NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *12 F 4.5761 8.1827 115.8441 56.9044 38.9008 173.2333 13 S 4.6223 8.0623 115.3926 56.4130 65.4827 168.1366 14 V 4.3063 9.5764 127.7030 61.2625 34.7671 173.1198 15 N 5.4825 8.8340 124.9768 51.6592 40.7687 174.2997 16 L 4.8242 8.9223 122.1371 52.8825 46.2217 175.3802 17 D 4.7921 8.7434 122.6935 53.4151 41.6792 175.8620 18 V 4.7750 8.6819 119.4073 60.8298 33.0174 177.9350 19 K 3.8800 7.7811 120.0197 59.6801 32.1053 176.9572 20 H 4.6453 8.1671 114.4701 55.3799 29.3055 174.2088 21 F 4.9498 8.1772 119.2787 55.4808 41.4092 175.4389 22 S 4.7034 9.6758 120.3985 56.5403 64.4133 173.6048 23 P 4.3736 0.0000 0.0000 65.4751 31.2831 178.8363 24 E 3.9769 8.2510 115.1637 58.9649 29.4827 177.4030 25 E 4.3790 8.8868 117.9760 56.6418 30.0606 175.3496 26 L 5.0486 7.3977 119.2937 52.7334 44.3213 176.1893 27 K 4.6114 8.6895 120.6502 55.3176 36.0890 174.9853 28 V 4.9022 8.4941 123.5667 61.1042 33.7454 174.7815 29 K 4.6175 8.7964 126.1274 54.6464 36.3033 175.5201 30 V 4.3474 8.5741 125.1096 62.1643 31.9472 175.6915 31 L 4.5396 8.6804 130.2653 53.5549 42.4934 178.1269 32 G 4.0182 8.0643 117.2001 47.0104 0.0000 172.4004 33 D 4.6811 8.7748 125.7636 53.9802 41.0218 174.9420 34 V 4.9689 7.4116 119.2914 60.9789 34.6663 174.5104 35 I 4.3927 8.6795 129.4176 61.2298 38.2592 174.6512 36 E 5.0063 9.1166 127.7974 54.9083 31.6701 175.3530 37 V 4.8105 8.9260 124.6484 61.3872 34.2926 173.5535 38 H 4.9061 9.1462 128.2231 54.1943 32.8391 172.8808 39 G 3.4142 7.0200 110.9813 44.2443 0.0000 171.3094 40 K 5.3197 8.4413 124.1065 55.8560 36.1836 174.5868 41 H 4.9321 9.1644 123.4198 55.2612 31.9686 173.9087 42 E 4.6540 9.1417 123.5397 56.2870 30.8299 173.6329 43 E 4.2973 8.6136 116.4014 58.7988 30.3734 177.3105 44 R 4.6111 8.2366 120.0195 54.9586 34.0920 174.0165 45 Q 4.2031 8.7571 126.8484 56.2587 30.1743 174.9914 46 D 4.4675 8.4908 121.5854 52.4871 41.7429 174.0746 47 E 4.0399 9.0343 115.8639 60.4194 29.2532 177.7853 48 H 4.5651 8.8294 113.7737 55.7952 30.6054 174.4308 49 G 4.0649 6.0560 109.1925 44.8501 0.0000 174.4798 50 F 5.2606 8.1503 123.5482 55.6349 42.1574 173.5168 51 I 4.3239 8.3492 118.5323 60.4491 41.6996 173.4310 52 S 5.1398 8.8304 124.0790 57.0834 65.7158 173.4494 53 R 4.8292 8.0558 118.0340 55.1813 34.7583 173.7617 54 E 5.4597 8.7543 121.3908 55.3315 33.0397 173.9727 55 F 5.0202 8.7082 118.8377 56.2756 41.8121 172.9139 56 H 5.0100 8.9547 120.3272 55.0696 31.9544 171.8861 57 R 4.5951 9.1137 126.9806 54.5869 32.3843 175.0528 58 K 5.0347 8.1222 123.6560 54.9562 35.5449 175.0520 59 Y 4.8965 8.9190 122.7072 56.2651 40.9124 175.1740 60 R 4.7979 8.6106 121.8683 55.3684 31.5561 176.0974 61 I 4.0125 8.4956 117.7235 59.2006 39.0484 176.4041 62 P 4.3729 0.0000 0.0000 62.2822 30.9332 177.0563 63 A 4.0761 9.7713 126.4886 53.4626 17.6461 182.9918 64 D 4.6573 7.9302 115.1675 52.2099 38.4055 176.6465 65 V 4.0741 6.8661 115.0120 62.6132 34.2715 170.0977 66 D 5.1527 9.0154 133.9388 53.7735 43.8578 174.0593 67 P 4.6225 0.0000 0.0000 62.4926 31.3493 174.9973 68 L 3.4755 8.8772 117.9434 59.3877 43.0126 182.3020 69 T 3.4621 7.5530 105.0538 63.0587 71.4946 173.0412 70 I 4.3853 8.3684 128.3862 60.9522 37.7281 175.3454 71 T 4.9128 9.2427 116.2936 60.1212 72.8662 172.2971 72 S 5.2272 8.2948 115.6539 57.1632 66.9844 173.1403 73 S 4.4427 8.9843 112.6756 57.3887 66.1275 172.9356 74 L 4.9370 8.5713 130.2092 53.3042 43.0286 176.1985 75 S 4.4211 8.7242 122.1260 58.2382 63.7540 174.8284 76 S 4.6047 8.4782 114.1948 58.6066 63.1874 173.9917 77 D 4.7181 8.0472 119.8204 53.4979 39.6211 177.1469 78 G 3.8790 7.9207 105.6875 46.2537 0.0000 173.3096 79 V 4.4999 7.7146 120.7781 61.8539 32.8666 174.6701 80 L 5.0046 8.8191 130.2829 54.2662 44.0242 175.2185 81 T 5.1950 8.6720 121.2112 61.7797 72.9446 172.9832 82 V 4.9119 8.6777 124.7492 61.0310 35.1375 175.0626 83 N 5.1301 9.2260 124.4888 53.2430 37.4244 174.1909 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 *12 F 8.18 4.58 0.00 2.53 2.46 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 13 S 8.06 4.62 0.00 3.90 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 14 V 9.58 4.31 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.61 0.00 0.00 15 N 8.83 5.48 0.00 2.62 2.70 0.00 0.00 6.93 7.85 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 16 L 8.92 4.82 0.00 1.61 1.50 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.74 4.79 0.00 2.67 2.59 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 18 V 8.68 4.77 2.31 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 0.85 0.00 0.00 1.07 0.00 0.00 19 K 7.78 3.88 0.00 1.88 2.07 0.00 1.52 0.00 0.00 1.83 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.19 7.81 20 H 8.17 4.65 0.00 2.71 2.96 0.00 5.84 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.18 4.95 0.00 3.29 3.07 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 0.00 22 S 9.68 4.70 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.23 2.17 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 24 E 8.25 3.98 0.00 2.35 2.12 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 2.28 1.91 0.00 25 E 8.89 4.38 0.00 2.39 2.50 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 2.39 2.35 0.00 