NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9876 8.3549 109.7366 45.8720 0.0000 173.1437 2 S 4.6061 8.0903 113.4857 57.3087 63.4217 173.5366 3 S 4.3206 8.2407 115.5807 58.7308 64.3045 173.4474 4 G 4.1659 8.0228 109.7437 43.3177 0.0000 172.2974 5 S 4.1293 8.4587 114.0821 57.6721 62.2290 174.3513 6 S 4.2793 8.5671 124.8387 58.5708 61.1471 173.8131 7 G 3.7942 8.2788 114.1327 45.0169 0.0000 171.2340 8 S 4.5664 8.7266 118.8099 57.4628 65.5767 174.4081 9 G 3.8583 9.0390 112.4027 46.2799 0.0000 172.6351 10 E 4.3967 8.4468 124.4970 55.1659 30.7597 175.9541 11 K 4.6872 8.2163 122.2053 53.7658 34.8552 174.7531 12 P 4.1799 0.0000 0.0000 65.4006 31.8147 176.1509 13 Y 4.9014 7.2908 115.9683 56.1542 40.1254 175.3151 14 K 5.8016 8.4812 121.0838 54.0296 36.3779 175.8711 15 C 4.4598 9.0094 124.7732 59.9556 32.3731 174.1394 16 V 4.2261 8.3337 120.9294 62.3417 32.8126 177.3725 17 E 4.0451 8.2985 119.8855 58.9136 29.6219 177.0150 18 C 4.4810 8.0426 110.8193 59.1026 31.2222 174.6557 19 G 4.5488 8.4550 106.9526 44.8065 0.0000 173.4093 20 K 4.2846 8.1690 120.0904 56.3477 33.7333 175.6607 21 G 4.5478 8.2110 107.1541 45.5538 0.0000 171.9949 22 Y 4.7526 9.0679 122.9304 55.8338 40.8090 176.8943 23 K 3.9259 9.2212 125.1184 58.5992 32.9623 176.7525 24 R 4.7931 7.9297 118.5450 54.0135 32.4508 175.2012 25 R 3.1642 8.4066 125.5843 59.7924 29.5197 178.1513 26 L 3.7436 7.4749 118.0427 58.2348 42.4481 178.2048 27 D 4.4646 7.9117 118.3010 57.3536 40.8276 178.6188 28 L 2.8211 7.4736 119.8852 58.0072 41.9277 177.9990 29 D 4.2835 8.0887 116.8122 57.6618 41.0666 177.9796 30 F 4.0265 8.0180 120.1407 60.4134 39.3594 177.1228 31 H 4.2768 8.5904 118.6633 59.5022 29.6828 177.0053 32 Q 4.0435 8.1675 119.2816 59.0614 28.2884 179.3953 33 R 3.8594 7.3148 119.1042 58.7590 29.8715 179.2278 34 V 3.5541 7.8597 111.0410 64.6662 31.5109 177.9935 35 H 4.4356 8.0442 115.7487 58.3822 28.5814 177.7374 36 T 4.0960 7.8015 111.5194 62.2792 69.1198 174.2377 37 G 4.5969 6.5324 118.1594 44.5977 0.0000 171.7076 38 E 4.4829 8.1438 122.9384 54.7531 33.4628 174.7702 39 K 4.3488 8.6224 123.7511 55.6159 32.9709 174.5490 40 L 4.4249 8.2654 122.9928 56.4196 43.9904 176.6986 41 S 4.2583 7.9409 111.0075 58.7256 62.3987 171.9471 42 G 3.9425 7.5656 116.5186 45.7280 0.0000 171.9361 43 P 4.3872 0.0000 0.0000 61.4960 32.2806 176.2318 44 S 4.4149 8.4383 116.9762 57.1837 64.0786 174.1909 45 S 4.2672 8.4917 118.4101 59.2085 63.1807 174.5720 46 G 3.7360 8.2689 108.7578 46.4105 0.0000 173.3541 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 G 8.35 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.09 4.61 0.00 3.91 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.24 4.32 0.00 3.86 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 4 G 8.02 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 0.00 0.00 0.00 5 S 8.46 4.13 0.00 3.84 3.79 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 6 S 8.57 4.28 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.28 3.79 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 0.00 0.00 0.00 8 S 8.73 4.57 0.00 3.81 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 9 G 9.04 3.86 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 0.00 0.00 0.00 10 E 8.45 4.40 0.00 1.93 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 2.26 2.37 0.00 11 K 8.22 4.69 0.00 1.70 1.89 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.45 7.81 12 P 0.00 4.18 0.00 1.29 1.89 0.00 3.88 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 13 Y 7.29 4.90 0.00 3.30 2.92 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 0.00 0.00 0.00 0.00 14 K 8.48 5.80 0.00 1.63 1.76 0.00 1.83 0.00 0.00 2.31 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.32 7.81 15 C 9.01 4.46 0.00 3.18 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 16 V 8.33 4.23 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 0.75 0.00 0.00 0.93 0.00 0.00 17 E 8.30 4.05 0.00 1.21 1.62 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 2.16 1.98 0.00 18 C 8.04 4.48 0.00 3.14 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 19 G 8.45 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 4.28 0.00 1.83 1.84 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.75 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.59 1.43 7.81 21 G 8.21 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.07 4.75 0.00 3.00 3.02 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 23 K 9.22 3.93 0.00 1.76 1.93 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.49 7.81 24 R 7.93 4.79 0.00 1.93 2.07 0.00 3.27 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 25 R 8.41 3.16 0.00 0.67 1.40 0.00 2.82 0.00 0.00 2.68 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 26 L 7.47 3.74 0.00 1.63 1.66 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.91 4.46 0.00 3.04 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 28 L 7.47 2.82 0.00 1.51 1.63 1.02 1.12 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 29 D 8.09 4.28 0.00 2.53 2.85 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 0.00 0.00 0.00 30 F 8.02 4.03 0.00 3.17 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 31 H 8.59 4.28 0.00 3.06 3.01 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.17 4.04 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 33 R 7.31 3.86 0.00 1.89 1.93 0.00 2.21 0.00 0.00 2.80 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.17 0.00 34 V 7.86 3.55 2.00 0.00 0.00 0.00 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 0.69 0.00 0.00 35 H 8.04 4.44 0.00 3.28 3.32 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.80 4.10 4.20 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 1.21 0.00 0.00 37 G 6.53 4.60 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 0.00 0.00 0.00 38 E 8.14 4.48 0.00 1.90 1.81 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 2.19 2.25 0.00 39 K 8.62 4.35 0.00 1.85 1.84 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.40 7.81 40 L 8.27 4.42 0.00 1.57 1.67 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.94 4.26 0.00 3.87 3.78 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 42 G 7.57 3.94 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 0.00 0.00 0.00 43 P 0.00 4.39 0.00 2.19 2.07 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 44 S 8.44 4.41 0.00 4.00 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 45 S 8.49 4.27 0.00 4.00 3.94 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 46 G 8.27 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