NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.1783 8.3349 116.7970 63.0896 64.4175 175.5524 3 R 3.3364 6.8671 120.3132 57.3332 27.1486 171.6850 4 V 4.5705 7.2827 110.3863 59.2850 35.9428 175.6174 5 C 3.7959 8.4530 125.6266 61.0772 31.6107 174.6059 6 Q 4.1315 8.2793 123.2545 56.5087 28.4415 174.2793 7 V 4.0432 7.5923 114.6136 62.7945 32.2191 176.3485 8 T 4.5036 7.3985 106.7781 60.0188 70.0581 173.5122 9 G 3.7955 8.0933 109.3001 46.7621 0.0000 174.7186 10 K 4.1654 7.9562 120.3981 55.3465 31.3661 177.2352 11 R 4.6511 8.1018 123.3561 53.7026 31.9646 174.3258 12 P 5.2761 0.0000 0.0000 62.3073 31.8575 176.4115 13 V 4.3151 8.4731 117.8819 60.3215 33.8901 175.2573 14 T 4.6397 8.3434 117.5578 61.9707 69.1547 174.0380 15 G 4.4258 8.0115 110.1666 46.2188 0.0000 171.3647 16 N 5.6133 8.8250 116.1510 51.4637 41.1415 175.1308 17 N 4.2697 9.4979 120.3740 54.0089 39.1768 175.6491 18 R 4.3721 8.1011 116.5146 55.9570 28.0010 174.2432 19 S 4.3135 7.4300 113.6822 57.9540 64.3061 173.2953 20 H 3.8349 8.6022 119.8875 57.2017 29.7221 174.9140 21 A 3.6901 8.5244 121.4512 51.8032 15.9612 177.4135 22 L 3.6877 7.4335 113.7017 56.0828 40.0343 174.5604 23 N 4.6104 7.8072 115.7228 53.2678 39.7069 174.2241 24 A 4.7723 8.5255 125.3474 51.1960 20.5361 176.8993 25 T 4.4310 8.3233 118.8337 61.6161 72.0441 173.5666 26 K 4.4807 8.7228 126.1695 56.9693 32.6016 177.1053 27 R 4.3466 8.2537 122.1671 55.0968 35.1415 175.1746 28 R 4.8742 7.8664 115.1568 55.9101 31.3700 173.7344 29 F 4.7452 9.5594 121.6963 55.9548 41.0794 174.7360 30 L 4.8211 8.4443 124.0282 52.1465 43.1248 174.8169 31 P 4.3937 0.0000 0.0000 62.5644 31.3840 175.5403 32 N 4.3283 8.2759 117.4518 54.1508 39.3549 172.9955 33 L 3.6828 7.6516 120.2814 55.8972 41.1279 174.4744 34 H 4.5182 9.4756 114.6254 55.2748 34.7354 173.0954 35 S 4.1361 8.0566 113.3371 57.9562 61.4051 170.5982 36 H 4.5983 8.0628 124.6827 54.5581 32.3338 174.1440 37 R 3.9571 7.6097 123.2345 55.4471 29.4796 175.2904 38 F 4.9255 8.7003 122.9508 56.2657 40.9581 175.5641 39 W 5.4155 9.3702 133.7158 55.7702 29.4341 175.5672 40 V 3.4093 8.2729 118.5980 62.2986 30.8348 175.2052 41 E 2.5400 5.9000 120.7876 56.2454 29.2158 175.8570 42 S 3.9493 7.6439 114.1856 61.4117 63.3628 175.4863 43 E 3.9063 7.8720 120.1047 55.7255 29.6729 177.7497 44 K 3.5728 7.5647 116.7663 57.3412 33.4925 176.3997 45 R 4.6557 7.3002 120.6722 55.7051 28.9756 176.5967 46 F 6.3000 9.3122 125.1116 58.8864 41.5935 172.6757 47 V 3.6071 7.1837 111.4489 60.1652 31.8573 175.0178 48 T 5.1174 8.5010 118.5058 58.9782 67.8327 172.8844 49 L 4.4225 8.3118 127.0581 54.5247 43.0793 176.6309 50 R 4.3012 8.5385 121.2361 56.1986 28.6213 175.4979 51 V 4.5604 8.1514 124.4031 61.4833 34.1919 174.0221 52 S 5.2610 8.4434 119.1216 55.9594 65.7499 173.3833 53 A 4.1906 8.6827 124.8418 53.5602 19.1102 177.3457 54 K 4.2824 9.1265 125.6491 57.8908 32.1109 178.5490 55 G 3.7356 7.6500 103.9760 47.5432 0.0000 175.3194 56 M 4.2780 8.0777 120.7233 58.2528 32.4109 178.3999 57 R 3.9649 8.1525 118.3464 59.1059 29.8454 179.2899 58 V 3.6139 7.2678 117.3160 66.1447 31.5583 177.9299 59 I 3.5830 7.7131 118.9890 64.5444 36.7390 177.3465 60 D 4.6639 8.0884 116.5998 55.3118 40.7655 176.7164 61 K 4.4059 7.3709 118.7052 56.9445 34.5477 177.0218 62 K 4.1029 9.6113 118.1071 59.5651 32.7750 175.6996 63 G 3.6824 7.6756 105.0253 44.7027 0.0000 174.5321 64 I 3.1049 8.6502 126.8830 64.8156 36.9667 178.0995 65 D 4.1981 7.8221 118.8155 57.7303 40.5299 178.8008 66 T 3.9401 7.6656 115.6284 66.7921 68.4049 176.1448 67 V 4.1200 8.5076 123.3654 65.0179 31.2071 177.8497 68 L 3.8030 8.5339 119.2103 57.1615 41.2557 179.4621 69 A 3.9090 8.0380 120.7476 55.2435 19.0646 178.9752 70 E 4.5498 9.0379 123.9932 53.4753 29.6712 