NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 M 4.4352 8.3049 120.3288 55.1939 33.6254 175.4649 0 Q 4.2296 8.0091 116.6847 55.3690 30.1605 174.4021 1 T 4.3624 7.9418 116.0764 62.3825 71.5634 175.2509 2 L 3.9499 8.0304 122.2309 57.5687 41.6257 178.4953 3 S 4.1472 7.8298 113.9118 61.2404 62.8560 176.1893 4 E 4.0161 7.9769 121.8937 59.1524 29.3821 179.1687 5 R 3.9370 7.3562 117.6136 58.8274 30.0031 178.5908 6 L 3.9199 8.0903 120.6226 58.0567 41.9945 178.9308 7 K 3.8901 7.6803 118.5193 59.4820 32.1412 178.4088 8 K 3.8626 7.8590 119.5229 59.7019 32.0176 178.5540 9 R 3.9467 8.1103 118.6776 59.5988 30.1852 178.4563 10 R 3.9216 8.7822 118.7435 59.3671 29.9816 178.5770 11 I 3.8722 8.4724 119.9666 63.9762 37.0273 178.0882 12 A 4.0705 8.1097 121.9271 54.7072 18.4040 177.8967 13 L 4.3665 8.1286 114.6027 53.9011 42.0578 177.3707 14 K 3.9497 7.4332 116.8185 58.1469 29.8790 174.6248 15 M 4.7134 8.2745 116.9630 53.4076 35.3000 176.6820 16 T 4.1916 8.1552 116.9647 61.7918 68.6708 174.6000 17 Q 4.2419 8.4778 120.6008 57.4602 28.9374 177.9543 18 T 4.2856 7.6947 114.1185 64.5321 69.7361 176.5787 19 E 4.0246 8.0255 120.4236 59.0192 30.0408 178.0960 20 L 3.8568 7.7189 122.0748 57.6933 41.5725 178.8317 21 A 3.9446 7.7961 120.2456 55.1069 18.1017 178.5535 22 T 4.4832 7.4265 108.8882 62.2274 67.9544 176.4724 23 K 3.8445 8.1903 121.7568 59.7735 32.3213 177.1526 24 A 4.3736 8.1162 119.1422 51.4991 18.3139 177.1068 25 G 3.8892 7.5829 104.2316 47.4309 0.0000 174.6105 26 V 4.0776 8.6215 114.4417 59.2635 34.1269 175.2755 27 K 4.5498 7.8558 118.4058 55.1662 34.2773 177.5672 28 Q 3.9805 8.4665 121.7480 59.3414 28.6391 178.5490 29 Q 4.1119 8.0640 118.2768 58.3022 28.6994 178.1786 30 S 4.3825 7.8577 116.1676 60.5531 63.1958 176.1694 31 I 3.9204 7.5275 122.1185 63.3637 36.9813 177.9397 32 Q 3.8934 7.9148 120.1555 59.1716 29.0487 177.7951 33 L 3.9486 7.4479 118.5877 58.2119 41.3228 179.7128 34 I 3.8434 7.2819 118.6476 64.6428 36.8137 178.4261 35 E 3.9904 7.8708 117.7769 59.0095 29.3674 178.8083 36 A 4.1525 8.0509 120.1880 53.2492 18.5429 178.4669 37 G 3.8670 7.6272 104.8260 45.2355 0.0000 175.1189 38 V 3.6276 7.5182 119.3531 65.9496 31.7149 176.1637 39 T 4.3399 7.5416 115.1166 62.6445 69.1196 174.7827 40 K 4.4261 8.5278 124.1652 56.6831 34.2607 177.0444 41 R 4.5469 7.4224 116.7545 53.1758 31.0196 172.6308 42 P 4.2936 0.0000 0.0000 63.2091 31.9880 177.4220 43 R 4.1135 8.4734 119.3279 57.3298 30.6887 176.5631 44 F 4.7799 7.8645 115.8249 57.7237 38.4269 177.2603 45 L 3.9077 7.8770 124.4038 57.3731 41.6738 177.8035 46 F 4.8490 7.8359 116.4140 59.5892 40.2295 177.5111 47 E 4.1565 8.3730 117.6692 59.5651 29.2611 179.2236 48 I 4.0221 8.2370 119.5533 63.8228 37.2151 178.1758 49 A 4.2398 7.6019 122.2292 54.9754 18.0693 179.5376 50 M 4.0209 8.0624 116.8387 58.5941 31.8845 178.6127 51 A 4.0324 7.3025 117.8313 55.2978 18.7534 179.1721 52 L 4.1574 8.2187 114.2789 54.5672 42.6660 176.5403 53 N 4.2610 8.3357 116.4524 54.5915 36.4521 172.6064 54 C 4.9163 8.2761 110.6988 55.7601 33.6543 173.4073 55 D 4.5699 8.5617 119.9117 53.3762 41.5804 174.7054 56 P 4.3551 0.0000 0.0000 66.4641 31.0902 178.7322 57 V 3.8616 8.7225 118.3871 65.0977 31.1089 177.9012 58 W 4.2652 8.4259 127.7318 60.4824 30.6956 177.2458 59 L 3.0245 8.1473 118.5253 57.8957 41.4950 177.9128 60 Q 3.8398 7.8663 119.3012 58.0693 29.3103 176.4795 61 Y 4.7245 7.5212 114.5027 55.9544 41.7782 176.3610 62 G 3.9780 8.3123 112.9672 46.0556 0.0000 172.1736 63 T 4.6785 8.3109 120.1360 62.2328 71.1030 174.5805 64 K 4.1617 8.2708 122.3351 57.2881 32.4190 175.8791 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 M 8.30 4.44 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 0 Q 8.01 4.23 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.50 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 1 T 7.94 4.36 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 1.16 0.00 0.00 2 L 8.03 3.95 0.00 1.54 1.50 0.72 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 3 S 7.83 4.15 0.00 4.15 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 4 E 7.98 4.02 0.00 1.99 2.02 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 2.37 2.35 0.00 5 R 7.36 3.94 0.00 1.47 1.15 0.00 2.21 0.00 0.00 2.