NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.2641 8.1844 122.4873 54.4542 43.8955 176.5521 6 D 4.6746 8.0602 115.0650 53.9553 43.2935 173.2643 7 P 4.9659 0.0000 0.0000 62.0663 33.0177 175.6452 8 V 4.4651 7.4870 115.7015 62.9357 34.1673 175.8119 9 Q 4.2204 8.1779 116.3267 57.0574 28.6948 176.2076 10 K 4.7235 7.8536 115.3656 56.0629 34.0473 176.8705 11 L 4.2513 7.7706 118.0855 56.6329 41.8717 178.0577 12 F 4.7233 8.4184 112.4737 56.9019 37.9925 176.0146 13 V 3.9044 7.4536 119.8113 63.2573 32.6532 176.3150 14 D 4.6945 7.8351 117.2472 55.6673 40.2023 176.6763 15 K 4.5862 7.9036 117.5112 56.3181 33.3828 177.1393 16 I 4.8083 7.3616 117.7185 61.0538 38.9895 176.4090 17 R 4.2390 8.0368 118.2891 56.7600 30.7094 176.3661 18 E 4.4884 8.0234 116.5698 58.0374 31.6798 177.3828 19 Y 3.9662 7.4452 119.7268 60.6000 39.2447 178.8191 20 R 4.0411 7.8829 118.7052 59.6564 30.3649 178.4129 21 T 4.0091 7.5678 108.0723 62.4521 67.0183 173.6632 22 K 4.3476 8.0151 119.7921 57.9873 33.8915 179.1104 23 R 4.4959 7.4040 112.8121 56.3673 28.9644 177.2887 24 Q 4.3969 8.1684 117.0601 57.8695 32.4581 176.3041 25 T 4.1197 7.6832 114.1534 63.8054 66.1033 174.0885 26 S 4.3466 7.8571 121.8796 58.1247 63.9746 173.8958 27 G 3.7485 9.4566 108.7185 44.9744 0.0000 173.7635 28 G 4.0682 8.4855 106.9078 42.7772 0.0000 172.3223 29 P 3.9465 0.0000 0.0000 62.4630 31.5620 176.9584 30 V 3.4330 8.3153 116.5883 63.1543 32.2332 175.9494 31 D 4.3499 8.6190 121.0965 55.4933 38.8183 175.9035 32 A 3.6607 7.4223 122.6638 55.1136 17.1641 180.0738 33 G 3.9609 7.7695 102.1384 44.0768 0.0000 172.7893 34 P 4.3093 0.0000 0.0000 66.1614 31.8565 179.0943 35 E 3.8692 8.2909 117.4198 59.7792 29.5997 178.7500 36 Y 4.1693 7.3517 117.9523 61.0791 39.2224 178.2428 37 Q 4.0685 8.6255 119.9439 59.1124 29.1083 177.3221 38 Q 4.3054 8.0173 119.7808 58.9015 28.7972 179.2755 39 D 4.4091 7.7102 118.0272 57.2274 40.5541 178.3098 40 L 4.4236 7.3692 117.2831 55.1650 42.0654 177.5774 41 D 4.7058 8.2237 119.3538 55.7377 44.4787 178.4960 42 R 3.8967 7.9517 117.9520 59.5674 29.8275 178.3598 43 E 4.2284 8.1964 114.1636 57.2079 29.3578 177.6224 44 L 4.3456 7.6727 120.6854 55.3623 43.2562 177.2642 45 F 4.2290 8.2236 121.3643 60.7953 39.8072 177.6908 46 K 4.2604 8.2244 119.3933 59.7688 32.5059 178.4492 47 L 4.3420 7.4370 118.2024 56.1028 41.7772 177.1892 48 K 4.4109 8.2250 119.6404 56.3149 31.9708 176.1195 49 Q 4.5327 7.9039 115.4032 55.8842 29.2330 177.4413 *51 Y 4.4477 8.1213 116.2575 56.9886 39.8504 176.0448 52 G 3.8633 5.8892 103.2335 45.6166 0.0000 172.0052 53 K 4.3859 8.0083 118.1384 55.6335 34.1930 176.7404 54 A 4.2101 7.5596 121.9957 51.3437 20.1052 175.9645 55 D 4.5170 8.1316 116.2636 53.8355 42.5083 176.2706 *57 N 4.7039 8.4145 115.9782 52.8984 40.3134 175.0847 58 T 4.5315 7.5666 113.1550 61.5733 70.5917 173.5819 59 F 4.3530 8.5446 125.5341 56.6415 39.9868 173.7183 60 P 4.2325 0.0000 0.0000 62.1607 31.6624 176.6003 61 N 4.7499 8.3728 120.1585 52.7480 38.2229 174.1021 62 F 4.0527 8.2096 116.5624 56.3426 41.1886 174.3959 63 T 4.0450 7.8631 122.6853 62.6517 69.2353 174.5377 64 F 5.1978 8.3370 122.8011 55.6714 42.6529 173.9994 65 E 4.7439 8.4907 121.2386 54.3055 32.5429 174.8918 66 D 4.5818 8.5499 124.5048 53.3773 41.6547 174.0214 67 P 4.3161 0.0000 0.0000 61.7081 31.8593 176.8664 68 K 4.1712 8.0308 123.3236 56.2934 33.0817 175.7919 69 F 4.9352 8.2024 116.4176 56.9800 42.8474 174.4808 70 E 4.3275 8.9440 123.2201 56.5604 29.5692 175.8776 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 5 L 8.18 4.26 0.00 1.60 1.73 0.89 0.76 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 6 D 8.06 4.67 0.00 2.70 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 7 P 0.00 4.97 0.00 2.07 2.04 0.00 3.69 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 1.94 2.04 0.00 8 V 7.49 4.47 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 1.01 0.00 0.00 0.93 0.00 0.00 9 Q 8.18 4.22 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.19 2.41 0.00 10 K 7.85 4.72 0.00 1.75 1.85 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.49 7.81 11 L 7.77 4.25 0.00 1.83 1.76 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.42 4.72 0.00 3.15 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 13 V 7.45 3.90 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.85 0.00 0.00 14 D 7.84 4.69 0.00 2.84 2.69 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 15 K 7.90 4.59 0.00 1.67 1.76 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.53 7.81 16 I 7.36 4.81 1.69 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.77 0.00 0.00 17 R 8.04 4.24 0.00 1.78 1.96 0.00 3.14 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 18 E 8.02 4.49 0.00 1.98 