NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3455 8.1744 110.9434 61.2191 70.7058 173.5371 6 N 4.7837 7.8817 120.6615 53.0877 39.4110 173.3000 7 S 4.4415 8.1669 111.8854 57.5520 64.8630 173.2031 8 D 4.8191 8.5932 122.1829 54.8541 42.3465 174.5700 9 F 5.4352 8.0019 115.8689 55.3829 41.6615 173.8161 10 V 4.5783 8.8557 111.9642 59.4962 35.3816 174.9552 11 V 4.7929 8.6461 123.9515 61.2716 33.9396 174.3514 12 I 4.8600 9.0424 128.7003 59.4765 40.4395 174.1594 13 K 5.0092 9.0762 129.4915 54.3849 34.1029 175.2667 14 A 4.4312 8.7122 130.2882 52.1544 19.1996 177.4069 15 L 4.7872 9.1952 122.0335 54.4420 42.7492 175.6683 16 E 4.6371 7.6763 115.9598 55.1175 32.4140 174.1228 17 D 4.4803 8.3720 118.7418 55.2853 41.4782 177.0770 18 G 3.8817 8.7774 109.1797 45.6393 0.0000 173.8373 19 V 3.8806 7.4936 119.7576 63.0564 32.7746 174.4981 20 N 5.3830 9.0581 124.5501 51.4450 41.5323 173.7112 21 V 4.5247 8.6772 123.8277 61.3518 33.7870 174.0857 22 I 4.5993 8.7993 129.9277 59.3425 39.7184 175.0034 23 G 4.1280 8.8190 114.9165 44.9855 0.0000 172.4021 24 L 5.5014 8.7122 125.7354 52.9348 44.0878 176.2649 25 T 4.3819 8.9274 114.8625 61.8264 69.1702 174.2671 26 R 4.3830 7.8538 126.0739 57.0565 29.7105 174.8984 27 G 3.7683 8.8818 108.8503 44.1544 0.0000 173.9112 28 A 4.1386 8.7224 121.1388 54.3544 18.6369 177.6153 29 D 4.8867 7.2692 112.1421 53.0730 42.8271 176.2394 30 T 4.7072 8.2582 121.4688 61.4964 69.8646 172.7002 31 R 4.7388 9.0724 122.9703 53.9398 33.8422 174.1076 32 F 5.4771 8.6931 117.7362 57.3573 39.3600 175.8396 33 H 4.9834 8.9435 118.1323 56.2295 30.3549 173.8263 34 H 4.7665 7.5460 117.0308 55.1856 33.2664 172.0779 35 S 4.7979 8.1110 118.2436 56.3921 64.8131 172.4709 36 E 4.3807 9.1782 129.6191 55.0503 30.8856 174.8716 37 K 4.7823 8.6084 126.9220 55.5956 33.3552 176.0362 38 L 4.9501 8.9724 125.5021 53.0471 44.7652 176.2248 39 D 4.9710 9.4509 123.3327 52.7613 43.0343 175.9240 40 K 4.1044 8.8314 122.2530 58.2934 32.3247 176.8091 41 G 4.0542 9.0473 115.7580 45.1948 0.0000 173.5658 42 E 4.2456 8.1505 119.5609 56.2393 30.7647 176.0350 43 V 4.8619 8.3204 122.5184 60.9964 34.2287 174.2182 44 L 4.7211 9.0315 129.7514 53.2695 44.7001 174.8084 45 I 5.0413 8.4960 126.6370 59.6260 39.1370 174.7436 46 A 4.7025 8.9053 129.1349 50.0959 21.9242 175.2968 47 Q 4.8078 8.6303 120.9340 55.0452 30.3480 175.8412 48 F 4.6081 8.6155 120.5747 58.0056 39.9245 175.2441 49 T 4.6671 8.6965 110.9204 60.3215 71.8103 172.8812 50 E 4.0041 9.0076 121.1017 59.6681 29.7024 177.6298 51 H 4.5525 8.1369 113.6929 56.3883 29.8155 174.1645 52 T 5.0561 8.2924 116.5973 62.0116 71.1419 174.3701 53 S 4.9966 8.9682 120.7665 58.0947 64.7987 173.4967 54 A 5.2207 7.9491 121.5139 50.9410 22.8028 175.0083 55 I 4.9501 8.5259 119.8201 59.3677 40.7096 174.7871 56 K 4.6099 9.0096 128.2156 54.4651 34.9962 174.6822 57 V 4.8292 8.3755 126.1268 61.2055 33.7284 174.5004 58 R 4.5552 9.0336 127.3046 55.4968 32.7328 176.2016 59 G 4.1406 9.0106 109.0651 44.1422 0.0000 172.5272 60 K 4.6988 9.6609 120.7567 55.3796 33.1467 175.5615 61 A 5.0443 8.4957 126.3990 51.1183 23.3678 173.8634 62 Y 4.9400 9.1376 122.4316 56.2646 40.8842 174.5033 63 I 4.8815 8.2986 127.2574 59.5130 40.8540 174.2897 64 Q 5.0429 8.8284 126.0702 54.3698 31.7052 174.9254 65 T 4.8815 8.5942 112.5962 59.7980 72.5045 174.6654 66 R 3.7665 8.4754 120.5157 59.3280 30.0300 176.5568 67 H 4.6861 8.4274 112.8962 55.4307 29.4541 175.0141 68 G 3.7290 6.6503 106.9641 44.2178 0.0000 172.9801 69 V 4.8053 7.8580 113.0976 59.8917 34.9781 175.0634 70 I 4.5337 8.2086 121.5445 60.0449 41.9751 172.8935 71 E 5.2771 8.6024 126.0454 54.4538 31.8978 176.2458 72 S 4.5442 8.8139 119.3640 58.1830 64.9719 172.8808 73 E 4.8401 8.6257 119.6909 54.8171 32.7015 176.2185 74 G 4.0119 8.5261 112.6798 44.0180 0.0000 173.8188 75 K 4.1542 8.4053 117.6932 56.6336 32.2226 177.1424 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 5 T 8.17 4.35 4.25 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 1.22 0.00 0.00 6 N 7.88 4.78 0.00 2.80 2.85 0.00 0.00 7.09 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.17 4.44 0.00 4.11 3.93 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 8 D 8.59 4.82 0.00 2.82 2.71 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 0.00 0.00 0.00 0.00 9 F 8.00 5.44 0.00 2.96 2.91 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 10 V 8.86 4.58 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.83 0.00 0.00 11 V 8.65 4.79 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 1.13 0.00 0.00 1.16 0.00 0.00 12 I 9.04 4.86 1.86 0.00 0.00 0.81 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 0.62 0.90 0.00 0.00 13 K 9.08 5.01 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.41 7.81 14 A 8.71 4.43 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 9.20 4.79 0.00 1.63 1.70 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.68 4.64 0.00 2.02 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 2.19 2.33 0.00 17 D 8.37 4.48 0.00 2.69 2.63 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 18 G 8.78 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 19 V 7.49 3.88 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 0.90 0.00 0.00 0.98 0.00 0.00 20 N 9.06 5.38 0.00 2.61 2.59 0.00 0.00 6.