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 1dmj_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 0.008 0.000 0.244 67 G C 0.000 174.849 174.900 -0.085 0.000 0.946 67 G CA 0.000 45.088 45.100 -0.020 0.000 0.502 68 P HA 0.274 nan 4.420 nan 0.000 0.269 68 P C 0.066 177.332 177.300 -0.057 0.000 1.209 68 P CA -0.190 62.778 63.100 -0.219 0.000 0.776 68 P CB 0.996 32.335 31.700 -0.602 0.000 0.876 69 K N 2.043 122.364 120.400 -0.133 0.000 2.630 69 K HA 0.057 4.382 4.320 0.008 0.000 0.204 69 K C -0.656 175.643 176.600 -0.501 0.000 1.024 69 K CA 0.162 56.259 56.287 -0.318 0.000 1.157 69 K CB -0.390 31.846 32.500 -0.441 0.000 0.899 69 K HN 0.356 nan 8.250 nan 0.000 0.501 70 F N 0.424 120.412 119.950 0.064 0.000 2.556 70 F HA 0.388 4.921 4.527 0.009 0.000 0.327 70 F C -2.009 173.910 175.800 0.198 0.000 1.059 70 F CA -3.008 55.057 58.000 0.108 0.000 0.953 70 F CB 0.599 39.659 39.000 0.099 0.000 1.227 70 F HN -0.086 nan 8.300 nan 0.000 0.478 71 P HA -0.028 nan 4.420 nan 0.000 0.261 71 P C -0.713 176.663 177.300 0.126 0.000 1.173 71 P CA 0.139 63.343 63.100 0.174 0.000 0.760 71 P CB 0.394 32.174 31.700 0.134 0.000 0.783 72 R N 3.244 123.739 120.500 -0.008 0.000 2.229 72 R HA 0.394 4.739 4.340 0.008 0.000 0.328 72 R C -1.214 174.960 176.300 -0.211 0.000 1.009 72 R CA -0.580 55.316 56.100 -0.340 0.000 0.864 72 R CB 0.552 30.686 30.300 -0.277 0.000 1.085 72 R HN 0.226 nan 8.270 nan 0.000 0.453 73 V N 5.167 124.929 119.914 -0.254 0.000 2.417 73 V HA 0.360 4.485 4.120 0.008 0.000 0.291 73 V C -0.176 175.833 176.094 -0.142 0.000 1.024 73 V CA -0.711 61.522 62.300 -0.113 0.000 0.861 73 V CB 1.459 33.258 31.823 -0.040 0.000 0.985 73 V HN 0.698 nan 8.190 nan 0.000 0.436 74 K N 3.836 124.174 120.400 -0.102 0.000 2.259 74 K HA 0.430 4.755 4.320 0.008 0.000 0.252 74 K C -0.716 175.808 176.600 -0.127 0.000 0.936 74 K CA -0.716 55.442 56.287 -0.214 0.000 0.810 74 K CB 1.587 33.813 32.500 -0.457 0.000 1.143 74 K HN 0.708 nan 8.250 nan 0.000 0.427 75 N N 4.066 122.681 118.700 -0.142 0.000 2.469 75 N HA 0.103 4.848 4.740 0.008 0.000 0.253 75 N C -0.304 175.180 175.510 -0.042 0.000 0.970 75 N CA -0.364 52.706 53.050 0.034 0.000 0.940 75 N CB 0.486 39.010 38.487 0.061 0.000 1.128 75 N HN 0.669 nan 8.380 nan 0.000 0.503 76 W N 2.105 123.486 121.300 0.136 0.000 2.800 76 W HA 0.111 4.776 4.660 0.008 0.000 0.249 76 W C 2.048 178.612 176.519 0.076 0.000 1.294 76 W CA -0.078 57.335 57.345 0.114 0.000 1.402 76 W CB 0.253 29.803 29.460 0.151 0.000 1.126 76 W HN 0.659 nan 8.180 nan 0.000 0.652 77 E N 0.436 120.773 120.200 0.228 0.000 2.060 77 E HA -0.105 4.250 4.350 0.008 0.000 0.189 77 E C 1.761 178.385 176.600 0.040 0.000 0.974 77 E CA 0.975 57.405 56.400 0.050 0.000 0.808 77 E CB -0.212 29.473 29.700 -0.025 0.000 0.768 77 E HN 0.256 nan 8.360 nan 0.000 0.453 78 L N -0.849 120.399 121.223 0.042 0.000 2.513 78 L HA 0.277 4.622 4.340 0.008 0.000 0.222 78 L C 1.602 178.455 176.870 -0.027 0.000 1.096 78 L CA 0.477 55.323 54.840 0.009 0.000 0.857 78 L CB 0.430 42.498 42.059 0.015 0.000 1.026 78 L HN 0.441 nan 8.230 nan 0.000 0.469 79 G N 0.407 109.166 108.800 -0.067 0.000 2.184 79 G HA2 -0.316 3.649 3.960 0.008 0.000 0.264 79 G HA3 -0.316 3.649 3.960 0.008 0.000 0.264 79 G C 0.420 175.228 174.900 -0.154 0.000 0.975 79 G CA 0.456 45.468 45.100 -0.146 0.000 0.642 79 G HN 0.459 nan 8.290 nan 0.000 0.536 80 S N 0.151 115.786 115.700 -0.108 0.000 2.592 80 S HA 0.755 5.230 4.470 0.008 0.000 0.271 80 S C 0.225 174.747 174.600 -0.130 0.000 1.326 80 S CA -0.537 57.608 58.200 -0.092 0.000 1.024 80 S CB 1.938 65.108 63.200 -0.050 0.000 0.921 80 S HN 0.455 nan 8.310 nan 0.000 0.527 81 I N 1.838 122.339 120.570 -0.115 0.000 2.646 81 I HA 0.619 4.794 4.170 0.008 0.000 0.299 81 I C 0.252 176.289 176.117 -0.133 0.000 1.036 81 I CA -0.266 60.937 61.300 -0.161 0.000 1.074 81 I CB 1.766 39.665 38.000 -0.168 0.000 1.258 81 I HN 1.068 nan 8.210 nan 0.000 0.430 82 T N 1.307 115.732 114.554 -0.215 0.000 2.843 82 T HA 0.674 5.029 4.350 0.008 0.000 0.302 82 T C -1.476 173.044 174.700 -0.299 0.000 1.232 82 T CA -0.710 61.313 62.100 -0.129 0.000 1.009 82 T CB 1.877 70.711 68.868 -0.057 0.000 1.254 82 T HN 0.267 nan 8.240 nan 0.000 0.504 83 Y N 0.292 120.586 120.300 -0.011 0.000 2.376 83 Y HA 0.504 5.059 4.550 0.008 0.000 0.340 83 Y C -0.097 175.784 175.900 -0.031 0.000 0.965 83 Y CA -0.941 57.166 58.100 0.012 0.000 1.078 83 Y CB 1.798 40.275 38.460 0.029 0.000 1.193 83 Y HN 0.732 nan 8.280 nan 0.000 0.452 84 D N 2.022 122.501 120.400 0.132 0.000 2.380 84 D HA 0.085 4.730 4.640 0.008 0.000 0.230 84 D C 0.730 177.019 176.300 -0.019 0.000 1.154 84 D CA 0.126 54.162 54.000 0.059 0.000 0.859 84 D CB 1.260 42.127 40.800 0.113 0.000 1.045 84 D HN 0.804 nan 8.370 nan 0.000 0.495 85 T N 1.141 115.559 114.554 -0.227 0.000 3.037 85 T HA -0.070 4.285 4.350 0.008 0.000 0.252 85 T C 1.893 176.458 174.700 -0.224 0.000 1.073 85 T CA -0.196 61.602 62.100 -0.503 0.000 1.091 85 T CB 0.054 68.445 68.868 -0.795 0.000 0.935 85 T HN 0.262 nan 8.240 nan 0.000 0.488 86 L N 2.553 123.683 121.223 -0.154 0.000 2.131 86 L HA 0.012 4.357 4.340 0.008 0.000 0.210 86 L C 2.609 179.317 176.870 -0.270 0.000 1.092 86 L CA 1.313 56.085 54.840 -0.113 0.000 0.759 86 L CB -1.046 41.024 42.059 0.019 0.000 0.903 86 L HN 0.676 nan 8.230 nan 0.000 0.435 87 C N -1.531 117.429 119.300 -0.566 0.000 2.422 87 C HA 0.098 4.563 4.460 0.008 0.000 0.286 87 C C 2.731 177.494 174.990 -0.378 0.000 1.412 87 C CA 0.136 58.539 59.018 -1.024 0.000 1.786 87 C CB -2.258 24.895 27.740 -0.978 0.000 1.835 87 C HN 0.580 nan 8.230 nan 0.000 0.533 88 A N -0.005 122.733 122.820 -0.136 0.000 2.119 88 A HA -0.042 4.283 4.320 0.008 0.000 0.217 88 A C 2.244 179.815 177.584 -0.023 0.000 1.153 88 A CA 1.215 53.250 52.037 -0.003 0.000 0.692 88 A CB -0.380 18.709 19.000 0.150 0.000 0.799 88 A HN 0.673 nan 8.150 nan 0.000 0.458 89 Q N -0.027 119.742 119.800 -0.052 0.000 2.424 89 Q HA 0.088 4.433 4.340 0.008 0.000 0.204 89 Q C 0.843 176.850 176.000 0.012 0.000 0.933 89 Q CA 0.310 56.109 55.803 -0.007 0.000 0.929 89 Q CB -0.393 28.349 28.738 0.006 0.000 1.037 89 Q HN 0.504 nan 8.270 nan 0.000 0.511 90 S N 1.167 116.860 115.700 -0.011 0.000 2.537 90 S HA -0.005 4.470 4.470 0.008 0.000 0.286 90 S C 0.780 175.404 174.600 0.039 0.000 1.299 90 S CA 0.143 58.371 58.200 0.047 0.000 1.067 90 S CB 0.428 63.662 63.200 0.058 0.000 0.864 90 S HN 0.106 nan 8.310 nan 0.000 0.494 91 Q N 2.060 121.891 119.800 0.052 0.000 2.164 91 Q HA 0.232 4.577 4.340 0.008 0.000 0.226 91 Q C -0.401 175.623 176.000 0.041 0.000 0.813 91 Q CA -0.004 55.825 55.803 0.042 0.000 0.978 91 Q CB 0.739 29.505 28.738 0.045 0.000 1.149 91 Q HN 0.767 nan 8.270 nan 0.000 0.489 92 Q N 1.387 121.216 119.800 0.048 0.000 2.330 92 Q HA 0.269 4.614 4.340 0.008 0.000 0.269 92 Q C -1.314 174.714 176.000 0.048 0.000 1.022 92 Q CA -0.295 55.533 55.803 0.042 0.000 0.796 92 Q CB 1.185 29.945 28.738 0.037 0.000 1.271 92 Q HN -0.157 nan 8.270 nan 0.000 0.450 93 D N 2.409 122.832 120.400 0.039 0.000 2.372 93 D HA 0.361 5.006 4.640 0.008 0.000 0.243 93 D C 0.261 176.586 176.300 0.043 0.000 1.121 93 D CA 0.412 54.437 54.000 0.041 0.000 0.898 93 D CB 1.180 41.998 40.800 0.031 0.000 1.202 93 D HN 0.693 nan 8.370 nan 0.000 0.428 94 G N 0.681 109.511 108.800 0.050 0.000 2.531 94 G HA2 0.360 4.325 3.960 0.008 0.000 0.281 94 G HA3 0.360 4.325 3.960 0.008 0.000 0.281 94 G C -1.695 173.229 174.900 0.040 0.000 1.382 94 G CA -0.642 44.487 45.100 0.048 0.000 1.045 94 G HN 0.360 nan 8.290 nan 0.000 0.533 95 P HA 0.212 nan 4.420 nan 0.000 0.261 95 P C 0.075 177.395 177.300 0.034 0.000 1.268 95 P CA -0.103 63.019 63.100 0.035 0.000 0.833 95 P CB 0.185 31.908 31.700 0.038 0.000 1.231 96 C N 0.596 119.919 119.300 0.037 0.000 2.382 96 C HA 0.703 5.168 4.460 0.008 0.000 0.363 96 C C 0.940 175.947 174.990 0.028 0.000 1.213 96 C CA 0.134 59.172 59.018 0.033 0.000 2.363 96 C CB 1.299 29.062 27.740 0.038 0.000 2.397 96 C HN 0.354 nan 8.230 nan 0.000 0.573 97 T N -1.791 112.777 114.554 0.023 0.000 2.816 97 T HA 0.422 4.777 4.350 0.008 0.000 0.299 97 T C -2.530 172.179 174.700 0.015 0.000 1.230 97 T CA -1.055 61.056 62.100 0.018 0.000 1.007 97 T CB 1.197 70.074 68.868 0.014 0.000 1.289 97 T HN 0.261 nan 8.240 nan 0.000 0.508 98 P HA 0.014 nan 4.420 nan 0.000 0.221 98 P C 1.496 178.801 177.300 0.007 0.000 1.145 98 P CA 0.555 63.661 63.100 0.009 0.000 0.795 98 P CB 0.157 31.860 31.700 0.006 0.000 0.775 99 R N -0.299 120.206 120.500 0.008 0.000 2.093 99 R HA 0.078 4.423 4.340 0.008 0.000 0.224 99 R C 1.188 177.492 176.300 0.007 0.000 1.101 99 R CA 1.085 57.189 56.100 0.006 0.000 0.979 99 R CB -0.497 29.807 30.300 0.006 0.000 0.877 99 R HN 0.304 nan 8.270 nan 0.000 0.441 100 R N -0.627 119.878 120.500 0.009 0.000 2.629 100 R HA 0.185 4.530 4.340 0.008 0.000 0.266 100 R C -1.370 174.938 176.300 0.014 0.000 1.051 100 R CA -0.675 55.431 56.100 0.010 0.000 0.895 100 R CB 0.270 30.576 30.300 0.010 0.000 1.246 100 R HN 0.007 nan 8.270 nan 0.000 0.459 101 C N 3.422 122.730 119.300 0.013 0.000 2.347 101 C HA 0.532 4.996 4.460 0.008 0.000 0.353 101 C C 0.373 175.378 174.990 0.025 0.000 1.273 101 C CA -0.533 58.496 59.018 0.019 0.000 1.861 101 C CB -0.607 27.140 27.740 0.011 0.000 2.420 101 C HN 0.673 nan 8.230 nan 0.000 0.542 102 L N 5.950 127.193 121.223 0.034 0.000 3.066 102 L HA 0.350 4.695 4.340 0.008 0.000 0.265 102 L C 1.981 178.884 176.870 0.055 0.000 1.232 102 L CA 0.725 55.590 54.840 0.041 0.000 1.031 102 L CB -0.092 41.989 42.059 0.037 0.000 1.379 102 L HN 1.025 nan 8.230 nan 0.000 0.563 103 G N -0.685 108.150 108.800 0.057 0.000 2.470 103 G HA2 -0.249 3.716 3.960 0.008 0.000 0.220 103 G HA3 -0.249 3.716 3.960 0.008 0.000 0.220 103 G C 1.445 176.411 174.900 0.112 0.000 1.121 103 G CA 1.087 46.232 45.100 0.076 0.000 0.766 103 G HN 0.518 nan 8.290 nan 0.000 0.553 104 S N -0.318 115.448 115.700 0.110 0.000 2.575 104 S HA 0.340 4.814 4.470 0.008 0.000 0.215 104 S C 0.809 175.507 174.600 0.164 0.000 0.966 104 S CA -0.529 57.761 58.200 0.151 0.000 0.911 104 S CB -0.123 63.146 63.200 0.115 0.000 0.780 104 S HN 0.150 nan 8.310 nan 0.000 0.514 105 L N 2.038 123.339 121.223 0.130 0.000 2.367 105 L HA 0.245 4.590 4.340 0.008 0.000 0.275 105 L C 1.460 178.432 176.870 0.170 0.000 1.129 105 L CA -0.551 54.363 54.840 0.123 0.000 0.839 105 L CB 0.951 43.059 42.059 0.081 0.000 1.133 105 L HN 0.028 nan 8.230 nan 0.000 0.453 106 V N 4.548 124.582 119.914 0.201 0.000 2.270 106 V HA -0.188 3.937 4.120 0.008 0.000 0.245 106 V C 1.097 177.279 176.094 0.147 0.000 1.043 106 V CA 1.483 63.947 62.300 0.274 0.000 1.014 106 V CB -0.215 31.774 31.823 0.276 0.000 0.645 106 V HN 0.570 nan 8.190 nan 0.000 0.447 107 L N 1.433 122.691 121.223 0.058 0.000 2.581 107 L HA 0.389 4.734 4.340 0.008 0.000 0.241 107 L C -2.593 174.295 176.870 0.031 0.000 1.265 107 L CA -1.321 53.518 54.840 -0.001 0.000 0.954 107 L CB 0.586 42.570 42.059 -0.126 0.000 1.269 107 L HN 0.230 nan 8.230 nan 0.000 0.475 108 P HA 0.218 nan 4.420 nan 0.000 0.279 108 P C -0.160 177.166 177.300 0.044 0.000 1.239 108 P CA -0.607 62.522 63.100 0.047 0.000 0.789 108 P CB 0.682 32.413 31.700 0.052 0.000 0.933 109 R N 3.276 123.794 120.500 0.030 0.000 4.154 109 R HA 0.128 4.473 4.340 0.008 0.000 0.186 109 R C 0.462 176.778 176.300 0.026 0.000 1.750 109 R CA 0.275 56.390 56.100 0.025 0.000 1.431 109 R CB -0.482 29.826 30.300 0.013 0.000 1.383 109 R HN 0.404 nan 8.270 nan 0.000 0.788 110 K N -0.093 120.328 120.400 0.035 0.000 2.639 110 K HA 0.247 4.572 4.320 0.008 0.000 0.242 110 K C 1.913 178.532 176.600 0.031 0.000 1.386 110 K CA -0.202 56.102 56.287 0.030 0.000 0.780 110 K CB -0.752 31.766 32.500 0.031 0.000 1.790 110 K HN 0.080 nan 8.250 nan 0.000 0.369 111 L N 1.879 123.123 121.223 0.035 0.000 2.010 111 L HA -0.221 4.124 4.340 0.008 0.000 0.219 111 L C 0.749 177.643 176.870 0.040 0.000 1.077 111 L CA 1.130 55.987 54.840 0.029 0.000 0.773 111 L CB -0.635 41.436 42.059 0.020 0.000 0.892 111 L HN 0.426 nan 8.230 nan 0.000 0.436 112 Q N 1.655 121.496 119.800 0.068 0.000 4.078 112 Q HA -0.187 4.157 4.340 0.008 0.000 0.380 112 Q C 0.194 176.216 176.000 0.036 0.000 1.164 112 Q CA 0.859 56.704 55.803 0.069 0.000 1.246 112 Q CB -0.346 28.419 28.738 0.044 0.000 1.084 112 Q HN 0.429 nan 8.270 nan 0.000 0.492 113 T N 2.177 116.754 114.554 0.039 0.000 4.219 113 T HA 0.262 4.617 4.350 0.008 0.000 0.263 113 T C 0.217 174.916 174.700 -0.002 0.000 1.217 113 T CA -0.705 61.404 62.100 0.015 0.000 1.145 113 T CB -0.006 68.872 68.868 0.017 0.000 1.298 113 T HN 0.432 nan 8.240 nan 0.000 0.999 114 R N 2.785 123.279 120.500 -0.009 0.000 2.623 114 R HA 0.259 4.604 4.340 0.008 0.000 0.271 114 R C -2.430 173.853 176.300 -0.029 0.000 1.043 114 R CA -1.706 54.379 56.100 -0.026 0.000 1.083 114 R CB -0.412 29.874 30.300 -0.023 0.000 0.974 114 R HN 0.295 nan 8.270 nan 0.000 0.436 115 P HA -0.005 nan 4.420 nan 0.000 0.258 115 P C -1.051 176.233 177.300 -0.027 0.000 1.187 115 P CA 0.488 63.566 63.100 -0.037 0.000 0.767 115 P CB 0.533 32.204 31.700 -0.048 0.000 0.770 116 S N 3.358 119.045 115.700 -0.023 0.000 2.497 116 S HA 0.361 4.836 4.470 0.008 0.000 0.176 116 S C -1.644 172.946 174.600 -0.017 0.000 1.445 116 S CA -1.195 56.994 58.200 -0.018 0.000 1.092 116 S CB -0.022 63.168 63.200 -0.015 0.000 1.216 116 S HN 0.165 nan 8.310 nan 0.000 0.486 117 P HA -0.061 nan 4.420 nan 0.000 0.207 117 P C 1.035 178.329 177.300 -0.010 0.000 0.954 117 P CA 1.287 64.380 63.100 -0.013 0.000 0.990 117 P CB -0.708 30.985 31.700 -0.010 0.000 0.721 118 G N 1.268 110.064 108.800 -0.007 0.000 2.163 118 G HA2 0.041 4.006 3.960 0.008 0.000 0.239 118 G HA3 0.041 4.006 3.960 0.008 0.000 0.239 118 G C -2.201 172.696 174.900 -0.005 0.000 1.148 118 G CA -0.500 44.598 45.100 -0.004 0.000 0.880 118 G HN 0.200 nan 8.290 nan 0.000 0.466 119 P HA 0.010 nan 4.420 nan 0.000 0.265 119 P C -1.707 175.592 177.300 -0.002 0.000 1.167 119 P CA -0.318 62.780 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 0.255 nan 4.420 nan 0.000 0.276 120 P C -2.546 174.759 177.300 0.008 0.000 1.244 120 P CA -1.714 61.386 63.100 0.001 0.000 0.801 120 P CB -0.491 31.209 31.700 -0.001 0.000 1.006 121 P HA 0.032 nan 4.420 nan 0.000 0.261 121 P C 0.925 178.234 177.300 0.015 0.000 1.203 121 P CA 0.263 63.370 63.100 0.011 0.000 0.767 121 P CB -0.020 31.686 31.700 