NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 G 3.9200 8.3549 109.7364 45.0779 0.0000 174.5870 2 R 3.7995 8.2049 121.0731 55.4823 30.7402 174.0778 3 Q 4.4447 9.0426 123.7524 53.8249 33.2909 173.4870 4 F 4.2444 8.5960 123.2001 58.8546 39.3477 175.0779 5 G 4.1299 9.1321 113.1644 46.0995 0.0000 174.0458 6 H 4.9766 8.1562 114.2932 55.4082 29.5869 174.7400 7 L 4.0571 7.5088 120.0981 56.3894 41.9875 178.0025 8 T 4.4463 7.1674 112.4811 61.4495 70.5453 172.3491 9 R 4.4847 8.3162 122.7842 54.6150 31.0862 175.5042 10 V 4.4666 8.1532 123.8664 61.1680 34.5193 174.4584 11 R 4.4972 7.9091 124.4913 55.8085 33.6541 174.3091 12 H 4.1279 8.6984 115.9326 56.9643 26.0727 174.5773 13 V 4.3466 7.8715 118.1917 60.9947 33.2406 174.4689 14 I 4.3332 8.2198 127.4528 59.6123 39.1676 174.9695 15 T 4.4943 8.0161 120.7070 61.7498 71.1398 172.8490 16 Y 4.8086 8.5297 123.3174 56.3262 40.4165 175.2689 17 S 4.7766 8.4543 118.5449 56.9400 67.2104 173.1962 18 L 4.8044 8.0818 121.6983 52.5837 44.2796 176.7776 19 S 4.3142 8.3677 116.1170 57.5031 63.0203 173.5458 20 P 4.2368 0.0000 0.0000 65.4415 31.1936 178.2189 21 F 4.3231 7.7166 116.2694 59.3214 38.9745 175.9635 22 E 4.3815 7.9913 119.0771 56.6261 29.8005 175.3086 23 Q 4.7087 7.4367 115.6350 53.8306 31.7698 174.8078 24 R 4.2804 8.2623 116.5221 55.5300 30.9386 177.0931 25 A 4.0453 8.4583 123.8927 53.7087 19.5421 177.6523 26 F 4.8981 7.6903 114.7236 55.6622 39.7764 173.7567 27 P 4.4586 0.0000 0.0000 64.8154 31.9082 175.9160 28 H 4.0961 8.9516 120.3051 56.0285 26.8962 176.1415 29 Y 4.1219 7.8110 120.5050 60.7943 38.5118 176.6335 30 F 4.4713 7.9337 116.8892 59.4346 40.0406 178.1154 31 S 4.3693 8.3664 111.5725 60.5776 62.8474 174.9337 32 K 4.4153 8.0983 119.9858 57.2575 35.0105 178.4273 33 G 4.0787 8.1352 106.3860 47.2344 0.0000 175.4777 34 I 3.7011 7.4932 122.0996 63.6182 37.2211 176.7242 35 P 4.2231 0.0000 0.0000 65.7315 31.0895 178.1974 36 N 4.3478 8.3342 115.8461 56.4760 38.7750 177.2115 37 V 3.5962 7.8455 119.8730 65.8361 31.5688 178.0759 38 L 3.9601 8.2379 119.1700 57.5769 41.4069 179.3463 39 R 3.8498 7.9510 118.6018 59.7239 30.2014 178.8888 40 R 3.9345 8.3530 118.1032 59.3236 29.8669 179.3642 41 T 3.9513 8.0494 115.8324 66.7361 68.3679 176.7254 42 R 3.8434 8.2128 119.3934 59.5730 30.0994 178.1247 43 A 4.1589 8.2075 119.7782 54.1352 18.5088 178.2414 44 C 4.6482 7.5653 110.6379 59.1469 31.3738 176.0639 45 I 3.4365 7.9854 122.5730 64.7610 36.4544 177.9073 46 L 4.1398 7.9154 117.8468 57.0036 41.5723 178.6521 47 R 4.3024 8.4670 117.9408 57.8492 30.7150 178.5430 48 V 3.9321 7.6160 117.1562 65.6538 31.9338 177.7042 49 A 4.2061 8.0531 120.4376 54.7907 18.2543 177.4257 50 P 4.2235 0.0000 0.0000 65.7384 31.4471 176.8371 51 P 4.1826 0.0000 0.0000 65.6549 31.1143 178.5863 52 F 4.4232 7.5848 118.0751 60.0937 38.8774 178.1032 53 V 3.8341 8.0608 118.1718 65.6781 31.2122 178.0081 54 A 4.0216 8.2157 120.7884 55.0206 18.2269 179.1619 55 F 4.1564 8.3145 119.2337 61.7945 39.4772 176.4887 56 Y 3.9134 8.6199 119.3457 60.7293 38.4455 178.3277 57 L 3.7970 8.1497 119.6109 57.8752 41.7523 179.5780 58 V 3.6218 8.0380 118.5387 66.0686 31.2818 177.4481 59 Y 3.8035 8.0325 119.8159 60.8160 38.6800 178.0688 60 T 3.5060 7.6639 110.7327 64.3107 68.6859 176.2297 61 W 4.0166 8.4963 131.7836 60.0682 30.8186 178.2307 62 G 3.3967 8.5888 106.0916 47.9373 0.0000 175.8246 63 T 3.6703 7.7305 118.4610 66.4926 68.4131 176.8967 64 Q 3.8667 7.7710 119.8621 58.7775 28.6594 178.5363 65 E 3.4984 7.8126 120.6757 58.9226 29.2647 178.6386 66 F 4.0809 7.7908 119.6590 61.2789 39.7470 