NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 38 K 4.1623 8.3144 121.7528 56.3737 34.0385 176.0551 39 S 4.1589 7.7322 112.2068 58.4084 63.0627 171.6591 40 C 5.2566 9.5884 122.5644 59.6821 31.2564 172.4570 41 T 5.1890 8.4945 116.4515 61.7677 71.2735 173.0705 42 L 5.2308 8.9764 125.7573 53.0872 45.1111 175.5637 43 Y 4.3053 9.1832 120.7388 57.6755 39.6860 174.6562 44 V 4.8866 9.0589 122.7837 61.1393 34.6484 174.6700 45 G 4.1422 9.2624 114.3582 44.8374 0.0000 172.3502 46 N 4.4743 8.2948 115.4650 53.9189 37.3078 174.1379 47 L 4.1593 7.6179 116.8932 53.7134 42.3053 177.2900 48 S 4.6084 8.4343 116.9180 57.9595 63.7981 175.0246 49 F 4.0419 8.9451 123.3875 61.4911 39.1452 175.4968 50 Y 4.2430 7.7553 114.8075 58.0984 37.9994 175.7681 51 T 4.2329 7.5305 118.6547 63.7543 69.0786 174.5839 52 T 4.5816 8.8809 117.0920 59.7371 72.4572 175.1801 53 E 3.9019 8.6940 122.3820 59.8686 29.5311 179.0033 54 E 4.1005 8.2678 117.7328 59.7797 29.6071 179.3368 55 Q 4.1079 7.9413 117.7007 58.9912 28.7583 178.7989 56 I 3.9183 8.2046 121.2320 64.4501 37.1218 177.9627 57 Y 3.9227 8.6015 118.0224 61.0579 37.5408 178.3738 58 E 4.0015 8.1747 118.5690 59.2366 30.1503 178.3926 59 L 4.0891 8.1106 120.1333 58.4375 42.3925 178.9759 60 F 4.2084 8.6514 117.1490 59.9318 38.9391 177.5261 61 S 5.1825 8.1923 115.8577 60.0606 62.3927 176.1531 62 K 4.2140 8.0369 120.9550 58.2796 31.8824 178.1558 63 S 4.7157 9.0648 112.8066 57.7375 64.2233 174.1605 64 G 4.3218 6.9334 109.3825 44.6011 0.0000 171.0558 65 D 4.9926 8.4563 119.9878 54.0665 41.3241 175.7157 66 I 3.8291 8.4077 125.5054 60.6966 37.5601 175.8553 67 K 3.3278 8.6328 129.7589 58.6740 32.4880 176.8708 68 K 4.6128 7.3728 119.1977 55.0980 35.7718 173.9155 69 I 4.7400 8.2134 126.1534 59.4201 40.0563 174.7864 70 I 4.4493 8.5602 127.7892 59.5599 39.5638 174.9114 71 M 4.2645 8.6402 127.7586 56.5759 32.6502 177.2462 72 G 3.8891 9.0011 109.8774 44.3288 0.0000 172.9255 73 L 4.7452 8.2680 115.7266 54.3811 43.8290 175.8528 74 D 4.6754 8.0760 118.6788 53.0554 41.4815 175.9849 75 K 4.0615 8.6149 126.8979 59.2042 32.4016 177.7852 76 M 4.2173 7.9655 115.5945 55.9736 32.1753 176.2661 *81 C 4.3882 7.9470 113.6104 57.4551 31.4003 175.4720 82 G 3.8666 8.2522 108.7675 46.3891 0.0000 173.0751 83 F 5.6225 7.1912 117.7568 56.1592 42.7692 173.9826 84 C 5.3068 8.4964 114.1011 58.5426 33.4726 172.3546 85 F 5.1586 9.1401 118.3377 55.5585 41.9042 174.7558 86 V 4.3438 8.5676 122.8925 60.8826 34.1763 173.5308 87 E 4.9688 8.9991 129.4318 54.7345 31.5734 174.7604 88 Y 4.7372 8.9295 125.0268 56.9695 39.5425 175.5405 89 Y 4.4590 8.4940 119.0036 60.0872 38.4030 176.6421 90 S 4.9017 8.1663 112.2407 55.5629 66.3870 174.7353 91 R 4.0116 8.8194 121.7875 59.7420 29.8278 178.5840 92 A 4.3078 8.0227 121.3276 54.8960 17.9659 179.2414 93 D 4.2804 7.8821 115.8151 57.2551 40.9163 178.8829 94 A 3.4506 7.4947 121.0245 54.8265 18.1612 179.5781 95 E 4.1657 8.5048 117.3588 59.8322 29.6004 179.3880 96 N 4.3622 8.3530 116.1581 55.9430 38.4378 177.4201 97 A 3.9370 7.5651 122.1499 55.3480 18.2552 179.5913 98 M 3.8278 7.4772 116.0076 58.3484 31.9722 178.8972 99 R 3.7762 7.3833 117.6115 58.2803 30.2487 177.0590 100 Y 4.8270 7.5782 113.5054 58.2684 40.8377 177.1019 101 I 3.8346 7.6946 119.9797 63.3663 37.8378 175.5181 102 N 4.1895 7.7281 117.2200 55.5768 38.8590 174.6818 103 G 3.8822 9.2142 113.4933 45.7809 0.0000 172.4264 104 T 4.6525 7.6212 110.0328 59.5589 71.5409 172.8765 105 R 5.0711 8.1492 119.3931 54.8413 32.0615 176.0169 106 L 4.5151 8.5084 121.9918 54.8841 45.1275 175.6249 107 D 4.3674 9.6443 125.3976 55.5014 39.6154 172.9655 108 D 4.4122 