0.010 0.000 0.785 122 A N 4.003 126.832 122.820 0.015 0.000 2.093 122 A HA -0.269 4.056 4.320 0.008 0.000 0.222 122 A C 1.885 179.477 177.584 0.015 0.000 1.162 122 A CA 1.800 53.848 52.037 0.018 0.000 0.655 122 A CB -0.562 18.448 19.000 0.016 0.000 0.805 122 A HN 0.467 nan 8.150 nan 0.000 0.461 123 E N -0.738 119.469 120.200 0.012 0.000 2.042 123 E HA -0.121 4.233 4.350 0.008 0.000 0.189 123 E C 2.222 178.830 176.600 0.014 0.000 0.974 123 E CA 1.376 57.782 56.400 0.010 0.000 0.806 123 E CB -0.422 29.283 29.700 0.008 0.000 0.769 123 E HN 0.877 nan 8.360 nan 0.000 0.451 124 Q N 0.590 120.400 119.800 0.017 0.000 2.170 124 Q HA -0.121 4.224 4.340 0.008 0.000 0.203 124 Q C 2.038 178.057 176.000 0.032 0.000 0.976 124 Q CA 1.210 57.027 55.803 0.022 0.000 0.858 124 Q CB -0.235 28.515 28.738 0.019 0.000 0.907 124 Q HN 0.329 nan 8.270 nan 0.000 0.433 125 L N -0.264 120.980 121.223 0.035 0.000 2.044 125 L HA -0.125 4.220 4.340 0.008 0.000 0.205 125 L C 2.260 179.161 176.870 0.052 0.000 1.075 125 L CA 0.808 55.684 54.840 0.059 0.000 0.747 125 L CB -0.319 41.780 42.059 0.067 0.000 0.903 125 L HN 0.430 nan 8.230 nan 0.000 0.435 126 L N 0.117 121.351 121.223 0.018 0.000 2.012 126 L HA -0.223 4.122 4.340 0.008 0.000 0.210 126 L C 2.992 179.858 176.870 -0.006 0.000 1.073 126 L CA 2.408 57.236 54.840 -0.022 0.000 0.748 126 L CB -1.201 40.846 42.059 -0.021 0.000 0.891 126 L HN 0.482 nan 8.230 nan 0.000 0.431 127 S N -1.340 114.369 115.700 0.016 0.000 2.382 127 S HA -0.251 4.224 4.470 0.008 0.000 0.228 127 S C 1.818 176.451 174.600 0.057 0.000 1.027 127 S CA 1.126 59.343 58.200 0.029 0.000 0.991 127 S CB -0.428 62.789 63.200 0.027 0.000 0.823 127 S HN 0.519 nan 8.310 nan 0.000 0.469 128 Q N 1.048 120.889 119.800 0.069 0.000 2.079 128 Q HA 0.059 4.404 4.340 0.008 0.000 0.200 128 Q C 2.652 178.749 176.000 0.162 0.000 0.974 128 Q CA 1.378 57.245 55.803 0.106 0.000 0.840 128 Q CB -0.518 28.277 28.738 0.095 0.000 0.898 128 Q HN 0.773 nan 8.270 nan 0.000 0.430 129 A N 1.254 124.148 122.820 0.123 0.000 1.858 129 A HA -0.201 4.124 4.320 0.008 0.000 0.216 129 A C 1.994 179.643 177.584 0.108 0.000 1.190 129 A CA 1.325 53.422 52.037 0.101 0.000 0.617 129 A CB -0.438 18.375 19.000 -0.311 0.000 0.827 129 A HN 0.210 nan 8.150 nan 0.000 0.443 130 R N -0.572 119.951 120.500 0.039 0.000 2.083 130 R HA -0.199 4.146 4.340 0.008 0.000 0.237 130 R C 2.051 178.423 176.300 0.119 0.000 1.137 130 R CA 1.777 57.912 56.100 0.057 0.000 0.951 130 R CB -0.541 29.773 30.300 0.024 0.000 0.851 130 R HN 0.719 nan 8.270 nan 0.000 0.434 131 D N 0.019 120.498 120.400 0.132 0.000 2.104 131 D HA -0.214 4.431 4.640 0.008 0.000 0.194 131 D C 1.650 178.069 176.300 0.198 0.000 0.994 131 D CA 1.097 55.185 54.000 0.147 0.000 0.830 131 D CB -0.085 40.798 40.800 0.138 0.000 0.959 131 D HN 0.145 nan 8.370 nan 0.000 0.452 132 F N 0.842 120.877 119.950 0.142 0.000 2.134 132 F HA -0.092 4.440 4.527 0.007 0.000 0.299 132 F C 1.937 177.875 175.800 0.230 0.000 1.097 132 F CA 1.041 59.160 58.000 0.199 0.000 1.264 132 F CB -0.246 38.882 39.000 0.213 0.000 1.001 132 F HN 0.000 nan 8.300 nan 0.000 0.479 133 I N 0.932 121.510 120.570 0.014 0.000 2.264 133 I HA -0.303 3.872 4.170 0.008 0.000 0.248 133 I C 1.884 178.011 176.117 0.018 0.000 1.111 133 I CA 1.174 62.477 61.300 0.006 0.000 1.382 133 I CB -1.615 36.501 38.000 0.193 0.000 1.060 133 I HN 0.244 nan 8.210 nan 0.000 0.418 134 N N 0.933 119.669 118.700 0.061 0.000 2.142 134 N HA -0.168 4.577 4.740 0.008 0.000 0.186 134 N C 1.839 177.288 175.510 -0.102 0.000 1.023 134 N CA 1.016 54.087 53.050 0.034 0.000 0.852 134 N CB -0.340 38.227 38.487 0.132 0.000 0.998 134 N HN 0.493 nan 8.380 nan 0.000 0.424 135 Q N -0.568 119.180 119.800 -0.086 0.000 2.084 135 Q HA -0.177 4.168 4.340 0.008 0.000 0.202 135 Q C 1.732 177.505 176.000 -0.378 0.000 0.978 135 Q CA 1.240 57.001 55.803 -0.071 0.000 0.844 135 Q CB -0.249 28.586 28.738 0.162 0.000 0.898 135 Q HN 0.448 nan 8.270 nan 0.000 0.426 136 Y N 0.039 119.873 120.300 -0.777 0.000 2.114 136 Y HA -0.282 4.272 4.550 0.007 0.000 0.284 136 Y C 1.709 177.070 175.900 -0.898 0.000 1.143 136 Y CA 1.564 58.941 58.100 -1.205 0.000 1.135 136 Y CB -0.514 37.310 38.460 -1.059 0.000 0.980 136 Y HN 0.074 nan 8.280 nan 0.000 0.499 137 Y N -0.382 119.479 120.300 -0.732 0.000 2.421 137 Y HA -0.180 4.376 4.550 0.009 0.000 0.292 137 Y C 2.721 178.286 175.900 -0.557 0.000 1.136 137 Y CA 1.608 59.267 58.100 -0.734 0.000 1.255 137 Y CB -0.382 37.537 38.460 -0.902 0.000 0.991 137 Y HN 0.101 nan 8.280 nan 0.000 0.552 138 S N -0.914 114.567 115.700 -0.364 0.000 2.395 138 S HA -0.164 4.311 4.470 0.008 0.000 0.225 138 S C 2.229 176.666 174.600 -0.271 0.000 1.027 138 S CA 1.158 59.220 58.200 -0.230 0.000 0.965 138 S CB -0.451 62.668 63.200 -0.135 0.000 0.812 138 S HN 0.618 nan 8.310 nan 0.000 0.482 139 S N 2.344 117.792 115.700 -0.419 0.000 2.423 139 S HA -0.019 4.455 4.470 0.008 0.000 0.231 139 S C 1.639 176.021 174.600 -0.365 0.000 1.014 139 S CA 0.924 58.917 58.200 -0.345 0.000 0.965 139 S CB -0.739 62.184 63.200 -0.461 0.000 0.785 139 S HN 0.727 nan 8.310 nan 0.000 0.495 140 I N -3.475 116.775 120.570 -0.534 0.000 3.956 140 I HA 0.401 4.576 4.170 0.008 0.000 0.333 140 I C -0.306 175.654 176.117 -0.263 0.000 1.302 140 I CA -0.437 60.609 61.300 -0.425 0.000 1.122 140 I CB 0.001 37.633 38.000 -0.614 0.000 1.013 140 I HN -0.111 nan 8.210 nan 0.000 0.405 141 K N 2.280 122.545 120.400 -0.224 0.000 3.161 141 K HA -0.111 4.213 4.320 0.008 0.000 0.270 141 K C -0.330 176.224 176.600 -0.077 0.000 1.115 141 K CA 0.413 56.625 56.287 -0.125 0.000 0.789 141 K CB -1.685 30.760 32.500 -0.091 0.000 1.256 141 K HN 0.538 nan 8.250 nan 0.000 0.492 142 R N -0.653 119.811 120.500 -0.058 0.000 2.668 142 R HA 0.104 4.449 4.340 0.008 0.000 0.435 142 R C 0.030 176.389 176.300 0.099 0.000 1.059 142 R CA -0.369 55.759 56.100 0.047 0.000 1.073 142 R CB 0.860 31.246 30.300 0.143 0.000 1.401 142 R HN 0.145 nan 8.270 nan 0.000 0.590 143 S N 0.091 115.825 115.700 0.057 0.000 2.481 143 S HA 0.351 4.826 4.470 0.008 0.000 0.282 143 S C 1.282 175.992 174.600 0.182 0.000 1.243 143 S CA 1.326 59.621 58.200 0.159 0.000 1.078 143 S CB 0.233 63.475 63.200 0.069 0.000 0.916 143 S HN 0.762 nan 8.310 nan 0.000 0.495 144 G N 3.296 112.262 108.800 0.277 0.000 2.195 144 G HA2 -0.259 3.706 3.960 0.008 0.000 0.224 144 G HA3 -0.259 3.706 3.960 0.008 0.000 0.224 144 G C 0.290 175.175 174.900 -0.025 0.000 0.990 144 G CA 0.214 45.322 45.100 0.013 0.000 0.639 144 G HN 1.429 nan 8.290 nan 0.000 0.514 145 S N 0.296 116.012 115.700 0.027 0.000 2.617 145 S HA 0.446 4.920 4.470 0.008 0.000 0.259 145 S C 1.746 176.312 174.600 -0.056 0.000 1.301 145 S CA 0.728 58.925 58.200 -0.005 0.000 0.984 145 S CB 1.228 64.448 63.200 0.034 0.000 0.954 145 S HN 0.828 nan 8.310 nan 0.000 0.572 146 Q N 0.860 120.635 119.800 -0.041 0.000 2.119 146 Q HA -0.034 4.311 4.340 0.008 0.000 0.201 146 Q C 2.128 178.090 176.000 -0.064 0.000 0.972 146 Q CA 1.944 57.715 55.803 -0.053 0.000 0.847 146 Q CB -1.535 27.188 28.738 -0.025 0.000 0.903 146 Q HN 0.870 nan 8.270 nan 0.000 0.433 147 A N 1.220 124.019 122.820 -0.034 0.000 1.969 147 A HA -0.211 4.114 4.320 0.008 0.000 0.218 147 A C 2.100 179.536 177.584 -0.246 0.000 1.169 147 A CA 1.501 53.531 52.037 -0.013 0.000 0.635 147 A CB -1.051 18.034 19.000 0.142 0.000 0.810 147 A HN 0.715 nan 8.150 nan 0.000 0.445 148 H N -0.844 117.830 119.070 -0.660 0.000 2.326 148 H HA -0.069 4.492 4.556 0.009 0.000 0.301 148 H C 1.768 176.769 175.328 -0.546 0.000 1.081 148 H CA 1.096 56.428 56.048 -1.194 0.000 1.334 148 H CB 0.155 29.407 29.762 -0.850 0.000 1.385 148 H HN 0.392 nan 8.280 nan 0.000 0.504 149 E N 0.668 120.679 120.200 -0.315 0.000 2.204 149 E HA -0.133 4.222 4.350 0.008 0.000 0.194 149 E C 1.976 178.486 176.600 -0.150 0.000 0.989 149 E CA 0.713 56.952 56.400 -0.269 0.000 0.824 149 E CB 0.013 29.585 29.700 -0.214 0.000 0.756 149 E HN 0.679 nan 8.360 nan 0.000 0.477 150 E N 0.389 120.522 120.200 -0.112 0.000 2.112 150 E HA -0.129 4.226 4.350 0.008 0.000 0.190 150 E C 2.121 178.710 176.600 -0.019 0.000 0.979 150 E CA 0.540 56.911 56.400 -0.049 0.000 0.814 150 E CB 0.067 29.755 29.700 -0.020 0.000 0.762 150 E HN -0.094 nan 8.360 nan 0.000 0.460 151 R N 1.030 121.519 120.500 -0.017 0.000 2.092 151 R HA -0.061 4.284 4.340 0.008 0.000 0.231 151 R C 1.969 178.294 176.300 0.041 0.000 1.119 151 R CA 1.073 57.213 56.100 0.067 0.000 0.970 151 R CB -0.461 29.950 30.300 0.185 0.000 0.864 151 R HN 0.150 nan 8.270 nan 0.000 0.440 152 L N -0.006 121.211 121.223 -0.009 0.000 2.017 152 L HA -0.179 4.166 4.340 0.008 0.000 0.208 152 L C 2.582 179.427 176.870 -0.042 0.000 1.073 152 L CA 1.651 56.474 54.840 -0.029 0.000 0.745 152 L CB -0.450 41.559 42.059 -0.083 0.000 0.894 152 L HN 0.325 nan 8.230 nan 0.000 0.432 153 Q N -0.418 119.356 119.800 -0.044 0.000 2.084 153 Q HA -0.277 4.068 4.340 0.008 0.000 0.202 153 Q C 2.139 178.132 176.000 -0.011 0.000 0.978 153 Q CA 1.757 57.541 55.803 -0.032 0.000 0.844 153 Q CB -0.063 28.656 28.738 -0.032 0.000 0.898 153 Q HN 0.471 nan 8.270 nan 0.000 0.426 154 E N -0.060 120.144 120.200 0.007 0.000 2.150 154 E HA -0.160 4.195 4.350 0.008 0.000 0.193 154 E C 1.861 178.483 176.600 0.037 0.000 0.985 154 E CA 0.920 57.340 56.400 0.034 0.000 0.814 154 E CB 0.243 29.978 29.700 0.059 0.000 0.752 154 E HN 0.124 nan 8.360 nan 0.000 0.466 155 V N 2.245 122.157 119.914 -0.003 0.000 2.323 155 V HA -0.243 3.882 4.120 0.008 0.000 0.244 155 V C 2.287 178.325 176.094 -0.093 0.000 1.041 155 V CA 2.215 64.464 62.300 -0.085 0.000 1.025 155 V CB -0.606 31.063 31.823 -0.256 0.000 0.656 155 V HN 0.435 nan 8.190 nan 0.000 0.451 156 E N 1.321 121.475 120.200 -0.077 0.000 2.204 156 E HA -0.164 4.191 4.350 0.008 0.000 0.194 156 E C 2.144 178.738 176.600 -0.010 0.000 0.989 156 E CA 1.365 57.735 56.400 -0.051 0.000 0.824 156 E CB -0.394 29.279 29.700 -0.045 0.000 0.756 156 E HN 0.533 nan 8.360 nan 0.000 0.477 157 A N 1.924 124.746 122.820 0.003 0.000 1.898 157 A HA -0.201 4.123 4.320 0.008 0.000 0.216 157 A C 2.083 179.693 177.584 0.044 0.000 1.181 157 A CA 1.414 53.464 52.037 0.021 0.000 0.620 157 A CB -0.384 18.631 19.000 0.024 0.000 0.819 157 A HN 0.228 nan 8.150 nan 0.000 0.442 158 E N -0.348 119.892 120.200 0.067 0.000 2.017 158 E HA -0.143 4.212 4.350 0.008 0.000 0.193 158 E C 2.032 178.693 176.600 0.103 0.000 0.997 158 E CA 1.525 57.992 56.400 0.112 0.000 0.804 158 E CB -0.261 29.553 29.700 0.189 0.000 0.757 158 E HN 0.361 nan 8.360 nan 0.000 0.448 159 V N 1.452 121.419 119.914 0.089 0.000 2.469 159 V HA -0.301 3.824 4.120 0.008 0.000 0.251 159 V C 2.338 178.462 176.094 0.049 0.000 1.064 159 V CA 1.700 64.046 62.300 0.076 0.000 1.066 159 V CB -0.839 31.011 31.823 0.046 0.000 0.667 159 V HN 0.324 nan 8.190 nan 0.000 0.461 160 A N 0.830 123.671 122.820 0.035 0.000 1.892 160 A HA -0.260 4.065 4.320 0.008 0.000 0.218 160 A C 2.485 180.088 177.584 0.031 0.000 1.188 160 A CA 2.865 54.917 52.037 0.026 0.000 0.631 160 A CB -0.632 18.380 19.000 0.020 0.000 0.822 160 A HN 0.710 nan 8.150 nan 0.000 0.447 161 S N -1.977 113.748 115.700 0.041 0.000 2.475 161 S HA -0.039 4.436 4.470 0.008 0.000 0.224 161 S C 1.761 176.389 174.600 0.047 0.000 1.042 161 S CA 1.219 59.444 58.200 0.040 0.000 0.935 161 S CB -0.636 62.588 63.200 0.040 0.000 0.801 161 S HN 0.770 nan 8.310 nan 0.000 0.509 162 T N -2.673 111.918 114.554 0.062 0.000 3.037 162 T HA 0.506 4.860 4.350 0.008 0.000 0.252 162 T C 1.740 176.473 174.700 0.055 0.000 1.073 162 T CA 0.900 63.040 62.100 0.066 0.000 1.091 162 T CB -0.086 68.841 68.868 0.098 0.000 0.935 162 T HN 1.134 nan 8.240 nan 0.000 0.488 163 G N 0.224 109.056 108.800 0.054 0.000 2.195 163 G HA2 -0.197 3.768 3.960 0.008 0.000 0.246 163 G HA3 -0.197 3.768 3.960 0.008 0.000 0.246 163 G C 0.225 175.155 174.900 0.051 0.000 0.984 163 G CA 0.499 45.625 45.100 0.043 0.000 0.633 163 G HN 0.983 nan 8.290 nan 0.000 0.525 164 T N -1.203 113.390 114.554 0.065 0.000 2.681 164 T HA 0.731 5.086 4.350 0.008 0.000 0.296 164 T C -1.053 173.729 174.700 0.137 0.000 1.157 164 T CA 0.337 62.472 62.100 0.057 0.000 1.025 164 T CB 1.594 70.411 68.868 -0.086 0.000 1.441 164 T HN 1.423 nan 8.240 nan 0.000 0.504 165 Y N -0.817 119.390 120.300 -0.156 0.000 2.728 165 Y HA 0.850 5.405 4.550 0.008 0.000 0.330 165 Y C -1.409 174.293 175.900 -0.329 0.000 1.234 165 Y CA -1.194 56.851 58.100 -0.092 0.000 1.070 165 Y CB 0.955 39.423 38.460 0.013 0.000 1.300 165 Y HN 0.758 nan 8.280 nan 0.000 0.467 166 H N 0.353 119.430 119.070 0.013 0.000 2.747 166 H HA 0.648 5.208 4.556 0.008 0.000 0.371 166 H C -1.161 174.194 175.328 0.044 0.000 1.161 166 H CA -0.850 55.149 56.048 -0.082 0.000 1.167 166 H CB 2.042 31.809 29.762 0.008 0.000 1.732 166 H HN 0.682 nan 8.280 nan 0.000 0.544 167 L N 1.922 123.215 121.223 0.116 0.000 2.343 167 L HA 0.497 4.842 4.340 0.008 0.000 0.275 167 L C 0.511 177.452 176.870 0.119 0.000 1.056 167 L CA -0.776 54.157 54.840 0.154 0.000 0.804 167 L CB 0.984 43.109 42.059 0.111 0.000 1.203 167 L HN 0.418 nan 8.230 nan 0.000 0.440 168 R N 1.024 121.571 120.500 0.078 0.000 2.679 168 R HA 0.025 4.370 4.340 0.008 0.000 0.269 168 R C 1.125 177.422 176.300 -0.005 0.000 1.076 168 R CA -0.398 55.719 56.100 0.028 0.000 1.160 168 R CB 0.750 31.043 30.300 -0.012 0.000 1.054 168 R HN 0.675 nan 8.270 nan 0.000 0.507 169 E N 1.228 121.426 120.200 -0.003 0.000 2.048 169 E HA -0.298 4.056 4.350 0.008 0.000 0.202 169 E C 1.552 178.140 176.600 -0.021 0.000 1.021 169 E CA 2.506 58.898 56.400 -0.013 0.000 0.825 169 E CB -0.002 29.694 29.700 -0.006 0.000 0.756 169 E HN 0.692 nan 8.360 nan 0.000 0.454 170 S N -0.006 115.679 115.700 -0.024 0.000 2.419 170 S HA -0.166 4.309 4.470 0.008 0.000 0.233 170 S C 1.678 176.257 174.600 -0.034 0.000 1.016 170 S CA 1.348 59.551 58.200 0.005 0.000 0.974 170 S CB -0.297 62.937 63.200 0.057 0.000 0.786 170 S HN 0.354 nan 8.310 nan 0.000 0.492 171 E N 0.632 120.711 120.200 -0.202 0.000 2.152 171 E HA 0.019 4.374 4.350 0.008 0.000 0.192 171 E C 1.943 178.660 176.600 0.195 0.000 0.983 171 E CA 0.817 57.122 56.400 -0.158 0.000 0.818 171 E CB -0.258 29.342 29.700 -0.167 0.000 0.758 171 E HN 0.433 nan 8.360 nan 0.000 0.467 172 L N 0.737 121.990 121.223 0.050 0.000 2.027 172 L HA -0.126 4.219 4.340 0.008 0.000 0.206 172 L C 2.191 179.047 176.870 -0.023 