NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7891 8.3393 109.7359 44.7270 0.0000 175.6480 *4 P 4.1038 0.0000 0.0000 62.3590 31.9922 175.8561 5 V 4.5818 7.8411 113.5280 59.5266 36.2072 174.0278 6 E 4.3354 8.6416 122.6455 54.3725 32.5047 174.4454 7 F 5.3639 8.3240 125.2337 56.4026 40.3236 174.7884 8 N 5.1211 8.7359 121.5945 51.6764 40.5250 174.8993 9 T 4.5201 8.7042 110.9030 61.4719 70.3226 173.8922 10 L 4.9869 7.5387 120.6020 53.2277 46.3172 175.8241 11 I 4.1988 8.6169 122.9825 60.3301 38.4871 175.2401 12 V 4.6994 8.4852 128.6848 61.3350 32.5325 174.8392 13 T 4.3405 8.6590 119.9627 59.5946 69.8700 176.5183 14 K 4.5506 7.9921 128.0271 56.0469 31.6215 178.8621 15 G 3.9555 8.7919 106.1682 46.0216 0.0000 174.9182 16 K 4.4877 7.4341 117.0103 56.1852 32.8002 176.2415 17 E 4.5970 7.9069 117.1935 56.5118 31.1111 175.9368 18 V 4.6423 8.7096 120.9686 61.1020 34.8340 174.3123 19 R 4.5917 8.8402 124.7581 55.2956 30.0958 176.2617 20 I 4.2464 7.8902 116.2126 60.9578 39.3873 175.2707 21 D 4.2718 7.0542 121.9053 53.5932 42.7487 174.7508 22 E 4.0598 8.5431 113.6588 58.8820 30.2525 177.3589 23 N 5.0059 7.8625 113.9309 51.9538 41.0382 173.5896 24 I 4.6573 7.1700 113.5747 59.1605 40.3458 174.7520 25 F 5.1580 8.5034 123.7511 55.5663 43.3912 173.7905 26 T 5.1323 9.0962 109.1191 60.0901 72.0484 172.7990 27 L 5.0758 9.2303 126.5478 53.2792 45.4913 174.2834 28 E 5.1127 8.9686 126.9506 54.6822 31.0863 174.8831 29 K 4.8195 9.5313 126.0328 54.5000 36.2751 174.5714 30 D 4.6373 8.6670 122.0100 54.7126 42.0649 177.3301 31 G 3.6516 8.7293 110.0042 45.4915 0.0000 172.8168 32 Y 3.9689 7.4094 116.7773 57.2250 38.1790 175.0380 33 R 5.0962 8.6694 123.3510 54.6668 32.8201 176.1478 34 V 4.7226 9.1447 122.0695 61.6276 33.7349 174.0140 35 Y 5.0156 8.6797 124.8754 55.6226 40.9729 175.7335 36 P 4.4098 0.0000 0.0000 62.5461 32.0253 175.4275 *38 E 4.3432 8.5515 118.3740 56.5292 31.3552 176.8017 39 I 4.4797 7.6817 119.9000 59.8127 38.3664 174.0543 40 P 5.2782 0.0000 0.0000 62.3748 32.4740 175.2948 *42 D 4.6442 8.4280 119.2486 54.4311 42.7843 174.8988 43 V 4.9708 8.5896 114.6155 59.6305 35.3963 174.9754 44 R 4.8419 9.0620 120.5363 54.4691 32.8034 176.2292 45 K 4.1547 8.8268 121.5565 59.1308 32.6975 176.7162 46 T 4.8219 7.4704 106.5085 59.4491 71.8502 174.4432 47 K 4.1318 8.6483 120.4868 58.0586 32.8471 177.7650 48 F 3.7781 8.0318 118.7364 58.9990 37.7955 177.3296 *50 E 4.1267 8.4917 125.7609 56.0252 31.9223 175.4981 51 K 3.8168 8.3904 119.2679 57.4084 32.4976 177.2863 52 S 4.2045 9.5253 121.2558 57.6619 63.3142 173.6070 53 G 4.3702 6.6854 104.3413 46.8909 0.0000 170.8602 54 T 5.1171 8.2139 115.7338 61.9207 72.3044 173.5370 55 A 5.2368 8.2280 124.6150 51.1003 23.6850 174.6865 56 E 4.8583 9.0575 117.7293 54.5695 33.6815 175.7279 57 V 4.0721 8.6547 125.4157 63.5485 31.4978 175.4853 58 Q 4.4401 9.3296 127.5833 57.4355 29.9716 176.1179 59 K 4.7041 7.7684 118.1558 54.8059 36.1533 174.7748 60 L 5.1420 8.3703 126.8017 53.4961 45.1676 175.1351 61 Q 4.6982 9.0666 122.8365 54.2498 32.4290 173.8775 62 W 5.7025 8.2994 119.7026 55.3147 32.4080 174.9636 63 E 4.6548 9.8719 119.3225 57.0851 33.3058 175.2561 64 E 3.9385 10.0422 125.4566 58.6622 26.7178 174.1461 65 G 3.2704 8.0138 102.7317 45.7954 0.0000 170.7097 66 R 4.9955 7.6981 117.0435 54.2685 34.5445 174.3434 67 T 5.4101 8.9509 114.7125 60.5261 71.2678 172.3194 68 I 5.1714 8.8989 128.3207 59.2420 41.0218 173.9871 69 I 4.9935 8.9785 123.0733 59.4962 40.9895 174.7678 70 T 5.0908 8.9124 120.5192 62.1651 71.2092 172.6510 71 Y 5.2363 8.3232 124.5872 54.9270 41.9823 174.5184 72 K 4.8630 8.9646 122.6192 54.6204 34.0836 175.0373 73 L 4.7706 9.4106 131.7771 55.6067 41.9309 176.5821 74 T 4.5635 8.8724 117.5433 62.1960 69.8989 