NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4823 8.1593 117.3251 62.9589 70.3443 173.0514 2 P 4.5245 0.0000 0.0000 61.3150 33.7336 173.3464 3 D 4.5427 8.7245 121.0908 55.2613 41.1223 177.4069 4 C 4.5977 9.2212 124.7509 58.0079 42.1025 173.8265 5 V 4.7016 7.3354 110.5924 59.8606 36.0645 173.8296 6 T 4.9847 9.1182 119.1780 60.8403 71.8323 173.9411 7 G 3.9536 7.9640 111.8840 46.2062 0.0000 171.5781 8 K 4.8425 8.2002 118.7577 55.0407 33.2133 177.8632 9 V 3.6540 8.2122 122.7300 62.7642 31.6200 175.5340 10 E 4.2850 9.2690 130.4678 59.2599 30.0897 176.1648 11 Y 5.0087 7.0735 114.7005 56.4015 40.9651 173.2312 12 T 5.1479 8.6829 109.7825 59.8616 72.4045 172.9398 13 K 4.4328 8.2895 123.7134 54.8583 35.6740 174.3123 14 Y 4.6647 8.6337 129.0284 56.4139 38.9415 174.8023 15 N 4.6254 7.9656 124.9459 52.4219 39.8458 175.3541 16 D 4.5098 8.6448 119.9454 57.6124 41.4221 177.6419 17 D 4.4215 7.9709 115.7357 53.4207 39.1109 175.4513 18 D 3.8054 7.6377 116.9090 56.0591 38.9906 173.7364 19 T 4.4238 7.2388 109.9037 60.3052 72.3307 172.5971 20 F 4.8721 8.7990 122.5587 57.2479 42.7972 173.7369 21 T 5.2580 8.6956 123.3625 62.2044 71.0059 174.1296 22 V 4.7730 9.4191 123.8909 59.8118 35.6933 174.3463 23 K 4.4710 8.3593 123.7989 54.7016 33.7135 174.7632 24 V 4.4164 7.8608 127.4537 61.3763 34.9409 175.1767 25 G 3.9122 9.1397 117.2237 46.8949 0.0000 175.0896 26 D 4.8335 9.0124 123.3065 52.2709 41.0367 175.7588 27 K 4.3887 7.5754 119.7658 55.5228 34.3282 175.4649 28 E 4.7602 8.7039 124.2490 54.7520 31.6216 174.5220 29 L 5.5408 8.6599 126.7331 52.9022 46.0973 175.3640 30 F 5.7028 9.5393 114.4035 55.7999 41.9893 173.3600 31 T 4.3720 8.6507 113.0574 59.9886 70.9402 173.6227 32 N 4.7005 8.3446 120.2478 52.3576 38.3865 174.7209 33 R 4.3493 7.7496 119.7919 55.0047 29.6864 176.8231 34 W 4.2108 9.2841 124.7043 60.0184 28.1451 178.6796 35 N 4.3733 8.5337 115.0585 56.4674 38.2466 176.9553 36 L 3.9341 7.8210 116.8967 56.9992 41.4088 179.1108 37 Q 2.8886 7.6660 118.9247 58.8418 28.6312 178.8918 38 S 4.1089 7.7415 114.4990 61.4012 63.3920 176.2003 39 L 3.8869 7.3568 120.9111 57.5510 41.2958 179.3532 40 L 4.3869 8.0241 118.8876 57.3415 41.7421 179.0616 41 L 4.1915 7.8676 120.2265 58.1128 41.9602 179.2101 42 S 4.0953 8.2634 114.9840 61.4372 62.7847 176.3205 43 A 4.0634 7.8218 122.9552 55.4092 17.9475 179.4453 44 Q 3.9589 8.7750 118.1795 59.4641 28.9245 178.5271 45 I 3.8436 8.1279 120.3348 64.3836 37.3042 177.8741 46 T 4.3073 8.0724 107.9670 61.7016 69.1125 175.2019 47 G 3.8621 7.6604 108.4609 46.5321 0.0000 173.7419 48 M 4.3694 7.9507 118.7501 55.2824 33.7131 175.6969 49 T 4.4001 8.1431 117.6387 62.9121 70.2911 174.4492 50 V 4.8119 8.7374 118.9521 59.7680 36.0044 174.6003 51 T 4.8443 8.2355 119.8932 61.9910 70.8464 173.3002 52 I 4.3654 8.6090 128.1288 59.4147 39.4629 174.5265 53 K 4.8610 8.1730 128.2691 55.2164 33.4332 175.0809 54 T 4.2794 8.1464 119.4219 62.0071 70.3686 172.6874 55 N 4.5217 8.9835 123.0375 55.4963 40.0016 176.8029 56 A 4.3234 7.6524 122.3667 52.0779 17.8259 178.8250 57 C 4.8245 7.7593 120.6985 56.2689 41.0957 172.0828 58 H 5.0621 7.1909 115.8516 53.5032 31.7819 173.0164 59 N 4.4530 8.7901 118.0150 55.6611 38.6377 175.4132 60 G 4.0452 9.4594 112.3779 44.9400 0.0000 174.1189 61 G 4.1860 8.3120 107.8585 45.9771 0.0000 173.2697 62 G 4.0729 8.6409 108.9549 44.5968 0.0000 172.4800 63 F 5.2302 8.0368 115.5963 55.8360 41.1246 174.6660 64 S 4.2846 8.7357 109.0066 58.1162 66.3640 173.4034 65 E 4.7271 8.3427 122.0884 54.7198 31.6037 174.9562 66 V 4.7262 8.3508 123.8488 61.0375 34.9072 174.3005 67 I 4.2854 8.3383 128.1427 59.8196 39.3418 174.8349 68 F 4.6405 8.8653 126.0731 56.1185 39.7161 176.0303 69 R 4.3171 8.5509 122.1858 56.1101 30.2077 176.5914 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 T 8.16 4.48 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 1.22 0.00 0.00 2 P 0.00 4.52 0.00 2.18 2.16 0.00 3.69 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 2.03 2.06 0.00 3 D 8.72 4.54 0.00 2.54 2.62 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 4 C 9.22 4.60 0.00 2.90 3.16 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 5 V 7.34 4.70 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 0.63 0.00 0.00 0.77 0.00 0.00 6 T 9.12 4.98 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 1.22 0.00 0.00 7 G 7.