0.000 1.074 172 L CA 1.304 56.117 54.840 -0.044 0.000 0.745 172 L CB -0.306 41.672 42.059 -0.135 0.000 0.898 172 L HN -0.073 nan 8.230 nan 0.000 0.433 173 V N -0.260 119.668 119.914 0.022 0.000 2.332 173 V HA -0.330 3.795 4.120 0.008 0.000 0.248 173 V C 2.349 178.528 176.094 0.142 0.000 1.055 173 V CA 2.255 64.581 62.300 0.043 0.000 1.038 173 V CB -0.950 30.903 31.823 0.050 0.000 0.651 173 V HN 0.585 nan 8.190 nan 0.000 0.450 174 F N 1.961 121.981 119.950 0.116 0.000 2.113 174 F HA 0.002 4.533 4.527 0.007 0.000 0.297 174 F C 2.196 178.127 175.800 0.218 0.000 1.103 174 F CA 1.745 59.867 58.000 0.204 0.000 1.248 174 F CB -0.975 38.206 39.000 0.302 0.000 0.999 174 F HN 0.117 nan 8.300 nan 0.000 0.475 175 G N -0.058 108.795 108.800 0.089 0.000 2.440 175 G HA2 -0.238 3.727 3.960 0.008 0.000 0.218 175 G HA3 -0.238 3.727 3.960 0.008 0.000 0.218 175 G C 1.822 176.567 174.900 -0.258 0.000 1.154 175 G CA 0.937 45.972 45.100 -0.109 0.000 0.767 175 G HN 0.655 nan 8.290 nan 0.000 0.552 176 A N 0.776 123.483 122.820 -0.189 0.000 1.902 176 A HA -0.013 4.312 4.320 0.008 0.000 0.217 176 A C 2.314 179.879 177.584 -0.031 0.000 1.181 176 A CA 1.987 53.920 52.037 -0.174 0.000 0.623 176 A CB -0.359 18.570 19.000 -0.118 0.000 0.818 176 A HN 0.379 nan 8.150 nan 0.000 0.443 177 K N -1.146 119.281 120.400 0.044 0.000 2.097 177 K HA -0.178 4.147 4.320 0.008 0.000 0.205 177 K C 2.365 179.036 176.600 0.118 0.000 1.050 177 K CA 1.555 57.985 56.287 0.239 0.000 0.938 177 K CB -0.118 32.575 32.500 0.323 0.000 0.718 177 K HN 0.461 nan 8.250 nan 0.000 0.442 178 Q N 0.731 120.412 119.800 -0.197 0.000 2.124 178 Q HA -0.084 4.261 4.340 0.008 0.000 0.202 178 Q C 1.845 177.696 176.000 -0.250 0.000 0.977 178 Q CA 1.743 57.323 55.803 -0.372 0.000 0.850 178 Q CB -0.196 28.168 28.738 -0.624 0.000 0.901 178 Q HN 0.326 nan 8.270 nan 0.000 0.429 179 A N -0.534 122.137 122.820 -0.248 0.000 1.902 179 A HA -0.188 4.137 4.320 0.008 0.000 0.217 179 A C 1.831 179.419 177.584 0.006 0.000 1.181 179 A CA 1.489 53.336 52.037 -0.317 0.000 0.623 179 A CB -1.234 17.268 19.000 -0.829 0.000 0.818 179 A HN 0.722 nan 8.150 nan 0.000 0.443 180 W N 0.996 122.287 121.300 -0.016 0.000 2.355 180 W HA -0.124 4.539 4.660 0.006 0.000 0.309 180 W C 2.308 178.807 176.519 -0.035 0.000 1.206 180 W CA 1.522 58.921 57.345 0.089 0.000 1.284 180 W CB -0.718 28.794 29.460 0.087 0.000 1.145 180 W HN 0.369 nan 8.180 nan 0.000 0.502 181 R N 0.341 120.798 120.500 -0.072 0.000 2.105 181 R HA -0.192 4.153 4.340 0.008 0.000 0.239 181 R C 1.561 177.724 176.300 -0.229 0.000 1.135 181 R CA 1.859 57.715 56.100 -0.406 0.000 0.967 181 R CB -0.528 29.260 30.300 -0.853 0.000 0.861 181 R HN 0.090 nan 8.270 nan 0.000 0.442 182 N N 0.266 118.879 118.700 -0.145 0.000 2.412 182 N HA 0.024 4.769 4.740 0.008 0.000 0.184 182 N C -0.357 175.115 175.510 -0.064 0.000 1.101 182 N CA 0.637 53.621 53.050 -0.109 0.000 0.881 182 N CB 0.401 38.822 38.487 -0.109 0.000 0.969 182 N HN 0.170 nan 8.380 nan 0.000 0.459 183 A N 2.066 124.893 122.820 0.011 0.000 2.473 183 A HA 0.206 4.531 4.320 0.008 0.000 0.282 183 A C -1.240 176.325 177.584 -0.032 0.000 1.163 183 A CA -0.868 51.172 52.037 0.006 0.000 0.827 183 A CB 0.253 19.300 19.000 0.080 0.000 1.098 183 A HN 0.020 nan 8.150 nan 0.000 0.515 184 P HA -0.115 nan 4.420 nan 0.000 0.220 184 P C 1.074 178.320 177.300 -0.090 0.000 1.148 184 P CA 1.145 64.183 63.100 -0.103 0.000 0.803 184 P CB 0.165 31.769 31.700 -0.160 0.000 0.782 185 R N -2.271 118.143 120.500 -0.143 0.000 2.317 185 R HA 0.158 4.503 4.340 0.008 0.000 0.208 185 R C 0.226 176.524 176.300 -0.003 0.000 0.914 185 R CA -0.138 55.896 56.100 -0.111 0.000 1.060 185 R CB -0.333 29.732 30.300 -0.392 0.000 1.015 185 R HN 0.174 nan 8.270 nan 0.000 0.498 186 C N 0.520 119.808 119.300 -0.020 0.000 2.285 186 C HA 0.243 4.708 4.460 0.008 0.000 0.335 186 C C 1.806 176.744 174.990 -0.086 0.000 1.267 186 C CA -0.648 58.378 59.018 0.012 0.000 1.762 186 C CB 0.714 28.528 27.740 0.122 0.000 2.365 186 C HN 0.272 nan 8.230 nan 0.000 0.527 187 V N 5.865 125.681 119.914 -0.163 0.000 3.541 187 V HA 0.236 4.361 4.120 0.008 0.000 0.267 187 V C 1.728 177.812 176.094 -0.016 0.000 1.213 187 V CA 1.896 63.985 62.300 -0.352 0.000 1.149 187 V CB -0.012 31.615 31.823 -0.327 0.000 0.822 187 V HN 1.070 nan 8.190 nan 0.000 0.462 188 G N -0.629 108.205 108.800 0.057 0.000 3.448 188 G HA2 0.065 4.030 3.960 0.008 0.000 0.261 188 G HA3 0.065 4.030 3.960 0.008 0.000 0.261 188 G C 1.184 176.133 174.900 0.081 0.000 1.173 188 G CA -0.356 44.800 45.100 0.093 0.000 0.835 188 G HN 0.410 nan 8.290 nan 0.000 0.534 189 R N -0.160 120.317 120.500 -0.038 0.000 2.328 189 R HA 0.112 4.457 4.340 0.008 0.000 0.207 189 R C 1.987 177.903 176.300 -0.639 0.000 1.056 189 R CA 0.175 55.996 56.100 -0.465 0.000 1.016 189 R CB -0.131 29.857 30.300 -0.521 0.000 0.872 189 R HN 0.468 nan 8.270 nan 0.000 0.471 190 I N 0.859 121.221 120.570 -0.347 0.000 2.756 190 I HA -0.233 3.941 4.170 0.008 0.000 0.262 190 I C 1.169 177.211 176.117 -0.126 0.000 1.225 190 I CA 1.240 62.484 61.300 -0.094 0.000 1.472 190 I CB 0.166 38.206 38.000 0.066 0.000 1.094 190 I HN 0.211 nan 8.210 nan 0.000 0.454 191 Q N 0.480 120.142 119.800 -0.230 0.000 2.360 191 Q HA -0.094 4.251 4.340 0.008 0.000 0.202 191 Q C 1.640 177.213 176.000 -0.712 0.000 0.915 191 Q CA 0.344 55.995 55.803 -0.255 0.000 0.943 191 Q CB -0.205 28.547 28.738 0.023 0.000 1.064 191 Q HN 0.790 nan 8.270 nan 0.000 0.511 192 W N 0.421 121.003 121.300 -1.196 0.000 2.313 192 W HA -0.175 4.492 4.660 0.011 0.000 0.293 192 W C 1.117 177.306 176.519 -0.549 0.000 1.216 192 W CA 1.278 57.755 57.345 -1.446 0.000 1.223 192 W CB -1.207 27.638 29.460 -1.024 0.000 1.138 192 W HN 0.074 nan 8.180 nan 0.000 0.535 193 G N 1.069 109.055 108.800 -1.357 0.000 2.572 193 G HA2 -0.168 3.797 3.960 0.008 0.000 0.216 193 G HA3 -0.168 3.797 3.960 0.008 0.000 0.216 193 G C 0.833 175.466 174.900 -0.445 0.000 1.133 193 G CA 0.014 44.414 45.100 -1.166 0.000 0.791 193 G HN 0.216 nan 8.290 nan 0.000 0.538 194 K N 0.355 120.604 120.400 -0.251 0.000 2.357 194 K HA 0.489 4.814 4.320 0.008 0.000 0.251 194 K C -1.687 175.013 176.600 0.168 0.000 1.069 194 K CA -0.617 55.656 56.287 -0.024 0.000 0.994 194 K CB 0.371 32.891 32.500 0.033 0.000 1.411 194 K HN 0.095 nan 8.250 nan 0.000 0.450 195 L N 3.126 124.431 121.223 0.137 0.000 2.438 195 L HA 0.299 4.644 4.340 0.008 0.000 0.270 195 L C -1.260 175.602 176.870 -0.015 0.000 0.972 195 L CA -0.432 54.508 54.840 0.166 0.000 0.831 195 L CB 1.965 44.206 42.059 0.303 0.000 1.273 195 L HN 0.413 nan 8.230 nan 0.000 0.405 196 Q N 3.449 123.179 119.800 -0.117 0.000 2.337 196 Q HA 0.457 4.801 4.340 0.008 0.000 0.255 196 Q C -1.547 174.101 176.000 -0.586 0.000 0.997 196 Q CA -0.059 55.494 55.803 -0.417 0.000 0.925 196 Q CB 1.058 29.428 28.738 -0.612 0.000 1.212 196 Q HN 0.518 nan 8.270 nan 0.000 0.436 197 V N 6.679 126.293 119.914 -0.499 0.000 2.318 197 V HA 0.315 4.439 4.120 0.008 0.000 0.271 197 V C -0.593 175.217 176.094 -0.474 0.000 1.030 197 V CA -0.480 61.584 62.300 -0.392 0.000 0.844 197 V CB -0.188 31.511 31.823 -0.207 0.000 1.015 197 V HN 0.630 nan 8.190 nan 0.000 0.460 198 F N 2.848 122.655 119.950 -0.238 0.000 2.421 198 F HA 0.313 4.843 4.527 0.004 0.000 0.358 198 F C 0.731 176.355 175.800 -0.294 0.000 1.115 198 F CA -0.737 57.114 58.000 -0.249 0.000 1.160 198 F CB 0.601 39.448 39.000 -0.256 0.000 1.123 198 F HN 0.389 nan 8.300 nan 0.000 0.508 199 D N 3.303 123.657 120.400 -0.077 0.000 2.336 199 D HA 0.384 5.029 4.640 0.008 0.000 0.249 199 D C -0.010 176.133 176.300 -0.261 0.000 1.213 199 D CA 0.138 54.038 54.000 -0.166 0.000 0.870 199 D CB 1.185 41.928 40.800 -0.095 0.000 1.076 199 D HN 0.633 nan 8.370 nan 0.000 0.483 200 A N 4.622 127.150 122.820 -0.486 0.000 2.676 200 A HA 0.163 4.487 4.320 0.008 0.000 0.297 200 A C 1.352 178.695 177.584 -0.401 0.000 1.132 200 A CA -0.418 51.144 52.037 -0.793 0.000 0.972 200 A CB 0.088 18.074 19.000 -1.690 0.000 1.197 200 A HN 0.532 nan 8.150 nan 0.000 0.524 201 R N 0.583 120.968 120.500 -0.192 0.000 2.339 201 R HA -0.047 4.298 4.340 0.008 0.000 0.199 201 R C 0.569 176.863 176.300 -0.011 0.000 1.018 201 R CA 1.093 57.157 56.100 -0.060 0.000 1.036 201 R CB 0.104 30.422 30.300 0.031 0.000 0.899 201 R HN 0.668 nan 8.270 nan 0.000 0.473 202 D N -0.945 119.460 120.400 0.009 0.000 2.389 202 D HA -0.059 4.586 4.640 0.008 0.000 0.206 202 D C 0.456 176.839 176.300 0.139 0.000 1.055 202 D CA -0.309 53.740 54.000 0.082 0.000 0.856 202 D CB -0.537 40.326 40.800 0.105 0.000 0.957 202 D HN -0.026 nan 8.370 nan 0.000 0.509 203 C N 2.129 121.516 119.300 0.144 0.000 2.590 203 C HA 0.304 4.768 4.460 0.008 0.000 0.411 203 C C 1.658 176.802 174.990 0.257 0.000 1.420 203 C CA 0.738 59.907 59.018 0.250 0.000 1.643 203 C CB -0.797 27.117 27.740 0.290 0.000 2.528 203 C HN 0.463 nan 8.230 nan 0.000 0.606 204 S N 2.587 118.474 115.700 0.312 0.000 2.780 204 S HA 0.292 4.767 4.470 0.008 0.000 0.248 204 S C 0.009 174.777 174.600 0.280 0.000 1.036 204 S CA 0.212 58.621 58.200 0.349 0.000 1.061 204 S CB -0.170 63.160 63.200 0.216 0.000 1.037 204 S HN 1.208 nan 8.310 nan 0.000 0.584 205 S N -0.207 115.655 115.700 0.270 0.000 2.579 205 S HA 0.826 5.301 4.470 0.008 0.000 0.272 205 S C 0.822 175.517 174.600 0.159 0.000 1.141 205 S CA -0.285 58.017 58.200 0.170 0.000 0.843 205 S CB 1.156 64.433 63.200 0.128 0.000 1.122 205 S HN 0.434 nan 8.310 nan 0.000 0.468 206 A N 0.765 123.649 122.820 0.107 0.000 1.969 206 A HA -0.053 4.272 4.320 0.008 0.000 0.218 206 A C 2.105 179.674 177.584 -0.025 0.000 1.169 206 A CA 2.052 54.136 52.037 0.079 0.000 0.635 206 A CB -1.126 17.979 19.000 0.176 0.000 0.810 206 A HN 0.895 nan 8.150 nan 0.000 0.445 207 Q N 0.175 120.040 119.800 0.107 0.000 2.084 207 Q HA -0.179 4.165 4.340 0.008 0.000 0.202 207 Q C 1.904 177.900 176.000 -0.007 0.000 0.978 207 Q CA 2.251 58.089 55.803 0.057 0.000 0.844 207 Q CB -0.348 28.506 28.738 0.192 0.000 0.898 207 Q HN 0.742 nan 8.270 nan 0.000 0.426 208 E N -0.781 119.458 120.200 0.065 0.000 2.106 208 E HA -0.172 4.183 4.350 0.008 0.000 0.192 208 E C 1.913 178.613 176.600 0.166 0.000 0.984 208 E CA 1.106 57.559 56.400 0.090 0.000 0.806 208 E CB -0.088 29.712 29.700 0.166 0.000 0.750 208 E HN 0.452 nan 8.360 nan 0.000 0.458 209 M N -0.213 119.464 119.600 0.128 0.000 2.106 209 M HA -0.187 4.298 4.480 0.008 0.000 0.259 209 M C 2.125 178.486 176.300 0.101 0.000 1.068 209 M CA 1.535 56.883 55.300 0.079 0.000 1.100 209 M CB -0.360 32.076 32.600 -0.273 0.000 1.351 209 M HN 0.232 nan 8.290 nan 0.000 0.404 210 F N 0.738 120.492 119.950 -0.326 0.000 2.102 210 F HA -0.247 4.286 4.527 0.011 0.000 0.298 210 F C 2.289 177.988 175.800 -0.168 0.000 1.105 210 F CA 1.752 59.512 58.000 -0.401 0.000 1.239 210 F CB -0.167 38.298 39.000 -0.893 0.000 0.991 210 F HN 0.050 nan 8.300 nan 0.000 0.474 211 T N -0.376 114.048 114.554 -0.218 0.000 2.684 211 T HA -0.256 4.099 4.350 0.008 0.000 0.267 211 T C 1.576 176.118 174.700 -0.263 0.000 1.036 211 T CA 1.920 63.838 62.100 -0.304 0.000 1.148 211 T CB -0.803 67.921 68.868 -0.239 0.000 0.863 211 T HN 0.374 nan 8.240 nan 0.000 0.436 212 Y N 0.872 121.118 120.300 -0.090 0.000 2.128 212 Y HA -0.084 4.470 4.550 0.007 0.000 0.284 212 Y C 2.333 178.162 175.900 -0.119 0.000 1.154 212 Y CA 0.884 58.933 58.100 -0.086 0.000 1.149 212 Y CB -0.334 38.167 38.460 0.069 0.000 0.976 212 Y HN 0.155 nan 8.280 nan 0.000 0.505 213 I N -1.430 119.209 120.570 0.116 0.000 2.226 213 I HA -0.361 3.814 4.170 0.008 0.000 0.245 213 I C 2.269 178.313 176.117 -0.122 0.000 1.100 213 I CA 0.924 62.230 61.300 0.010 0.000 1.374 213 I CB -0.495 37.517 38.000 0.020 0.000 1.057 213 I HN 0.334 nan 8.210 nan 0.000 0.413 214 C N 0.611 119.729 119.300 -0.303 0.000 2.440 214 C HA -0.107 4.358 4.460 0.008 0.000 0.278 214 C C 2.598 177.477 174.990 -0.185 0.000 1.295 214 C CA 0.701 59.526 59.018 -0.322 0.000 1.738 214 C CB -1.362 26.054 27.740 -0.540 0.000 1.987 214 C HN 0.541 nan 8.230 nan 0.000 0.492 215 N N -0.153 118.428 118.700 -0.199 0.000 2.244 215 N HA -0.116 4.629 4.740 0.008 0.000 0.183 215 N C 1.448 176.835 175.510 -0.204 0.000 1.016 215 N CA 1.192 54.118 53.050 -0.207 0.000 0.866 215 N CB -0.652 37.660 38.487 -0.292 0.000 0.980 215 N HN 0.749 nan 8.380 nan 0.000 0.430 216 H N 0.788 119.675 119.070 -0.305 0.000 2.293 216 H HA 0.065 4.627 4.556 0.010 0.000 0.300 216 H C 2.162 177.486 175.328 -0.005 0.000 1.082 216 H CA 1.547 57.462 56.048 -0.220 0.000 1.308 216 H CB -0.031 29.655 29.762 -0.128 0.000 1.375 216 H HN 0.054 nan 8.280 nan 0.000 0.495 217 I N 0.723 121.422 120.570 0.215 0.000 2.208 217 I HA -0.296 3.879 4.170 0.008 0.000 0.245 217 I C 2.419 178.609 176.117 0.120 0.000 1.097 217 I CA 1.481 62.871 61.300 0.150 0.000 1.363 217 I CB -0.291 37.721 38.000 0.020 0.000 1.051 217 I HN 0.339 nan 8.210 nan 0.000 0.413 218 K N -0.054 120.385 120.400 0.065 0.000 2.002 218 K HA -0.237 4.088 4.320 0.008 0.000 0.209 218 K C 2.261 178.922 176.600 0.100 0.000 1.048 218 K CA 1.834 58.153 56.287 0.053 0.000 0.930 218 K CB -0.433 32.074 32.500 0.011 0.000 0.714 218 K HN 0.240 nan 8.250 nan 0.000 0.438 219 Y N 1.378 121.689 120.300 0.018 0.000 2.114 219 Y HA -0.234 4.317 4.550 0.002 0.000 0.284 219 Y C 2.215 178.177 175.900 0.103 0.000 1.143 219 Y CA 1.532 59.678 58.100 0.078 0.000 1.135 219 Y CB -0.414 38.148 38.460 0.170 0.000 0.980 219 Y HN 0.058 nan 8.280 nan 0.000 0.499 220 A N -0.746 122.284 122.820 0.349 0.000 1.933 220 A HA -0.182 4.143 4.320 0.008 0.000 0.218 220 A C 2.202 179.879 177.584 0.154 0.000 1.175 220 A CA 2.311 54.512 52.037 0.273 0.000 0.628 220 A CB -1.304 17.900 19.000 0.340 0.000 0.814 220 A HN 0.529 nan 8.150 nan 0.000 0.444 221 T N -0.255 114.375 114.554 0.127 0.000 2.777 221 T HA -0.097 4.258 4.350 0.008 0.000 0.266 221 T C 1.115 175.833 174.700 0.031 0.000 1.040 221 T CA 1.123 63.279 62.100 0.093 0.000 1.141 221 T CB -0.432 68.484 68.868 0.080 0.000 0.868 221 T HN 0.637 nan 8.240 nan 0.000 0.444 222 N N 1.353 120.042 118.700 -0.019 0.000 2.702 222 N HA -0.257 4.487 4.740 0.008 0.000 0.255 222 N C -0.431 175.055 175.510 -0.040 0.000 0.983 222 N CA 0.450 53.458 53.050 -0.070 0.000 0.768 222 N CB -1.333 37.068 38.487 -0.144 0.000 0.918 222 N HN 0.474 nan 8.380 nan 0.000 0.540 223 R N -2.027 118.463 120.500 -0.018 0.000 3.416 223 R HA -0.212 4.132 