NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1491 8.2549 117.2614 54.8466 31.1147 175.1789 2 P 4.0773 0.0000 0.0000 62.1298 32.0202 176.2130 3 D 4.3964 8.4052 121.2061 57.2018 41.7766 178.5991 4 F 4.4813 7.9290 114.3883 59.4261 37.7618 177.6288 5 C 4.6774 7.4177 115.9019 58.8817 40.0492 174.5981 6 L 4.2982 7.7113 119.1482 54.2495 42.0512 176.6737 7 E 4.2991 7.4025 118.9165 55.1962 30.2327 175.0709 8 P 4.4348 0.0000 0.0000 61.1974 32.2022 174.7799 9 P 3.5819 0.0000 0.0000 62.6683 31.4222 175.2772 10 Y 4.6114 7.7049 121.3588 56.0486 40.4994 175.3478 11 T 4.2079 8.2851 125.2345 65.2753 68.8572 176.1378 12 G 3.7631 6.8408 104.5655 44.0872 0.0000 171.3228 13 P 4.3242 0.0000 0.0000 64.5159 31.4404 177.6740 14 C 4.4833 7.7300 116.9000 56.7769 40.7863 173.9565 15 K 4.1027 8.2618 119.3511 56.6513 32.4914 177.2063 16 A 4.1280 7.8710 122.0656 51.8309 19.6873 177.0672 17 R 4.6698 8.2335 117.9380 54.1288 29.9790 174.2010 18 I 4.4316 8.1943 122.2041 59.3244 40.0706 175.0957 19 I 4.3248 8.1678 127.3863 61.0448 38.0485 175.3008 20 R 4.5296 8.2627 124.4038 54.6041 35.0380 173.4264 21 Y 5.7259 9.1706 117.5737 56.5284 41.3277 175.2784 22 F 5.7833 9.3793 116.5985 55.4758 42.1176 172.7610 23 Y 4.4407 9.7470 122.7470 57.0044 39.6632 174.7109 24 N 4.5643 8.1681 126.1640 51.5774 38.3874 174.7948 25 A 3.7791 8.5818 131.8169 55.7018 18.8603 179.6601 26 K 4.0636 8.0692 115.6569 57.8021 31.8366 180.5164 27 A 4.0168 7.7743 120.7569 52.8037 18.5401 178.2927 28 G 3.8563 8.8173 103.5873 45.5867 0.0000 172.7356 29 L 4.6047 6.7701 118.3113 54.5316 44.0488 174.5749 30 C 4.9407 8.5744 116.7518 56.5062 41.9466 173.2156 31 Q 4.8591 8.4130 120.9636 54.2112 33.0844 174.4948 32 T 5.0819 8.5398 110.5766 61.5310 70.7049 173.7201 33 F 4.9937 8.6526 116.2742 56.1188 41.8856 172.9155 34 V 4.3997 8.4720 120.1207 61.9661 32.4521 174.2048 35 Y 4.8204 8.8268 130.2849 56.2246 40.1710 176.6033 36 G 3.8288 8.3503 113.8860 46.6130 0.0000 174.9726 37 G 3.8447 6.2999 106.3498 45.3801 0.0000 172.1412 38 C 4.8474 7.1261 112.1658 54.6520 44.7063 173.1391 39 R 3.7473 8.7266 116.0973 57.2317 27.1984 176.9187 40 A 4.3820 8.1275 118.4869 52.3270 19.3191 177.9534 41 K 4.4066 8.2272 120.1152 54.6701 34.0337 177.4140 42 R 3.4892 8.1215 118.5649 58.9828 30.3599 177.7290 43 N 4.8578 7.8028 117.9115 51.4922 37.4490 174.0663 44 N 5.1676 6.9245 116.5794 52.5537 41.8060 173.1255 45 F 4.9628 9.5572 125.1555 55.4952 42.1310 176.5638 46 K 4.0934 9.0125 125.8582 58.2046 32.8067 177.2918 47 S 4.8259 8.0468 112.5900 56.0529 65.3844 174.4760 48 A 3.3948 7.9628 130.2255 54.5892 18.0901 179.3614 49 E 3.7213 7.6852 118.2962 59.6844 29.7427 178.8471 50 D 4.3138 7.9524 118.3474 57.2860 40.8223 179.2048 51 C 2.5238 7.5081 118.4888 59.3615 40.4494 175.5863 52 M 3.8695 7.6651 120.2740 58.3138 31.3003 178.8256 53 R 3.8188 7.4842 117.6434 59.6078 30.3376 178.4657 54 T 3.9932 7.6499 114.4661 66.4136 68.6429 175.4583 55 C 4.3283 7.7586 115.8763 57.1280 41.2464 174.1720 56 G 3.6024 7.8973 114.1872 45.5516 0.0000 173.2550 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 1 R 8.25 4.15 0.00 1.64 1.79 0.00 2.95 0.00 0.00 3.04 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 2 P 0.00 4.08 0.00 1.03 1.65 0.00 3.26 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.02 0.00 3 D 8.41 4.40 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 7.93 4.48 0.00 3.24 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.42 4.68 0.00 2.96 3.12 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 0.00 0.00 0.00 0.00 6 L 7.71 4.30 0.00 1.76 1.76 0.94 1.04 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 7 E 7.40 4.30 0.00 2.18 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 8 P 0.00 4.43 0.00 1.97 1.90 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 9 P 0.00 3.58 0.00 0.78 0.49 0.00 3.26 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 0.00 10 Y 7.70 4.61 0.00 2.76 