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 2.29 2.20 0.00 19 Y 7.45 3.97 0.00 3.30 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 20 R 7.88 4.04 0.00 2.01 1.97 0.00 3.18 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 21 T 7.57 4.01 4.23 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 0.00 0.00 0.00 1.35 0.00 0.00 22 K 8.02 4.35 0.00 1.77 1.65 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.16 1.19 7.81 23 R 7.40 4.50 0.00 1.83 1.75 0.00 3.15 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 24 Q 8.17 4.40 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.87 7.31 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 25 T 7.68 4.12 4.19 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 1.17 0.00 0.00 26 S 7.86 4.35 0.00 3.84 3.78 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 27 G 9.46 3.75 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 0.00 0.00 0.00 28 G 8.49 4.07 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 0.00 0.00 0.00 29 P 0.00 3.95 0.00 0.84 1.44 0.00 3.57 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 1.99 2.12 0.00 30 V 8.32 3.43 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 0.69 0.00 0.00 0.85 0.00 0.00 31 D 8.62 4.35 0.00 2.78 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 32 A 7.42 3.66 1.11 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 0.00 0.00 33 G 7.77 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.31 0.00 2.21 2.12 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 35 E 8.29 3.87 0.00 2.13 2.04 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 2.43 2.43 0.00 36 Y 7.35 4.17 0.00 2.96 3.05 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 37 Q 8.63 4.07 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.45 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 38 Q 8.02 4.31 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 39 D 7.71 4.41 0.00 2.69 2.67 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 0.00 0.00 0.00 0.00 40 L 7.37 4.42 0.00 1.67 1.55 0.67 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.22 4.71 0.00 2.76 2.64 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 42 R 7.95 3.90 0.00 1.84 1.96 0.00 3.10 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 43 E 8.20 4.23 0.00 2.02 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 0.00 2.41 2.29 0.00 44 L 7.67 4.35 0.00 1.72 1.83 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.22 4.23 0.00 3.16 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 46 K 8.22 4.26 0.00 2.06 2.17 0.00 1.59 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.53 7.81 47 L 7.44 4.34 0.00 1.97 1.76 0.96 0.94 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 48 K 8.23 4.41 0.00 1.73 1.69 0.00 1.63 0.00 0.00 1.44 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.25 7.81 49 Q 7.90 4.53 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.17 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 *51 Y 8.12 4.45 0.00 2.89 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 52 G 5.89 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 0.00 0.00 0.00 53 K 8.01 4.39 0.00 1.64 1.69 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.32 7.81 54 A 7.56 4.21 1.18 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 0.00 0.00 55 D 8.13 4.52 0.00 2.62 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 *57 N 8.41 4.70 0.00 2.77 2.90 0.00 0.00 6.76 7.54 0.00 0.00 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 T 7.57 4.53 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 1.27 0.00 0.00 59 F 8.54 4.35 0.00 3.01 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 60 P 0.00 4.23 0.00 1.60 1.68 0.00 2.72 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 61 N 8.37 4.75 0.00 2.86 2.91 0.00 0.00 5.92 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 62 F 8.21 4.05 0.00 2.92 1.90 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 63 T 7.86 4.05 4.08 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 1.16 0.00 0.00 64 F 8.34 5.20 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 65 E 8.49 4.74 0.00 1.90 1.79 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 2.19 2.33 0.00 66 D 8.55 4.58 0.00 2.72 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 67 P 0.00 4.32 0.00 1.77 1.92 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 68 K 8.03 4.17 0.00 1.64 1.77 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.39 7.81 69 F 8.20 4.94 0.00 2.99 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 70 E 8.94 4.33 0.00 1.99 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 0.00 2.25 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.