NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9777 8.5298 119.7451 55.6319 33.5785 175.2288 2 N 4.7747 8.2626 123.1737 50.0521 41.1862 173.9514 3 K 3.8816 9.1701 120.9930 60.1679 32.6231 179.8916 4 T 3.8423 7.9212 115.3866 66.9280 68.5478 176.4184 5 Q 3.9957 8.7402 120.1810 58.7924 28.6241 178.6921 6 L 3.9588 8.0257 121.4165 58.0867 42.1323 179.0760 7 I 3.6686 7.9916 119.9693 64.4457 37.1613 177.8307 8 D 4.3762 8.1511 119.7652 57.6518 40.6831 179.4129 9 V 3.5871 7.7828 118.3157 66.0134 31.4505 178.0983 10 I 3.6523 8.1636 119.7709 64.3337 36.9478 178.1181 11 A 3.9707 8.4235 121.9848 55.3150 17.9591 179.5358 12 E 3.9865 8.1461 116.5673 59.0840 29.4711 179.5160 13 K 3.9203 8.0058 117.3597 59.3459 32.3470 178.5962 14 A 4.2803 8.0245 117.5054 51.0737 19.0414 176.4144 15 E 3.6752 7.6691 116.8811 57.5845 28.5782 173.8502 16 L 4.8026 7.6665 115.4908 52.0480 44.9860 177.4428 17 S 4.3586 8.2002 115.0793 58.0314 64.9472 175.3013 18 K 3.8322 8.5716 122.0449 60.1389 31.7607 179.2529 19 T 3.8780 8.0020 115.2209 67.0636 68.3106 176.3681 20 Q 3.9487 8.1561 119.2249 58.8014 28.7061 178.4677 21 A 3.9312 7.9270 121.8349 55.0089 18.3584 179.2903 22 K 3.7780 8.0568 117.7752 59.8817 32.2588 178.5774 23 A 3.9756 8.3921 120.9256 55.2027 18.1499 179.5578 24 A 3.8891 8.5249 119.5345 55.0378 18.5353 179.5428 25 L 3.8192 8.5277 119.2669 58.3459 42.1790 178.7336 26 E 3.8965 8.4112 118.8533 59.7202 29.3836 179.5535 27 S 4.0683 7.9611 114.6449 62.0038 62.9551 176.7092 28 T 3.8235 8.0308 118.3930 66.9429 68.2529 176.5836 29 L 3.8649 8.4286 120.5946 57.6728 41.6098 179.4753 30 A 3.9589 8.6593 120.8922 54.8954 18.1753 179.6035 31 A 3.8344 8.3550 119.6481 55.3456 18.5907 179.5202 32 I 3.5342 7.5209 118.2286 65.1832 37.2112 178.5476 33 T 3.8584 7.7387 115.9910 66.8647 68.0350 176.5563 34 E 4.0216 7.9395 119.4357 59.0678 29.7327 179.0821 35 S 4.2197 8.3230 113.5815 61.5555 62.6984 176.2186 36 L 4.0462 8.0441 121.5546 57.6198 41.0914 179.4358 37 K 3.8671 7.7321 117.8186 59.8061 32.1321 178.2548 38 E 4.3266 7.9892 116.7021 56.7397 29.8234 177.4716 39 G 4.0461 7.7009 105.3797 45.0200 0.0000 172.7536 40 D 4.5300 7.8007 119.4309 52.9464 41.8359 175.6376 41 A 4.4126 8.5400 128.8524 52.1804 19.6300 176.8210 42 V 4.1900 9.2687 122.6660 61.6090 32.9173 174.6795 43 Q 4.7142 8.6992 127.9986 55.0016 29.8572 175.8836 44 L 4.7156 8.8979 125.5684 52.4059 41.7713 176.3361 45 V 3.8438 8.4646 123.8628 63.9889 32.0888 176.0233 46 G 4.2686 8.7633 112.1088 46.2285 0.0000 173.7209 47 F 5.1367 7.3186 120.1436 56.9120 46.1282 175.5018 48 G 3.5666 7.6430 103.8798 46.2746 0.0000 169.6340 49 T 5.0640 7.5045 117.1224 61.5959 71.8542 173.6525 50 F 5.2179 9.5801 126.3582 56.3425 40.7091 175.2274 51 K 5.1770 9.5693 122.8268 55.0433 36.6577 175.1984 52 V 4.9130 8.3449 118.8093 59.9835 34.5250 174.6179 53 N 4.8919 8.8317 120.7043 51.8491 40.6021 173.6393 54 H 4.4979 8.7791 124.6663 55.2936 30.2717 174.5556 *75 N 4.5176 8.3734 125.3143 53.2478 38.9463 171.3237 76 V 4.5810 8.2649 114.8692 58.0750 34.4076 173.5387 77 P 5.0678 0.0000 0.0000 63.1299 32.5173 175.3707 78 A 4.8126 9.2494 121.4930 50.8695 23.1226 174.9593 79 F 5.0176 8.7180 121.6817 56.2452 42.4234 174.1339 80 V 4.0795 7.9728 126.5261 60.7492 33.4603 174.5528 81 S 3.9708 8.1635 123.4174 57.3862 64.1253 174.5354 82 G 3.6173 8.5882 110.9713 45.8143 0.0000 174.1936 83 K 3.8544 8.9580 121.9582 59.6390 31.7565 178.6367 84 A 3.9836 7.9612 118.9684 55.2099 18.6975 178.9776 85 L 4.1056 7.8068 118.1002 58.1827 42.4086 178.7393 86 K 3.8614 7.9664 118.5030 60.0113 31.8289 179.0002 87 D 4.4154 8.2221 117.3672 57.0330 40.7631 178.3924 88 A 4.1294 7.7625 120.1505 54.2197 18.3741 178.7759 89 V 4.0646 7.3414 114.8711 63.8640 32.5535 175.7540 90 K 4.0202 8.2111 121.5277 56.9227 31.9669 176.2339 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 M 8.53 4.98 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 2 N 8.26 4.77 0.00 3.09 2.94 0.00 0.00 5.87 5.91 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 3 K 9.17 3.88 0.00 1.83 1.83 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.52 7.81 4 T 7.92 3.84 4.37 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 1.21 0.00 0.00 5 Q 8.74 4.00 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 6 L 8.03 3.96 0.00 1.76 1.83 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.99 3.67 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.51 0.92 0.00 0.00 8 D 8.15 4.38 0.00 2.87 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 9 V 7.78 3.59 2.19 0.00 0.00 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 0.97 0.00 0.00 10 I 8.16 3.65 1.99 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 1.42 0.69 0.88 0.00 0.00 11 A 8.42 3.97 1.40 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 12 E 8.15 3.99 0.00 2.06 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 2.55 0.00 13 K 8.01 3.92 0.00 1.71 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.73 7.81 14 A 8.02 4.28 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 