NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 51 G 3.9407 8.3393 109.7364 47.3062 0.0000 172.9766 52 S 4.3558 7.9535 111.4224 55.8923 66.1453 174.7153 53 A 3.9525 8.4993 124.7428 55.5476 18.3983 181.3073 54 R 3.8148 7.9193 116.4738 59.6293 30.1871 178.6247 55 L 3.9957 8.1314 118.8680 57.7841 41.5787 179.7194 56 R 3.8949 8.3647 118.1821 59.0846 30.0013 178.9471 57 A 3.9752 8.2526 120.8087 54.9374 18.3030 179.3250 58 L 3.8675 8.1716 119.1519 58.3364 42.0966 179.0118 59 R 3.8681 8.1301 118.6504 59.7969 29.9739 178.3980 60 Q 3.9952 8.1055 117.5994 59.1091 28.6498 179.1570 61 R 3.9612 8.1907 119.1061 59.1864 29.9927 179.1014 62 Q 3.9981 8.3944 118.2292 58.8701 28.6196 178.6864 63 L 3.9865 8.2205 120.2969 57.9719 41.6981 179.2998 64 D 4.3589 8.2262 118.6814 57.4858 40.5392 179.1925 65 R 3.9130 7.9560 117.1296 59.1680 29.9159 178.6702 66 A 4.1130 8.3966 120.7691 55.1999 18.4058 179.6017 67 A 4.0484 8.4550 119.2388 54.9000 18.4473 179.6893 68 A 3.9828 8.0780 119.3705 55.0651 18.1516 179.5302 69 A 4.0992 7.5790 117.5459 54.3882 18.3291 178.6584 70 V 4.3730 7.2691 108.5075 60.8771 32.7046 176.4169 71 E 4.1963 7.9634 120.6987 55.4342 31.1861 176.0345 72 P 4.2724 0.0000 0.0000 66.2332 31.2795 178.4875 73 D 4.3480 8.0676 118.4274 56.0829 39.2633 178.7493 74 V 3.5269 7.6472 119.1050 65.7040 31.6581 177.8309 75 V 3.5567 8.0569 118.4441 66.1528 31.2567 178.2106 76 V 3.5657 7.9035 117.7227 65.9652 31.4320 178.1362 77 K 3.9688 8.0548 118.3103 59.5386 31.8927 179.3916 78 R 3.9503 8.5809 119.3684 59.2119 29.8691 178.3713 79 Q 3.9778 8.3730 119.8563 59.1464 28.9943 177.9620 80 E 3.9398 8.6592 119.8994 59.2135 29.4253 179.2222 81 A 3.9859 8.1165 121.0048 55.1103 18.4647 179.7230 82 L 3.9553 8.0459 117.3921 57.8282 41.5827 179.6190 83 A 4.0284 8.3855 120.9053 54.9369 18.3336 179.5729 84 A 3.9139 8.3337 119.4057 55.2047 18.2054 179.7498 85 A 3.9579 7.8504 118.6168 55.1133 18.4781 179.6303 86 R 3.9742 7.7852 116.5249 59.4839 30.4468 178.2798 87 L 4.1859 8.1604 119.1512 57.6718 41.6249 180.1882 88 K 4.3331 7.9163 115.7540 57.5382 31.8599 178.1260 *90 Q 4.2934 8.0264 118.5383 55.5865 30.9268 177.3913 91 E 3.9628 8.4093 117.4698 59.5099 29.3904 179.3696 92 E 4.0062 8.3459 118.5722 59.2376 29.4535 179.2823 93 L 4.0023 7.8675 118.5623 57.9624 41.7553 179.1665 94 N 4.3118 8.4235 116.2617 56.3425 38.4744 177.4078 95 A 4.0597 8.1317 122.1591 55.0295 18.3293 179.8126 96 Q 3.9407 8.2899 116.8275 59.0076 28.7900 178.7187 97 V 3.6140 8.0508 119.6037 66.3969 31.4617 178.0121 98 E 3.9829 8.2270 118.0635 59.0846 29.2568 179.3075 99 K 3.9052 8.1132 119.7928 59.9151 32.2973 178.6882 100 H 4.1796 8.5134 116.7708 58.6806 28.5747 177.9565 101 K 3.9724 8.2968 120.4782 59.4133 31.8921 178.9095 102 E 3.9250 8.3743 119.6700 59.1714 29.4740 178.7976 103 K 3.9359 8.1763 119.6257 59.4953 32.2818 178.7847 104 L 3.9742 8.1271 119.3663 57.5571 41.6481 179.2553 105 K 3.9083 8.1802 119.6008 59.7999 32.1098 178.9005 106 Q 4.0340 7.9927 118.1795 58.8877 28.6444 178.6119 107 L 4.0271 8.2045 120.2749 57.8143 41.6448 179.4067 108 E 3.9966 8.3283 118.6324 59.3209 29.3243 179.0298 109 E 3.9570 8.1491 119.1223 59.1326 29.6125 178.5136 110 E 3.9334 8.3915 119.5275 59.0627 29.5738 178.7670 111 K 3.9036 8.1769 118.6422 59.5800 32.1212 179.2623 112 R 3.9179 7.9892 118.7816 59.3329 29.9501 178.3572 113 R 3.9026 8.1674 118.6218 59.7012 29.8247 178.3387 114 Q 4.0066 8.0898 116.6707 58.9413 28.7540 179.0214 115 K 4.1786 7.6331 118.4461 59.5726 32.4271 179.0895 116 I 4.0661 7.9503 120.1188 64.3795 37.0705 178.6514 117 E 4.0204 8.3095 116.8683 57.1499 29.1786 178.2535 *119 W 4.8439 7.9273 118.7167 56.4355 31.0541 176.6450 120 D 4.5544 8.5885 117.9508 56.7471 40.5496 176.4848 121 S 4.3418 7.7792 117.4492 58.3991 63.2128 173.8103 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 51 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 52 S 7.95 4.36 0.00 4.07 3.91 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 0.00 0.00 0.00 0.00 53 A 8.50 3.95 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 54 R 7.92 3.81 0.00 1.89 1.93 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 55 L 8.13 4.00 0.00 1.86 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.36 3.89 0.00 1.98 1.97 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 57 A 8.25 3.98 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 58 L 8.17 3.87 0.00 1.81 1.84 0.92 1.06 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 59 R 8.13 3.87 0.00 1.91 2.06 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 60 Q 8.11 4.00 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 61 R 8.19 3.96 0.00 1.96 1.97 0.00 3.29 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.81 0.00 62 Q 8.39 4.00 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 63 L 8.22 3.99 0.00 1.84 1.72 0.92 1.19 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 64 D 8.23 4.36 0.00 2.87 