.565 176.870 -0.010 0.000 0.965 195 L CA -0.409 54.527 54.840 0.160 0.000 0.845 195 L CB 1.912 44.155 42.059 0.307 0.000 1.259 195 L HN 0.444 nan 8.230 nan 0.000 0.403 196 Q N 3.377 123.124 119.800 -0.088 0.000 2.307 196 Q HA 0.451 4.796 4.340 0.009 0.000 0.259 196 Q C -1.490 174.199 176.000 -0.519 0.000 0.998 196 Q CA 0.037 55.625 55.803 -0.358 0.000 0.923 196 Q CB 1.045 29.493 28.738 -0.483 0.000 1.196 196 Q HN 0.510 nan 8.270 nan 0.000 0.416 197 V N 6.680 126.306 119.914 -0.481 0.000 2.311 197 V HA 0.326 4.452 4.120 0.009 0.000 0.275 197 V C -0.618 175.198 176.094 -0.463 0.000 1.022 197 V CA -0.556 61.516 62.300 -0.380 0.000 0.830 197 V CB -0.118 31.584 31.823 -0.202 0.000 1.012 197 V HN 0.628 nan 8.190 nan 0.000 0.452 198 F N 2.778 122.587 119.950 -0.235 0.000 2.421 198 F HA 0.324 4.853 4.527 0.004 0.000 0.358 198 F C 0.750 176.368 175.800 -0.304 0.000 1.115 198 F CA -0.597 57.250 58.000 -0.255 0.000 1.160 198 F CB 0.561 39.405 39.000 -0.261 0.000 1.123 198 F HN 0.396 nan 8.300 nan 0.000 0.508 199 D N 2.927 123.278 120.400 -0.083 0.000 2.312 199 D HA 0.435 5.081 4.640 0.009 0.000 0.252 199 D C -0.094 176.018 176.300 -0.314 0.000 1.150 199 D CA 0.103 53.994 54.000 -0.182 0.000 0.870 199 D CB 1.402 42.139 40.800 -0.105 0.000 1.153 199 D HN 0.646 nan 8.370 nan 0.000 0.457 200 A N 4.528 127.035 122.820 -0.522 0.000 2.610 200 A HA 0.157 4.482 4.320 0.009 0.000 0.290 200 A C 1.253 178.585 177.584 -0.420 0.000 1.001 200 A CA -0.401 51.124 52.037 -0.854 0.000 1.004 200 A CB 0.124 18.101 19.000 -1.706 0.000 1.220 200 A HN 0.556 nan 8.150 nan 0.000 0.507 201 R N 0.617 120.991 120.500 -0.210 0.000 2.339 201 R HA -0.043 4.302 4.340 0.009 0.000 0.199 201 R C 0.615 176.901 176.300 -0.023 0.000 1.018 201 R CA 1.116 57.167 56.100 -0.080 0.000 1.036 201 R CB 0.094 30.402 30.300 0.013 0.000 0.899 201 R HN 0.666 nan 8.270 nan 0.000 0.473 202 D N -0.953 119.451 120.400 0.007 0.000 2.389 202 D HA -0.061 4.584 4.640 0.009 0.000 0.206 202 D C 0.468 176.856 176.300 0.147 0.000 1.055 202 D CA -0.329 53.720 54.000 0.082 0.000 0.856 202 D CB -0.543 40.321 40.800 0.107 0.000 0.957 202 D HN -0.035 nan 8.370 nan 0.000 0.509 203 C N 2.093 121.491 119.300 0.163 0.000 2.437 203 C HA 0.244 4.709 4.460 0.009 0.000 0.399 203 C C 1.724 176.904 174.990 0.317 0.000 1.478 203 C CA 0.888 60.078 59.018 0.287 0.000 1.538 203 C CB -0.866 27.068 27.740 0.324 0.000 2.506 203 C HN 0.489 nan 8.230 nan 0.000 0.603 204 S N 2.597 118.497 115.700 0.334 0.000 2.780 204 S HA 0.313 4.789 4.470 0.009 0.000 0.248 204 S C 0.007 174.761 174.600 0.257 0.000 1.036 204 S CA 0.280 58.679 58.200 0.331 0.000 1.061 204 S CB -0.109 63.213 63.200 0.204 0.000 1.037 204 S HN 1.314 nan 8.310 nan 0.000 0.584 205 S N -0.379 115.479 115.700 0.265 0.000 2.570 205 S HA 0.799 5.274 4.470 0.009 0.000 0.270 205 S C 0.815 175.501 174.600 0.143 0.000 1.149 205 S CA -0.275 58.018 58.200 0.155 0.000 0.837 205 S CB 1.032 64.304 63.200 0.120 0.000 1.124 205 S HN 0.514 nan 8.310 nan 0.000 0.465 206 A N 0.977 123.853 122.820 0.093 0.000 1.933 206 A HA -0.085 4.241 4.320 0.009 0.000 0.218 206 A C 2.106 179.691 177.584 0.001 0.000 1.175 206 A CA 2.215 54.302 52.037 0.084 0.000 0.628 206 A CB -1.182 17.929 19.000 0.184 0.000 0.814 206 A HN 0.922 nan 8.150 nan 0.000 0.444 207 Q N 0.104 119.987 119.800 0.137 0.000 2.084 207 Q HA -0.178 4.167 4.340 0.009 0.000 0.202 207 Q C 1.898 177.892 176.000 -0.009 0.000 0.978 207 Q CA 2.275 58.128 55.803 0.083 0.000 0.844 207 Q CB -0.358 28.500 28.738 0.199 0.000 0.898 207 Q HN 0.746 nan 8.270 nan 0.000 0.426 208 E N -0.800 119.436 120.200 0.060 0.000 2.106 208 E HA -0.162 4.193 4.350 0.009 0.000 0.192 208 E C 1.926 178.608 176.600 0.136 0.000 0.984 208 E CA 1.106 57.553 56.400 0.079 0.000 0.806 208 E CB -0.087 29.709 29.700 0.160 0.000 0.750 208 E HN 0.451 nan 8.360 nan 0.000 0.458 209 M N -0.213 119.449 119.600 0.103 0.000 2.106 209 M HA -0.196 4.290 4.480 0.009 0.000 0.259 209 M C 2.141 178.451 176.300 0.018 0.000 1.068 209 M CA 1.551 56.861 55.300 0.017 0.000 1.100 209 M CB -0.380 32.052 32.600 -0.279 0.000 1.351 209 M HN 0.216 nan 8.290 nan 0.000 0.404 210 F N 0.806 120.521 119.950 -0.392 0.000 2.171 210 F HA -0.234 4.300 4.527 0.011 0.000 0.300 210 F C 2.232 177.908 175.800 -0.207 0.000 1.090 210 F CA 1.762 59.480 58.000 -0.470 0.000 1.293 210 F CB -0.136 38.243 39.000 -1.035 0.000 1.013 210 F HN 0.072 nan 8.300 nan 0.000 0.486 211 T N -0.570 113.849 114.554 -0.224 0.000 2.737 211 T HA -0.227 4.128 4.350 0.009 0.000 0.265 211 T C 1.604 176.148 174.700 -0.260 0.000 1.038 211 T CA 1.787 63.711 62.100 -0.294 0.000 1.144 211 T CB -0.877 67.849 68.868 -0.236 0.000 0.866 211 T HN 0.353 nan 8.240 nan 0.000 0.434 212 Y N 1.091 121.336 120.300 -0.090 0.000 2.114 212 Y HA -0.131 4.423 4.550 0.007 0.000 0.282 212 Y C 2.376 178.209 175.900 -0.112 0.000 1.165 212 Y CA 0.947 59.002 58.100 -0.076 0.000 1.148 212 Y CB -0.411 38.109 38.460 0.100 0.000 0.972 212 Y HN 0.143 nan 8.280 nan 0.000 0.504 213 I N -1.399 119.239 120.570 0.113 0.000 2.226 213 I HA -0.373 3.802 4.170 0.009 0.000 0.245 213 I C 2.328 178.353 176.117 -0.153 0.000 1.100 213 I CA 1.012 62.304 61.300 -0.012 0.000 1.374 213 I CB -0.525 37.450 38.000 -0.041 0.000 1.057 213 I HN 0.348 nan 8.210 nan 0.000 0.413 214 C N 0.632 119.727 119.300 -0.341 0.000 2.425 214 C HA -0.118 4.348 4.460 0.009 0.000 0.277 214 C C 2.621 177.500 174.990 -0.185 0.000 1.280 214 C CA 0.735 59.546 59.018 -0.344 0.000 1.744 214 C CB -1.386 26.032 27.740 -0.536 0.000 1.989 214 C HN 0.544 nan 8.230 nan 0.000 0.491 215 N N -0.053 118.532 118.700 -0.191 0.000 2.188 215 N HA -0.135 4.611 4.740 0.009 0.000 0.184 215 N C 1.450 176.860 175.510 -0.167 0.000 1.018 215 N CA 1.368 54.305 53.050 -0.190 0.000 0.858 215 N CB -0.755 37.566 38.487 -0.277 0.000 0.989 215 N HN 0.755 nan 8.380 nan 0.000 0.426 216 H N 0.657 119.560 119.070 -0.278 0.000 2.293 216 H HA 0.039 4.601 4.556 0.011 0.000 0.300 216 H C 2.142 177.477 175.328 0.012 0.000 1.082 216 H CA 1.597 57.540 56.048 -0.174 0.000 1.308 216 H CB -0.052 29.654 29.762 -0.094 0.000 1.375 216 H HN 0.080 nan 8.280 nan 0.000 0.495 217 I N 0.744 121.444 120.570 0.216 0.000 2.208 217 I HA -0.276 3.899 4.170 0.009 0.000 0.245 217 I C 2.392 178.578 176.117 0.115 0.000 1.097 217 I CA 1.358 62.746 61.300 0.147 0.000 1.363 217 I CB -0.269 37.735 38.000 0.006 0.000 1.051 217 I HN 0.341 nan 8.210 nan 0.000 0.413 218 K N 0.052 120.491 120.400 0.065 0.000 2.026 218 K HA -0.236 4.089 4.320 0.009 0.000 0.208 218 K C 2.251 178.909 176.600 0.096 0.000 1.048 218 K CA 1.818 58.136 56.287 0.052 0.000 0.929 218 K CB -0.469 32.041 32.500 0.016 0.000 0.713 218 K HN 0.279 nan 8.250 nan 0.000 0.439 219 Y N 1.456 121.770 120.300 0.024 0.000 2.163 219 Y HA -0.219 4.333 4.550 0.003 0.000 0.288 219 Y C 2.276 178.239 175.900 0.105 0.000 1.136 219 Y CA 1.539 59.687 58.100 0.081 0.000 1.147 219 Y CB -0.317 38.244 38.460 0.167 0.000 0.987 219 Y HN 0.054 nan 8.280 nan 0.000 0.509 220 A N -0.636 122.332 122.820 0.246 0.000 1.902 220 A HA -0.176 4.150 4.320 0.009 0.000 0.217 220 A C 2.202 179.840 177.584 0.091 0.000 1.181 220 A CA 2.296 54.439 52.037 0.177 0.000 0.623 220 A CB -1.331 17.849 19.000 0.299 0.000 0.818 220 A HN 0.519 nan 8.150 nan 0.000 0.443 221 T N -0.236 114.373 114.554 0.093 0.000 2.777 221 T HA -0.114 4.241 4.350 0.009 0.000 0.266 221 T C 1.118 175.826 174.700 0.013 0.000 1.040 221 T CA 1.256 63.399 62.100 0.071 0.000 1.141 221 T CB -0.443 68.464 68.868 0.065 0.000 0.868 221 T HN 0.665 nan 8.240 nan 0.000 0.444 222 N N 1.170 119.850 118.700 -0.034 0.000 2.707 222 N HA -0.265 4.480 4.740 0.009 0.000 0.253 222 N C -0.233 175.250 175.510 -0.045 0.000 0.998 222 N CA 0.552 53.556 53.050 -0.077 0.000 0.751 222 N CB -1.310 37.082 38.487 -0.158 0.000 0.920 222 N HN 0.483 nan 8.380 nan 0.000 0.539 223 R N -2.401 118.086 120.500 -0.022 0.000 3.641 223 R HA -0.221 4.124 4.340 0.009 0.000 0.286 223 R C 1.293 177.579 176.300 -0.024 0.000 1.153 223 R CA 1.142 57.230 56.100 -0.020 0.000 0.775 223 R CB -1.925 28.360 30.300 -0.025 0.000 1.215 223 R HN 0.971 nan 8.270 nan 0.000 0.474 224 G N -0.341 108.452 108.800 -0.011 0.000 2.307 224 G HA2 -0.307 3.658 3.960 0.009 0.000 0.210 224 G HA3 -0.307 3.658 3.960 0.009 0.000 0.210 224 G C -0.039 174.850 174.900 -0.019 0.000 1.005 224 G CA 0.027 45.119 45.100 -0.013 0.000 0.634 224 G HN 0.346 nan 8.290 nan 0.000 0.496 225 N N 1.648 120.324 118.700 -0.040 0.000 3.034 225 N HA 0.466 5.211 4.740 0.009 0.000 0.265 225 N C 0.365 175.847 175.510 -0.047 0.000 1.166 225 N CA -0.406 52.603 53.050 -0.068 0.000 1.081 225 N CB -0.346 38.096 38.487 -0.076 0.000 1.378 225 N HN 0.259 nan 8.380 nan 0.000 0.520 226 L N 1.914 123.140 121.223 0.005 0.000 2.543 226 L HA 0.074 4.419 4.340 0.009 0.000 0.285 226 L C 0.909 177.895 176.870 0.193 0.000 1.236 226 L CA 0.982 55.895 54.840 0.123 0.000 0.871 226 L CB 0.185 42.407 42.059 0.271 0.000 1.121 226 L HN 0.297 nan 8.230 nan 0.000 0.501 227 R N 1.381 121.993 120.500 0.186 0.000 2.575 227 R HA 0.441 4.787 4.340 0.009 0.000 0.293 227 R C -0.676 175.771 176.300 0.244 0.000 0.983 227 R CA -0.679 55.548 56.100 0.211 0.000 0.887 227 R CB 1.708 31.990 30.300 -0.030 0.000 1.184 227 R HN 0.585 nan 8.270 nan 0.000 0.445 228 S N 1.465 117.310 115.700 0.242 0.000 2.562 228 S HA 0.475 4.950 4.470 0.009 0.000 0.281 228 S C -0.185 174.461 174.600 0.077 0.000 1.333 228 S CA -0.179 58.065 58.200 0.073 0.000 1.052 228 S CB 1.198 64.395 63.200 -0.005 0.000 0.884 228 S HN 0.716 nan 8.310 nan 0.000 0.506 229 A N 2.388 125.214 122.820 0.009 0.000 2.601 229 A HA 0.812 5.137 4.320 0.009 0.000 0.291 229 A C -1.365 176.228 177.584 0.015 0.000 1.075 229 A CA -0.672 51.325 52.037 -0.067 0.000 0.671 229 A CB 1.145 20.080 19.000 -0.109 0.000 1.277 229 A HN 0.806 nan 8.150 nan 0.000 0.417 230 I N 0.316 120.893 120.570 0.012 0.000 2.752 230 I HA 0.632 4.807 4.170 0.009 0.000 0.295 230 I C -1.266 174.939 176.117 