176.6296 67 E 3.8265 8.0530 118.0891 59.3619 29.3589 179.2275 68 K 3.7746 8.0337 118.5709 59.7574 31.9805 179.4993 69 S 4.0819 7.7399 112.8332 60.7671 62.8350 175.7821 70 K 4.1443 7.3683 119.7404 55.9233 32.3839 176.8598 71 R 4.3145 7.0720 118.6211 54.9186 31.3891 177.0962 72 K 4.0234 8.5333 118.1417 59.1538 32.0871 177.7282 73 N 4.7927 7.6114 118.8242 50.0419 38.9488 171.1821 74 P 4.0378 0.0000 0.0000 62.4826 32.2555 176.4970 *75 A 4.1104 8.4363 122.9146 52.5545 18.7843 176.5490 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 *1 G 8.35 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 3.80 0.00 1.80 1.79 0.00 3.13 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 3 Q 9.04 4.44 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 4 F 8.60 4.24 0.00 3.09 2.94 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 0.00 0.00 0.00 5 G 9.13 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.16 4.98 0.00 3.21 3.21 0.00 5.68 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.51 4.06 0.00 1.61 1.57 0.59 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.17 4.45 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 1.21 0.00 0.00 9 R 8.32 4.48 0.00 1.80 1.80 0.00 3.23 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 10 V 8.15 4.47 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 0.88 0.00 0.00 0.93 0.00 0.00 11 R 7.91 4.50 0.00 1.58 1.24 0.00 3.36 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 12 H 8.70 4.13 0.00 3.33 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.87 4.35 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 0.82 0.00 0.00 0.93 0.00 0.00 14 I 8.22 4.33 1.72 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.22 0.00 0.00 15 T 8.02 4.49 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 1.19 0.00 0.00 16 Y 8.53 4.81 0.00 2.88 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 17 S 8.45 4.78 0.00 3.80 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 18 L 8.08 4.80 0.00 1.61 1.56 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.37 4.31 0.00 3.92 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 20 P 0.00 4.24 0.00 1.84 2.09 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 21 F 7.72 4.32 0.00 3.12 3.12 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 0.00 0.00 0.00 22 E 7.99 4.38 0.00 2.11 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 2.38 2.42 0.00 23 Q 7.44 4.71 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.23 0.00 24 R 8.26 4.28 0.00 1.84 1.93 0.00 3.22 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 25 A 8.46 4.05 0.97 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 26 F 7.69 4.90 0.00 2.93 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 27 P 0.00 4.46 0.00 2.28 2.13 0.00 3.98 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 28 H 8.95 4.10 0.00 3.35 3.42 0.00 5.66 0.00 0.00 0.00 0.00 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.81 4.12 0.00 3.12 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 30 F 7.93 4.47 0.00 3.18 3.03 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 0.00 0.00 0.00 31 S 8.37 4.37 0.00 4.10 4.11 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 32 K 8.10 4.42 0.00 2.00 1.80 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.44 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.37 7.81 33 G 8.14 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 0.00 0.00 0.00 0.00 34 I 7.49 3.70 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.07 0.93 0.00 0.00 35 P 0.00 4.22 0.00 2.24 2.11 