NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2815 8.4444 121.4723 55.6979 30.4963 178.7523 2 Q 4.1840 9.2584 113.2534 54.5677 30.0481 172.9037 3 T 4.6283 10.2174 114.3936 62.1999 72.7756 172.4253 4 H 5.4349 8.1433 117.1584 54.0800 34.3423 172.1317 5 R 4.9836 8.9653 118.6151 54.5877 33.2686 174.0448 6 A 4.5986 8.9840 129.2216 52.0857 19.1470 177.5362 7 I 4.1991 8.5471 114.5898 60.5452 39.0504 175.5709 8 F 5.2568 7.6372 120.0570 55.4652 42.9849 174.3588 9 R 4.3683 8.8642 122.2073 56.5148 30.9142 175.4929 10 F 4.9857 9.4138 128.3109 56.6740 42.3489 173.5215 11 V 4.2798 8.0196 127.0648 60.3275 32.2327 173.8923 12 P 4.2198 0.0000 0.0000 63.0967 31.6592 176.4611 13 R 4.5007 9.4764 118.6751 55.7777 32.3584 175.3847 14 H 5.0179 7.9380 114.6060 53.3267 32.4086 173.7904 15 E 3.9212 9.1029 123.5002 59.5247 29.4603 177.7054 16 D 4.6810 8.0007 115.2911 53.7406 40.1172 175.6336 17 E 5.0231 7.9002 119.5163 56.4833 30.6367 175.7356 18 L 4.7552 8.9540 125.1139 53.3047 43.4339 175.8596 19 E 4.4490 8.9589 127.8382 56.3800 30.5489 175.7036 20 L 4.9831 9.2769 125.5060 53.0195 46.1678 175.2698 21 E 4.9991 9.0480 121.1147 53.9932 33.2466 175.9215 22 V 3.6341 8.4021 122.2965 64.9483 31.8638 175.6083 23 D 4.6537 8.9438 125.1211 54.2083 40.6147 173.4712 24 D 4.5382 7.8534 118.8060 54.0135 41.7473 174.0366 25 P 4.7090 0.0000 0.0000 62.4768 32.2931 175.7675 26 L 5.0000 9.1235 123.3170 52.9539 46.3438 175.5240 27 L 4.9523 8.7957 124.3668 53.1929 43.3675 174.4816 28 V 4.2562 8.8948 126.0302 62.7657 31.5205 175.1163 29 E 4.4596 9.2970 127.9255 57.6427 30.9466 176.3548 30 L 4.6688 7.6371 119.2222 53.4789 46.1816 175.5209 31 Q 4.4312 8.4802 122.7587 53.0835 29.3094 175.1360 32 A 4.1819 8.4698 125.4310 51.8657 19.1639 178.6134 33 E 4.0547 8.5996 116.5287 57.6116 29.9685 177.0885 34 D 4.9211 7.9975 118.4449 53.2943 39.8554 175.6971 35 Y 3.4737 7.6548 115.9109 59.3592 35.8825 168.5498 36 W 4.7635 8.0570 118.1632 55.0649 32.4874 174.4752 37 Y 5.2298 8.1010 121.1120 56.4501 40.3652 174.3750 38 E 5.0851 9.1467 122.6702 54.9655 32.0139 175.2119 39 A 5.0364 9.3222 125.4611 51.3687 23.6928 173.4448 40 Y 5.2011 8.8454 119.4091 56.3181 41.4583 175.4581 41 N 4.4437 8.5997 126.2821 52.8536 41.4512 174.7322 *43 R 4.2015 8.6036 117.6196 56.6468 31.5243 177.0992 44 T 3.9915 7.8235 105.8000 62.2716 69.2075 175.9377 45 G 3.7468 8.4306 109.3788 44.1935 0.0000 173.1071 46 A 4.5211 7.4455 121.3928 51.5797 20.1925 176.7843 47 R 5.1599 8.5386 117.0144 54.3596 34.1204 175.7329 48 G 4.0827 8.1588 107.5465 46.9644 0.0000 171.8661 49 V 5.7998 8.3978 112.8337 59.5102 34.6873 175.3246 50 F 5.1237 8.0613 115.7561 54.8893 41.5524 171.8226 51 P 3.2555 0.0000 0.0000 62.0166 31.6256 177.2857 52 A 2.5800 8.0258 126.5621 55.3060 18.1256 178.6835 53 Y 4.4173 7.7007 109.5045 59.4444 38.1510 175.6668 54 Y 4.3151 8.5189 117.8697 58.2960 38.2478 174.3987 55 A 5.2581 7.7199 119.7250 50.4144 22.8600 175.6476 56 I 4.6485 8.5570 112.2144 58.9254 41.0314 174.3704 57 E 4.3315 8.7112 124.5406 55.7798 30.6442 176.5650 58 V 4.0776 8.4151 119.0574 61.4651 31.6322 175.6051 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 E 8.44 4.28 0.00 1.96 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 2.23 2.34 0.00 2 Q 9.26 4.18 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.70 0.00 3 T 10.22 4.63 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 1.27 0.00 0.00 4 H 8.14 5.43 0.00 3.18 3.38 0.00 5.76 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.97 4.98 0.00 1.85 1.69 0.00 3.32 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 6 A 8.98 4.60 1.13 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 0.00 0.00 0.00 0.00 0.00 7 I 8.55 4.20 1.31 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 0.75 0.00 0.00 8 F 7.64 5.26 0.00 2.23 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.86 4.37 0.00 1.90 1.95 0.00 3.57 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 10 F 9.41 4.99 0.00 3.20 2.93 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 11 V 8.02 