0.146 0.000 1.219 230 I CA -0.129 61.287 61.300 0.192 0.000 1.030 230 I CB 2.404 40.484 38.000 0.133 0.000 1.259 230 I HN 0.607 nan 8.210 nan 0.000 0.423 231 T N 6.308 120.968 114.554 0.178 0.000 2.786 231 T HA 0.441 4.797 4.350 0.009 0.000 0.283 231 T C -0.719 173.765 174.700 -0.359 0.000 0.992 231 T CA -0.343 61.700 62.100 -0.096 0.000 0.954 231 T CB 1.510 70.295 68.868 -0.137 0.000 0.934 231 T HN 0.267 nan 8.240 nan 0.000 0.440 232 V N 5.266 124.910 119.914 -0.449 0.000 2.333 232 V HA 0.461 4.586 4.120 0.009 0.000 0.274 232 V C -0.400 175.392 176.094 -0.503 0.000 1.028 232 V CA -0.732 61.324 62.300 -0.408 0.000 0.851 232 V CB -0.043 31.518 31.823 -0.437 0.000 1.000 232 V HN 0.707 nan 8.190 nan 0.000 0.456 233 F N 5.307 125.181 119.950 -0.126 0.000 2.380 233 F HA 0.510 5.043 4.527 0.010 0.000 0.319 233 F C -1.796 173.881 175.800 -0.205 0.000 1.113 233 F CA -2.535 55.293 58.000 -0.286 0.000 1.056 233 F CB 0.259 39.067 39.000 -0.320 0.000 1.289 233 F HN 0.294 nan 8.300 nan 0.000 0.515 234 P HA -0.043 nan 4.420 nan 0.000 0.263 234 P C -0.977 176.299 177.300 -0.039 0.000 1.175 234 P CA 0.046 63.043 63.100 -0.171 0.000 0.761 234 P CB 0.169 31.676 31.700 -0.323 0.000 0.794 235 Q N 3.384 123.075 119.800 -0.182 0.000 2.492 235 Q HA 0.171 4.516 4.340 0.009 0.000 0.238 235 Q C -0.253 175.615 176.000 -0.220 0.000 1.045 235 Q CA -0.463 55.014 55.803 -0.543 0.000 0.934 235 Q CB 0.537 28.664 28.738 -1.018 0.000 1.276 235 Q HN 0.326 nan 8.270 nan 0.000 0.521 236 R N 0.269 120.632 120.500 -0.228 0.000 2.484 236 R HA 0.268 4.614 4.340 0.009 0.000 0.293 236 R C -0.592 175.647 176.300 -0.102 0.000 1.023 236 R CA 0.350 56.393 56.100 -0.094 0.000 1.037 236 R CB 0.364 30.607 30.300 -0.095 0.000 0.951 236 R HN 0.660 nan 8.270 nan 0.000 0.418 237 A N 5.355 128.158 122.820 -0.027 0.000 2.340 237 A HA 0.541 4.866 4.320 0.009 0.000 0.331 237 A C -2.323 175.254 177.584 -0.012 0.000 1.140 237 A CA -2.023 50.002 52.037 -0.020 0.000 0.801 237 A CB 1.016 20.035 19.000 0.033 0.000 1.234 237 A HN 0.423 nan 8.150 nan 0.000 0.469 238 P HA 0.323 nan 4.420 nan 0.000 0.267 238 P C 0.712 178.016 177.300 0.007 0.000 1.209 238 P CA 1.677 64.774 63.100 -0.005 0.000 0.763 238 P CB 0.638 32.337 31.700 -0.001 0.000 0.816 239 G N 2.282 111.085 108.800 0.005 0.000 2.314 239 G HA2 -0.227 3.738 3.960 0.009 0.000 0.292 239 G HA3 -0.227 3.738 3.960 0.009 0.000 0.292 239 G C -0.061 174.845 174.900 0.011 0.000 1.059 239 G CA -0.225 44.880 45.100 0.009 0.000 0.982 239 G HN 0.754 nan 8.290 nan 0.000 0.505 240 R N -0.506 119.999 120.500 0.009 0.000 2.633 240 R HA 0.499 4.844 4.340 0.009 0.000 0.255 240 R C 0.592 176.892 176.300 -0.000 0.000 1.106 240 R CA 0.011 56.115 56.100 0.007 0.000 0.959 240 R CB 0.584 30.898 30.300 0.023 0.000 1.259 240 R HN 0.896 nan 8.270 nan 0.000 0.453 241 G N 1.949 110.739 108.800 -0.018 0.000 2.664 241 G HA2 0.097 4.062 3.960 0.009 0.000 0.242 241 G HA3 0.097 4.062 3.960 0.009 0.000 0.242 241 G C -0.393 174.491 174.900 -0.027 0.000 1.225 241 G CA -0.209 44.877 45.100 -0.023 0.000 0.849 241 G HN 0.567 nan 8.290 nan 0.000 0.581 242 D N -0.657 119.745 120.400 0.003 0.000 2.312 242 D HA 0.356 5.001 4.640 0.009 0.000 0.248 242 D C -0.280 176.044 176.300 0.040 0.000 1.086 242 D CA 0.010 54.046 54.000 0.061 0.000 0.948 242 D CB 0.900 41.743 40.800 0.072 0.000 1.162 242 D HN 0.114 nan 8.370 nan 0.000 0.446 243 F N 1.157 121.131 119.950 0.041 0.000 2.420 243 F HA 0.352 4.885 4.527 0.010 0.000 0.352 243 F C 0.891 176.719 175.800 0.047 0.000 1.108 243 F CA -0.084 57.929 58.000 0.022 0.000 1.162 243 F CB 0.714 39.721 39.000 0.012 0.000 1.118 243 F HN -0.212 nan 8.300 nan 0.000 0.510 244 R N 4.071 124.694 120.500 0.205 0.000 2.651 244 R HA 0.511 4.856 4.340 0.009 0.000 0.278 244 R C -1.261 175.195 176.300 0.259 0.000 1.010 244 R CA -0.805 55.431 56.100 0.227 0.000 0.896 244 R CB 2.207 32.660 30.300 0.255 0.000 1.211 244 R HN 0.633 nan 8.270 nan 0.000 0.456 245 I N 2.468 123.176 120.570 0.229 0.000 2.328 245 I HA 0.157 4.332 4.170 0.009 0.000 0.287 245 I C 0.518 176.839 176.117 0.339 0.000 1.012 245 I CA -0.484 60.950 61.300 0.223 0.000 1.195 245 I CB 1.130 39.202 38.000 0.120 0.000 1.350 245 I HN 0.522 nan 8.210 nan 0.000 0.464 246 W N 3.568 124.920 121.300 0.086 0.000 2.363 246 W HA -0.128 4.537 4.660 0.008 0.000 0.296 246 W C 1.018 177.668 176.519 0.219 0.000 1.212 246 W CA 0.294 57.764 57.345 0.209 0.000 1.260 246 W CB -0.883 28.704 29.460 0.211 0.000 1.131 246 W HN 0.413 nan 8.180 nan 0.000 0.530 247 N N 0.105 118.989 118.700 0.307 0.000 2.479 247 N HA 0.011 4.756 4.740 0.009 0.000 0.257 247 N C 1.317 176.901 175.510 0.122 0.000 1.232 247 N CA 0.879 54.030 53.050 0.168 0.000 0.920 247 N CB 0.641 39.159 38.487 0.053 0.000 1.105 247 N HN -0.077 nan 8.380 nan 0.000 0.444 248 S N 0.717 116.481 115.700 0.106 0.000 2.406 248 S HA -0.056 4.419 4.470 0.009 0.000 0.228 248 S C 0.340 174.941 174.600 0.001 0.000 1.020 248 S CA 0.717 58.961 58.200 0.072 0.000 0.965 248 S CB 0.037 63.300 63.200 0.105 0.000 0.798 248 S HN 0.656 nan 8.310 nan 0.000 0.488 249 Q N -0.732 119.054 119.800 -0.023 0.000 2.421 249 Q HA 0.502 4.847 4.340 0.009 0.000 0.280 249 Q C 0.237 176.154 176.000 -0.139 0.000 1.085 249 Q CA -0.560 55.188 55.803 -0.093 0.000 0.807 249 Q CB 1.972 30.682 28.738 -0.046 0.000 1.405 249 Q HN 0.118 nan 8.270 nan 0.000 0.419 250 L N 0.151 121.262 121.223 -0.187 0.000 2.131 250 L HA -0.008 4.337 4.340 0.009 0.000 0.210 250 L C 0.418 177.134 176.870 -0.257 0.000 1.092 250 L CA 0.913 55.639 54.840 -0.190 0.000 0.759 250 L CB 0.065 41.998 42.059 -0.210 0.000 0.903 250 L HN 0.268 nan 8.230 nan 0.000 0.435 251 V N 0.905 120.575 119.914 -0.407 0.000 2.409 251 V HA 0.477 4.603 4.120 0.009 0.000 0.291 251 V C -0.253 175.357 176.094 -0.808 0.000 1.020 251 V CA -0.677 61.203 62.300 -0.699 0.000 0.848 251 V CB 1.721 32.899 31.823 -1.076 0.000 0.990 251 V HN 0.166 nan 8.190 nan 0.000 0.430 252 R N 2.902 123.047 120.500 -0.593 0.000 2.626 252 R HA 0.480 4.825 4.340 0.009 0.000 0.274 252 R C -1.829 174.290 176.300 -0.301 0.000 1.031 252 R CA -0.778 55.108 56.100 -0.356 0.000 0.898 252 R CB 2.427 32.643 30.300 -0.140 0.000 1.222 252 R HN 0.567 nan 8.270 nan 0.000 0.455 253 Y N 0.477 120.784 120.300 0.012 0.000 2.308 253 Y HA 0.422 4.978 4.550 0.009 0.000 0.329 253 Y C 0.974 176.860 175.900 -0.023 0.000 1.111 253 Y CA -0.536 57.588 58.100 0.040 0.000 1.179 253 Y CB 1.266 39.834 38.460 0.180 0.000 1.201 253 Y HN 0.687 nan 8.280 nan 0.000 0.483 254 A N 1.872 124.739 122.820 0.078 0.000 2.466 254 A HA 0.506 4.831 4.320 0.009 0.000 0.238 254 A C 0.636 178.008 177.584 -0.353 0.000 1.074 254 A CA 0.362 52.280 52.037 -0.199 0.000 0.774 254 A CB -0.267 18.543 19.000 -0.318 0.000 1.015 254 A HN 0.957 nan 8.150 nan 0.000 0.498 255 G N 0.744 109.315 108.800 -0.383 0.000 2.728 255 G HA2 0.533 4.498 3.960 0.009 0.000 0.296 255 G HA3 0.533 4.498 3.960 0.009 0.000 0.296 255 G C -0.959 173.790 174.900 -0.252 0.000 1.401 255 G CA -0.295 44.635 45.100 -0.283 0.000 1.007 255 G HN 0.569 nan 8.290 nan 0.000 0.527 256 Y N 1.469 121.789 120.300 0.033 0.000 2.383 256 Y HA 0.381 4.936 4.550 0.009 0.000 0.344 256 Y C 0.990 176.893 175.900 0.005 0.000 0.986 256 Y CA -1.053 57.064 58.100 0.029 0.000 1.175 256 Y CB 1.385 39.859 38.460 0.023 0.000 1.152 256 Y HN 0.487 nan 8.280 nan 0.000 0.511 257 R N 3.723 124.317 120.500 0.157 0.000 2.343 257 R HA 0.062 4.407 4.340 0.009 0.000 0.326 257 R C -0.311 176.032 176.300 0.071 0.000 1.055 257 R CA -0.117 56.033 56.100 0.084 0.000 0.961 257 R CB 0.126 30.463 30.300 0.063 0.000 0.978 257 R HN 0.560 nan 8.270 nan 0.000 0.443 258 Q N 2.323 122.154 119.800 0.052 0.000 2.396 258 Q HA 0.009 4.354 4.340 0.009 0.000 0.221 258 Q C 0.567 176.577 176.000 0.016 0.000 1.025 258 Q CA -0.306 55.514 55.803 0.029 0.000 0.946 258 Q CB 0.683 29.434 28.738 0.021 0.000 1.224 258 Q HN 0.628 nan 8.270 nan 0.000 0.539 259 Q N 0.958 120.761 119.800 0.004 0.000 2.079 259 Q HA -0.142 4.203 4.340 0.009 0.000 0.200 259 Q C 0.673 176.674 176.000 0.002 0.000 0.974 259 Q CA 1.744 57.548 55.803 0.000 0.000 0.840 259 Q CB -0.167 28.566 28.738 -0.007 0.000 0.898 259 Q HN 0.744 nan 8.270 nan 0.000 0.430 260 D N -1.652 118.749 120.400 0.001 0.000 2.346 260 D HA 0.136 4.781 4.640 0.009 0.000 0.248 260 D C 1.051 177.354 176.300 0.005 0.000 1.173 260 D CA 0.763 54.764 54.000 0.002 0.000 0.878 260 D CB -0.223 40.577 40.800 -0.001 0.000 0.919 260 D HN 0.304 nan 8.370 nan 0.000 0.513 261 G N -0.010 108.795 108.800 0.008 0.000 2.347 261 G HA2 -0.390 3.576 3.960 0.009 0.000 0.247 261 G HA3 -0.390 3.576 3.960 0.009 0.000 0.247 261 G C 0.830 175.737 174.900 0.012 0.000 1.037 261 G CA 0.619 45.725 45.100 0.011 0.000 0.622 261 G HN 0.825 nan 8.290 nan 0.000 0.521 262 S N -0.763 114.943 115.700 0.010 0.000 2.632 262 S HA 0.650 5.125 4.470 0.009 0.000 0.254 262 S C 0.130 174.736 174.600 0.010 0.000 1.291 262 S CA 0.302 58.506 58.200 0.007 0.000 0.974 262 S CB 1.760 64.962 63.200 0.003 0.000 1.016 262 S HN 1.254 nan 8.310 nan 0.000 0.579 263 V N 0.653 120.565 119.914 -0.003 0.000 2.686 263 V HA 0.533 4.658 4.120 0.009 0.000 0.306 263 V C -0.238 175.841 176.094 -0.026 0.000 1.065 263 V CA -0.766 61.530 62.300 -0.006 0.000 0.894 263 V CB 1.724 33.525 31.823 -0.036 0.000 1.004 263 V HN 0.907 nan 8.190 nan 0.000 0.424 264 R N 2.496 123.012 120.500 0.027 0.000 2.294 264 R HA 0.703 5.048 4.340 0.009 0.000 0.319 264 R C 0.615 176.891 176.300 -0.042 0.000 0.984 264 R CA 0.905 57.022 56.100 0.028 0.000 0.861 264 R CB 1.250 31.636 30.300 0.143 0.000 1.104 264 R HN 1.221 nan 8.270 nan 0.000 0.451 265 G N 2.953 111.647 108.800 -0.175 0.000 2.516 265 G HA2 -0.244 3.722 3.960 0.009 0.000 0.220 265 G HA3 -0.244 3.722 3.960 0.009 0.000 0.220 265 G C -1.331 173.244 174.900 -0.541 0.000 1.165 265 G CA -0.044 44.899 45.100 -0.262 0.000 1.013 265 G HN 0.620 nan 8.290 nan 0.000 0.590 266 D N 1.597 121.810 120.400 -0.312 0.000 2.427 266 D HA 0.606 