NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3428 8.3049 120.3494 55.3160 33.4209 174.4916 2 Q 4.6107 8.2191 123.8343 53.7424 31.7139 173.2605 3 Y 4.7291 8.6711 118.0769 55.9782 42.1470 174.7688 4 K 4.7484 8.6726 123.7773 54.5351 35.1884 175.4743 5 V 4.3812 8.2835 123.8636 61.1756 34.3492 174.1286 6 I 4.4315 8.2455 127.3595 59.3687 39.2666 175.0144 7 L 4.4450 7.7550 123.7916 54.0667 45.4776 176.0819 8 N 3.9180 8.6058 121.8682 54.5930 35.5606 172.6592 *19 E 4.3014 7.8017 122.0065 56.1832 31.8571 177.4465 20 A 4.0959 7.9019 119.2347 54.4141 18.6927 177.4832 21 V 3.6228 6.9741 115.5365 62.8905 31.8480 175.6395 22 D 4.5543 8.6014 126.8883 53.6699 43.0970 176.5914 23 A 3.9680 8.5478 127.9582 55.1458 18.5124 179.8011 24 A 3.9308 8.1300 119.1043 55.5635 18.5648 179.8476 25 T 3.8823 7.8287 107.2873 64.7009 68.8508 176.6115 26 F 4.0518 8.1178 123.0216 61.0731 39.3553 176.8284 27 E 3.5624 8.1714 118.1001 59.2074 29.2575 179.3057 28 K 3.9838 7.9739 119.4526 59.5261 32.2036 178.7654 29 V 3.5734 8.2121 118.8421 66.0924 31.5064 178.1662 30 V 3.5384 7.6993 117.7263 65.9624 31.3641 177.8854 31 K 4.1241 8.7005 119.8430 59.5289 31.9869 178.4997 32 Q 3.9571 8.7960 120.2743 59.0664 28.7771 177.7675 33 F 3.9197 8.1837 120.8042 61.4861 39.5728 176.9092 34 F 4.0922 8.1475 116.7699 60.5642 38.3224 177.3534 35 N 4.3278 8.5042 116.3423 56.5879 38.1713 177.1272 36 D 4.4588 8.3361 118.9743 56.2382 40.8524 177.4064 37 N 4.6720 7.7413 115.5152 52.4444 38.9284 175.7022 38 G 3.9036 8.3215 109.0778 45.2107 0.0000 173.8606 39 V 4.3164 7.4335 112.4365 59.3270 33.8560 174.7643 40 D 4.8511 7.8464 123.7594 52.4929 42.4249 175.0088 41 G 3.8364 7.5121 111.0882 45.5352 0.0000 172.0809 42 E 4.6457 8.1981 117.6666 53.9376 33.3506 175.6979 43 W 4.4611 8.7255 121.0377 56.1331 29.5578 176.2512 44 T 4.7669 8.2783 113.2698 59.6589 70.9625 173.3511 45 Y 4.3341 8.3980 120.5020 57.7204 38.7761 175.6236 46 D 4.7443 8.5934 123.4511 53.7036 41.9424 176.0984 47 D 4.5105 8.4260 120.6663 53.7737 41.5241 176.5077 48 A 4.1226 8.5049 124.8276 53.2045 18.8441 177.2757 49 T 4.7089 8.2807 116.5437 61.5555 72.0119 173.6475 50 K 4.6468 8.6401 124.2747 54.7976 34.5711 175.6008 51 T 4.5394 8.2706 119.5292 61.4405 70.7406 173.7946 52 F 4.2361 8.8599 128.4386 58.0703 39.1285 174.4997 53 T 4.2998 7.7073 125.7334 61.6094 69.2963 175.3577 54 V 3.6452 8.1065 126.5931 63.4119 32.1538 175.1835 55 T 4.4375 8.2022 121.6951 63.3103 68.5226 174.8531 56 E 4.3515 7.8591 127.0035 57.1684 30.4363 175.3571 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 8.30 4.34 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.48 0.00 2 Q 8.22 4.61 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 3 Y 8.67 4.73 0.00 3.00 2.91 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 4 K 8.67 4.75 0.00 1.71 1.67 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.43 7.81 5 V 8.28 4.38 1.92 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 0.44 0.00 0.00 1.06 0.00 0.00 6 I 8.25 4.43 1.82 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 1.39 0.74 0.87 0.00 0.00 7 L 7.76 4.44 0.00 1.40 1.38 0.43 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.61 3.92 0.00 2.75 2.76 0.00 0.00 7.09 7.65 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 *19 E 7.80 4.30 0.00 2.04 1.95 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 2.26 2.30 0.00 20 A 7.90 4.10 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 21 V 6.97 3.62 2.04 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 0.76 0.00 0.00 0.93 0.00 0.00 22 D 8.60 4.55 0.00 2.83 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.55 3.97 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 A 8.13 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 25 T 7.83 3.88 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 1.26 0.00 0.00 26 F 8.12 4.05 0.00 3.16 3.19 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 0.00 0.00 0.00 0.00 27 E 8.17 3.56 0.00 2.10 1.73 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 1.47 2.18 0.00 28 K 7.97 3.98 0.00 1.97 2.00 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.49 7.81 29 V 8.21 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 0.99 0.00 0.00 0.99 0.00 0.00 30 V 7.70 3.54 2.52 0.00 0.00 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 0.41 0.00 0.00 31 K 8.70 4.12 0.00 2.11 2.07 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.59 7.81 32 Q 8.80 3.96 0.00 2.38 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 33 F 8.18 3.92 0.00 2.98 3.09 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 0.00 0.00 0.00 0.00 34 F 8.15 4.09 0.00 3.33 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 35 N 8.50 4.33 0.00 2.88 2.87 0.00 0.00 7.08 8.82 0.00 0.00 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 D 8.34 4.46 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.74 4.67 0.00 2.48 2.66 0.00 0.00 7.12 7.25 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 38 G 8.32 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 0.00 0.00 0.00 39 V 7.43 4.32 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 0.77 0.00 0.00 1.17 0.00 0.00 40 D 7.85 4.85 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.51 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.20 4.65 0.00 1.88 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 43 W 8.73 4.46 0.00 3.21 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 44 T 8.28 4.77 4.31 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 1.24 0.00 0.00 45 Y 8.40 4.33 0.00 3.02 2.91 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 46 D 8.59 4.74 0.00 2.76 2.66 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 0.00 0.00 0.00 47 D 8.43 4.51 0.00 2.69 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 48 A 8.50 4.12 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 49 T 8.28 4.71 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 1.24 0.00 0.00 50 K 8.64 4.65 0.00 1.74 1.74 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.43 7.81 51 T 8.27 4.54 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 1.25 0.00 0.00 52 F 8.86 4.24 0.00 2.98 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 53 T 7.71 4.30 4.07 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 0.00 0.00 1.14 0.00 0.00 54 V 8.11 3.65 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 0.83 0.00 0.00 1.00 0.00 0.00 55 T 8.20 4.44 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 1.18 0.00 0.00 56 E 7.86 4.35 0.00 1.90 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 0.00 2.17 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.