4.340 0.008 0.000 0.263 223 R C 1.331 177.619 176.300 -0.020 0.000 1.053 223 R CA 1.055 57.145 56.100 -0.017 0.000 0.705 223 R CB -1.916 28.369 30.300 -0.026 0.000 1.124 223 R HN 0.902 nan 8.270 nan 0.000 0.444 224 G N -0.442 108.357 108.800 -0.002 0.000 2.279 224 G HA2 -0.348 3.617 3.960 0.008 0.000 0.223 224 G HA3 -0.348 3.617 3.960 0.008 0.000 0.223 224 G C 0.041 174.934 174.900 -0.011 0.000 1.015 224 G CA 0.112 45.211 45.100 -0.002 0.000 0.621 224 G HN 0.427 nan 8.290 nan 0.000 0.506 225 N N 1.438 120.117 118.700 -0.035 0.000 3.188 225 N HA 0.475 5.220 4.740 0.008 0.000 0.279 225 N C 0.421 175.904 175.510 -0.045 0.000 1.213 225 N CA -0.447 52.562 53.050 -0.068 0.000 1.138 225 N CB -0.367 38.074 38.487 -0.078 0.000 1.417 225 N HN 0.269 nan 8.380 nan 0.000 0.526 226 L N 1.609 122.836 121.223 0.007 0.000 2.529 226 L HA 0.079 4.424 4.340 0.008 0.000 0.287 226 L C 0.841 177.831 176.870 0.200 0.000 1.241 226 L CA 1.006 55.926 54.840 0.133 0.000 0.857 226 L CB 0.202 42.430 42.059 0.281 0.000 1.113 226 L HN 0.315 nan 8.230 nan 0.000 0.504 227 R N 1.247 121.893 120.500 0.243 0.000 2.532 227 R HA 0.419 4.764 4.340 0.008 0.000 0.297 227 R C -0.708 175.786 176.300 0.323 0.000 0.984 227 R CA -0.670 55.605 56.100 0.292 0.000 0.884 227 R CB 1.691 32.061 30.300 0.116 0.000 1.182 227 R HN 0.581 nan 8.270 nan 0.000 0.442 228 S N 1.568 117.451 115.700 0.305 0.000 2.549 228 S HA 0.411 4.885 4.470 0.008 0.000 0.286 228 S C -0.169 174.489 174.600 0.096 0.000 1.314 228 S CA -0.117 58.149 58.200 0.111 0.000 1.062 228 S CB 1.071 64.284 63.200 0.022 0.000 0.865 228 S HN 0.701 nan 8.310 nan 0.000 0.498 229 A N 2.713 125.555 122.820 0.037 0.000 2.610 229 A HA 0.842 5.167 4.320 0.008 0.000 0.291 229 A C -1.260 176.364 177.584 0.068 0.000 1.086 229 A CA -0.680 51.319 52.037 -0.064 0.000 0.677 229 A CB 1.249 20.148 19.000 -0.169 0.000 1.278 229 A HN 0.802 nan 8.150 nan 0.000 0.414 230 I N 0.325 120.927 120.570 0.054 0.000 2.692 230 I HA 0.599 4.774 4.170 0.008 0.000 0.293 230 I C -1.300 174.930 176.117 0.188 0.000 1.200 230 I CA -0.120 61.331 61.300 0.252 0.000 1.036 230 I CB 2.402 40.504 38.000 0.170 0.000 1.258 230 I HN 0.612 nan 8.210 nan 0.000 0.421 231 T N 6.281 120.960 114.554 0.209 0.000 2.786 231 T HA 0.452 4.807 4.350 0.008 0.000 0.283 231 T C -0.702 173.787 174.700 -0.351 0.000 0.992 231 T CA -0.354 61.703 62.100 -0.073 0.000 0.954 231 T CB 1.561 70.354 68.868 -0.126 0.000 0.934 231 T HN 0.266 nan 8.240 nan 0.000 0.440 232 V N 5.151 124.797 119.914 -0.448 0.000 2.350 232 V HA 0.472 4.597 4.120 0.008 0.000 0.276 232 V C -0.419 175.371 176.094 -0.508 0.000 1.028 232 V CA -0.754 61.289 62.300 -0.428 0.000 0.860 232 V CB 0.009 31.543 31.823 -0.482 0.000 0.990 232 V HN 0.708 nan 8.190 nan 0.000 0.453 233 F N 5.209 125.073 119.950 -0.143 0.000 2.380 233 F HA 0.525 5.057 4.527 0.010 0.000 0.319 233 F C -1.826 173.874 175.800 -0.166 0.000 1.113 233 F CA -2.542 55.281 58.000 -0.295 0.000 1.056 233 F CB 0.286 39.066 39.000 -0.368 0.000 1.289 233 F HN 0.293 nan 8.300 nan 0.000 0.515 234 P HA -0.030 nan 4.420 nan 0.000 0.263 234 P C -0.941 176.389 177.300 0.050 0.000 1.175 234 P CA -0.013 63.047 63.100 -0.066 0.000 0.761 234 P CB 0.198 31.809 31.700 -0.150 0.000 0.794 235 Q N 3.157 122.878 119.800 -0.131 0.000 2.535 235 Q HA 0.180 4.525 4.340 0.008 0.000 0.228 235 Q C -0.089 175.795 176.000 -0.193 0.000 1.062 235 Q CA -0.503 54.996 55.803 -0.506 0.000 0.967 235 Q CB 0.566 28.718 28.738 -0.977 0.000 1.273 235 Q HN 0.312 nan 8.270 nan 0.000 0.554 236 R N -0.035 120.329 120.500 -0.226 0.000 2.484 236 R HA 0.252 4.597 4.340 0.008 0.000 0.293 236 R C -0.904 175.335 176.300 -0.102 0.000 1.023 236 R CA 0.389 56.429 56.100 -0.101 0.000 1.037 236 R CB 0.471 30.707 30.300 -0.107 0.000 0.951 236 R HN 0.667 nan 8.270 nan 0.000 0.418 237 A N 6.644 129.445 122.820 -0.032 0.000 2.304 237 A HA 0.443 4.768 4.320 0.008 0.000 0.314 237 A C -2.247 175.330 177.584 -0.012 0.000 1.187 237 A CA -1.824 50.200 52.037 -0.021 0.000 0.810 237 A CB 1.046 20.062 19.000 0.027 0.000 1.183 237 A HN 0.484 nan 8.150 nan 0.000 0.487 238 P HA 0.189 nan 4.420 nan 0.000 0.265 238 P C 0.761 178.063 177.300 0.003 0.000 1.193 238 P CA 1.532 64.626 63.100 -0.009 0.000 0.765 238 P CB 0.786 32.481 31.700 -0.007 0.000 0.823 239 G N 1.567 110.368 108.800 0.002 0.000 2.225 239 G HA2 -0.215 3.750 3.960 0.008 0.000 0.264 239 G HA3 -0.215 3.750 3.960 0.008 0.000 0.264 239 G C 0.050 174.954 174.900 0.007 0.000 1.060 239 G CA 0.008 45.112 45.100 0.006 0.000 0.833 239 G HN 0.891 nan 8.290 nan 0.000 0.498 240 R N -0.773 119.729 120.500 0.002 0.000 2.687 240 R HA 0.530 4.875 4.340 0.008 0.000 0.265 240 R C 0.509 176.802 176.300 -0.012 0.000 1.048 240 R CA 0.039 56.138 56.100 -0.002 0.000 0.884 240 R CB 0.547 30.854 30.300 0.012 0.000 1.258 240 R HN 0.791 nan 8.270 nan 0.000 0.469 241 G N 1.203 109.983 108.800 -0.033 0.000 2.634 241 G HA2 0.208 4.173 3.960 0.008 0.000 0.255 241 G HA3 0.208 4.173 3.960 0.008 0.000 0.255 241 G C -0.545 174.321 174.900 -0.057 0.000 1.205 241 G CA -0.253 44.821 45.100 -0.044 0.000 0.884 241 G HN 0.524 nan 8.290 nan 0.000 0.549 242 D N -0.782 119.599 120.400 -0.031 0.000 2.312 242 D HA 0.365 5.010 4.640 0.008 0.000 0.248 242 D C -0.480 175.807 176.300 -0.023 0.000 1.086 242 D CA 0.035 54.046 54.000 0.018 0.000 0.948 242 D CB 1.126 41.955 40.800 0.048 0.000 1.162 242 D HN 0.095 nan 8.370 nan 0.000 0.446 243 F N 1.455 121.426 119.950 0.035 0.000 2.411 243 F HA 0.369 4.902 4.527 0.010 0.000 0.350 243 F C 0.884 176.708 175.800 0.040 0.000 1.114 243 F CA -0.123 57.883 58.000 0.011 0.000 1.135 243 F CB 0.745 39.745 39.000 -0.000 0.000 1.120 243 F HN -0.192 nan 8.300 nan 0.000 0.495 244 R N 4.010 124.630 120.500 0.201 0.000 2.698 244 R HA 0.537 4.882 4.340 0.008 0.000 0.275 244 R C -1.304 175.145 176.300 0.249 0.000 1.001 244 R CA -0.861 55.375 56.100 0.226 0.000 0.896 244 R CB 2.308 32.762 30.300 0.257 0.000 1.218 244 R HN 0.624 nan 8.270 nan 0.000 0.462 245 I N 1.876 122.590 120.570 0.240 0.000 2.355 245 I HA 0.183 4.358 4.170 0.008 0.000 0.288 245 I C 0.469 176.806 176.117 0.366 0.000 0.999 245 I CA -0.499 60.937 61.300 0.228 0.000 1.163 245 I CB 1.354 39.433 38.000 0.132 0.000 1.316 245 I HN 0.514 nan 8.210 nan 0.000 0.454 246 W N 3.404 124.758 121.300 0.090 0.000 2.388 246 W HA -0.070 4.594 4.660 0.008 0.000 0.294 246 W C 0.940 177.585 176.519 0.209 0.000 1.212 246 W CA 0.134 57.609 57.345 0.217 0.000 1.271 246 W CB -0.795 28.789 29.460 0.207 0.000 1.126 246 W HN 0.409 nan 8.180 nan 0.000 0.535 247 N N 0.221 119.099 118.700 0.297 0.000 2.492 247 N HA 0.004 4.749 4.740 0.008 0.000 0.260 247 N C 1.366 176.945 175.510 0.116 0.000 1.215 247 N CA 0.861 54.003 53.050 0.153 0.000 0.923 247 N CB 0.772 39.282 38.487 0.039 0.000 1.092 247 N HN -0.079 nan 8.380 nan 0.000 0.448 248 S N 1.447 117.209 115.700 0.102 0.000 2.383 248 S HA -0.116 4.359 4.470 0.008 0.000 0.227 248 S C 0.395 174.997 174.600 0.004 0.000 1.026 248 S CA 0.876 59.121 58.200 0.075 0.000 0.981 248 S CB 0.012 63.276 63.200 0.106 0.000 0.818 248 S HN 0.666 nan 8.310 nan 0.000 0.472 249 Q N -0.724 119.064 119.800 -0.020 0.000 2.451 249 Q HA 0.507 4.852 4.340 0.008 0.000 0.281 249 Q C 0.331 176.249 176.000 -0.135 0.000 1.099 249 Q CA -0.551 55.199 55.803 -0.087 0.000 0.806 249 Q CB 1.972 30.691 28.738 -0.032 0.000 1.419 249 Q HN 0.154 nan 8.270 nan 0.000 0.427 250 L N 0.250 121.364 121.223 -0.181 0.000 2.191 250 L HA 0.003 4.348 4.340 0.008 0.000 0.212 250 L C 0.327 177.043 176.870 -0.257 0.000 1.103 250 L CA 0.827 55.557 54.840 -0.184 0.000 0.769 250 L CB 0.149 42.091 42.059 -0.196 0.000 0.908 250 L HN 0.260 nan 8.230 nan 0.000 0.438 251 V N 0.894 120.563 119.914 -0.408 0.000 2.444 251 V HA 0.476 4.601 4.120 0.008 0.000 0.294 251 V C -0.316 175.300 176.094 -0.796 0.000 1.022 251 V CA -0.695 61.174 62.300 -0.719 0.000 0.850 251 V CB 1.754 32.862 31.823 -1.192 0.000 0.992 251 V HN 0.151 nan 8.190 nan 0.000 0.426 252 R N 3.000 123.146 120.500 -0.589 0.000 2.651 252 R HA 0.486 4.831 4.340 0.008 0.000 0.278 252 R C -1.813 174.290 176.300 -0.329 0.000 1.010 252 R CA -0.775 55.103 56.100 -0.370 0.000 0.896 252 R CB 2.390 32.594 30.300 -0.161 0.000 1.211 252 R HN 0.568 nan 8.270 nan 0.000 0.456 253 Y N 0.573 120.862 120.300 -0.018 0.000 2.308 253 Y HA 0.405 4.960 4.550 0.009 0.000 0.329 253 Y C 1.015 176.870 175.900 -0.075 0.000 1.111 253 Y CA -0.536 57.562 58.100 -0.004 0.000 1.179 253 Y CB 1.191 39.717 38.460 0.110 0.000 1.201 253 Y HN 0.689 nan 8.280 nan 0.000 0.483 254 A N 1.973 124.808 122.820 0.024 0.000 2.466 254 A HA 0.499 4.824 4.320 0.008 0.000 0.238 254 A C 0.674 178.020 177.584 -0.397 0.000 1.074 254 A CA 0.354 52.244 52.037 -0.244 0.000 0.774 254 A CB -0.253 18.542 19.000 -0.343 0.000 1.015 254 A HN 0.964 nan 8.150 nan 0.000 0.498 255 G N 0.712 109.260 108.800 -0.420 0.000 2.814 255 G HA2 0.529 4.494 3.960 0.008 0.000 0.300 255 G HA3 0.529 4.494 3.960 0.008 0.000 0.300 255 G C -0.935 173.801 174.900 -0.273 0.000 1.406 255 G CA -0.291 44.621 45.100 -0.313 0.000 1.041 255 G HN 0.567 nan 8.290 nan 0.000 0.532 256 Y N 1.503 121.818 120.300 0.024 0.000 2.383 256 Y HA 0.334 4.889 4.550 0.008 0.000 0.344 256 Y C 1.112 177.014 175.900 0.002 0.000 0.986 256 Y CA -0.965 57.150 58.100 0.025 0.000 1.175 256 Y CB 1.271 39.744 38.460 0.021 0.000 1.152 256 Y HN 0.491 nan 8.280 nan 0.000 0.511 257 R N 4.128 124.720 120.500 0.152 0.000 2.345 257 R HA 0.051 4.396 4.340 0.008 0.000 0.331 257 R C -0.227 176.115 176.300 0.071 0.000 1.067 257 R CA -0.421 55.729 56.100 0.082 0.000 0.962 257 R CB 0.272 30.608 30.300 0.060 0.000 0.987 257 R HN 0.621 nan 8.270 nan 0.000 0.451 258 Q N 2.599 122.430 119.800 0.053 0.000 2.584 258 Q HA -0.049 4.296 4.340 0.008 0.000 0.218 258 Q C 0.832 176.843 176.000 0.017 0.000 1.079 258 Q CA 0.151 55.972 55.803 0.031 0.000 1.008 258 Q CB 0.508 29.259 28.738 0.023 0.000 1.267 258 Q HN 0.694 nan 8.270 nan 0.000 0.586 259 Q N 0.513 120.317 119.800 0.007 0.000 2.123 259 Q HA -0.124 4.221 4.340 0.008 0.000 0.199 259 Q C 0.891 176.893 176.000 0.004 0.000 0.966 259 Q CA 1.339 57.143 55.803 0.002 0.000 0.845 259 Q CB 0.199 28.934 28.738 -0.005 0.000 0.907 259 Q HN 0.658 nan 8.270 nan 0.000 0.439 260 D N -1.200 119.202 120.400 0.004 0.000 2.336 260 D HA 0.016 4.661 4.640 0.008 0.000 0.229 260 D C 1.106 177.410 176.300 0.007 0.000 1.061 260 D CA 0.861 54.864 54.000 0.004 0.000 0.875 260 D CB 0.488 41.290 40.800 0.003 0.000 0.904 260 D HN 0.364 nan 8.370 nan 0.000 0.525 261 G N 1.185 109.991 108.800 0.010 0.000 2.268 261 G HA2 -0.343 3.622 3.960 0.008 0.000 0.240 261 G HA3 -0.343 3.622 3.960 0.008 0.000 0.240 261 G C 0.639 175.548 174.900 0.014 0.000 1.010 261 G CA 0.426 45.534 45.100 0.013 0.000 0.618 261 G HN 0.673 nan 8.290 nan 0.000 0.516 262 S N -0.735 114.972 115.700 0.012 0.000 2.633 262 S HA 0.690 5.165 4.470 0.008 0.000 0.257 262 S C 0.126 174.732 174.600 0.010 0.000 1.265 262 S CA 0.195 58.401 58.200 0.009 0.000 0.980 262 S CB 1.992 65.195 63.200 0.006 0.000 1.017 262 S HN 1.186 nan 8.310 nan 0.000 0.577 263 V N 0.818 120.729 119.914 -0.004 0.000 2.638 263 V HA 0.543 4.668 4.120 0.008 0.000 0.306 263 V C -0.106 175.968 176.094 -0.033 0.000 1.052 263 V CA -0.803 61.490 62.300 -0.011 0.000 0.885 263 V CB 1.665 33.463 31.823 -0.041 0.000 0.999 263 V HN 0.922 nan 8.190 nan 0.000 0.424 264 R N 2.617 123.127 120.500 0.016 0.000 2.294 264 R HA 0.687 5.032 4.340 0.008 0.000 0.319 264 R C 0.603 176.866 176.300 -0.062 0.000 0.984 264 R CA 0.886 56.996 56.100 0.017 0.000 0.861 264 R CB 1.115 31.497 30.300 0.136 0.000 1.104 264 R HN 1.172 nan 8.270 nan 0.000 0.451 265 G N 3.033 111.699 108.800 -0.223 0.000 2.601 265 G HA2 -0.241 3.724 3.960 0.008 0.000 0.224 265 G HA3 -0.241 3.724 3.960 0.008 0.000 0.224 265 G C -1.315 173.191 174.900 -0.656 0.000 1.171 265 G CA -0.033 44.853 45.100 -0.356 0.000 1.009 265 G HN 0.611 nan 8.290 nan 0.000 0.589 266 D N 1.754 121.922 120.400 -0.386 0.000 2.427 266 D HA 0.611 5.256 4.640 0.008 0.000 0.226 266 D C -1.212 174.999 176.300 -0.148 0.000 1.076 266 D CA -2.009 51.802 54.000 -0.314 0.000 0.849 266 D CB 1.647 42.551 40.800 0.174 0.000 1.052 266 D HN -0.022 nan 8.370 nan 0.000 0.515 267 P HA -0.120 nan 4.420 nan 0.000 0.218 267 P C 0.936 178.247 177.300 0.017 0.000 1.146 267 P CA 0.975 64.042 63.100 -0.055 0.000 0.813 267 P CB 0.308 31.985 31.700 -0.039 0.000 0.778 268 A N -0.517 122.334 122.820 0.052 0.000 2.067 268 A HA -0.120 4.205 4.320 0.008 0.000 0.219 268 A C 1.558 179.194 177.584 0.087 0.000 1.158 268 A CA 1.312 53.409 52.037 0.101 0.000 0.661 268 A CB -0.836 18.251 19.000 0.145 0.000 0.801 268 A HN 0.164 nan 8.150 nan 0.000 0.452 269 N N -0.122 118.611 118.700 0.056 0.000 2.321 269 N HA 0.168 4.913 4.740 0.008 0.000 0.242 269 N C 0.957 176.458 175.510 -0.015 0.000 1.141 269 N CA 0.095 53.161 53.050 0.028 0.000 0.864 269 N CB 0.786 39.285 38.487 0.021 0.000 1.100 269 N HN 0.200 nan 8.380 nan 0.000 0.510 270 V N 0.740 120.651 119.914 -0.005 0.000 2.307 270 V HA -0.200 3.924 4.120 0.008 0.000 0.245 270 V C 2.402 178.488 176.094 -0.012 0.000 1.045 270 V CA 1.659 63.952 62.300 -0.011 0.000 1.024 270 V CB -0.192 31.635 31.823 0.006 0.000 0.651 270 V HN 0.372 nan 8.190 nan 0.000 0.449 271 E N -0.382 119.811 120.200 -0.012 0.000 2.031 271 E HA -0.249 4.106 4.350 0.008 0.000 0.193 271 E C 2.173 178.687 176.600 -0.143 0.000 0.994 271 E CA 1.617 57.979 56.400 -0.064 0.000 0.800 271 E CB -0.154 29.525 29.700 -0.034 0.000 0.752 271 E HN 0.465 nan 8.360 nan 0.000 0.447 272 I N 0.931 121.427 120.570 -0.123 0.000 2.361 272 I HA -0.233 3.942 4.170 0.008 0.000 0.251 272 I C 2.042 178.100 176.117 -0.099 0.000 1.133 272 I CA 1.573 62.785 61.300 -0.147 0.000 1.413 272 I CB -0.407 37.562 38.000 -0.053 0.000 1.073 272 I HN 0.079 nan 8.210 nan 0.000 0.424 273 T N 0.437 114.953 114.554 -0.062 0.000 2.708 273 T HA -0.170 4.185 4.350 0.008 0.000 0.266 273 T C 1.689 176.449 174.700 0.100 0.000 1.037 273 T CA 1.776 63.874 62.100 -0.003 0.000 1.146 273 T CB -0.308 68.557 68.868 -0.005 0.000 0.865 273 T HN 0.490 nan 8.240 nan 0.000 0.435 274 E N 0.668 120.901 120.200 0.055 0.000 2.268 274 E HA 0.021 4.375 4.350 0.008 0.000 0.195 274 E C 2.101 178.735 176.600 0.056 0.000 0.995 274 E CA 0.510 56.952 56.400 0.070 0.000 0.836 274 E CB -0.195 29.522 29.700 0.028 0.000 0.763 