NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1836 8.1801 122.4943 55.1367 43.3479 177.7949 2 A 4.3596 7.5607 126.8216 50.8063 18.6334 173.5337 3 A 4.9725 7.5402 125.0908 50.2273 23.7426 175.3667 4 V 4.2026 8.0213 113.7088 60.4095 29.8823 175.2331 5 S 4.6094 7.6243 115.3568 57.5867 65.6455 175.8034 6 V 4.3409 8.0875 120.5109 60.1714 33.0377 174.8337 7 D 4.6379 8.5405 120.8574 54.0233 40.5135 176.5328 8 C 4.9541 8.6618 123.3013 57.1334 40.3856 175.4788 9 S 4.0939 8.1446 116.2628 60.2907 62.3097 174.1708 10 E 4.6276 7.3812 117.5281 56.1432 29.6011 174.8458 11 Y 4.7426 7.5179 114.1284 55.4820 42.4115 173.3761 12 P 4.9394 0.0000 0.0000 62.1094 32.7416 175.5153 13 K 4.4274 8.5706 119.9935 54.6110 33.4602 175.1504 14 P 4.6542 0.0000 0.0000 62.6072 31.3346 175.7372 15 A 4.5545 7.6697 121.6348 51.6330 22.0512 175.6592 16 C 5.0603 8.6194 120.7865 54.8940 43.0720 175.1517 17 T 4.1172 8.4225 114.3356 61.7024 69.0668 173.0077 18 L 4.6730 8.2951 118.5411 54.5846 43.6790 176.7432 19 E 3.8925 8.3497 116.2541 57.0522 29.4480 175.8396 20 Y 4.7477 8.6273 124.6246 56.9960 39.7982 175.7509 21 R 4.5267 7.4870 121.4124 54.5739 31.7628 171.0018 22 P 5.3838 0.0000 0.0000 63.2341 33.0878 175.5314 23 L 4.8878 8.3670 122.5268 52.9299 45.1957 175.7072 24 C 5.0058 8.0179 120.3736 55.3011 40.6177 175.2621 25 G 4.0951 8.5023 113.1723 45.4289 0.0000 173.4300 26 S 4.3238 8.8052 113.0067 60.5316 62.5369 176.0620 27 D 4.6397 8.0413 117.0395 53.7546 39.4033 175.4124 28 N 4.3506 7.7628 114.9324 54.5992 36.1018 173.7146 29 K 4.6111 7.7591 117.9236 55.0379 34.8948 175.1331 30 T 4.7002 8.2674 122.4197 62.9627 70.0985 173.6807 31 Y 4.4679 8.3180 121.4866 56.0199 41.1471 176.7604 32 G 4.2674 9.0814 113.5512 48.4622 0.0000 172.3704 33 N 5.4598 8.0532 114.6676 51.6944 39.7996 174.0786 34 K 3.9361 8.8997 116.9581 61.1110 32.3777 178.7279 35 C 4.4236 8.3816 119.4427 59.7562 43.3353 175.2859 36 N 4.1349 7.6548 117.6030 55.9465 38.4120 177.0953 37 F 3.1198 7.9024 122.4096 60.9777 39.4809 176.2461 38 C 3.0894 7.4568 117.7476 59.3646 43.0133 175.1511 39 N 3.9147 7.3218 116.5052 56.3542 38.4388 176.9494 40 A 4.0090 7.2367 121.9229 54.9754 18.5311 179.4537 41 V 3.3733 6.8274 117.4811 65.6242 31.2721 178.5629 42 V 3.5248 7.6677 110.8117 63.9286 31.5233 177.0814 43 E 4.2360 7.7119 118.6713 56.9565 30.0266 176.5763 44 S 4.6513 7.9966 113.9316 58.3148 63.8866 173.7156 45 N 4.0233 8.9070 114.3376 57.4445 35.8609 173.9983 46 G 3.8935 7.3698 99.2197 48.0080 0.0000 172.9437 47 T 4.3297 7.7183 112.3627 61.5046 68.2043 174.3920 48 L 4.0968 7.3178 122.6989 54.5428 43.0387 172.3874 49 T 3.3677 7.5177 114.2148 60.8329 70.2467 171.4984 50 L 4.9405 8.5123 124.6855 53.4756 43.6494 175.5488 51 S 4.6208 8.0764 115.7255 59.4753 63.9843 173.3978 52 H 4.9557 7.4737 113.0714 54.4204 31.0076 173.0819 53 F 4.1486 8.9041 118.7526 57.5534 40.8930 175.6534 54 G 3.8337 8.0202 110.7948 45.7843 0.0000 173.3168 55 K 4.3381 8.1686 117.5239 55.1244 33.5624 177.6822 56 C 4.6172 8.4804 116.9778 57.5572 41.0490 174.0110 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 L 8.18 4.18 0.00 1.65 1.72 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 2 A 7.56 4.36 1.29 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 0.00 0.00 0.00 3 A 7.54 4.97 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 4 V 8.02 4.20 2.19 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 0.98 0.00 0.00 0.95 0.00 0.00 5 S 7.62 4.61 0.00 4.03 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 6 V 8.09 4.34 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 0.88 0.00 0.00 1.06 0.00 0.00 7 D 8.54 4.64 0.00 2.70 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 8 C 8.66 4.95 0.00 2.93 2.99 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 9 S 8.14 4.09 0.00 4.09 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 10 E 7.38 4.63 0.00 1.65 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 2.18 2.24 0.00 11 Y 7.52 4.74 0.00 3.04 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 12 P 