8.3577 112.0689 54.5308 40.3244 172.3434 109 R 4.6886 7.7122 116.6091 54.3886 32.8182 175.6173 110 I 4.4508 8.3595 124.2198 61.3991 37.4621 175.7429 111 I 4.4942 8.6619 121.7469 60.0389 39.9420 175.0101 112 R 5.3159 8.8550 121.6094 54.7178 33.9633 174.6333 113 T 5.6649 8.8175 111.4748 59.4460 72.3820 172.3844 114 D 4.6042 8.1470 118.6242 52.7681 44.7084 174.3829 115 W 4.5381 8.8552 124.7917 57.0977 29.6234 176.6909 116 D 4.8544 9.1285 126.8868 53.0592 38.7577 176.1445 117 A 4.2816 8.1450 124.7276 51.9635 18.7247 177.7334 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 38 K 8.31 4.16 0.00 1.64 1.82 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.34 7.81 39 S 7.73 4.16 0.00 3.99 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 9.59 5.26 0.00 2.96 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 41 T 8.49 5.19 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 42 L 8.98 5.23 0.00 1.49 1.47 0.92 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 9.18 4.31 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 9.06 4.89 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 1.09 0.00 0.00 0.56 0.00 0.00 45 G 9.26 4.14 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 0.00 46 N 8.29 4.47 0.00 2.78 2.99 0.00 0.00 7.03 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 47 L 7.62 4.16 0.00 1.76 1.54 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.43 4.61 0.00 4.11 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 49 F 8.95 4.04 0.00 2.97 3.24 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 0.00 50 Y 7.76 4.24 0.00 3.06 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.53 4.23 4.37 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 1.24 0.00 0.00 52 T 8.88 4.58 4.44 0.00 0.00 0.00 0.00 0.00 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 53 E 8.69 3.90 0.00 2.08 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 2.71 2.50 0.00 54 E 8.27 4.10 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 55 Q 7.94 4.11 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 56 I 8.20 3.92 1.96 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 1.57 0.83 0.64 0.00 0.00 57 Y 8.60 3.92 0.00 3.25 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 58 E 8.17 4.00 0.00 2.04 2.22 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 2.37 2.42 0.00 59 L 8.11 4.09 0.00 1.85 1.76 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.65 4.21 0.00 3.25 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.19 5.18 0.00 4.08 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 62 K 8.04 4.21 0.00 1.88 1.88 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.64 7.81 63 S 9.06 4.72 0.00 4.06 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 64 G 6.93 4.32 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 0.00 65 D 8.46 4.99 0.00 3.10 2.89 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 66 I 8.41 3.83 1.90 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.43 0.52 0.00 0.00 67 K 8.63 3.33 0.00 0.79 1.47 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.18 0.95 7.81 68 K 7.37 4.61 0.00 1.71 1.41 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 1.43 7.81 69 I 8.21 4.74 1.55 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.02 0.72 0.00 0.00 70 I 8.56 4.45 1.97 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.68 1.01 0.00 0.00 71 M 8.64 4.26 0.00 1.86 1.98 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 2.47 0.00 72 G 9.00 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 73 L 8.27 4.75 0.00 1.62 1.76 0.33 