NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7251 8.4249 118.2176 52.5746 39.1799 174.0860 3 Q 4.3517 7.6997 117.2106 55.7160 29.0397 175.7828 4 G 3.7881 8.8627 108.5863 47.1839 0.0000 174.9016 5 K 4.3155 7.7903 118.6426 56.4408 32.8413 178.2005 6 I 3.3584 7.6300 120.9666 63.6418 37.8150 176.9693 7 W 5.3650 7.8603 116.7985 56.6062 28.9358 176.8019 8 T 4.3395 8.0523 110.0491 62.6985 68.9355 175.9846 9 V 4.2218 7.7586 113.7032 61.3356 34.2860 175.7621 10 V 4.2338 8.0798 120.3432 60.9537 32.8575 174.1354 11 N 4.8936 8.7322 125.4945 52.8643 39.8043 174.0152 12 P 4.3034 0.0000 0.0000 65.2049 31.2075 178.2715 13 A 3.9750 8.2596 119.3639 54.6388 18.4149 178.7338 14 I 4.2985 7.5462 116.9706 63.0886 38.4377 178.3136 15 G 3.8830 8.5750 106.9785 47.9050 0.0000 175.9334 16 I 3.7741 7.8025 122.4307 63.7334 37.1625 176.7287 17 P 4.2310 0.0000 0.0000 65.5928 31.0545 178.5152 18 A 4.0719 8.1291 119.6518 54.8402 18.2140 179.4396 19 L 3.9353 8.0964 118.8945 58.5110 42.3791 179.3471 20 L 4.1335 8.3844 119.4350 57.6368 41.4766 179.7657 21 G 3.6414 8.6148 106.2524 47.7828 0.0000 176.0627 22 S 4.1200 8.4650 117.9556 61.3154 62.8282 176.7228 23 V 3.6058 7.9369 120.9932 66.5426 31.2422 178.1475 24 T 3.8818 7.7864 114.7705 66.6656 68.2062 176.7986 25 V 3.6319 8.0743 120.2691 65.8983 31.4418 178.1140 26 I 3.6693 8.3180 119.7158 64.3891 37.0300 177.8922 27 A 4.0777 8.2602 121.8440 55.5703 18.0539 179.7242 28 I 3.7159 7.9437 117.8518 64.5964 37.1771 178.5923 29 L 4.0019 8.1570 119.9059 57.8688 41.3889 179.8950 30 V 3.6163 8.2259 118.4079 66.2704 31.4206 177.6728 31 H 4.3040 8.3763 115.9807 59.1845 28.7101 177.8444 32 L 3.9635 8.4165 120.6854 57.4152 41.1634 179.4026 33 A 3.9970 8.2255 120.4640 55.3683 18.8404 179.3547 34 I 3.7420 8.1064 118.6280 64.5155 36.9627 178.4551 35 L 3.4408 7.9060 120.2126 57.9236 41.8238 178.7463 36 S 4.2927 7.6416 113.5593 59.9387 62.9183 174.6396 37 H 4.8279 7.5442 116.8454 55.1996 29.2311 173.3169 38 T 4.6349 7.2776 108.4203 59.9899 71.9075 173.7338 39 T 4.1691 8.2241 111.7347 63.1506 69.8530 176.9690 40 W 4.4255 7.6393 120.0368 58.9485 28.3331 178.2399 41 F 4.2029 6.9817 121.2980 60.7463 38.7904 175.1167 42 P 3.9346 0.0000 0.0000 65.7268 31.1081 178.4472 43 A 4.2542 8.0221 118.8809 55.0503 18.0014 178.9931 44 Y 4.4012 8.3111 117.8994 61.0333 38.9920 178.2498 45 W 4.3833 7.9028 118.5339 59.7068 29.2437 177.9738 46 Q 4.1596 8.7002 119.4294 59.1061 29.2056 177.8582 47 G 3.6853 9.5253 109.3767 47.1952 0.0000 175.0729 48 G 4.0600 8.9639 107.2914 46.0430 0.0000 174.8085 49 V 3.9548 7.2284 119.5205 60.9492 29.2283 175.9798 50 K 4.1824 7.5711 126.6658 56.6940 33.1275 176.9804 51 K 4.2675 7.3366 113.6063 56.2516 36.3410 174.4837 52 A 4.3161 8.1224 126.8023 52.9564 21.0031 175.6654 53 A 4.1138 8.4552 117.4842 53.5689 19.0748 176.5587 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 2 N 8.42 4.73 0.00 2.84 2.99 0.00 0.00 5.99 6.50 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 3 Q 7.70 4.35 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 4 G 8.86 3.79 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 5 K 7.79 4.32 0.00 1.84 1.81 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.48 7.81 6 I 7.63 3.36 1.60 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.19 -0.24 0.00 0.00 7 W 7.86 5.36 0.00 3.36 3.17 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 8 T 8.05 4.34 4.27 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 1.25 0.00 0.00 9 V 7.76 4.22 2.07 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 0.72 0.00 0.00 0.95 0.00 0.00 10 V 8.08 4.23 2.05 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 1.08 0.00 0.00 0.86 0.00 0.00 11 N 8.73 4.89 0.00 2.94 2.76 0.00 0.00 