NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2157 8.1233 123.5819 47.7632 21.0639 178.9439 3 K 4.0005 8.1630 117.1991 55.9890 31.3360 173.3618 4 E 4.7526 7.8042 119.3713 55.5775 31.3975 174.2341 5 P 4.7068 0.0000 0.0000 63.1611 31.4000 175.7166 6 C 4.7362 7.8356 115.3593 59.7582 32.5218 174.5956 7 V 4.2044 7.5175 111.5375 58.9640 32.3659 174.7785 *9 S 4.5622 8.3556 119.4119 58.0702 65.0462 176.8656 10 L 4.0556 7.7458 120.4385 57.2872 41.1984 179.4155 11 V 3.6938 7.7495 118.3542 65.8697 31.4342 178.0942 12 S 4.3247 8.0952 113.5472 61.1480 63.0862 176.4094 13 Q 4.0644 7.8799 121.7346 59.2782 28.6970 178.1053 14 Y 4.2078 7.7571 119.9188 60.5822 38.5759 177.6509 15 F 4.3181 8.0121 121.1202 61.0218 39.5883 176.5384 16 Q 3.9910 7.8689 117.4191 58.2305 28.8667 178.2709 17 T 3.8626 7.6145 117.0792 66.4667 68.2489 177.0446 18 V 3.6077 7.0989 119.5079 64.5977 31.7024 178.4581 19 T 3.9262 7.3174 116.9548 66.7357 68.2052 176.5381 20 D 4.4061 7.9606 120.1828 57.0545 40.4429 177.8514 21 Y 4.2716 7.9891 120.4646 60.8867 38.7707 178.6816 22 G 3.0838 7.6770 105.4947 47.2000 0.0000 175.9121 23 K 3.8949 7.7458 120.3212 59.5757 32.0924 178.7818 24 D 4.4833 7.6923 119.1428 57.4723 40.8291 179.0554 25 L 4.0111 7.2745 119.0477 57.9989 41.3478 179.4101 26 M 4.0556 7.9788 118.6092 58.3846 31.5790 178.7116 27 E 4.0606 7.7590 117.7985 59.1929 29.6959 179.1443 28 K 4.1234 7.4148 116.2640 58.9395 32.1867 179.2418 29 V 3.7492 7.3799 117.5484 64.6408 32.7825 177.3557 30 K 4.3639 7.2177 119.2439 53.5181 28.6352 174.6144 31 S 4.6048 7.2045 117.4245 58.4891 68.3871 176.1648 32 P 4.1552 0.0000 0.0000 62.0560 31.5461 176.0344 *34 L 4.0229 8.0594 121.6995 55.0229 41.7247 175.4955 35 Q 4.5889 7.9028 124.5955 53.4789 32.4259 175.9096 36 A 4.0461 8.6789 125.2023 55.4307 18.8653 179.6323 37 E 4.7162 8.3759 110.9365 57.2633 29.7641 178.4087 38 A 4.1939 7.2409 122.4027 55.3136 18.3222 179.5086 39 K 4.2153 7.9411 115.8826 59.0731 32.4465 179.8417 40 S 4.4940 7.8485 115.6555 61.1907 62.9385 175.9820 41 Y 4.3615 7.9033 121.9728 60.1313 37.3748 177.4096 42 F 4.3552 8.0490 121.0801 60.9243 39.0479 176.8642 43 E 4.1070 7.9955 117.9289 58.9198 29.7320 178.8792 44 K 4.3885 8.1440 119.5746 58.7498 31.9063 179.5638 45 S 3.9833 7.7478 114.8190 61.1720 62.9645 176.6897 46 K 3.8794 7.2143 122.2349 58.8917 31.6716 179.0909 47 E 4.0288 8.0874 118.6540 58.4694 29.0986 178.2984 48 Q 4.3738 7.2741 115.2130 56.2917 29.7812 177.1858 49 L 4.0850 7.2854 121.5633 58.0930 42.3998 178.6480 50 T 4.0571 7.6978 115.4785 65.9594 68.4474 175.0955 51 P 4.3778 0.0000 0.0000 63.1411 31.3073 178.2051 52 L 3.9455 7.9683 121.9397 58.7827 42.2644 177.8973 53 I 4.1865 7.5263 111.3825 62.3053 38.5246 177.7483 54 K 4.0873 7.9078 120.3009 59.1952 32.0235 178.9440 55 K 4.0100 7.7746 119.2213 59.1665 32.2498 178.2071 56 A 4.6525 7.1604 119.7882 52.8513 18.3442 179.4898 57 G 3.5820 7.8676 105.0411 47.9792 0.0000 175.9227 58 T 4.1428 7.6498 114.2866 64.5037 67.1272 176.1513 59 E 4.5417 8.1764 120.1668 59.2048 29.6210 177.6794 60 L 4.3951 7.8125 118.9725 56.5818 41.7682 178.8854 61 V 3.5394 7.9760 119.2949 66.3808 32.1631 178.0020 62 N 4.2815 7.5136 115.6645 56.4107 38.3653 177.1972 63 F 4.9240 7.9602 116.9964 59.1578 39.2570 177.3280 64 L 4.1263 7.9330 121.0857 57.9059 41.8713 178.6908 65 S 4.0358 7.5901 112.4619 61.6155 62.1102 175.8206 66 Y 4.4828 7.6080 117.6400 60.8957 37.6794 177.8685 67 F 4.5230 7.9240 121.4663 61.3650 39.6155 177.1372 68 V 3.6886 7.5990 116.4870 64.4118 31.3823 175.9928 69 E 4.1178 7.8277 118.9299 56.1078 29.3733 175.8450 70 L 4.4371 8.1236 124.3344 53.8538 44.9774 174.8916 71 G 3.9317 8.3366 113.2731 44.7337 0.0000 171.5921 72 T 4.4502 7.9145 113.8800 59.9766 69.5487 173.0580 73 Q 4.2480 8.4721 120.8543 54.9400 28.6389 173.1528 74 P 4.5777 0.0000 0.0000 61.9899 33.9461 170.5080 75 A 3.5331 8.7399 128.9124 52.3457 17.6128 177.5172 76 T 4.4834 8.4032 112.0961 60.4724 70.3967 174.1102 77 Q 4.2150 8.5960 124.4838 55.9138 29.3620 175.7680 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 A 8.12 4.22 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 3 K 8.16 4.00 0.00 2.01 2.00 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.52 7.81 4 E 7.80 4.75 0.00 1.99 1.87 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 2.20 2.20 0.00 5 P 0.00 4.71 0.00 2.17 2.12 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 6 C 7.84 4.74 0.00 2.88 2.85 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 7 V 7.52 4.20 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 0.82 0.00 0.00 0.97 0.00 0.00 *9 S 8.36 4.56 0.00 4.04 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 10 L 7.75 4.06 0.00 1.72 1.77 0.97 0.87 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 11 V 7.75 3.69 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 1.09 0.00 0.00 0.94 0.00 0.00 12 S 8.10 4.32 0.00 4.19 4.17 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 0.00 0.00 0.00 0.00 13 Q 7.88 4.06 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.69 0.00 14 Y 7.76 4.21 0.00 3.20 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 15 F 8.01 4.32 0.00 3.07 3.29 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 16 Q 7.87 3.99 