NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7881 8.3193 115.5520 58.3896 64.8066 172.3640 2 I 4.6790 8.3337 113.3105 56.9702 41.0751 173.6195 3 S 4.8348 8.9946 120.4077 58.2632 64.3916 176.3168 4 A 4.0470 8.8241 123.5794 55.0045 17.8898 180.3654 5 S 4.1831 7.9907 112.7185 61.2249 63.4531 176.1396 6 E 4.0797 8.3605 122.8358 59.0791 29.3845 178.6707 7 A 4.0536 8.1465 120.9160 54.9255 18.1459 179.9122 8 R 3.9487 7.7993 116.1202 59.6081 30.2567 178.7936 9 Q 4.2592 7.7041 116.5265 58.0850 28.9389 177.8289 10 R 4.7254 7.5993 117.7176 55.4126 31.1587 177.6725 11 L 3.8905 7.6509 120.8417 58.4324 42.1859 178.1645 12 F 4.2028 8.1450 117.0907 60.1553 38.9483 175.4771 13 P 4.3190 0.0000 0.0000 65.8795 31.1720 178.5723 14 L 3.9962 8.1587 117.6328 57.9907 41.4692 179.6297 15 I 3.8560 7.7513 119.4856 63.7184 37.0047 178.0902 16 E 4.0562 7.9802 120.1971 58.9860 29.5411 178.0461 17 Q 3.9464 8.3985 120.3111 59.3882 28.8683 179.0042 18 V 3.3752 7.6475 119.4841 64.8111 31.1693 177.9382 19 N 4.3436 7.6338 114.8468 55.6971 38.5327 177.1382 20 T 4.1102 7.4890 116.4091 66.1870 68.9776 176.4638 21 D 4.4843 9.0791 121.1923 54.6424 41.1168 176.3108 22 H 4.6907 7.9370 114.3237 55.8070 26.5714 174.3359 23 Q 4.6314 7.3052 115.5387 53.3643 31.8658 174.3324 24 P 4.7656 0.0000 0.0000 62.4509 32.8471 175.5819 25 V 4.4126 8.6802 121.0484 61.1290 34.5391 174.3077 26 R 4.7282 8.5724 128.0119 55.7765 31.8003 174.6353 27 I 5.0958 8.7544 127.2848 59.7781 40.0772 174.5716 28 T 5.6236 8.7595 117.7163 59.9871 71.2532 173.8751 29 S 4.6434 8.1563 116.3170 57.8979 66.3577 175.8289 30 R 3.8361 8.8373 118.1043 58.8818 29.7946 177.6842 31 A 4.3382 7.6338 118.6379 51.7373 19.2359 176.3742 32 G 3.8034 7.7730 103.9178 44.9602 0.0000 172.2325 33 D 5.4300 8.4370 116.6974 52.7563 43.5922 175.8174 34 A 5.1026 9.1343 122.5152 50.3931 23.5089 174.8934 35 V 4.7348 8.3255 117.9997 61.0358 34.4256 174.2780 36 L 4.8818 9.0460 130.3101 53.5637 44.0482 174.9375 37 M 5.1891 8.4351 122.0553 53.2316 35.1346 174.6118 38 S 4.1128 8.8089 113.5412 58.6213 63.3033 174.9368 39 A 4.0961 8.8293 129.2223 55.5464 18.2439 179.5670 40 D 4.4037 8.1548 116.9041 57.6571 41.0615 178.6540 41 D 4.4713 8.2669 119.3141 57.2390 40.7305 178.0051 42 Y 4.3591 8.3509 120.1285 61.0524 38.8017 177.7518 43 D 4.3520 8.5260 119.4835 57.6861 40.9242 179.0567 44 A 4.0448 8.2182 120.9145 54.6278 18.3126 179.6081 45 W 4.1774 8.1162 126.5888 60.8954 30.9305 178.2237 46 Q 3.4798 7.7496 118.2314 58.7829 28.0098 178.7061 47 E 3.9394 8.4501 120.5833 59.6304 29.7727 179.0038 48 T 3.9457 8.3512 116.4810 66.4772 68.2523 177.1057 49 V 3.6429 7.6781 120.3713 64.8212 31.6300 177.3179 50 Y 4.2235 7.8850 120.3241 60.6388 38.7572 178.2743 51 L 3.8069 8.1946 119.5995 57.7754 41.5490 179.1782 52 L 4.1983 7.5260 116.5852 55.8918 41.5381 178.5794 53 R 3.9327 7.2116 119.8537 58.4556 30.4800 176.4664 54 S 4.4945 7.0579 112.3563 56.7358 64.3754 173.4206 55 P 4.3392 0.0000 0.0000 65.3825 31.2483 178.7654 56 E 3.9220 8.0614 118.6389 59.6095 29.5287 178.6150 57 N 4.3152 8.1365 115.7099 56.1821 38.6351 177.0654 58 A 3.9606 7.7674 121.9502 55.2838 18.4396 179.4180 59 R 3.8444 8.0229 117.0888 59.9455 29.8308 178.7537 60 R 3.9448 7.6381 115.8507 58.4584 30.1615 178.6725 61 L 4.1331 7.6515 118.6943 57.8535 41.6987 178.8356 62 M 4.2524 7.9500 116.8224 57.5499 33.6034 176.8243 63 E 4.4489 8.3892 119.6852 54.7597 28.5117 175.4968 64 A 4.4335 7.8714 120.6254 51.8518 20.1992 177.9030 65 V 3.8487 7.5742 120.8441 62.9259 31.6258 175.5513 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 S 8.32 4.79 0.00 3.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.33 4.68 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 1.28 1.03 0.95 0.00 0.00 3 S 8.99 4.83 0.00 3.92 4.03 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 4 A 8.82 4.05 1.34 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 0.00 0.00 5 S 7.99 4.18 0.00 4.06 4.13 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 6 E 8.36 4.08 0.00 2.07 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 0.00 2.31 2.33 0.00 7 A 8.15 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.80 3.95 0.00 1.95 2.01 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 9 Q 7.70 4.26 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.39 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 10 R 7.60 4.73 0.00 1.97 1.89 0.00 3.15 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 11 L 7.65 3.89 0.00 1.69 1.46 0.82 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.15 