7.23 7.71 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 12 P 0.00 4.30 0.00 1.87 1.15 0.00 3.68 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 13 A 8.26 3.98 1.38 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 14 I 7.55 4.30 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.62 0.96 0.00 0.00 15 G 8.57 3.88 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 16 I 7.80 3.77 1.84 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.12 0.85 0.00 0.00 17 P 0.00 4.23 0.00 2.16 2.11 0.00 3.58 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.14 0.00 18 A 8.13 4.07 1.44 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 19 L 8.10 3.94 0.00 2.02 1.99 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.38 4.13 0.00 1.73 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.61 3.64 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 22 S 8.46 4.12 0.00 4.09 3.94 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 23 V 7.94 3.61 2.11 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 1.15 0.00 0.00 1.02 0.00 0.00 24 T 7.79 3.88 4.42 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 1.23 0.00 0.00 25 V 8.07 3.63 2.30 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 1.12 0.00 0.00 0.99 0.00 0.00 26 I 8.32 3.67 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.68 0.94 0.00 0.00 27 A 8.26 4.08 1.44 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 28 I 7.94 3.72 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.85 0.95 0.00 0.00 29 L 8.16 4.00 0.00 1.87 1.75 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.23 3.62 2.12 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 1.11 0.00 0.00 0.95 0.00 0.00 31 H 8.38 4.30 0.00 3.56 3.56 0.00 5.87 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 32 L 8.42 3.96 0.00 1.89 1.72 0.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.23 4.00 1.37 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 34 I 8.11 3.74 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.26 0.73 0.00 0.00 35 L 7.91 3.44 0.00 0.73 1.57 -0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.64 4.29 0.00 4.04 3.73 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 37 H 7.54 4.83 0.00 3.17 3.23 0.00 5.60 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.28 4.63 3.49 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 0.93 0.00 0.00 39 T 8.22 4.17 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 1.21 0.00 0.00 40 W 7.64 4.43 0.00 3.62 3.38 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 41 F 6.98 4.20 0.00 1.93 2.26 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 42 P 0.00 3.93 0.00 2.23 2.00 0.00 3.54 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 43 A 8.02 4.25 1.53 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 44 Y 8.31 4.40 0.00 3.07 3.42 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 45 W 7.90 4.38 0.00 3.56 3.00 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 46 Q 8.70 4.16 0.00 2.13 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.01 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 47 G 9.53 3.69 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 48 G 8.96 4.06 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 0.00 0.00 0.00 49 V 7.23 3.95 2.13 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 0.79 0.00 0.00 0.97 0.00 0.00 50 K 7.57 4.18 0.00 1.79 1.82 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 51 K 7.34 4.27 0.00 1.70 1.68 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 1.28 7.81 52 A 8.12 4.32 1.19 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 0.00 0.00 53 A 8.46 4.11 1.19 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 0.00 0.00