NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4361 8.3349 116.7969 58.3083 63.9016 174.3366 2 R 4.0394 8.2601 125.9803 54.7806 27.9975 169.0295 3 V 4.4403 7.8028 119.6948 60.8702 35.5282 173.8573 4 C 4.4351 8.9708 128.7398 59.3327 31.6852 174.3947 5 Q 4.1774 8.5764 126.6218 57.9413 28.5777 177.5197 6 V 4.1537 7.7889 116.1671 62.1785 32.9074 176.5811 7 T 4.2723 7.9668 107.9041 60.7105 69.8142 175.2099 8 G 4.0284 8.0357 110.7947 45.5284 0.0000 173.7106 9 K 3.9760 7.4161 118.4818 55.7427 31.7771 175.3641 10 R 5.3155 8.0720 119.2480 52.1766 32.8252 173.2541 11 P 4.6823 0.0000 0.0000 63.1556 32.5723 175.4521 12 V 4.8054 8.8973 114.0752 60.1799 36.6028 174.3491 13 T 5.1094 8.5204 110.4258 60.7827 71.5543 173.9887 14 G 4.3034 8.4240 109.3453 46.1962 0.0000 170.8385 15 N 5.3987 8.8609 117.4720 52.0209 41.1879 174.1911 16 N 4.6267 8.3153 115.5681 52.8614 40.9034 175.6006 17 R 3.5647 8.5333 111.4814 55.6422 27.3644 175.8687 18 S 4.5661 8.0857 117.8698 57.5809 65.0285 174.5574 19 H 4.0696 8.9740 116.2599 59.3331 28.3270 177.0063 20 A 4.0592 7.9579 119.7422 53.1224 18.2543 176.8506 21 L 3.6686 7.7979 114.6783 55.7783 39.0395 174.4320 22 N 4.7860 8.1727 116.8978 51.9749 39.6574 175.1407 23 A 4.3799 8.6290 127.0763 52.1609 19.2985 176.7892 24 T 4.4401 8.4218 111.8020 59.6009 71.6413 173.3131 25 K 4.2906 8.8188 125.9344 57.6148 32.8372 176.6253 26 R 4.5339 8.9034 119.0143 55.4638 32.8402 173.4077 27 R 4.8886 8.2727 116.1788 54.8889 33.6620 175.0637 28 F 5.0569 8.8372 121.3257 55.9081 41.6956 174.7318 29 L 5.1406 8.2950 120.8763 53.6347 43.7085 173.8890 30 P 4.4954 0.0000 0.0000 62.7350 32.3985 176.8175 31 N 4.7024 8.2740 120.1252 52.7723 37.5007 174.0946 32 L 5.0056 7.7396 123.2951 54.6117 43.3742 175.2070 33 H 4.5568 9.4314 115.2880 55.4116 35.7130 174.5792 34 S 4.2910 8.4999 108.5000 58.1849 60.9312 170.4001 35 H 4.7072 8.0994 125.4861 54.5755 33.0919 172.8448 36 R 4.3841 7.6615 123.7226 55.1200 30.2252 175.1552 37 F 5.0109 8.9153 126.1367 55.9687 41.0542 175.4451 38 W 5.2749 9.2070 132.4446 57.4569 31.3506 175.7221 39 V 3.8809 6.4393 116.6332 61.4259 32.8296 177.3023 40 E 3.7527 6.1371 124.6099 57.5158 29.4694 175.7198 41 S 4.2296 7.5742 110.1262 60.1229 62.5418 173.7987 42 E 4.4752 7.3378 115.1533 55.2824 32.0167 175.5662 43 K 3.1625 6.9445 114.6909 55.5045 29.2375 173.2173 44 R 4.1531 5.8400 119.3496 55.9473 33.9629 173.1510 45 F 5.8155 8.7199 121.8945 55.1075 39.0640 174.6378 46 V 3.8858 8.2979 116.5096 61.4829 32.9151 174.8142 47 T 5.3032 8.6257 120.5908 59.5593 67.9040 173.1074 48 L 4.5119 8.5528 127.6804 53.8701 44.3110 176.1662 49 R 4.8007 8.6017 122.3769 55.5589 30.6548 175.0337 50 V 4.9252 8.4193 126.0933 60.8724 35.5465 174.0854 51 S 5.2285 8.4823 118.9750 56.8070 65.0075 173.4777 52 A 4.1695 8.1511 124.1084 53.7747 18.7848 176.8225 53 K 4.3774 9.2484 125.6237 57.1512 31.8502 178.8252 54 G 3.7042 7.8032 104.2781 48.2792 0.0000 174.7954 55 M 4.0998 8.5126 121.6072 58.6787 31.8659 179.0494 56 R 3.8985 8.0732 116.8522 59.1308 30.4977 179.0938 57 V 3.7043 8.2172 118.5083 65.9264 31.6609 177.6921 58 I 3.5169 7.6378 119.5801 64.8650 36.8185 177.9538 59 D 4.4492 8.0309 117.7337 57.1275 40.6445 177.2608 60 K 4.2957 8.1292 118.2715 57.9969 33.3999 177.7137 61 K 3.9955 7.7713 120.1019 57.0027 32.7196 178.3487 62 G 3.9392 8.0145 106.7553 45.6392 0.0000 174.3366 63 I 3.4580 8.5001 124.2031 64.5909 37.0352 178.3784 64 D 4.3887 8.0223 118.8939 57.3716 40.5577 178.8037 65 T 3.9546 7.9880 116.6031 66.0018 68.4755 177.2779 66 V 3.4406 7.4550 118.5425 66.0969 31.5273 177.8063 67 L 3.6350 8.3134 118.4371 57.0661 41.1792 179.3778 68 A 3.9606 7.4604 120.9456 54.9429 18.3359 177.7116 69 