4.28 1.96 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 0.76 0.00 0.00 0.90 0.00 0.00 12 P 0.00 4.22 0.00 2.00 1.94 0.00 3.54 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 13 R 9.48 4.50 0.00 1.52 1.65 0.00 3.08 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 14 H 7.94 5.02 0.00 3.24 3.14 0.00 5.84 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.10 3.92 0.00 1.93 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 2.31 2.27 0.00 16 D 8.00 4.68 0.00 2.85 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 17 E 7.90 5.02 0.00 2.17 2.38 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 2.79 2.44 0.00 18 L 8.95 4.76 0.00 1.89 1.89 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.96 4.45 0.00 2.03 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 2.30 2.55 0.00 20 L 9.28 4.98 0.00 1.74 1.50 0.35 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.05 5.00 0.00 2.22 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 22 V 8.40 3.63 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 0.75 0.00 0.00 0.97 0.00 0.00 23 D 8.94 4.65 0.00 2.82 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 24 D 7.85 4.54 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.71 0.00 1.94 1.99 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 26 L 9.12 5.00 0.00 1.62 1.60 0.70 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.80 4.95 0.00 1.91 1.81 1.07 0.70 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 28 V 8.89 4.26 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 0.41 0.00 0.00 0.81 0.00 0.00 29 E 9.30 4.46 0.00 1.86 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 2.29 2.29 0.00 30 L 7.64 4.67 0.00 1.68 1.42 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.48 4.43 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.88 0.00 32 A 8.47 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 33 E 8.60 4.05 0.00 2.02 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 0.00 2.26 2.33 0.00 34 D 8.00 4.92 0.00 3.04 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.65 3.47 0.00 3.11 3.01 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 0.00 0.00 0.00 36 W 8.06 4.76 0.00 3.30 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 37 Y 8.10 5.23 0.00 1.58 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.15 5.09 0.00 1.88 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 2.27 2.27 0.00 39 A 9.32 5.04 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.85 5.20 0.00 3.09 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 41 N 8.60 4.44 0.00 2.68 2.50 0.00 0.00 6.40 7.57 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 *43 R 8.60 4.20 0.00 1.79 2.10 0.00 3.27 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 44 T 7.82 3.99 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 1.18 0.00 0.00 45 G 8.43 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 46 A 7.45 4.52 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 47 R 8.54 5.16 0.00 1.77 1.90 0.00 3.39 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 48 G 8.16 4.08 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 49 V 8.40 5.80 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 0.81 0.00 0.00 0.93 0.00 0.00 50 F 8.06 5.12 0.00 2.45 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 51 P 0.00 3.26 0.00 1.64 1.36 0.00 2.20 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.73 0.00 52 A 8.03 2.58 0.43 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 53 Y 7.70 4.42 0.00 3.08 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 54 Y 8.52 4.32 0.00 3.25 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 55 A 7.72 5.26 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 56 I 8.56 4.65 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.68 0.86 0.00 0.00 57 E 8.71 4.33 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.95 0.00 58 V 8.42 4.08 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 0.68 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.