NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 K 4.2382 8.3031 120.1339 55.9750 33.4858 174.5737 21 G 3.6945 8.2603 109.0384 44.9495 0.0000 171.8952 22 S 4.4075 8.3528 115.5721 57.5842 64.6304 173.0512 23 V 3.7977 8.1497 123.0972 62.5668 31.9698 175.5053 24 V 4.3391 8.0510 126.1279 60.7482 33.6724 174.9138 25 I 3.8987 8.3195 127.7643 61.4356 36.8083 175.9358 26 V 4.0625 8.1325 125.1219 62.7770 32.4282 175.5750 27 G 3.9967 7.4459 104.7208 47.2409 0.0000 171.8479 28 R 4.5675 8.1972 114.7397 55.5326 31.9235 173.9574 29 I 4.5120 8.0786 118.3114 59.4440 40.3199 175.1100 30 V 4.3379 8.4188 124.6979 61.1353 32.8195 174.9949 31 L 4.3828 8.3841 126.7321 56.5275 42.4233 179.0221 32 S 3.8628 8.1582 113.7815 60.9171 62.9551 175.0345 33 G 3.8596 7.2387 108.6281 45.4048 0.0000 172.6547 34 K 4.6356 8.0959 117.7562 54.0694 35.6115 173.9570 35 P 4.0925 0.0000 0.0000 63.0375 31.7304 175.7402 36 A 4.6114 8.0948 123.8654 50.5345 22.1134 175.7447 37 I 3.8615 8.2771 123.3373 60.6180 37.4050 176.0787 38 I 3.7228 8.3719 127.3500 60.5521 37.0703 174.3788 39 P 4.3450 0.0000 0.0000 62.3336 31.7015 176.1753 40 K 3.9261 8.4291 124.4360 56.9221 32.9312 177.5062 *41 K 4.1330 8.4896 125.4148 54.9058 32.3269 174.4682 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 20 K 8.30 4.24 0.00 1.76 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.45 7.81 21 G 8.26 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.35 4.41 0.00 3.87 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 23 V 8.15 3.80 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 0.76 0.00 0.00 0.93 0.00 0.00 24 V 8.05 4.34 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 0.90 0.00 0.00 0.97 0.00 0.00 25 I 8.32 3.90 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 0.65 0.94 0.00 0.00 26 V 8.13 4.06 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 0.79 0.00 0.00 0.93 0.00 0.00 27 G 7.45 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 4.57 0.00 1.89 1.88 0.00 2.98 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 29 I 8.08 4.51 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 0.67 0.91 0.00 0.00 30 V 8.42 4.34 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 0.84 0.00 0.00 0.93 0.00 0.00 31 L 8.38 4.38 0.00 1.74 1.68 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.16 3.86 0.00 3.85 3.93 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 0.00 0.00 0.00 33 G 7.24 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.10 4.64 0.00 1.81 1.73 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.40 7.81 35 P 0.00 4.09 0.00 2.06 2.07 0.00 3.66 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 2.04 2.13 0.00 36 A 8.09 4.61 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 37 I 8.28 3.86 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 1.41 0.58 0.91 0.00 0.00 38 I 8.37 3.72 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 1.47 0.46 0.91 0.00 0.00 39 P 0.00 4.35 0.00 2.17 2.06 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 40 K 8.43 3.93 0.00 1.72 1.74 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.49 7.81 *41 K 8.49 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.