NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 N 4.7285 8.4244 118.1322 52.5042 40.5672 173.3579 23 E 4.6282 7.8657 118.6994 51.4097 32.4397 172.9744 24 P 4.4984 0.0000 0.0000 62.7426 33.2937 175.1918 25 R 4.4509 8.2042 119.8473 54.1554 33.5849 173.6955 26 A 4.2353 8.8789 129.0078 52.6378 18.1649 176.8906 27 A 4.3590 8.9804 125.5226 53.8145 20.1288 177.5744 28 K 4.7577 7.7854 112.0188 55.2021 37.0563 175.4779 29 A 5.2456 8.3572 123.2169 50.7671 22.2896 175.4795 30 R 4.6583 8.9468 117.1015 55.2815 33.9384 172.9911 31 Y 4.9284 8.5593 120.5421 55.9938 41.1595 173.6613 32 D 4.5450 8.7297 128.1214 52.9191 41.6265 177.2413 33 R 3.6963 8.4392 126.3577 59.2618 30.5197 178.2098 34 S 4.1459 8.0976 111.5059 61.3523 62.1747 175.0387 35 S 4.2876 8.4811 111.3584 57.3423 63.5639 173.4455 36 A 3.8288 7.2270 122.4719 52.3324 16.4576 176.9667 37 R 4.7539 6.7573 117.6348 54.8348 35.7093 176.0338 38 V 4.3657 8.1113 122.1900 61.9673 32.9627 174.6383 39 I 4.7469 8.5519 129.7893 59.6841 39.2953 174.7832 40 V 4.7576 9.4035 128.3466 61.2917 33.8392 174.0968 41 D 5.0698 9.0060 129.0232 52.9415 41.9310 176.3601 42 L 4.6737 9.1561 124.7587 54.2820 42.7213 178.2798 43 E 4.0898 9.0465 122.0525 58.0190 29.7553 177.1508 44 N 4.7148 8.2449 114.4178 52.9448 37.5418 175.7361 45 G 3.9223 8.1540 106.6391 45.6101 0.0000 173.5554 46 C 4.7254 8.1985 117.5974 58.9478 30.6096 172.6632 47 T 5.2296 8.3319 115.6423 61.9680 72.0112 173.4554 48 F 5.1295 9.5709 126.7831 56.4661 42.8527 173.3666 49 A 5.7632 8.1177 125.9397 49.0757 22.2969 175.0498 50 F 4.9879 7.9342 114.3398 54.4152 41.9001 171.9891 51 P 4.6263 0.0000 0.0000 61.6650 31.9115 175.4552 52 P 4.5183 0.0000 0.0000 65.3850 31.3527 176.6879 53 R 4.4336 7.7770 117.4548 56.7792 30.4106 176.7534 54 L 4.6112 7.7166 117.6087 54.4212 44.4230 177.0556 55 A 4.5525 7.9775 122.8668 50.3384 19.6926 176.3281 56 Q 3.1367 7.5437 125.5113 56.6023 29.1879 175.0717 57 G 3.9718 8.7865 116.6999 46.2160 0.0000 174.6361 58 L 4.0226 7.6815 117.5271 54.4374 42.2148 176.4322 59 E 4.0705 8.1944 118.1141 58.2404 29.6989 176.8001 60 G 3.9433 8.7637 109.4821 46.2452 0.0000 172.8793 61 A 4.3572 7.6732 121.9849 50.8962 19.4181 179.4323 62 S 4.3785 8.9983 118.0853 57.6682 65.4440 175.4402 63 D 4.1303 8.5268 122.1719 57.7895 40.3799 178.6588 64 D 4.4450 8.1348 117.1116 57.8349 41.2086 178.7786 65 Q 4.1735 7.9753 117.9884 59.0122 28.5862 178.8299 66 L 4.0542 8.0759 120.2748 58.0396 41.3106 179.2978 67 C 4.3102 7.9622 115.1544 62.5408 28.1264 175.4184 68 A 4.1840 7.9035 120.4193 52.1660 18.2814 177.7350 69 V 2.4618 6.7906 116.9996 62.1641 31.6651 175.7504 70 E 4.7010 8.6479 122.1822 54.6091 34.1662 174.2914 71 I 4.7760 8.1466 121.7233 60.0851 39.2104 175.0875 72 L 4.5467 8.4017 125.5161 53.9939 46.3360 176.2608 73 G 4.0476 8.6849 106.1589 46.1844 0.0000 173.5723 74 Q 4.0893 8.8837 118.0100 58.1316 29.1969 179.3476 75 G 3.9035 6.9451 104.4229 45.2934 0.0000 173.9719 76 Y 4.5493 8.0206 118.3991 57.6818 39.2174 175.4695 77 G 4.5194 8.0726 107.6290 44.2272 0.0000 172.1339 78 L 5.1454 8.9491 123.0970 53.0563 44.1270 175.1095 79 H 5.4772 9.0053 123.0683 54.1636 33.8954 172.2493 80 W 4.7516 8.9689 124.1179 54.9065 31.4664 175.7410 81 E 3.9094 9.1797 125.8856 59.6758 29.5699 178.2858 82 T 4.0693 7.9659 114.3964 66.7002 68.6778 175.9921 83 L 3.9797 7.9852 119.0832 55.5113 42.4034 176.0676 84 D 4.3875 7.6913 117.1143 55.6294 39.8967 173.2231 85 V 4.5592 7.3960 118.4052 61.2882 35.4481 174.6543 86 D 5.4294 8.7743 125.8810 52.9065 44.0961 174.5878 87 L 4.7805 9.1319 124.2952 52.7533 44.8655 176.2137 88 S 4.5961 8.5030 117.8178 57.3192 62.7182 174.2190 89 L 3.9176 9.0993 131.3028 57.8056 42.0321 176.5064 90 P 4.2662 0.0000 0.0000 65.4469 31.8361 178.0211 91 G 3.5854 8.0754 107.2879 48.7213 0.0000 176.4841 92 L 3.6879 