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 36 N 8.33 4.35 0.00 2.90 2.77 0.00 0.00 6.84 7.29 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 37 V 7.85 3.60 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 1.03 0.00 0.00 0.97 0.00 0.00 38 L 8.24 3.96 0.00 1.87 1.70 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.95 3.85 0.00 1.97 2.10 0.00 3.09 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 1.62 1.67 0.00 40 R 8.35 3.93 0.00 1.98 1.96 0.00 3.16 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 41 T 8.05 3.95 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 1.21 0.00 0.00 42 R 8.21 3.84 0.00 1.76 1.97 0.00 3.27 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 43 A 8.21 4.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.57 4.65 0.00 3.20 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.99 3.44 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.95 0.93 0.00 0.00 46 L 7.92 4.14 0.00 1.63 1.74 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.47 4.30 0.00 1.86 1.99 0.00 3.35 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 48 V 7.62 3.93 2.15 0.00 0.00 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 1.02 0.00 0.00 49 A 8.05 4.21 1.46 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 0.00 0.00 50 P 0.00 4.22 0.00 2.18 2.16 0.00 3.66 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 51 P 0.00 4.18 0.00 1.64 1.87 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 52 F 7.58 4.42 0.00 3.37 3.20 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 0.00 0.00 0.00 0.00 53 V 8.06 3.83 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.01 0.00 0.00 54 A 8.22 4.02 1.41 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 55 F 8.31 4.16 0.00 3.21 3.46 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 56 Y 8.62 3.91 0.00 3.25 3.28 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 57 L 8.15 3.80 0.00 1.91 1.69 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.04 3.62 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 1.14 0.00 0.00 1.01 0.00 0.00 59 Y 8.03 3.80 0.00 2.36 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.66 3.51 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 0.59 0.00 0.00 61 W 8.50 4.02 0.00 3.35 3.26 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 0.00 62 G 8.59 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 3.67 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 64 Q 7.77 3.87 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 65 E 7.81 3.50 0.00 1.16 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 1.47 2.00 0.00 66 F 7.79 4.08 0.00 2.96 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.05 3.83 0.00 2.04 1.89 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 2.57 2.44 0.00 68 K 8.03 3.77 0.00 1.64 1.77 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.48 7.81 69 S 7.74 4.08 0.00 3.92 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 70 K 7.37 4.14 0.00 1.56 1.68 0.00 1.10 0.00 0.00 0.89 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.15 0.89 7.81 71 R 7.07 4.31 0.00 1.83 1.81 0.00 3.09 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 72 K 8.53 4.02 0.00 1.71 1.83 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.39 7.81 73 N 7.61 4.79 0.00 2.58 2.67 0.00 0.00 6.96 7.69 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 74 P 0.00 4.04 0.00 2.03 1.93 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.24 0.00 *75 A 8.44 4.11 1.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.