NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8049 8.3549 109.7358 45.4077 0.0000 176.7362 2 S 4.3859 8.9901 126.4844 55.2860 63.2010 171.1510 3 P 4.4258 0.0000 0.0000 61.6097 32.6169 175.9301 4 P 4.4290 0.0000 0.0000 64.3504 31.2513 176.9998 5 E 4.2027 7.9718 116.6466 56.8253 30.0520 176.1429 6 A 4.3809 7.7961 122.8494 50.5734 20.1540 176.7075 7 D 4.4177 8.4942 122.2273 53.3760 41.6951 175.5294 8 P 4.3370 0.0000 0.0000 65.1706 31.8982 177.3906 9 R 4.2032 8.6048 118.4346 57.7718 30.8486 178.4733 10 L 3.9198 7.8012 119.4874 57.9056 41.8552 178.6583 11 I 3.6089 7.5070 117.8909 63.4773 38.0459 177.0663 12 E 4.2684 7.5024 118.8065 57.7410 29.0883 178.9624 13 S 4.3133 7.3444 114.9473 61.1007 62.9018 176.0997 14 L 4.1942 7.5365 121.9841 57.6103 41.4589 179.3473 15 S 4.1044 7.8434 114.6242 61.6185 62.9285 176.2618 16 Q 3.9694 8.5601 122.6322 59.4544 28.7119 178.4197 17 M 4.0868 7.7347 119.7174 58.3145 32.0100 178.4553 18 L 4.1622 7.7805 119.9578 58.3605 42.1298 179.0435 19 S 4.2472 7.9521 113.9350 61.2045 62.8340 175.6627 20 M 4.3549 7.7160 119.2259 55.6868 32.1087 177.1547 21 G 3.9061 7.9840 107.8527 44.7957 0.0000 173.3089 22 F 4.1871 8.0220 123.0597 57.5162 39.7573 174.7645 23 S 4.7145 8.4577 121.7142 56.8801 65.7598 172.9330 24 D 4.9743 8.4528 122.2906 51.7961 41.5183 175.5899 25 E 4.4265 9.0577 118.0878 58.0052 30.8974 177.2016 26 G 3.9249 8.8585 106.0843 44.8121 0.0000 173.3163 27 G 3.8096 8.1657 107.2779 46.9733 0.0000 175.1502 28 W 4.6814 8.0332 117.3979 57.0732 29.0964 176.9084 29 L 3.3347 7.7181 122.4231 58.1545 41.3144 178.3837 30 T 3.9658 7.8663 110.4891 63.9927 67.5809 175.4101 31 R 4.2589 7.5658 119.2514 58.8154 30.8163 178.0469 32 L 3.9981 8.1762 120.4258 58.0984 41.8650 178.7057 33 L 4.0553 7.4837 118.4454 55.9669 41.5190 178.5359 34 Q 4.0126 7.5639 117.8709 58.0230 29.3959 177.6939 35 T 4.0620 7.6203 109.1209 64.1244 69.3497 175.2474 36 K 4.1050 7.9287 120.0470 54.9729 32.0816 175.9459 37 N 4.2057 7.6565 117.0791 53.2765 38.8495 172.7792 38 Y 4.1628 7.9360 115.2904 58.5907 38.0837 177.6676 39 D 4.6686 7.8547 121.7479 52.9147 40.3253 176.0713 40 I 3.7785 8.2329 125.7379 64.4224 37.1715 177.9836 41 G 3.6633 8.0877 104.1538 47.7717 0.0000 175.0928 42 A 4.1628 7.9641 122.3717 54.8233 18.6351 179.4216 43 A 4.1448 8.2248 120.9559 54.8285 18.2503 179.8962 44 L 4.1456 8.1653 117.5334 57.8920 41.5569 179.0055 45 D 4.3100 7.8972 117.0564 56.8842 41.0397 178.3199 46 T 3.9832 7.8923 116.3997 65.5397 68.4147 175.2661 47 I 4.4096 7.3777 111.9280 60.0017 38.1349 177.7042 48 Q 3.7273 7.8107 118.2576 57.2499 28.4471 174.1471 49 Y 4.5941 7.4539 116.8116 57.2522 35.8958 175.1045 50 S 4.7394 7.8744 115.4920 58.5798 65.5580 176.0688 51 K 4.3260 8.2006 118.6158 58.2402 32.7570 175.9473 52 H 4.3833 7.9967 120.9380 56.6427 29.6422 172.7437 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 G 8.35 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 0.00 0.00 0.00 2 S 8.99 4.39 0.00 3.91 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.43 0.00 2.17 1.96 0.00 3.59 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 2.10 2.10 0.00 4 P 0.00 4.43 0.00 2.03 2.09 0.00 3.66 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 2.02 2.10 0.00 5 E 7.97 4.20 0.00 1.95 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 2.28 2.24 0.00 6 A 7.80 4.38 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 D 8.49 4.42 0.00 2.66 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.34 0.00 2.19 2.15 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 9 R 8.60 4.20 0.00 1.95 1.97 0.00 3.10 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 10 L 7.80 3.92 0.00 1.71 1.71 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.51 3.61 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.10 0.90 0.00 0.00 12 E 7.50 4.27 0.00 2.21 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 2.50 2.31 0.00 13 S 7.34 4.31 0.00 3.55 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.54 4.19 0.00 1.74 1.67 0.67 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.84 4.10 0.00 3.83 3.89 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 16 Q 8.56 3.97 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 17 M 7.73 4.09 0.00 1.92 2.24 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.74 0.00 18 L 7.78 4.16 0.00 1.75 1.86 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.95 4.25 0.00 4.01 3.92 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 20 M 7.72 4.35 0.00 2.11 2.35 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.85 0.00 21 G 7.98 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.02 4.19 0.00 3.08 2.86 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 23 S 8.46 4.71 0.00 3.97 3.78 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 24 D 8.45 4.97 0.00 2.59 2.03 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 25 E 9.06 4.43 0.00 2.15 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 0.00 2.29 2.48 0.00 26 G 8.86 3.92 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 0.00 0.00 0.00 27 G 8.17 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.03 4.68 0.00 3.68 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 3.33 0.00 1.01 1.53 -0.11 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.87 3.97 4.20 0.00 0.00 0.00 0.00 0.00 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 31 R 7.57 4.26 0.00 2.11 1.98 0.00 3.36 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.69 0.00 32 L 8.18 4.00 0.00 2.02 1.58 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.48 4.06 0.00 1.54 1.32 0.93 0.85 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 34 Q 7.56 4.01 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.19 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 35 T 7.62 4.06 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 36 K 7.93 4.11 0.00 1.70 1.86 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.35 7.81 37 N 7.66 4.21 0.00 2.95 2.75 0.00 0.00 7.51 7.61 0.00 0.00 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 Y 7.94 4.16 0.00 3.02 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 39 D 7.85 4.67 0.00 2.84 2.63 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 40 I 8.23 3.78 1.89 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 1.58 1.08 0.93 0.00 0.00 41 G 8.09 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 42 A 7.96 4.16 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.22 4.14 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 44 L 8.17 4.15 0.00 1.94 1.81 1.09 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.90 4.31 0.00 2.82 2.83 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 46 T 7.89 3.98 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 47 I 7.38 4.41 2.15 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.16 1.18 0.00 0.00 48 Q 7.81 3.73 0.00 1.87 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 7.50 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 49 Y 7.45 4.59 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.87 4.74 0.00 3.87 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.20 4.33 0.00 1.80 1.90 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.38 7.81 52 H 8.00 4.38 0.00 3.08 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00