5.251 4.640 0.009 0.000 0.226 266 D C -1.121 175.093 176.300 -0.142 0.000 1.076 266 D CA -2.030 51.789 54.000 -0.301 0.000 0.849 266 D CB 1.622 42.555 40.800 0.222 0.000 1.052 266 D HN -0.022 nan 8.370 nan 0.000 0.515 267 P HA -0.142 nan 4.420 nan 0.000 0.217 267 P C 1.002 178.311 177.300 0.015 0.000 1.148 267 P CA 1.245 64.310 63.100 -0.057 0.000 0.828 267 P CB 0.280 31.953 31.700 -0.044 0.000 0.783 268 A N -0.351 122.499 122.820 0.049 0.000 1.972 268 A HA -0.171 4.154 4.320 0.009 0.000 0.219 268 A C 1.668 179.309 177.584 0.095 0.000 1.169 268 A CA 1.577 53.675 52.037 0.102 0.000 0.635 268 A CB -1.015 18.072 19.000 0.146 0.000 0.810 268 A HN 0.179 nan 8.150 nan 0.000 0.446 269 N N -0.125 118.617 118.700 0.071 0.000 2.279 269 N HA 0.157 4.902 4.740 0.009 0.000 0.226 269 N C 1.090 176.603 175.510 0.005 0.000 1.126 269 N CA 0.197 53.276 53.050 0.048 0.000 0.846 269 N CB 0.570 39.086 38.487 0.048 0.000 1.050 269 N HN 0.231 nan 8.380 nan 0.000 0.502 270 V N 0.964 120.883 119.914 0.009 0.000 2.255 270 V HA -0.258 3.868 4.120 0.009 0.000 0.247 270 V C 2.470 178.563 176.094 -0.003 0.000 1.051 270 V CA 1.894 64.195 62.300 0.001 0.000 1.018 270 V CB -0.321 31.511 31.823 0.015 0.000 0.641 270 V HN 0.390 nan 8.190 nan 0.000 0.445 271 E N -0.123 120.073 120.200 -0.005 0.000 2.051 271 E HA -0.268 4.087 4.350 0.009 0.000 0.192 271 E C 2.103 178.614 176.600 -0.148 0.000 0.991 271 E CA 1.820 58.182 56.400 -0.064 0.000 0.799 271 E CB -0.241 29.439 29.700 -0.033 0.000 0.748 271 E HN 0.473 nan 8.360 nan 0.000 0.449 272 I N 0.776 121.278 120.570 -0.114 0.000 2.493 272 I HA -0.185 3.991 4.170 0.009 0.000 0.254 272 I C 1.952 178.027 176.117 -0.071 0.000 1.160 272 I CA 1.450 62.672 61.300 -0.131 0.000 1.445 272 I CB -0.257 37.726 38.000 -0.027 0.000 1.086 272 I HN 0.123 nan 8.210 nan 0.000 0.433 273 T N 0.225 114.760 114.554 -0.032 0.000 2.857 273 T HA -0.118 4.238 4.350 0.009 0.000 0.266 273 T C 1.659 176.434 174.700 0.124 0.000 1.048 273 T CA 1.506 63.629 62.100 0.038 0.000 1.139 273 T CB -0.219 68.666 68.868 0.028 0.000 0.874 273 T HN 0.469 nan 8.240 nan 0.000 0.455 274 E N 0.702 120.938 120.200 0.061 0.000 2.274 274 E HA 0.056 4.411 4.350 0.009 0.000 0.194 274 E C 2.026 178.655 176.600 0.048 0.000 0.996 274 E CA 0.480 56.919 56.400 0.065 0.000 0.840 274 E CB -0.147 29.565 29.700 0.021 0.000 0.772 274 E HN 0.413 nan 8.360 nan 0.000 0.491 275 L N 0.092 121.316 121.223 0.002 0.000 2.131 275 L HA -0.121 4.224 4.340 0.009 0.000 0.206 275 L C 2.370 179.358 176.870 0.197 0.000 1.087 275 L CA 0.477 55.353 54.840 0.059 0.000 0.767 275 L CB -0.120 41.895 42.059 -0.072 0.000 0.917 275 L HN 0.275 nan 8.230 nan 0.000 0.441 276 C N -0.124 119.249 119.300 0.122 0.000 2.425 276 C HA -0.130 4.335 4.460 0.009 0.000 0.277 276 C C 2.678 177.841 174.990 0.289 0.000 1.280 276 C CA 0.430 59.532 59.018 0.140 0.000 1.744 276 C CB -0.585 27.144 27.740 -0.017 0.000 1.989 276 C HN 0.419 nan 8.230 nan 0.000 0.491 277 I N 0.537 121.283 120.570 0.293 0.000 2.202 277 I HA -0.256 3.919 4.170 0.009 0.000 0.242 277 I C 2.564 178.738 176.117 0.095 0.000 1.091 277 I CA 1.551 62.984 61.300 0.221 0.000 1.368 277 I CB -0.654 37.447 38.000 0.170 0.000 1.058 277 I HN 0.435 nan 8.210 nan 0.000 0.410 278 Q N -0.247 119.578 119.800 0.042 0.000 2.368 278 Q HA -0.213 4.132 4.340 0.009 0.000 0.210 278 Q C 0.936 176.778 176.000 -0.264 0.000 0.982 278 Q CA 1.164 56.904 55.803 -0.106 0.000 0.884 278 Q CB -0.164 28.483 28.738 -0.151 0.000 0.933 278 Q HN 0.648 nan 8.270 nan 0.000 0.460 279 H N -1.732 117.332 119.070 -0.009 0.000 2.505 279 H HA 0.256 4.818 4.556 0.009 0.000 0.286 279 H C 0.737 176.044 175.328 -0.035 0.000 1.072 279 H CA 0.439 56.455 56.048 -0.054 0.000 1.141 279 H CB 1.067 30.754 29.762 -0.125 0.000 1.550 279 H HN 0.333 nan 8.280 nan 0.000 0.547 280 G N -0.201 108.639 108.800 0.067 0.000 2.163 280 G HA2 -0.248 3.717 3.960 0.009 0.000 0.213 280 G HA3 -0.248 3.717 3.960 0.009 0.000 0.213 280 G C -0.248 174.722 174.900 0.117 0.000 0.991 280 G CA -0.257 44.873 45.100 0.049 0.000 0.653 280 G HN 0.334 nan 8.290 nan 0.000 0.518 281 W N 2.216 123.501 121.300 -0.024 0.000 2.272 281 W HA 0.671 5.337 4.660 0.009 0.000 0.318 281 W C 0.166 176.682 176.519 -0.004 0.000 1.255 281 W CA -0.050 57.285 57.345 -0.017 0.000 1.200 281 W CB 1.072 30.533 29.460 0.002 0.000 1.170 281 W HN 0.021 nan 8.180 nan 0.000 0.549 282 T N 9.529 123.698 114.554 -0.642 0.000 2.747 282 T HA 0.203 4.558 4.350 0.009 0.000 0.301 282 T C -2.070 171.852 174.700 -1.296 0.000 0.952 282 T CA -0.937 60.760 62.100 -0.672 0.000 0.983 282 T CB 0.409 69.048 68.868 -0.382 0.000 0.930 282 T HN 0.229 nan 8.240 nan 0.000 0.494 283 P HA 0.259 nan 4.420 nan 0.000 0.270 283 P C 0.367 177.282 177.300 -0.643 0.000 1.223 283 P CA -0.196 62.220 63.100 -1.140 0.000 0.785 283 P CB 0.888 32.320 31.700 -0.447 0.000 0.923 284 G N 0.716 109.307 108.800 -0.348 0.000 2.736 284 G HA2 0.379 4.344 3.960 0.009 0.000 0.229 284 G HA3 0.379 4.344 3.960 0.009 0.000 0.229 284 G C -0.137 174.516 174.900 -0.412 0.000 1.380 284 G CA -0.761 44.236 45.100 -0.172 0.000 1.040 284 G HN 0.771 nan 8.290 nan 0.000 0.568 285 N N -1.375 117.206 118.700 -0.198 0.000 2.527 285 N HA 0.274 5.019 4.740 0.009 0.000 0.279 285 N C 0.235 175.764 175.510 0.031 0.000 1.571 285 N CA -0.496 52.381 53.050 -0.288 0.000 0.858 285 N CB 0.804 39.128 38.487 -0.272 0.000 1.422 285 N HN 0.683 nan 8.380 nan 0.000 0.491 286 G N 0.474 109.409 108.800 0.225 0.000 2.705 286 G HA2 0.330 4.295 3.960 0.009 0.000 0.299 286 G HA3 0.330 4.295 3.960 0.009 0.000 0.299 286 G C 0.481 175.470 174.900 0.148 0.000 1.315 286 G CA -0.686 44.514 45.100 0.166 0.000 1.045 286 G HN 0.134 nan 8.290 nan 0.000 0.517 287 R N -1.295 119.167 120.500 -0.064 0.000 2.189 287 R HA 0.139 4.484 4.340 0.009 0.000 0.203 287 R C 0.037 175.980 176.300 -0.594 0.000 1.012 287 R CA 0.630 56.518 56.100 -0.354 0.000 1.015 287 R CB 0.184 30.096 30.300 -0.646 0.000 0.938 287 R HN 0.410 nan 8.270 nan 0.000 0.472 288 F N 1.287 121.201 119.950 -0.060 0.000 2.739 288 F HA 0.259 4.792 4.527 0.009 0.000 0.345 288 F C -0.605 175.204 175.800 0.015 0.000 1.373 288 F CA -0.998 56.759 58.000 -0.405 0.000 1.160 288 F CB 0.625 39.241 39.000 -0.639 0.000 1.137 288 F HN -0.289 nan 8.300 nan 0.000 0.524 289 D N 1.528 122.122 120.400 0.324 0.000 2.280 289 D HA 0.189 4.835 4.640 0.009 0.000 0.243 289 D C 0.110 176.653 176.300 0.404 0.000 1.129 289 D CA 0.011 54.247 54.000 0.393 0.000 0.848 289 D CB 2.386 43.464 40.800 0.462 0.000 1.107 289 D HN -0.057 nan 8.370 nan 0.000 0.471 290 V N 3.899 124.004 119.914 0.318 0.000 2.479 290 V HA 0.024 4.149 4.120 0.009 0.000 0.281 290 V C 1.016 177.086 176.094 -0.040 0.000 1.031 290 V CA -0.296 62.062 62.300 0.097 0.000 1.038 290 V CB 0.155 31.996 31.823 0.030 0.000 0.981 290 V HN 0.340 nan 8.190 nan 0.000 0.478 291 L N 8.284 129.389 121.223 -0.195 0.000 2.464 291 L HA 0.348 4.693 4.340 0.009 0.000 0.264 291 L C -1.660 174.959 176.870 -0.417 0.000 1.199 291 L CA -1.222 53.348 54.840 -0.449 0.000 0.818 291 L CB 0.757 42.585 42.059 -0.385 0.000 1.102 291 L HN 0.488 nan 8.230 nan 0.000 0.473 292 P HA 0.322 nan 4.420 nan 0.000 0.284 292 P C -1.289 175.867 177.300 -0.240 0.000 1.287 292 P CA -0.627 62.252 63.100 -0.367 0.000 0.824 292 P CB 1.240 32.640 31.700 -0.500 0.000 1.180 293 L N 0.615 121.786 121.223 -0.087 0.000 2.325 293 L HA 0.420 4.765 4.340 0.009 0.000 0.279 293 L C 0.447 177.301 176.870 -0.027 0.000 1.054 293 L CA -0.823 54.008 54.840 -0.015 0.000 0.804 293 L CB 0.724 42.843 42.059 0.099 0.000 1.200 293 L HN 0.207 nan 8.230 nan 0.000 0.436 294 L N 4.882 126.073 121.223 -0.053 0.000 2.321 294 L HA 0.419 4.764 4.340 0.009 0.000 0.272 294 L C -0.547 176.229 176.870 -0.156 0.000 1.050 294 L CA -0.217 54.498 54.840 -0.208 0.000 0.893 294 L CB 0.705 42.563 42.059 -0.334 0.000 1.272 294 L HN 0.438 nan 8.230 nan 0.000 0.435 295 L N 3.549 124.746 121.223 -0.045 0.000 2.292 295 L HA 0.439 4.784 4.340 0.009 0.000 0.284 295 L C -0.036 176.785 176.870 -0.080 0.000 1.065 295 L CA -0.238 54.599 54.840 -0.005 0.000 0.806 295 L CB 1.439 43.526 42.059 0.047 0.000 1.175 295 L HN 0.550 nan 8.230 nan 0.000 0.431 296 Q N 2.948 122.721 119.800 -0.046 0.000 2.339 296 Q HA 0.617 4.963 4.340 0.009 0.000 0.268 296 Q C -0.993 174.938 176.000 -0.115 0.000 1.027 296 Q CA -0.561 55.206 55.803 -0.060 0.000 0.759 296 Q CB 1.897 30.681 28.738 0.078 0.000 1.244 296 Q HN 0.785 nan 8.270 nan 0.000 0.464 297 A N 4.936 127.638 122.820 -0.197 0.000 2.287 297 A HA 0.614 4.939 4.320 0.009 0.000 0.273 297 A C -2.381 174.931 177.584 -0.454 0.000 1.091 297 A CA -1.487 50.267 52.037 -0.472 0.000 0.817 297 A CB 0.002 18.832 19.000 -0.283 0.000 1.069 297 A HN 0.646 nan 8.150 nan 0.000 0.492 298 P HA 0.025 nan 4.420 nan 0.000 0.261 298 P C -0.491 176.709 177.300 -0.166 0.000 1.173 298 P CA 0.785 63.676 63.100 -0.348 0.000 0.760 298 P CB 0.163 31.665 31.700 -0.330 0.000 0.783 299 D N -0.122 120.226 120.400 -0.088 0.000 3.018 299 D HA -0.209 4.436 4.640 0.009 0.000 0.224 299 D C -0.142 176.140 176.300 -0.031 0.000 1.185 299 D CA 1.384 55.361 54.000 -0.038 0.000 0.858 299 D CB -0.732 40.050 40.800 -0.029 0.000 1.112 299 D HN 0.577 nan 8.370 nan 0.000 0.415 300 E N -0.624 119.548 120.200 -0.048 0.000 2.263 300 E HA 0.665 5.020 4.350 0.009 0.000 0.264 300 E C -0.072 176.512 176.600 -0.026 0.000 0.923 300 E CA -0.785 55.592 56.400 -0.039 0.000 0.802 300 E CB 1.603 31.265 29.700 -0.062 0.000 1.228 300 E HN 0.148 nan 8.360 nan 0.000 0.417 301 A N 2.604 125.409 122.820 -0.026 0.000 2.386 301 A HA 0.343 4.669 4.320 0.009 0.000 0.248 301 A C -2.107 175.386 177.584 -0.152 0.000 1.082 301 A CA -1.086 50.929 52.037 -0.036 0.000 0.789 301 A CB -0.298 18.701 19.000 -0.002 0.000 1.025 301 A HN 0.362 nan 8.150 nan 0.000 0.490 302 P HA 0.160 nan 4.420 nan 0.000 0.268 302 P C -0.656 176.395 177.300 -0.416 0.000 1.205 302 P CA 0.209 62.975 63.100 -0.556 0.000 0.771 302 P CB 0.708 