174.8371 75 S 4.7022 7.5168 114.8380 57.9721 65.5503 175.1295 76 L 4.9691 8.5975 121.0154 54.8841 43.7942 173.5807 77 H 4.0920 8.9418 124.4781 57.7079 29.2220 178.1748 78 S 4.3711 5.8100 109.1421 57.2039 61.7412 175.1139 79 V 3.8203 7.3084 119.0522 60.5254 30.6348 176.3676 80 N 4.1954 8.3444 124.5909 54.9797 39.4964 174.4771 81 L 3.9863 8.4648 124.1223 55.5947 42.9600 174.0163 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 G 8.34 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 *4 P 0.00 4.10 0.00 2.12 2.06 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 5 V 7.84 4.58 2.06 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 0.58 0.00 0.00 0.64 0.00 0.00 6 E 8.64 4.34 0.00 1.85 1.61 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 2.06 2.11 0.00 7 F 8.32 5.36 0.00 2.94 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 8 N 8.74 5.12 0.00 1.50 2.48 0.00 0.00 6.92 7.06 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 9 T 8.70 4.52 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 10 L 7.54 4.99 0.00 1.48 1.55 0.92 0.82 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 11 I 8.62 4.20 1.57 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.42 0.43 0.00 0.00 12 V 8.49 4.70 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 0.84 0.00 0.00 0.94 0.00 0.00 13 T 8.66 4.34 4.45 0.00 0.00 0.00 0.00 0.00 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 14 K 7.99 4.55 0.00 1.83 1.88 0.00 2.07 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.36 7.81 15 G 8.79 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 16 K 7.43 4.49 0.00 1.91 1.92 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.39 7.81 17 E 7.91 4.60 0.00 2.12 2.07 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 2.30 2.04 0.00 18 V 8.71 4.64 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 0.85 0.00 0.00 0.97 0.00 0.00 19 R 8.84 4.59 0.00 1.53 1.62 0.00 3.06 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 20 I 7.89 4.25 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.53 0.85 0.00 0.00 21 D 7.05 4.27 0.00 2.46 2.28 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 22 E 8.54 4.06 0.00 2.09 1.99 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 2.22 2.20 0.00 23 N 7.86 5.01 0.00 2.62 2.99 0.00 0.00 6.71 7.32 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 24 I 7.17 4.66 1.70 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.67 0.82 0.00 0.00 25 F 8.50 5.16 0.00 1.71 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 26 T 9.10 5.13 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 1.16 0.00 0.00 27 L 9.23 5.08 0.00 1.92 1.57 0.98 0.71 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 28 E 8.97 5.11 0.00 2.05 1.86 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 2.25 2.38 0.00 29 K 9.53 4.82 0.00 1.80 1.74 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.74 7.81 30 D 8.67 4.64 0.00 2.66 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 31 G 8.73 3.65 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 0.00 0.00 0.00 32 Y 7.41 3.97 0.00 2.24 1.43 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 0.00 0.00 0.00 0.00 33 R 8.67 5.10 0.00 1.93 1.76 0.00 3.19 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 34 V 9.14 4.72 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 1.11 0.00 0.00 1.49 0.00 0.00 35 Y 8.68 5.02 0.00 2.95 2.85 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 36 P 0.00 4.41 0.00 2.09 2.06 0.00 3.88 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 2.07 2.09 0.00 *38 E 8.55 4.34 0.00 1.99 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 2.19 2.42 0.00 39 I 7.68 4.48 1.89 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 