NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2211 8.1701 117.3741 63.1610 69.8372 173.4806 3 A 4.0972 8.4157 128.1309 51.5894 19.2197 174.9371 4 L 4.6792 8.4020 120.8400 52.6858 44.7539 175.3192 5 A 4.1077 8.3154 125.7722 51.4178 19.0989 177.1675 6 K 3.9984 8.4766 123.4383 55.6194 32.2125 175.2273 7 P 4.5692 0.0000 0.0000 61.4024 32.7732 175.1600 8 Q 4.1324 8.4066 119.7764 56.3320 29.0858 175.0825 9 M 4.6187 8.6321 123.4054 55.0558 34.4519 175.9423 10 R 4.5037 7.8696 117.4798 55.0370 32.4084 175.7030 11 G 4.3106 8.5896 105.4658 46.2363 0.0000 175.9343 12 L 3.9672 7.4366 121.1083 57.2201 41.6170 178.7641 13 L 3.8947 7.8518 119.5128 58.2216 42.1514 178.5094 14 A 3.9809 8.0553 120.2232 55.3159 18.2351 179.1304 15 R 3.8287 8.0035 117.0034 59.7836 30.2089 178.5586 16 R 3.9934 8.2740 118.3948 59.5123 29.8689 178.1609 17 L 3.9409 8.2694 120.2520 58.0527 42.1182 178.5164 18 R 3.8738 8.3683 118.8948 59.6696 29.9507 178.1194 19 F 3.9897 8.3876 119.8696 61.8473 39.6332 176.8302 20 H 4.3542 8.5702 115.0787 58.0185 28.5378 177.9784 21 I 3.7686 8.0777 122.7766 64.1883 36.9496 178.4394 22 V 3.6416 7.6135 118.9465 66.0061 31.0735 178.1843 23 G 3.5329 7.9362 105.1977 47.8224 0.0000 175.4046 24 A 4.0635 7.9254 122.6596 54.6354 18.4674 179.4193 25 F 4.1512 8.3029 119.2835 61.9395 39.5050 177.2962 26 M 3.9455 8.3514 118.2546 58.4044 31.6976 178.9622 27 V 3.6813 7.4909 118.0376 65.7828 31.5615 178.3659 28 S 4.1924 8.0241 115.2585 61.4020 62.6414 176.6207 29 L 3.9807 7.7786 121.9249 57.7234 41.2530 179.8136 30 G 3.6437 8.1236 105.6484 47.3765 0.0000 175.6546 31 F 4.2717 8.3782 122.7599 61.0003 39.4884 177.0211 32 A 3.8295 8.3599 120.7439 55.7105 17.9411 179.4453 33 T 3.8058 7.6850 112.4325 67.0697 68.8978 176.1863 34 F 4.3254 7.9209 122.3563 61.2177 39.3747 176.5336 35 Y 3.5741 8.2371 119.5551 60.2748 38.6561 179.8796 36 K 4.2467 8.0552 119.1320 55.5448 32.2541 177.3906 37 F 4.8001 7.5045 120.2217 59.6361 45.8844 174.8681 38 A 3.6228 7.4254 120.6444 52.1154 18.3304 177.4568 39 V 3.9475 6.3490 115.0384 63.2738 35.6565 176.8443 40 A 3.8905 7.9816 120.7887 55.2640 18.4165 179.5693 41 E 3.8253 7.8751 116.3238 59.4939 29.6632 179.0562 42 K 3.6125 7.4026 119.7600 59.7039 32.0270 178.6553 43 R 3.9153 7.8057 118.3004 59.4321 30.1206 178.5814 44 K 4.0170 7.8797 117.8847 59.2894 31.8968 179.3290 45 K 3.9695 8.3595 119.8386 59.3232 32.1826 178.6032 46 A 3.9021 8.1401 121.1711 55.6309 18.3281 179.3210 47 Y 3.8033 8.1892 114.8009 60.9731 37.8182 178.3723 48 A 4.1529 8.3098 121.7908 55.3593 18.3123 179.3893 49 D 4.3512 8.7555 117.3650 57.3921 40.9369 178.6779 50 F 4.0953 8.0421 120.1245 61.4506 39.6310 176.3795 51 Y 4.4284 7.9040 112.6788 58.7984 37.9441 177.3307 52 R 4.1157 7.6860 120.4612 58.7261 31.2955 177.1124 53 N 5.0282 7.8922 112.6987 52.2890 39.0747 174.1984 54 Y 4.2733 7.7263 118.4791 56.2641 40.5785 174.1859 55 D 4.5128 7.7784 126.3998 52.2758 42.8931 176.6130 56 S 3.7730 7.9954 123.6524 61.6842 63.0761 176.2141 57 M 4.2779 8.0039 121.8351 57.8756 31.7808 178.4562 58 K 3.9187 7.9130 118.5822 59.2904 32.3550 178.3812 59 D 4.4476 8.0512 118.3130 57.5094 41.1744 177.8150 60 F 4.3800 8.7681 121.5117 61.4513 39.1774 176.7048 61 E 3.5403 8.4142 118.7754 59.3417 29.2804 178.7329 62 E 3.9102 7.9096 117.1693 59.4927 29.8299 179.0465 63 M 4.1133 7.9671 118.9970 58.1167 32.0093 178.6557 64 R 4.0756 7.9764 119.0722 59.4506 30.0644 178.5738 65 K 4.0156 8.1219 116.2358 58.2381 32.1101 178.2327 66 A 4.3544 7.6161 119.6098 51.5902 19.0642 177.4971 67 G 3.8336 8.0374 105.5914 46.5146 0.0000 175.2585 68 I 3.8007 7.6001 115.0400 62.5866 38.1831 176.3749 69 F 4.7515 7.7049 118.6408 57.4757 39.6004 174.7765 70 Q 4.4661 8.9159 121.0995 57.1618 29.8785 176.9807 71 S 4.5621 8.1297 108.8753 58.0141 63.5147 174.5279 72 A 4.4953 7.5219 124.1927 51.5864 19.5431 176.5195 73 K 4.2374 8.4455 119.4988 57.2065 32.2773 177.4422 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 T 8.17 4.22 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 3 A 8.42 4.10 1.27 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 4 L 8.40 4.68 0.00 1.62 1.57 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.32 4.11 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 6 K 8.48 4.00 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 P 0.00 4.57 0.00 2.21 2.05 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 8 Q 8.41 4.13 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 M 8.63 4.62 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 10 R 7.87 4.50 0.00 1.86 1.82 0.00 3.27 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 11 G 8.59 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 0.00 0.00 0.00 0.00 12 L 7.44 3.97 0.00 1.72 1.72 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.85 3.89 0.00 1.75 1.66 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.06 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.00 3.83 0.00 1.96 2.12 0.00 3.35 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 