NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *5 I 4.0045 8.0244 118.5632 58.2844 37.5212 174.8865 6 S 4.2056 8.0222 117.8416 57.4088 61.6808 167.5554 7 K 4.5899 8.5069 119.5070 56.4037 33.3433 176.1239 8 C 4.9695 7.6056 116.9465 59.3100 29.4457 176.2598 9 F 4.1781 8.6000 123.8485 61.2467 39.3137 176.6958 10 A 4.1642 8.1030 122.2223 54.1109 18.5101 177.2470 11 T 4.3337 7.7553 103.1570 63.1706 70.8298 176.0056 12 L 4.3376 7.7419 122.1102 55.9089 42.3998 179.0952 13 G 3.6483 8.1199 105.5193 47.7719 0.0000 175.5586 14 A 3.6224 7.7033 123.7364 54.9979 18.3674 179.8823 15 T 3.7512 7.5578 113.7253 66.6540 68.2990 176.8202 16 L 3.8210 7.2725 119.8616 57.5524 41.5746 178.8420 17 Q 4.5156 8.4378 119.9640 59.6515 28.8802 178.2448 18 D 4.5060 8.3860 118.0690 56.4072 41.0708 177.7699 19 S 4.5970 7.7921 114.5145 57.2534 63.2634 173.9646 20 I 3.8973 6.9295 123.7883 63.0731 37.2003 176.6704 21 G 3.9880 9.8923 114.5118 45.2019 0.0000 173.2819 22 K 4.6226 7.9749 119.3982 54.6222 35.2293 175.3786 23 Q 4.6497 8.4737 123.4671 56.1303 30.3737 175.0384 24 V 4.9889 9.2078 119.2342 59.4674 36.0349 174.0906 25 L 4.9363 8.8365 126.1065 53.7533 43.9524 175.2307 26 V 4.7664 9.0274 126.4502 61.0219 34.3926 174.1688 27 K 4.8921 7.7339 126.4516 54.5546 34.5217 175.2682 28 L 5.1242 8.4405 122.5901 52.3173 45.6075 176.1255 29 R 3.8584 8.4759 119.3694 57.1163 31.4633 176.6306 30 D 4.3979 9.0772 117.0419 55.5447 38.2687 174.0689 31 S 3.7083 7.2188 108.3126 60.0232 60.9983 172.0329 32 H 4.8358 7.6526 114.9548 54.5080 31.0512 174.6912 33 E 4.9536 8.6345 122.0184 54.5734 32.6417 174.3430 34 I 5.2117 8.7408 126.7798 59.6469 41.7132 174.6692 35 R 5.0786 8.6940 123.2246 54.5354 34.3188 174.7194 36 G 4.2399 8.2441 107.5718 45.9937 0.0000 172.2103 37 I 4.6772 8.0574 122.2817 60.1262 38.4363 175.4156 38 L 4.6263 9.1539 133.1616 55.9891 42.3578 177.9438 39 R 4.2221 8.6365 125.6200 57.7243 32.6972 172.2085 40 S 4.5757 7.9124 110.1241 58.2216 65.7880 173.6927 41 F 5.9574 7.9735 116.7972 57.1103 40.5680 172.1445 42 D 5.0559 8.7289 120.6230 51.7285 42.4193 176.8108 43 Q 4.0052 8.8435 116.5066 58.4706 27.8120 173.9186 44 H 4.6686 8.3322 111.5513 55.4107 28.5647 175.3368 45 V 3.4289 8.2953 118.6947 63.7153 30.5971 171.3008 46 N 4.8554 8.6305 115.5984 52.8984 39.6143 174.1574 47 L 5.3263 9.0699 121.8516 52.8663 46.0136 175.1323 48 L 5.1345 8.8747 123.6986 53.4228 44.4473 175.1052 49 L 5.4165 9.1735 128.7048 53.6010 45.2923 176.0605 *50 E 4.8890 8.7765 119.5023 55.1013 33.8542 175.0564 51 D 4.4768 8.7545 118.3980 55.2208 38.9180 174.1198 52 A 4.7432 8.3569 119.6429 51.9814 20.1178 177.4275 53 E 5.1468 9.3368 117.1111 54.9620 33.6125 174.0468 54 E 5.0087 9.3950 121.2921 55.1197 32.2331 175.1751 55 I 4.8571 8.6352 124.4657 59.8734 39.2009 175.3287 56 I 4.3586 9.0890 128.9465 60.5687 39.8500 175.9464 57 D 4.3211 9.8584 126.7503 55.4027 38.1440 175.2872 58 G 4.0642 8.0352 104.2848 46.1485 0.0000 173.0295 59 N 4.7315 8.2005 118.2159 52.4561 40.3751 174.3870 60 V 4.5889 8.1683 122.7217 62.1624 32.9911 174.6714 61 Y 4.5749 9.4927 126.9457 55.9155 39.8502 175.2739 62 K 4.5100 8.6773 124.3479 56.6369 32.4233 177.4640 63 R 4.5170 9.2216 121.6212 53.7684 32.8537 176.7590 64 G 3.9762 8.4685 107.5591 46.0663 0.0000 175.9500 65 T 4.6904 8.5928 122.5534 62.8830 68.9408 172.3430 66 M 4.7686 9.1796 126.5669 53.6318 35.7102 173.9159 67 V 4.7246 8.4626 125.4449 61.2848 33.4482 174.7363 68 V 4.4727 8.7583 127.8779 61.0142 34.5464 174.7010 69 R 4.6548 8.5541 126.7402 55.5128 30.8937 177.9686 70 G 3.7255 9.5558 112.2684 47.5678 0.0000 175.1223 71 E 3.8615 8.3082 120.0480 58.7752 29.7591 177.0200 72 N 4.8153 7.9287 113.9574 52.6369 39.0485 174.3368 73 V 4.0054 