NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.1881 8.3231 115.2934 56.6746 63.1752 176.6266 2 G 3.8275 9.5483 110.9857 46.1344 0.0000 171.6556 3 S 4.7595 8.9369 129.5817 57.9188 62.1144 176.9797 4 D 4.2454 9.2145 132.3486 57.6757 40.7226 176.1520 5 G 4.1482 6.8191 105.6927 44.1751 0.0000 173.3625 6 G 4.4539 7.9042 110.1216 45.6462 0.0000 173.6212 7 V 4.1147 7.9604 132.9193 62.2249 31.6262 176.5904 8 C 4.6502 7.7479 119.1833 54.7177 44.9758 171.0095 9 P 4.6166 0.0000 0.0000 62.4110 31.8203 177.1775 10 K 4.2620 8.2493 119.8776 55.7493 30.3014 176.5647 11 I 4.4803 7.6020 122.6889 59.7427 39.3750 175.5035 12 L 4.6655 8.1328 120.2213 54.4125 42.3920 176.7090 13 K 4.5307 8.0300 118.6084 55.0761 33.4463 176.9675 14 K 4.2575 8.9857 124.9359 57.1887 32.9292 175.3009 15 C 5.0016 8.3648 117.2166 54.0330 43.3481 174.3242 16 R 3.9652 8.9550 124.0516 58.1922 30.1698 176.6173 17 R 4.7248 7.4223 111.9124 53.9186 32.9276 175.2744 18 D 4.4617 8.8515 117.4421 57.9409 39.6413 179.0297 19 S 4.5774 7.9450 111.0210 58.5746 63.0361 175.0713 20 D 4.2956 7.8366 121.3487 56.3877 41.2392 175.5864 21 C 4.6611 7.2119 118.6644 54.9630 44.6490 171.3473 22 P 4.4292 0.0000 0.0000 63.4403 31.8633 178.1470 23 G 3.7674 8.4635 108.3264 45.1194 0.0000 174.4411 24 A 4.4626 8.4460 124.7786 52.5793 18.4143 178.6571 25 C 4.6474 7.6594 115.8533 58.2391 36.5231 173.1104 26 I 4.7168 8.1737 114.4097 58.5654 40.9528 172.6393 27 C 5.1367 8.4384 121.6995 54.8747 41.0352 174.3621 28 R 4.2945 8.8770 125.7628 55.6287 30.4929 177.8030 29 G 3.6648 8.4712 107.6805 47.9822 0.0000 174.3783 30 N 4.5681 8.1862 115.5210 53.1211 38.0325 175.4659 31 G 3.7267 8.4365 107.9125 46.3989 0.0000 172.7358 32 Y 5.1176 8.1379 115.4202 55.4222 42.0159 174.3710 33 C 4.3369 8.8473 119.8159 58.2143 36.0565 174.8333 34 G 3.6407 8.3877 110.2566 45.5387 0.0000 173.7070 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 S 8.32 4.19 0.00 3.97 3.25 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 0.00 2 G 9.55 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.94 4.76 0.00 3.90 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.21 4.25 0.00 2.65 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 6.82 4.15 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 0.00 6 G 7.90 4.45 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 0.00 7 V 7.96 4.11 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 0.81 0.00 0.00 0.93 0.00 0.00 8 C 7.75 4.65 0.00 2.98 2.96 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 0.00 0.00 0.00 9 P 0.00 4.62 0.00 2.22 2.03 0.00 3.82 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 1.99 1.99 0.00 10 K 8.25 4.26 0.00 1.76 1.81 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 11 I 7.60 4.48 1.90 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 1.52 0.82 0.97 0.00 0.00 12 L 8.13 4.67 0.00 1.54 1.42 0.81 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.03 4.53 0.00 1.73 1.78 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.44 7.81 14 K 8.99 4.26 0.00 1.57 1.61 0.00 1.27 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.31 7.81 15 C 8.36 5.00 0.00 3.11 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 16 R 8.96 3.97 0.00 1.98 2.00 0.00 3.21 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 17 R 7.42 4.72 0.00 1.91 1.97 0.00 2.99 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 18 D 8.85 4.46 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.58 0.00 4.00 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 20 D 7.84 4.30 0.00 2.77 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 21 C 7.21 4.66 0.00 3.14 2.96 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 0.00 0.00 0.00 22 P 0.00 4.43 0.00 2.09 1.97 0.00 3.82 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 2.04 2.09 0.00 23 G 8.46 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 0.00 0.00 0.00 24 A 8.45 4.46 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 25 C 7.66 4.65 0.00 2.92 3.05 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 26 I 8.17 4.72 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.84 0.98 0.00 0.00 27 C 8.44 5.14 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 4.29 0.00 2.33 1.90 0.00 3.21 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 29 G 8.47 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.19 4.57 0.00 3.03 3.03 0.00 0.00 6.18 7.07 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 31 G 8.44 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 32 Y 8.14 5.12 0.00 3.12 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 33 C 8.85 4.34 0.00 3.17 3.09 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 34 G 8.39 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00