NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3224 8.2493 123.5794 51.8633 20.5714 177.0699 2 M 4.5166 7.7516 112.6665 53.9448 31.7316 175.2064 3 D 4.4037 8.5250 121.5011 57.2325 42.5646 177.6201 4 V 4.5003 7.4664 117.1885 60.8896 34.4450 174.0518 5 K 4.6496 8.1281 123.6056 55.3346 36.0195 176.8164 6 C 3.9787 8.3966 119.1142 58.3756 41.0788 172.6301 7 D 4.3627 7.1723 115.6998 54.1458 43.4344 173.6756 8 M 4.5205 8.2537 116.7883 54.8337 31.8758 176.7409 9 E 4.7114 7.6394 113.9152 56.9943 34.8527 175.7958 10 V 4.5753 7.5947 111.7253 59.6989 35.1256 176.2375 11 S 4.3669 8.0871 115.4305 57.4701 62.9919 173.1849 12 C 4.3230 8.0412 124.5199 54.5446 42.4996 173.4979 13 P 4.5628 0.0000 0.0000 61.6818 32.6029 175.5756 14 D 4.5950 8.6936 117.3477 55.7899 39.6022 177.0440 15 G 3.8715 9.0797 109.7955 45.3359 0.0000 172.2543 16 Y 5.6810 7.6811 116.2033 56.1289 40.3500 175.3161 17 T 4.7797 8.5993 116.9699 62.1130 72.8291 173.8836 18 C 5.3021 8.8753 121.9707 55.8412 42.3727 173.6128 19 C 5.4196 9.3484 124.7407 54.6269 46.2361 173.5274 20 R 3.8585 8.6480 124.8942 56.0993 30.5858 175.3957 21 L 4.8835 7.7101 121.3757 53.0696 46.0821 176.4019 22 Q 4.1383 8.5263 115.4853 57.5174 28.9267 177.5162 23 S 4.5160 7.9740 114.6671 58.7310 62.3171 174.2652 24 G 4.3411 8.0412 106.9657 45.8396 0.0000 173.3695 25 A 4.4792 7.1026 119.8609 51.1701 23.1188 176.2126 26 W 4.8392 8.9199 117.2638 55.5165 31.8319 176.2084 27 G 4.3405 9.3945 107.3569 44.8793 0.0000 171.1853 28 C 5.5405 9.0308 120.9248 55.5589 42.9022 174.0934 29 C 4.8933 9.2995 123.5320 54.1438 41.2269 172.7797 30 P 4.9068 0.0000 0.0000 60.1445 28.4792 174.2848 31 F 4.7763 7.6606 116.0323 57.1228 41.0290 175.1891 32 T 3.9680 7.5847 116.6081 61.4653 69.6169 173.6687 33 Q 4.1984 6.5597 126.3121 55.9613 33.2780 173.2577 34 A 4.1549 8.8894 119.9031 52.6737 17.2371 177.3647 35 V 4.2651 8.2293 114.5931 63.7949 32.4249 177.5432 36 C 4.4411 9.0413 121.4378 57.3453 37.8394 172.8933 37 C 4.7757 8.2972 114.8434 56.3627 46.3261 173.9260 38 E 3.7216 8.5083 122.3082 56.3872 28.9072 174.5650 39 D 4.7827 8.3260 123.1640 53.9367 41.2868 176.7350 40 H 3.9489 9.4543 116.2276 55.9676 26.9946 175.8002 41 I 4.1664 8.4587 131.5328 60.2405 39.7008 174.0673 42 H 4.8018 7.9417 121.2546 53.6063 30.2029 176.2252 43 C 4.5262 8.8196 121.6449 57.7124 39.3852 171.8309 44 C 5.1006 7.6973 113.4423 54.1511 42.9599 173.5011 45 P 4.3896 0.0000 0.0000 62.3955 30.0902 176.0131 46 A 3.3175 8.8839 123.6739 52.4147 18.7344 179.8038 47 G 3.6197 8.2836 105.8684 45.3062 0.0000 173.0460 48 F 5.4496 7.0086 117.1916 55.9383 42.0709 174.7978 49 T 4.8560 8.5463 118.7748 61.6840 72.1440 170.9111 50 C 4.8865 8.6237 118.1183 55.4263 37.8861 172.4094 51 D 5.2642 8.8019 122.5210 52.9066 44.7615 176.5250 52 T 3.2319 8.9711 112.1449 63.9021 65.9998 172.7443 53 Q 3.5106 8.1230 119.0954 56.6294 27.7752 173.3920 54 K 4.3337 8.2897 117.5836 58.0330 33.7271 175.4872 55 G 3.5249 7.8428 106.8234 45.6311 0.0000 173.7915 56 T 4.3655 8.0626 112.0404 60.2845 70.4206 173.5794 57 C 5.4822 9.0311 125.2678 55.8350 40.9282 174.4365 58 E 4.2419 8.8281 121.8592 56.1662 30.0299 174.4012 59 Q 4.6820 9.2879 130.5479 54.4837 28.7490 173.2089 60 K 4.7919 8.4278 117.5926 56.8269 32.5334 175.0523 61 L 4.5523 7.6624 122.0871 54.6535 45.2042 175.2563 62 A 4.1855 8.3522 123.9249 51.2263 24.2768 172.9717 63 A 3.6104 8.6762 125.3645 52.0718 17.2683 176.8110 64 A 3.6640 8.5437 126.1904 53.4330 15.8893 175.4800 65 L 4.0689 7.7145 119.3282 54.6760 41.4882 177.5384 66 E 4.5112 8.3719 122.9924 55.5933 31.4723 174.6478 67 H 4.8492 7.3735 113.0972 54.8198 30.9237 172.4582 68 H 4.7449 8.5942 114.8399 57.9601 31.6060 173.2522 69 H 4.7037 7.8293 115.5989 55.3124 29.7527 174.2772 70 H 4.4647 8.0014 120.2944 55.5402 32.3632 172.7627 71 H 4.8571 8.3692 121.4371 54.5406 31.0562 173.3868 72 H 4.5213 8.7957 120.7710 55.9061 29.3403 173.7582 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 A 8.25 4.32 1.27 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 0.00 0.00 0.00 2 M 7.75 4.52 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 3 D 8.53 4.40 0.00 2.64 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 4 V 7.47 4.50 2.38 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 1.02 0.00 0.00 0.93 0.00 0.00 5 K 8.13 4.65 0.00 1.64 1.53 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.38 7.81 6 C 8.40 3.98 0.00 1.84 1.69 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 7 D 7.17 4.36 0.00 2.59 2.62 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 0.00 0.00 0.00 0.00 8 M 8.25 4.52 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 9 E 7.64 4.71 0.00 1.93 1.96 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 2.21 2.36 0.00 10 V 7.59 4.58 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 0.89 0.00 0.00 0.98 0.00 0.00 11 S 8.09 4.37 0.00 3.81 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 12 C 8.04 4.32 0.00 3.03 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 4.56 0.00 2.27 2.04 0.00 2.54 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 2.09 1.82 0.00 14 D 8.69 4.59 0.00 2.82 2.77 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 15 G 9.08 3.87 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 0.00 0.00 0.00 16 Y 7.68 5.68 0.00 3.11 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 17 T 8.60 4.78 4.50 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 0.00 0.00 0.00 1.36 0.00 0.00 18 C 8.88 5.30 0.00 2.73 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 19 C 9.35 5.42 0.00 3.14 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 20 R 8.65 3.86 0.00 1.24 1.37 0.00 2.63 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.59 0.00 21 L 7.71 4.88 0.00 1.36 1.50 1.