274 E HN 0.432 nan 8.360 nan 0.000 0.491 275 L N 0.047 121.271 121.223 0.001 0.000 2.131 275 L HA -0.130 4.215 4.340 0.008 0.000 0.206 275 L C 2.444 179.414 176.870 0.167 0.000 1.087 275 L CA 0.517 55.388 54.840 0.052 0.000 0.767 275 L CB -0.183 41.815 42.059 -0.102 0.000 0.917 275 L HN 0.275 nan 8.230 nan 0.000 0.441 276 C N -0.036 119.312 119.300 0.079 0.000 2.425 276 C HA -0.137 4.328 4.460 0.008 0.000 0.277 276 C C 2.698 177.856 174.990 0.280 0.000 1.280 276 C CA 0.443 59.518 59.018 0.095 0.000 1.744 276 C CB -0.591 27.103 27.740 -0.076 0.000 1.989 276 C HN 0.412 nan 8.230 nan 0.000 0.491 277 I N 0.548 121.302 120.570 0.306 0.000 2.142 277 I HA -0.262 3.913 4.170 0.008 0.000 0.240 277 I C 2.579 178.771 176.117 0.125 0.000 1.078 277 I CA 1.588 63.038 61.300 0.250 0.000 1.343 277 I CB -0.699 37.420 38.000 0.198 0.000 1.046 277 I HN 0.437 nan 8.210 nan 0.000 0.405 278 Q N -0.243 119.611 119.800 0.090 0.000 2.368 278 Q HA -0.210 4.135 4.340 0.008 0.000 0.210 278 Q C 0.821 176.728 176.000 -0.156 0.000 0.982 278 Q CA 1.152 56.937 55.803 -0.029 0.000 0.884 278 Q CB -0.175 28.535 28.738 -0.046 0.000 0.933 278 Q HN 0.627 nan 8.270 nan 0.000 0.460 279 H N -1.530 117.535 119.070 -0.007 0.000 2.488 279 H HA 0.260 4.821 4.556 0.008 0.000 0.294 279 H C 0.726 176.034 175.328 -0.034 0.000 1.088 279 H CA 0.439 56.456 56.048 -0.053 0.000 1.086 279 H CB 0.754 30.442 29.762 -0.125 0.000 1.569 279 H HN 0.349 nan 8.280 nan 0.000 0.548 280 G N -0.197 108.641 108.800 0.062 0.000 2.175 280 G HA2 -0.271 3.694 3.960 0.008 0.000 0.244 280 G HA3 -0.271 3.694 3.960 0.008 0.000 0.244 280 G C -0.038 174.927 174.900 0.108 0.000 0.982 280 G CA -0.120 45.007 45.100 0.044 0.000 0.641 280 G HN 0.390 nan 8.290 nan 0.000 0.527 281 W N 2.393 123.676 121.300 -0.027 0.000 2.266 281 W HA 0.643 5.308 4.660 0.009 0.000 0.317 281 W C 0.224 176.739 176.519 -0.006 0.000 1.310 281 W CA 0.173 57.506 57.345 -0.020 0.000 1.207 281 W CB 0.846 30.304 29.460 -0.004 0.000 1.199 281 W HN 0.025 nan 8.180 nan 0.000 0.544 282 T N 9.726 123.901 114.554 -0.633 0.000 2.747 282 T HA 0.199 4.554 4.350 0.008 0.000 0.301 282 T C -2.033 171.891 174.700 -1.293 0.000 0.952 282 T CA -0.919 60.782 62.100 -0.665 0.000 0.983 282 T CB 0.445 69.085 68.868 -0.379 0.000 0.930 282 T HN 0.247 nan 8.240 nan 0.000 0.494 283 P HA 0.319 nan 4.420 nan 0.000 0.272 283 P C 0.260 177.180 177.300 -0.633 0.000 1.230 283 P CA -0.223 62.184 63.100 -1.155 0.000 0.788 283 P CB 0.989 32.411 31.700 -0.463 0.000 0.949 284 G N 0.574 109.155 108.800 -0.364 0.000 2.990 284 G HA2 0.447 4.412 3.960 0.008 0.000 0.208 284 G HA3 0.447 4.412 3.960 0.008 0.000 0.208 284 G C -0.459 174.152 174.900 -0.481 0.000 1.334 284 G CA -0.918 44.056 45.100 -0.210 0.000 1.024 284 G HN 0.759 nan 8.290 nan 0.000 0.574 285 N N -1.139 117.411 118.700 -0.249 0.000 2.620 285 N HA 0.356 5.101 4.740 0.008 0.000 0.277 285 N C 0.000 175.523 175.510 0.021 0.000 1.726 285 N CA -0.690 52.167 53.050 -0.323 0.000 0.840 285 N CB 1.137 39.447 38.487 -0.295 0.000 1.379 285 N HN 0.708 nan 8.380 nan 0.000 0.506 286 G N 0.243 109.188 108.800 0.241 0.000 2.788 286 G HA2 0.331 4.296 3.960 0.008 0.000 0.293 286 G HA3 0.331 4.296 3.960 0.008 0.000 0.293 286 G C 0.371 175.366 174.900 0.159 0.000 1.305 286 G CA -0.743 44.468 45.100 0.185 0.000 1.005 286 G HN 0.141 nan 8.290 nan 0.000 0.496 287 R N -1.196 119.288 120.500 -0.027 0.000 2.200 287 R HA 0.125 4.470 4.340 0.008 0.000 0.208 287 R C -0.089 175.767 176.300 -0.740 0.000 1.033 287 R CA 0.742 56.616 56.100 -0.377 0.000 1.000 287 R CB 0.070 30.020 30.300 -0.584 0.000 0.906 287 R HN 0.403 nan 8.270 nan 0.000 0.462 288 F N 0.816 120.740 119.950 -0.043 0.000 2.623 288 F HA 0.253 4.785 4.527 0.008 0.000 0.361 288 F C -0.698 175.133 175.800 0.052 0.000 1.469 288 F CA -1.060 56.726 58.000 -0.358 0.000 1.126 288 F CB 0.634 39.252 39.000 -0.638 0.000 1.221 288 F HN -0.300 nan 8.300 nan 0.000 0.536 289 D N 1.573 122.166 120.400 0.322 0.000 2.295 289 D HA 0.202 4.847 4.640 0.008 0.000 0.248 289 D C 0.138 176.667 176.300 0.381 0.000 1.154 289 D CA 0.074 54.304 54.000 0.383 0.000 0.857 289 D CB 2.346 43.425 40.800 0.464 0.000 1.117 289 D HN -0.057 nan 8.370 nan 0.000 0.468 290 V N 3.913 124.004 119.914 0.295 0.000 2.479 290 V HA 0.051 4.176 4.120 0.008 0.000 0.281 290 V C 0.957 177.014 176.094 -0.060 0.000 1.031 290 V CA -0.409 61.937 62.300 0.077 0.000 1.038 290 V CB 0.317 32.153 31.823 0.023 0.000 0.981 290 V HN 0.336 nan 8.190 nan 0.000 0.478 291 L N 8.229 129.315 121.223 -0.227 0.000 2.452 291 L HA 0.340 4.684 4.340 0.008 0.000 0.267 291 L C -1.684 174.921 176.870 -0.441 0.000 1.188 291 L CA -1.333 53.214 54.840 -0.489 0.000 0.821 291 L CB 0.859 42.660 42.059 -0.431 0.000 1.102 291 L HN 0.476 nan 8.230 nan 0.000 0.470 292 P HA 0.207 nan 4.420 nan 0.000 0.278 292 P C -1.095 176.043 177.300 -0.268 0.000 1.258 292 P CA -0.689 62.175 63.100 -0.393 0.000 0.811 292 P CB 1.219 32.608 31.700 -0.518 0.000 1.063 293 L N 1.615 122.766 121.223 -0.120 0.000 2.350 293 L HA 0.273 4.618 4.340 0.008 0.000 0.275 293 L C 0.257 177.093 176.870 -0.057 0.000 1.099 293 L CA -0.312 54.501 54.840 -0.046 0.000 0.808 293 L CB 0.060 42.163 42.059 0.072 0.000 1.149 293 L HN 0.268 nan 8.230 nan 0.000 0.442 294 L N 5.005 126.180 121.223 -0.081 0.000 2.356 294 L HA 0.463 4.808 4.340 0.008 0.000 0.264 294 L C -0.701 176.060 176.870 -0.181 0.000 1.029 294 L CA 0.058 54.764 54.840 -0.223 0.000 0.897 294 L CB 0.406 42.264 42.059 -0.334 0.000 1.256 294 L HN 0.368 nan 8.230 nan 0.000 0.444 295 L N 3.534 124.716 121.223 -0.067 0.000 2.307 295 L HA 0.564 4.909 4.340 0.008 0.000 0.282 295 L C -0.090 176.726 176.870 -0.090 0.000 1.051 295 L CA -0.441 54.382 54.840 -0.029 0.000 0.804 295 L CB 1.568 43.634 42.059 0.012 0.000 1.197 295 L HN 0.530 nan 8.230 nan 0.000 0.431 296 Q N 2.412 122.178 119.800 -0.058 0.000 2.310 296 Q HA 0.687 5.032 4.340 0.008 0.000 0.270 296 Q C -1.215 174.729 176.000 -0.093 0.000 1.025 296 Q CA -0.547 55.219 55.803 -0.061 0.000 0.772 296 Q CB 2.239 31.013 28.738 0.061 0.000 1.253 296 Q HN 0.801 nan 8.270 nan 0.000 0.450 297 A N 4.657 127.375 122.820 -0.170 0.000 2.252 297 A HA 0.711 5.036 4.320 0.008 0.000 0.305 297 A C -2.460 174.860 177.584 -0.441 0.000 1.097 297 A CA -1.748 50.030 52.037 -0.431 0.000 0.849 297 A CB 0.210 19.058 19.000 -0.254 0.000 1.142 297 A HN 0.638 nan 8.150 nan 0.000 0.499 298 P HA 0.044 nan 4.420 nan 0.000 0.258 298 P C -0.614 176.584 177.300 -0.171 0.000 1.172 298 P CA 0.926 63.807 63.100 -0.363 0.000 0.762 298 P CB 0.104 31.593 31.700 -0.351 0.000 0.764 299 D N 0.133 120.475 120.400 -0.096 0.000 3.070 299 D HA -0.199 4.446 4.640 0.008 0.000 0.220 299 D C -0.125 176.158 176.300 -0.028 0.000 1.176 299 D CA 1.327 55.303 54.000 -0.040 0.000 0.924 299 D CB -0.756 40.025 40.800 -0.033 0.000 1.124 299 D HN 0.561 nan 8.370 nan 0.000 0.411 300 E N -0.329 119.845 120.200 -0.045 0.000 2.235 300 E HA 0.656 5.011 4.350 0.008 0.000 0.265 300 E C 0.098 176.689 176.600 -0.015 0.000 0.940 300 E CA -0.709 55.672 56.400 -0.031 0.000 0.819 300 E CB 1.526 31.197 29.700 -0.048 0.000 1.206 300 E HN 0.165 nan 8.360 nan 0.000 0.409 301 A N 2.678 125.492 122.820 -0.010 0.000 2.366 301 A HA 0.301 4.626 4.320 0.008 0.000 0.249 301 A C -2.094 175.419 177.584 -0.118 0.000 1.084 301 A CA -1.038 50.992 52.037 -0.012 0.000 0.794 301 A CB -0.351 18.658 19.000 0.014 0.000 1.034 301 A HN 0.372 nan 8.150 nan 0.000 0.491 302 P HA 0.182 nan 4.420 nan 0.000 0.271 302 P C -0.755 176.323 177.300 -0.369 0.000 1.216 302 P CA 0.179 62.968 63.100 -0.518 0.000 0.771 302 P CB 0.707 31.618 31.700 -1.315 0.000 0.864 303 E N 1.378 121.435 120.200 -0.238 0.000 2.191 303 E HA 0.366 4.721 4.350 0.008 0.000 0.278 303 E C -0.593 175.781 176.600 -0.377 0.000 0.972 303 E CA -1.051 55.188 56.400 -0.268 0.000 0.804 303 E CB 1.229 30.827 29.700 -0.170 0.000 1.110 303 E HN 0.307 nan 8.360 nan 0.000 0.394 304 L N 3.502 124.409 121.223 -0.527 0.000 2.305 304 L HA 0.389 4.734 4.340 0.008 0.000 0.281 304 L C -1.470 174.919 176.870 -0.803 0.000 1.085 304 L CA 0.323 54.886 54.840 -0.462 0.000 0.813 304 L CB 0.084 41.977 42.059 -0.276 0.000 1.157 304 L HN 0.416 nan 8.230 nan 0.000 0.436 305 F N 3.982 123.718 119.950 -0.357 0.000 2.557 305 F HA 0.433 4.966 4.527 0.009 0.000 0.316 305 F C -0.364 175.174 175.800 -0.436 0.000 1.141 305 F CA -0.882 56.758 58.000 -0.600 0.000 0.922 305 F CB 1.796 40.104 39.000 -1.154 0.000 1.194 305 F HN 0.005 nan 8.300 nan 0.000 0.443 306 V N 4.899 124.716 119.914 -0.161 0.000 2.406 306 V HA 0.276 4.401 4.120 0.008 0.000 0.272 306 V C 0.220 176.408 176.094 0.157 0.000 1.043 306 V CA -0.674 61.625 62.300 -0.001 0.000 0.915 306 V CB 1.165 33.022 31.823 0.056 0.000 0.988 306 V HN 0.540 nan 8.190 nan 0.000 0.466 307 L N 7.518 128.859 121.223 0.198 0.000 2.416 307 L HA 0.279 4.624 4.340 0.008 0.000 0.272 307 L C -2.101 174.877 176.870 0.181 0.000 1.161 307 L CA -1.412 53.591 54.840 0.272 0.000 0.845 307 L CB 0.442 42.584 42.059 0.138 0.000 1.119 307 L HN 0.432 nan 8.230 nan 0.000 0.464 308 P HA 0.106 nan 4.420 nan 0.000 0.271 308 P C -2.019 175.327 177.300 0.078 0.000 1.226 308 P CA -1.049 62.120 63.100 0.116 0.000 0.765 308 P CB 0.494 32.251 31.700 0.095 0.000 0.835 309 P HA -0.257 nan 4.420 nan 0.000 0.217 309 P C 1.350 178.678 177.300 0.046 0.000 1.151 309 P CA 1.418 64.555 63.100 0.063 0.000 0.849 309 P CB -0.163 31.577 31.700 0.067 0.000 0.787 310 E N -0.649 119.575 120.200 0.039 0.000 2.268 310 E HA -0.145 4.210 4.350 0.008 0.000 0.195 310 E C 1.579 178.192 176.600 0.020 0.000 0.995 310 E CA 1.063 57.480 56.400 0.027 0.000 0.836 310 E CB -0.989 28.725 29.700 0.022 0.000 0.763 310 E HN 0.237 nan 8.360 nan 0.000 0.491 311 L N 1.046 122.281 121.223 0.020 0.000 2.341 311 L HA 0.029 4.374 4.340 0.008 0.000 0.214 311 L C 0.799 177.677 176.870 0.014 0.000 1.115 311 L CA 0.592 55.438 54.840 0.009 0.000 0.820 311 L CB 0.418 42.472 42.059 -0.007 0.000 0.944 311 L HN -0.093 nan 8.230 nan 0.000 0.452 312 V N 1.577 121.502 119.914 0.018 0.000 2.284 312 V HA 0.176 4.301 4.120 0.008 0.000 0.260 312 V C -0.008 176.111 176.094 0.040 0.000 1.084 312 V CA -0.789 61.521 62.300 0.016 0.000 0.894 312 V CB 0.736 32.556 31.823 -0.005 0.000 1.119 312 V HN -0.004 nan 8.190 nan 0.000 0.484 313 L N 5.467 126.722 121.223 0.053 0.000 2.410 313 L HA 0.419 4.764 4.340 0.008 0.000 0.273 313 L C 0.208 177.120 176.870 0.069 0.000 1.152 313 L CA 0.795 55.663 54.840 0.046 0.000 0.855 313 L CB 0.332 42.415 42.059 0.039 0.000 1.129 313 L HN 0.655 nan 8.230 nan 0.000 0.463 314 E N 3.390 123.607 120.200 0.028 0.000 2.336 314 E HA 0.604 4.959 4.350 0.008 0.000 0.267 314 E C -1.465 175.081 176.600 -0.091 0.000 0.906 314 E CA -1.063 55.352 56.400 0.025 0.000 0.781 314 E CB 2.436 32.175 29.700 0.066 0.000 1.261 314 E HN 0.358 nan 8.360 nan 0.000 0.436 315 V N 2.551 122.376 119.914 -0.148 0.000 2.376 315 V HA 0.296 4.421 4.120 0.008 0.000 0.287 315 V C -2.456 173.558 176.094 -0.134 0.000 1.015 315 V CA -1.992 60.151 62.300 -0.261 0.000 0.834 315 V CB 1.261 32.668 31.823 -0.693 0.000 1.001 315 V HN 0.512 nan 8.190 nan 0.000 0.428 316 P HA 0.286 nan 4.420 nan 0.000 0.271 316 P C -0.592 176.700 177.300 -0.015 0.000 1.216 316 P CA -0.070 62.989 63.100 -0.069 0.000 0.771 316 P CB 0.614 32.283 31.700 -0.051 0.000 0.864 317 L N 3.683 124.934 121.223 0.047 0.000 2.292 317 L HA 0.470 4.815 4.340 0.008 0.000 0.284 317 L C 1.007 178.018 176.870 0.236 0.000 1.065 317 L CA -0.139 54.791 54.840 0.151 0.000 0.806 317 L CB 0.588 42.803 42.059 0.259 0.000 1.175 317 L HN 0.482 nan 8.230 nan 0.000 0.431 318 E N 1.662 121.965 120.200 0.171 0.000 2.429 318 E HA 0.414 4.769 4.350 0.008 0.000 0.276 318 E C -1.374 175.235 176.600 0.015 0.000 0.953 318 E CA -0.959 55.553 56.400 0.187 0.000 0.787 318 E CB 2.202 31.988 29.700 0.143 0.000 1.307 318 E HN 0.467 nan 8.360 nan 0.000 0.458 319 H N 1.373 120.318 119.070 -0.208 0.000 2.472 319 H HA 0.241 4.802 4.556 0.009 0.000 0.338 319 H C -1.746 173.324 175.328 -0.430 0.000 1.133 319 H CA -2.279 53.503 56.048 -0.444 0.000 1.216 319 H CB 2.036 31.429 29.762 -0.615 0.000 1.497 319 H HN 0.431 nan 8.280 nan 0.000 0.500 320 P HA -0.122 nan 4.420 nan 0.000 0.218 320 P C 0.891 178.028 177.300 -0.271 0.000 1.148 320 P CA 1.786 64.390 63.100 -0.826 0.000 0.822 320 P CB 0.454 31.619 31.700 -0.892 0.000 0.784 321 T N -4.776 109.786 114.554 0.013 0.000 2.980 321 T HA 0.210 4.565 4.350 0.008 0.000 0.252 321 T C 0.827 175.488 174.700 -0.064 0.000 0.962 321 T CA -0.234 61.868 62.100 0.004 0.000 0.932 321 T CB -0.538 68.341 68.868 0.018 0.000 1.188 321 T HN -0.064 nan 8.240 nan 0.000 0.500 322 L N 2.777 123.887 121.223 -0.188 0.000 2.334 322 L HA 0.395 4.739 4.340 0.008 0.000 0.286 322 L C 1.218 177.727 176.870 -0.603 0.000 1.108 322 L CA -0.314 54.142 54.840 -0.640 0.000 0.875 322 L CB 0.515 41.802 42.059 -1.287 0.000 1.246 322 L HN 0.247 nan 8.230 nan 0.000 0.439 323 E N 3.264 123.273 120.200 -0.319 0.000 2.204 323 E HA -0.194 4.161 4.350 0.008 0.000 0.195 323 E C 1.529 178.087 176.600 -0.069 0.000 0.990 323 E CA 1.361 57.684 56.400 -0.128 0.000 0.821 323 E CB 0.060 29.758 29.700 -0.002 0.000 0.750 323 E HN 0.811 nan 8.360 nan 0.000 0.477 324 W N -0.236 121.118 121.300 0.090 0.000 2.519 324 W HA -0.023 4.642 4.660 0.009 0.000 0.266 324 W C 1.515 178.093 176.519 0.098 0.000 1.253 324 W CA -0.181 57.206 57.345 0.071 0.000 1.274 324 W CB -0.956 28.523 29.460 0.031 0.000 1.114 324 W HN -0.050 nan 8.180 nan 0.000 0.596 325 F N 2.941 122.650 119.950 -0.401 0.000 2.154 325 F HA -0.191 4.341 4.527 0.008 0.000 0.301 325 F C 2.703 178.523 175.800 0.033 0.000 1.087 325 F CA 3.031 60.916 58.000 -0.192 0.000 1.274 325 F CB -0.462 38.284 39.000 -0.423 0.000 1.009 325 F HN -0.073 nan 8.300 nan 0.000 0.485 326 A N -0.083 122.875 122.820 0.230 0.000 1.972 326 A HA -0.091 4.234 4.320 0.008 0.000 0.219 326 A C 2.258 179.912 177.584 0.117 0.000 1.169 326 A CA 1.479 53.621 52.037 0.176 0.000 0.635 326 A CB -1.352 17.721 19.000 0.122 0.000 0.810 326 A HN 0.427 nan 8.150 nan 0.000 0.446 327 A N -1.037 121.859 122.820 0.127 0.000 2.168 327 A HA 0.146 4.471 4.320 0.008 0.000 0.215 327 A C 1.712 179.344 177.584 0.080 0.000 1.152 327 A CA 1.025 53.126 52.037 0.108 0.000 0.716 327 A CB -0.349 18.733 19.000 0.137 0.000 0.794 327 A HN 0.359 nan 8.150 nan 0.000 0.465 