180.6777 71 L 3.5675 9.3482 125.6791 56.4982 42.1284 175.7387 72 R 3.9402 6.2180 121.6384 59.8754 29.5785 178.7492 73 A 4.0760 8.4683 121.9124 55.2547 18.5677 179.6203 74 R 4.1019 7.8278 112.8904 57.6019 29.7266 177.3298 75 G 4.1272 7.2968 107.2069 45.4017 0.0000 173.3240 76 E 4.3676 8.5216 120.8981 54.9935 31.2774 180.3590 77 K 4.4484 7.9546 122.8121 55.1705 32.0257 176.3685 78 Y 3.9688 8.8287 118.8916 57.9071 39.5439 168.4769 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 S 8.33 4.18 0.00 3.89 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 3 R 6.87 3.34 0.00 1.97 2.30 0.00 3.15 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 4 V 7.28 4.57 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 0.74 0.00 0.00 0.99 0.00 0.00 5 C 8.45 3.80 0.00 2.96 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.28 4.13 0.00 2.39 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.62 0.00 7 V 7.59 4.04 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 0.88 0.00 0.00 8 T 7.40 4.50 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 1.21 0.00 0.00 9 G 8.09 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 10 K 7.96 4.17 0.00 1.84 1.80 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.46 7.81 11 R 8.10 4.65 0.00 1.80 1.88 0.00 3.21 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 12 P 0.00 5.28 0.00 2.12 2.10 0.00 3.37 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 13 V 8.47 4.32 2.04 0.00 0.00 0.00 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 0.83 0.00 0.00 14 T 8.34 4.64 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 1.24 0.00 0.00 15 G 8.01 4.43 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 0.00 16 N 8.83 5.61 0.00 2.62 2.72 0.00 0.00 6.82 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 17 N 9.50 4.27 0.00 2.64 2.86 0.00 0.00 7.08 8.32 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 18 R 8.10 4.37 0.00 1.87 1.92 0.00 3.13 0.00 0.00 3.94 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 19 S 7.43 4.31 0.00 4.06 4.02 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 0.00 0.00 0.00 20 H 8.60 3.83 0.00 3.24 3.27 0.00 5.98 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.52 3.69 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 22 L 7.43 3.69 0.00 1.80 1.74 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.81 4.61 0.00 2.62 2.74 0.00 0.00 6.89 6.97 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 24 A 8.53 4.77 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 25 T 8.32 4.43 4.23 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 1.20 0.00 0.00 26 K 8.72 4.48 0.00 1.64 1.79 0.00 2.01 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.42 7.81 27 R 8.25 4.35 0.00 1.59 1.57 0.00 2.89 0.00 0.00 2.84 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.79 0.00 28 R 7.87 4.87 0.00 2.00 1.97 0.00 3.00 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.45 0.00 29 F 9.56 4.75 0.00 2.88 3.05 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 30 L 8.44 4.82 0.00 1.64 1.60 0.92 1.12 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 31 P 0.00 4.39 0.00 2.05 2.05 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 32 N 8.28 4.33 0.00 2.70 2.86 0.00 0.00 7.08 7.78 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 33 L 7.65 3.68 0.00 1.71 1.59 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 34 H 9.48 4.52 0.00 3.07 3.25 0.00 5.81 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 35 S 8.06 4.14 0.00 4.10 3.97 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 36 H 8.06 4.60 0.00 3.01 2.42 0.00 5.86 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.61 3.96 0.00 1.32 1.39 0.00 2.21 0.00 0.00 2.82 