NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 G 3.8413 8.3129 107.9279 46.2914 0.0000 172.9491 *21 T 4.7905 8.0323 110.2288 57.9875 72.0043 168.2276 22 F 4.5991 9.7646 125.5992 57.5530 41.8006 173.9269 23 N 3.8239 8.3793 123.0741 55.0686 38.2058 174.2876 *25 H 4.5549 7.7666 116.2923 55.9660 30.6570 171.0361 26 Y 4.9420 8.5103 128.1491 56.6278 39.8329 174.9132 27 F 4.7912 7.7730 120.4614 57.1758 39.3153 175.2525 *49 T 4.2654 8.2377 115.9245 60.9954 70.2363 174.6899 *50 K 4.5638 9.3469 123.9456 53.3775 34.1367 173.5627 51 G 3.1975 8.7013 110.1799 45.4921 0.0000 172.7623 *53 P 4.2600 0.0000 0.0000 61.9211 33.1963 178.5597 54 L 4.0379 7.9753 118.8040 54.2329 42.5474 174.2210 55 P 4.7386 0.0000 0.0000 62.3648 31.6436 175.1776 56 F 4.9043 7.0278 112.0241 55.7388 40.6769 173.6396 57 G 3.6300 8.4176 113.0686 45.5539 0.0000 175.5642 *58 W 4.2272 8.2390 126.7128 59.9935 28.2120 175.6332 59 H 4.5246 8.1676 117.2344 60.1108 28.2810 177.8033 *60 I 3.9629 7.5453 124.2283 65.3572 35.3697 182.7861 61 L 4.6731 8.1581 123.8198 59.2042 41.0937 182.3167 *62 C 4.2014 7.5713 116.7747 62.4561 40.3650 179.0793 63 P 4.5719 0.0000 0.0000 61.5111 32.9173 176.1995 *93 W 4.6999 8.5078 114.8772 57.4826 29.5530 175.9715 *96 S 4.4544 8.3292 117.6468 58.8764 64.2421 174.9271 *97 M 4.9979 7.8256 120.4941 54.1468 32.0738 173.0988 98 H 4.5963 8.7313 121.0028 55.6790 30.4182 175.9133 *99 F 5.1456 8.6787 124.4915 56.0986 40.6820 176.5304 *100 E 4.0834 8.7324 121.2151 60.6712 29.5060 180.1282 101 D 4.2571 8.2233 117.8534 55.6218 40.4432 179.1924 *103 G 2.7850 7.8134 107.3564 45.0295 0.0000 171.6508 104 L 5.0503 8.2768 127.7410 53.3417 45.6059 174.9079 105 C 5.5482 8.5085 122.7072 58.9789 32.4877 172.6108 *106 C 5.0714 9.2575 125.0925 54.2879 42.5734 171.7755 *107 I 3.9784 8.6160 120.7329 59.4802 36.8671 173.7574 *108 T 3.7815 8.5711 116.2039 61.8424 67.9751 173.8201 *124 F 4.8303 8.3563 127.4451 56.6648 40.3607 171.1055 125 T 4.8094 9.3535 121.1660 60.6906 71.2976 173.4641 126 G 4.6296 8.9761 114.1772 44.3490 0.0000 171.7290 127 L 5.1747 8.7749 128.3033 54.3637 44.6914 176.5792 128 N 4.2761 8.4328 113.4879 53.3051 34.9435 174.9819 129 F 4.3864 8.2456 118.1346 56.0585 39.9150 174.7453 130 P 4.5374 0.0000 0.0000 61.9315 32.1643 175.6957 131 P 4.2599 0.0000 0.0000 66.6401 31.3389 178.4001 *132 N 4.5335 8.1446 112.0887 53.3831 37.7147 176.9320 133 G 4.0481 7.5873 106.4499 45.1843 0.0000 173.3369 134 P 4.2978 0.0000 0.0000 65.8011 31.8238 179.0567 135 V 3.5633 8.2969 121.2760 66.2472 31.6197 178.9245 *136 V 3.7382 8.0909 114.9189 63.2752 31.5902 178.5642 137 Q 4.2680 7.8765 117.4833 56.3556 29.1143 176.1540 *138 K 4.1165 8.4909 125.1776 55.6165 31.6533 182.0477 *139 K 4.2015 7.5123 124.0919 54.1024 30.9724 180.4358 *160 D 4.3100 7.7949 120.9993 53.7675 41.5474 175.9687 *161 I 3.6933 7.6689 122.5228 58.1162 37.2654 168.0779 162 H 5.2888 8.5238 127.4422 54.5240 29.8250 175.1792 *163 H 5.0514 8.5928 120.9170 52.9001 32.3175 170.5162 164 A 4.2159 8.5133 120.4332 52.1345 18.7561 177.3369 *174 A 4.1105 8.5631 125.8102 53.6613 20.0775 175.6580 *175 C 5.1032 8.5072 118.2550 57.6564 33.3867 169.3497 176 D 4.9098 9.2767 120.1300 54.1633 43.6878 175.2772 *177 I 4.3944 9.0558 128.7032 59.5154 37.7351 173.2012 *178 K 4.1004 8.4027 123.3450 55.1713 32.2916 176.7580 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 20 G 8.31 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *21 T 8.03 4.79 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 22 F 9.76 4.60 0.00 2.58 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.38 3.82 0.00 2.67 2.81 0.00 0.00 6.94 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 H 7.77 4.55 0.00 3.40 3.68 0.00 5.85 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.51 4.94 0.00 2.92 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 7.77 4.79 0.00 3.06 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *49 T 8.24 4.27 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *50 K 9.35 4.56 0.00 1.67 1.70 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 0.99 7.81 51 G 8.70 