26 L 7.40 5.05 0.00 1.50 1.52 1.01 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.69 4.61 0.00 1.85 1.81 0.00 1.39 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.24 7.81 28 V 8.49 4.90 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 0.87 0.00 0.00 0.96 0.00 0.00 29 K 8.80 4.62 0.00 1.69 1.64 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.49 7.81 30 V 8.57 4.35 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 0.85 0.00 0.00 0.95 0.00 0.00 31 L 8.68 4.54 0.00 1.76 1.59 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.06 4.02 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 0.00 0.00 0.00 33 D 8.77 4.68 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.41 4.97 2.21 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 1.03 0.00 0.00 0.94 0.00 0.00 35 I 8.68 4.39 2.12 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 1.27 0.49 1.08 0.00 0.00 36 E 9.12 5.01 0.00 1.97 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 2.27 2.27 0.00 37 V 8.93 4.81 2.32 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 1.08 0.00 0.00 1.16 0.00 0.00 38 H 9.15 4.91 0.00 2.95 2.91 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.02 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.44 5.32 0.00 1.57 1.65 0.00 1.88 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.55 7.81 41 H 9.16 4.93 0.00 3.40 3.45 0.00 5.33 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.14 4.65 0.00 1.78 1.78 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 0.00 2.23 1.88 0.00 43 E 8.61 4.30 0.00 1.74 1.80 0.00 0.00 0.00 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 1.92 0.00 44 R 8.24 4.61 0.00 1.79 1.83 0.00 2.93 0.00 0.00 2.99 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 45 Q 8.76 4.20 0.00 1.93 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.43 0.00 0.00 0.00 0.00 0.00 1.85 1.16 0.00 46 D 8.49 4.47 0.00 2.65 2.53 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 0.00 47 E 9.03 4.04 0.00 2.14 2.14 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 2.29 2.33 0.00 48 H 8.83 4.57 0.00 3.10 3.38 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 6.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 5.26 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 4.32 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.96 1.03 0.00 0.00 52 S 8.83 5.14 0.00 3.96 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 53 R 8.06 4.83 0.00 1.75 1.97 0.00 2.86 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.38 0.00 54 E 8.75 5.46 0.00 1.97 1.81 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 2.20 2.43 0.00 55 F 8.71 5.02 0.00 3.07 3.14 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 56 H 8.95 5.01 0.00 3.09 3.21 0.00 5.90 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 9.11 4.60 0.00 2.03 1.94 0.00 2.94 0.00 0.00 2.76 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.98 0.00 58 K 8.12 5.03 0.00 1.51 1.60 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.25 7.81 59 Y 8.92 4.90 0.00 2.84 2.81 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 60 R 8.61 4.80 0.00 1.72 1.88 0.00 3.26 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 61 I 8.50 4.01 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.91 0.92 0.00 0.00 62 P 0.00 4.37 0.00 2.05 2.13 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 63 A 9.77 4.08 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 64 D 7.93 4.66 0.00 2.79 2.78 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 0.00 0.00 0.00 0.00 65 V 6.87 4.07 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 0.92 0.00 0.00 66 D 9.02 5.15 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.62 0.00 2.08 2.04 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 68 L 8.88 3.48 0.00 1.68 1.60 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.55 3.46 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 1.30 0.00 0.00 70 I 8.37 4.39 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.81 0.97 0.00 0.00 71 T 9.24 4.91 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 72 S 8.29 5.23 0.00 3.96 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.98 4.44 0.00 3.87 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.57 4.94 0.00 1.69 1.59 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.72 4.42 0.00 4.07 3.99 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 0.00 0.00 0.00 76 S 8.48 4.60 0.00 4.00 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 77 D 8.05 4.72 0.00 2.77 2.78 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 0.00 0.00 0.00 0.00 78 G 7.92 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 79 V 7.71 4.50 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 0.90 0.00 0.00 0.94 0.00 0.00 80 L 8.82 5.00 0.00 1.87 1.55 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.67 5.20 4.38 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 1.19 0.00 0.00 82 V 8.68 4.91 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 0.97 0.00 0.00 0.94 0.00 0.00 83 N 9.23 5.13 0.00 2.76 2.92 0.00 0.00 6.93 7.27 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 * Residues marked with a * may have inaccurate shift predictions.