E 4.4195 7.6811 114.7597 57.3549 31.8374 174.7974 70 L 3.8436 8.5505 120.2070 55.9496 40.7586 176.8436 71 R 4.0520 7.9727 116.7417 59.8938 30.1519 178.7207 72 A 4.2763 8.0858 117.7352 53.4589 18.5765 177.8039 73 R 4.3119 7.3648 113.9461 55.8776 31.3233 176.0799 74 G 3.9798 8.9861 108.9481 46.0585 0.0000 174.4202 75 E 4.0719 8.1641 118.4365 56.0357 29.6205 176.0427 76 K 3.9512 8.0900 119.8460 54.2928 33.2170 176.6997 77 Y 4.0423 8.1178 122.5580 56.6860 39.1873 170.5684 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 S 8.33 4.44 0.00 3.89 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 2 R 8.26 4.04 0.00 1.96 1.90 0.00 3.10 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 3 V 7.80 4.44 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 0.85 0.00 0.00 0.94 0.00 0.00 4 C 8.97 4.44 0.00 3.07 2.82 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 0.00 0.00 0.00 0.00 5 Q 8.58 4.18 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 6 V 7.79 4.15 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 0.77 0.00 0.00 0.88 0.00 0.00 7 T 7.97 4.27 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 8 G 8.04 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.42 3.98 0.00 1.89 1.80 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.44 7.81 10 R 8.07 5.32 0.00 1.77 1.87 0.00 2.66 0.00 0.00 3.90 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 11 P 0.00 4.68 0.00 1.99 2.16 0.00 3.64 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 12 V 8.90 4.81 2.16 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 0.75 0.00 0.00 1.10 0.00 0.00 13 T 8.52 5.11 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 1.23 0.00 0.00 14 G 8.42 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 0.00 0.00 0.00 0.00 15 N 8.86 5.40 0.00 2.63 2.77 0.00 0.00 6.64 8.00 0.00 0.00 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 N 8.32 4.63 0.00 2.48 2.82 0.00 0.00 7.26 7.54 0.00 0.00 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 R 8.53 3.56 0.00 1.90 1.94 0.00 3.44 0.00 0.00 3.96 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 18 S 8.09 4.57 0.00 4.02 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 19 H 8.97 4.07 0.00 3.11 3.42 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.96 4.06 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.80 3.67 0.00 1.83 1.83 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.17 4.79 0.00 2.67 2.76 0.00 0.00 6.96 7.39 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 23 A 8.63 4.38 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 24 T 8.42 4.44 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 1.20 0.00 0.00 25 K 8.82 4.29 0.00 1.64 1.80 0.00 1.75 0.00 0.00 2.02 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.42 7.81 26 R 8.90 4.53 0.00 1.67 1.89 0.00 2.21 0.00 0.00 2.75 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 27 R 8.27 4.89 0.00 1.59 1.78 0.00 3.15 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 28 F 8.84 5.06 0.00 3.04 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 29 L 8.30 5.14 0.00 1.62 1.63 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.50 0.00 2.08 2.04 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 31 N 8.27 4.70 0.00 2.80 2.74 0.00 0.00 6.92 6.66 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 32 L 7.74 5.01 0.00 1.51 1.61 0.96 1.14 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 33 H 9.43 4.56 0.00 3.12 3.27 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.50 4.29 0.00 4.10 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.10 4.71 0.00 2.99 2.51 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.66 4.38 0.00 