NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7900 8.3393 109.7365 44.7292 0.0000 173.0097 *4 P 4.0901 0.0000 0.0000 62.4633 32.2129 176.0960 5 V 4.5670 7.8282 113.3846 59.5259 36.2675 174.0696 6 E 4.3088 8.6253 122.2086 54.3831 32.6470 174.3699 7 F 5.3384 8.3801 125.3952 56.5338 40.1364 174.7431 8 N 5.0700 8.6612 121.9705 51.6804 40.1787 175.1142 9 T 4.4927 8.6704 111.1592 61.5222 70.4079 173.9822 10 L 4.9899 7.5334 120.5363 53.1572 46.3005 175.8460 11 I 4.2420 8.6597 122.9894 60.2464 38.5510 175.2266 12 V 4.7437 8.4858 128.6330 61.3875 32.7427 175.0087 13 T 4.3659 8.7356 120.6586 59.6168 69.8818 176.1687 14 K 4.5270 7.9874 127.4092 56.1439 31.7667 178.8911 15 G 3.8665 8.6897 106.4681 45.8671 0.0000 174.8562 16 K 4.4805 7.3984 117.5416 56.2582 32.8097 176.3132 17 E 4.5965 7.9072 117.1968 56.5076 31.0594 175.9360 18 V 4.6343 8.8124 121.1929 61.1051 34.8304 174.3049 19 R 4.5081 8.8423 124.8393 55.3028 30.0423 176.2823 20 I 4.2362 7.9227 116.1705 60.9954 39.4276 175.3693 21 D 4.2757 7.0724 122.6534 53.5684 42.5752 175.0465 22 E 4.0738 8.6204 113.4200 58.7414 30.2921 177.3812 23 N 5.0060 7.8654 114.1447 51.9612 41.0933 173.5755 24 I 4.6839 7.1776 113.6466 59.1680 40.1470 174.7644 25 F 5.2226 8.9019 123.8415 55.5545 43.3227 173.8205 26 T 5.1095 9.1925 109.4792 60.0103 71.9006 172.7869 27 L 5.0613 9.3483 126.3569 53.2633 45.7201 174.2835 28 E 5.1244 8.9745 126.5392 54.5264 31.4018 174.8839 29 K 4.8109 9.9089 126.5349 54.5165 36.1901 174.5315 30 D 4.7086 8.6500 121.9176 54.6845 42.0711 177.3115 31 G 3.6294 8.8083 110.3672 45.4132 0.0000 172.7274 32 Y 3.8982 7.3882 116.7319 57.2115 38.2019 175.0383 33 R 5.1204 8.7582 123.3926 54.6537 32.8655 176.0838 34 V 4.7440 9.1501 122.0714 61.6122 33.7578 174.0536 35 Y 5.0353 8.6890 124.7186 55.6138 41.1402 175.5631 36 P 4.3960 0.0000 0.0000 62.4922 32.0453 175.7787 *38 E 4.2473 8.5433 118.5291 56.2864 31.1124 175.9983 39 I 4.5566 7.5057 118.8949 59.7025 38.5290 173.9819 40 P 5.0227 0.0000 0.0000 62.4263 32.3786 175.3220 *42 D 4.6234 8.4363 119.2910 54.4503 42.9149 174.9069 43 V 4.9906 8.4799 114.1633 59.6562 35.4916 174.9783 44 R 4.8575 9.0911 120.7476 54.3794 33.0950 176.2764 45 K 4.1337 8.7835 121.2895 59.2305 32.6539 176.5211 46 T 4.8251 7.3819 106.5729 59.9110 71.8827 173.7768 47 K 4.3210 8.3733 118.2140 56.5500 31.4583 178.3715 48 F 4.5551 8.0744 119.3410 55.9233 40.3945 174.7864 *50 E 4.0937 8.1836 131.1089 54.7154 31.2608 176.1851 51 K 3.6734 7.8765 118.2583 57.3433 32.8758 176.1927 52 S 4.1758 9.1577 120.0678 57.7964 63.4466 173.5321 53 G 4.2497 6.6652 104.2468 46.8731 0.0000 171.0005 54 T 5.1957 8.1341 115.4409 61.9455 72.2560 173.4660 55 A 5.2591 8.2110 124.5054 51.1527 23.6570 174.6687 56 E 4.7344 9.0644 117.6949 54.5689 33.6742 175.7588 57 V 4.0870 8.6474 125.3334 63.5210 31.5291 175.4510 58 Q 4.4406 9.3706 127.4949 57.4577 30.1063 176.1600 59 K 4.6945 7.7500 118.1529 54.7749 36.1177 174.7551 60 L 5.3499 8.3885 126.9872 53.4445 45.2100 175.2478 61 Q 4.6439 9.0514 122.7910 54.3141 32.4385 173.6816 62 W 5.6947 8.3562 120.3300 55.3280 32.0896 175.0790 63 E 4.6198 9.9122 120.1040 56.9889 33.3128 175.1611 64 E 3.8173 10.0963 126.0209 58.1247 26.7566 174.8413 65 G 3.3141 7.9972 103.4550 45.8603 0.0000 171.2618 66 R 4.9959 7.6428 117.5932 54.3374 34.2487 174.3852 67 T 5.3912 9.1268 115.0533 60.5045 71.0573 172.2747 68 I 5.1147 8.8556 128.6130 59.1747 41.0379 174.0218 69 I 4.9867 9.2985 123.1418 59.4325 41.0776 174.6170 70 T 5.1364 9.1255 120.8957 62.1482 70.9819 172.7460 71 Y 5.2301 8.5945 124.7637 54.9275 42.0132 174.5841 72 K 4.8012 8.9945 122.6933 54.5785 34.0638 175.0838 73 L 4.7364 9.4552 