16 R 8.27 3.99 0.00 1.93 2.11 0.00 3.15 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 17 L 8.27 3.94 0.00 1.90 1.91 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.37 3.87 0.00 2.00 2.19 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 19 F 8.39 3.99 0.00 3.13 3.25 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 0.00 20 H 8.57 4.35 0.00 3.46 3.39 0.00 5.86 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 21 I 8.08 3.77 1.95 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 1.55 0.93 0.89 0.00 0.00 22 V 7.61 3.64 2.17 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 0.93 0.00 0.00 0.83 0.00 0.00 23 G 7.94 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.06 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 25 F 8.30 4.15 0.00 3.08 3.23 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 26 M 8.35 3.95 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.95 0.00 27 V 7.49 3.68 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 1.02 0.00 0.00 1.01 0.00 0.00 28 S 8.02 4.19 0.00 4.02 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 29 L 7.78 3.98 0.00 1.57 1.57 0.43 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.12 3.64 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 0.00 0.00 0.00 31 F 8.38 4.27 0.00 3.13 3.33 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 0.00 0.00 0.00 0.00 32 A 8.36 3.83 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 33 T 7.68 3.81 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 1.19 0.00 0.00 34 F 7.92 4.33 0.00 3.07 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 35 Y 8.24 3.57 0.00 2.49 2.84 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 36 K 8.06 4.25 0.00 1.79 1.84 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.55 7.81 37 F 7.50 4.80 0.00 2.86 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 38 A 7.43 3.62 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.35 3.95 0.89 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 0.54 0.00 0.00 0.44 0.00 0.00 40 A 7.98 3.89 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.88 3.83 0.00 2.02 1.94 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 2.55 2.33 0.00 42 K 7.40 3.61 0.00 1.59 1.60 0.00 1.36 0.00 0.00 1.38 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.26 7.81 43 R 7.81 3.92 0.00 2.07 2.07 0.00 3.26 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 44 K 7.88 4.02 0.00 2.00 1.86 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.56 7.81 45 K 8.36 3.97 0.00 1.81 1.77 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.65 7.81 46 A 8.14 3.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.19 3.80 0.00 3.29 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 48 A 8.31 4.15 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.76 4.35 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.04 4.10 0.00 2.89 2.84 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 51 Y 7.90 4.43 0.00 3.26 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 52 R 7.69 4.12 0.00 2.04 1.98 0.00 3.22 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 53 N 7.89 5.03 0.00 2.68 2.71 0.00 0.00 6.77 7.46 0.00 0.00 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 Y 7.73 4.27 0.00 2.71 2.86 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 55 D 7.78 4.51 0.00 2.65 2.32 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 56 S 8.00 3.77 0.00 4.14 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 0.00 57 M 8.00 4.28 0.00 2.09 2.25 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 2.68 2.51 0.00 58 K 7.91 3.92 0.00 2.00 1.84 0.00 1.59 0.00 0.00 1.51 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.41 7.81 59 D 8.05 4.45 0.00 2.91 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 60 F 8.77 4.38 0.00 3.10 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 61 E 8.41 3.54 0.00 2.32 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 62 E 7.91 3.91 0.00 2.13 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 0.00 2.32 2.56 0.00 63 M 7.97 4.11 0.00 1.79 2.41 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.48 0.00 64 R 7.98 4.08 0.00 1.22 1.70 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.94 0.00 65 K 8.12 4.02 0.00 1.70 1.82 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.57 7.81 66 A 7.62 4.35 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 67 G 8.04 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 68 I 7.60 3.80 1.60 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.36 0.74 0.00 0.00 69 F 7.70 4.75 0.00 3.32 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 70 Q 8.92 4.47 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 71 S 8.13 4.56 0.00 3.97 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 72 A 7.52 4.50 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 73 K 8.45 4.24 0.00 1.79 1.76 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.40 7.81