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 65 R 7.96 3.91 0.00 1.94 1.99 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 66 A 8.40 4.11 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 67 A 8.45 4.05 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 68 A 8.08 3.98 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 69 A 7.58 4.10 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 70 V 7.27 4.37 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 0.75 0.00 0.00 0.96 0.00 0.00 71 E 7.96 4.20 0.00 2.14 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 2.52 2.46 0.00 72 P 0.00 4.27 0.00 2.26 2.31 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 73 D 8.07 4.35 0.00 2.89 2.97 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 0.00 0.00 0.00 74 V 7.65 3.53 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 0.96 0.00 0.00 1.01 0.00 0.00 75 V 8.06 3.56 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 1.01 0.00 0.00 0.99 0.00 0.00 76 V 7.90 3.57 2.15 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 1.05 0.00 0.00 0.97 0.00 0.00 77 K 8.05 3.97 0.00 1.97 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.54 7.81 78 R 8.58 3.95 0.00 1.82 2.14 0.00 3.09 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 79 Q 8.37 3.98 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 80 E 8.66 3.94 0.00 2.17 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 2.33 2.46 0.00 81 A 8.12 3.99 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 82 L 8.05 3.96 0.00 1.88 1.73 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.39 4.03 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 84 A 8.33 3.91 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 0.00 0.00 0.00 0.00 0.00 85 A 7.85 3.96 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 0.00 0.00 0.00 0.00 0.00 86 R 7.79 3.97 0.00 1.89 2.14 0.00 3.28 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 87 L 8.16 4.19 0.00 1.86 1.71 0.92 1.08 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 88 K 7.92 4.33 0.00 1.91 1.94 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 *90 Q 8.03 4.29 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 91 E 8.41 3.96 0.00 2.21 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 2.33 2.41 0.00 92 E 8.35 4.01 0.00 2.03 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 2.33 2.47 0.00 93 L 7.87 4.00 0.00 1.84 1.72 0.92 0.72 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 94 N 8.42 4.31 0.00 2.95 2.87 0.00 0.00 6.96 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 95 A 8.13 4.06 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 96 Q 8.29 3.94 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 97 V 8.05 3.61 2.24 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 1.04 0.00 0.00 0.97 0.00 0.00 98 E 8.23 3.98 0.00 2.04 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 2.51 2.46 0.00 99 K 8.11 3.91 0.00 1.94 1.91 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.44 7.81 100 H 8.51 4.18 0.00 3.27 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.30 3.97 0.00 1.95 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.53 7.81 102 E 8.37 3.92 0.00 2.22 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 2.31 2.19 0.00 103 K 8.18 3.94 0.00 1.98 1.96 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.53 7.81 104 L 8.13 3.97 0.00 1.92 1.71 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.18 3.91 0.00 1.97 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 106 Q 7.99 4.03 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 107 L 8.20 4.03 0.00 1.83 1.72 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.33 4.00 0.00 2.16 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 2.49 2.47 0.00 109 E 8.15 3.96 0.00 2.27 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 0.00 2.30 2.18 0.00 110 E 8.39 3.93 0.00 2.18 2.07 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 2.30 2.22 0.00 111 K 8.18 3.90 0.00 2.05 1.87 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.57 7.81 112 R 7.99 3.92 0.00 1.92 2.11 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 113 R 8.17 3.90 0.00 2.11 2.09 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 114 Q 8.09 4.01 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 115 K 7.63 4.18 0.00 1.95 2.05 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.73 7.81 116 I 7.95 4.07 1.93 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 1.47 0.90 1.00 0.00 0.00 117 E 8.31 4.02 0.00 2.17 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 2.30 2.37 0.00 *119 W 7.93 4.84 0.00 3.36 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 0.00 120 D 8.59 4.55 0.00 2.89 2.77 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 0.00 121 S 7.78 4.34 0.00 3.98 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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.