131.8940 55.6404 41.9402 176.6350 74 T 4.5430 8.7610 117.3580 61.9813 69.7575 174.8691 75 S 4.7395 7.4480 115.4906 58.1275 65.4379 175.4264 76 L 5.0259 8.6023 121.0114 54.2722 43.9285 173.6981 77 H 4.3455 8.8827 125.3671 56.9677 29.3778 178.4050 78 S 4.3752 5.8100 108.4737 57.5446 61.2844 175.7022 79 V 3.7472 7.2653 118.9529 60.8924 30.4657 176.2857 80 N 4.5533 8.3159 125.2522 53.7019 39.7606 174.5536 81 L 4.2878 8.0225 120.7107 55.2334 42.4858 175.4915 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 2 G 8.34 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.09 0.00 2.12 2.05 0.00 3.72 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 1.85 1.95 0.00 5 V 7.83 4.57 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 0.58 0.00 0.00 0.55 0.00 0.00 6 E 8.63 4.31 0.00 1.84 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 7 F 8.38 5.34 0.00 2.97 2.84 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 8 N 8.66 5.07 0.00 1.46 2.44 0.00 0.00 6.94 7.15 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 9 T 8.67 4.49 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 10 L 7.53 4.99 0.00 1.46 1.54 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.66 4.24 1.56 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.41 0.42 0.00 0.00 12 V 8.49 4.74 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 0.82 0.00 0.00 0.91 0.00 0.00 13 T 8.74 4.37 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 1.20 0.00 0.00 14 K 7.99 4.53 0.00 1.83 1.88 0.00 2.05 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.55 1.36 7.81 15 G 8.69 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.40 4.48 0.00 2.02 1.92 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.39 7.81 17 E 7.91 4.60 0.00 2.13 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 0.00 2.30 2.06 0.00 18 V 8.81 4.63 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 1.01 0.00 0.00 0.97 0.00 0.00 19 R 8.84 4.51 0.00 1.48 1.55 0.00 3.06 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 20 I 7.92 4.24 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.53 0.85 0.00 0.00 21 D 7.07 4.28 0.00 2.45 2.25 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 22 E 8.62 4.07 0.00 2.09 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 2.21 2.20 0.00 23 N 7.87 5.01 0.00 2.62 2.86 0.00 0.00 6.70 7.32 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 24 I 7.18 4.68 1.72 0.00 0.00 0.76 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 0.53 0.82 0.00 0.00 25 F 8.90 5.22 0.00 1.60 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.19 5.11 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 1.16 0.00 0.00 27 L 9.35 5.06 0.00 1.90 1.57 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.97 5.12 0.00 2.04 1.85 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 2.24 2.37 0.00 29 K 9.91 4.81 0.00 1.67 1.74 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.75 7.81 30 D 8.65 4.71 0.00 2.66 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.81 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.39 3.90 0.00 2.29 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.76 5.12 0.00 1.96 1.79 0.00 3.28 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.55 0.00 34 V 9.15 4.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.50 0.00 0.00 35 Y 8.69 5.04 0.00 2.93 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 36 P 0.00 4.40 0.00 2.09 2.06 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 *38 E 8.54 4.25 0.00 1.94 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 2.19 2.41 0.00 39 I 7.51 4.56 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.92 0.00 0.00 40 P 0.00 5.02 0.00 2.08 2.24 0.00 3.41 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 *42 D 8.44 4.62 0.00 2.70 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 43 V 8.48 4.