328 L N -0.879 120.371 121.223 0.045 0.000 2.362 328 L HA 0.076 4.421 4.340 0.008 0.000 0.219 328 L C 1.890 178.786 176.870 0.044 0.000 1.134 328 L CA 1.245 56.084 54.840 -0.002 0.000 0.807 328 L CB -1.353 40.600 42.059 -0.178 0.000 0.927 328 L HN 0.662 nan 8.230 nan 0.000 0.447 329 G N -0.453 108.376 108.800 0.048 0.000 2.198 329 G HA2 -0.288 3.677 3.960 0.008 0.000 0.260 329 G HA3 -0.288 3.677 3.960 0.008 0.000 0.260 329 G C 0.355 175.265 174.900 0.017 0.000 1.025 329 G CA 0.395 45.528 45.100 0.056 0.000 0.769 329 G HN 0.323 nan 8.290 nan 0.000 0.507 330 L N -0.365 120.848 121.223 -0.017 0.000 2.421 330 L HA 0.840 5.185 4.340 0.008 0.000 0.263 330 L C 1.102 177.780 176.870 -0.320 0.000 1.122 330 L CA -0.697 54.067 54.840 -0.127 0.000 0.804 330 L CB 1.016 43.111 42.059 0.060 0.000 1.150 330 L HN 0.580 nan 8.230 nan 0.000 0.457 331 R N 0.898 121.016 120.500 -0.638 0.000 2.752 331 R HA 0.472 4.817 4.340 0.008 0.000 0.277 331 R C -2.187 174.033 176.300 -0.132 0.000 1.024 331 R CA -1.031 54.837 56.100 -0.386 0.000 0.866 331 R CB 1.605 31.611 30.300 -0.490 0.000 1.278 331 R HN 0.642 nan 8.270 nan 0.000 0.473 332 W N 1.318 122.560 121.300 -0.097 0.000 3.248 332 W HA 0.327 4.991 4.660 0.008 0.000 0.311 332 W C -1.269 175.340 176.519 0.149 0.000 1.258 332 W CA -0.912 56.478 57.345 0.075 0.000 1.191 332 W CB 1.877 31.302 29.460 -0.059 0.000 1.389 332 W HN 0.687 nan 8.180 nan 0.000 0.561 333 Y N 1.079 121.348 120.300 -0.050 0.000 2.300 333 Y HA 0.555 5.110 4.550 0.008 0.000 0.328 333 Y C 0.805 176.971 175.900 0.444 0.000 1.270 333 Y CA 0.183 58.336 58.100 0.088 0.000 1.352 333 Y CB 0.237 38.622 38.460 -0.125 0.000 1.286 333 Y HN 0.337 nan 8.280 nan 0.000 0.536 334 A N 1.952 125.065 122.820 0.487 0.000 2.021 334 A HA 0.090 4.415 4.320 0.008 0.000 0.216 334 A C 0.458 178.385 177.584 0.572 0.000 1.163 334 A CA 0.294 52.659 52.037 0.547 0.000 0.676 334 A CB -0.282 18.883 19.000 0.275 0.000 0.818 334 A HN 0.667 nan 8.150 nan 0.000 0.453 335 L N 2.030 123.559 121.223 0.509 0.000 2.262 335 L HA 0.407 4.752 4.340 0.008 0.000 0.288 335 L C -2.546 174.487 176.870 0.271 0.000 1.035 335 L CA -2.176 52.858 54.840 0.323 0.000 0.820 335 L CB 1.547 43.723 42.059 0.195 0.000 1.204 335 L HN -0.024 nan 8.230 nan 0.000 0.424 336 P HA 0.322 nan 4.420 nan 0.000 0.288 336 P C -1.425 175.781 177.300 -0.157 0.000 1.363 336 P CA -0.330 62.624 63.100 -0.244 0.000 0.837 336 P CB 1.303 32.420 31.700 -0.971 0.000 0.981 337 A N 4.594 127.334 122.820 -0.133 0.000 2.466 337 A HA 0.411 4.736 4.320 0.008 0.000 0.291 337 A C -0.206 177.156 177.584 -0.369 0.000 1.234 337 A CA -0.663 51.217 52.037 -0.262 0.000 0.752 337 A CB 0.825 19.681 19.000 -0.240 0.000 1.153 337 A HN 0.295 nan 8.150 nan 0.000 0.458 338 V N 2.919 122.452 119.914 -0.635 0.000 2.521 338 V HA 0.238 4.363 4.120 0.008 0.000 0.286 338 V C 1.205 176.885 176.094 -0.690 0.000 1.034 338 V CA 1.184 63.080 62.300 -0.673 0.000 1.045 338 V CB 1.045 32.317 31.823 -0.919 0.000 0.974 338 V HN 1.080 nan 8.190 nan 0.000 0.480 339 S N 1.766 117.274 115.700 -0.320 0.000 2.733 339 S HA 0.050 4.524 4.470 0.008 0.000 0.247 339 S C 0.798 175.380 174.600 -0.029 0.000 1.043 339 S CA 0.069 58.166 58.200 -0.171 0.000 1.066 339 S CB -0.372 62.767 63.200 -0.101 0.000 1.045 339 S HN 0.914 nan 8.310 nan 0.000 0.586 340 N N 0.411 119.104 118.700 -0.011 0.000 2.203 340 N HA 0.302 5.046 4.740 0.008 0.000 0.207 340 N C 0.165 175.733 175.510 0.097 0.000 1.130 340 N CA -0.477 52.607 53.050 0.057 0.000 0.861 340 N CB 0.104 38.628 38.487 0.061 0.000 1.005 340 N HN 0.260 nan 8.380 nan 0.000 0.507 341 M N 1.267 120.939 119.600 0.120 0.000 2.359 341 M HA 0.307 4.792 4.480 0.008 0.000 0.322 341 M C -0.542 175.906 176.300 0.246 0.000 1.166 341 M CA -0.789 54.635 55.300 0.206 0.000 1.067 341 M CB 2.278 35.040 32.600 0.271 0.000 1.523 341 M HN 0.126 nan 8.290 nan 0.000 0.467 342 L N 2.831 124.186 121.223 0.220 0.000 2.295 342 L HA 0.473 4.818 4.340 0.008 0.000 0.285 342 L C -1.288 175.702 176.870 0.200 0.000 1.035 342 L CA -0.922 54.033 54.840 0.191 0.000 0.806 342 L CB 1.079 43.203 42.059 0.107 0.000 1.214 342 L HN 0.548 nan 8.230 nan 0.000 0.426 343 L N 5.510 126.847 121.223 0.191 0.000 2.257 343 L HA 0.439 4.784 4.340 0.008 0.000 0.290 343 L C -0.459 176.429 176.870 0.030 0.000 1.044 343 L CA 0.298 55.135 54.840 -0.006 0.000 0.810 343 L CB 1.044 43.088 42.059 -0.025 0.000 1.193 343 L HN 0.612 nan 8.230 nan 0.000 0.425 344 E N 6.607 126.745 120.200 -0.104 0.000 2.158 344 E HA 0.439 4.794 4.350 0.008 0.000 0.271 344 E C -1.604 174.907 176.600 -0.148 0.000 0.911 344 E CA -0.457 55.900 56.400 -0.073 0.000 0.767 344 E CB 1.233 30.891 29.700 -0.071 0.000 1.120 344 E HN 0.724 nan 8.360 nan 0.000 0.405 345 I N 2.307 122.789 120.570 -0.146 0.000 2.534 345 I HA 0.262 4.437 4.170 0.008 0.000 0.288 345 I C 0.797 176.704 176.117 -0.350 0.000 1.077 345 I CA -0.752 60.332 61.300 -0.360 0.000 1.051 345 I CB 2.090 39.790 38.000 -0.501 0.000 1.234 345 I HN 0.783 nan 8.210 nan 0.000 0.425 346 G N 4.104 112.736 108.800 -0.280 0.000 2.361 346 G HA2 -0.135 3.830 3.960 0.008 0.000 0.294 346 G HA3 -0.135 3.830 3.960 0.008 0.000 0.294 346 G C 1.051 176.037 174.900 0.145 0.000 1.004 346 G CA 0.920 46.063 45.100 0.072 0.000 0.870 346 G HN 1.626 nan 8.290 nan 0.000 0.510 347 G N -2.034 106.787 108.800 0.036 0.000 2.225 347 G HA2 -0.246 3.719 3.960 0.008 0.000 0.254 347 G HA3 -0.246 3.719 3.960 0.008 0.000 0.254 347 G C 0.500 175.370 174.900 -0.051 0.000 0.988 347 G CA 0.444 45.564 45.100 0.032 0.000 0.625 347 G HN 1.277 nan 8.290 nan 0.000 0.527 348 L N 1.058 122.198 121.223 -0.139 0.000 2.349 348 L HA 0.525 4.869 4.340 0.008 0.000 0.275 348 L C 0.263 176.954 176.870 -0.299 0.000 1.115 348 L CA -0.321 54.330 54.840 -0.316 0.000 0.820 348 L CB 0.988 42.750 42.059 -0.495 0.000 1.135 348 L HN 0.208 nan 8.230 nan 0.000 0.445 349 E N 3.260 123.237 120.200 -0.372 0.000 2.129 349 E HA 0.307 4.662 4.350 0.008 0.000 0.268 349 E C -1.345 175.039 176.600 -0.361 0.000 0.900 349 E CA -0.371 55.881 56.400 -0.247 0.000 0.755 349 E CB 1.319 30.941 29.700 -0.130 0.000 1.117 349 E HN 0.296 nan 8.360 nan 0.000 0.410 350 F N 2.308 122.231 119.950 -0.045 0.000 2.384 350 F HA 0.063 4.596 4.527 0.010 0.000 0.359 350 F C 1.678 177.517 175.800 0.065 0.000 1.143 350 F CA -0.399 57.602 58.000 0.002 0.000 1.216 350 F CB 0.688 39.672 39.000 -0.027 0.000 1.512 350 F HN 0.447 nan 8.300 nan 0.000 0.573 351 S N 1.226 117.026 115.700 0.168 0.000 2.465 351 S HA 0.026 4.501 4.470 0.008 0.000 0.241 351 S C 0.871 175.604 174.600 0.222 0.000 1.000 351 S CA 0.500 58.799 58.200 0.164 0.000 0.964 351 S CB -0.080 63.193 63.200 0.120 0.000 0.763 351 S HN 0.468 nan 8.310 nan 0.000 0.512 352 A N 0.322 123.322 122.820 0.301 0.000 2.410 352 A HA 0.827 5.152 4.320 0.008 0.000 0.289 352 A C -0.205 177.633 177.584 0.424 0.000 1.200 352 A CA -0.169 52.078 52.037 0.349 0.000 0.751 352 A CB 1.068 20.270 19.000 0.338 0.000 1.161 352 A HN 1.106 nan 8.150 nan 0.000 0.459 353 A N 4.139 127.151 122.820 0.321 0.000 3.330 353 A HA 0.611 4.936 4.320 0.008 0.000 0.256 353 A C -3.062 174.656 177.584 0.223 0.000 1.185 353 A CA -0.834 51.340 52.037 0.228 0.000 0.940 353 A CB 0.378 19.506 19.000 0.213 0.000 1.397 353 A HN 0.519 nan 8.150 nan 0.000 0.678 354 P HA 0.408 nan 4.420 nan 0.000 0.268 354 P C -0.746 176.544 177.300 -0.016 0.000 1.204 354 P CA 0.465 63.511 63.100 -0.090 0.000 0.768 354 P CB 0.240 31.852 31.700 -0.147 0.000 0.842 355 F N -0.052 119.833 119.950 -0.108 0.000 2.576 355 F HA 0.765 5.296 4.527 0.007 0.000 0.313 355 F C -0.538 175.167 175.800 -0.159 0.000 1.078 355 F CA -1.215 56.722 58.000 -0.105 0.000 0.921 355 F CB 1.617 40.442 39.000 -0.291 0.000 1.232 355 F HN 0.397 nan 8.300 nan 0.000 0.459 356 S N 0.576 116.364 115.700 0.146 0.000 2.588 356 S HA 0.985 5.460 4.470 0.008 0.000 0.275 356 S C -0.682 173.885 174.600 -0.055 0.000 1.130 356 S CA -0.193 58.027 58.200 0.033 0.000 0.855 356 S CB 1.580 64.864 63.200 0.140 0.000 1.116 356 S HN 1.468 nan 8.310 nan 0.000 0.472 357 G N -0.231 108.497 108.800 -0.121 0.000 3.354 357 G HA2 0.716 4.681 3.960 0.008 0.000 0.174 357 G HA3 0.716 4.681 3.960 0.008 0.000 0.174 357 G C -1.696 173.217 174.900 0.022 0.000 1.140 357 G CA -0.335 44.631 45.100 -0.223 0.000 0.897 357 G HN 1.127 nan 8.290 nan 0.000 0.685 358 W N -1.421 119.878 121.300 -0.003 0.000 3.031 358 W HA 0.823 5.487 4.660 0.006 0.000 0.337 358 W C -1.655 174.862 176.519 -0.003 0.000 1.187 358 W CA -2.055 55.304 57.345 0.024 0.000 1.166 358 W CB 0.487 30.003 29.460 0.093 0.000 1.437 358 W HN 0.411 nan 8.180 nan 0.000 0.551 359 Y N 2.470 122.943 120.300 0.288 0.000 2.326 359 Y HA 0.325 4.880 4.550 0.009 0.000 0.333 359 Y C 0.774 176.720 175.900 0.077 0.000 1.240 359 Y CA -0.763 57.388 58.100 0.086 0.000 1.365 359 Y CB 1.186 39.603 38.460 -0.072 0.000 1.289 359 Y HN 0.454 nan 8.280 nan 0.000 0.548 360 M N 1.826 121.564 119.600 0.231 0.000 2.268 360 M HA 0.210 4.695 4.480 0.008 0.000 0.344 360 M C 1.056 177.343 176.300 -0.022 0.000 1.106 360 M CA -0.317 55.047 55.300 0.106 0.000 1.010 360 M CB 1.226 33.868 32.600 0.070 0.000 1.649 360 M HN 0.845 nan 8.290 nan 0.000 0.443 361 S N 1.504 117.156 115.700 -0.080 0.000 2.400 361 S HA -0.226 4.249 4.470 0.008 0.000 0.234 361 S C 1.448 175.915 174.600 -0.222 0.000 1.049 361 S CA 2.371 60.455 58.200 -0.193 0.000 1.039 361 S CB -1.459 61.674 63.200 -0.112 0.000 0.856 361 S HN 0.931 nan 8.310 nan 0.000 0.465 362 T N -0.245 114.212 114.554 -0.162 0.000 2.962 362 T HA 0.014 4.369 4.350 0.008 0.000 0.270 362 T C 1.547 176.094 174.700 -0.256 0.000 1.088 362 T CA 1.175 63.136 62.100 -0.232 0.000 1.127 362 T CB -0.554 68.148 68.868 -0.276 0.000 0.883 362 T HN 0.623 nan 8.240 nan 0.000 0.493 363 E N 0.765 120.824 120.200 -0.234 0.000 2.110 363 E HA -0.010 4.345 4.350 0.008 0.000 0.193 363 E C 1.954 178.260 176.600 -0.490 0.000 0.988 363 E CA 1.196 57.449 56.400 -0.245 0.000 0.804 363 E CB -0.220 29.459 29.700 -0.034 0.000 0.745 363 E HN 0.600 nan 8.360 nan 0.000 0.458 364 I N -0.057 120.103 120.570 -0.684 0.000 2.368 364 I HA -0.028 4.146 4.170 0.008 0.000 0.238 364 I C 2.574 178.342 176.117 -0.581 0.000 1.076 364 I CA 0.801 61.541 61.300 -0.932 0.000 1.397 364 I CB -0.532 36.838 38.000 -1.050 0.000 1.141 364 I HN 0.091 nan 8.210 nan 0.000 0.430 365 G N 0.207 108.769 108.800 -0.396 0.000 2.432 365 G HA2 -0.179 3.786 3.960 0.008 0.000 0.219 365 G HA3 -0.179 3.786 3.960 0.008 0.000 0.219 365 G C 1.588 176.377 174.900 -0.186 0.000 1.135 365 G CA 1.626 46.588 45.100 -0.231 0.000 0.767 365 G HN 0.310 nan 8.290 nan 0.000 0.550 366 T N -0.262 114.157 114.554 -0.225 0.000 3.053 366 T HA 0.113 4.468 4.350 0.008 0.000 0.236 366 T C 2.516 177.105 174.700 -0.185 0.000 0.996 366 T CA 0.207 62.194 62.100 -0.188 0.000 1.185 366 T CB 0.097 68.837 68.868 -0.213 0.000 0.892 366 T HN 0.009 nan 8.240 nan 0.000 0.432 367 R N 2.097 122.465 120.500 -0.220 0.000 2.056 367 R HA 0.148 4.493 4.340 0.008 0.000 0.227 367 R C 2.202 178.381 176.300 -0.201 0.000 1.149 367 R CA 1.099 57.077 56.100 -0.202 0.000 0.937 367 R CB -1.287 28.895 30.300 -0.196 0.000 0.835 367 R HN 0.310 nan 8.270 nan 0.000 0.430 368 N N 1.048 119.579 118.700 -0.281 0.000 2.104 368 N HA -0.114 4.630 4.740 0.008 0.000 0.190 368 N C 1.953 177.392 175.510 -0.119 0.000 1.024 368 N CA 1.162 54.046 53.050 -0.276 0.000 0.853 368 N CB -0.255 37.743 38.487 -0.815 0.000 1.008 368 N HN 0.201 nan 8.380 nan 0.000 0.424 369 L N -0.854 120.249 121.223 -0.200 0.000 2.298 369 L HA 0.076 4.421 4.340 0.008 0.000 0.209 369 L C 1.410 178.309 176.870 0.049 0.000 1.084 369 L CA 0.423 55.246 54.840 -0.028 0.000 0.816 369 L CB 0.164 42.179 42.059 -0.072 0.000 0.967 369 L HN 0.161 nan 8.230 nan 0.000 0.460 370 C N -1.478 117.809 119.300 -0.023 0.000 3.065 370 C HA 0.168 4.633 4.460 0.008 0.000 0.285 370 C C 0.720 175.693 174.990 -0.028 0.000 1.257 370 C CA -0.924 58.091 59.018 -0.005 0.000 1.691 370 C CB -0.372 27.352 27.740 -0.027 0.000 2.089 370 C HN 0.295 nan 8.230 nan 0.000 0.630 371 D N 2.918 123.269 120.400 -0.083 0.000 2.472 371 D HA 0.044 4.689 4.640 0.008 0.000 0.237 371 D C -1.057 175.202 176.300 -0.069 0.000 1.141 371 D CA -1.290 52.628 54.000 -0.137 0.000 0.875 371 D CB 0.698 41.267 40.800 -0.386 0.000 1.192 371 D HN 0.190 nan 8.370 nan 0.000 0.450 372 P HA -0.152 nan 4.420 nan 0.000 0.220 372 P C 0.664 178.040 177.300 0.127 0.000 1.148 372 P CA 1.293 64.456 63.100 0.104 0.000 0.803 372 P CB 0.022 31.805 31.700 0.138 0.000 0.782 373 H N -2.422 116.657 119.070 0.016 0.000 2.517 373 H HA 0.365 4.926 4.556 0.008 0.000 0.282 373 H C 0.973 176.310 175.328 0.015 0.000 1.023 373 H CA -0.315 55.740 56.048 0.012 0.000 1.169 373 H CB -0.007 29.762 29.762 0.012 0.000 1.454 373 H HN -0.031 nan 8.280 nan 0.000 0.556 374 R N -0.159 120.249 120.500 -0.154 0.000 3.006 374 R HA 0.181 4.526 4.340 0.008 0.000 0.150 374 R C 1.080 177.352 176.300 -0.047 0.000 1.285 374 R CA -0.727 55.323 56.100 -0.083 0.000 0.813 374 R CB -0.812 29.456 30.300 -0.053 0.000 1.582 374 R HN 0.079 nan 8.270 nan 0.000 0.441 375 Y N 1.619 121.935 120.300 0.028 0.000 2.421 375 Y HA -0.045 4.510 4.550 0.008 0.000 0.292 375 Y C 0.716 176.640 175.900 0.040 0.000 1.136 375 Y CA 1.270 59.402 58.100 0.052 0.000 1.255 375 Y CB -0.369 38.163 38.460 0.120 0.000 0.991 375 Y HN 0.551 nan 8.280 nan 0.000 0.552 376 N N 0.867 119.651 118.700 0.141 0.000 2.686 376 N HA -0.225 4.520 4.740 0.008 0.000 0.261 376 N C 0.540 176.128 175.510 0.130 0.000 1.001 376 N CA 0.321 53.433 53.050 0.103 0.000 0.764 376 N CB -0.967 37.564 38.487 0.072 0.000 0.898 376 N HN 0.617 nan 8.380 nan 0.000 0.544 377 I N -3.006 117.655 120.570 0.152 0.000 3.793 377 I HA 0.019 4.193 4.170 0.008 0.000 0.315 377 I C 1.701 177.911 176.117 0.155 0.000 1.275 377 I CA -0.423 60.966 61.300 0.148 0.000 1.214 377 I CB 0.005 38.099 38.000 0.157 0.000 1.018 377 I HN 0.124 nan 8.210 nan 0.000 0.439 378 L N 1.905 123.224 121.223 0.161 0.000 1.997 378 L HA -0.259 4.086 4.340 0.008 0.000 0.216 378 L C 2.602 179.669 176.870 0.329 0.000 1.074 378 L CA 2.199 57.163 54.840 0.206 0.000 0.763 378 L CB -1.051 41.088 42.059 0.134 0.000 0.890 378 L HN 0.504 nan 8.230 nan 0.000 0.434 379 E N -1.071 119.333 120.200 0.340 0.000 2.077 379 E HA -0.234 4.121 4.350 0.008 0.000 0.193 379 E C 1.758 178.410 176.600 0.088 0.000 0.989 