1.41 0.71 0.92 0.00 0.00 40 P 0.00 5.28 0.00 2.09 2.22 0.00 3.41 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 *42 D 8.43 4.64 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.59 4.97 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 0.53 0.00 0.00 0.93 0.00 0.00 44 R 9.06 4.84 0.00 1.86 1.94 0.00 2.76 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 45 K 8.83 4.15 0.00 1.86 1.86 0.00 1.67 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.50 7.81 46 T 7.47 4.82 4.50 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 1.29 0.00 0.00 47 K 8.65 4.13 0.00 1.59 1.66 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.33 7.81 48 F 8.03 3.78 0.00 3.02 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 *50 E 8.49 4.13 0.00 2.12 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 2.20 2.34 0.00 51 K 8.39 3.82 0.00 1.68 1.44 0.00 1.69 0.00 0.00 1.39 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.35 7.81 52 S 9.53 4.20 0.00 3.85 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 53 G 6.69 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 0.00 0.00 0.00 0.00 54 T 8.21 5.12 4.27 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 1.23 0.00 0.00 55 A 8.23 5.24 1.27 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 0.00 0.00 56 E 9.06 4.86 0.00 1.95 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 0.00 2.34 2.27 0.00 57 V 8.65 4.07 2.26 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 0.88 0.00 0.00 0.89 0.00 0.00 58 Q 9.33 4.44 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.40 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 59 K 7.77 4.70 0.00 1.77 1.58 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.42 7.81 60 L 8.37 5.14 0.00 1.67 1.43 1.20 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 9.07 4.70 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.52 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 62 W 8.30 5.70 0.00 3.24 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 63 E 9.87 4.65 0.00 2.07 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 2.18 2.26 0.00 64 E 10.04 3.94 0.00 2.15 1.96 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 2.27 2.35 0.00 65 G 8.01 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 0.00 0.00 0.00 66 R 7.70 5.00 0.00 1.89 1.91 0.00 3.05 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.70 0.00 67 T 8.95 5.41 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 68 I 8.90 5.17 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.38 1.01 0.00 0.00 69 I 8.98 4.99 1.83 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.22 0.82 0.00 0.00 70 T 8.91 5.09 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 71 Y 8.32 5.24 0.00 3.19 2.98 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 72 K 8.96 4.86 0.00 1.86 1.78 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.38 7.81 73 L 9.41 4.77 0.00 2.19 1.90 1.11 1.08 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 74 T 8.87 4.56 4.28 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 1.33 0.00 0.00 75 S 7.52 4.70 0.00 3.89 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 76 L 8.60 4.97 0.00 1.54 1.63 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.94 4.09 0.00 3.16 3.10 0.00 5.94 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 78 S 5.81 4.37 0.00 3.97 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 79 V 7.31 3.82 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 0.69 0.00 0.00 0.94 0.00 0.00 80 N 8.34 4.20 0.00 2.68 2.78 0.00 0.00 7.23 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 81 L 8.46 3.99 0.00 1.81 1.66 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.