NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 G 3.8866 8.4545 109.7364 44.1670 0.0000 174.7295 9 V 4.1706 8.5313 114.2434 58.2712 34.8396 177.6875 *10 F 4.7781 8.4051 123.8130 55.3413 40.9181 173.7400 11 V 4.2406 7.6979 116.4878 60.9806 33.8218 174.0825 12 D 4.4445 8.4823 125.1662 53.7707 40.1999 177.3056 13 D 4.9569 8.6651 130.4521 52.0358 39.3307 171.9253 *14 H 4.6433 7.7695 125.2929 55.2545 33.6923 178.7211 15 L 4.3080 7.4469 125.6031 58.6066 40.5681 180.9532 16 L 4.6793 7.8359 122.7505 59.3360 40.5216 184.6052 17 E 4.3360 8.5404 120.0003 62.1444 29.2459 184.8634 18 K 4.5281 8.1568 126.0340 59.3840 32.0023 181.9122 19 V 3.9998 7.2819 120.6443 66.1239 31.7687 183.6271 20 L 4.4320 8.4075 124.9390 60.2002 40.6425 183.1463 21 E 4.2900 7.8765 121.1726 61.8172 29.7268 182.8089 22 L 4.4670 7.5601 125.7637 59.8417 40.7272 181.3553 23 N 4.8097 8.6255 118.0632 56.3427 37.7124 179.2643 24 A 4.7004 7.5838 121.3518 54.3182 19.8186 179.2285 25 K 4.2905 8.2873 121.6980 57.4258 32.5210 182.2874 26 G 4.2229 8.4323 108.2532 45.6875 0.0000 173.9059 27 E 4.2280 7.9717 118.2979 55.8905 30.9787 183.0411 28 K 4.5545 8.3730 128.6174 53.6866 32.0267 173.8338 29 R 4.4634 7.5965 125.3765 57.3966 32.2751 178.2556 30 L 5.1506 8.3879 119.9275 54.9311 42.7549 172.9450 31 I 4.4285 8.4620 126.2228 58.9954 37.5442 172.4755 32 K 4.8019 8.6896 130.7897 54.1506 34.2753 175.1705 33 T 4.8758 8.3373 114.6884 61.1006 72.9683 176.0762 *34 W 5.0255 8.6671 121.8600 56.5868 31.9134 178.7219 35 S 4.8672 7.9813 123.6216 59.9457 62.5298 178.6580 36 R 4.2472 9.0879 120.6674 58.9058 29.8936 177.7280 37 R 4.3027 9.0903 114.1838 57.1165 27.6490 178.4557 38 S 4.2173 8.0660 119.2240 59.2311 62.8618 175.6519 39 T 4.8534 8.3682 122.2004 59.2642 71.4381 171.0175 40 I 4.3682 7.8132 124.4423 60.9141 36.9679 177.0567 41 V 4.6073 8.1743 124.9888 58.9797 36.2304 175.1113 42 P 4.3697 0.0000 0.0000 66.9942 30.5329 178.1651 43 E 4.2431 8.2604 113.3044 58.7725 29.7424 181.6620 44 M 4.5421 8.2556 118.1476 55.8965 31.6903 183.5895 45 V 4.5615 7.2231 119.4721 64.1038 32.2936 180.7371 46 G 4.6364 7.7258 108.8305 44.1440 0.0000 171.8508 *47 H 4.7844 7.9824 116.7477 55.1687 33.2989 177.8077 48 T 4.2700 8.2985 118.0878 60.2197 67.5656 174.9383 49 I 4.3448 8.0085 130.1440 59.4512 32.9004 174.8715 50 A 4.6693 7.5960 134.4809 50.6221 16.6498 178.4924 51 V 3.8711 7.7270 123.5425 62.2566 33.0010 177.6394 *52 Y 4.7746 8.1985 118.2364 57.7642 40.9103 174.6819 53 N 5.1741 8.3452 117.4581 51.8995 44.2795 176.8625 54 G 5.2051 7.4305 119.2584 46.5087 0.0000 173.0617 55 K 4.6376 8.2953 120.7181 55.4176 32.7806 185.0000 56 Q 4.2866 9.5150 114.3028 56.8064 29.2286 177.8421 *57 H 5.1218 8.5019 115.1844 54.4973 31.7429 175.8964 58 V 4.6065 7.9618 118.6542 59.7505 33.6874 175.3403 59 P 4.8274 0.0000 0.0000 60.3437 29.1560 177.5666 60 V 3.2296 9.1474 129.2180 61.8596 29.7849 173.6379 *61 Y 4.3498 8.4128 128.9383 56.6367 36.3918 172.7419 62 I 3.9306 8.4222 128.3516 60.1203 37.1232 173.9068 63 T 5.5715 8.6247 119.6777 61.5777 71.6782 175.7657 64 E 4.5951 9.2935 119.6288 57.7751 30.5320 175.5150 65 N 4.9781 7.9466 116.6308 54.4692 40.4413 181.3837 66 M 4.1873 8.1871 114.8584 56.3609 31.8922 181.5030 67 V 3.9738 6.9069 115.2556 62.3660 32.4795 181.7412 68 G 4.3463 9.3010 112.1094 46.3958 0.0000 173.3324 *69 H 4.9367 7.6175 120.8737 53.8951 29.4769 182.0375 70 K 4.3827 8.3820 122.6423 57.1703 36.3144 173.9586 71 L 4.4352 10.3246 113.6348 57.0347 42.2065 173.0497 72 G 3.8066 9.2175 106.2869 45.1878 0.0000 169.9641 