1.55 1.36 0.00 3.02 0.00 0.00 3.06 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.54 0.00 37 F 8.92 5.01 0.00 3.27 2.98 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 38 W 9.21 5.27 0.00 3.81 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 39 V 6.44 3.88 1.84 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 0.65 0.00 0.00 0.42 0.00 0.00 40 E 6.14 3.75 0.00 2.42 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 2.32 2.43 0.00 41 S 7.57 4.23 0.00 3.89 3.85 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 42 E 7.34 4.48 0.00 1.78 1.77 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 2.17 2.26 0.00 43 K 6.94 3.16 0.00 1.73 1.79 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.59 7.81 44 R 5.84 4.15 0.00 1.72 1.53 0.00 3.15 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 45 F 8.72 5.82 0.00 3.09 2.98 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 46 V 8.30 3.89 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.09 0.00 0.00 47 T 8.63 5.30 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 1.28 0.00 0.00 48 L 8.55 4.51 0.00 1.99 1.71 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.60 4.80 0.00 1.93 1.89 0.00 3.14 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 50 V 8.42 4.93 2.30 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 1.11 0.00 0.00 1.11 0.00 0.00 51 S 8.48 5.23 0.00 3.96 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 52 A 8.15 4.17 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 53 K 9.25 4.38 0.00 1.93 2.07 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.35 7.81 54 G 7.80 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 M 8.51 4.10 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.83 0.00 56 R 8.07 3.90 0.00 1.88 2.02 0.00 3.21 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 57 V 8.22 3.70 2.26 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 0.85 0.00 0.00 0.96 0.00 0.00 58 I 7.64 3.52 1.86 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.18 0.66 0.00 0.00 59 D 8.03 4.45 0.00 2.78 2.78 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 60 K 8.13 4.30 0.00 1.66 1.82 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.44 7.81 61 K 7.77 4.00 0.00 1.71 1.82 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.49 7.81 62 G 8.01 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 63 I 8.50 3.46 1.77 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.65 0.67 0.00 0.00 64 D 8.02 4.39 0.00 2.63 2.67 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 65 T 7.99 3.95 4.21 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 1.17 0.00 0.00 66 V 7.46 3.44 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 0.73 0.00 0.00 0.87 0.00 0.00 67 L 8.31 3.63 0.00 1.41 0.94 0.71 0.40 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 68 A 7.46 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.68 4.42 0.00 2.06 1.91 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 2.31 2.51 0.00 70 L 8.55 3.84 0.00 1.82 1.77 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.97 4.05 0.00 2.14 2.22 0.00 3.23 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 72 A 8.09 4.28 1.31 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 73 R 7.36 4.31 0.00 1.86 2.12 0.00 3.34 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 74 G 8.99 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 75 E 8.16 4.07 0.00 2.03 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 0.00 2.35 2.36 0.00 76 K 8.09 3.95 0.00 1.86 1.76 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.49 7.81 77 Y 8.12 4.04 0.00 3.22 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