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 4.84 0.00 1.65 1.75 0.00 1.81 0.00 0.00 2.30 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.27 7.81 9 V 8.21 3.65 2.12 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 0.77 0.00 0.00 0.96 0.00 0.00 10 E 9.27 4.29 0.00 1.93 1.85 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 2.41 2.28 0.00 11 Y 7.07 5.01 0.00 3.03 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 12 T 8.68 5.15 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 1.42 0.00 0.00 13 K 8.29 4.43 0.00 1.86 1.60 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.32 7.81 14 Y 8.63 4.66 0.00 3.13 2.88 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 0.00 0.00 0.00 15 N 7.97 4.63 0.00 2.55 2.63 0.00 0.00 6.98 7.91 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 16 D 8.64 4.51 0.00 2.77 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.97 4.42 0.00 2.82 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 18 D 7.64 3.81 0.00 2.92 2.31 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 19 T 7.24 4.42 4.63 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 20 F 8.80 4.87 0.00 2.94 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 21 T 8.70 5.26 4.22 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 1.32 0.00 0.00 22 V 9.42 4.77 2.25 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 0.68 0.00 0.00 0.94 0.00 0.00 23 K 8.36 4.47 0.00 0.79 0.74 0.00 1.47 0.00 0.00 1.44 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.99 1.16 7.81 24 V 7.86 4.42 1.92 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 0.87 0.00 0.00 0.77 0.00 0.00 25 G 9.14 3.91 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 0.00 0.00 0.00 26 D 9.01 4.83 0.00 2.72 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.58 4.39 0.00 1.65 1.72 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.48 7.81 28 E 8.70 4.76 0.00 2.02 1.83 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 2.31 2.29 0.00 29 L 8.66 5.54 0.00 1.55 1.82 0.64 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.54 5.70 0.00 3.22 3.10 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 31 T 8.65 4.37 2.69 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 0.00 0.00 1.13 0.00 0.00 32 N 8.34 4.70 0.00 2.87 2.84 0.00 0.00 6.07 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.75 4.35 0.00 1.81 1.93 0.00 3.31 0.00 0.00 3.10 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.63 0.00 34 W 9.28 4.21 0.00 3.36 3.39 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 0.00 35 N 8.53 4.37 0.00 2.79 2.90 0.00 0.00 7.15 6.74 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 36 L 7.82 3.93 0.00 1.82 1.74 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.67 2.89 0.00 2.08 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 38 S 7.74 4.11 0.00 4.01 4.09 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 39 L 7.36 3.89 0.00 1.91 1.57 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.02 4.39 0.00 1.94 2.00 1.35 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.87 4.19 0.00 1.87 1.72 1.10 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.26 4.10 0.00 4.05 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 43 A 7.82 4.06 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.78 3.96 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 45 I 8.13 3.84 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.76 0.93 0.00 0.00 46 T 8.07 4.31 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 1.27 0.00 0.00 47 G 7.66 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 48 M 7.95 4.37 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 49 T 8.14 4.40 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 1.19 0.00 0.00 50 V 8.74 4.81 1.80 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 0.74 0.00 0.00 0.88 0.00 0.00 51 T 8.24 4.84 4.14 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 1.14 0.00 0.00 52 I 8.61 4.37 1.53 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.43 0.25 0.00 0.00 53 K 8.17 4.86 0.00 1.82 1.68 0.00 1.83 0.00 0.00 1.59 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.55 7.81 54 T 8.15 4.28 4.30 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 1.18 0.00 0.00 55 N 8.98 4.52 0.00 2.76 2.86 0.00 0.00 6.93 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 56 A 7.65 4.32 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 57 C 7.76 4.82 0.00 2.93 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 58 H 7.19 5.06 0.00 3.36 3.35 0.00 5.73 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.79 4.45 0.00 2.75 2.87 0.00 0.00 7.25 7.65 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 60 G 9.46 4.05 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 0.00 0.00 0.00 61 G 8.31 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 0.00 0.00 0.00 0.00 62 G 8.64 4.07 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 0.00 0.00 0.00 63 F 8.04 5.23 0.00 2.95 2.87 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 64 S 8.74 4.28 0.00 3.85 3.77 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 65 E 8.34 4.73 0.00 1.94 1.89 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 2.30 2.28 0.00 66 V 8.35 4.73 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 0.33 0.00 0.00 1.14 0.00 0.00 67 I 8.34 4.29 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 0.90 0.00 0.00 68 F 8.87 4.64 0.00 2.96 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 69 R 8.55 4.32 0.00 1.90 1.83 0.00 3.32 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00