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.53 4.14 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.26 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 23 S 7.97 4.52 0.00 3.90 3.90 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 0.00 0.00 0.00 24 G 8.04 4.34 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 0.00 25 A 7.10 4.48 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.92 4.84 0.00 3.18 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 27 G 9.39 4.34 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 0.00 28 C 9.03 5.54 0.00 3.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.30 4.89 0.00 3.34 3.10 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 0.00 0.00 0.00 30 P 0.00 4.91 0.00 1.80 1.54 0.00 3.43 0.00 0.00 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.83 0.00 31 F 7.66 4.78 0.00 3.14 2.89 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 0.00 0.00 0.00 32 T 7.58 3.97 4.11 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 1.07 0.00 0.00 33 Q 6.56 4.20 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.30 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 34 A 8.89 4.15 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 35 V 8.23 4.27 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 0.81 0.00 0.00 1.01 0.00 0.00 36 C 9.04 4.44 0.00 3.36 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.30 4.78 0.00 3.04 2.98 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 38 E 8.51 3.72 0.00 2.20 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 0.00 2.24 2.30 0.00 39 D 8.33 4.78 0.00 2.64 2.41 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 0.00 0.00 0.00 0.00 40 H 9.45 3.95 0.00 3.29 3.16 0.00 5.89 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 41 I 8.46 4.17 1.18 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.32 0.66 0.00 0.00 42 H 7.94 4.80 0.00 3.32 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.82 4.53 0.00 3.06 3.24 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 44 C 7.70 5.10 0.00 3.37 3.44 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 45 P 0.00 4.39 0.00 2.14 2.16 0.00 4.39 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 46 A 8.88 3.32 1.12 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 0.00 0.00 47 G 8.28 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.01 5.45 0.00 2.85 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.55 4.86 4.29 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 1.26 0.00 0.00 50 C 8.62 4.89 0.00 2.96 3.53 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 51 D 8.80 5.26 0.00 2.76 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 52 T 8.97 3.23 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 1.21 0.00 0.00 53 Q 8.12 3.51 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 54 K 8.29 4.33 0.00 1.85 1.80 0.00 1.89 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.37 7.81 55 G 7.84 3.52 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 0.00 0.00 0.00 56 T 8.06 4.37 4.22 0.00 0.00 0.00 0.00 0.00 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 57 C 9.03 5.48 0.00 2.95 3.25 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 58 E 8.83 4.24 0.00 1.82 1.74 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 2.30 2.31 0.00 59 Q 9.29 4.68 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.02 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 60 K 8.43 4.79 0.00 1.89 1.85 0.00 1.15 0.00 0.00 2.31 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.42 7.81 61 L 7.66 4.55 0.00 1.58 1.51 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.35 4.19 1.24 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 0.00 0.00 63 A 8.68 3.61 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 64 A 8.54 3.66 1.32 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 0.00 0.00 0.00 65 L 7.71 4.07 0.00 1.72 1.67 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.37 4.51 0.00 1.83 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 0.00 2.13 2.16 0.00 67 H 7.37 4.85 0.00 3.23 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.59 4.74 0.00 3.00 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 7.83 4.70 0.00 3.19 3.14 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.00 4.46 0.00 2.89 3.03 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.37 4.86 0.00 3.09 3.17 0.00 5.89 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.80 4.52 0.00 3.05 3.17 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00