15 E 7.67 3.68 0.00 2.17 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 2.22 2.30 0.00 16 L 7.67 4.80 0.00 1.64 1.53 0.91 0.71 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 17 S 8.20 4.36 0.00 4.04 3.99 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 0.00 0.00 0.00 18 K 8.57 3.83 0.00 1.81 1.91 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.41 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.54 7.81 19 T 8.00 3.88 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 20 Q 8.16 3.95 0.00 2.22 2.13 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 2.37 2.36 0.00 21 A 7.93 3.93 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 22 K 8.06 3.78 0.00 1.88 2.10 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 23 A 8.39 3.98 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 24 A 8.52 3.89 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 25 L 8.53 3.82 0.00 1.76 1.83 0.87 1.19 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 26 E 8.41 3.90 0.00 2.10 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 2.65 2.44 0.00 27 S 7.96 4.07 0.00 4.02 3.89 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 0.00 0.00 0.00 28 T 8.03 3.82 4.35 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 1.13 0.00 0.00 29 L 8.43 3.86 0.00 1.70 1.64 0.88 0.83 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 30 A 8.66 3.96 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 31 A 8.35 3.83 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 32 I 7.52 3.53 1.58 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.67 0.36 0.00 0.00 33 T 7.74 3.86 4.35 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 1.20 0.00 0.00 34 E 7.94 4.02 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 2.34 2.40 0.00 35 S 8.32 4.22 0.00 3.88 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 36 L 8.04 4.05 0.00 1.75 1.75 1.06 0.75 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 37 K 7.73 3.87 0.00 1.94 1.92 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.53 7.81 38 E 7.99 4.33 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 2.31 2.54 0.00 39 G 7.70 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.80 4.53 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.54 4.41 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 42 V 9.27 4.19 2.31 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 1.07 0.00 0.00 0.98 0.00 0.00 43 Q 8.70 4.71 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 44 L 8.90 4.72 0.00 2.13 1.85 1.23 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.46 3.84 2.12 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 0.99 0.00 0.00 0.97 0.00 0.00 46 G 8.76 4.27 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 0.00 47 F 7.32 5.14 0.00 3.22 3.23 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 0.00 0.00 0.00 0.00 48 G 7.64 3.57 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 49 T 7.50 5.06 3.96 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 0.00 0.00 1.17 0.00 0.00 50 F 9.58 5.22 0.00 3.12 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 51 K 9.57 5.18 0.00 1.74 1.88 0.00 1.22 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.36 7.81 52 V 8.34 4.91 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 0.88 0.00 0.00 1.11 0.00 0.00 53 N 8.83 4.89 0.00 2.68 2.78 0.00 0.00 6.55 7.44 0.00 0.00 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 H 8.78 4.50 0.00 3.07 3.24 0.00 5.95 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *75 N 8.37 4.52 0.00 2.80 2.82 0.00 0.00 7.06 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 76 V 8.26 4.58 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 0.81 0.00 0.00 0.98 0.00 0.00 77 P 0.00 5.07 0.00 2.17 2.11 0.00 3.81 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 2.04 2.02 0.00 78 A 9.25 4.81 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.72 5.02 0.00 2.63 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 80 V 7.97 4.08 1.78 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 0.72 0.00 0.00 0.79 0.00 0.00 81 S 8.16 3.97 0.00 3.77 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.59 3.62 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 0.00 0.00 0.00 83 K 8.96 3.85 0.00 1.84 1.83 0.00 1.61 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.73 7.81 84 A 7.96 3.98 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 85 L 7.81 4.11 0.00 1.83 1.81 1.05 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.97 3.86 0.00 1.99 1.84 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.55 7.81 87 D 8.22 4.42 0.00 2.86 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 88 A 7.76 4.13 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 89 V 7.34 4.06 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 0.90 0.00 0.00 0.95 0.00 0.00 90 K 8.21 4.02 0.00 1.78 1.74 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.24 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.