NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8531 8.3549 109.7362 45.3528 0.0000 172.7667 2 K 4.2640 8.3226 118.1868 52.4293 33.3963 174.6581 3 K 4.3213 8.3058 124.2019 55.8429 34.9371 177.2422 4 S 4.5544 8.2107 116.8772 57.0304 65.9839 175.1688 5 K 3.8469 8.4509 121.3855 59.5977 31.8325 178.2899 6 A 3.9683 7.9101 120.3781 55.4689 18.3374 179.3750 7 T 3.7994 7.6519 113.8850 66.7618 68.4867 176.4743 8 K 3.8547 8.2149 121.4479 59.6371 32.1046 178.8048 9 K 3.9645 8.0142 118.5316 59.6228 31.9878 179.5753 10 R 3.9360 8.1706 118.3025 59.1498 29.9472 179.1624 11 L 3.9955 8.3291 118.9731 57.5584 41.6117 179.2001 12 A 3.9822 8.2985 121.1376 55.1260 18.2484 179.5060 13 K 3.8367 8.2019 118.0394 59.7749 32.0547 178.8712 14 L 4.1533 7.7549 117.8505 57.9637 41.7221 178.7438 15 D 4.4669 8.2950 117.9916 57.2496 41.1176 177.8813 16 N 4.3446 8.1284 117.7268 56.6687 38.8395 176.8207 17 Q 4.1886 8.2554 118.3214 58.0312 28.7226 177.0748 18 N 4.7937 7.4664 117.4589 52.7833 39.1638 174.5115 19 S 4.5564 7.4143 113.9843 56.8960 64.7467 173.3349 20 R 4.3155 7.9723 120.6491 54.4807 31.1344 175.8456 21 V 3.5170 8.0640 122.0343 61.8536 31.9855 174.1226 22 P 4.1826 0.0000 0.0000 62.9241 31.7156 176.8019 23 A 3.9673 8.8161 122.4861 55.3765 18.2231 180.2290 24 W 4.2634 8.1798 114.5013 59.6788 27.9483 178.5321 25 V 3.5912 6.8429 118.6785 65.4995 30.7401 178.0036 26 M 4.0330 7.7256 118.9120 58.2577 31.7985 178.6356 27 L 4.0417 7.8279 118.7079 57.6577 41.7949 179.2407 28 K 4.1995 8.6635 118.8199 58.5063 32.1458 177.2242 29 T 4.4791 7.2571 106.3918 60.3990 69.2876 173.3558 30 D 4.2876 8.7137 120.3122 55.5624 39.0972 171.3460 31 R 3.9926 8.1704 121.5895 55.8222 30.8700 176.6861 *35 R 3.9429 8.2153 119.1946 56.1889 31.2907 175.4770 36 N 4.6384 8.1176 120.5117 52.1976 37.8711 176.0341 37 H 4.8261 8.1525 123.9872 54.9895 28.0544 176.9599 38 K 4.4823 8.6304 117.2385 56.1960 33.5908 177.1066 39 R 4.0611 8.1624 119.4406 56.0759 29.0675 175.6641 40 R 4.4791 8.3266 123.4582 54.5766 31.6938 174.8801 41 H 4.8744 8.4943 125.0599 54.1112 31.1847 175.7531 42 W 4.2197 8.6287 123.2031 58.9501 28.2913 176.9529 43 R 3.9051 6.3599 117.5588 58.0170 30.0330 177.5410 44 R 3.9711 7.6555 114.0418 57.7467 30.3252 175.5820 45 N 5.0664 7.8649 114.2034 51.1434 41.6540 172.9975 46 D 4.7089 8.2210 117.4091 52.9594 44.1226 174.7518 47 T 4.4194 8.2195 115.9697 59.9339 70.8959 173.3484 48 D 4.5545 8.2753 121.6553 54.2559 41.9734 176.7107 49 E 4.1304 8.6784 118.4876 57.4087 29.6857 174.8662 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 G 8.35 3.85 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 0.00 0.00 0.00 2 K 8.32 4.26 0.00 1.79 1.73 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.43 7.81 3 K 8.31 4.32 0.00 1.86 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.41 7.81 4 S 8.21 4.55 0.00 4.07 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 5 K 8.45 3.85 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.91 3.97 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 7 T 7.65 3.80 4.46 0.00 0.00 0.00 0.00 0.00 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 8 K 8.21 3.85 0.00 1.95 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 9 K 8.01 3.96 0.00 2.02 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.79 7.81 10 R 8.17 3.94 0.00 2.04 1.98 0.00 3.40 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 1.67 0.00 11 L 8.33 4.00 0.00 1.83 1.72 0.92 0.87 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 12 A 8.30 3.98 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 13 K 8.20 3.84 0.00 1.91 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 7.75 4.15 0.00 1.86 1.74 0.94 0.88 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 15 D 8.30 4.47 0.00 2.80 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 16 N 8.13 4.34 0.00 2.86 2.95 0.00 0.00 7.18 6.94 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 17 Q 8.26 4.19 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.14 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 18 N 7.47 4.79 0.00 2.94 2.91 0.00 0.00 7.13 8.98 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 19 S 7.41 4.56 0.00 4.04 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 20 R 7.97 4.32 0.00 1.77 1.83 0.00 3.22 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 21 V 8.06 3.52 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 0.67 0.00 0.00 0.83 0.00 0.00 22 P 0.00 4.18 0.00 1.52 2.13 0.00 3.50 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.65 0.00 23 A 8.82 3.97 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 24 W 8.18 4.26 0.00 3.61 3.33 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 25 V 6.84 3.59 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 0.77 0.00 0.00 -0.49 0.00 0.00 26 M 7.73 4.03 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.78 0.00 27 L 7.83 4.04 0.00 1.90 1.76 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.66 4.20 0.00 2.03 1.97 0.00 2.13 0.00 0.00 2.02 0.00 0.00 3.18 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.57 7.81 29 T 7.26 4.48 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 1.26 0.00 0.00 30 D 8.71 4.29 0.00 2.83 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 31 R 8.17 3.99 0.00 1.92 1.98 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 *35 R 8.22 3.94 0.00 1.67 1.82 0.00 3.25 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 36 N 8.12 4.64 0.00 2.66 2.68 0.00 0.00 7.18 7.89 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 37 H 8.15 4.83 0.00 3.17 3.27 0.00 5.78 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.63 4.48 0.00 1.80 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 39 R 8.16 4.06 0.00 1.80 1.93 0.00 3.18 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 40 R 8.33 4.48 0.00 1.77 1.85 0.00 3.25 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 41 H 8.49 4.87 0.00 3.15 3.03 0.00 5.93 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.63 4.22 0.00 3.53 3.15 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 0.00 0.00 0.00 0.00 43 R 6.36 3.91 0.00 0.67 1.25 0.00 2.40 0.00 0.00 2.88 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.19 0.00 44 R 7.66 3.97 0.00 1.78 1.91 0.00 3.30 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 45 N 7.86 5.07 0.00 3.01 2.73 0.00 0.00 6.64 7.59 0.00 0.00 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 8.22 4.71 0.00 2.56 2.47 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 47 T 8.22 4.42 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 1.24 0.00 0.00 48 D 8.28 4.55 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.68 4.13 0.00 2.09 1.91 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 2.23 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.