NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 A 4.3149 8.2649 123.5814 51.6546 20.7650 177.1082 14 R 3.9613 7.8354 115.5344 54.4882 30.7119 174.0553 15 P 4.2933 0.0000 0.0000 62.6936 32.8956 175.0661 16 L 4.4169 8.1695 123.2215 52.8081 43.0009 174.5992 17 P 4.2783 0.0000 0.0000 63.6331 31.6569 175.9634 18 Q 4.5955 8.6633 118.7516 55.3116 30.2949 175.4719 19 D 5.0808 7.6171 118.6206 51.0560 43.1220 176.4319 20 F 3.9945 8.7979 123.4224 61.8483 39.3970 177.4606 21 E 3.9532 8.3252 117.3268 59.8823 29.3888 179.4445 22 T 3.8731 8.1559 115.4231 66.3706 68.3512 176.7776 23 A 3.8898 7.8105 122.7736 54.8285 18.3178 179.4608 24 L 3.5798 7.7025 118.8207 58.1256 42.1626 178.9500 25 A 4.0990 7.7955 120.7122 55.3020 18.2107 179.2816 26 E 3.8685 8.1500 117.7829 59.1605 29.6087 178.6975 27 L 3.8819 8.1876 120.8815 58.0244 42.0842 178.8273 28 E 3.9230 8.4652 118.9009 59.6424 29.3728 179.5484 29 S 4.1183 8.1061 115.0996 61.2864 62.6040 176.5448 30 L 3.8986 7.8935 122.3553 58.1743 41.9982 178.8165 31 V 3.7281 7.7257 116.9082 66.0765 31.5414 177.4193 32 S 4.5310 8.2108 112.6213 60.5429 62.4233 177.2554 33 A 4.2434 8.0628 123.5912 51.4477 19.0743 177.2468 *35 E 3.9837 8.1887 115.5958 57.4527 31.0928 175.3656 *39 L 4.1629 7.6271 116.7687 54.7788 43.3265 176.3182 40 P 4.4697 0.0000 0.0000 62.1347 33.3022 177.6837 41 L 3.9179 8.2919 120.8208 58.5402 42.1797 178.9238 42 E 4.0308 8.1162 118.6268 59.0680 29.5666 178.6312 43 Q 4.0281 7.9956 118.0250 58.8219 28.9024 178.4240 44 S 4.1396 8.3091 116.5093 61.6727 62.8490 176.7975 45 L 4.1128 8.5995 121.9572 57.9117 41.3675 179.5985 46 S 4.1209 8.2190 114.9035 61.7598 62.7942 176.7812 47 A 4.0427 8.2993 123.3944 54.9612 18.1683 178.9747 48 Y 3.9992 8.5282 118.5526 60.9633 38.9277 178.4905 49 R 3.7088 8.2439 119.0349 59.3403 30.1635 178.9975 50 R 3.9352 8.0312 118.3802 59.2811 29.9996 178.7390 51 G 3.4697 8.3132 105.8023 47.6938 0.0000 175.5637 52 V 3.3863 7.7457 121.3653 65.8194 31.4583 177.8454 53 E 3.9268 8.0679 117.9693 59.4429 29.1827 179.5023 54 L 3.9123 8.1050 118.7893 57.7102 41.7225 179.3000 55 A 3.9270 8.0987 120.8679 55.1327 18.2581 179.6614 56 R 3.8189 7.9873 117.1773 59.4340 30.0683 178.7781 57 V 3.5669 7.8018 117.9374 66.2679 31.4834 177.4178 58 C 4.1644 8.2513 116.5409 63.3809 28.0824 176.2486 59 Q 4.1183 8.7850 121.9988 59.8480 28.2873 179.7721 60 D 4.3916 8.3329 121.9755 58.4110 39.8713 181.0587 61 R 4.3191 8.3227 120.1487 59.1630 30.1112 179.1367 62 L 3.8441 8.2969 118.6150 57.7248 41.6284 179.4864 63 A 3.9966 8.0574 120.6126 55.2107 18.3401 179.6038 64 Q 3.9177 8.1665 116.3030 59.0958 28.8729 179.0520 65 A 3.9335 8.1407 121.7713 55.1374 18.4156 179.0818 66 E 3.8277 8.5514 118.2522 59.4599 29.5978 178.8414 67 Q 3.8930 8.0906 119.3125 59.4721 29.2634 178.2036 68 Q 3.9905 8.0402 118.9708 59.0386 28.6952 179.3820 69 V 3.5551 7.7473 118.9518 65.9240 31.6325 178.1465 70 K 4.1839 7.9274 119.6188 58.8580 31.7911 179.4374 71 V 3.5781 7.7656 118.3482 66.0620 31.4109 178.0988 72 L 3.9744 7.8329 118.5283 57.8836 41.5083 179.3934 73 E 4.0551 8.7583 119.1616 59.2302 29.2401 179.7225 74 G 3.6771 8.1647 105.8690 47.9756 0.0000 175.6637 75 D 4.4093 8.4143 121.7684 56.7826 40.5715 178.5255 76 L 3.9430 7.9784 120.4595 57.9909 42.2953 178.6008 77 L 4.2198 7.8122 118.5275 56.8890 41.6856 179.1186 78 R 3.9175 7.6424 118.4645 59.0811 29.9518 177.0488 79 P 4.4899 0.0000 0.0000 64.0181 31.4906 176.8068 80 L 4.4442 7.6591 116.3150 54.2313 42.7863 175.7675 81 D 4.6299 7.8570 120.0350 52.3327 40.7980 175.2088 82 P 4.2860 0.0000 0.0000 64.6422 31.5352 177.2004 83 A 4.4119 8.1236 119.1718 51.8316 19.4719 176.8453 84 A 4.2935 7.9035 124.5706 52.1589 19.0787 177.2285 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 13 A 8.26 4.31 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.84 3.96 0.00 2.14 1.87 0.00 3.34 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.28 0.00 15 P 0.00 4.29 0.00 2.03 1.98 0.00 3.65 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 2.02 2.07 0.00 16 L 8.17 4.42 0.00 1.56 1.55 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.28 0.00 2.03 1.96 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 18 Q 8.66 4.60 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.24 0.00 19 D 7.62 5.08 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.80 3.99 0.00 3.13 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 3.95 0.00 2.07 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 2.60 2.44 0.00 22 T 8.16 3.87 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 1.19 0.00 0.00 23 A 7.81 3.89 1.25 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 0.00 0.00 24 L 7.70 3.58 0.00 0.87 1.41 0.77 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.80 4.10 1.34 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 0.00 