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.23 0.00 38 F 8.70 4.93 0.00 3.33 3.01 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 39 W 9.37 5.42 0.00 3.44 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.27 3.41 1.92 0.00 0.00 0.00 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 0.67 0.00 0.00 41 E 5.90 2.54 0.00 1.66 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.27 0.00 42 S 7.64 3.95 0.00 3.93 3.89 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 43 E 7.87 3.91 0.00 1.98 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 2.36 2.28 0.00 44 K 7.56 3.57 0.00 1.81 1.87 0.00 1.87 0.00 0.00 1.60 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.53 7.81 45 R 7.30 4.66 0.00 1.86 1.01 0.00 3.47 0.00 0.00 3.17 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 46 F 9.31 6.30 0.00 3.30 3.09 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 47 V 7.18 3.61 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.14 0.00 0.00 48 T 8.50 5.12 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 49 L 8.31 4.42 0.00 1.91 2.01 1.24 0.49 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 50 R 8.54 4.30 0.00 1.88 1.94 0.00 3.23 0.00 0.00 3.17 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 51 V 8.15 4.56 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 1.13 0.00 0.00 1.35 0.00 0.00 52 S 8.44 5.26 0.00 3.97 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 53 A 8.68 4.19 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 54 K 9.13 4.28 0.00 1.96 1.94 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.38 7.81 55 G 7.65 3.74 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 0.00 0.00 0.00 56 M 8.08 4.28 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.98 0.00 57 R 8.15 3.96 0.00 2.04 2.01 0.00 3.14 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 58 V 7.27 3.61 2.23 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 0.99 0.00 0.00 0.94 0.00 0.00 59 I 7.71 3.58 1.70 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.12 0.42 0.00 0.00 60 D 8.09 4.66 0.00 2.80 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 61 K 7.37 4.41 0.00 1.86 1.89 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.35 7.81 62 K 9.61 4.10 0.00 1.66 1.78 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.34 7.81 63 G 7.68 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.65 3.10 1.73 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 1.49 0.20 0.67 0.00 0.00 65 D 7.82 4.20 0.00 2.61 2.64 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 66 T 7.67 3.94 4.18 0.00 0.00 0.00 0.00 0.00 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 67 V 8.51 4.12 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 1.08 0.00 0.00 0.77 0.00 0.00 68 L 8.53 3.80 0.00 1.39 0.94 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.04 3.91 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 70 E 9.04 4.55 0.00 2.03 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 2.29 2.47 0.00 71 L 9.35 3.57 0.00 1.84 1.56 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 72 R 6.22 3.94 0.00 1.99 2.56 0.00 2.85 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.73 0.00 73 A 8.47 4.08 1.42 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 0.00 0.00 74 R 7.83 4.10 0.00 1.98 2.09 0.00 3.20 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.76 0.00 75 G 7.30 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 76 E 8.52 4.37 0.00 1.92 1.93 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 2.38 2.37 0.00 77 K 7.95 4.45 0.00 1.95 1.20 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.61 7.81 78 Y 8.83 3.97 0.00 3.11 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00