31.611 31.700 -1.328 0.000 0.858 303 E N 0.983 121.009 120.200 -0.289 0.000 2.202 303 E HA 0.416 4.771 4.350 0.009 0.000 0.272 303 E C -0.684 175.672 176.600 -0.407 0.000 0.951 303 E CA -1.072 55.138 56.400 -0.316 0.000 0.813 303 E CB 1.431 30.981 29.700 -0.251 0.000 1.151 303 E HN 0.293 nan 8.360 nan 0.000 0.398 304 L N 2.826 123.724 121.223 -0.542 0.000 2.312 304 L HA 0.463 4.808 4.340 0.009 0.000 0.281 304 L C -1.498 174.893 176.870 -0.799 0.000 1.070 304 L CA 0.144 54.707 54.840 -0.461 0.000 0.805 304 L CB 0.303 42.197 42.059 -0.275 0.000 1.174 304 L HN 0.417 nan 8.230 nan 0.000 0.434 305 F N 3.532 123.283 119.950 -0.331 0.000 2.574 305 F HA 0.491 5.024 4.527 0.010 0.000 0.313 305 F C -0.482 175.082 175.800 -0.394 0.000 1.130 305 F CA -0.860 56.802 58.000 -0.563 0.000 0.936 305 F CB 1.960 40.339 39.000 -1.035 0.000 1.219 305 F HN 0.005 nan 8.300 nan 0.000 0.445 306 V N 4.633 124.454 119.914 -0.156 0.000 2.394 306 V HA 0.338 4.463 4.120 0.009 0.000 0.282 306 V C 0.063 176.256 176.094 0.165 0.000 1.031 306 V CA -0.776 61.526 62.300 0.004 0.000 0.881 306 V CB 1.440 33.292 31.823 0.050 0.000 0.982 306 V HN 0.529 nan 8.190 nan 0.000 0.451 307 L N 7.218 128.564 121.223 0.205 0.000 2.410 307 L HA 0.288 4.633 4.340 0.009 0.000 0.273 307 L C -2.135 174.836 176.870 0.168 0.000 1.152 307 L CA -1.485 53.508 54.840 0.255 0.000 0.855 307 L CB 0.400 42.532 42.059 0.122 0.000 1.129 307 L HN 0.420 nan 8.230 nan 0.000 0.463 308 P HA 0.074 nan 4.420 nan 0.000 0.266 308 P C -1.990 175.355 177.300 0.075 0.000 1.215 308 P CA -0.941 62.226 63.100 0.112 0.000 0.763 308 P CB 0.418 32.175 31.700 0.096 0.000 0.806 309 P HA -0.268 nan 4.420 nan 0.000 0.218 309 P C 1.418 178.744 177.300 0.044 0.000 1.152 309 P CA 1.453 64.589 63.100 0.061 0.000 0.857 309 P CB -0.154 31.587 31.700 0.067 0.000 0.787 310 E N -0.162 120.061 120.200 0.039 0.000 2.204 310 E HA -0.144 4.211 4.350 0.009 0.000 0.195 310 E C 1.851 178.463 176.600 0.019 0.000 0.990 310 E CA 1.091 57.508 56.400 0.027 0.000 0.821 310 E CB -1.163 28.551 29.700 0.024 0.000 0.750 310 E HN 0.314 nan 8.360 nan 0.000 0.477 311 L N 0.988 122.222 121.223 0.019 0.000 2.179 311 L HA 0.037 4.382 4.340 0.009 0.000 0.208 311 L C 1.013 177.887 176.870 0.006 0.000 1.096 311 L CA 0.298 55.141 54.840 0.006 0.000 0.779 311 L CB 0.137 42.190 42.059 -0.010 0.000 0.922 311 L HN -0.086 nan 8.230 nan 0.000 0.443 312 V N 2.606 122.524 119.914 0.008 0.000 2.313 312 V HA 0.063 4.188 4.120 0.009 0.000 0.252 312 V C 0.187 176.296 176.094 0.024 0.000 1.112 312 V CA -0.413 61.887 62.300 0.000 0.000 0.984 312 V CB 0.556 32.366 31.823 -0.023 0.000 1.157 312 V HN 0.082 nan 8.190 nan 0.000 0.493 313 L N 5.668 126.912 121.223 0.036 0.000 2.410 313 L HA 0.362 4.707 4.340 0.009 0.000 0.273 313 L C 0.235 177.135 176.870 0.050 0.000 1.144 313 L CA 0.849 55.708 54.840 0.031 0.000 0.863 313 L CB 0.263 42.338 42.059 0.027 0.000 1.140 313 L HN 0.639 nan 8.230 nan 0.000 0.463 314 E N 3.323 123.532 120.200 0.016 0.000 2.336 314 E HA 0.622 4.978 4.350 0.009 0.000 0.267 314 E C -1.471 175.075 176.600 -0.091 0.000 0.906 314 E CA -1.045 55.361 56.400 0.010 0.000 0.781 314 E CB 2.463 32.192 29.700 0.049 0.000 1.261 314 E HN 0.375 nan 8.360 nan 0.000 0.436 315 V N 2.608 122.435 119.914 -0.145 0.000 2.483 315 V HA 0.324 4.449 4.120 0.009 0.000 0.297 315 V C -2.487 173.528 176.094 -0.132 0.000 1.027 315 V CA -1.998 60.156 62.300 -0.244 0.000 0.855 315 V CB 1.524 32.970 31.823 -0.628 0.000 0.995 315 V HN 0.523 nan 8.190 nan 0.000 0.424 316 P HA 0.360 nan 4.420 nan 0.000 0.281 316 P C -0.674 176.623 177.300 -0.006 0.000 1.252 316 P CA -0.224 62.843 63.100 -0.055 0.000 0.778 316 P CB 0.645 32.325 31.700 -0.033 0.000 0.895 317 L N 3.705 124.959 121.223 0.051 0.000 2.305 317 L HA 0.443 4.789 4.340 0.009 0.000 0.281 317 L C 1.078 178.058 176.870 0.184 0.000 1.085 317 L CA -0.082 54.833 54.840 0.126 0.000 0.813 317 L CB 0.402 42.586 42.059 0.209 0.000 1.157 317 L HN 0.479 nan 8.230 nan 0.000 0.436 318 E N 1.935 122.199 120.200 0.106 0.000 2.433 318 E HA 0.430 4.785 4.350 0.009 0.000 0.273 318 E C -1.356 175.179 176.600 -0.108 0.000 0.950 318 E CA -0.951 55.508 56.400 0.098 0.000 0.796 318 E CB 2.253 32.025 29.700 0.120 0.000 1.330 318 E HN 0.482 nan 8.360 nan 0.000 0.455 319 H N 1.110 119.976 119.070 -0.339 0.000 2.492 319 H HA 0.255 4.816 4.556 0.009 0.000 0.345 319 H C -1.831 173.133 175.328 -0.607 0.000 1.136 319 H CA -2.330 53.377 56.048 -0.569 0.000 1.202 319 H CB 2.108 31.467 29.762 -0.671 0.000 1.524 319 H HN 0.418 nan 8.280 nan 0.000 0.506 320 P HA -0.131 nan 4.420 nan 0.000 0.218 320 P C 0.903 178.054 177.300 -0.249 0.000 1.148 320 P CA 1.920 64.529 63.100 -0.818 0.000 0.822 320 P CB 0.445 31.698 31.700 -0.746 0.000 0.784 321 T N -4.685 109.900 114.554 0.052 0.000 2.980 321 T HA 0.197 4.553 4.350 0.009 0.000 0.252 321 T C 0.892 175.535 174.700 -0.096 0.000 0.962 321 T CA -0.236 61.866 62.100 0.004 0.000 0.932 321 T CB -0.612 68.270 68.868 0.023 0.000 1.188 321 T HN -0.063 nan 8.240 nan 0.000 0.500 322 L N 2.875 123.933 121.223 -0.276 0.000 2.401 322 L HA 0.362 4.707 4.340 0.009 0.000 0.283 322 L C 1.249 177.732 176.870 -0.646 0.000 1.151 322 L CA -0.269 54.146 54.840 -0.708 0.000 0.942 322 L CB 0.254 41.492 42.059 -1.367 0.000 1.283 322 L HN 0.275 nan 8.230 nan 0.000 0.442 323 E N 2.981 122.987 120.200 -0.323 0.000 2.219 323 E HA -0.213 4.142 4.350 0.009 0.000 0.198 323 E C 1.498 178.055 176.600 -0.072 0.000 0.998 323 E CA 1.518 57.838 56.400 -0.134 0.000 0.818 323 E CB 0.023 29.720 29.700 -0.005 0.000 0.741 323 E HN 0.811 nan 8.360 nan 0.000 0.477 324 W N -0.318 121.027 121.300 0.075 0.000 2.800 324 W HA 0.020 4.686 4.660 0.009 0.000 0.249 324 W C 1.442 178.019 176.519 0.097 0.000 1.294 324 W CA -0.236 57.145 57.345 0.061 0.000 1.402 324 W CB -0.861 28.611 29.460 0.020 0.000 1.126 324 W HN -0.041 nan 8.180 nan 0.000 0.652 325 F N 2.795 122.501 119.950 -0.406 0.000 2.171 325 F HA -0.075 4.458 4.527 0.009 0.000 0.300 325 F C 2.691 178.503 175.800 0.020 0.000 1.090 325 F CA 2.704 60.575 58.000 -0.215 0.000 1.293 325 F CB -0.387 38.368 39.000 -0.409 0.000 1.013 325 F HN -0.093 nan 8.300 nan 0.000 0.486 326 A N 0.124 123.103 122.820 0.264 0.000 1.978 326 A HA -0.125 4.201 4.320 0.009 0.000 0.220 326 A C 2.224 179.897 177.584 0.149 0.000 1.170 326 A CA 1.507 53.664 52.037 0.201 0.000 0.636 326 A CB -1.375 17.703 19.000 0.130 0.000 0.810 326 A HN 0.422 nan 8.150 nan 0.000 0.448 327 A N -1.202 121.708 122.820 0.149 0.000 2.209 327 A HA 0.187 4.512 4.320 0.009 0.000 0.212 327 A C 1.683 179.330 177.584 0.106 0.000 1.158 327 A CA 0.971 53.084 52.037 0.126 0.000 0.742 327 A CB -0.371 18.716 19.000 0.144 0.000 0.790 327 A HN 0.365 nan 8.150 nan 0.000 0.472 328 L N -1.049 120.227 121.223 0.088 0.000 2.395 328 L HA 0.144 4.489 4.340 0.009 0.000 0.218 328 L C 1.855 178.780 176.870 0.093 0.000 1.130 328 L CA 1.174 56.039 54.840 0.042 0.000 0.826 328 L CB -0.828 41.164 42.059 -0.111 0.000 0.941 328 L HN 0.605 nan 8.230 nan 0.000 0.451 329 G N -0.327 108.537 108.800 0.107 0.000 2.198 329 G HA2 -0.290 3.675 3.960 0.009 0.000 0.260 329 G HA3 -0.290 3.675 3.960 0.009 0.000 0.260 329 G C 0.335 175.318 174.900 0.138 0.000 1.025 329 G CA 0.335 45.511 45.100 0.126 0.000 0.769 329 G HN 0.298 nan 8.290 nan 0.000 0.507 330 L N -0.232 121.048 121.223 0.096 0.000 2.418 330 L HA 0.791 5.136 4.340 0.009 0.000 0.265 330 L C 1.107 177.838 176.870 -0.232 0.000 1.143 330 L CA -0.608 54.231 54.840 -0.002 0.000 0.809 330 L CB 0.962 43.106 42.059 0.141 0.000 1.124 330 L HN 0.583 nan 8.230 nan 0.000 0.456 331 R N 1.434 121.564 120.500 -0.617 0.000 2.741 331 R HA 0.499 4.844 4.340 0.009 0.000 0.274 331 R C -2.152 174.008 176.300 -0.234 0.000 1.029 331 R CA -1.022 54.832 56.100 -0.409 0.000 0.880 331 R CB 1.754 31.764 30.300 -0.482 0.000 1.264 331 R HN 0.655 nan 8.270 nan 0.000 0.465 332 W N 1.341 122.541 121.300 -0.166 0.000 3.248 332 W HA 0.334 4.999 4.660 0.008 0.000 0.311 332 W C -1.390 175.176 176.519 0.077 0.000 1.258 332 W CA -0.929 56.409 57.345 -0.011 0.000 1.191 332 W CB 1.884 31.262 29.460 -0.136 0.000 1.389 332 W HN 0.685 nan 8.180 nan 0.000 0.561 333 Y N 1.225 121.387 120.300 -0.230 0.000 2.304 333 Y HA 0.566 5.121 4.550 0.008 0.000 0.327 333 Y C 0.805 176.924 175.900 0.364 0.000 1.209 333 Y CA 0.080 58.169 58.100 -0.019 0.000 1.299 333 Y CB 0.356 38.678 38.460 -0.230 0.000 1.249 333 Y HN 0.354 nan 8.280 nan 0.000 0.519 334 A N 2.686 125.765 122.820 0.433 0.000 1.968 334 A HA 0.016 4.342 4.320 0.009 0.000 0.217 334 A C 0.616 178.536 177.584 0.561 0.000 1.169 334 A CA 0.484 52.828 52.037 0.512 0.000 0.638 334 A CB -0.378 18.765 19.000 0.239 0.000 0.812 334 A HN 0.701 nan 8.150 nan 0.000 0.446 335 L N 2.017 123.521 121.223 0.467 0.000 2.255 335 L HA 0.393 4.738 4.340 0.009 0.000 0.289 335 L C -2.516 174.510 176.870 0.259 0.000 1.046 335 L CA -2.149 52.871 54.840 0.300 0.000 0.816 335 L CB 1.441 43.606 42.059 0.177 0.000 1.197 335 L HN -0.001 nan 8.230 nan 0.000 0.427 336 P HA 0.338 nan 4.420 nan 0.000 0.295 336 P C -1.491 175.730 177.300 -0.132 0.000 1.354 336 P CA -0.363 62.626 63.100 -0.185 0.000 0.814 336 P CB 1.397 32.603 31.700 -0.825 0.000 0.935 337 A N 4.502 127.249 122.820 -0.122 0.000 2.466 337 A HA 0.422 4.748 4.320 0.009 0.000 0.291 337 A C -0.271 177.099 177.584 -0.357 0.000 1.234 337 A CA -0.657 51.234 52.037 -0.244 0.000 0.752 337 A CB 0.900 19.762 19.000 -0.230 0.000 1.153 337 A HN 0.294 nan 8.150 nan 0.000 0.458 338 V N 2.898 122.434 119.914 -0.630 0.000 2.521 338 V HA 0.274 4.399 4.120 0.009 0.000 0.286 338 V C 1.195 176.873 176.094 -0.693 0.000 1.034 338 V CA 1.133 63.009 62.300 -0.708 0.000 1.045 338 V CB 1.108 32.303 31.823 -1.046 0.000 0.974 338 V HN 1.107 nan 8.190 nan 0.000 0.480 339 S N 1.640 117.143 115.700 -0.328 0.000 2.780 339 S HA 0.068 4.543 4.470 0.009 0.000 0.248 339 S C 0.729 175.307 174.600 -0.037 0.000 1.036 339 S CA 0.055 58.152 58.200 -0.171 0.000 