NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0628 8.0501 120.3943 62.4305 33.1133 175.0819 2 A 4.4646 7.7363 120.2355 51.7124 22.9065 176.8978 3 P 4.2877 0.0000 0.0000 66.0851 32.4295 177.5134 4 T 4.1115 7.8725 113.2924 65.6014 68.2928 176.3475 5 L 3.9738 7.5330 123.4953 58.4702 42.2927 179.0143 6 T 4.0533 7.8994 108.7171 64.1430 68.8182 176.2384 7 A 4.0646 7.6356 123.1391 55.3187 18.4587 179.7858 8 R 3.9630 8.3454 116.8358 59.2885 30.1140 179.1854 9 L 4.1315 7.9033 118.4528 58.0580 41.7052 179.0412 10 Y 4.3246 8.3016 119.2208 60.9049 38.5989 177.9138 11 S 3.9932 8.3367 114.9619 61.9012 63.1452 176.6089 12 L 4.2325 8.2846 119.8318 56.6385 41.5650 177.9627 13 L 4.5839 7.8784 115.0536 54.3468 44.3153 177.3452 14 F 4.6871 8.0550 115.1967 58.5296 39.6682 176.7768 15 R 3.5557 7.1777 120.6264 59.3369 30.2860 176.7535 16 R 4.2145 7.4924 116.6676 56.1135 31.1321 177.9649 17 T 4.2127 8.3806 117.2926 66.4432 68.5124 176.6809 18 S 4.1781 8.1811 118.0103 61.4416 62.7030 176.1104 19 T 3.7802 7.7925 111.3686 65.0944 68.7138 175.6875 20 F 4.0863 7.9912 123.3863 60.9070 39.2628 177.2188 21 A 3.7626 8.1565 119.7854 55.0917 18.2067 179.0061 22 L 3.8173 7.9413 118.9561 58.8945 42.0596 179.2484 23 T 3.7528 8.6377 114.0753 65.0084 67.1700 176.1587 24 I 3.9369 7.4565 114.6624 63.4473 37.4796 178.4180 25 V 3.5736 7.8550 120.5704 65.7601 30.8909 178.1902 26 V 3.8093 8.2389 118.6149 65.8567 31.2323 178.2445 27 G 3.7440 8.6032 105.6231 47.2878 0.0000 175.6603 28 A 4.1239 8.2005 123.5668 54.7407 17.8748 179.3753 29 L 3.8319 7.8148 118.9760 58.3794 42.1588 179.2228 30 F 4.0379 8.0035 116.4162 60.5814 38.9847 177.2686 31 F 4.1259 8.1776 120.3586 61.4026 39.0202 176.6312 32 E 3.9182 8.3770 118.7158 59.3416 29.4543 178.8462 33 R 3.7977 7.6660 117.5053 59.4586 30.2132 178.2591 34 A 3.9738 8.1832 120.7917 55.1445 18.2813 179.4413 35 F 3.8774 8.3389 119.4491 61.3641 39.3514 176.9230 36 D 4.1935 8.2411 118.6418 57.4556 40.5718 178.6695 37 Q 4.1235 8.1546 118.1972 59.1699 28.8511 179.3312 38 G 3.5665 7.9523 106.3100 47.7985 0.0000 175.2897 39 A 3.9439 7.8078 122.6477 54.1804 18.6251 179.4168 40 D 4.2830 8.3380 117.8890 57.6623 40.9834 178.8489 41 A 4.4971 8.1855 122.7114 54.6768 18.1548 179.7486 42 I 3.8389 7.3421 117.9445 64.5271 36.9862 177.9006 43 Y 4.1354 8.0177 119.7729 60.1584 38.5657 177.1541 44 E 4.2472 8.7480 120.9129 59.6492 29.6484 178.4755 45 H 4.1430 8.0782 114.6219 59.0515 28.7784 176.8253 46 I 3.9868 7.3862 116.1811 62.2467 39.3549 175.2798 47 N 4.5683 7.9183 114.3944 53.1191 38.3501 175.1912 48 E 2.6336 9.5918 122.1555 56.8135 26.8072 175.6172 49 G 3.7489 7.7153 108.8980 47.0572 0.0000 175.1884 50 K 4.3704 8.0496 120.3307 56.3591 33.6218 177.7854 51 L 3.9229 7.9989 122.7784 56.4798 41.1454 178.3572 52 W 4.2830 10.8995 124.1216 59.4651 29.5899 179.4907 53 K 4.3135 8.3899 125.2985 59.9738 31.1669 183.5575 *54 H 4.3540 8.4555 120.3468 61.3678 27.4435 182.0834 55 I 4.0466 7.9303 120.9804 64.6713 35.1713 178.7351 56 K 4.1050 8.4442 118.3942 57.8131 31.3533 178.2645 57 H 4.1272 8.7030 123.3598 60.2353 30.0838 177.8766 58 K 4.2759 7.6256 119.5471 55.4952 32.5897 178.7428 59 Y 3.5632 8.8257 117.7402 60.9026 38.7414 171.5119 60 E 4.5319 9.2987 120.7378 57.4015 29.5480 177.0400 61 N 4.5790 7.7822 121.8733 52.4011 37.9560 177.5353 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 V 8.05 4.06 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 0.98 0.00 0.00 0.94 0.00 0.00 2 A 7.74 4.46 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 P 0.00 4.29 0.00 2.17 2.10 0.00 3.61 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 2.11 2.17 0.00 4 T 7.87 4.11 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 1.23 0.00 0.00 5 L 7.53 3.97 0.00 1.70 1.82 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.90 4.05 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 7 A 7.64 4.06 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.35 3.96 0.00 2.07 2.04 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 9 L 7.90 4.13 0.00 2.11 2.32 1.07 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.30 4.32 0.00 3.12 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 11 S 8.34 3.99 0.00 4.06 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 12 L 8.28 4.23 0.00 1.62 1.70 0.92 0.97 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 7.88 