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.68 4.52 2.03 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 0.82 0.00 0.00 0.89 0.00 0.00 22 I 8.80 4.60 1.48 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.43 -0.49 0.00 0.00 23 G 8.82 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 0.00 0.00 0.00 24 L 8.71 5.50 0.00 1.89 1.70 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.93 4.38 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 26 R 7.85 4.38 0.00 1.93 1.96 0.00 3.24 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.88 3.77 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 0.00 0.00 0.00 28 A 8.72 4.14 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 29 D 7.27 4.89 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 30 T 8.26 4.71 4.26 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 1.28 0.00 0.00 31 R 9.07 4.74 0.00 1.80 2.01 0.00 2.79 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 32 F 8.69 5.48 0.00 2.94 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 33 H 8.94 4.98 0.00 3.12 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.55 4.77 0.00 3.29 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.11 4.80 0.00 3.73 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.18 4.38 0.00 2.13 1.78 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 2.26 2.32 0.00 37 K 8.61 4.78 0.00 1.66 1.72 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.39 7.81 38 L 8.97 4.95 0.00 1.52 1.53 0.92 0.87 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 39 D 9.45 4.97 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.83 4.10 0.00 1.70 1.73 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 41 G 9.05 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 42 E 8.15 4.25 0.00 2.06 1.88 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 2.33 2.26 0.00 43 V 8.32 4.86 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.03 4.72 0.00 1.74 1.46 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 5.04 1.76 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 1.28 0.77 0.71 0.00 0.00 46 A 8.91 4.70 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.63 4.81 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 48 F 8.62 4.61 0.00 3.00 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 49 T 8.70 4.67 4.30 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 1.31 0.00 0.00 50 E 9.01 4.00 0.00 1.92 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 2.00 2.26 0.00 51 H 8.14 4.55 0.00 3.24 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.29 5.06 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 1.35 0.00 0.00 53 S 8.97 5.00 0.00 3.79 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.95 5.22 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 55 I 8.53 4.95 1.86 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.68 0.88 0.00 0.00 56 K 9.01 4.61 0.00 1.77 1.48 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.36 7.81 57 V 8.38 4.83 2.06 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 0.86 0.00 0.00 0.89 0.00 0.00 58 R 9.03 4.56 0.00 1.74 1.78 0.00 3.15 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 59 G 9.01 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.66 4.70 0.00 1.90 1.71 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.26 7.81 61 A 8.50 5.04 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 62 Y 9.14 4.94 0.00 3.04 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 63 I 8.30 4.88 1.86 0.00 0.00 0.82 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 0.71 0.86 0.00 0.00 64 Q 8.83 5.04 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 65 T 8.59 4.88 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 1.15 0.00 0.00 66 R 8.48 3.77 0.00 1.59 1.72 0.00 3.14 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 H 8.43 4.69 0.00 3.19 3.27 0.00 5.70 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 68 G 6.65 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 0.00 0.00 0.00 69 V 7.86 4.81 1.85 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 0.70 0.00 0.00 1.00 0.00 0.00 70 I 8.21 4.53 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.42 0.85 0.00 0.00 71 E 8.60 5.28 0.00 1.90 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 2.41 2.44 0.00 72 S 8.81 4.54 0.00 3.98 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 73 E 8.63 4.84 0.00 1.83 1.86 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 2.21 2.29 0.00 74 G 8.53 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.41 4.15 0.00 1.76 1.73 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.43 7.81