1.061 339 S CB -0.411 62.728 63.200 -0.102 0.000 1.037 339 S HN 0.914 nan 8.310 nan 0.000 0.584 340 N N 0.357 119.040 118.700 -0.027 0.000 2.184 340 N HA 0.301 5.046 4.740 0.009 0.000 0.206 340 N C 0.165 175.725 175.510 0.082 0.000 1.151 340 N CA -0.512 52.561 53.050 0.038 0.000 0.878 340 N CB 0.122 38.631 38.487 0.038 0.000 1.014 340 N HN 0.257 nan 8.380 nan 0.000 0.512 341 M N 1.446 121.110 119.600 0.107 0.000 2.288 341 M HA 0.289 4.774 4.480 0.009 0.000 0.334 341 M C -0.550 175.896 176.300 0.244 0.000 1.150 341 M CA -0.791 54.629 55.300 0.200 0.000 1.118 341 M CB 2.251 35.016 32.600 0.276 0.000 1.501 341 M HN 0.138 nan 8.290 nan 0.000 0.462 342 L N 3.074 124.427 121.223 0.216 0.000 2.295 342 L HA 0.492 4.837 4.340 0.009 0.000 0.285 342 L C -1.263 175.727 176.870 0.200 0.000 1.035 342 L CA -0.855 54.099 54.840 0.190 0.000 0.806 342 L CB 1.001 43.123 42.059 0.106 0.000 1.214 342 L HN 0.578 nan 8.230 nan 0.000 0.426 343 L N 5.369 126.710 121.223 0.197 0.000 2.257 343 L HA 0.440 4.786 4.340 0.009 0.000 0.290 343 L C -0.414 176.481 176.870 0.042 0.000 1.044 343 L CA 0.327 55.171 54.840 0.006 0.000 0.810 343 L CB 0.946 42.992 42.059 -0.021 0.000 1.193 343 L HN 0.660 nan 8.230 nan 0.000 0.425 344 E N 6.522 126.663 120.200 -0.097 0.000 2.151 344 E HA 0.417 4.773 4.350 0.009 0.000 0.275 344 E C -1.543 174.976 176.600 -0.136 0.000 0.936 344 E CA -0.442 55.920 56.400 -0.063 0.000 0.777 344 E CB 1.159 30.818 29.700 -0.070 0.000 1.108 344 E HN 0.699 nan 8.360 nan 0.000 0.401 345 I N 2.497 122.999 120.570 -0.115 0.000 2.512 345 I HA 0.243 4.419 4.170 0.009 0.000 0.287 345 I C 0.800 176.734 176.117 -0.306 0.000 1.069 345 I CA -0.707 60.406 61.300 -0.312 0.000 1.056 345 I CB 2.020 39.756 38.000 -0.441 0.000 1.229 345 I HN 0.796 nan 8.210 nan 0.000 0.429 346 G N 4.149 112.809 108.800 -0.232 0.000 2.361 346 G HA2 -0.143 3.823 3.960 0.009 0.000 0.294 346 G HA3 -0.143 3.823 3.960 0.009 0.000 0.294 346 G C 1.036 176.025 174.900 0.148 0.000 1.004 346 G CA 0.906 46.054 45.100 0.079 0.000 0.870 346 G HN 1.579 nan 8.290 nan 0.000 0.510 347 G N -1.996 106.828 108.800 0.040 0.000 2.234 347 G HA2 -0.227 3.738 3.960 0.009 0.000 0.235 347 G HA3 -0.227 3.738 3.960 0.009 0.000 0.235 347 G C 0.500 175.365 174.900 -0.058 0.000 0.997 347 G CA 0.313 45.434 45.100 0.034 0.000 0.623 347 G HN 1.240 nan 8.290 nan 0.000 0.514 348 L N 1.248 122.385 121.223 -0.145 0.000 2.349 348 L HA 0.501 4.846 4.340 0.009 0.000 0.275 348 L C 0.267 176.964 176.870 -0.288 0.000 1.115 348 L CA -0.230 54.417 54.840 -0.321 0.000 0.820 348 L CB 0.916 42.684 42.059 -0.485 0.000 1.135 348 L HN 0.222 nan 8.230 nan 0.000 0.445 349 E N 3.316 123.291 120.200 -0.375 0.000 2.129 349 E HA 0.320 4.675 4.350 0.009 0.000 0.268 349 E C -1.366 175.006 176.600 -0.380 0.000 0.900 349 E CA -0.365 55.888 56.400 -0.245 0.000 0.755 349 E CB 1.347 30.967 29.700 -0.133 0.000 1.117 349 E HN 0.294 nan 8.360 nan 0.000 0.410 350 F N 2.225 122.144 119.950 -0.051 0.000 2.309 350 F HA 0.072 4.605 4.527 0.010 0.000 0.366 350 F C 1.663 177.497 175.800 0.058 0.000 1.104 350 F CA -0.434 57.562 58.000 -0.007 0.000 1.179 350 F CB 0.856 39.835 39.000 -0.035 0.000 1.437 350 F HN 0.449 nan 8.300 nan 0.000 0.528 351 S N 1.414 117.210 115.700 0.161 0.000 2.442 351 S HA 0.042 4.518 4.470 0.009 0.000 0.236 351 S C 0.882 175.610 174.600 0.214 0.000 1.007 351 S CA 0.501 58.795 58.200 0.158 0.000 0.965 351 S CB -0.037 63.235 63.200 0.119 0.000 0.773 351 S HN 0.476 nan 8.310 nan 0.000 0.504 352 A N 0.347 123.340 122.820 0.288 0.000 2.340 352 A HA 0.834 5.159 4.320 0.009 0.000 0.297 352 A C -0.184 177.654 177.584 0.424 0.000 1.195 352 A CA -0.189 52.052 52.037 0.339 0.000 0.769 352 A CB 1.084 20.279 19.000 0.326 0.000 1.163 352 A HN 1.112 nan 8.150 nan 0.000 0.472 353 A N 4.159 127.176 122.820 0.328 0.000 3.330 353 A HA 0.597 4.922 4.320 0.009 0.000 0.256 353 A C -3.036 174.689 177.584 0.234 0.000 1.185 353 A CA -0.815 51.365 52.037 0.239 0.000 0.940 353 A CB 0.335 19.466 19.000 0.219 0.000 1.397 353 A HN 0.529 nan 8.150 nan 0.000 0.678 354 P HA 0.382 nan 4.420 nan 0.000 0.265 354 P C -0.709 176.607 177.300 0.027 0.000 1.193 354 P CA 0.516 63.583 63.100 -0.055 0.000 0.765 354 P CB 0.195 31.831 31.700 -0.106 0.000 0.823 355 F N 0.095 119.992 119.950 -0.089 0.000 2.577 355 F HA 0.789 5.320 4.527 0.008 0.000 0.318 355 F C -0.534 175.176 175.800 -0.149 0.000 1.065 355 F CA -1.242 56.698 58.000 -0.101 0.000 0.929 355 F CB 1.704 40.515 39.000 -0.315 0.000 1.237 355 F HN 0.412 nan 8.300 nan 0.000 0.468 356 S N 0.347 116.127 115.700 0.133 0.000 2.556 356 S HA 0.924 5.400 4.470 0.009 0.000 0.271 356 S C -0.778 173.778 174.600 -0.073 0.000 1.135 356 S CA -0.153 58.058 58.200 0.018 0.000 0.858 356 S CB 1.441 64.718 63.200 0.128 0.000 1.114 356 S HN 1.461 nan 8.310 nan 0.000 0.468 357 G N 0.178 108.888 108.800 -0.151 0.000 3.382 357 G HA2 0.745 4.710 3.960 0.009 0.000 0.183 357 G HA3 0.745 4.710 3.960 0.009 0.000 0.183 357 G C -1.439 173.445 174.900 -0.027 0.000 1.246 357 G CA -0.299 44.643 45.100 -0.264 0.000 0.828 357 G HN 1.147 nan 8.290 nan 0.000 0.728 358 W N -1.485 119.809 121.300 -0.010 0.000 3.031 358 W HA 0.814 5.478 4.660 0.007 0.000 0.337 358 W C -1.678 174.825 176.519 -0.027 0.000 1.187 358 W CA -2.208 55.143 57.345 0.010 0.000 1.166 358 W CB 0.401 29.912 29.460 0.085 0.000 1.437 358 W HN 0.388 nan 8.180 nan 0.000 0.551 359 Y N 2.568 123.059 120.300 0.319 0.000 2.379 359 Y HA 0.291 4.847 4.550 0.009 0.000 0.337 359 Y C 0.811 176.776 175.900 0.107 0.000 1.238 359 Y CA -0.635 57.534 58.100 0.116 0.000 1.405 359 Y CB 1.121 39.550 38.460 -0.051 0.000 1.310 359 Y HN 0.458 nan 8.280 nan 0.000 0.569 360 M N 2.159 121.913 119.600 0.256 0.000 2.205 360 M HA 0.210 4.695 4.480 0.009 0.000 0.344 360 M C 1.054 177.359 176.300 0.009 0.000 1.085 360 M CA -0.326 55.053 55.300 0.131 0.000 1.001 360 M CB 1.212 33.867 32.600 0.092 0.000 1.626 360 M HN 0.851 nan 8.290 nan 0.000 0.442 361 S N 1.663 117.326 115.700 -0.063 0.000 2.400 361 S HA -0.230 4.246 4.470 0.009 0.000 0.234 361 S C 1.493 175.966 174.600 -0.211 0.000 1.049 361 S CA 2.412 60.502 58.200 -0.183 0.000 1.039 361 S CB -1.459 61.675 63.200 -0.109 0.000 0.856 361 S HN 0.933 nan 8.310 nan 0.000 0.465 362 T N -0.357 114.104 114.554 -0.155 0.000 2.929 362 T HA -0.007 4.348 4.350 0.009 0.000 0.271 362 T C 1.569 176.125 174.700 -0.240 0.000 1.085 362 T CA 1.238 63.201 62.100 -0.229 0.000 1.125 362 T CB -0.592 68.105 68.868 -0.284 0.000 0.874 362 T HN 0.619 nan 8.240 nan 0.000 0.494 363 E N 0.741 120.820 120.200 -0.201 0.000 2.110 363 E HA -0.030 4.325 4.350 0.009 0.000 0.193 363 E C 2.021 178.364 176.600 -0.429 0.000 0.988 363 E CA 1.343 57.626 56.400 -0.196 0.000 0.804 363 E CB -0.220 29.503 29.700 0.037 0.000 0.745 363 E HN 0.612 nan 8.360 nan 0.000 0.458 364 I N -0.206 119.981 120.570 -0.638 0.000 2.364 364 I HA -0.032 4.143 4.170 0.009 0.000 0.241 364 I C 2.551 178.315 176.117 -0.587 0.000 1.082 364 I CA 0.820 61.565 61.300 -0.925 0.000 1.401 364 I CB -0.471 36.879 38.000 -1.084 0.000 1.126 364 I HN 0.100 nan 8.210 nan 0.000 0.429 365 G N 0.170 108.731 108.800 -0.398 0.000 2.432 365 G HA2 -0.154 3.811 3.960 0.009 0.000 0.219 365 G HA3 -0.154 3.811 3.960 0.009 0.000 0.219 365 G C 1.592 176.382 174.900 -0.184 0.000 1.135 365 G CA 1.462 46.421 45.100 -0.235 0.000 0.767 365 G HN 0.294 nan 8.290 nan 0.000 0.550 366 T N -0.465 113.958 114.554 -0.219 0.000 3.087 366 T HA 0.123 4.478 4.350 0.009 0.000 0.237 366 T C 2.501 177.097 174.700 -0.174 0.000 0.990 366 T CA 0.082 62.075 62.100 -0.179 0.000 1.160 366 T CB 0.181 68.927 68.868 -0.203 0.000 0.923 366 T HN 0.011 nan 8.240 nan 0.000 0.442 367 R N 2.049 122.424 120.500 -0.209 0.000 2.051 367 R HA 0.187 4.532 4.340 0.009 0.000 0.225 367 R C 2.137 178.321 176.300 -0.194 0.000 1.155 367 R CA 1.021 57.006 56.100 -0.191 0.000 0.945 367 R CB -1.182 29.008 30.300 -0.184 0.000 0.840 367 R HN 0.290 nan 8.270 nan 0.000 0.432 368 N N 1.052 119.586 118.700 -0.278 0.000 2.120 368 N HA -0.088 4.657 4.740 0.009 0.000 0.188 368 N C 1.927 177.362 175.510 -0.124 0.000 1.024 368 N CA 1.103 53.979 53.050 -0.290 0.000 0.852 368 N CB -0.220 37.746 38.487 -0.869 0.000 1.003 368 N HN 0.179 nan 8.380 nan 0.000 0.424 369 L N -0.873 120.231 121.223 -0.198 0.000 2.354 369 L HA 0.086 4.431 4.340 0.009 0.000 0.212 369 L C 1.243 178.146 176.870 0.054 0.000 1.091 369 L CA 0.403 55.230 54.840 -0.022 0.000 0.828 369 L CB 0.202 42.218 42.059 -0.071 0.000 0.973 369 L HN 0.178 nan 8.230 nan 0.000 0.461 370 C N -1.641 117.648 119.300 -0.018 0.000 3.065 370 C HA 0.179 4.645 4.460 0.009 0.000 0.285 370 C C 0.722 175.701 174.990 -0.019 0.000 1.257 370 C CA -0.928 58.091 59.018 0.002 0.000 1.691 370 C CB -0.247 27.482 27.740 -0.017 0.000 2.089 370 C HN 0.289 nan 8.230 nan 0.000 0.630 371 D N 3.073 123.429 120.400 -0.074 0.000 2.472 371 D HA 0.040 4.685 4.640 0.009 0.000 0.237 371 D C -1.049 175.226 176.300 -0.043 0.000 1.141 371 D CA -1.225 52.707 54.000 -0.113 0.000 0.875 371 D CB 0.676 41.253 40.800 -0.372 0.000 1.192 371 D HN 0.194 nan 8.370 nan 0.000 0.450 372 P HA -0.155 nan 4.420 nan 0.000 0.220 372 P C 0.645 178.030 177.300 0.141 0.000 1.148 372 P CA 1.302 64.475 63.100 0.121 0.000 0.803 372 P CB 0.013 31.799 31.700 0.143 0.000 0.782 373 H N -2.272 116.806 119.070 0.013 0.000 2.519 373 H HA 0.368 4.930 4.556 0.009 0.000 0.289 373 H C 0.927 176.261 175.328 0.009 0.000 1.040 373 H CA -0.326 55.727 56.048 0.008 0.000 1.165 373 H CB -0.057 29.711 29.762 0.010 0.000 1.462 373 H HN -0.027 nan 8.280 nan 0.000 0.555 374 R N -0.211 120.187 120.500 -0.169 0.000 3.066 374 R HA 0.182 4.527 4.340 0.009 0.000 0.143 374 R C 1.099 177.349 176.300 -0.084 0.000 1.187 374 R CA -0.720 55.312 56.100 -0.113 0.000 0.722 374 R CB -0.856 29.400 30.300 -0.073 0.000 1.366 374 R HN 0.079 nan 8.270 nan 0.000 0.421 375 Y N 1.637 121.955 120.300 0.030 0.000 2.403 375 Y HA -0.054 4.501 4.550 0.009 0.000 0.291 375 Y C 