NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0889 7.9127 120.6581 62.6993 33.4416 173.4704 3 L 4.8406 8.5564 129.3385 53.1337 43.5129 173.9919 4 L 4.7732 8.9386 126.9844 53.2085 44.9450 174.4980 5 E 4.2206 9.0717 119.9329 56.3572 31.0910 178.9898 6 S 3.4742 8.0325 120.3845 60.0563 64.1135 175.5274 7 E 3.9169 8.9409 119.8953 58.0374 29.2471 180.6786 8 Q 3.7970 7.5918 117.4479 58.1799 31.5528 178.0627 9 F 4.0855 8.1489 120.8851 61.6783 39.2785 177.3614 10 L 4.1234 9.3707 119.6156 58.0143 41.5976 179.6311 11 T 3.8849 7.8981 109.2518 64.8510 68.8219 176.1905 12 E 3.9045 8.2554 121.6620 58.8893 29.2345 179.0458 13 L 3.7689 7.8205 120.3779 58.4237 42.1337 178.9184 14 T 4.0536 8.2131 115.9607 66.8693 68.3382 176.4337 15 R 3.8945 7.8627 119.2264 59.5778 29.9571 178.8033 16 L 3.7190 7.5847 116.9654 58.2255 41.7741 179.6136 17 F 4.2273 7.9140 117.1205 60.6228 38.7440 177.9691 18 Q 4.1737 8.0277 116.4400 57.9256 28.4447 177.2859 19 K 4.5783 8.4148 119.9776 56.1286 32.6124 176.9525 20 C 5.0126 7.7568 109.8288 59.7372 32.1524 175.9655 21 R 4.0255 8.0973 120.9886 59.0830 29.8879 177.3565 22 T 4.1862 7.6979 113.0779 65.3479 69.2363 173.7909 23 S 4.3052 7.9678 113.2566 58.5455 65.8601 175.2496 24 G 4.2209 8.8145 108.0701 45.4658 0.0000 172.7825 25 S 4.5921 8.2243 113.7958 56.3928 65.5398 173.7147 26 V 4.1608 8.1004 124.4107 61.8131 31.9882 174.7245 27 Y 4.6035 9.1175 126.7851 57.5478 40.1080 175.2852 28 I 5.7879 8.4174 121.3473 61.3370 41.4954 174.2132 29 T 4.7555 8.7966 116.9590 59.7714 71.6895 172.5918 30 L 5.1240 8.3463 126.2447 53.7434 44.6012 175.1095 31 K 4.4543 8.0317 121.8722 55.1521 36.3227 174.1762 32 K 4.6022 8.8125 128.6313 56.6876 32.6128 175.2406 33 Y 4.7510 8.9932 128.7351 57.0986 41.5766 173.0877 34 D 4.2268 8.4062 120.2717 53.9726 41.2348 177.4721 35 G 3.6822 8.1203 111.3167 44.1261 0.0000 172.8259 *54 N 4.5259 7.9572 116.7378 53.2575 40.7584 173.3183 55 K 4.9817 8.3216 122.8805 55.0232 37.6054 174.5240 56 C 5.3310 8.9165 115.7475 56.6206 33.0375 172.6043 57 L 4.4816 9.4384 124.8747 53.7460 43.4008 174.6582 58 L 4.9689 8.4701 128.8604 53.3676 44.2521 175.0880 59 R 5.3570 8.8748 124.9115 54.4239 33.8403 174.7009 60 A 5.3166 9.5804 123.7316 50.8691 22.9040 175.1534 61 T 5.2576 8.9967 116.4704 62.8400 73.3455 174.2502 62 D 4.9793 8.2194 122.9713 52.0864 40.2727 176.6278 63 G 4.0532 8.2840 108.1329 45.5213 0.0000 174.0619 64 K 4.3101 8.0563 115.5152 57.2564 34.2550 175.7940 65 K 4.4657 8.6432 120.3824 54.8387 33.5238 175.2852 66 K 5.0393 8.1923 124.2138 54.9608 35.1876 175.3498 67 I 4.8652 8.4491 114.7684 60.3848 41.2452 173.4409 68 S 5.2729 9.0525 117.9713 58.4348 67.1067 172.1859 69 T 4.6670 8.4056 113.8161 61.0189 71.3025 172.2375 70 V 4.5158 7.9346 123.7571 61.0463 33.7329 174.5075 71 V 4.0363 8.0957 129.1846 61.4520 33.0342 175.0546 72 S 5.3923 8.5120 121.6774 55.3195 65.7727 175.1848 73 S 4.2013 8.7805 115.0393 61.1776 62.7192 176.0399 74 K 4.1394 7.4976 120.2179 58.3381 31.9900 177.2593 75 E 4.6783 8.1524 114.1448 55.0479 31.0144 177.8602 76 V 3.7038 8.0634 113.9361 65.1131 31.5921 177.8602 77 N 4.3673 8.1102 115.1789 56.4126 38.3541 177.4793 78 K 4.0314 8.0471 119.3337 59.3447 32.1399 179.1570 79 F 4.1271 8.7709 121.2740 61.6116 39.4833 177.3216 80 Q 4.1350 8.6629 117.9169 58.9083 28.1823 178.6543 81 M 3.9763 7.9765 118.9047 58.7468 32.2623 178.2026 82 A 3.9429 7.4968 120.4649 55.2142 18.6101 178.8697 83 Y 3.8644 7.9971 118.4973 60.7766 38.8174 178.4886 84 S 3.9617 8.1674 114.1158 61.2699 62.4697 175.8798 85 N 4.2471 7.7715 119.1637 56.0041 38.2588 176.9432 86 L 3.7660 7.9607 121.9768 58.3368 41.8931 179.1373 