NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5371 0.0000 0.0000 62.4116 33.5942 174.8174 2 I 4.4637 8.5738 121.8348 60.8130 37.6921 172.7479 3 E 4.8607 9.3646 124.9787 54.5613 34.6171 174.2710 4 V 4.8696 8.4299 121.6958 61.3241 33.7938 175.1799 5 N 4.8721 8.9795 126.4147 51.6137 39.7315 175.4532 6 D 4.6237 8.6647 116.9813 55.9888 40.8957 177.2865 7 D 4.4778 8.9087 119.1722 55.3286 41.1740 176.3109 8 C 3.8759 7.5511 119.5809 60.5911 31.6274 173.1069 9 M 4.1880 8.6751 124.5117 53.9742 32.0741 172.9038 10 A 3.4053 7.7733 127.0689 52.2479 16.8846 177.2518 *12 E 4.1986 8.4789 120.3408 56.5246 31.4764 178.2248 13 A 4.0083 8.0411 123.9779 55.3847 18.4162 180.0325 14 C 3.8261 7.9131 112.5450 61.5827 29.1298 176.2832 15 V 3.7296 7.6013 119.2808 65.7215 31.2604 177.4623 16 E 4.1378 7.6813 116.6233 59.3832 29.4099 178.9812 17 I 4.0802 7.5822 118.8565 63.2128 38.9603 176.0409 18 C 5.0212 8.3405 118.9818 54.2137 43.6389 172.3848 19 P 4.3181 0.0000 0.0000 65.1250 31.5595 178.3109 20 D 4.5018 8.0599 117.5642 55.8410 41.2887 176.7234 21 V 4.0973 7.9383 118.1844 62.5497 34.3197 175.2878 22 F 5.5312 8.0890 117.6364 55.4503 41.9148 174.3266 23 E 4.8910 9.3361 119.9763 54.9003 33.4189 174.4371 24 M 4.5607 8.5733 120.0865 54.4665 33.4346 175.9252 25 N 4.6030 8.8725 120.5222 52.4315 38.2687 174.8727 26 E 4.0806 8.8133 119.5138 59.3592 29.8755 177.7031 27 E 4.0033 8.1520 117.1311 57.7105 29.6024 177.5121 28 G 3.8717 9.0378 106.1305 46.5381 0.0000 173.3347 29 D 4.8913 8.2780 115.2214 52.0627 40.7179 174.8813 30 K 4.6632 7.6626 119.9652 55.3619 35.6074 174.7168 31 A 4.7889 8.6227 128.0588 51.7042 19.8132 176.6882 32 V 4.4271 9.5750 120.3220 61.0347 34.9704 174.9073 33 V 4.2716 8.3300 127.0711 61.8316 31.2378 175.6168 34 I 3.8600 8.4972 130.8270 63.7600 37.9007 176.1835 35 N 4.6645 7.7430 120.0824 51.2719 39.8258 172.4654 36 P 4.3313 0.0000 0.0000 64.3758 31.9579 177.5880 37 D 4.8473 7.6547 118.3079 53.8827 40.9737 176.3901 38 S 4.1486 7.5178 114.6681 58.9400 62.6325 173.8158 39 D 4.8370 8.3879 124.6156 53.7454 41.8224 176.7389 40 L 4.1208 7.5804 120.4269 55.0912 42.1458 178.2594 41 D 4.4867 8.6882 121.8580 57.1493 40.7502 177.7293 42 C 4.4470 8.1975 114.1718 57.5475 42.9197 175.8909 43 V 3.7385 7.6374 121.5943 66.3289 31.1717 177.6938 44 E 4.0048 7.9669 118.2562 59.3038 29.2278 179.0104 45 E 3.9142 8.1224 118.7644 59.1701 29.5760 178.5198 46 A 3.9156 8.0630 119.9532 55.1451 18.5822 179.3343 47 I 3.7541 7.9081 118.2813 64.7919 37.0113 178.5299 48 D 4.4050 7.9511 118.2330 56.8345 40.7226 178.0757 49 S 4.5543 7.8092 113.2855 57.7924 63.6841 173.5945 50 C 4.3038 7.2703 124.1780 57.8781 31.6854 172.5820 51 P 4.2487 0.0000 0.0000 65.0942 31.1646 177.2698 52 A 4.1967 7.9178 118.9150 52.0444 19.1240 176.5355 53 E 3.7416 7.5879 113.6511 57.3301 27.6808 175.5480 54 A 4.4079 7.8570 120.1720 53.6881 20.2418 178.0592 55 I 4.7310 7.5914 116.5592 60.4049 38.4818 175.6766 56 V 4.6045 8.8397 119.2058 59.8504 36.8917 174.5180 57 R 4.9006 8.5696 120.0785 54.9004 31.7666 176.6449 58 S 4.4642 8.9518 120.2436 58.5125 62.6570 174.5599 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 P 0.00 4.54 0.00 2.13 2.46 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 2 I 8.57 4.46 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 1.14 0.00 0.00 3 E 9.36 4.86 0.00 1.91 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 2.24 0.00 4 V 8.43 4.87 2.14 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 0.84 0.00 0.00 1.10 0.00 0.00 5 N 8.98 4.87 0.00 2.87 2.97 0.00 0.00 6.57 8.07 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 6 D 8.66 4.62 0.00 2.69 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.91 4.48 0.00 2.81 2.71 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 8 C 7.55 3.88 0.00 2.93 2.87 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 0.00 0.00 0.00 9 M 8.68 4.19 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 10 A 7.77 3.41 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 *12 E 8.48 4.20 0.00 2.06 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 