7.6294 119.5223 62.8150 32.3038 175.5850 74 L 4.5195 8.8927 128.0038 56.6908 42.6209 176.6256 75 F 4.9914 7.1258 111.1446 56.0311 41.3201 172.6851 76 I 5.1736 8.4383 119.3669 59.7559 40.7593 175.0460 77 S 4.5337 9.5212 121.4080 55.7747 65.3690 171.3000 78 P 4.7547 0.0000 0.0000 62.4158 31.6994 176.7526 79 V 3.7217 8.3265 125.2927 62.4383 32.0852 174.0853 80 P 4.3425 0.0000 0.0000 62.0214 31.8775 176.6196 81 G 4.0944 8.9154 111.0658 46.2428 0.0000 172.8689 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 I 8.02 4.00 1.87 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 1.30 1.21 0.91 0.00 0.00 6 S 8.02 4.21 0.00 4.09 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 7 K 8.51 4.59 0.00 1.80 1.82 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.40 7.81 8 C 7.61 4.97 0.00 2.95 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 9 F 8.60 4.18 0.00 3.06 3.10 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 0.00 0.00 0.00 0.00 10 A 8.10 4.16 1.30 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 0.00 0.00 0.00 11 T 7.76 4.33 4.20 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 1.19 0.00 0.00 12 L 7.74 4.34 0.00 1.64 1.64 0.90 0.86 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 13 G 8.12 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 14 A 7.70 3.62 0.58 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 0.00 0.00 15 T 7.56 3.75 4.12 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 1.15 0.00 0.00 16 L 7.27 3.82 0.00 1.01 0.37 0.42 1.12 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 17 Q 8.44 4.52 0.00 2.48 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 18 D 8.39 4.51 0.00 2.79 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 19 S 7.79 4.60 0.00 4.02 3.90 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 20 I 6.93 3.90 1.95 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.81 0.94 0.00 0.00 21 G 9.89 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 0.00 0.00 0.00 22 K 7.97 4.62 0.00 1.82 1.73 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.39 7.81 23 Q 8.47 4.65 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 24 V 9.21 4.99 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 0.71 0.00 0.00 0.99 0.00 0.00 25 L 8.84 4.94 0.00 1.81 1.80 1.06 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 V 9.03 4.77 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 0.85 0.00 0.00 0.93 0.00 0.00 27 K 7.73 4.89 0.00 0.79 1.32 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.17 0.96 7.81 28 L 8.44 5.12 0.00 1.51 1.48 0.84 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.48 3.86 0.00 1.72 1.87 0.00 3.41 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 30 D 9.08 4.40 0.00 2.92 2.77 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 0.00 31 S 7.22 3.71 0.00 4.00 3.90 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 32 H 7.65 4.84 0.00 3.06 3.15 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.63 4.95 0.00 1.98 1.92 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 2.27 2.31 0.00 34 I 8.74 5.21 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.48 0.96 0.00 0.00 35 R 8.69 5.08 0.00 1.73 1.79 0.00 3.21 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 36 G 8.24 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 0.00 0.00 0.00 0.00 37 I 8.06 4.68 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.21 1.00 0.00 0.00 38 L 9.15 4.63 0.00 1.82 1.79 1.10 1.19 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 39 R 8.64 4.22 0.00 1.60 1.76 0.00 3.36 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 40 S 7.91 4.58 0.00 3.77 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 41 