87 L 3.5899 7.4922 118.5735 57.7374 41.2389 179.8553 88 R 3.8166 7.5062 116.5779 58.8382 30.4072 178.6798 89 A 4.0512 8.0045 120.7824 55.1222 18.3637 179.3274 90 N 4.2824 7.6222 112.8180 55.5474 38.7447 175.8824 91 M 4.2807 7.1910 116.9933 54.8746 31.9388 176.2657 92 D 4.5460 7.3907 119.5366 53.0546 38.3472 176.0902 93 G 3.9746 7.9698 111.1514 46.0023 0.0000 171.5929 94 L 4.3798 7.8562 120.2844 53.0542 43.0654 176.9408 95 K 4.2316 8.4408 117.9166 57.0586 31.8503 176.7466 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 2 V 7.91 4.09 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 0.93 0.00 0.00 0.94 0.00 0.00 3 L 8.56 4.84 0.00 1.71 1.52 0.85 0.62 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 4 L 8.94 4.77 0.00 1.71 1.69 1.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 5 E 9.07 4.22 0.00 2.06 1.82 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 2.32 2.33 0.00 6 S 8.03 3.47 0.00 3.99 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 7 E 8.94 3.92 0.00 2.11 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 2.45 2.45 0.00 8 Q 7.59 3.80 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 9 F 8.15 4.09 0.00 3.25 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 10 L 9.37 4.12 0.00 1.80 1.79 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.90 3.88 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 1.24 0.00 0.00 12 E 8.26 3.90 0.00 2.00 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 2.50 2.46 0.00 13 L 7.82 3.77 0.00 1.33 1.78 0.85 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.21 4.05 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 1.23 0.00 0.00 15 R 7.86 3.89 0.00 2.12 1.97 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 16 L 7.58 3.72 0.00 1.50 1.46 0.82 0.70 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 17 F 7.91 4.23 0.00 3.30 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 18 Q 8.03 4.17 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.44 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 19 K 8.41 4.58 0.00 1.69 1.81 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.45 7.81 20 C 7.76 5.01 0.00 3.14 2.83 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 0.00 0.00 0.00 21 R 8.10 4.03 0.00 1.80 1.98 0.00 3.24 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 22 T 7.70 4.19 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 1.21 0.00 0.00 23 S 7.97 4.31 0.00 3.83 3.67 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 24 G 8.81 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 25 S 8.22 4.59 0.00 3.91 3.55 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 26 V 8.10 4.16 1.84 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 0.09 0.00 0.00 0.64 0.00 0.00 27 Y 9.12 4.60 0.00 3.03 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 28 I 8.42 5.79 2.02 0.00 0.00 1.13 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 0.80 1.18 0.00 0.00 29 T 8.80 4.76 4.30 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 1.31 0.00 0.00 30 L 8.35 5.12 0.00 1.71 1.62 0.90 0.62 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 31 K 8.03 4.45 0.00 1.83 1.56 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 1.35 7.81 32 K 8.81 4.60 0.00 1.83 1.73 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.39 7.81 33 Y 8.99 4.75 0.00 2.82 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 34 D 8.41 4.23 0.00 2.57 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 0.00 0.00 0.00 0.00 35 G 8.12 3.68 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 0.00 0.00 0.00 *54 N 7.96 4.53 0.00 2.79 2.71 0.00 0.00 6.80 6.52 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 55 K 8.32 4.98 0.00 1.72 1.73 0.00 1.63 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.38 7.81 56 C 8.92 5.33 0.00 3.05 2.96 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 57 L 9.44 4.48 0.00 1.38 1.44 0.59 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.47 4.97 0.00 1.46 0.94 1.