4.20 0.00 3.18 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 13 P 0.00 4.32 0.00 2.19 2.15 0.00 3.79 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 14 L 8.16 4.00 0.00 2.02 1.70 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.75 3.86 1.96 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.24 0.89 0.00 0.00 16 E 7.98 4.06 0.00 2.08 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 0.00 2.38 2.38 0.00 17 Q 8.40 3.95 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 18 V 7.65 3.38 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 0.78 0.00 0.00 1.07 0.00 0.00 19 N 7.63 4.34 0.00 2.97 2.90 0.00 0.00 7.04 7.42 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 20 T 7.49 4.11 4.37 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 1.21 0.00 0.00 21 D 9.08 4.48 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.94 4.69 0.00 3.25 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.31 4.63 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 24 P 0.00 4.77 0.00 1.92 2.00 0.00 3.58 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 25 V 8.68 4.41 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 0.98 0.00 0.00 0.95 0.00 0.00 26 R 8.57 4.73 0.00 1.93 1.77 0.00 3.17 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 27 I 8.75 5.10 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.57 0.94 0.00 0.00 28 T 8.76 5.62 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 1.24 0.00 0.00 29 S 8.16 4.64 0.00 4.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.84 3.84 0.00 1.82 2.04 0.00 3.19 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 31 A 7.63 4.34 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 32 G 7.77 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.44 5.43 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.13 5.10 1.17 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 0.00 0.00 35 V 8.33 4.73 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 36 L 9.05 4.88 0.00 1.74 1.48 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 37 M 8.44 5.19 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.70 0.00 38 S 8.81 4.11 0.00 4.09 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.83 4.10 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.15 4.40 0.00 2.77 2.79 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 41 D 8.27 4.47 0.00 2.97 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 8.35 4.36 0.00 3.24 3.28 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 0.00 43 D 8.53 4.35 0.00 2.96 2.76 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 44 A 8.22 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.18 0.00 3.33 3.37 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 46 Q 7.75 3.48 0.00 1.73 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 1.16 1.77 0.00 47 E 8.45 3.94 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 48 T 8.35 3.95 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 49 V 7.68 3.64 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.94 0.00 0.00 50 Y 7.88 4.22 0.00 3.06 3.19 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 51 L 8.19 3.81 0.00 1.95 1.70 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.53 4.20 0.00 1.81 1.71 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.21 3.93 0.00 1.71 1.78 0.00 3.35 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 54 S 7.06 4.49 0.00 4.17 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 55 P 0.00 4.34 0.00 2.27 2.33 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 56 E 8.06 3.92 0.00 2.01 2.02 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 0.00 2.38 2.38 0.00 57 N 8.14 4.32 0.00 2.96 2.84 0.00 0.00 6.92 7.41 0.00 0.00 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 A 7.77 3.96 1.34 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 0.00 0.00 59 R 8.02 3.84 0.00 2.08 2.05 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 60 R 7.64 3.94 0.00 1.98 1.97 0.00 3.22 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 61 L 7.65 4.13 0.00 1.85 1.73 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 62 M 7.95 4.25 0.00 2.02 2.08 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 2.61 2.57 0.00 63 E 8.39 4.45 0.00 2.04 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 2.25 2.22 0.00 64 A 7.87 4.43 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.57 3.85 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 0.79 0.00 0.00 0.93 0.00 0.00