NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4734 8.2893 118.1921 53.6368 33.4625 176.6233 2 K 5.0587 7.8447 129.6896 57.5320 31.1715 172.9823 3 P 4.4824 0.0000 0.0000 62.6014 33.0186 179.6257 4 S 3.9636 8.1003 115.9834 61.9150 63.1823 177.0074 5 E 4.2611 8.1862 115.2119 57.2569 28.5788 176.1902 6 M 4.5642 7.8088 117.3684 57.1265 34.4169 178.2501 7 R 4.3024 8.0866 115.1685 59.0215 29.9191 177.5238 8 N 4.2074 8.8795 116.9311 55.7267 38.7126 174.9166 9 L 4.5480 7.4877 116.9885 53.2377 43.3002 178.1555 10 Q 4.1464 8.1685 117.5116 56.0336 30.5702 176.2074 11 A 3.8934 8.2688 120.6590 55.3997 18.9484 179.9260 12 T 3.8814 7.6750 107.8345 65.1097 68.8104 176.2133 13 D 4.8510 8.2092 121.4882 57.2034 40.5857 178.4156 14 F 4.7005 7.6360 116.6283 60.7643 39.1946 176.9475 15 A 4.1902 8.2087 119.8928 55.5733 17.9956 179.5330 16 K 4.4150 9.0822 117.7293 59.0845 32.2863 177.8894 17 E 4.2824 9.0145 116.8769 57.4663 29.7758 176.9021 18 I 4.2906 8.3687 119.1687 62.3912 39.4349 176.9312 19 D 4.4224 7.9806 119.0799 55.7421 39.1130 177.8094 20 A 4.3310 7.9882 122.0075 53.9705 20.0292 179.2815 21 R 3.8024 7.8723 115.9035 58.9561 30.3989 177.9926 22 K 4.4402 7.9162 115.2068 56.0557 31.8390 176.8341 23 K 4.2995 8.1173 122.1263 56.6217 33.7739 177.2512 24 E 4.0527 7.7268 119.2216 58.3528 29.7019 177.8210 25 L 3.8278 8.4465 120.5424 58.8207 42.3152 178.5948 26 M 3.9755 7.9890 118.1051 57.8292 32.2704 177.4129 27 E 3.6987 7.7898 118.0032 60.0588 29.8699 179.2827 28 L 3.9609 8.5668 118.7815 57.8426 41.5807 179.1655 29 R 3.9732 8.5876 118.4463 60.6416 29.8169 177.8609 30 F 4.5169 9.2816 116.5554 60.2267 39.0176 177.9957 31 Q 3.9501 9.3051 117.2631 59.2626 28.6796 179.5058 32 A 3.5587 8.9838 117.0903 56.3064 18.2173 178.2944 33 A 3.9776 7.0688 124.4733 53.0892 19.3862 178.6743 34 A 4.4963 8.1884 118.1493 50.0178 19.6755 173.3556 35 G 3.7577 8.9169 114.4041 45.4996 0.0000 172.4933 36 Q 4.4655 8.7745 132.8303 55.4341 28.7595 172.6655 37 L 3.9944 7.5758 119.5190 56.5043 41.0126 175.5144 38 A 4.4385 8.3977 128.7101 52.6644 20.7787 177.5159 39 Q 4.5474 7.6343 116.7503 54.0445 28.7109 174.7403 40 P 4.3161 0.0000 0.0000 66.2993 32.4590 178.8165 41 H 4.1076 8.6668 113.6113 59.2890 28.0576 177.1257 42 R 3.6896 7.9816 122.0035 59.6680 29.8500 177.2681 43 V 3.4630 8.0371 116.5320 66.1191 31.1334 178.1075 44 R 3.8319 7.6908 116.1850 60.1919 30.3862 177.6760 45 Q 3.8917 8.3718 118.2492 59.1028 28.5551 179.0387 46 L 3.8061 8.0807 121.8429 58.5570 42.3574 179.3559 47 R 3.8229 8.7796 118.2542 58.7713 29.8946 179.6515 48 R 3.7079 9.0720 118.5603 59.3325 30.7733 178.1095 49 E 3.8587 8.5349 119.0517 59.8807 29.4234 179.7404 50 V 3.4113 7.9226 117.4379 66.2316 31.3334 177.2454 51 A 3.9935 7.8555 119.9817 55.1973 18.1014 179.1691 52 Q 4.1795 7.9075 115.7095 58.4778 28.7948 179.5678 53 L 3.6433 8.0013 118.4970 57.2537 41.7496 178.4240 54 N 4.7230 7.5220 114.8264 55.0709 40.0760 176.8790 55 T 3.8773 8.3419 117.9963 66.9150 68.4882 176.3267 56 V 4.4331 8.0900 121.3071 65.7448 31.8495 177.7693 57 K 3.8047 8.3908 118.6612 59.8393 31.9552 178.0921 58 A 4.2274 8.4238 121.1875 54.7712 18.4074 179.3288 59 E 4.0104 9.0041 118.1354 59.4665 29.4027 179.5025 60 L 4.0360 7.7439 117.8963 57.3549 41.5217 178.8245 61 A 4.0764 7.6049 119.4218 54.3394 18.4513 178.0288 62 R 4.4413 7.7774 113.1422 55.3126 32.2733 175.1785 63 K 4.5580 8.3864 117.9007 57.1648 31.6522 175.2647 64 G 3.6031 8.7500 117.8997 43.8804 0.0000 172.6109 65 E 5.8018 9.0213 132.3675 55.7378 28.9226 176.3319 66 Q 4.5282 7.7094 121.6299 56.9939 28.3189 172.9857 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 M 8.29 4.47 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 2 K 7.84 5.06 0.00 2.04 1.99 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.16 1.52 7.81 3 P 0.00 4.48 0.00 2.20 2.02 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 4 S 8.10 3.96 0.00 3.91 4.02 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 5 E 8.19 4.26 0.00 1.97 1.99 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 2.33 2.31 0.00 6 M 7.81 4.56 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 7 R 8.09 4.30 0.00 1.99 2.19 0.00 3.35 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 8 N 8.88 4.21 