73 E 3.6105 8.5737 124.1086 58.2771 26.4976 171.1343 *74 F 5.6543 7.9888 135.0000 57.2619 38.1444 172.2598 75 A 4.3752 7.2707 121.6624 52.8970 20.1918 175.0034 76 P 4.3322 0.0000 0.0000 64.4127 30.4082 180.8522 77 T 4.3963 8.6582 118.0855 61.7453 69.8237 171.5891 78 R 4.7124 7.5477 120.7321 57.4954 29.6909 184.6563 79 T 3.9485 9.1201 111.7533 64.3686 73.4286 173.7408 *80 Y 3.9014 8.7041 116.4729 59.2989 36.8509 165.7031 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 8 G 8.45 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 0.00 0.00 0.00 9 V 8.53 4.17 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 0.74 0.00 0.00 0.93 0.00 0.00 *10 F 8.41 4.78 0.00 2.28 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 0.00 0.00 0.00 11 V 7.70 4.24 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 0.78 0.00 0.00 0.93 0.00 0.00 12 D 8.48 4.44 0.00 2.60 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 13 D 8.67 4.96 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *14 H 7.77 4.64 0.00 2.76 3.00 0.00 7.16 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.45 4.31 0.00 1.81 1.70 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.84 4.68 0.00 1.64 1.69 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.54 4.34 0.00 1.94 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 2.24 2.19 0.00 18 K 8.16 4.53 0.00 1.76 1.84 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.06 7.81 19 V 7.28 4.00 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 0.72 0.00 0.00 0.93 0.00 0.00 20 L 8.41 4.43 0.00 1.60 1.71 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.88 4.29 0.00 2.16 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 2.24 2.19 0.00 22 L 7.56 4.47 0.00 1.47 1.71 0.92 0.70 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 23 N 8.63 4.81 0.00 2.77 2.76 0.00 0.00 6.94 7.43 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 24 A 7.58 4.70 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 25 K 8.29 4.29 0.00 1.81 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.31 7.81 26 G 8.43 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.23 0.00 2.00 1.75 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 2.21 1.87 0.00 28 K 8.37 4.55 0.00 1.75 1.66 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 0.97 7.81 29 R 7.60 4.46 0.00 1.50 1.88 0.00 3.18 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 30 L 8.39 5.15 0.00 1.40 1.46 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.46 4.43 1.87 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 1.20 0.59 0.91 0.00 0.00 32 K 8.69 4.80 0.00 1.51 1.59 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 0.98 7.81 33 T 8.34 4.88 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 *34 W 8.67 5.03 0.00 2.44 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 0.00 0.00 0.00 0.00 35 S 7.98 4.87 0.00 3.62 3.50 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 36 R 9.09 4.25 0.00 1.79 1.51 0.00 3.24 0.00 0.00 3.26 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.00 37 R 9.09 4.30 0.00 1.82 1.79 0.00 3.24 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 38 S 8.07 4.22 0.00 3.62 3.72 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 39 T 8.37 4.85 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 40 I 7.81 4.37 1.87 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 1.09 1.13 0.91 0.00 0.00 41 V 8.17 4.61 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 0.70 0.00 0.00 0.93 0.00 0.00 42 P 0.00 4.37 0.00 1.99 