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *53 P 0.00 4.26 0.00 1.84 1.86 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.12 0.00 54 L 7.98 4.04 0.00 1.07 0.81 0.07 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.74 0.00 2.23 2.13 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 56 F 7.03 4.90 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.42 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *58 W 8.24 4.23 0.00 2.52 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.17 4.52 0.00 3.08 3.42 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *60 I 7.55 3.96 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 0.91 0.00 0.00 61 L 8.16 4.67 0.00 1.74 1.61 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 *62 C 7.57 4.20 0.00 2.75 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.57 0.00 2.11 2.05 0.00 3.54 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 *93 W 8.51 4.70 0.00 3.60 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *96 S 8.33 4.45 0.00 3.62 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *97 M 7.83 5.00 0.00 1.66 1.92 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 98 H 8.73 4.60 0.00 3.09 3.24 0.00 5.74 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *99 F 8.68 5.15 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *100 E 8.73 4.08 0.00 1.79 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.14 0.00 101 D 8.22 4.26 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *103 G 7.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.28 5.05 0.00 1.71 1.43 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.51 5.55 0.00 3.22 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *106 C 9.26 5.07 0.00 2.49 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *107 I 8.62 3.98 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.91 0.00 0.00 *108 T 8.57 3.78 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *124 F 8.36 4.83 0.00 1.99 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 T 9.35 4.81 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 126 G 8.98 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.77 5.17 0.00 1.71 1.72 0.88 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.43 4.28 0.00 2.82 2.88 0.00 0.00 6.61 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.25 4.39 0.00 2.69 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.54 0.00 2.26 2.19 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 131 P 0.00 4.26 0.00 2.10 2.19 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 *132 N 8.14 4.53 0.00 2.74 2.72 0.00 0.00 6.62 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 7.59 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.30 0.00 2.28 2.36 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 135 V 8.30 3.56 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.20 0.00 0.00 *136 V 8.09 3.74 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.93 0.00 0.00 137 Q 7.88 4.27 0.00 2.52 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 5.71 0.00 0.00 0.00 0.00 0.00 2.32 2.16 0.00 *138 K 8.49 4.12 0.00 1.92 1.81 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.26 1.24 7.81 *139 K 7.51 4.20 0.00 1.77 1.68 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.35 1.00 7.81 *160 D 7.79 4.31 0.00 2.72 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *161 I 7.67 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.34 0.91 0.00 0.00 162 H 8.52 5.29 0.00 3.03 3.26 0.00 5.61 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *163 H 8.59 5.05 0.00 2.50 2.88 0.00 7.20 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 A 8.51 4.22 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *174 A 8.56 4.11 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *175 C 8.51 5.10 0.00 2.52 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 9.28 4.91 0.00 2.71 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *177 I 9.06 4.39 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.87 0.91 0.00 0.00 *178 K 8.40 4.10 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.