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.87 5.36 0.00 1.83 1.81 0.00 3.10 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 60 A 9.58 5.32 1.21 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 61 T 9.00 5.26 4.18 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 1.24 0.00 0.00 62 D 8.22 4.98 0.00 2.73 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 63 G 8.28 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 64 K 8.06 4.31 0.00 1.71 1.81 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.31 7.81 65 K 8.64 4.47 0.00 1.72 1.62 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.38 7.81 66 K 8.19 5.04 0.00 1.64 1.67 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.37 7.81 67 I 8.45 4.87 1.95 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.69 0.89 0.00 0.00 68 S 9.05 5.27 0.00 3.88 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 69 T 8.41 4.67 3.67 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 -0.02 0.00 0.00 70 V 7.93 4.52 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 0.88 0.00 0.00 0.83 0.00 0.00 71 V 8.10 4.04 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 0.61 0.00 0.00 0.06 0.00 0.00 72 S 8.51 5.39 0.00 3.87 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 73 S 8.78 4.20 0.00 3.99 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 74 K 7.50 4.14 0.00 1.65 1.91 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.51 7.81 75 E 8.15 4.68 0.00 2.15 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 2.13 2.28 0.00 76 V 8.06 3.70 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 0.91 0.00 0.00 0.97 0.00 0.00 77 N 8.11 4.37 0.00 2.76 2.89 0.00 0.00 7.14 6.90 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 78 K 8.05 4.03 0.00 1.98 1.92 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.54 7.81 79 F 8.77 4.13 0.00 3.06 3.11 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 80 Q 8.66 4.13 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 81 M 7.98 3.98 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 82 A 7.50 3.94 1.29 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 0.00 0.00 83 Y 8.00 3.86 0.00 2.03 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 84 S 8.17 3.96 0.00 4.19 3.80 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 0.00 0.00 0.00 85 N 7.77 4.25 0.00 2.86 2.78 0.00 0.00 6.67 6.56 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 86 L 7.96 3.77 0.00 1.73 1.67 0.99 0.75 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 87 L 7.49 3.59 0.00 1.45 1.47 0.42 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.51 3.82 0.00 1.84 1.90 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 89 A 8.00 4.05 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 90 N 7.62 4.28 0.00 2.00 2.05 0.00 0.00 7.05 7.72 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 91 M 7.19 4.28 0.00 1.92 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 92 D 7.39 4.55 0.00 2.83 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 93 G 7.97 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 94 L 7.86 4.38 0.00 1.61 1.61 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.44 4.23 0.00 1.73 1.75 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.