7.9960 117.9142 55.0989 41.0196 178.8161 *94 A 4.0979 8.0115 121.7824 51.3734 20.1224 178.5148 95 G 3.6383 7.8857 103.6893 44.9034 0.0000 173.4824 96 I 3.9995 7.4686 121.1691 60.0323 37.1953 175.5801 97 F 4.7291 8.3961 123.4607 56.4634 40.0558 175.9418 98 G 3.8758 7.2304 107.1851 45.9256 0.0000 172.9584 99 T 4.2621 8.0558 109.3899 60.9216 69.7646 175.5622 100 K 3.8298 8.9600 122.2980 59.8992 32.2502 178.1432 101 A 4.1055 8.3020 119.4542 55.2019 18.7663 178.5238 102 W 4.1950 7.7908 124.9842 56.8495 29.1952 175.8036 *104 A 4.0431 7.6542 125.6730 52.5495 18.2995 176.7995 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 22 N 8.42 4.73 0.00 2.73 2.93 0.00 0.00 6.65 6.78 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 23 E 7.87 4.63 0.00 2.01 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 2.07 2.54 0.00 24 P 0.00 4.50 0.00 2.23 2.05 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 25 R 8.20 4.45 0.00 1.65 1.56 0.00 2.21 0.00 0.00 2.80 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.65 0.00 26 A 8.88 4.24 1.28 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 0.00 0.00 0.00 27 A 8.98 4.36 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.79 4.76 0.00 1.80 1.64 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.43 7.81 29 A 8.36 5.25 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.95 4.66 0.00 1.88 2.00 0.00 2.72 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 31 Y 8.56 4.93 0.00 3.16 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 32 D 8.73 4.55 0.00 2.62 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 0.00 0.00 0.00 0.00 33 R 8.44 3.70 0.00 1.81 2.01 0.00 3.33 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.66 0.00 34 S 8.10 4.15 0.00 3.77 4.01 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 0.00 0.00 0.00 35 S 8.48 4.29 0.00 3.91 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 36 A 7.23 3.83 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 37 R 6.76 4.75 0.00 1.50 1.59 0.00 3.19 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.44 0.00 38 V 8.11 4.37 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.78 0.00 0.00 39 I 8.55 4.75 1.84 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 1.03 0.37 0.91 0.00 0.00 40 V 9.40 4.76 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.24 0.00 0.00 41 D 9.01 5.07 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 42 L 9.16 4.67 0.00 1.79 1.60 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.05 4.09 0.00 2.13 1.94 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 2.30 2.21 0.00 44 N 8.24 4.71 0.00 2.85 2.88 0.00 0.00 6.29 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.15 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 0.00 0.00 0.00 46 C 8.20 4.73 0.00 3.06 2.92 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 47 T 8.33 5.23 4.29 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 1.33 0.00 0.00 48 F 9.57 5.13 0.00 3.13 2.98 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 49 A 8.12 5.76 1.05 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 50 F 7.93 4.99 0.00 3.12 3.02 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 0.00 0.00 0.00 51 P 0.00 4.63 0.00 2.26 2.24 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 52 P 0.00 4.52 0.00 2.16 2.34 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 53 R 7.78 4.43 0.00 1.84 2.01 0.00 3.14 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 54 L 7.72 4.61 0.00 1.43 0.98 0.55 0.61 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 55 A 7.98 4.55 1.31 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 56 Q 7.54 3.14 0.00 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.12 0.00 0.00 0.00 0.00 0.00 1.80 1.16 0.00 57 G 8.79 3.97 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 