0.751 176.674 175.900 0.039 0.000 1.143 375 Y CA 1.376 59.510 58.100 0.055 0.000 1.257 375 Y CB -0.352 38.180 38.460 0.121 0.000 0.984 375 Y HN 0.549 nan 8.280 nan 0.000 0.550 376 N N 0.716 119.495 118.700 0.132 0.000 2.705 376 N HA -0.229 4.516 4.740 0.009 0.000 0.255 376 N C 0.524 176.110 175.510 0.126 0.000 1.008 376 N CA 0.330 53.440 53.050 0.100 0.000 0.742 376 N CB -1.025 37.504 38.487 0.069 0.000 0.906 376 N HN 0.606 nan 8.380 nan 0.000 0.541 377 I N -3.093 117.568 120.570 0.150 0.000 3.812 377 I HA 0.031 4.206 4.170 0.009 0.000 0.320 377 I C 1.707 177.911 176.117 0.145 0.000 1.276 377 I CA -0.335 61.050 61.300 0.141 0.000 1.164 377 I CB 0.031 38.121 38.000 0.149 0.000 1.009 377 I HN 0.111 nan 8.210 nan 0.000 0.431 378 L N 1.691 123.011 121.223 0.162 0.000 1.990 378 L HA -0.231 4.114 4.340 0.009 0.000 0.213 378 L C 2.592 179.660 176.870 0.330 0.000 1.072 378 L CA 2.168 57.142 54.840 0.222 0.000 0.755 378 L CB -0.887 41.281 42.059 0.181 0.000 0.889 378 L HN 0.489 nan 8.230 nan 0.000 0.432 379 E N -1.016 119.371 120.200 0.312 0.000 2.077 379 E HA -0.238 4.117 4.350 0.009 0.000 0.193 379 E C 1.744 178.366 176.600 0.038 0.000 0.989 379 E CA 1.420 57.924 56.400 0.175 0.000 0.800 379 E CB 0.021 29.771 29.700 0.083 0.000 0.746 379 E HN 0.532 nan 8.360 nan 0.000 0.452 380 D N 0.023 120.451 120.400 0.046 0.000 2.097 380 D HA -0.150 4.495 4.640 0.009 0.000 0.195 380 D C 2.081 178.368 176.300 -0.022 0.000 0.989 380 D CA 1.013 55.007 54.000 -0.009 0.000 0.827 380 D CB -0.266 40.538 40.800 0.007 0.000 0.966 380 D HN 0.128 nan 8.370 nan 0.000 0.456 381 V N 1.510 121.459 119.914 0.058 0.000 2.427 381 V HA -0.202 3.923 4.120 0.009 0.000 0.248 381 V C 2.532 178.687 176.094 0.102 0.000 1.051 381 V CA 1.642 64.009 62.300 0.111 0.000 1.048 381 V CB -0.695 31.265 31.823 0.228 0.000 0.666 381 V HN 0.176 nan 8.190 nan 0.000 0.456 382 A N -0.278 122.618 122.820 0.128 0.000 1.898 382 A HA -0.144 4.181 4.320 0.009 0.000 0.216 382 A C 2.394 179.937 177.584 -0.068 0.000 1.181 382 A CA 1.896 54.001 52.037 0.113 0.000 0.620 382 A CB -0.630 18.510 19.000 0.233 0.000 0.819 382 A HN 0.324 nan 8.150 nan 0.000 0.442 383 V N -0.697 119.130 119.914 -0.145 0.000 2.332 383 V HA -0.335 3.790 4.120 0.009 0.000 0.248 383 V C 2.614 178.546 176.094 -0.271 0.000 1.055 383 V CA 2.117 64.295 62.300 -0.203 0.000 1.038 383 V CB -1.003 30.706 31.823 -0.191 0.000 0.651 383 V HN 0.720 nan 8.190 nan 0.000 0.450 384 C N -0.547 118.522 119.300 -0.383 0.000 2.435 384 C HA -0.103 4.362 4.460 0.009 0.000 0.279 384 C C 2.589 177.132 174.990 -0.745 0.000 1.321 384 C CA 0.871 59.417 59.018 -0.787 0.000 1.752 384 C CB -1.010 25.922 27.740 -1.346 0.000 1.959 384 C HN 0.530 nan 8.230 nan 0.000 0.500 385 M N -0.009 119.410 119.600 -0.302 0.000 2.561 385 M HA 0.050 4.535 4.480 0.009 0.000 0.238 385 M C 0.409 176.682 176.300 -0.045 0.000 1.131 385 M CA 0.797 56.088 55.300 -0.016 0.000 1.046 385 M CB -0.378 32.323 32.600 0.169 0.000 1.532 385 M HN 0.237 nan 8.290 nan 0.000 0.497 386 D N 1.671 121.996 120.400 -0.125 0.000 2.718 386 D HA -0.144 4.502 4.640 0.009 0.000 0.242 386 D C -1.097 175.168 176.300 -0.058 0.000 1.123 386 D CA 0.459 54.396 54.000 -0.105 0.000 0.690 386 D CB -0.862 39.884 40.800 -0.090 0.000 1.059 386 D HN 0.300 nan 8.370 nan 0.000 0.429 387 L N -0.115 121.074 121.223 -0.055 0.000 2.352 387 L HA 0.438 4.784 4.340 0.009 0.000 0.269 387 L C 0.861 177.667 176.870 -0.107 0.000 1.034 387 L CA -1.032 53.799 54.840 -0.015 0.000 0.806 387 L CB 0.919 43.036 42.059 0.096 0.000 1.244 387 L HN -0.012 nan 8.230 nan 0.000 0.447 388 D N 0.723 121.086 120.400 -0.062 0.000 2.416 388 D HA 0.002 4.647 4.640 0.009 0.000 0.240 388 D C 1.048 177.167 176.300 -0.302 0.000 1.250 388 D CA -0.112 53.817 54.000 -0.118 0.000 0.967 388 D CB 0.661 41.450 40.800 -0.018 0.000 1.059 388 D HN 0.607 nan 8.370 nan 0.000 0.512 389 T N 0.533 114.712 114.554 -0.625 0.000 3.194 389 T HA 0.010 4.366 4.350 0.009 0.000 0.251 389 T C 1.456 175.815 174.700 -0.567 0.000 1.132 389 T CA -0.114 61.194 62.100 -1.321 0.000 1.028 389 T CB 0.046 68.025 68.868 -1.482 0.000 0.976 389 T HN 0.230 nan 8.240 nan 0.000 0.535 390 R N 0.478 120.829 120.500 -0.249 0.000 2.280 390 R HA 0.124 4.470 4.340 0.009 0.000 0.195 390 R C 0.030 176.349 176.300 0.032 0.000 0.935 390 R CA 0.512 56.561 56.100 -0.086 0.000 1.033 390 R CB 0.196 30.452 30.300 -0.073 0.000 0.964 390 R HN 0.386 nan 8.270 nan 0.000 0.489 391 T N -0.826 113.788 114.554 0.101 0.000 2.952 391 T HA 0.130 4.485 4.350 0.009 0.000 0.305 391 T C 0.994 175.867 174.700 0.289 0.000 1.064 391 T CA -0.277 61.920 62.100 0.162 0.000 1.008 391 T CB 1.816 70.743 68.868 0.098 0.000 1.078 391 T HN 0.265 nan 8.240 nan 0.000 0.459 392 T N 1.155 115.835 114.554 0.211 0.000 2.788 392 T HA -0.118 4.238 4.350 0.009 0.000 0.268 392 T C 2.138 176.890 174.700 0.086 0.000 1.044 392 T CA 1.775 63.958 62.100 0.138 0.000 1.139 392 T CB -0.753 68.150 68.868 0.059 0.000 0.867 392 T HN 0.708 nan 8.240 nan 0.000 0.454 393 S N 2.149 117.900 115.700 0.084 0.000 2.537 393 S HA -0.085 4.391 4.470 0.009 0.000 0.240 393 S C 2.120 176.766 174.600 0.077 0.000 0.981 393 S CA 0.929 59.164 58.200 0.059 0.000 0.948 393 S CB -0.962 62.267 63.200 0.049 0.000 0.759 393 S HN 0.799 nan 8.310 nan 0.000 0.531 394 S N 1.657 117.438 115.700 0.136 0.000 2.489 394 S HA 0.210 4.686 4.470 0.009 0.000 0.228 394 S C 1.022 175.703 174.600 0.134 0.000 0.995 394 S CA 0.341 58.632 58.200 0.152 0.000 0.934 394 S CB -0.941 62.391 63.200 0.221 0.000 0.771 394 S HN 0.641 nan 8.310 nan 0.000 0.522 395 L N 0.663 121.930 121.223 0.074 0.000 3.865 395 L HA -0.171 4.174 4.340 0.009 0.000 0.408 395 L C 1.635 178.502 176.870 -0.006 0.000 1.209 395 L CA 0.722 55.546 54.840 -0.027 0.000 0.940 395 L CB -2.526 39.531 42.059 -0.003 0.000 1.971 395 L HN 0.744 nan 8.230 nan 0.000 0.899 396 W N 0.141 121.453 121.300 0.019 0.000 2.374 396 W HA -0.155 4.510 4.660 0.009 0.000 0.288 396 W C 1.705 178.242 176.519 0.029 0.000 1.218 396 W CA 1.331 58.690 57.345 0.023 0.000 1.245 396 W CB -0.718 28.752 29.460 0.016 0.000 1.126 396 W HN 0.284 nan 8.180 nan 0.000 0.545 397 K N 1.036 120.975 120.400 -0.769 0.000 2.057 397 K HA -0.155 4.170 4.320 0.009 0.000 0.206 397 K C 1.533 177.991 176.600 -0.236 0.000 1.050 397 K CA 2.295 58.176 56.287 -0.676 0.000 0.935 397 K CB -0.340 31.622 32.500 -0.896 0.000 0.715 397 K HN 0.040 nan 8.250 nan 0.000 0.439 398 D N 0.728 121.014 120.400 -0.190 0.000 2.097 398 D HA -0.128 4.517 4.640 0.009 0.000 0.195 398 D C 1.684 177.980 176.300 -0.007 0.000 0.989 398 D CA 1.243 55.191 54.000 -0.085 0.000 0.827 398 D CB 0.035 40.793 40.800 -0.069 0.000 0.966 398 D HN 0.120 nan 8.370 nan 0.000 0.456 399 K N 0.571 120.994 120.400 0.038 0.000 2.026 399 K HA -0.043 4.282 4.320 0.009 0.000 0.208 399 K C 2.244 178.919 176.600 0.124 0.000 1.048 399 K CA 1.185 57.526 56.287 0.090 0.000 0.929 399 K CB -0.211 32.363 32.500 0.123 0.000 0.713 399 K HN 0.084 nan 8.250 nan 0.000 0.439 400 A N 1.673 124.588 122.820 0.157 0.000 1.877 400 A HA -0.150 4.175 4.320 0.009 0.000 0.216 400 A C 2.416 180.093 177.584 0.156 0.000 1.186 400 A CA 1.949 54.107 52.037 0.202 0.000 0.620 400 A CB -0.812 18.341 19.000 0.255 0.000 0.822 400 A HN 0.349 nan 8.150 nan 0.000 0.443 401 A N -0.579 122.288 122.820 0.079 0.000 1.908 401 A HA -0.045 4.280 4.320 0.009 0.000 0.218 401 A C 2.251 179.857 177.584 0.037 0.000 1.181 401 A CA 1.932 53.989 52.037 0.034 0.000 0.627 401 A CB -0.992 17.988 19.000 -0.033 0.000 0.818 401 A HN 0.412 nan 8.150 nan 0.000 0.445 402 V N 0.215 120.158 119.914 0.048 0.000 2.295 402 V HA -0.216 3.909 4.120 0.009 0.000 0.246 402 V C 2.587 178.728 176.094 0.079 0.000 1.049 402 V CA 2.172 64.506 62.300 0.056 0.000 1.024 402 V CB -0.723 31.139 31.823 0.065 0.000 0.648 402 V HN 0.512 nan 8.190 nan 0.000 0.447 403 E N -0.093 120.187 120.200 0.132 0.000 2.110 403 E HA -0.139 4.216 4.350 0.009 0.000 0.193 403 E C 2.111 178.792 176.600 0.135 0.000 0.988 403 E CA 1.224 57.742 56.400 0.198 0.000 0.804 403 E CB -0.316 29.528 29.700 0.240 0.000 0.745 403 E HN 0.590 nan 8.360 nan 0.000 0.458 404 I N 1.405 122.073 120.570 0.163 0.000 2.252 404 I HA -0.239 3.936 4.170 0.009 0.000 0.245 404 I C 2.129 178.242 176.117 -0.007 0.000 1.102 404 I CA 0.777 62.168 61.300 0.153 0.000 1.385 404 I CB -0.262 37.872 38.000 0.225 0.000 1.064 404 I HN 0.073 nan 8.210 nan 0.000 0.414 405 N N 0.679 119.367 118.700 -0.020 0.000 2.188 405 N HA -0.157 4.589 4.740 0.009 0.000 0.184 405 N C 1.903 177.368 175.510 -0.074 0.000 1.018 405 N CA 1.104 54.116 53.050 -0.063 0.000 0.858 405 N CB -0.071 38.387 38.487 -0.048 0.000 0.989 405 N HN 0.206 nan 8.380 nan 0.000 0.426 406 L N 1.505 122.679 121.223 -0.082 0.000 2.093 406 L HA -0.016 4.330 4.340 0.009 0.000 0.208 406 L C 2.227 178.947 176.870 -0.249 0.000 1.085 406 L CA 1.327 56.077 54.840 -0.150 0.000 0.755 406 L CB -0.727 41.219 42.059 -0.189 0.000 0.904 406 L HN 0.034 nan 8.230 nan 0.000 0.435 407 A N -1.195 121.419 122.820 -0.343 0.000 1.902 407 A HA -0.146 4.180 4.320 0.009 0.000 0.217 407 A C 2.266 179.760 177.584 -0.151 0.000 1.181 407 A CA 1.949 53.731 52.037 -0.424 0.000 0.623 407 A CB -1.059 17.425 19.000 -0.859 0.000 0.818 407 A HN 0.292 nan 8.150 nan 0.000 0.443 408 V N 0.061 119.913 119.914 -0.104 0.000 2.295 408 V HA -0.255 3.870 4.120 0.009 0.000 0.246 408 V C 2.577 178.682 176.094 0.020 0.000 1.049 408 V CA 1.961 64.246 62.300 -0.026 0.000 1.024 408 V CB -0.728 30.994 31.823 -0.169 0.000 0.648 408 V HN 0.570 nan 8.190 nan 0.000 0.447 409 L N -0.611 120.585 121.223 -0.046 0.000 2.017 409 L HA -0.220 4.125 4.340 0.009 0.000 0.208 409 L C 2.613 179.509 176.870 0.044 0.000 1.073 409 L CA 2.216 57.046 54.840 -0.016 0.000 0.745 409 L CB -0.821 41.221 42.059 -0.029 0.000 0.894 409 L HN 0.473 nan 8.230 nan 0.000 0.432 410 H N -0.238 118.782 119.070 -0.084 0.000 2.290 410 H HA -0.158 4.403 4.556 0.009 0.000 0.298 410 H C 2.377 177.685 175.328 -0.035 0.000 1.087 410 H CA 2.085 58.075 56.048 -0.096 0.000 1.291 410 H CB -0.007 29.631 29.762 -0.207 0.000 1.369 410 H HN 0.133 nan 8.280 nan 0.000 0.492 411 S N -0.482 115.197 115.700 -0.036 0.000 2.368 411 S HA -0.134 4.341 4.470 0.009 0.000 0.225 411 S C 1.987 176.549 174.600 -0.065 0.000 1.030 411 S CA 1.342 59.501 58.200 -0.069 0.000 0.999 411 S CB -0.474 62.759 63.200 0.054 0.000 0.844 411 S HN 0.380 nan 8.310 nan 0.000 0.459 412 F N 1.792 121.676 119.950 -0.110 0.000 2.146 412 F HA -0.106 4.426 4.527 0.008 0.000 0.298 412 F C 2.777 178.516 175.800 -0.101 0.000 1.096 412 F CA 1.053 59.010 58.000 -0.073 0.000 1.275 412 F CB -0.294 38.686 39.000 -0.033 0.000 1.008 412 F HN 0.189 nan 8.300 nan 0.000 0.480 413 Q N -0.217 119.610 119.800 0.045 0.000 2.084 413 Q HA -0.204 4.141 4.340 0.009 0.000 0.202 413 Q C 2.282 178.210 176.000 -0.119 0.000 0.978 413 Q CA 1.094 56.871 55.803 -0.043 0.000 0.844 413 Q CB -0.355 28.348 28.738 -0.059 0.000 0.898 413 Q HN 0.335 nan 8.270 nan 0.000 0.426 414 L N 0.568 121.660 121.223 -0.220 0.000 2.017 414 L HA -0.096 4.250 4.340 0.009 0.000 0.208 414 L C 1.857 178.631 176.870 -0.159 0.000 1.073 414 L CA 2.058 56.755 54.840 -0.238 0.000 0.745 414 L CB -1.074 40.759 42.059 -0.377 0.000 0.894 414 L HN 0.167 nan 8.230 nan 0.000 0.432 415 A N -0.822 121.898 122.820 -0.166 0.000 2.252 415 A HA -0.043 4.282 4.320 0.009 0.000 0.207 415 A C 1.053 178.563 177.584 -0.123 0.000 1.194 415 A CA 0.135 52.079 52.037 -0.155 0.000 0.809 415 A CB -0.475 18.392 19.000 -0.223 0.000 0.814 415 A HN 0.538 nan 8.150 nan 0.000 0.482 416 K N -1.042 119.300 120.400 -0.097 0.000 3.077 416 K HA -0.138 4.187 4.320 0.009 0.000 0.264 416 K C -0.727 175.839 176.600 -0.058 0.000 1.008 416 K CA 0.680 56.925 56.287 -0.070 0.000 0.740 416 K CB -1.921 30.539 32.500 -0.066 0.000 1.273 416 K HN 0.285 nan 8.250 nan 0.000 0.477 417 V N 0.735 120.625 119.914 -0.041 0.000 2.581 417 V HA 0.180 4.305 4.120 0.009 0.000 0.303 417 V C 0.758 176.927 176.094 0.125 0.000 1.041 417 V CA -0.770 61.538 62.300 0.014 0.000 0.907 417 V CB 2.063 33.835 31.823 -0.084 0.000 0.994 417 V HN 0.216 nan 8.190 nan 0.000 0.442 418 T N 5.692 120.292 114.554 0.076 0.000 2.902 418 T HA 0.464 4.820 4.350 0.009 0.000 0.301 418 T C -0.314 174.445 174.700 0.099 0.000 1.012 418 T CA 0.751 62.822 62.100 -0.047 0.000 1.151 418 T CB 0.035 68.741 68.868 -0.271 0.000 0.946 418 T HN 0.536 nan 8.240 nan 0.000 0.542 419 I N 2.919 123.479 120.570 -0.016 0.000 2.908 419 I HA 0.651 4.826 4.170 0.009 0.000 0.300 419 I C -1.676 174.441 176.117 0.000 0.000 1.385 419 I CA -0.826 60.491 61.300 0.029 0.000 1.004 419 I CB 2.035 39.988 38.000 -0.078 0.000 1.309 419 I HN 0.431 nan 8.210 nan 0.000 0.449 420 V N 5.526 125.496 119.914 0.093 0.000 2.686 420 V HA 0.539 4.664 4.120 0.009 0.000 0.306 420 V C -1.228 174.909 176.094 0.071 0.000 1.065 420 V CA -0.276 62.086 62.300 0.104 0.000 0.894 420 V CB 2.024 33.994 31.823 0.244 0.000 1.004 420 V HN 0.915 nan 8.190 nan 0.000 0.424 421 D N 4.249 124.668 120.400 0.032 0.000 2.360 421 D HA 0.148 4.794 4.640 0.009 0.000 0.242 421 D C 1.317 177.607 176.300 -0.016 0.000 1.184 421 D CA 0.270 54.275 54.000 0.009 0.000 0.930 421 D CB 0.420 41.196 40.800 -0.040 0.000 1.161 421 D HN 0.740 nan 8.370 nan 0.000 0.447 422 H N -0.304 118.686 119.070 -0.133 0.000 2.489 422 H HA -0.131 4.430 4.556 0.009 0.000 0.293 422 H C 0.920 176.120 175.328 -0.213 0.000 1.066 422 H CA 1.259 57.188 56.048 -0.198 0.000 1.305 422 H CB -0.501 29.087 29.762 -0.291 0.000 1.386 422 H HN 0.513 nan 8.280 nan 0.000 0.551 423 H N 1.195 120.066 119.070 -0.333 0.000 2.294 423 H HA 0.160 4.721 4.556 0.009 0.000 0.306 423 H C 2.581 177.884 175.328 -0.041 0.000 1.065 423 H CA 1.263 57.208 56.048 -0.172 0.000 1.343 423 H CB -0.404 29.222 29.762 -0.227 0.000 1.396 423 H HN 0.471 nan 8.280 nan 0.000 0.506 424 A N 1.707 124.577 122.820 0.083 0.000 1.873 424 A HA -0.192 4.133 4.320 0.009 0.000 0.218 424 A C 2.721 180.372 177.584 0.111 0.000 1.193 424 A CA 2.301 54.390 52.037 0.087 0.000 0.629 424 A CB -1.089 17.953 19.000 0.070 0.000 0.826 424 A HN 0.453 nan 8.150 nan 0.000 0.447 425 A N -0.327 122.558 122.820 0.108 0.000 1.873 425 A HA -0.205 4.121 4.320 0.009 0.000 0.218 425 A C 2.500 180.179 177.584 0.159 0.000 1.193 425 A CA 3.228 55.348 52.037 0.139 0.000 0.629 425 A CB -1.691 17.377 19.000 0.114 0.000 0.826 425 A HN 0.879 nan 8.150 nan 0.000 0.447 426 T N -2.381 112.249 114.554 0.127 0.000 2.746 426 T HA -0.116 4.239 4.350 0.009 0.000 0.267 426 T C 1.702 176.533 174.700 0.219 0.000 1.039 426 T CA 1.517 63.719 62.100 0.171 0.000 1.142 426 T CB -0.933 68.002 68.868 0.113 0.000 0.866 426 T HN 0.088 nan 8.240 nan 0.000 0.444 427 V N 2.862 122.877 119.914 0.168 0.000 2.287 427 V HA -0.198 3.927 4.120 0.009 0.000 0.248 427 V C 3.230 179.414 176.094 0.150 0.000 1.053 427 V CA 2.203 64.593 62.300 0.149 0.000 1.027 427 V CB -1.114 30.778 31.823 0.115 0.000 0.646 427 V HN 0.815 nan 8.190 nan 0.000 0.447 428 S N -0.210 115.587 115.700 0.162 0.000 2.399 428 S HA -0.232 4.243 4.470 0.009 0.000 0.231 428 S C 1.950 176.666 174.600 0.194 0.000 1.022 428 S CA 1.635 59.930 58.200 0.159 0.000 0.983 428 S CB -0.745 62.554 63.200 0.165 0.000 0.803 428 S HN 0.531 nan 8.310 nan 0.000 0.480 429 F N 1.958 121.970 119.950 0.103 0.000 2.234 429 F HA 0.152 4.684 4.527 0.008 0.000 0.299 429 F C 2.175 178.064 175.800 0.148 0.000 1.087 429 F CA 0.993 59.068 58.000 0.124 0.000 1.340 429 F CB -0.296 38.756 39.000 0.086 0.000 1.031 429 F HN 0.106 nan 8.300 nan 0.000 0.500 430 M N 0.083 119.735 119.600 0.087 0.000 2.175 430 M HA -0.147 4.339 4.480 0.009 0.000 0.264 430 M C 2.180 178.447 176.300 -0.056 0.000 1.063 430 M CA 1.390 56.693 55.300 0.004 0.000 1.119 430 M CB -1.182 31.476 32.600 0.096 0.000 1.377 430 M HN 0.059 nan 8.290 nan 0.000 0.415 431 K N -0.315 120.085 120.400 0.001 0.000 2.097 431 K HA -0.192 4.133 4.320 0.009 0.000 0.205 431 K C 1.961 178.540 176.600 -0.035 0.000 1.050 431 K CA 1.643 57.930 56.287 -0.001 0.000 0.938 431 K CB -0.564 31.960 32.500 0.041 0.000 0.718 431 K HN 0.384 nan 8.250 nan 0.000 0.442 432 H N 0.001 118.974 119.070 -0.161 0.000 2.353 432 H HA 0.023 4.584 4.556 0.009 0.000 0.300 432 H C 1.683 176.842 175.328 -0.283 0.000 1.090 432 H CA 2.099 58.025 56.048 -0.203 0.000 1.327 432 H CB -0.155 29.454 29.762 -0.254 0.000 1.383 432 H HN 0.155 nan 8.280 nan 0.000 0.508 433 L N -0.122 120.797 121.223 -0.507 0.000 2.042 433 L HA -0.174 4.171 4.340 0.009 0.000 0.210 433 L C 2.292 178.996 176.870 -0.276 0.000 1.076 433 L CA 1.806 56.380 54.840 -0.445 0.000 0.749 433 L CB -0.478 41.379 42.059 -0.337 0.000 0.893 433 L HN 0.400 nan 8.230 nan 0.000 0.432 434 D N -0.024 120.262 120.400 -0.191 0.000 2.117 434 D HA -0.183 4.463 4.640 0.009 0.000 0.198 434 D C 1.891 178.116 176.300 -0.125 0.000 0.982 434 D CA 1.244 55.173 54.000 -0.119 0.000 0.828 434 D CB 0.054 40.812 40.800 -0.070 0.000 0.967 434 D HN 0.142 nan 8.370 nan 0.000 0.464 435 N N 0.516 119.130 118.700 -0.143 0.000 2.084 435 N HA -0.123 4.623 4.740 0.009 0.000 0.190 435 N C 1.593 177.012 175.510 -0.152 0.000 1.030 435 N CA 0.892 53.876 53.050 -0.109 0.000 0.849 435 N CB -0.297 38.154 38.487 -0.061 0.000 1.012 435 N HN 0.344 nan 8.380 nan 0.000 0.423 436 E N 0.557 120.584 120.200 -0.289 0.000 2.208 436 E HA -0.145 4.210 4.350 0.009 0.000 0.193 436 E C 1.809 178.304 176.600 -0.176 0.000 0.988 436 E CA 0.461 56.693 56.400 -0.280 0.000 0.828 436 E CB -0.034 29.391 29.700 -0.458 0.000 0.763 436 E HN 0.340 nan 8.360 nan 0.000 0.478 437 Q N 1.569 121.277 119.800 -0.155 0.000 2.084 437 Q HA -0.115 4.230 4.340 0.009 0.000 0.202 437 Q C 1.803 177.754 176.000 -0.082 0.000 0.978 437 Q CA 1.658 57.400 55.803 -0.101 0.000 0.844 437 Q CB 0.043 28.731 28.738 -0.084 0.000 0.898 437 Q HN 0.112 nan 8.270 nan 0.000 0.426 438 K N -0.730 119.624 120.400 -0.076 0.000 2.025 438 K HA -0.005 4.320 4.320 0.009 0.000 0.207 438 K C 2.030 178.598 176.600 -0.053 0.000 1.049 438 K CA 1.096 57.349 56.287 -0.056 0.000 0.933 438 K CB -0.216 32.258 32.500 -0.044 0.000 0.714 438 K HN 0.248 nan 8.250 nan 0.000 0.438 439 A N 1.153 123.938 122.820 -0.057 0.000 1.929 439 A HA -0.075 4.251 4.320 0.009 0.000 0.216 439 A C 1.754 179.305 177.584 -0.056 0.000 1.176 439 A CA 1.188 53.199 52.037 -0.043 0.000 0.628 439 A CB -0.018 18.968 19.000 -0.022 0.000 0.816 439 A HN 0.177 nan 8.150 nan 0.000 0.444 440 R N -2.626 117.827 120.500 -0.079 0.000 2.541 440 R HA 0.257 4.602 4.340 0.009 0.000 0.332 440 R C 0.790 177.042 176.300 -0.080 0.000 0.951 440 R CA 0.500 56.555 56.100 -0.075 0.000 1.136 440 R CB 0.660 30.910 30.300 -0.084 0.000 1.449 440 R HN 0.682 nan 8.270 nan 0.000 0.531 441 G N 1.069 109.817 108.800 -0.088 0.000 2.160 441 G HA2 -0.171 3.795 3.960 0.009 0.000 0.244 441 G HA3 -0.171 3.795 3.960 0.009 0.000 0.244 441 G C 0.215 175.068 174.900 -0.078 0.000 1.022 441 G CA 0.133 45.171 45.100 -0.102 0.000 0.741 441 G HN 0.730 nan 8.290 nan 0.000 0.508 442 G N -2.457 106.313 108.800 -0.051 0.000 2.352 442 G HA2 0.530 4.495 3.960 0.009 0.000 0.302 442 G HA3 0.530 4.495 3.960 0.009 0.000 0.302 442 G C -0.733 174.174 174.900 0.012 0.000 1.370 442 G CA 0.406 45.512 45.100 0.011 0.000 0.918 442 G HN 2.010 nan 8.290 nan 0.000 0.610 443 C N 2.054 121.393 119.300 0.065 0.000 2.833 443 C HA 0.696 5.161 4.460 0.009 0.000 0.383 443 C C -2.528 172.439 174.990 -0.038 0.000 1.058 443 C CA -1.133 57.877 59.018 -0.013 0.000 1.259 443 C CB 1.254 28.928 27.740 -0.110 0.000 1.726 443 C HN 0.737 nan 8.230 nan 0.000 0.484 444 P HA 0.375 nan 4.420 nan 0.000 0.266 444 P C -0.587 176.586 177.300 -0.211 0.000 1.215 444 P CA 0.692 63.377 63.100 -0.693 0.000 0.763 444 P CB 0.924 31.978 31.700 -1.076 0.000 0.806 445 A N 2.926 125.698 122.820 -0.080 0.000 2.455 445 A HA 0.396 4.722 4.320 0.009 0.000 0.300 445 A C -0.913 176.718 177.584 0.078 0.000 1.040 445 A CA -0.588 51.491 52.037 0.070 0.000 0.697 445 A CB 1.323 