NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3489 0.0000 0.0000 62.8412 32.6238 175.7178 3 K 4.3266 7.8669 119.2152 53.6838 31.7971 174.1526 4 M 4.2049 9.3582 124.9419 55.5616 33.8426 174.8880 5 K 4.6401 8.1885 123.0529 54.5240 34.4098 176.5349 6 T 4.0296 8.1873 112.5628 61.5411 69.6922 173.7482 7 H 4.3485 8.8390 125.0758 55.6906 30.0970 176.1630 8 K 4.1563 8.6720 127.8407 59.4157 31.7461 179.4941 9 G 3.6689 7.9001 104.5251 47.2309 0.0000 174.9229 10 A 4.3094 8.1286 122.2667 54.5445 19.0964 178.9765 11 K 3.9101 7.6806 116.5176 59.5740 32.1921 177.9872 12 K 4.4752 8.0241 115.9912 56.4266 32.2495 177.3630 13 R 4.6711 8.3377 113.4973 55.5480 31.1203 174.7995 14 V 4.7025 7.5725 116.9223 61.5114 34.9566 173.8027 15 K 4.6432 9.0436 127.7470 54.5704 35.3115 174.3441 16 I 4.7780 8.2486 127.1700 59.7464 38.7338 175.7613 17 T 4.2457 8.9269 121.1783 60.9254 70.4588 174.7437 18 A 4.0671 8.5020 123.3423 55.1900 18.5549 178.9002 19 S 4.2818 7.8228 107.9919 58.5393 63.7174 174.7330 20 G 4.0678 7.4366 108.1554 45.1145 0.0000 174.1175 21 K 4.3194 8.2447 119.7918 56.0703 34.0166 175.9366 22 V 4.7669 8.3053 121.3552 61.4486 33.7080 174.5857 23 V 5.4534 9.2556 121.1839 59.0545 34.7174 174.7390 24 A 4.9693 8.1609 123.9394 50.4355 23.1015 176.7695 25 M 4.5263 8.3596 118.7538 55.0041 32.9566 176.2609 26 K 4.4464 8.3654 121.0191 55.2936 35.1992 175.8456 27 T 3.9574 8.3821 114.5987 62.9447 69.0109 172.9767 28 G 4.0274 9.0057 114.0441 46.5062 0.0000 176.1442 29 K 3.9637 7.8111 118.9102 58.5505 32.3260 174.4500 30 R 3.4328 7.6626 120.5581 57.4610 28.8973 175.3553 31 H 4.1112 9.0895 115.7276 58.1187 24.9173 176.5465 32 L 3.6903 6.5352 121.3424 55.4154 43.4216 178.3084 33 N 4.6064 8.1817 119.1539 53.7452 38.9824 175.3421 34 W 4.5229 7.9540 126.1559 58.7495 32.1385 176.0981 35 Q 4.0286 8.2433 113.5915 55.8147 24.5504 175.8130 36 K 4.3045 7.9744 122.2687 56.9096 30.4692 175.8356 37 S 4.0921 6.7722 116.2038 57.5681 65.1411 174.8181 38 G 4.4654 9.1932 111.7987 45.0825 0.0000 174.4588 39 K 4.0234 7.8592 119.8206 56.8106 31.5051 176.2498 40 E 4.2321 8.1601 118.1270 58.3200 30.0522 177.9214 41 I 3.3605 8.1540 111.6895 64.0361 37.4117 176.5594 42 R 3.9447 7.4771 119.5272 59.2539 30.3662 177.0280 43 Q 4.4198 8.6861 119.4032 54.7104 27.4466 177.4048 44 K 4.5030 7.3555 117.4403 54.3583 33.3582 176.6650 45 G 4.1038 7.6442 110.0580 44.0463 0.0000 170.8084 46 R 4.6297 8.2713 119.1402 56.0122 31.7119 176.0659 47 K 4.7558 8.5301 117.5166 55.2789 36.0346 175.4945 48 F 4.6415 9.3216 118.1111 57.7467 38.1555 174.4604 49 V 4.2777 8.2562 121.5020 61.1076 33.5974 174.4825 50 L 4.4446 8.1696 127.1340 55.1407 43.6891 177.3784 51 A 3.6944 8.2709 121.7303 52.0398 14.9172 174.8322 52 K 4.7957 7.7966 135.0000 56.1507 31.3563 174.3716 53 P 4.5885 0.0000 0.0000 63.5628 31.5185 177.3508 54 E 3.9225 8.2408 117.2421 59.5942 29.6972 178.4615 55 A 4.0912 7.9215 121.2823 54.6759 18.5576 178.6811 56 E 3.8229 8.1391 117.2855 59.9064 29.5215 179.1342 57 R 4.1401 8.4405 117.9952 59.4309 29.8402 178.9707 58 I 3.9059 7.5738 118.4913 63.3672 37.4378 177.4110 59 K 4.3994 8.3579 118.3855 56.1095 32.9634 176.5525 60 L 5.0132 7.3606 118.3995 53.8864 41.9762 176.8601 61 L 4.2346 7.9010 121.6416 58.2339 42.6753 179.6506 62 L 4.0402 8.0321 118.1632 57.2675 41.7850 177.6291 63 P 4.1883 0.0000 0.0000 64.0572 31.6088 177.0249 64 Y 3.3771 8.0992 118.5048 59.8406 37.8807 171.8026 *65 E 4.1515 8.6275 116.9434 57.2202 30.5285 171.8905 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 P 0.00 4.35 0.00 2.19 2.12 0.00 3.76 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 1.89 2.00 0.00 3 K 7.87 4.33 0.00 1.87 1.74 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.48 7.81 4 M 9.36 4.20 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 5 K 8.19 4.64 0.00 1.77 1.70 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.40 7.81 6 T 8.19 4.03 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 1.25 0.00 0.00 7 H 8.84 4.35 0.00 3.22 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.67 4.16 0.00 1.75 1.82 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.43 7.81 9 G 7.90 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 0.00 0.00 0.00 10 A 8.13 4.31 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 0.00 0.00 0.00 0.00 0.00 11 K 7.68 3.91 0.00 1.78 2.06 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.52 7.81 12 K 8.02 4.48 0.00 1.77 1.83 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.69 7.81 13 R 8.34 4.67 0.00 1.79 1.93 0.00 3.02 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.54 0.00 14 V 7.57 4.70 2.23 