F 7.97 5.96 0.00 3.12 3.01 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 42 D 8.73 5.06 0.00 2.92 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 43 Q 8.84 4.01 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.23 0.00 0.00 0.00 0.00 0.00 2.29 1.98 0.00 44 H 8.33 4.67 0.00 3.31 3.37 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.30 3.43 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 0.89 0.00 0.00 0.93 0.00 0.00 46 N 8.63 4.86 0.00 2.97 2.82 0.00 0.00 6.81 7.19 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 47 L 9.07 5.33 0.00 1.56 1.58 0.93 0.39 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 48 L 8.87 5.13 0.00 1.74 1.60 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.17 5.42 0.00 1.60 1.52 0.93 1.07 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 *50 E 8.78 4.89 0.00 1.63 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 51 D 8.75 4.48 0.00 2.80 2.77 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 0.00 52 A 8.36 4.74 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 53 E 9.34 5.15 0.00 2.01 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 2.36 2.32 0.00 54 E 9.39 5.01 0.00 1.94 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 2.25 2.29 0.00 55 I 8.64 4.86 2.03 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 1.26 0.51 0.96 0.00 0.00 56 I 9.09 4.36 1.89 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 0.83 0.00 0.00 57 D 9.86 4.32 0.00 2.83 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 58 G 8.04 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 0.00 0.00 0.00 59 N 8.20 4.73 0.00 3.01 2.54 0.00 0.00 6.41 7.23 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 60 V 8.17 4.59 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 0.84 0.00 0.00 0.94 0.00 0.00 61 Y 9.49 4.57 0.00 2.88 2.88 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 62 K 8.68 4.51 0.00 1.66 1.76 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 63 R 9.22 4.52 0.00 1.62 1.93 0.00 3.38 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 64 G 8.47 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 0.00 0.00 0.00 65 T 8.59 4.69 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 66 M 9.18 4.77 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 67 V 8.46 4.72 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 0.83 0.00 0.00 0.94 0.00 0.00 68 V 8.76 4.47 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 0.98 0.00 0.00 0.92 0.00 0.00 69 R 8.55 4.65 0.00 1.90 1.83 0.00 3.17 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 70 G 9.56 3.73 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 0.00 0.00 0.00 71 E 8.31 3.86 0.00 1.91 2.00 0.00 0.00 0.00 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 2.40 0.00 72 N 7.93 4.82 0.00 2.77 2.75 0.00 0.00 6.56 8.56 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 73 V 7.63 4.01 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 0.71 0.00 0.00 0.96 0.00 0.00 74 L 8.89 4.52 0.00 1.34 1.70 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.13 4.99 0.00 3.02 3.10 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 0.00 0.00 0.00 0.00 76 I 8.44 5.17 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.68 0.92 0.00 0.00 77 S 9.52 4.53 0.00 3.80 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 78 P 0.00 4.75 0.00 1.98 1.99 0.00 3.73 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 2.02 2.08 0.00 79 V 8.33 3.72 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 0.75 0.00 0.00 0.96 0.00 0.00 80 P 0.00 4.34 0.00 2.08 1.97 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 81 G 8.92 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.