0.00 0.00 0.00 58 L 7.68 4.02 0.00 1.75 1.43 0.69 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.19 4.07 0.00 1.99 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 2.59 2.52 0.00 60 G 8.76 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 61 A 7.67 4.36 1.12 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 0.00 0.00 62 S 9.00 4.38 0.00 4.01 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 63 D 8.53 4.13 0.00 2.82 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.13 4.45 0.00 2.62 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 65 Q 7.98 4.17 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 66 L 8.08 4.05 0.00 1.08 1.10 0.19 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 67 C 7.96 4.31 0.00 3.20 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 68 A 7.90 4.18 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.79 2.46 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 0.70 0.00 0.00 0.25 0.00 0.00 70 E 8.65 4.70 0.00 1.89 1.74 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 2.14 2.33 0.00 71 I 8.15 4.78 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.48 0.88 0.00 0.00 72 L 8.40 4.55 0.00 1.50 1.49 0.65 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.68 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 74 Q 8.88 4.09 0.00 1.81 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.41 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 75 G 6.95 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 76 Y 8.02 4.55 0.00 3.04 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 77 G 8.07 4.52 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 0.00 0.00 0.00 78 L 8.95 5.15 0.00 1.78 1.39 1.36 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 79 H 9.01 5.48 0.00 3.13 2.99 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 W 8.97 4.75 0.00 3.24 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 81 E 9.18 3.91 0.00 1.97 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 2.34 2.45 0.00 82 T 7.97 4.07 4.29 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 1.23 0.00 0.00 83 L 7.99 3.98 0.00 1.67 1.67 0.58 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.69 4.39 0.00 2.82 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.40 4.56 2.05 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 0.88 0.00 0.00 0.82 0.00 0.00 86 D 8.77 5.43 0.00 2.61 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 87 L 9.13 4.78 0.00 1.80 1.59 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.50 4.60 0.00 3.83 3.69 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 89 L 9.10 3.92 0.00 1.63 1.88 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.27 0.00 1.98 2.00 0.00 3.67 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 1.91 2.10 0.00 91 G 8.08 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.00 3.69 0.00 1.63 1.62 0.41 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 *94 A 8.01 4.10 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 95 G 7.89 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.47 4.00 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.48 0.85 0.00 0.00 97 F 8.40 4.73 0.00 3.33 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 98 G 7.23 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.06 4.26 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 1.22 0.00 0.00 100 K 8.96 3.83 0.00 1.81 1.98 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.50 7.81 101 A 8.30 4.11 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 0.00 102 W 7.79 4.19 0.00 3.32 3.46 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 0.00 *104 A 7.65 4.04 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 * Residues marked with a * may have inaccurate shift predictions.