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 6 L 8.09 3.92 0.00 1.68 1.64 0.94 0.52 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 7 K 7.68 3.89 0.00 2.03 1.80 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.71 7.81 8 K 7.86 3.86 0.00 2.13 1.94 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.51 7.81 9 R 8.11 3.95 0.00 2.46 2.18 0.00 3.26 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.80 0.00 10 R 8.78 3.92 0.00 1.89 2.15 0.00 3.33 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 11 I 8.47 3.87 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.68 0.92 0.00 0.00 12 A 8.11 4.07 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 13 L 8.13 4.37 0.00 1.66 1.70 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.43 3.95 0.00 1.85 1.80 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.54 7.81 15 M 8.27 4.71 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.43 0.00 16 T 8.16 4.19 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 1.26 0.00 0.00 17 Q 8.48 4.24 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.51 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 18 T 7.69 4.29 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 19 E 8.03 4.02 0.00 2.19 2.18 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 2.36 2.43 0.00 20 L 7.72 3.86 0.00 1.69 1.73 0.94 1.10 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 21 A 7.80 3.94 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 22 T 7.43 4.48 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 1.25 0.00 0.00 23 K 8.19 3.84 0.00 1.86 1.83 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.40 7.81 24 A 8.12 4.37 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 25 G 7.58 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 26 V 8.62 4.08 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 0.16 0.00 0.00 0.86 0.00 0.00 27 K 7.86 4.55 0.00 1.71 1.85 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.30 7.81 28 Q 8.47 3.98 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 29 Q 8.06 4.11 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 30 S 7.86 4.38 0.00 3.91 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 31 I 7.53 3.92 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.37 0.90 0.00 0.00 32 Q 7.91 3.89 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 33 L 7.45 3.95 0.00 1.76 1.71 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.28 3.84 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.85 0.00 0.00 35 E 7.87 3.99 0.00 2.30 1.99 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 2.33 2.30 0.00 36 A 8.05 4.15 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 37 G 7.63 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 38 V 7.52 3.63 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 0.78 0.00 0.00 0.91 0.00 0.00 39 T 7.54 4.34 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 40 K 8.53 4.43 0.00 1.64 1.73 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.37 7.81 41 R 7.42 4.55 0.00 1.67 1.72 0.00 3.21 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 42 P 0.00 4.29 0.00 2.16 2.08 0.00 3.78 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 43 R 8.47 4.11 0.00 1.67 1.82 0.00 2.30 0.00 0.00 2.89 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.41 0.00 44 F 7.86 4.78 0.00 3.10 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 45 L 7.88 3.91 0.00 1.65 1.16 0.77 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.84 4.85 0.00 3.10 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 47 E 8.37 4.16 0.00 2.22 2.18 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 2.63 2.77 0.00 48 I 8.24 4.02 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.89 0.94 0.00 0.00 49 A 7.60 4.24 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 0.00 0.00 0.00 0.00 0.00 50 M 8.06 4.02 0.00 2.16 2.36 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 2.96 2.70 0.00 51 A 7.30 4.03 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 52 L 8.22 4.16 0.00 1.68 1.83 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.34 4.26 0.00 2.84 2.87 0.00 0.00 6.69 7.92 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 54 C 8.28 4.92 0.00 3.09 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 55 D 8.56 4.57 0.00 2.78 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 56 P 0.00 4.36 0.00 2.73 2.59 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 57 V 8.72 3.86 2.20 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 1.09 0.00 0.00 1.07 0.00 0.00 58 W 8.43 4.27 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 59 L 8.15 3.02 0.00 1.74 1.73 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.87 3.84 0.00 1.90 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.47 0.00 0.00 0.00 0.00 0.00 2.14 1.16 0.00 61 Y 7.52 4.72 0.00 3.11 2.76 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 62 G 8.31 3.98 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 0.00 0.00 0.00 63 T 8.31 4.68 4.40 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 1.29 0.00 0.00 64 K 8.27 4.16 0.00 1.68 1.63 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.45 7.81