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.91 0.00 0.00 44 R 9.09 4.86 0.00 1.76 1.93 0.00 2.73 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.76 0.00 45 K 8.78 4.13 0.00 1.86 1.86 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.50 7.81 46 T 7.38 4.83 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 47 K 8.37 4.32 0.00 1.17 1.40 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.35 7.81 48 F 8.07 4.56 0.00 2.95 2.93 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 *50 E 8.18 4.09 0.00 2.20 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 2.22 2.34 0.00 51 K 7.88 3.67 0.00 1.70 1.44 0.00 1.70 0.00 0.00 1.38 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.38 7.81 52 S 9.16 4.18 0.00 3.89 3.98 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 0.00 0.00 0.00 53 G 6.67 4.25 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 0.00 54 T 8.13 5.20 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 1.22 0.00 0.00 55 A 8.21 5.26 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 E 9.06 4.73 0.00 1.94 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 0.00 2.35 2.27 0.00 57 V 8.65 4.09 2.26 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 0.82 0.00 0.00 0.87 0.00 0.00 58 Q 9.37 4.44 0.00 1.92 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.39 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 59 K 7.75 4.69 0.00 1.77 1.57 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.41 7.81 60 L 8.39 5.35 0.00 1.66 1.42 1.27 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 9.05 4.64 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 62 W 8.36 5.69 0.00 3.21 2.95 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 63 E 9.91 4.62 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 64 E 10.10 3.82 0.00 2.16 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 2.27 2.34 0.00 65 G 8.00 3.31 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 0.00 66 R 7.64 5.00 0.00 1.79 1.93 0.00 3.05 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 67 T 9.13 5.39 4.62 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 1.52 0.00 0.00 68 I 8.86 5.11 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.52 1.00 0.00 0.00 69 I 9.30 4.99 1.80 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.11 0.71 0.00 0.00 70 T 9.13 5.14 4.24 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 0.00 0.00 0.00 1.17 0.00 0.00 71 Y 8.59 5.23 0.00 3.15 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 72 K 8.99 4.80 0.00 1.85 1.78 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.38 7.81 73 L 9.46 4.74 0.00 2.16 1.88 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.76 4.54 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 1.38 0.00 0.00 75 S 7.45 4.74 0.00 3.90 3.98 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 0.00 0.00 0.00 76 L 8.60 5.03 0.00 1.53 1.63 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.88 4.35 0.00 3.14 2.89 0.00 5.94 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 5.81 4.38 0.00 3.98 3.83 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 0.00 0.00 0.00 79 V 7.27 3.75 2.09 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 0.69 0.00 0.00 0.94 0.00 0.00 80 N 8.32 4.55 0.00 2.69 2.80 0.00 0.00 6.91 7.78 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 81 L 8.02 4.29 0.00 1.56 1.43 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.