NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.7598 8.4244 118.2236 52.4534 38.8200 173.9783 8 Y 4.3446 8.7757 119.5857 60.0993 39.0886 175.1628 9 P 4.0777 0.0000 0.0000 65.6097 32.6898 178.2688 10 A 4.0572 8.5940 118.0146 53.3635 18.3122 178.6365 *12 L 4.2196 7.9497 122.0343 56.1613 44.0848 178.9403 13 A 3.9621 8.7550 120.8288 55.5662 18.0657 179.2489 14 H 4.0353 8.2024 113.0729 58.8122 28.7934 177.5165 15 A 4.1823 8.1272 120.9210 55.3954 18.4778 178.9259 16 A 4.1425 8.0192 119.0102 55.2121 18.0179 179.6818 17 E 3.9586 8.3373 114.1758 57.6805 29.4814 178.1432 *19 N 4.7173 8.1335 116.8474 53.2401 41.0106 176.7855 20 T 3.7578 7.7065 115.2050 67.0056 68.3757 176.1058 21 Y 4.0902 7.4607 118.1632 60.6591 37.7528 178.1202 22 S 4.2512 8.3680 116.0394 61.8052 63.0388 176.9579 23 G 3.5855 7.9795 107.5796 47.5150 0.0000 175.6032 24 A 3.9822 8.0543 123.1447 55.0060 18.6242 179.4386 25 L 3.9048 8.4974 117.8315 58.3996 41.6532 179.3056 26 H 4.0509 8.0861 117.3065 59.1615 29.8030 176.7534 27 A 4.0170 8.0821 122.4579 55.6345 18.1981 179.9198 28 V 3.7209 7.9401 116.4685 65.8432 31.5790 178.5275 29 G 3.8604 8.2005 105.1922 47.7784 0.0000 175.5693 30 A 4.1158 8.4218 123.8932 54.9748 18.4195 179.1888 31 D 4.3349 8.3898 116.7186 57.5020 41.1657 178.6829 32 I 3.7050 8.3893 120.5594 64.1993 37.2346 177.8057 33 A 4.1749 8.8303 121.8902 55.5107 18.1248 179.4228 34 A 3.9940 8.4235 119.0275 55.5896 18.6271 179.7484 35 E 3.8951 8.3439 117.0029 59.5757 29.2743 179.4162 36 Q 3.8990 8.2190 119.1458 59.1630 29.3592 177.5615 37 H 4.2166 8.2867 119.0005 59.3042 29.7982 177.0525 38 A 4.0312 8.0300 121.2093 54.4205 18.4079 178.4844 39 L 4.5236 7.4032 115.8017 54.6342 42.5659 178.4641 40 A 3.4831 7.6921 124.5883 55.1772 17.9175 180.7231 41 S 4.0036 7.8099 109.8153 60.8036 63.2429 174.8369 42 A 4.2227 7.6324 121.7835 52.2302 18.7113 176.6917 43 W 4.4058 7.8670 127.1251 55.8560 31.6027 175.1625 44 Q 4.8662 7.9967 122.2255 54.1633 31.4559 176.3884 45 G 3.9628 8.4601 109.8271 45.2603 0.0000 174.2471 46 D 4.2839 7.4870 121.5813 56.7405 40.8767 179.1173 47 T 3.9791 7.7353 117.1598 66.4620 69.1148 174.0604 48 G 3.7998 7.0986 109.8173 45.9987 0.0000 173.4132 *50 T 4.3357 7.6558 113.8523 61.8355 71.6638 174.5967 51 Y 2.4753 7.7990 120.0248 59.5964 37.8954 178.2313 52 Q 3.5931 6.8087 119.0246 58.5856 28.8147 178.1660 53 A 3.9530 7.6641 121.6609 55.1855 18.2637 179.5738 54 W 3.9458 8.0861 126.5225 60.4677 30.8298 177.7580 55 Q 4.2189 8.5928 119.8079 59.4426 28.4676 178.5123 56 A 3.9806 8.1150 121.4751 55.3813 18.4640 179.6969 57 Q 3.8610 8.2195 116.7439 58.4991 28.4911 178.6504 58 W 3.7319 8.0617 129.1116 60.3528 30.7184 177.4628 59 N 4.2661 7.8580 114.7283 56.3020 38.1991 176.6260 60 Q 4.0478 7.8544 120.6150 59.0597 29.0967 179.0242 61 A 4.2397 7.8585 124.1661 52.7793 18.8046 180.0157 *63 E 4.2146 8.1926 119.0182 57.2757 32.3168 180.5465 64 E 4.0357 7.7187 118.5817 58.6983 29.5564 179.1190 65 L 3.8598 7.5395 121.6153 58.1339 42.1744 179.0532 66 V 3.6608 7.6563 117.7037 66.1428 31.5106 178.0394 67 R 3.9470 8.2856 117.7016 58.8630 29.6240 178.7800 68 A 3.9551 7.9618 120.0522 55.4955 18.5147 178.8032 69 Y 3.9545 7.8886 116.5194 60.8810 39.1330 178.0099 70 R 4.1803 8.6434 119.2576 58.7708 30.0740 179.1725 71 A 4.0610 7.7991 117.6420 52.7749 18.1435 178.9033 *73 A 4.1950 7.9592 125.3629 54.1066 20.7329 180.3909 74 T 3.8900 8.3864 112.8236 67.1711 68.5350 177.2069 75 T 3.7764 7.9072 117.6336 66.8743 68.4277 176.1562 76 H 4.1589 8.2767 122.0457 59.7864 29.7686 177.6672 77 E 4.0466 8.2986 121.5541 62.0602 29.7440 181.4065 78 Q 4.3553 8.8152 121.7370 59.5913 28.1433 179.7623 79 N 4.6928 7.8893 116.9183 57.0159 39.1713 178.8392 80 T 3.9896 7.5012 115.3485 63.2945 69.0885 174.3754 *82 A 4.0654 7.9775 121.5064 52.0717 20.0957 179.7101 *84 S 4.2382 8.2172 115.6391 59.7506 64.6971 174.9827 85 A 3.9914 7.8631 124.5218 54.7244 18.5825 177.8818 86 R 4.1095 7.3277 117.4083 56.5077 29.3921 181.4586 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 7 N 8.42 4.76 0.00 2.89 2.95 0.00 0.00 5.99 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 8 Y 8.78 4.34 0.00 2.87 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 9 P 0.00 4.08 0.00 2.19 2.00 0.00 3.92 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 10 A 8.59 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 *12 L 7.95 4.22 0.00 1.59 1.46 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.75 3.96 1.39 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 0.00 0.00 14 H 8.20 4.04 0.00 3.14 3.34 0.00 5.87 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.13 4.18 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.02 4.14 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 17 E 8.34 3.96 0.00 2.12 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 0.00 2.55 2.44 0.00 *19 N 8.13 4.72 0.00 2.99 2.92 0.00 0.00 7.03 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 20 T 7.71 3.76 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 0.77 0.00 0.00 21 Y 7.46 4.09 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.37 