0.00 26 E 8.15 3.87 0.00 2.17 1.90 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 2.27 2.28 0.00 27 L 8.19 3.88 0.00 1.76 1.79 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.47 3.92 0.00 2.18 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 2.31 2.45 0.00 29 S 8.11 4.12 0.00 4.00 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 30 L 7.89 3.90 0.00 1.79 1.79 0.90 1.31 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 31 V 7.73 3.73 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 0.86 0.00 0.00 0.98 0.00 0.00 32 S 8.21 4.53 0.00 3.90 4.11 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 0.00 0.00 0.00 33 A 8.06 4.24 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 *35 E 8.19 3.98 0.00 2.19 2.22 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 2.26 2.34 0.00 *39 L 7.63 4.16 0.00 1.69 1.69 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.47 0.00 2.16 1.97 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.14 0.00 41 L 8.29 3.92 0.00 1.75 1.65 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.12 4.03 0.00 2.17 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 2.37 1.97 0.00 43 Q 8.00 4.03 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 44 S 8.31 4.14 0.00 4.08 3.92 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 45 L 8.60 4.11 0.00 1.67 1.77 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.22 4.12 0.00 4.15 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 47 A 8.30 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.53 4.00 0.00 3.06 3.16 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 0.00 49 R 8.24 3.71 0.00 2.05 1.95 0.00 3.21 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 50 R 8.03 3.94 0.00 2.00 2.06 0.00 3.11 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 51 G 8.31 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.39 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.31 0.00 0.00 53 E 8.07 3.93 0.00 2.14 1.94 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 2.44 2.46 0.00 54 L 8.11 3.91 0.00 1.75 1.62 0.89 0.81 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 55 A 8.10 3.93 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 56 R 7.99 3.82 0.00 2.01 2.11 0.00 3.09 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 57 V 7.80 3.57 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 1.06 0.00 0.00 1.07 0.00 0.00 58 C 8.25 4.16 0.00 3.08 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 59 Q 8.79 4.12 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.82 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 60 D 8.33 4.39 0.00 2.69 2.67 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 61 R 8.32 4.32 0.00 2.19 2.11 0.00 3.31 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.06 0.00 62 L 8.30 3.84 0.00 1.86 1.69 1.09 0.63 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 63 A 8.06 4.00 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 64 Q 8.17 3.92 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 65 A 8.14 3.93 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 66 E 8.55 3.83 0.00 2.09 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 2.30 2.36 0.00 67 Q 8.09 3.89 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 68 Q 8.04 3.99 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 69 V 7.75 3.56 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 1.02 0.00 0.00 0.94 0.00 0.00 70 K 7.93 4.18 0.00 2.10 1.84 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.19 7.81 71 V 7.77 3.58 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 1.16 0.00 0.00 0.96 0.00 0.00 72 L 7.83 3.97 0.00 1.87 1.69 0.97 0.91 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 73 E 8.76 4.06 0.00 2.11 1.99 0.00 0.00 0.00 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 2.41 0.00 74 G 8.16 3.68 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 0.00 0.00 0.00 75 D 8.41 4.41 0.00 2.83 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 76 L 7.98 3.94 0.00 1.72 1.91 0.92 1.19 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 77 L 7.81 4.22 0.00 1.86 1.69 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 78 R 7.64 3.92 0.00 2.01 1.99 0.00 3.12 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 79 P 0.00 4.49 0.00 2.01 2.10 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 80 L 7.66 4.44 0.00 1.74 1.67 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 81 D 7.86 4.63 0.00 2.75 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 82 P 0.00 4.29 0.00 2.08 2.09 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 83 A 8.12 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 84 A 7.90 4.29 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 * Residues marked with a * may have inaccurate shift predictions.