379 E CA 1.366 57.916 56.400 0.251 0.000 0.800 379 E CB 0.044 29.829 29.700 0.143 0.000 0.746 379 E HN 0.518 nan 8.360 nan 0.000 0.452 380 D N 0.052 120.498 120.400 0.076 0.000 2.092 380 D HA -0.162 4.483 4.640 0.008 0.000 0.193 380 D C 2.101 178.399 176.300 -0.003 0.000 0.994 380 D CA 1.225 55.233 54.000 0.014 0.000 0.828 380 D CB -0.355 40.461 40.800 0.025 0.000 0.963 380 D HN 0.125 nan 8.370 nan 0.000 0.450 381 V N 1.639 121.603 119.914 0.083 0.000 2.343 381 V HA -0.237 3.888 4.120 0.008 0.000 0.247 381 V C 2.585 178.748 176.094 0.115 0.000 1.051 381 V CA 1.778 64.168 62.300 0.150 0.000 1.036 381 V CB -0.840 31.163 31.823 0.301 0.000 0.654 381 V HN 0.183 nan 8.190 nan 0.000 0.451 382 A N -0.212 122.705 122.820 0.162 0.000 1.908 382 A HA -0.186 4.139 4.320 0.008 0.000 0.218 382 A C 2.411 179.977 177.584 -0.030 0.000 1.181 382 A CA 2.201 54.330 52.037 0.154 0.000 0.627 382 A CB -0.755 18.442 19.000 0.327 0.000 0.818 382 A HN 0.336 nan 8.150 nan 0.000 0.445 383 V N -0.741 119.109 119.914 -0.107 0.000 2.343 383 V HA -0.338 3.787 4.120 0.008 0.000 0.247 383 V C 2.649 178.590 176.094 -0.255 0.000 1.051 383 V CA 2.114 64.306 62.300 -0.179 0.000 1.036 383 V CB -1.041 30.680 31.823 -0.171 0.000 0.654 383 V HN 0.729 nan 8.190 nan 0.000 0.451 384 C N -0.505 118.570 119.300 -0.376 0.000 2.422 384 C HA -0.133 4.332 4.460 0.008 0.000 0.279 384 C C 2.574 177.147 174.990 -0.696 0.000 1.305 384 C CA 0.923 59.475 59.018 -0.776 0.000 1.757 384 C CB -1.038 25.849 27.740 -1.423 0.000 1.962 384 C HN 0.527 nan 8.230 nan 0.000 0.499 385 M N 0.028 119.453 119.600 -0.292 0.000 2.618 385 M HA 0.049 4.534 4.480 0.008 0.000 0.240 385 M C 0.337 176.617 176.300 -0.034 0.000 1.123 385 M CA 0.743 56.033 55.300 -0.016 0.000 1.060 385 M CB -0.493 32.206 32.600 0.164 0.000 1.535 385 M HN 0.236 nan 8.290 nan 0.000 0.507 386 D N 1.607 121.940 120.400 -0.111 0.000 2.699 386 D HA -0.149 4.496 4.640 0.008 0.000 0.239 386 D C -1.003 175.270 176.300 -0.046 0.000 1.136 386 D CA 0.480 54.426 54.000 -0.089 0.000 0.668 386 D CB -0.706 40.050 40.800 -0.073 0.000 1.060 386 D HN 0.310 nan 8.370 nan 0.000 0.429 387 L N -0.254 120.945 121.223 -0.040 0.000 2.387 387 L HA 0.429 4.774 4.340 0.008 0.000 0.266 387 L C 0.870 177.684 176.870 -0.095 0.000 1.059 387 L CA -0.956 53.884 54.840 -0.001 0.000 0.801 387 L CB 0.820 42.948 42.059 0.114 0.000 1.223 387 L HN -0.031 nan 8.230 nan 0.000 0.456 388 D N 0.579 120.941 120.400 -0.062 0.000 2.435 388 D HA 0.019 4.664 4.640 0.008 0.000 0.230 388 D C 1.021 177.113 176.300 -0.346 0.000 1.215 388 D CA -0.156 53.764 54.000 -0.134 0.000 0.947 388 D CB 0.726 41.507 40.800 -0.032 0.000 1.048 388 D HN 0.604 nan 8.370 nan 0.000 0.512 389 T N 0.615 114.764 114.554 -0.674 0.000 3.194 389 T HA 0.066 4.421 4.350 0.008 0.000 0.251 389 T C 1.414 175.697 174.700 -0.695 0.000 1.132 389 T CA 0.080 61.307 62.100 -1.454 0.000 1.028 389 T CB 0.046 68.019 68.868 -1.493 0.000 0.976 389 T HN 0.157 nan 8.240 nan 0.000 0.535 390 R N 0.544 120.854 120.500 -0.316 0.000 2.276 390 R HA 0.282 4.626 4.340 0.008 0.000 0.196 390 R C 0.842 177.144 176.300 0.003 0.000 0.961 390 R CA 0.322 56.347 56.100 -0.124 0.000 1.024 390 R CB 0.315 30.558 30.300 -0.095 0.000 0.940 390 R HN 0.361 nan 8.270 nan 0.000 0.480 391 T N -1.390 113.205 114.554 0.068 0.000 2.912 391 T HA 0.147 4.502 4.350 0.008 0.000 0.299 391 T C 1.111 175.989 174.700 0.296 0.000 1.052 391 T CA -0.512 61.677 62.100 0.149 0.000 0.996 391 T CB 1.564 70.485 68.868 0.089 0.000 1.070 391 T HN 0.221 nan 8.240 nan 0.000 0.465 392 T N 0.941 115.633 114.554 0.229 0.000 2.821 392 T HA -0.101 4.254 4.350 0.008 0.000 0.267 392 T C 2.150 176.920 174.700 0.116 0.000 1.046 392 T CA 1.691 63.896 62.100 0.175 0.000 1.139 392 T CB -0.791 68.126 68.868 0.081 0.000 0.871 392 T HN 0.710 nan 8.240 nan 0.000 0.454 393 S N 2.226 117.986 115.700 0.099 0.000 2.528 393 S HA -0.108 4.367 4.470 0.008 0.000 0.244 393 S C 2.120 176.772 174.600 0.086 0.000 0.982 393 S CA 1.022 59.265 58.200 0.071 0.000 0.953 393 S CB -0.986 62.248 63.200 0.056 0.000 0.754 393 S HN 0.804 nan 8.310 nan 0.000 0.529 394 S N 1.592 117.379 115.700 0.146 0.000 2.496 394 S HA 0.242 4.717 4.470 0.008 0.000 0.224 394 S C 0.942 175.630 174.600 0.146 0.000 0.996 394 S CA 0.242 58.535 58.200 0.156 0.000 0.927 394 S CB -0.915 62.410 63.200 0.208 0.000 0.774 394 S HN 0.650 nan 8.310 nan 0.000 0.524 395 L N 1.015 122.299 121.223 0.103 0.000 3.717 395 L HA -0.158 4.187 4.340 0.008 0.000 0.411 395 L C 1.524 178.406 176.870 0.022 0.000 1.233 395 L CA 0.567 55.402 54.840 -0.008 0.000 0.917 395 L CB -2.522 39.539 42.059 0.002 0.000 1.902 395 L HN 0.711 nan 8.230 nan 0.000 0.894 396 W N -0.116 121.195 121.300 0.020 0.000 2.374 396 W HA -0.118 4.547 4.660 0.008 0.000 0.288 396 W C 1.716 178.254 176.519 0.031 0.000 1.218 396 W CA 1.273 58.633 57.345 0.025 0.000 1.245 396 W CB -0.700 28.771 29.460 0.017 0.000 1.126 396 W HN 0.301 nan 8.180 nan 0.000 0.545 397 K N 1.081 121.080 120.400 -0.667 0.000 2.025 397 K HA -0.150 4.175 4.320 0.008 0.000 0.207 397 K C 1.545 178.012 176.600 -0.222 0.000 1.049 397 K CA 2.267 58.198 56.287 -0.594 0.000 0.933 397 K CB -0.355 31.636 32.500 -0.848 0.000 0.714 397 K HN 0.015 nan 8.250 nan 0.000 0.438 398 D N 0.771 121.059 120.400 -0.187 0.000 2.117 398 D HA -0.136 4.509 4.640 0.008 0.000 0.197 398 D C 1.685 177.977 176.300 -0.014 0.000 0.987 398 D CA 1.264 55.211 54.000 -0.089 0.000 0.829 398 D CB 0.026 40.783 40.800 -0.072 0.000 0.961 398 D HN 0.133 nan 8.370 nan 0.000 0.460 399 K N 0.558 120.976 120.400 0.030 0.000 2.001 399 K HA -0.018 4.307 4.320 0.008 0.000 0.208 399 K C 2.273 178.941 176.600 0.113 0.000 1.048 399 K CA 1.150 57.486 56.287 0.082 0.000 0.932 399 K CB -0.228 32.341 32.500 0.116 0.000 0.715 399 K HN 0.086 nan 8.250 nan 0.000 0.437 400 A N 1.715 124.622 122.820 0.146 0.000 1.883 400 A HA -0.172 4.153 4.320 0.008 0.000 0.217 400 A C 2.415 180.090 177.584 0.153 0.000 1.186 400 A CA 2.040 54.194 52.037 0.195 0.000 0.624 400 A CB -0.832 18.314 19.000 0.242 0.000 0.822 400 A HN 0.360 nan 8.150 nan 0.000 0.444 401 A N -0.649 122.216 122.820 0.075 0.000 1.908 401 A HA -0.031 4.294 4.320 0.008 0.000 0.218 401 A C 2.247 179.849 177.584 0.030 0.000 1.181 401 A CA 1.861 53.916 52.037 0.031 0.000 0.627 401 A CB -0.995 17.983 19.000 -0.038 0.000 0.818 401 A HN 0.413 nan 8.150 nan 0.000 0.445 402 V N 0.387 120.325 119.914 0.039 0.000 2.287 402 V HA -0.228 3.896 4.120 0.008 0.000 0.248 402 V C 2.555 178.689 176.094 0.066 0.000 1.053 402 V CA 2.212 64.540 62.300 0.047 0.000 1.027 402 V CB -0.698 31.160 31.823 0.058 0.000 0.646 402 V HN 0.537 nan 8.190 nan 0.000 0.447 403 E N -0.199 120.070 120.200 0.115 0.000 2.150 403 E HA -0.113 4.242 4.350 0.008 0.000 0.193 403 E C 2.105 178.757 176.600 0.087 0.000 0.985 403 E CA 1.121 57.626 56.400 0.174 0.000 0.814 403 E CB -0.243 29.577 29.700 0.201 0.000 0.752 403 E HN 0.595 nan 8.360 nan 0.000 0.466 404 I N 1.415 122.054 120.570 0.116 0.000 2.286 404 I HA -0.220 3.955 4.170 0.008 0.000 0.245 404 I C 2.110 178.206 176.117 -0.035 0.000 1.104 404 I CA 0.723 62.084 61.300 0.103 0.000 1.397 404 I CB -0.298 37.826 38.000 0.207 0.000 1.072 404 I HN 0.059 nan 8.210 nan 0.000 0.417 405 N N 0.837 119.516 118.700 -0.036 0.000 2.166 405 N HA -0.173 4.572 4.740 0.008 0.000 0.186 405 N C 1.930 177.390 175.510 -0.082 0.000 1.019 405 N CA 1.186 54.194 53.050 -0.069 0.000 0.856 405 N CB -0.130 38.331 38.487 -0.045 0.000 0.993 405 N HN 0.207 nan 8.380 nan 0.000 0.426 406 L N 1.531 122.697 121.223 -0.094 0.000 2.056 406 L HA -0.033 4.312 4.340 0.008 0.000 0.207 406 L C 2.265 178.984 176.870 -0.252 0.000 1.078 406 L CA 1.374 56.119 54.840 -0.159 0.000 0.749 406 L CB -0.748 41.190 42.059 -0.201 0.000 0.901 406 L HN 0.045 nan 8.230 nan 0.000 0.433 407 A N -1.065 121.539 122.820 -0.359 0.000 1.883 407 A HA -0.164 4.161 4.320 0.008 0.000 0.217 407 A C 2.266 179.765 177.584 -0.142 0.000 1.186 407 A CA 2.075 53.861 52.037 -0.420 0.000 0.624 407 A CB -1.159 17.317 19.000 -0.872 0.000 0.822 407 A HN 0.298 nan 8.150 nan 0.000 0.444 408 V N 0.071 119.924 119.914 -0.102 0.000 2.287 408 V HA -0.291 3.834 4.120 0.008 0.000 0.248 408 V C 2.593 178.701 176.094 0.024 0.000 1.053 408 V CA 2.106 64.395 62.300 -0.018 0.000 1.027 408 V CB -0.807 30.922 31.823 -0.157 0.000 0.646 408 V HN 0.574 nan 8.190 nan 0.000 0.447 409 L N -0.622 120.575 121.223 -0.044 0.000 2.017 409 L HA -0.233 4.112 4.340 0.008 0.000 0.208 409 L C 2.626 179.527 176.870 0.053 0.000 1.073 409 L CA 2.202 57.035 54.840 -0.011 0.000 0.745 409 L CB -0.784 41.258 42.059 -0.028 0.000 0.894 409 L HN 0.484 nan 8.230 nan 0.000 0.432 410 H N -0.450 118.573 119.070 -0.079 0.000 2.321 410 H HA -0.131 4.430 4.556 0.009 0.000 0.300 410 H C 2.329 177.638 175.328 -0.032 0.000 1.087 410 H CA 1.941 57.935 56.048 -0.090 0.000 1.319 410 H CB 0.038 29.681 29.762 -0.199 0.000 1.379 410 H HN 0.142 nan 8.280 nan 0.000 0.501 411 S N -0.575 115.059 115.700 -0.110 0.000 2.383 411 S HA -0.089 4.386 4.470 0.008 0.000 0.227 411 S C 1.944 176.487 174.600 -0.095 0.000 1.026 411 S CA 1.132 59.246 58.200 -0.144 0.000 0.981 411 S CB -0.406 62.798 63.200 0.006 0.000 0.818 411 S HN 0.373 nan 8.310 nan 0.000 0.472 412 F N 1.876 121.757 119.950 -0.115 0.000 2.146 412 F HA -0.089 4.442 4.527 0.008 0.000 0.298 412 F C 2.754 178.498 175.800 -0.094 0.000 1.096 412 F CA 1.026 58.984 58.000 -0.070 0.000 1.275 412 F CB -0.261 38.722 39.000 -0.028 0.000 1.008 412 F HN 0.179 nan 8.300 nan 0.000 0.480 413 Q N -0.263 119.570 119.800 0.055 0.000 2.084 413 Q HA -0.220 4.125 4.340 0.008 0.000 0.202 413 Q C 2.167 178.107 176.000 -0.100 0.000 0.978 413 Q CA 1.452 57.240 55.803 -0.025 0.000 0.844 413 Q CB -0.363 28.358 28.738 -0.029 0.000 0.898 413 Q HN 0.366 nan 8.270 nan 0.000 0.426 414 L N 0.306 121.409 121.223 -0.200 0.000 2.046 414 L HA -0.083 4.262 4.340 0.008 0.000 0.208 414 L C 1.955 178.733 176.870 -0.153 0.000 1.077 414 L CA 1.850 56.559 54.840 -0.219 0.000 0.747 414 L CB -0.446 41.392 42.059 -0.368 0.000 0.896 414 L HN 0.110 nan 8.230 nan 0.000 0.432 415 A N -1.478 121.243 122.820 -0.165 0.000 2.235 415 A HA -0.010 4.315 4.320 0.008 0.000 0.208 415 A C 0.856 178.370 177.584 -0.117 0.000 1.172 415 A CA 0.197 52.142 52.037 -0.154 0.000 0.786 415 A CB -0.349 18.515 19.000 -0.227 0.000 0.804 415 A HN 0.418 nan 8.150 nan 0.000 0.479 416 K N -1.116 119.230 120.400 -0.090 0.000 3.096 416 K HA -0.131 4.194 4.320 0.008 0.000 0.266 416 K C -0.603 175.967 176.600 -0.050 0.000 1.043 416 K CA 0.811 57.061 56.287 -0.063 0.000 0.758 416 K CB -2.559 29.904 32.500 -0.060 0.000 1.260 416 K HN 0.303 nan 8.250 nan 0.000 0.481 417 V N 1.134 121.029 119.914 -0.031 0.000 2.459 417 V HA 0.185 4.310 4.120 0.008 0.000 0.295 417 V C 0.871 177.056 176.094 0.151 0.000 1.029 417 V CA -0.671 61.647 62.300 0.029 0.000 0.874 417 V CB 1.986 33.761 31.823 -0.081 0.000 0.985 417 V HN 0.251 nan 8.190 nan 0.000 0.438 418 T N 6.272 120.876 114.554 0.084 0.000 2.934 418 T HA 0.422 4.777 4.350 0.008 0.000 0.306 418 T C -0.243 174.523 174.700 0.111 0.000 1.042 418 T CA 0.850 62.930 62.100 -0.035 0.000 1.145 418 T CB 0.080 68.783 68.868 -0.276 0.000 0.982 418 T HN 0.576 nan 8.240 nan 0.000 0.544 419 I N 2.150 122.719 120.570 -0.003 0.000 2.882 419 I HA 0.586 4.761 4.170 0.008 0.000 0.298 419 I C -1.734 174.407 176.117 0.039 0.000 1.462 419 I CA -0.894 60.438 61.300 0.054 0.000 1.000 419 I CB 1.892 39.854 38.000 -0.064 0.000 1.340 419 I HN 0.446 nan 8.210 nan 0.000 0.462 420 V N 5.144 125.133 119.914 0.125 0.000 2.623 420 V HA 0.447 4.572 4.120 0.008 0.000 0.304 420 V C -1.118 175.018 176.094 0.070 0.000 1.054 420 V CA -0.295 62.079 62.300 0.123 0.000 0.882 420 V CB 2.147 34.127 31.823 0.262 0.000 1.002 420 V HN 0.881 nan 8.190 nan 0.000 0.424 421 D N 4.205 124.620 120.400 0.025 0.000 2.371 421 D HA 0.131 4.776 4.640 0.008 0.000 0.242 421 D C 1.309 177.584 176.300 -0.042 0.000 1.218 421 D CA 0.285 54.274 54.000 -0.018 0.000 0.945 421 D CB 0.394 41.147 40.800 -0.080 0.000 1.137 421 D HN 0.738 nan 8.370 nan 0.000 0.464 422 H N -0.615 118.365 119.070 -0.151 0.000 2.491 422 H HA -0.112 4.449 4.556 0.008 0.000 0.290 422 H C 0.927 176.138 175.328 -0.195 0.000 1.050 422 H CA 1.174 57.102 56.048 -0.201 0.000 1.309 422 H CB -0.486 29.104 29.762 -0.288 0.000 1.392 422 H HN 0.501 nan 8.280 nan 0.000 0.554 423 H N 1.182 120.081 119.070 -0.285 0.000 2.317 423 H HA 0.182 4.743 4.556 0.008 0.000 0.304 423 H C 2.536 177.847 175.328 -0.029 0.000 1.067 423 H CA 1.305 57.268 56.048 -0.142 0.000 1.352 423 H CB -0.347 29.297 29.762 -0.197 0.000 1.398 423 H HN 0.482 nan 8.280 nan 0.000 0.510 424 A N 1.505 124.382 122.820 0.095 0.000 1.902 424 A HA -0.096 4.228 4.320 0.008 0.000 0.217 424 A C 2.683 180.336 177.584 0.115 0.000 1.181 424 A CA 1.807 53.901 52.037 0.094 0.000 0.623 424 A CB -0.856 18.189 19.000 0.075 0.000 0.818 424 A HN 0.432 nan 8.150 nan 0.000 0.443 425 A N -0.155 122.729 122.820 0.106 0.000 1.865 425 A HA -0.154 4.171 4.320 0.008 0.000 0.217 425 A C 2.485 180.158 177.584 0.149 0.000 1.191 425 A CA 2.818 54.933 52.037 0.129 0.000 0.623 425 A CB -1.489 17.570 19.000 0.098 0.000 0.826 425 A HN 0.793 nan 8.150 nan 0.000 0.444 426 T N -2.893 111.736 114.554 0.124 0.000 2.904 426 T HA -0.053 4.302 4.350 0.008 0.000 0.267 426 T C 1.686 176.517 174.700 0.219 0.000 1.059 426 T CA 1.300 63.500 62.100 0.167 0.000 1.137 426 T CB -0.686 68.249 68.868 0.111 0.000 0.879 426 T HN 0.049 nan 8.240 nan 0.000 0.467 427 V N 2.867 122.884 119.914 0.171 0.000 2.343 427 V HA -0.167 3.958 4.120 0.008 0.000 0.247 427 V C 3.198 179.384 176.094 0.153 0.000 1.051 427 V CA 2.139 64.530 62.300 0.152 0.000 1.036 427 V CB -0.904 30.990 31.823 0.118 0.000 0.654 427 V HN 0.808 nan 8.190 nan 0.000 0.451 428 S N -0.558 115.242 115.700 0.166 0.000 2.453 428 S HA -0.163 4.312 4.470 0.008 0.000 0.231 428 S C 1.898 176.622 174.600 0.206 0.000 1.005 428 S CA 1.213 59.510 58.200 0.163 0.000 0.949 428 S CB -0.619 62.679 63.200 0.163 0.000 0.774 428 S HN 0.532 nan 8.310 nan 0.000 0.510 429 F N 2.101 122.111 119.950 0.100 0.000 2.259 429 F HA 0.200 4.731 4.527 0.008 0.000 0.298 429 F C 2.139 178.027 175.800 0.146 0.000 1.088 429 F CA 0.888 58.961 58.000 0.120 0.000 1.358 429 F CB -0.292 38.757 39.000 0.082 0.000 1.040 429 F HN 0.093 nan 8.300 nan 0.000 0.505 430 