NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1171 8.0093 120.7867 61.0642 39.1440 174.4175 2 T 4.4876 8.1633 114.9823 59.5107 71.3823 171.2380 3 A 4.6518 8.7276 125.1583 50.5580 23.2549 177.3745 4 K 4.2787 8.2696 118.7830 55.3081 32.8261 175.8620 5 P 4.3434 0.0000 0.0000 62.1115 31.8582 176.4806 6 A 4.0489 8.4892 123.2147 52.9163 18.5907 178.4792 7 K 4.2165 8.6241 121.2741 58.9480 32.7837 177.9276 8 T 4.6359 7.3461 107.4516 58.3981 68.4452 171.2788 9 P 4.1792 0.0000 0.0000 64.1336 32.2954 176.6036 10 T 4.8698 8.3915 117.9530 60.8744 69.0362 175.0480 11 S 4.4196 8.2225 122.1192 57.0401 65.2866 172.8704 12 P 4.2037 0.0000 0.0000 65.8286 30.9685 178.8408 13 K 3.9118 7.9397 117.6280 59.6155 32.1800 178.6082 14 E 4.0061 8.2063 118.8894 59.4630 29.2720 179.4061 15 Q 3.9867 8.4617 118.4378 58.8540 28.7740 178.5931 16 A 3.9892 8.2972 122.1043 54.9544 18.2540 179.8848 17 I 3.7388 7.8453 118.5790 64.4411 37.2403 178.7833 18 G 3.6294 8.1561 106.6138 47.7531 0.0000 175.4650 19 L 3.9248 8.2326 123.4706 57.8509 42.1181 179.2063 20 S 4.0249 7.9979 115.0768 61.6362 62.8013 176.9395 21 V 3.6650 8.1604 121.2654 66.0948 30.7188 178.0526 22 T 4.0466 8.1614 115.5673 66.9036 68.3588 176.4120 23 F 4.1977 8.9275 119.8682 60.8303 38.9052 177.8833 24 L 4.1438 8.3739 118.6969 57.6800 41.1345 179.7109 25 S 4.1696 8.1806 113.6957 61.0465 63.0314 175.9814 26 F 4.4216 8.0057 119.6373 59.7568 39.2171 177.7248 27 L 4.2670 8.3533 118.8743 57.5114 41.3930 179.5414 28 L 4.0528 8.3289 119.2312 57.3723 41.7035 177.7584 29 P 4.2893 0.0000 0.0000 65.5053 31.3138 178.4743 30 A 4.2227 8.1938 119.2739 55.1833 18.3774 179.5398 31 G 3.7475 8.5100 104.5300 47.7981 0.0000 175.5197 32 W 4.1968 8.7070 131.3367 60.2288 30.5130 178.1015 33 V 3.8333 8.0918 116.6842 66.2741 31.4421 177.7038 34 L 4.1829 8.4765 119.0483 57.7977 41.2825 178.4182 35 Y 3.9453 8.2521 118.9936 60.7938 38.7923 177.3134 36 H 4.4582 7.4472 114.3027 55.3567 28.7933 176.7013 37 L 3.8631 7.2698 123.4893 58.1221 41.4198 179.0490 38 D 4.0855 7.6795 117.1553 57.2640 40.9908 177.6338 39 N 4.1761 7.7732 115.7161 56.2105 38.4367 176.5094 40 Y 4.5231 6.8054 116.9489 60.9552 38.3948 177.3654 41 K 4.0642 8.5186 118.5044 58.3291 33.5435 177.3968 42 K 4.6502 8.0502 117.0181 55.3135 31.9689 175.8535 43 S 4.3763 7.8075 118.9295 58.7448 63.3753 174.6861 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 I 8.01 4.12 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 1.35 0.91 0.00 0.00 2 T 8.16 4.49 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 1.21 0.00 0.00 3 A 8.73 4.65 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.27 4.28 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.34 0.00 2.04 1.98 0.00 3.70 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 2.03 2.08 0.00 6 A 8.49 4.05 1.27 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 0.00 0.00 7 K 8.62 4.22 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.35 4.64 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 1.21 0.00 0.00 9 P 0.00 4.18 0.00 2.06 2.05 0.00 3.63 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 2.03 2.13 0.00 10 T 8.39 4.87 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 1.21 0.00 0.00 11 S 8.22 4.42 0.00 4.04 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 12 P 0.00 4.20 0.00 2.16 2.15 0.00 3.59 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 2.11 2.15 0.00 13 K 7.94 3.91 0.00 1.77 1.79 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 E 8.21 4.01 0.00 2.30 1.98 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 2.32 2.35 0.00 15 Q 8.46 3.99 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 16 A 8.30 3.99 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 17 I 7.85 3.74 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.86 0.91 0.00 0.00 18 G 8.16 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.23 3.92 0.00 1.75 1.54 0.73 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.00 4.02 0.00 4.04 3.88 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 21 V 8.16 3.66 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 1.07 0.00 0.00 1.03 0.00 0.00 22 T 8.16 4.05 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 23 F 8.93 4.20 0.00 3.12 3.15 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 24 L 8.37 4.14 0.00 1.91 1.79 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.18 4.17 0.00 4.03 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 26 F 8.01 4.42 0.00 3.02 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.35 4.27 0.00 1.78 1.78 1.01 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.33 4.05 0.00 1.80 1.75 0.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.29 0.00 2.19 2.09 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 30 A 8.19 4.22 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 31 G 8.51 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.71 4.20 0.00 3.47 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 33 V 8.09 3.83 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.32 0.00 0.00 34 L 8.48 4.18 0.00 2.00 1.73 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.25 3.95 0.00 2.92 2.99 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 36 H 7.45 4.46 0.00 2.46 2.21 0.00 5.88 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.27 3.86 0.00 1.70 1.67 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.68 4.09 0.00 2.59 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.77 4.18 0.00 2.34 2.74 0.00 0.00 6.92 7.46 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 40 Y 6.81 4.52 0.00 3.07 2.92 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 41 K 8.52 4.06 0.00 1.80 1.90 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.64 7.81 42 K 8.05 4.65 0.00 1.62 1.67 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.40 7.81 43 S 7.81 4.38 0.00 4.05 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 0.00