NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8782 8.3249 115.7734 56.3762 39.9332 174.0860 2 V 4.3668 7.9638 112.7922 61.4419 39.7328 172.5960 3 N 4.1818 8.0893 114.5856 54.7026 36.8561 172.0213 4 Q 4.6694 7.4017 115.9201 55.0285 31.4974 174.5951 5 H 4.3892 8.5216 114.5059 56.5372 29.2272 175.4377 6 L 4.6257 8.2233 123.1237 53.0151 42.8347 176.1613 7 C 4.4542 7.7054 126.8380 57.8849 31.8774 174.6802 *9 S 4.5089 7.7342 114.2762 58.0538 64.6569 174.4555 10 D 4.4148 8.2608 119.8488 57.6585 41.1115 178.4247 11 L 4.0079 7.5643 119.9255 57.5177 42.0694 179.1473 12 V 4.0285 7.6335 119.5067 65.4357 31.7155 176.8665 13 E 4.0480 7.9388 118.8288 60.0463 28.6150 178.3410 14 A 3.9956 8.0910 119.8153 55.1065 18.3904 179.1093 15 L 3.9274 7.9935 117.3859 58.4618 42.2258 179.4291 16 Y 4.4343 8.7013 116.9252 61.0220 37.7634 177.9254 17 L 4.3383 8.0606 118.0608 57.1252 41.0189 178.6348 18 V 3.9152 8.8666 119.2634 65.6470 31.9328 176.6397 19 C 4.1466 8.2038 117.4540 63.2518 31.6657 175.6669 20 G 4.2280 8.3006 107.5049 46.6332 0.0000 173.1560 21 E 3.9481 8.5644 113.8524 57.6550 27.1446 175.4825 22 R 4.5108 7.9812 113.5184 55.4300 31.2828 175.3899 23 G 3.7306 8.3034 110.4496 45.0666 0.0000 173.2711 24 F 4.3075 7.0029 112.3042 56.3126 40.1427 173.2199 25 F 4.7481 7.3996 113.9187 56.7143 40.7814 173.0612 26 Y 5.0300 7.9930 132.6654 57.7427 37.2052 176.8864 27 T 3.8824 9.2699 120.7820 62.3276 68.4712 176.0541 28 K 3.9120 8.7042 117.2560 56.7589 31.9178 175.1858 29 P 4.3272 0.0000 0.0000 64.2361 30.1897 177.3590 30 T 3.7740 8.3015 114.7898 62.5724 70.0720 172.5361 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 F 8.32 4.88 0.00 3.08 3.31 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 2 V 7.96 4.37 2.16 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 0.76 0.00 0.00 1.17 0.00 0.00 3 N 8.09 4.18 0.00 2.83 2.83 0.00 0.00 6.62 7.63 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 4 Q 7.40 4.67 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 5 H 8.52 4.39 0.00 3.17 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.22 4.63 0.00 1.56 1.54 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 7 C 7.71 4.45 0.00 2.83 2.69 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 *9 S 7.73 4.51 0.00 3.98 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 10 D 8.26 4.41 0.00 2.89 2.69 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 11 L 7.56 4.01 0.00 1.60 1.48 0.11 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.63 4.03 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 1.46 0.00 0.00 1.02 0.00 0.00 13 E 7.94 4.05 0.00 2.39 2.18 0.00 0.00 0.00 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 2.53 0.00 14 A 8.09 4.00 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 15 L 7.99 3.93 0.00 1.61 0.49 0.40 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.70 4.43 0.00 3.41 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 17 L 8.06 4.34 0.00 1.82 1.84 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.87 3.92 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 0.76 0.00 0.00 1.01 0.00 0.00 19 C 8.20 4.15 0.00 3.04 3.19 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 0.00 20 G 8.30 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 0.00 0.00 0.00 0.00 21 E 8.56 3.95 0.00 2.14 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 0.00 2.25 2.37 0.00 22 R 7.98 4.51 0.00 1.76 1.89 0.00 3.37 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 23 G 8.30 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 24 F 7.00 4.31 0.00 2.50 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 25 F 7.40 4.75 0.00 3.07 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 26 Y 7.99 5.03 0.00 3.12 2.32 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 27 T 9.27 3.88 4.30 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 1.27 0.00 0.00 28 K 8.70 3.91 0.00 2.02 2.17 0.00 1.76 0.00 0.00 1.89 0.00 0.00 3.13 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.45 1.48 7.81 29 P 0.00 4.33 0.00 2.21 2.17 0.00 3.94 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 30 T 8.30 3.77 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.