20.479 19.000 0.260 0.000 1.265 445 A HN 0.451 nan 8.150 nan 0.000 0.407 446 D N 2.089 122.526 120.400 0.061 0.000 2.485 446 D HA 0.108 4.754 4.640 0.009 0.000 0.221 446 D C 0.847 177.278 176.300 0.218 0.000 1.112 446 D CA -0.474 53.597 54.000 0.119 0.000 0.911 446 D CB 0.260 41.069 40.800 0.015 0.000 1.019 446 D HN 0.605 nan 8.370 nan 0.000 0.516 447 W N 4.238 125.580 121.300 0.069 0.000 2.290 447 W HA -0.365 4.300 4.660 0.009 0.000 0.323 447 W C 2.038 178.594 176.519 0.061 0.000 1.260 447 W CA 2.784 60.157 57.345 0.047 0.000 1.266 447 W CB -0.135 29.329 29.460 0.006 0.000 1.149 447 W HN 0.546 nan 8.180 nan 0.000 0.482 448 A N -1.395 121.694 122.820 0.447 0.000 2.024 448 A HA -0.222 4.104 4.320 0.009 0.000 0.220 448 A C 1.514 179.141 177.584 0.070 0.000 1.164 448 A CA 1.723 53.922 52.037 0.270 0.000 0.643 448 A CB -1.336 17.860 19.000 0.326 0.000 0.806 448 A HN 0.559 nan 8.150 nan 0.000 0.451 449 W N -0.899 120.366 121.300 -0.059 0.000 2.812 449 W HA 0.184 4.849 4.660 0.008 0.000 0.263 449 W C 1.836 178.238 176.519 -0.195 0.000 1.284 449 W CA -0.038 57.250 57.345 -0.094 0.000 1.430 449 W CB 0.002 29.435 29.460 -0.045 0.000 1.088 449 W HN 0.154 nan 8.180 nan 0.000 0.623 450 I N -0.385 120.138 120.570 -0.079 0.000 2.333 450 I HA -0.054 4.122 4.170 0.009 0.000 0.246 450 I C 0.693 176.606 176.117 -0.340 0.000 1.106 450 I CA 0.724 61.850 61.300 -0.291 0.000 1.411 450 I CB -1.422 36.333 38.000 -0.408 0.000 1.082 450 I HN -0.422 nan 8.210 nan 0.000 0.420 451 V N 3.935 123.559 119.914 -0.482 0.000 2.521 451 V HA 0.074 4.199 4.120 0.009 0.000 0.286 451 V C -1.911 174.008 176.094 -0.292 0.000 1.034 451 V CA -0.997 61.021 62.300 -0.470 0.000 1.045 451 V CB 0.151 31.479 31.823 -0.825 0.000 0.974 451 V HN 0.126 nan 8.190 nan 0.000 0.480 452 P HA 0.112 nan 4.420 nan 0.000 0.268 452 P C -1.753 175.416 177.300 -0.219 0.000 1.208 452 P CA -1.066 61.909 63.100 -0.208 0.000 0.777 452 P CB 0.062 31.640 31.700 -0.202 0.000 0.875 453 P HA -0.043 nan 4.420 nan 0.000 0.226 453 P C 0.221 177.404 177.300 -0.195 0.000 1.153 453 P CA 1.267 64.245 63.100 -0.204 0.000 0.777 453 P CB 0.016 31.591 31.700 -0.209 0.000 0.794 454 I N -6.914 113.500 120.570 -0.260 0.000 2.934 454 I HA 0.460 4.635 4.170 0.009 0.000 0.306 454 I C 0.077 176.064 176.117 -0.217 0.000 1.110 454 I CA -1.293 59.869 61.300 -0.231 0.000 1.019 454 I CB 1.898 39.738 38.000 -0.266 0.000 1.227 454 I HN -0.416 nan 8.210 nan 0.000 0.434 455 S N 2.000 117.631 115.700 -0.114 0.000 3.533 455 S HA -0.205 4.271 4.470 0.009 0.000 0.347 455 S C 1.396 175.960 174.600 -0.059 0.000 1.101 455 S CA 0.842 59.021 58.200 -0.036 0.000 1.009 455 S CB -1.685 61.579 63.200 0.107 0.000 0.916 455 S HN 1.254 nan 8.310 nan 0.000 0.496 456 G N 2.248 110.981 108.800 -0.110 0.000 2.631 456 G HA2 -0.337 3.628 3.960 0.009 0.000 0.219 456 G HA3 -0.337 3.628 3.960 0.009 0.000 0.219 456 G C 1.397 176.143 174.900 -0.258 0.000 1.214 456 G CA 1.536 46.575 45.100 -0.102 0.000 0.785 456 G HN 1.287 nan 8.290 nan 0.000 0.596 457 S N 0.278 115.547 115.700 -0.718 0.000 2.603 457 S HA 0.214 4.689 4.470 0.009 0.000 0.229 457 S C 1.996 176.492 174.600 -0.173 0.000 0.972 457 S CA 0.457 58.088 58.200 -0.949 0.000 0.935 457 S CB -0.114 62.331 63.200 -1.259 0.000 0.769 457 S HN 0.329 nan 8.310 nan 0.000 0.536 458 L N 1.814 123.009 121.223 -0.046 0.000 2.509 458 L HA 0.139 4.484 4.340 0.009 0.000 0.222 458 L C 1.317 178.308 176.870 0.203 0.000 1.123 458 L CA 0.496 55.403 54.840 0.112 0.000 0.856 458 L CB -0.743 41.415 42.059 0.165 0.000 0.985 458 L HN 0.470 nan 8.230 nan 0.000 0.456 459 T N -4.044 110.611 114.554 0.168 0.000 2.929 459 T HA 0.296 4.652 4.350 0.009 0.000 0.284 459 T C -1.610 173.238 174.700 0.246 0.000 1.014 459 T CA -1.992 60.228 62.100 0.201 0.000 1.051 459 T CB 1.865 70.804 68.868 0.119 0.000 1.028 459 T HN -0.188 nan 8.240 nan 0.000 0.485 460 P HA -0.099 nan 4.420 nan 0.000 0.218 460 P C 1.834 179.327 177.300 0.323 0.000 1.149 460 P CA 1.179 64.474 63.100 0.325 0.000 0.817 460 P CB -0.364 31.477 31.700 0.236 0.000 0.785 461 V N -3.373 116.680 119.914 0.233 0.000 2.490 461 V HA -0.221 3.905 4.120 0.009 0.000 0.250 461 V C 2.421 178.616 176.094 0.169 0.000 1.061 461 V CA 1.365 63.783 62.300 0.196 0.000 1.064 461 V CB -2.327 29.550 31.823 0.091 0.000 0.670 461 V HN -0.109 nan 8.190 nan 0.000 0.461 462 F N 1.914 121.821 119.950 -0.072 0.000 2.120 462 F HA -0.213 4.319 4.527 0.009 0.000 0.300 462 F C 2.484 178.397 175.800 0.188 0.000 1.095 462 F CA 2.366 60.338 58.000 -0.046 0.000 1.249 462 F CB -0.280 38.547 39.000 -0.288 0.000 0.995 462 F HN 0.290 nan 8.300 nan 0.000 0.480 463 H N -1.002 118.411 119.070 0.572 0.000 2.539 463 H HA 0.098 4.660 4.556 0.009 0.000 0.267 463 H C 0.282 175.867 175.328 0.428 0.000 0.982 463 H CA 0.266 56.602 56.048 0.479 0.000 1.146 463 H CB -0.290 29.728 29.762 0.427 0.000 1.382 463 H HN 0.265 nan 8.280 nan 0.000 0.577 464 Q N 2.005 122.087 119.800 0.471 0.000 2.340 464 Q HA 0.160 4.506 4.340 0.009 0.000 0.259 464 Q C -0.534 175.702 176.000 0.394 0.000 0.964 464 Q CA -0.431 55.601 55.803 0.382 0.000 0.900 464 Q CB 0.822 29.751 28.738 0.318 0.000 1.228 464 Q HN 0.237 nan 8.270 nan 0.000 0.449 465 E N 3.410 123.789 120.200 0.298 0.000 2.383 465 E HA 0.273 4.629 4.350 0.009 0.000 0.264 465 E C -0.493 176.242 176.600 0.225 0.000 1.050 465 E CA 0.226 56.753 56.400 0.212 0.000 0.896 465 E CB 0.853 30.658 29.700 0.176 0.000 0.982 465 E HN 0.599 nan 8.360 nan 0.000 0.424 466 M N 1.379 121.109 119.600 0.217 0.000 2.501 466 M HA 0.340 4.825 4.480 0.009 0.000 0.293 466 M C -1.272 175.137 176.300 0.182 0.000 1.192 466 M CA -0.930 54.509 55.300 0.232 0.000 0.886 466 M CB 2.485 35.283 32.600 0.330 0.000 1.710 466 M HN 0.154 nan 8.290 nan 0.000 0.457 467 V N 1.775 121.805 119.914 0.194 0.000 2.417 467 V HA 0.413 4.538 4.120 0.009 0.000 0.291 467 V C -0.576 175.651 176.094 0.221 0.000 1.024 467 V CA -0.720 61.722 62.300 0.236 0.000 0.861 467 V CB 1.567 33.577 31.823 0.312 0.000 0.985 467 V HN 0.875 nan 8.190 nan 0.000 0.436 468 N N 3.559 122.373 118.700 0.191 0.000 2.400 468 N HA 0.708 5.453 4.740 0.009 0.000 0.288 468 N C -1.614 173.996 175.510 0.167 0.000 1.024 468 N CA -0.430 52.651 53.050 0.051 0.000 0.894 468 N CB 1.663 40.182 38.487 0.054 0.000 1.173 468 N HN 0.744 nan 8.380 nan 0.000 0.487 469 Y N 1.036 121.353 120.300 0.029 0.000 2.677 469 Y HA 0.455 5.010 4.550 0.009 0.000 0.334 469 Y C -1.488 174.413 175.900 0.001 0.000 1.196 469 Y CA -1.313 56.798 58.100 0.018 0.000 1.059 469 Y CB 0.638 39.114 38.460 0.026 0.000 1.315 469 Y HN 0.117 nan 8.280 nan 0.000 0.455 470 I N 3.933 124.597 120.570 0.156 0.000 2.315 470 I HA 0.390 4.565 4.170 0.009 0.000 0.291 470 I C -0.455 175.727 176.117 0.107 0.000 1.006 470 I CA -0.707 60.630 61.300 0.060 0.000 1.265 470 I CB 0.698 38.719 38.000 0.035 0.000 1.387 470 I HN 0.586 nan 8.210 nan 0.000 0.475 471 L N 4.670 125.923 121.223 0.049 0.000 2.346 471 L HA 0.516 4.861 4.340 0.009 0.000 0.274 471 L C 0.257 177.125 176.870 -0.003 0.000 1.007 471 L CA -0.484 54.391 54.840 0.058 0.000 0.818 471 L CB 2.142 44.238 42.059 0.061 0.000 1.284 471 L HN 0.552 nan 8.230 nan 0.000 0.424 472 S N 2.185 117.894 115.700 0.015 0.000 2.532 472 S HA 0.637 5.112 4.470 0.009 0.000 0.301 472 S C -2.516 172.096 174.600 0.022 0.000 1.083 472 S CA -1.446 56.748 58.200 -0.009 0.000 1.025 472 S CB 1.780 64.991 63.200 0.018 0.000 1.056 472 S HN 0.243 nan 8.310 nan 0.000 0.494 473 P HA 0.399 nan 4.420 nan 0.000 0.269 473 P C -1.220 175.951 177.300 -0.215 0.000 1.211 473 P CA 0.032 63.041 63.100 -0.152 0.000 0.781 473 P CB 0.489 32.053 31.700 -0.227 0.000 0.877 474 A N 0.850 123.495 122.820 -0.292 0.000 2.601 474 A HA 0.645 4.971 4.320 0.009 0.000 0.291 474 A C -1.727 175.613 177.584 -0.407 0.000 1.075 474 A CA -0.517 51.334 52.037 -0.308 0.000 0.671 474 A CB 0.618 19.527 19.000 -0.152 0.000 1.277 474 A HN 0.323 nan 8.150 nan 0.000 0.417 475 F N 1.100 120.956 119.950 -0.158 0.000 2.404 475 F HA 0.631 5.162 4.527 0.008 0.000 0.354 475 F C 0.974 176.656 175.800 -0.197 0.000 1.122 475 F CA 0.043 57.949 58.000 -0.156 0.000 1.080 475 F CB 1.674 40.539 39.000 -0.226 0.000 1.131 475 F HN 0.520 nan 8.300 nan 0.000 0.471 476 R N 1.914 122.424 120.500 0.016 0.000 2.854 476 R HA 0.479 4.824 4.340 0.009 0.000 0.271 476 R C -1.481 174.781 176.300 -0.062 0.000 0.996 476 R CA -1.230 54.812 56.100 -0.097 0.000 0.961 476 R CB 1.591 31.872 30.300 -0.031 0.000 1.182 476 R HN 0.393 nan 8.270 nan 0.000 0.479 477 Y N 1.374 121.694 120.300 0.033 0.000 2.326 477 Y HA 0.133 4.688 4.550 0.009 0.000 0.333 477 Y C 0.603 176.502 175.900 -0.002 0.000 1.240 477 Y CA -0.136 57.974 58.100 0.018 0.000 1.365 477 Y CB 0.857 39.317 38.460 -0.001 0.000 1.289 477 Y HN 0.452 nan 8.280 nan 0.000 0.548 478 Q N 1.633 121.526 119.800 0.156 0.000 2.456 478 Q HA 0.666 5.011 4.340 0.009 0.000 0.283 478 Q C -3.103 172.865 176.000 -0.053 0.000 1.084 478 Q CA -2.511 53.315 55.803 0.037 0.000 0.801 478 Q CB 2.120 30.871 28.738 0.021 0.000 1.434 478 Q HN 0.273 nan 8.270 nan 0.000 0.419 479 P HA 0.078 nan 4.420 nan 0.000 0.272 479 P C -0.940 176.146 177.300 -0.357 0.000 1.223 479 P CA -0.106 62.870 63.100 -0.207 0.000 0.784 479 P CB 0.432 32.027 31.700 -0.174 0.000 0.923 480 D N 3.151 123.201 120.400 -0.583 0.000 2.414 480 D HA -0.004 4.642 4.640 0.009 0.000 0.242 480 D C -1.022 174.689 176.300 -0.983 0.000 1.129 480 D CA -0.860 52.493 54.000 -1.078 0.000 0.885 480 D CB 0.352 39.993 40.800 -1.931 0.000 1.198 480 D HN 0.297 nan 8.370 nan 0.000 0.437 481 P HA -0.101 nan 4.420 nan 0.000 0.220 481 P C 0.478 177.448 177.300 -0.550 0.000 1.148 481 P CA 0.905 63.612 63.100 -0.655 0.000 0.803 481 P CB 0.107 31.406 31.700 -0.668 0.000 0.782 482 W N 0.000 120.877 121.300 -0.705 0.000 2.388 482 W HA 0.000 4.665 4.660 0.008 0.000 0.303 482 W CA 0.000 57.100 57.345 -0.408 0.000 1.226 482 W CB 0.000 29.198 29.460 -0.437 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535