NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9415 8.3393 109.7378 45.3413 0.0000 174.5322 3 K 3.9334 8.3785 118.2743 55.2744 34.3904 171.8427 4 V 4.5046 8.6108 120.7330 61.4576 35.6917 174.8619 5 Y 5.0140 8.8404 124.1523 56.0636 40.9752 174.7128 6 K 4.4872 8.3802 123.1886 54.4636 35.1955 174.7728 7 K 5.0918 8.4961 125.0125 54.6868 34.5677 175.8253 8 V 4.5288 8.7763 117.4600 59.4809 35.3914 174.3909 9 E 4.8686 8.8216 125.1897 55.1950 30.3118 174.9475 10 L 4.8883 9.0418 127.3210 52.8662 45.6863 175.9008 11 V 4.7158 8.3032 120.1556 61.2809 33.6359 174.9322 12 G 4.5740 9.0405 116.1151 44.6974 0.0000 172.1595 13 T 5.3906 8.1494 112.4753 60.0802 72.1273 173.0520 14 S 4.6735 8.6124 115.4183 57.8151 65.9550 175.3899 15 E 4.4186 9.0612 124.5286 57.2066 30.0014 177.3751 16 E 4.2240 8.5071 119.9768 56.7384 30.4295 175.7978 17 G 3.3999 7.1872 104.7722 44.3213 0.0000 173.2567 18 L 3.7753 7.3461 118.1243 57.8618 41.4771 179.4785 19 E 3.9056 8.0367 117.7827 59.3912 29.3256 179.2004 20 A 3.9254 7.8708 120.0732 54.8652 18.6303 179.3399 21 A 3.9137 7.8911 119.2033 55.4169 18.5501 179.8711 22 I 3.5260 7.7428 118.2432 64.7215 37.1806 178.7826 23 Q 3.8978 8.2389 118.6729 58.6172 28.4619 178.5792 24 A 3.9260 8.2779 121.9944 55.1007 18.4469 179.5098 25 A 3.8821 7.8382 118.6471 55.4175 18.5523 179.7704 26 L 3.8855 7.8065 117.1858 57.5678 41.4135 179.3876 27 A 3.9528 8.2182 120.3947 55.3082 18.4691 179.4074 28 R 3.9203 7.9540 116.8036 59.4798 30.0938 178.5475 29 A 3.9157 8.0643 120.6471 55.1372 18.1309 179.5937 30 R 3.7990 7.8817 116.1793 59.2021 30.1394 178.6123 31 K 4.1338 7.7238 118.1938 58.5317 32.0687 177.7152 32 T 4.4415 7.7573 106.4274 60.9175 70.8700 173.8121 33 L 4.4485 7.8781 121.7984 52.7064 43.6855 175.8964 34 R 4.4756 7.9387 120.4709 55.6485 32.7653 175.0062 35 H 4.1813 8.4662 113.5545 56.8958 26.0395 175.0891 36 L 4.5232 8.1159 119.0056 55.3085 42.1859 175.6692 37 D 5.1496 9.1956 122.5912 55.4011 43.1167 176.2659 38 F 5.2631 7.5001 111.4240 55.3141 41.6998 172.7029 39 F 5.6229 8.4347 113.4377 55.4445 41.5298 173.7368 40 E 4.7109 9.4093 118.6469 54.6725 33.5274 175.0504 41 V 4.2192 8.7323 125.0738 63.1208 31.7753 175.4205 42 K 4.5680 9.3686 127.8843 58.1610 33.4949 176.4967 43 E 4.7894 7.8729 115.1079 55.3451 33.0168 174.1354 44 I 4.9330 8.3549 121.2790 59.9359 39.5982 174.9664 45 R 4.7400 9.4394 125.9112 54.4099 34.8890 174.0876 46 G 4.2061 7.7444 106.6110 47.0589 0.0000 172.1190 47 T 4.8279 7.8593 109.5516 59.7954 71.8994 173.2892 48 I 4.7533 8.2915 123.0875 59.8197 39.6945 175.2998 49 G 4.3038 8.9924 115.8969 43.8067 0.0000 172.5794 50 E 3.9353 8.8584 118.3604 58.1067 29.7919 177.9481 51 A 4.6974 8.1270 120.1102 51.9581 20.5569 176.3076 52 G 4.0030 7.5351 106.6346 45.1634 0.0000 176.0687 53 V 3.7240 8.1583 124.6074 63.0402 32.1109 174.9834 54 K 4.2475 9.0681 129.2478 58.0588 33.5692 175.6696 55 E 4.7080 7.5737 119.3579 54.5757 33.2167 173.4952 56 Y 4.6809 9.0584 125.1936 57.6612 39.9245 174.5941 57 Q 4.7750 9.4401 122.4961 54.3016 32.5132 174.5691 58 V 4.6893 8.8081 125.9494 61.0366 33.6462 174.7924 59 V 4.4145 8.6245 129.6838 62.4557 32.5701 174.7550 60 L 5.3442 9.3752 127.8759 53.0426 45.5974 175.2517 61 E 5.0879 9.3033 122.5276 54.9799 31.8818 175.1264 62 V 4.6799 8.8982 124.1456 61.0621 34.4546 174.1803 63 G 3.6723 8.4891 116.0155 44.2179 0.0000 172.3608 64 F 5.6051 8.7016 119.2383 54.7298 41.8207 173.9048 65 R 3.9314 8.7758 122.1386 56.1032 30.6044 175.8171 66 L 4.4661 8.3991 127.8982 54.2035 42.1680 177.1786 67 E 4.1497 8.8067 122.4843 56.4132 30.8439 175.1724 68 E 3.5291 8.5401 118.4822 58.3362 27.5138 174.6054 *69 T 4.1630 7.9989 114.0890 60.6331 69.2274 176.0705 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 G 8.34 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 0.00 0.00 0.00 3 K 8.38 3.93 0.00 1.69 1.73 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.62 7.81 4 V 8.61 4.50 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 1.08 0.00 0.00 0.95 0.00 0.00 5 Y 8.84 5.01 0.00 2.86 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 6 K 8.38 4.49 0.00 1.45 0.74 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.06 1.21 7.81 7 K 8.50 5.09 0.00 1.66 1.70 0.00 1.95 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.46 7.81 8 V 8.78 4.53 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 0.89 0.00 0.00 1.13 0.00 0.00 9 E 8.82 4.87 0.00 2.00 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 2.25 2.36 0.00 10 L 9.04 4.89 0.00 1.58 1.51 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.30 4.72 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 0.87 0.00 0.00 0.94 0.00 0.00 12 G 9.04 4.57 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 13 T 8.15 5.39 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 1.27 0.00 0.00 14 S 8.61 4.67 0.00 3.92 3.90 