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.29 4.21 4.12 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 0.00 0.00 0.00 1.19 0.00 0.00 12 G 6.84 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.32 0.00 2.17 2.19 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.73 4.48 0.00 2.78 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.26 4.10 0.00 1.68 1.79 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.33 7.81 16 A 7.87 4.13 1.15 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 0.00 0.00 17 R 8.23 4.67 0.00 1.60 1.81 0.00 3.35 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 18 I 8.19 4.43 1.88 0.00 0.00 0.83 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 0.91 0.92 0.00 0.00 19 I 8.17 4.32 1.74 0.00 0.00 0.80 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 0.39 0.57 0.00 0.00 20 R 8.26 4.53 0.00 0.67 1.56 0.00 3.28 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 21 Y 9.17 5.73 0.00 3.10 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.38 5.78 0.00 3.18 3.13 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 0.00 0.00 0.00 0.00 23 Y 9.75 4.44 0.00 2.98 3.07 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 0.00 0.00 0.00 0.00 24 N 8.17 4.56 0.00 2.37 2.49 0.00 0.00 6.65 8.00 0.00 0.00 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 A 8.58 3.78 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 26 K 8.07 4.06 0.00 1.79 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 27 A 7.77 4.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.82 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.77 4.60 0.00 1.67 1.71 0.81 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.57 4.94 0.00 2.83 3.08 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 0.00 0.00 0.00 0.00 31 Q 8.41 4.86 0.00 1.43 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 32 T 8.54 5.08 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 33 F 8.65 4.99 0.00 3.04 3.26 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 34 V 8.47 4.40 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.92 0.00 0.00 35 Y 8.83 4.82 0.00 2.56 2.72 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 36 G 8.35 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.30 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 38 C 7.13 4.85 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.73 3.75 0.00 2.16 2.18 0.00 3.26 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 40 A 8.13 4.38 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.23 4.41 0.00 1.74 1.67 0.00 1.60 0.00 0.00 1.43 0.00 0.00 2.69 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.09 1.12 7.81 42 R 8.12 3.49 0.00 1.25 0.66 0.00 2.21 0.00 0.00 2.70 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.30 0.00 43 N 7.80 4.86 0.00 3.18 2.89 0.00 0.00 6.68 7.79 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 44 N 6.92 5.17 0.00 2.66 2.55 0.00 0.00 7.09 7.02 0.00 0.00 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 F 9.56 4.96 0.00 3.35 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.01 4.09 0.00 1.78 1.94 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.50 7.81 47 S 8.05 4.83 0.00 3.95 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 3.39 0.49 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 0.00 0.00 0.00 49 E 7.69 3.72 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 50 D 7.95 4.31 0.00 3.00 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 51 C 7.51 2.52 0.00 2.67 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 7.67 3.87 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.47 0.00 53 R 7.48 3.82 0.00 1.75 1.86 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 54 T 7.65 3.99 4.15 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 1.52 0.00 0.00 55 C 7.76 4.33 0.00 2.47 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.90 3.60 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 0.00 0.00 0.00