NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1450 8.2549 117.2607 54.8662 30.9409 175.1729 2 P 4.0853 0.0000 0.0000 61.5049 32.0723 175.9833 3 D 4.4015 8.4532 120.1340 57.0665 42.0003 178.2230 4 F 4.4368 7.8803 114.6143 59.7040 37.8574 177.8375 5 C 4.6321 7.3527 115.9458 59.1216 39.9862 174.7471 6 L 4.3111 7.6363 118.6082 53.9346 41.9722 175.9122 7 E 4.4620 7.6613 121.1483 53.8536 30.6904 174.1735 8 P 4.3973 0.0000 0.0000 61.6293 32.0708 174.3301 9 P 3.7123 0.0000 0.0000 62.6473 31.4890 175.4104 10 Y 4.6090 7.6568 120.3417 56.0200 40.6372 175.2560 11 T 4.1589 8.3080 125.3016 65.3732 68.8027 176.1687 12 G 3.8968 6.7285 104.9184 44.2643 0.0000 171.1420 13 P 4.3834 0.0000 0.0000 63.6402 31.9099 177.1506 14 C 4.5669 7.6991 117.3226 56.6109 41.2765 173.6672 15 K 4.3758 8.2146 117.5644 56.2344 32.2066 176.5467 16 A 4.2177 7.8303 122.4643 51.5850 19.9729 177.7112 17 R 5.0352 8.0748 116.8291 54.2214 29.9139 174.3415 18 I 4.4097 8.2595 122.0885 59.1709 40.1135 175.4861 19 I 4.1894 8.2109 127.7108 61.3813 37.6553 175.5268 20 R 4.6490 8.1937 124.9061 54.5233 34.7731 173.7272 21 Y 5.6934 9.7213 119.3937 56.5641 40.7926 175.0761 22 F 5.7530 9.6413 117.4750 55.2401 41.6184 173.1686 23 Y 4.4478 10.4008 123.6773 57.3953 39.9558 173.9466 24 N 4.6976 8.3505 126.9880 52.2344 38.6643 175.3453 25 A 3.6157 8.3182 129.6379 54.0929 19.1533 178.8751 26 K 3.9749 8.1184 116.3690 59.6401 32.0624 178.0310 27 A 3.9812 8.6290 121.2270 52.8659 18.4790 178.6902 28 G 3.8545 8.9947 104.1193 45.0830 0.0000 172.9467 29 L 4.5677 6.5323 115.1424 54.6170 44.1994 173.2545 30 C 4.9607 8.6273 117.1511 56.7922 38.9259 173.1664 31 Q 4.8744 8.6207 121.1249 54.2716 33.2274 174.3756 32 T 5.1454 8.6594 110.7159 61.4394 70.6436 173.6429 33 F 5.1002 8.9858 117.1819 55.6818 42.3071 173.0376 34 V 4.2743 8.4068 119.3978 61.9721 32.2717 174.1825 35 Y 4.7571 8.9645 130.5533 56.2103 40.5587 176.2407 36 G 4.0672 8.0945 112.3755 45.4412 0.0000 174.8793 37 G 3.7700 6.0230 107.3186 45.5033 0.0000 172.5284 38 C 4.9354 7.3806 112.8186 54.7635 44.5575 173.3788 39 R 3.9944 8.8095 115.8833 56.6252 27.2231 176.6887 40 A 4.0627 7.4836 118.4968 52.9614 17.3915 178.7479 41 K 4.3431 8.4011 120.7622 55.0804 33.6702 178.0858 42 R 3.5045 8.0411 118.1808 58.4025 30.3345 177.4103 43 N 5.0374 7.2020 117.7234 51.4532 36.6929 173.4995 44 N 5.1709 6.9374 117.0983 52.6811 42.0885 173.5797 45 F 4.9330 9.8054 125.6860 55.5721 42.3380 176.5954 46 K 3.6439 9.2574 124.3342 58.3215 32.7652 177.2287 47 S 4.8532 8.1319 113.0459 56.1219 64.7346 174.3295 48 A 3.4689 8.0916 130.8775 54.6822 18.0510 178.7383 49 E 3.7326 8.0289 117.5387 59.8934 29.5656 178.8801 50 D 4.3226 7.9316 118.2294 57.2053 40.8253 177.9678 51 C 2.4500 7.5685 118.8291 59.4152 39.0525 175.6193 52 M 3.8329 7.8674 120.3620 58.1483 31.2411 178.9174 53 R 3.7437 7.5259 117.9247 59.7085 30.4306 178.3275 54 T 3.9990 7.8606 114.5094 66.2100 68.6046 175.1226 55 C 4.4665 7.5469 114.6278 56.1736 40.8767 174.1896 56 G 3.5621 7.3617 115.3326 45.6658 0.0000 173.5948 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 R 8.25 4.15 0.00 1.63 1.84 0.00 3.02 0.00 0.00 3.04 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 2 P 0.00 4.09 0.00 0.95 1.82 0.00 3.22 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.00 0.00 3 D 8.45 4.40 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.88 4.44 0.00 3.27 3.27 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 5 C 7.35 4.63 0.00 2.93 3.22 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 0.00 6 L 7.64 4.31 0.00 1.70 1.75 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.66 4.46 0.00 1.99 2.02 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 2.26 2.27 0.00 8 P 0.00 4.40 0.00 2.11 1.99 0.00 3.82 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 1.96 1.94 0.00 9 P 0.00 3.71 0.00 0.65 0.49 0.00 3.25 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.00 10 Y 7.66 4.61 0.00 2.78 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 