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.08 4.68 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 75 K 8.61 4.06 0.00 1.64 1.68 0.00 1.44 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.05 7.81 76 M 7.97 4.22 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 *81 C 7.95 4.39 0.00 3.27 3.27 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 0.00 82 G 8.25 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 83 F 7.19 5.62 0.00 3.03 2.72 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 84 C 8.50 5.31 0.00 3.01 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 85 F 9.14 5.16 0.00 2.89 2.73 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 0.00 0.00 0.00 0.00 86 V 8.57 4.34 1.66 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 0.26 0.00 0.00 0.05 0.00 0.00 87 E 9.00 4.97 0.00 1.86 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 88 Y 8.93 4.74 0.00 2.97 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 89 Y 8.49 4.46 0.00 3.00 3.06 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 90 S 8.17 4.90 0.00 4.03 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.82 4.01 0.00 1.99 2.01 0.00 3.36 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 92 A 8.02 4.31 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 93 D 7.88 4.28 0.00 2.77 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 94 A 7.49 3.45 1.55 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 0.00 0.00 95 E 8.50 4.17 0.00 2.29 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 2.75 2.88 0.00 96 N 8.35 4.36 0.00 2.74 3.04 0.00 0.00 6.95 6.67 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 97 A 7.57 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.48 3.83 0.00 1.86 2.11 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.07 0.00 99 R 7.38 3.78 0.00 0.67 0.66 0.00 3.11 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.62 0.00 100 Y 7.58 4.83 0.00 2.99 2.87 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 0.00 101 I 7.69 3.83 1.67 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.72 -0.18 0.00 0.00 102 N 7.73 4.19 0.00 2.66 2.84 0.00 0.00 7.38 8.23 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 0.00 103 G 9.21 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 0.00 104 T 7.62 4.65 4.21 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 1.27 0.00 0.00 105 R 8.15 5.07 0.00 1.81 1.88 0.00 3.18 0.00 0.00 3.45 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 106 L 8.51 4.52 0.00 1.69 1.49 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 107 D 9.64 4.37 0.00 2.82 2.71 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 0.00 0.00 0.00 0.00 108 D 8.36 4.41 0.00 2.82 2.72 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 0.00 109 R 7.71 4.69 0.00 1.79 1.79 0.00 3.20 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 110 I 8.36 4.45 1.86 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 1.39 0.46 0.87 0.00 0.00 111 I 8.66 4.49 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.19 0.98 0.00 0.00 112 R 8.86 5.32 0.00 1.71 1.81 0.00 3.22 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 113 T 8.82 5.66 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 1.41 0.00 0.00 114 D 8.15 4.60 0.00 2.79 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 W 8.86 4.54 0.00 3.34 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 0.00 116 D 9.13 4.85 0.00 2.45 2.72 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 0.00 117 A 8.14 4.28 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 * Residues marked with a * may have inaccurate shift predictions.