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.64 0.00 17 T 7.61 3.86 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 1.22 0.00 0.00 18 V 7.10 3.61 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.85 0.00 0.00 19 T 7.32 3.93 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 1.09 0.00 0.00 20 D 7.96 4.41 0.00 2.80 2.70 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 21 Y 7.99 4.27 0.00 3.02 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 22 G 7.68 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 0.00 0.00 0.00 23 K 7.75 3.89 0.00 1.92 1.82 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.68 7.81 24 D 7.69 4.48 0.00 2.56 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.27 4.01 0.00 1.56 1.56 0.45 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.98 4.06 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.52 0.00 27 E 7.76 4.06 0.00 2.04 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 2.31 2.52 0.00 28 K 7.41 4.12 0.00 1.88 1.84 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 29 V 7.38 3.75 2.19 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 0.80 0.00 0.00 0.93 0.00 0.00 30 K 7.22 4.36 0.00 1.92 1.74 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.62 7.81 31 S 7.20 4.60 0.00 3.90 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 32 P 0.00 4.16 0.00 2.05 2.01 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 *34 L 8.06 4.02 0.00 1.62 1.66 0.92 0.63 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 35 Q 7.90 4.59 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 36 A 8.68 4.05 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 E 8.38 4.72 0.00 2.11 2.21 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 2.36 2.18 0.00 38 A 7.24 4.19 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 39 K 7.94 4.22 0.00 1.87 1.95 0.00 1.70 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.51 7.81 40 S 7.85 4.49 0.00 4.14 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 0.00 41 Y 7.90 4.36 0.00 3.25 3.09 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 42 F 8.05 4.36 0.00 3.08 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 43 E 8.00 4.11 0.00 2.20 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 0.00 2.37 2.63 0.00 44 K 8.14 4.39 0.00 1.94 1.89 0.00 1.93 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.60 7.81 45 S 7.75 3.98 0.00 3.84 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.21 3.88 0.00 1.97 1.73 0.00 1.28 0.00 0.00 1.38 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.18 7.81 47 E 8.09 4.03 0.00 2.17 1.97 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 2.28 2.54 0.00 48 Q 7.27 4.37 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 49 L 7.29 4.08 0.00 1.70 1.81 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.70 4.06 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 1.19 0.00 0.00 51 P 0.00 4.38 0.00 2.21 2.25 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.03 0.00 52 L 7.97 3.95 0.00 1.84 1.71 0.91 1.05 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 53 I 7.53 4.19 1.87 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 1.63 0.71 0.90 0.00 0.00 54 K 7.91 4.09 0.00 1.96 1.89 0.00 1.55 0.00 0.00 2.04 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.54 7.81 55 K 7.77 4.01 0.00 2.06 1.86 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 56 A 7.16 4.65 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 57 G 7.87 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.65 4.14 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 1.33 0.00 0.00 59 E 8.18 4.54 0.00 2.32 2.07 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 2.54 2.50 0.00 60 L 7.81 4.40 0.00 1.86 1.64 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.98 3.54 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 0.79 0.00 0.00 0.93 0.00 0.00 62 N 7.51 4.28 0.00 2.59 2.47 0.00 0.00 7.15 8.01 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 63 F 7.96 4.92 0.00 3.45 3.17 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 0.00 0.00 0.00 0.00 64 L 7.93 4.13 0.00 2.15 1.88 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.59 4.04 0.00 3.85 3.46 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 66 Y 7.61 4.48 0.00 3.34 3.07 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 67 F 7.92 4.52 0.00 2.99 3.42 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 68 V 7.60 3.69 2.19 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 0.85 0.00 0.00 1.04 0.00 0.00 69 E 7.83 4.12 0.00 2.25 1.95 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 2.35 2.46 0.00 70 L 8.12 4.44 0.00 1.46 1.42 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.34 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.91 4.45 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 1.21 0.00 0.00 73 Q 8.47 4.25 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 74 P 0.00 4.58 0.00 2.19 2.13 0.00 3.90 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 1.91 1.94 0.00 75 A 8.74 3.53 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 76 T 8.40 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 1.21 0.00 0.00 77 Q 8.60 4.21 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.