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 0.77 0.00 0.00 0.92 0.00 0.00 15 K 9.04 4.64 0.00 1.84 1.60 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.35 7.81 16 I 8.25 4.78 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.97 0.91 0.00 0.00 17 T 8.93 4.25 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 1.27 0.00 0.00 18 A 8.50 4.07 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 19 S 7.82 4.28 0.00 3.97 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 20 G 7.44 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 21 K 8.24 4.32 0.00 1.77 1.79 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.38 7.81 22 V 8.31 4.77 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 1.01 0.00 0.00 0.98 0.00 0.00 23 V 9.26 5.45 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 0.85 0.00 0.00 1.03 0.00 0.00 24 A 8.16 4.97 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.36 4.53 0.00 1.99 1.97 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 2.59 2.49 0.00 26 K 8.37 4.45 0.00 1.66 1.59 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.36 7.81 27 T 8.38 3.96 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 1.16 0.00 0.00 28 G 9.01 4.03 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 0.00 0.00 0.00 29 K 7.81 3.96 0.00 1.81 1.80 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.46 7.81 30 R 7.66 3.43 0.00 1.92 1.87 0.00 3.32 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 31 H 9.09 4.11 0.00 3.29 3.59 0.00 5.78 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 6.54 3.69 0.00 2.00 2.15 1.27 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.18 4.61 0.00 3.06 3.08 0.00 0.00 6.86 7.95 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 34 W 7.95 4.52 0.00 3.27 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 35 Q 8.24 4.03 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.79 0.00 0.00 0.00 0.00 0.00 2.16 2.39 0.00 36 K 7.97 4.30 0.00 1.49 1.58 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.33 7.81 37 S 6.77 4.09 0.00 4.10 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 38 G 9.19 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.86 4.02 0.00 1.99 1.97 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.39 7.81 40 E 8.16 4.23 0.00 2.07 1.93 0.00 0.00 0.00 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 2.30 0.00 41 I 8.15 3.36 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 1.35 0.00 0.00 42 R 7.48 3.94 0.00 1.95 2.15 0.00 3.26 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 43 Q 8.69 4.42 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 44 K 7.36 4.50 0.00 1.76 1.67 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 1.40 7.81 45 G 7.64 4.10 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 0.00 0.00 0.00 46 R 8.27 4.63 0.00 1.73 1.91 0.00 3.24 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 47 K 8.53 4.76 0.00 1.42 1.70 0.00 0.92 0.00 0.00 1.37 0.00 0.00 2.83 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.18 1.46 7.81 48 F 9.32 4.64 0.00 3.10 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 49 V 8.26 4.28 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 0.69 0.00 0.00 0.97 0.00 0.00 50 L 8.17 4.44 0.00 1.72 1.57 0.99 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.27 3.69 1.45 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 0.00 0.00 0.00 52 K 7.80 4.80 0.00 1.82 2.12 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.18 1.19 7.81 53 P 0.00 4.59 0.00 2.30 2.27 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 54 E 8.24 3.92 0.00 2.13 2.13 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 2.33 2.38 0.00 55 A 7.92 4.09 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.14 3.82 0.00 2.14 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 2.37 2.46 0.00 57 R 8.44 4.14 0.00 1.99 1.95 0.00 3.12 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 58 I 7.57 3.91 2.04 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 1.71 0.74 0.92 0.00 0.00 59 K 8.36 4.40 0.00 1.88 1.83 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.45 7.81 60 L 7.36 5.01 0.00 1.57 1.65 0.94 1.06 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 61 L 7.90 4.23 0.00 1.68 1.79 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.03 4.04 0.00 1.69 1.64 0.92 0.93 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 63 P 0.00 4.19 0.00 2.22 2.22 0.00 4.02 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 2.13 2.05 0.00 64 Y 8.10 3.38 0.00 2.94 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 *65 E 8.63 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.