4.25 0.00 4.09 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 23 G 7.98 3.59 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 0.00 24 A 8.05 3.98 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 L 8.50 3.90 0.00 1.61 1.70 0.57 1.15 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 26 H 8.09 4.05 0.00 3.20 3.47 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.08 4.02 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 28 V 7.94 3.72 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 1.16 0.00 0.00 1.02 0.00 0.00 29 G 8.20 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 30 A 8.42 4.12 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 31 D 8.39 4.33 0.00 2.95 2.91 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 32 I 8.39 3.70 2.37 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.74 0.33 0.00 0.00 33 A 8.83 4.17 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.42 3.99 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 35 E 8.34 3.90 0.00 2.11 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 2.42 2.46 0.00 36 Q 8.22 3.90 0.00 1.93 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.95 0.00 0.00 0.00 0.00 0.00 2.18 1.58 0.00 37 H 8.29 4.22 0.00 3.31 3.49 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.03 4.03 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 39 L 7.40 4.52 0.00 1.75 1.61 0.86 0.77 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 40 A 7.69 3.48 0.41 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 41 S 7.81 4.00 0.00 3.94 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 42 A 7.63 4.22 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 43 W 7.87 4.41 0.00 3.36 3.03 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 44 Q 8.00 4.87 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.32 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 45 G 8.46 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.49 4.28 0.00 2.71 2.53 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 47 T 7.74 3.98 4.32 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 1.26 0.00 0.00 48 G 7.10 3.80 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 0.00 0.00 0.00 *50 T 7.66 4.34 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 1.24 0.00 0.00 51 Y 7.80 2.48 0.00 2.06 2.09 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 52 Q 6.81 3.59 0.00 1.81 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.12 1.70 0.00 53 A 7.66 3.95 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 54 W 8.09 3.95 0.00 3.54 2.97 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 55 Q 8.59 4.22 0.00 2.57 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 56 A 8.11 3.98 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 57 Q 8.22 3.86 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 58 W 8.06 3.73 0.00 1.78 2.83 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 59 N 7.86 4.27 0.00 2.71 2.82 0.00 0.00 7.05 6.98 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 60 Q 7.85 4.05 0.00 2.33 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.17 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 61 A 7.86 4.24 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 4.21 0.00 1.93 2.01 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 2.21 1.88 0.00 64 E 7.72 4.04 0.00 2.09 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 2.26 2.24 0.00 65 L 7.54 3.86 0.00 1.73 1.57 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.66 3.66 2.08 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 1.13 0.00 0.00 0.92 0.00 0.00 67 R 8.29 3.95 0.00 1.97 1.96 0.00 3.17 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 68 A 7.96 3.96 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 69 Y 7.89 3.95 0.00 3.10 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.64 4.18 0.00 1.98 1.99 0.00 3.21 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 71 A 7.80 4.06 1.39 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 0.00 0.00 *73 A 7.96 4.20 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.39 3.89 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 1.21 0.00 0.00 75 T 7.91 3.78 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 76 H 8.28 4.16 0.00 3.22 3.46 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.30 4.05 0.00 2.10 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 2.26 2.20 0.00 78 Q 8.82 4.36 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 79 N 7.89 4.69 0.00 2.80 3.00 0.00 0.00 7.22 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.50 3.99 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 1.40 0.00 0.00 *82 A 7.98 4.07 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 *84 S 8.22 4.24 0.00 3.41 3.08 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 85 A 7.86 3.99 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 86 R 7.33 4.11 0.00 1.90 1.71 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 * Residues marked with a * may have inaccurate shift predictions.