M N 0.166 119.834 119.600 0.113 0.000 2.159 430 M HA -0.168 4.317 4.480 0.008 0.000 0.263 430 M C 2.178 178.452 176.300 -0.044 0.000 1.063 430 M CA 1.441 56.752 55.300 0.020 0.000 1.110 430 M CB -1.196 31.466 32.600 0.103 0.000 1.374 430 M HN 0.070 nan 8.290 nan 0.000 0.411 431 K N -0.291 120.116 120.400 0.012 0.000 2.097 431 K HA -0.188 4.137 4.320 0.008 0.000 0.205 431 K C 1.953 178.540 176.600 -0.023 0.000 1.050 431 K CA 1.628 57.919 56.287 0.007 0.000 0.938 431 K CB -0.611 31.917 32.500 0.047 0.000 0.718 431 K HN 0.392 nan 8.250 nan 0.000 0.442 432 H N -0.041 118.943 119.070 -0.142 0.000 2.387 432 H HA 0.017 4.578 4.556 0.008 0.000 0.299 432 H C 1.652 176.824 175.328 -0.259 0.000 1.090 432 H CA 2.001 57.943 56.048 -0.177 0.000 1.332 432 H CB -0.107 29.526 29.762 -0.215 0.000 1.386 432 H HN 0.165 nan 8.280 nan 0.000 0.516 433 L N 0.021 120.978 121.223 -0.444 0.000 2.046 433 L HA -0.169 4.176 4.340 0.008 0.000 0.208 433 L C 2.009 178.726 176.870 -0.255 0.000 1.077 433 L CA 1.431 56.024 54.840 -0.413 0.000 0.747 433 L CB -0.334 41.528 42.059 -0.327 0.000 0.896 433 L HN 0.383 nan 8.230 nan 0.000 0.432 434 D N -0.155 120.142 120.400 -0.170 0.000 2.117 434 D HA -0.150 4.495 4.640 0.008 0.000 0.198 434 D C 1.908 178.138 176.300 -0.116 0.000 0.982 434 D CA 1.012 54.948 54.000 -0.108 0.000 0.828 434 D CB -0.365 40.398 40.800 -0.062 0.000 0.967 434 D HN 0.288 nan 8.370 nan 0.000 0.464 435 N N 1.195 119.815 118.700 -0.132 0.000 2.069 435 N HA -0.136 4.608 4.740 0.008 0.000 0.191 435 N C 1.639 177.064 175.510 -0.142 0.000 1.031 435 N CA 0.843 53.831 53.050 -0.103 0.000 0.852 435 N CB -0.249 38.203 38.487 -0.059 0.000 1.018 435 N HN 0.277 nan 8.380 nan 0.000 0.423 436 E N 0.633 120.669 120.200 -0.273 0.000 2.150 436 E HA -0.150 4.204 4.350 0.008 0.000 0.193 436 E C 1.887 178.388 176.600 -0.165 0.000 0.985 436 E CA 0.522 56.761 56.400 -0.267 0.000 0.814 436 E CB -0.108 29.325 29.700 -0.446 0.000 0.752 436 E HN 0.329 nan 8.360 nan 0.000 0.466 437 Q N 1.631 121.342 119.800 -0.147 0.000 2.030 437 Q HA -0.148 4.197 4.340 0.008 0.000 0.204 437 Q C 1.841 177.795 176.000 -0.077 0.000 0.986 437 Q CA 1.830 57.576 55.803 -0.094 0.000 0.843 437 Q CB -0.021 28.671 28.738 -0.077 0.000 0.904 437 Q HN 0.140 nan 8.270 nan 0.000 0.420 438 K N -0.605 119.752 120.400 -0.071 0.000 2.026 438 K HA -0.057 4.267 4.320 0.008 0.000 0.208 438 K C 2.073 178.642 176.600 -0.051 0.000 1.048 438 K CA 1.226 57.481 56.287 -0.053 0.000 0.929 438 K CB -0.297 32.178 32.500 -0.042 0.000 0.713 438 K HN 0.258 nan 8.250 nan 0.000 0.439 439 A N 1.301 124.088 122.820 -0.054 0.000 1.897 439 A HA -0.084 4.241 4.320 0.008 0.000 0.215 439 A C 1.810 179.363 177.584 -0.052 0.000 1.181 439 A CA 1.230 53.243 52.037 -0.040 0.000 0.620 439 A CB -0.065 18.923 19.000 -0.020 0.000 0.821 439 A HN 0.182 nan 8.150 nan 0.000 0.443 440 R N -2.467 117.989 120.500 -0.074 0.000 2.531 440 R HA 0.269 4.614 4.340 0.008 0.000 0.316 440 R C 0.824 177.079 176.300 -0.073 0.000 0.955 440 R CA 0.504 56.562 56.100 -0.069 0.000 1.120 440 R CB 0.643 30.898 30.300 -0.076 0.000 1.361 440 R HN 0.691 nan 8.270 nan 0.000 0.534 441 G N 0.985 109.736 108.800 -0.080 0.000 2.160 441 G HA2 -0.187 3.777 3.960 0.008 0.000 0.244 441 G HA3 -0.187 3.777 3.960 0.008 0.000 0.244 441 G C 0.230 175.092 174.900 -0.063 0.000 1.022 441 G CA 0.104 45.150 45.100 -0.091 0.000 0.741 441 G HN 0.733 nan 8.290 nan 0.000 0.508 442 G N -2.440 106.334 108.800 -0.042 0.000 2.356 442 G HA2 0.532 4.497 3.960 0.008 0.000 0.300 442 G HA3 0.532 4.497 3.960 0.008 0.000 0.300 442 G C -0.769 174.138 174.900 0.012 0.000 1.331 442 G CA 0.430 45.538 45.100 0.014 0.000 0.905 442 G HN 1.993 nan 8.290 nan 0.000 0.587 443 C N 2.014 121.351 119.300 0.062 0.000 2.833 443 C HA 0.701 5.166 4.460 0.008 0.000 0.383 443 C C -2.539 172.431 174.990 -0.034 0.000 1.058 443 C CA -1.111 57.901 59.018 -0.010 0.000 1.259 443 C CB 1.219 28.890 27.740 -0.115 0.000 1.726 443 C HN 0.736 nan 8.230 nan 0.000 0.484 444 P HA 0.385 nan 4.420 nan 0.000 0.267 444 P C -0.637 176.546 177.300 -0.195 0.000 1.209 444 P CA 0.614 63.319 63.100 -0.658 0.000 0.763 444 P CB 1.030 32.081 31.700 -1.082 0.000 0.816 445 A N 2.745 125.518 122.820 -0.078 0.000 2.455 445 A HA 0.381 4.706 4.320 0.008 0.000 0.300 445 A C -0.891 176.740 177.584 0.077 0.000 1.040 445 A CA -0.573 51.511 52.037 0.079 0.000 0.697 445 A CB 1.244 20.407 19.000 0.272 0.000 1.265 445 A HN 0.442 nan 8.150 nan 0.000 0.407 446 D N 2.193 122.626 120.400 0.054 0.000 2.479 446 D HA 0.112 4.757 4.640 0.008 0.000 0.218 446 D C 0.886 177.305 176.300 0.198 0.000 1.131 446 D CA -0.463 53.599 54.000 0.104 0.000 0.916 446 D CB 0.187 40.986 40.800 -0.003 0.000 1.022 446 D HN 0.599 nan 8.370 nan 0.000 0.515 447 W N 4.133 125.473 121.300 0.066 0.000 2.290 447 W HA -0.367 4.298 4.660 0.009 0.000 0.323 447 W C 2.048 178.607 176.519 0.068 0.000 1.260 447 W CA 2.723 60.098 57.345 0.050 0.000 1.266 447 W CB -0.100 29.367 29.460 0.012 0.000 1.149 447 W HN 0.548 nan 8.180 nan 0.000 0.482 448 A N -1.430 121.675 122.820 0.475 0.000 1.978 448 A HA -0.221 4.104 4.320 0.008 0.000 0.220 448 A C 1.501 179.166 177.584 0.134 0.000 1.170 448 A CA 1.730 53.971 52.037 0.340 0.000 0.636 448 A CB -1.321 17.903 19.000 0.374 0.000 0.810 448 A HN 0.543 nan 8.150 nan 0.000 0.448 449 W N -1.026 120.248 121.300 -0.042 0.000 2.812 449 W HA 0.206 4.871 4.660 0.008 0.000 0.263 449 W C 1.823 178.231 176.519 -0.186 0.000 1.284 449 W CA -0.168 57.127 57.345 -0.084 0.000 1.430 449 W CB -0.022 29.414 29.460 -0.040 0.000 1.088 449 W HN 0.146 nan 8.180 nan 0.000 0.623 450 I N -0.290 120.238 120.570 -0.069 0.000 2.333 450 I HA -0.064 4.111 4.170 0.008 0.000 0.246 450 I C 0.705 176.615 176.117 -0.346 0.000 1.106 450 I CA 0.749 61.875 61.300 -0.290 0.000 1.411 450 I CB -1.391 36.368 38.000 -0.402 0.000 1.082 450 I HN -0.431 nan 8.210 nan 0.000 0.420 451 V N 3.841 123.468 119.914 -0.479 0.000 2.585 451 V HA 0.063 4.188 4.120 0.008 0.000 0.296 451 V C -1.910 174.015 176.094 -0.280 0.000 1.035 451 V CA -0.986 61.038 62.300 -0.459 0.000 1.084 451 V CB 0.049 31.408 31.823 -0.775 0.000 0.953 451 V HN 0.135 nan 8.190 nan 0.000 0.483 452 P HA 0.127 nan 4.420 nan 0.000 0.269 452 P C -1.782 175.388 177.300 -0.217 0.000 1.215 452 P CA -1.119 61.855 63.100 -0.210 0.000 0.780 452 P CB 0.033 31.606 31.700 -0.212 0.000 0.898 453 P HA -0.023 nan 4.420 nan 0.000 0.230 453 P C 0.197 177.377 177.300 -0.200 0.000 1.158 453 P CA 1.203 64.180 63.100 -0.205 0.000 0.769 453 P CB -0.004 31.569 31.700 -0.212 0.000 0.807 454 I N -7.029 113.381 120.570 -0.268 0.000 2.969 454 I HA 0.461 4.636 4.170 0.008 0.000 0.307 454 I C 0.046 176.024 176.117 -0.231 0.000 1.149 454 I CA -1.279 59.875 61.300 -0.243 0.000 1.008 454 I CB 1.889 39.719 38.000 -0.282 0.000 1.232 454 I HN -0.417 nan 8.210 nan 0.000 0.435 455 S N 1.839 117.464 115.700 -0.125 0.000 3.533 455 S HA -0.210 4.265 4.470 0.008 0.000 0.347 455 S C 1.398 175.962 174.600 -0.060 0.000 1.101 455 S CA 0.849 59.022 58.200 -0.045 0.000 1.009 455 S CB -1.818 61.431 63.200 0.083 0.000 0.916 455 S HN 1.307 nan 8.310 nan 0.000 0.496 456 G N 2.462 111.198 108.800 -0.106 0.000 2.719 456 G HA2 -0.379 3.586 3.960 0.008 0.000 0.219 456 G HA3 -0.379 3.586 3.960 0.008 0.000 0.219 456 G C 1.461 176.218 174.900 -0.239 0.000 1.234 456 G CA 1.798 46.841 45.100 -0.094 0.000 0.788 456 G HN 1.363 nan 8.290 nan 0.000 0.619 457 S N -0.089 115.184 115.700 -0.712 0.000 2.547 457 S HA 0.109 4.584 4.470 0.008 0.000 0.235 457 S C 1.993 176.525 174.600 -0.115 0.000 0.980 457 S CA 0.888 58.559 58.200 -0.882 0.000 0.941 457 S CB -0.030 62.521 63.200 -1.081 0.000 0.763 457 S HN 0.085 nan 8.310 nan 0.000 0.532 458 L N 2.312 123.521 121.223 -0.024 0.000 2.418 458 L HA 0.223 4.568 4.340 0.008 0.000 0.218 458 L C 1.434 178.435 176.870 0.219 0.000 1.125 458 L CA 0.810 55.726 54.840 0.126 0.000 0.835 458 L CB -1.008 41.147 42.059 0.159 0.000 0.953 458 L HN 0.594 nan 8.230 nan 0.000 0.454 459 T N -4.081 110.589 114.554 0.192 0.000 2.929 459 T HA 0.329 4.684 4.350 0.008 0.000 0.284 459 T C -1.613 173.247 174.700 0.267 0.000 1.014 459 T CA -1.881 60.352 62.100 0.222 0.000 1.051 459 T CB 1.725 70.678 68.868 0.141 0.000 1.028 459 T HN -0.126 nan 8.240 nan 0.000 0.485 460 P HA -0.106 nan 4.420 nan 0.000 0.218 460 P C 1.843 179.345 177.300 0.336 0.000 1.149 460 P CA 1.195 64.502 63.100 0.345 0.000 0.817 460 P CB -0.377 31.469 31.700 0.243 0.000 0.785 461 V N -3.547 116.505 119.914 0.229 0.000 2.594 461 V HA -0.216 3.909 4.120 0.008 0.000 0.253 461 V C 2.392 178.561 176.094 0.126 0.000 1.069 461 V CA 1.320 63.722 62.300 0.170 0.000 1.082 461 V CB -2.287 29.562 31.823 0.045 0.000 0.680 461 V HN -0.113 nan 8.190 nan 0.000 0.469 462 F N 1.996 121.892 119.950 -0.089 0.000 2.126 462 F HA -0.200 4.331 4.527 0.008 0.000 0.299 462 F C 2.543 178.452 175.800 0.182 0.000 1.096 462 F CA 2.384 60.354 58.000 -0.051 0.000 1.255 462 F CB -0.319 38.510 39.000 -0.285 0.000 0.997 462 F HN 0.283 nan 8.300 nan 0.000 0.479 463 H N -1.002 118.407 119.070 0.566 0.000 2.547 463 H HA 0.059 4.620 4.556 0.008 0.000 0.266 463 H C 0.391 175.973 175.328 0.424 0.000 0.988 463 H CA 0.402 56.736 56.048 0.475 0.000 1.147 463 H CB -0.340 29.675 29.762 0.423 0.000 1.365 463 H HN 0.268 nan 8.280 nan 0.000 0.589 464 Q N 2.125 122.201 119.800 0.461 0.000 2.368 464 Q HA 0.147 4.492 4.340 0.008 0.000 0.256 464 Q C -0.567 175.682 176.000 0.415 0.000 0.980 464 Q CA -0.394 55.637 55.803 0.381 0.000 0.887 464 Q CB 0.682 29.605 28.738 0.309 0.000 1.221 464 Q HN 0.255 nan 8.270 nan 0.000 0.458 465 E N 3.392 123.778 120.200 0.311 0.000 2.404 465 E HA 0.245 4.600 4.350 0.008 0.000 0.261 465 E C -0.441 176.306 176.600 0.245 0.000 1.074 465 E CA 0.279 56.813 56.400 0.224 0.000 0.917 465 E CB 0.820 30.620 29.700 0.167 0.000 0.965 465 E HN 0.594 nan 8.360 nan 0.000 0.433 466 M N 1.273 121.018 119.600 0.240 0.000 2.501 466 M HA 0.351 4.836 4.480 0.008 0.000 0.293 466 M C -1.229 175.180 176.300 0.181 0.000 1.192 466 M CA -0.983 54.462 55.300 0.241 0.000 0.886 466 M CB 2.450 35.254 32.600 0.340 0.000 1.710 466 M HN 0.164 nan 8.290 nan 0.000 0.457 467 V N 1.749 121.773 119.914 0.183 0.000 2.398 467 V HA 0.416 4.541 4.120 0.008 0.000 0.286 467 V C -0.566 175.623 176.094 0.159 0.000 1.026 467 V CA -0.692 61.740 62.300 0.221 0.000 0.868 467 V CB 1.533 33.552 31.823 0.326 0.000 0.982 467 V HN 0.875 nan 8.190 nan 0.000 0.443 468 N N 3.440 122.227 118.700 0.145 0.000 2.372 468 N HA 0.716 5.461 4.740 0.008 0.000 0.291 468 N C -1.653 173.917 175.510 0.100 0.000 1.024 468 N CA -0.435 52.605 53.050 -0.015 0.000 0.873 468 N CB 1.858 40.357 38.487 0.021 0.000 1.206 468 N HN 0.732 nan 8.380 nan 0.000 0.486 469 Y N 0.630 120.949 120.300 0.031 0.000 2.677 469 Y HA 0.488 5.043 4.550 0.008 0.000 0.334 469 Y C -1.413 174.491 175.900 0.006 0.000 1.196 469 Y CA -1.170 56.943 58.100 0.022 0.000 1.059 469 Y CB 0.674 39.152 38.460 0.030 0.000 1.315 469 Y HN 0.178 nan 8.280 nan 0.000 0.455 470 I N 3.345 124.021 120.570 0.177 0.000 2.331 470 I HA 0.455 4.630 4.170 0.008 0.000 0.292 470 I C -0.688 175.505 176.117 0.125 0.000 0.998 470 I CA -0.486 60.862 61.300 0.081 0.000 1.267 470 I CB 1.078 39.105 38.000 0.046 0.000 1.386 470 I HN 0.431 nan 8.210 nan 0.000 0.476 471 L N 4.903 126.167 121.223 0.069 0.000 2.341 471 L HA 0.585 4.929 4.340 0.008 0.000 0.267 471 L C -0.176 176.700 176.870 0.010 0.000 1.009 471 L CA -0.551 54.331 54.840 0.070 0.000 0.819 471 L CB 2.182 44.288 42.059 0.078 0.000 1.323 471 L HN 0.523 nan 8.230 nan 0.000 0.425 472 S N 1.298 117.012 115.700 0.024 0.000 2.536 472 S HA 0.652 5.127 4.470 0.008 0.000 0.298 472 S C -2.614 172.007 174.600 0.035 0.000 1.083 472 S CA -1.448 56.753 58.200 0.001 0.000 0.995 472 S CB 1.964 65.178 63.200 0.024 0.000 1.058 472 S HN 0.227 nan 8.310 nan 0.000 0.488 473 P HA 0.354 nan 4.420 nan 0.000 0.267 473 P C -1.320 175.862 177.300 -0.197 0.000 1.201 473 P CA 0.062 63.074 63.100 -0.146 0.000 0.775 473 P CB 0.452 32.016 31.700 -0.227 0.000 0.854 474 A N 1.499 124.164 122.820 -0.258 0.000 2.606 474 A HA 0.673 4.998 4.320 0.008 0.000 0.293 474 A C -1.629 175.750 177.584 -0.342 0.000 1.082 474 A CA -0.509 51.378 52.037 -0.250 0.000 0.685 474 A CB 0.825 19.752 19.000 -0.123 0.000 1.284 474 A HN 0.348 nan 8.150 nan 0.000 0.408 475 F N 1.230 121.093 119.950 -0.145 0.000 2.404 475 F HA 0.588 5.119 4.527 0.007 0.000 0.354 475 F C 0.945 176.636 175.800 -0.182 0.000 1.122 475 F CA 0.060 57.971 58.000 -0.148 0.000 1.080 475 F CB 1.604 40.469 39.000 -0.225 0.000 1.131 475 F HN 0.524 nan 8.300 nan 0.000 0.471 476 R N 2.144 122.667 120.500 0.039 0.000 2.854 476 R HA 0.465 4.810 4.340 0.008 0.000 0.271 476 R C -1.444 174.839 176.300 -0.028 0.000 0.996 476 R CA -1.205 54.856 56.100 -0.065 0.000 0.961 476 R CB 1.643 31.935 30.300 -0.013 0.000 1.182 476 R HN 0.396 nan 8.270 nan 0.000 0.479 477 Y N 1.429 121.752 120.300 0.038 0.000 2.326 477 Y HA 0.129 4.684 4.550 0.008 0.000 0.333 477 Y C 0.598 176.498 175.900 0.001 0.000 1.240 477 Y CA -0.083 58.029 58.100 0.022 0.000 1.365 477 Y CB 0.878 39.339 38.460 0.001 0.000 1.289 477 Y HN 0.449 nan 8.280 nan 0.000 0.548 478 Q N 1.782 121.679 119.800 0.161 0.000 2.416 478 Q HA 0.640 4.985 4.340 0.008 0.000 0.281 478 Q C -3.122 172.847 176.000 -0.052 0.000 1.067 478 Q CA -2.497 53.330 55.803 0.040 0.000 0.809 478 Q CB 2.141 30.895 28.738 0.026 0.000 1.418 478 Q HN 0.274 nan 8.270 nan 0.000 0.411 479 P HA 0.039 nan 4.420 nan 0.000 0.268 479 P C -0.915 176.164 177.300 -0.370 0.000 1.208 479 P CA 0.015 62.986 63.100 -0.215 0.000 0.777 479 P CB 0.401 31.989 31.700 -0.186 0.000 0.875 480 D N 3.044 123.084 120.400 -0.600 0.000 2.424 480 D HA 0.010 4.655 4.640 0.008 0.000 0.244 480 D C -1.043 174.618 176.300 -1.064 0.000 1.134 480 D CA -0.958 52.362 54.000 -1.133 0.000 0.881 480 D CB 0.387 40.011 40.800 -1.959 0.000 1.191 480 D HN 0.299 nan 8.370 nan 0.000 0.445 481 P HA -0.085 nan 4.420 nan 0.000 0.225 481 P C 0.299 177.238 177.300 -0.600 0.000 1.148 481 P CA 0.770 63.455 63.100 -0.692 0.000 0.779 481 P CB 0.119 31.431 31.700 -0.646 0.000 0.780 482 W N 0.000 120.880 121.300 -0.699 0.000 2.388 482 W HA 0.000 4.665 4.660 0.008 0.000 0.303 482 W CA 0.000 57.081 57.345 -0.440 0.000 1.226 482 W CB 0.000 29.177 29.460 -0.471 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535