0.00 4.94 0.00 2.29 2.07 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 13 K 8.57 4.43 0.00 1.80 1.68 0.00 1.01 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.18 0.85 7.81 14 P 0.00 4.65 0.00 2.18 2.13 0.00 3.74 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 1.96 1.94 0.00 15 A 7.67 4.55 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 16 C 8.62 5.06 0.00 2.99 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 17 T 8.42 4.12 4.48 0.00 0.00 0.00 0.00 0.00 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 18 L 8.30 4.67 0.00 1.64 1.75 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.35 3.89 0.00 2.13 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 0.00 2.36 2.34 0.00 20 Y 8.63 4.75 0.00 2.88 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 21 R 7.49 4.53 0.00 1.93 1.97 0.00 2.88 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 22 P 0.00 5.38 0.00 1.98 1.99 0.00 3.37 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.39 0.00 23 L 8.37 4.89 0.00 1.01 0.63 0.97 0.40 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 24 C 8.02 5.01 0.00 2.36 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 25 G 8.50 4.10 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 0.00 0.00 0.00 26 S 8.81 4.32 0.00 4.00 4.04 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 27 D 8.04 4.64 0.00 2.83 2.80 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 28 N 7.76 4.35 0.00 2.98 3.06 0.00 0.00 6.71 7.49 0.00 0.00 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 K 7.76 4.61 0.00 1.80 1.69 0.00 1.52 0.00 0.00 1.53 0.00 0.00 2.54 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.00 1.18 7.81 30 T 8.27 4.70 4.19 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 1.21 0.00 0.00 31 Y 8.32 4.47 0.00 3.17 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.08 4.27 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 0.00 33 N 8.05 5.46 0.00 2.88 2.99 0.00 0.00 6.56 7.05 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 34 K 8.90 3.94 0.00 2.12 2.21 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.59 1.68 7.81 35 C 8.38 4.42 0.00 3.14 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 36 N 7.65 4.13 0.00 3.17 3.26 0.00 0.00 7.52 7.43 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 37 F 7.90 3.12 0.00 2.99 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 38 C 7.46 3.09 0.00 1.73 1.18 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 39 N 7.32 3.91 0.00 2.80 2.81 0.00 0.00 7.29 6.91 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 40 A 7.24 4.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.83 3.37 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.18 0.00 0.00 42 V 7.67 3.52 2.05 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 0.79 0.00 0.00 0.92 0.00 0.00 43 E 7.71 4.24 0.00 2.19 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 2.28 2.22 0.00 44 S 8.00 4.65 0.00 4.00 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 45 N 8.91 4.02 0.00 2.91 2.92 0.00 0.00 6.43 6.99 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 46 G 7.37 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 0.00 0.00 0.00 47 T 7.72 4.33 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 48 L 7.32 4.10 0.00 1.64 1.51 1.09 0.93 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 49 T 7.52 3.37 4.28 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 1.21 0.00 0.00 50 L 8.51 4.94 0.00 0.83 1.64 -0.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.08 4.62 0.00 3.83 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 52 H 7.47 4.96 0.00 3.40 3.36 0.00 5.52 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.90 4.15 0.00 2.91 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.02 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 0.00 0.00 0.00 55 K 8.17 4.34 0.00 1.77 1.76 0.00 1.83 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.46 7.81 56 C 8.48 4.62 0.00 2.99 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