11 T 8.31 4.16 4.10 0.00 0.00 0.00 0.00 0.00 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 12 G 6.73 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 0.00 0.00 0.00 13 P 0.00 4.38 0.00 2.18 2.19 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 14 C 7.70 4.57 0.00 2.88 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 4.38 0.00 1.64 1.74 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.41 7.81 16 A 7.83 4.22 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.07 5.04 0.00 1.60 1.78 0.00 3.14 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 18 I 8.26 4.41 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.82 0.91 0.00 0.00 19 I 8.21 4.19 1.74 0.00 0.00 0.79 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 0.67 0.53 0.00 0.00 20 R 8.19 4.65 0.00 0.85 1.74 0.00 3.40 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 21 Y 9.72 5.69 0.00 3.02 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 F 9.64 5.75 0.00 3.21 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 23 Y 10.40 4.45 0.00 3.03 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 24 N 8.35 4.70 0.00 2.44 2.52 0.00 0.00 6.66 8.14 0.00 0.00 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 A 8.32 3.62 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 3.97 0.00 1.71 2.00 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 27 A 8.63 3.98 1.25 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 0.00 0.00 28 G 8.99 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.53 4.57 0.00 1.72 1.69 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.63 4.96 0.00 2.81 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 31 Q 8.62 4.87 0.00 1.47 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 32 T 8.66 5.15 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 1.34 0.00 0.00 33 F 8.99 5.10 0.00 3.02 3.12 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 0.00 0.00 0.00 0.00 34 V 8.41 4.27 2.07 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 0.70 0.00 0.00 0.91 0.00 0.00 35 Y 8.96 4.76 0.00 2.43 2.61 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 0.00 0.00 0.00 0.00 36 G 8.09 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 0.00 0.00 0.00 37 G 6.02 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 38 C 7.38 4.94 0.00 3.08 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.81 3.99 0.00 2.22 2.22 0.00 3.32 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 7.48 4.06 1.05 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 0.00 0.00 41 K 8.40 4.34 0.00 1.80 1.66 0.00 1.41 0.00 0.00 1.61 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.26 1.13 7.81 42 R 8.04 3.50 0.00 0.99 0.66 0.00 2.58 0.00 0.00 2.88 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.27 0.00 43 N 7.20 5.04 0.00 3.27 2.91 0.00 0.00 6.88 7.67 0.00 0.00 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 N 6.94 5.17 0.00 2.78 2.61 0.00 0.00 7.08 7.02 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 45 F 9.81 4.93 0.00 3.21 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 46 K 9.26 3.64 0.00 1.79 1.95 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.51 7.81 47 S 8.13 4.85 0.00 3.97 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 48 A 8.09 3.47 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.03 3.73 0.00 1.97 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 2.33 2.37 0.00 50 D 7.93 4.32 0.00 3.05 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 51 C 7.57 2.45 0.00 2.63 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 7.87 3.83 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.47 0.00 53 R 7.53 3.74 0.00 1.81 1.86 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 54 T 7.86 4.00 4.21 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 1.55 0.00 0.00 55 C 7.55 4.47 0.00 2.53 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.36 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00