NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2954 8.2493 123.5817 50.9529 19.4150 176.5866 7 P 4.3220 0.0000 0.0000 61.2515 31.7018 175.4099 8 D 4.7686 8.7429 123.4427 52.2007 43.9187 177.5005 9 F 4.0846 8.7219 119.5928 62.2862 39.2010 177.1426 10 H 4.4491 8.1641 115.2520 58.8815 28.3816 177.4741 11 D 4.2899 8.7386 121.0998 57.2197 40.4668 179.0233 12 K 3.6256 7.5961 117.5908 59.0030 32.2878 178.2777 13 Y 4.6659 7.8401 114.8478 57.4099 39.0571 177.9042 14 G 4.0207 8.0036 108.0072 48.3381 0.0000 175.2176 15 N 4.3105 8.2456 118.6433 55.6711 38.5077 177.2187 16 A 3.9708 7.9260 121.3948 55.1819 18.6664 179.3753 17 V 3.5624 7.9861 116.8413 66.1927 31.5736 177.8909 18 L 3.9451 8.2526 119.7277 58.1993 41.9939 178.6364 19 A 4.0065 8.1209 120.7870 55.4074 18.3729 179.8790 20 S 4.3227 8.5550 112.6757 61.0769 63.0919 176.9633 21 G 3.6210 8.2632 109.5875 47.8015 0.0000 175.6498 22 A 4.0844 8.1414 123.7453 54.9979 18.3039 179.9605 23 T 3.8559 8.1293 114.2704 66.6445 68.5328 176.6270 24 F 4.2490 8.5119 122.7098 61.5684 39.4016 176.2304 25 C 3.8245 8.2814 118.1689 62.7905 31.3096 175.7693 26 V 3.5940 7.7713 118.8581 65.9112 31.1441 177.7516 27 A 4.0331 8.1873 120.6905 55.3691 18.3430 180.1168 28 V 3.5983 7.9718 117.9470 64.5947 31.3185 178.6227 29 W 3.9104 8.4862 119.8819 59.4011 29.0247 178.7235 30 V 3.6458 8.1250 118.3650 65.9584 30.8692 177.3884 31 Y 4.0530 8.1568 119.3276 61.0240 38.4619 177.8674 32 M 3.8137 7.9547 117.3400 58.6201 32.4095 177.7923 33 A 4.7332 8.3534 120.3172 54.3884 18.6702 177.9859 34 T 4.5592 7.7926 104.0661 61.4640 70.2099 174.5815 35 Q 4.4234 8.1484 120.0355 55.6187 29.5886 175.7456 36 I 4.1912 7.5328 110.0070 60.1176 38.0567 175.5042 37 G 3.7412 8.1003 107.8003 46.8085 0.0000 173.8271 38 I 3.6377 7.5762 119.8759 60.1714 37.8274 175.4380 39 E 4.2605 8.1824 126.0595 54.7012 29.4765 175.6332 40 W 4.2144 8.7045 127.1154 57.1557 30.2464 176.0259 41 N 4.1143 7.9874 115.6799 53.9144 36.5570 170.8325 42 P 4.6012 0.0000 0.0000 61.7891 33.0587 176.6841 43 S 4.2508 8.2964 113.4700 57.7653 62.8519 172.5065 44 P 4.3240 0.0000 0.0000 64.6861 31.5229 176.4969 45 V 3.6756 7.2929 118.0502 64.5366 31.3544 176.3627 46 G 4.0760 9.0700 115.6557 45.4215 0.0000 173.6024 47 R 4.4078 8.1470 114.9836 56.5562 31.3707 176.5005 48 V 4.0810 7.5879 116.8086 61.4403 32.7336 174.9964 49 T 4.3926 8.2123 123.4255 61.1746 68.6743 173.0106 50 P 4.3019 0.0000 0.0000 62.7358 31.8784 175.8795 51 K 4.6458 8.3850 123.1133 53.8992 34.7029 175.3435 52 E 4.0159 8.8737 124.3826 57.0400 29.8367 176.9019 53 W 4.6765 8.0986 118.7424 57.1719 30.5209 175.4170 54 R 3.2558 6.2106 122.2957 55.9770 29.2890 175.7162 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 6 A 8.25 4.30 1.28 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 0.00 0.00 7 P 0.00 4.32 0.00 2.19 2.05 0.00 3.35 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 8 D 8.74 4.77 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 9 F 8.72 4.08 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.16 4.45 0.00 3.39 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.74 4.29 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.60 3.63 0.00 0.79 0.76 0.00 1.36 0.00 0.00 1.38 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.19 1.48 7.81 13 Y 7.84 4.67 0.00 2.14 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 14 G 8.00 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 0.00 0.00 0.00 15 N 8.25 4.31 0.00 2.73 2.89 0.00 0.00 6.88 7.12 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 16 A 7.93 3.97 1.41 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 0.00 0.00 17 V 7.99 3.56 2.33 0.00 0.00 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 1.13 0.00 0.00 18 L 8.25 3.95 0.00 1.82 1.90 0.95 1.36 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 19 A 8.12 4.01 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.55 4.32 0.00 4.08 4.17 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 21 G 8.26 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 22 A 8.14 4.08 1.44 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 0.00 0.00 23 T 8.13 3.86 4.39 0.00 0.00 0.00 0.00 0.00 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 24 F 8.51 4.25 0.00 3.15 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 25 C 8.28 3.82 0.00 3.21 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 26 V 7.77 3.59 2.11 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 0.98 0.00 0.00 0.96 0.00 0.00 27 A 8.19 4.03 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 28 V 7.97 3.60 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 0.47 0.00 0.00 0.78 0.00 0.00 29 W 8.49 3.91 0.00 3.48 3.32 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 30 V 8.13 3.65 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 1.04 0.00 0.00 0.99 0.00 0.00 31 Y 8.16 4.05 0.00 3.13 3.14 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 32 M 7.95 3.81 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 33 A 8.35 4.73 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 34 T 7.79 4.56 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 35 Q 8.15 4.42 0.00 1.21 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.96 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 36 I 7.53 4.19 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.53 0.68 0.00 0.00 37 G 8.10 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 38 I 7.58 3.64 1.51 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.41 -0.30 0.00 0.00 39 E 8.18 4.26 0.00 1.80 1.75 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 0.00 2.20 2.35 0.00 40 W 8.70 4.21 0.00 3.34 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 41 N 7.99 4.11 0.00 2.82 2.85 0.00 0.00 7.22 7.35 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 42 P 0.00 4.60 0.00 2.24 2.10 0.00 3.91 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 2.03 2.01 0.00 43 S 8.30 4.25 0.00 3.86 3.81 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 44 P 0.00 4.32 0.00 2.22 2.08 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 45 V 7.29 3.68 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 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.07 4.08 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 0.00 0.00 0.00 47 R 8.15 4.41 0.00 1.87 2.02 0.00 3.07 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 48 V 7.59 4.08 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 0.85 0.00 0.00 0.94 0.00 0.00 49 T 8.21 4.39 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 1.23 0.00 0.00 50 P 0.00 4.30 0.00 2.08 2.06 0.00 3.64 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 2.06 2.11 0.00 51 K 8.38 4.65 0.00 1.71 1.70 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.44 7.81 52 E 8.87 4.02 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 53 W 8.10 4.68 0.00 3.55 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 54 R 6.21 3.26 0.00 0.67 0.66 0.00 2.88 0.00 0.00 3.02 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.20 0.00