4.58 0.00 1.41 1.25 0.78 0.79 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 F 8.06 4.69 0.00 3.08 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 15 R 7.18 3.56 0.00 1.39 1.73 0.00 3.06 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 16 R 7.49 4.21 0.00 1.90 1.81 0.00 3.14 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 17 T 8.38 4.21 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 1.32 0.00 0.00 18 S 8.18 4.18 0.00 3.86 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 19 T 7.79 3.78 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 20 F 7.99 4.09 0.00 3.24 3.26 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 0.00 21 A 8.16 3.76 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 22 L 7.94 3.82 0.00 1.74 1.80 0.91 0.58 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 23 T 8.64 3.75 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 0.97 0.00 0.00 24 I 7.46 3.94 1.68 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 0.47 0.00 0.00 25 V 7.85 3.57 2.05 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 0.97 0.00 0.00 0.95 0.00 0.00 26 V 8.24 3.81 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 1.09 0.00 0.00 1.00 0.00 0.00 27 G 8.60 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.20 4.12 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 29 L 7.81 3.83 0.00 1.69 1.85 0.81 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.00 4.04 0.00 3.28 3.14 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 0.00 31 F 8.18 4.13 0.00 3.25 3.21 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 0.00 32 E 8.38 3.92 0.00 2.29 2.13 0.00 0.00 0.00 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 2.38 0.00 33 R 7.67 3.80 0.00 1.89 2.03 0.00 3.11 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 34 A 8.18 3.97 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 35 F 8.34 3.88 0.00 2.10 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 0.00 36 D 8.24 4.19 0.00 2.96 2.64 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 37 Q 8.15 4.12 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 38 G 7.95 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.81 3.94 0.69 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 0.00 0.00 0.00 40 D 8.34 4.28 0.00 2.78 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 41 A 8.19 4.50 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 42 I 7.34 3.84 2.00 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 1.68 0.91 0.95 0.00 0.00 43 Y 8.02 4.14 0.00 3.01 3.22 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 0.00 44 E 8.75 4.25 0.00 2.32 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 0.00 3.01 2.45 0.00 45 H 8.08 4.14 0.00 3.39 3.34 0.00 5.73 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.39 3.99 1.85 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 1.24 0.71 0.86 0.00 0.00 47 N 7.92 4.57 0.00 2.51 1.84 0.00 0.00 7.28 8.74 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 48 E 9.59 2.63 0.00 1.40 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 1.47 1.62 0.00 49 G 7.72 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.05 4.37 0.00 1.92 1.90 0.00 1.84 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.54 7.81 51 L 8.00 3.92 0.00 1.71 1.67 0.95 0.94 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 52 W 10.90 4.28 0.00 3.20 3.30 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 53 K 8.39 4.31 0.00 1.76 1.82 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.07 7.81 *54 H 8.46 4.35 0.00 2.90 3.14 0.00 7.18 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.93 4.05 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.09 0.91 0.00 0.00 56 K 8.44 4.11 0.00 1.71 1.54 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.38 7.81 57 H 8.70 4.13 0.00 3.15 3.41 0.00 5.90 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 58 K 7.63 4.28 0.00 1.73 1.75 0.00 1.92 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.25 7.81 59 Y 8.83 3.56 0.00 3.23 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 60 E 9.30 4.53 0.00 1.96 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 2.49 2.69 0.00 61 N 7.78 4.58 0.00 2.76 2.56 0.00 0.00 6.71 6.88 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 * Residues marked with a * may have inaccurate shift predictions.