2.29 2.36 0.00 13 A 8.04 4.01 1.26 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 0.00 0.00 14 C 7.91 3.83 0.00 1.96 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.60 3.73 2.23 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 0.93 0.00 0.00 1.00 0.00 0.00 16 E 7.68 4.14 0.00 2.18 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 2.50 0.00 17 I 7.58 4.08 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.50 0.99 0.00 0.00 18 C 8.34 5.02 0.00 3.07 3.27 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 0.00 19 P 0.00 4.32 0.00 2.24 2.32 0.00 3.86 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 20 D 8.06 4.50 0.00 2.68 2.74 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 21 V 7.94 4.10 1.74 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 0.14 0.00 0.00 0.81 0.00 0.00 22 F 8.09 5.53 0.00 2.95 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 23 E 9.34 4.89 0.00 2.00 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 2.20 2.29 0.00 24 M 8.57 4.56 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 25 N 8.87 4.60 0.00 2.71 2.87 0.00 0.00 6.87 7.21 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 26 E 8.81 4.08 0.00 1.95 2.03 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 2.30 2.34 0.00 27 E 8.15 4.00 0.00 2.00 2.11 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 2.32 2.26 0.00 28 G 9.04 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.28 4.89 0.00 2.74 2.71 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 30 K 7.66 4.66 0.00 1.82 1.64 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.45 7.81 31 A 8.62 4.79 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 32 V 9.58 4.43 2.23 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 1.03 0.00 0.00 0.98 0.00 0.00 33 V 8.33 4.27 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 0.71 0.00 0.00 1.09 0.00 0.00 34 I 8.50 3.86 1.76 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.61 0.86 0.00 0.00 35 N 7.74 4.66 0.00 2.66 2.54 0.00 0.00 7.00 7.71 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 36 P 0.00 4.33 0.00 2.23 2.39 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 37 D 7.65 4.85 0.00 2.61 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 38 S 7.52 4.15 0.00 3.79 3.69 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 39 D 8.39 4.84 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.58 4.12 0.00 1.75 1.61 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.69 4.49 0.00 2.70 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 42 C 8.20 4.45 0.00 3.29 3.38 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 43 V 7.64 3.74 2.27 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 1.13 0.00 0.00 0.94 0.00 0.00 44 E 7.97 4.00 0.00 2.05 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 2.34 0.00 45 E 8.12 3.91 0.00 2.05 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 0.00 2.38 2.38 0.00 46 A 8.06 3.92 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 47 I 7.91 3.75 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.91 0.00 0.00 48 D 7.95 4.41 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.81 4.55 0.00 3.82 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 50 C 7.27 4.30 0.00 2.87 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 51 P 0.00 4.25 0.00 2.06 2.08 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 52 A 7.92 4.20 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 53 E 7.59 3.74 0.00 2.13 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 2.24 2.22 0.00 54 A 7.86 4.41 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 0.00 0.00 0.00 0.00 0.00 55 I 7.59 4.73 1.82 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.49 1.05 0.00 0.00 56 V 8.84 4.60 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 0.83 0.00 0.00 1.01 0.00 0.00 57 R 8.57 4.90 0.00 1.67 1.86 0.00 3.21 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 58 S 8.95 4.46 0.00 3.73 3.77 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.