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 15 E 9.06 4.42 0.00 2.03 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 2.56 2.27 0.00 16 E 8.51 4.22 0.00 1.94 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 2.27 2.26 0.00 17 G 7.19 3.40 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 0.00 18 L 7.35 3.78 0.00 1.56 1.64 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.04 3.91 0.00 1.99 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 0.00 2.38 2.42 0.00 20 A 7.87 3.93 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 21 A 7.89 3.91 1.48 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 0.00 0.00 22 I 7.74 3.53 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.96 0.35 0.00 0.00 23 Q 8.24 3.90 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 24 A 8.28 3.93 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 25 A 7.84 3.88 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 26 L 7.81 3.89 0.00 1.62 1.65 0.64 0.63 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 A 8.22 3.95 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 28 R 7.95 3.92 0.00 1.93 2.07 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 29 A 8.06 3.92 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 30 R 7.88 3.80 0.00 1.95 2.07 0.00 3.24 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 31 K 7.72 4.13 0.00 1.81 1.82 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.60 7.81 32 T 7.76 4.44 4.16 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 0.00 0.00 1.17 0.00 0.00 33 L 7.88 4.45 0.00 1.43 0.94 0.46 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.94 4.48 0.00 1.62 1.47 0.00 3.25 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 35 H 8.47 4.18 0.00 3.62 3.46 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.12 4.52 0.00 1.66 1.66 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.20 5.15 0.00 2.84 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 38 F 7.50 5.26 0.00 2.92 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 39 F 8.43 5.62 0.00 3.10 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 40 E 9.41 4.71 0.00 1.97 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 2.24 2.39 0.00 41 V 8.73 4.22 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 0.83 0.00 0.00 1.11 0.00 0.00 42 K 9.37 4.57 0.00 1.66 1.87 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.56 7.81 43 E 7.87 4.79 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 2.29 2.36 0.00 44 I 8.35 4.93 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 1.01 0.00 0.00 45 R 9.44 4.74 0.00 1.68 1.81 0.00 3.57 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 46 G 7.74 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 0.00 0.00 0.00 0.00 47 T 7.86 4.83 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 48 I 8.29 4.75 1.84 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 1.23 0.61 0.88 0.00 0.00 49 G 8.99 4.30 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 0.00 50 E 8.86 3.94 0.00 1.93 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 2.28 2.30 0.00 51 A 8.13 4.70 1.24 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 0.00 0.00 0.00 52 G 7.54 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.72 1.77 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 -0.39 0.00 0.00 0.68 0.00 0.00 54 K 9.07 4.25 0.00 1.86 1.82 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.34 7.81 55 E 7.57 4.71 0.00 2.11 1.66 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 0.00 2.20 2.28 0.00 56 Y 9.06 4.68 0.00 3.10 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 57 Q 9.44 4.77 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.81 4.69 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 0.95 0.00 0.00 0.96 0.00 0.00 59 V 8.62 4.41 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 0.93 0.00 0.00 1.01 0.00 0.00 60 L 9.38 5.34 0.00 1.56 1.56 0.71 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.30 5.09 0.00 1.97 1.93 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 2.30 2.28 0.00 62 V 8.90 4.68 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 1.07 0.00 0.00 0.96 0.00 0.00 63 G 8.49 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.70 5.61 0.00 3.27 3.06 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 0.00 0.00 0.00 0.00 65 R 8.78 3.93 0.00 2.00 1.84 0.00 3.06 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.00 66 L 8.40 4.47 0.00 1.54 1.58 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.81 4.15 0.00 2.08 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 2.32 2.32 0.00 68 E 8.54 3.53 0.00 2.13 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 2.16 2.28 0.00 *69 T 8.00 4.16 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 * Residues marked with a * may have inaccurate shift predictions.