2.10 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.60 0.00 43 E 8.26 4.24 0.00 1.98 1.89 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 2.23 1.87 0.00 44 M 8.26 4.54 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.34 0.00 45 V 7.22 4.56 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 0.78 0.00 0.00 0.93 0.00 0.00 46 G 7.73 4.64 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 *47 H 7.98 4.78 0.00 2.71 2.78 0.00 7.20 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.30 4.27 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 49 I 8.01 4.34 1.87 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 1.23 1.35 0.91 0.00 0.00 50 A 7.60 4.67 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 51 V 7.73 3.87 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 0.71 0.00 0.00 0.93 0.00 0.00 *52 Y 8.20 4.77 0.00 2.28 2.02 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 53 N 8.35 5.17 0.00 2.68 2.66 0.00 0.00 6.57 7.51 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 54 G 7.43 5.21 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 0.00 0.00 0.00 0.00 55 K 8.30 4.64 0.00 1.72 1.17 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 0.98 7.81 56 Q 9.51 4.29 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.75 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 *57 H 8.50 5.12 0.00 2.87 2.81 0.00 7.11 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.96 4.61 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 0.90 0.00 0.00 0.93 0.00 0.00 59 P 0.00 4.83 0.00 2.08 1.14 0.00 3.73 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.53 0.00 60 V 9.15 3.23 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 0.82 0.00 0.00 0.93 0.00 0.00 *61 Y 8.41 4.35 0.00 2.09 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 0.00 0.00 0.00 0.00 62 I 8.42 3.93 1.87 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 1.20 0.54 0.91 0.00 0.00 63 T 8.62 5.57 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 64 E 9.29 4.60 0.00 1.95 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 2.12 1.83 0.00 65 N 7.95 4.98 0.00 2.58 2.77 0.00 0.00 6.98 7.66 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 66 M 8.19 4.19 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.10 0.00 67 V 6.91 3.97 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 0.85 0.00 0.00 0.93 0.00 0.00 68 G 9.30 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 0.00 0.00 0.00 0.00 *69 H 7.62 4.94 0.00 2.78 1.94 0.00 7.26 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.38 4.38 0.00 1.73 1.61 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.10 0.81 7.81 71 L 10.32 4.44 0.00 1.65 1.59 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 72 G 9.22 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.57 3.61 0.00 2.16 1.89 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 2.12 1.85 0.00 *74 F 7.99 5.65 0.00 2.41 2.29 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 75 A 7.27 4.38 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.01 1.98 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.58 0.00 77 T 8.66 4.40 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 78 R 7.55 4.71 0.00 1.80 0.89 0.00 3.31 0.00 0.00 3.26 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 79 T 9.12 3.95 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 *80 Y 8.70 3.90 0.00 2.48 2.15 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 * Residues marked with a * may have inaccurate shift predictions.