0.00 2.64 3.00 0.00 0.00 6.99 7.73 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 9 L 7.49 4.55 0.00 2.02 1.71 1.00 1.02 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 10 Q 8.17 4.15 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 11 A 8.27 3.89 1.22 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 0.00 0.00 12 T 7.68 3.88 4.26 0.00 0.00 0.00 0.00 0.00 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 13 D 8.21 4.85 0.00 2.82 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 14 F 7.64 4.70 0.00 2.91 3.07 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 15 A 8.21 4.19 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.08 4.41 0.00 1.79 2.07 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.36 7.81 17 E 9.01 4.28 0.00 1.98 1.90 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 2.57 2.51 0.00 18 I 8.37 4.29 2.00 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 1.49 0.99 0.88 0.00 0.00 19 D 7.98 4.42 0.00 2.85 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 20 A 7.99 4.33 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 21 R 7.87 3.80 0.00 2.03 1.96 0.00 3.14 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 22 K 7.92 4.44 0.00 1.71 1.77 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.38 7.81 23 K 8.12 4.30 0.00 1.83 1.88 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.28 7.81 24 E 7.73 4.05 0.00 2.16 1.99 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 2.32 2.34 0.00 25 L 8.45 3.83 0.00 2.00 1.59 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.99 3.98 0.00 1.92 1.81 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.88 0.00 27 E 7.79 3.70 0.00 2.07 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 2.39 2.50 0.00 28 L 8.57 3.96 0.00 1.80 1.69 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.59 3.97 0.00 2.00 2.14 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 30 F 9.28 4.52 0.00 3.12 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 31 Q 9.31 3.95 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.71 0.00 32 A 8.98 3.56 1.33 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 0.00 0.00 33 A 7.07 3.98 1.30 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 0.00 0.00 0.00 34 A 8.19 4.50 1.30 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 0.00 0.00 0.00 35 G 8.92 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.77 4.47 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.14 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 37 L 7.58 3.99 0.00 1.66 1.63 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.40 4.44 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 39 Q 7.63 4.55 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 40 P 0.00 4.32 0.00 2.17 2.13 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 41 H 8.67 4.11 0.00 3.34 3.55 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.98 3.69 0.00 1.96 2.18 0.00 3.11 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 43 V 8.04 3.46 2.20 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 1.06 0.00 0.00 0.98 0.00 0.00 44 R 7.69 3.83 0.00 2.08 1.97 0.00 3.21 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 45 Q 8.37 3.89 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 46 L 8.08 3.81 0.00 1.84 1.68 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.78 3.82 0.00 2.00 1.87 0.00 3.30 0.00 0.00 3.08 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 48 R 9.07 3.71 0.00 1.82 2.16 0.00 3.10 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 49 E 8.53 3.86 0.00 2.20 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 2.29 2.30 0.00 50 V 7.92 3.41 2.04 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 0.97 0.00 0.00 0.94 0.00 0.00 51 A 7.86 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.91 4.18 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 53 L 8.00 3.64 0.00 1.63 1.59 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.52 4.72 0.00 2.77 2.81 0.00 0.00 6.82 6.93 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 55 T 8.34 3.88 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 1.21 0.00 0.00 56 V 8.09 4.43 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 1.37 0.00 0.00 1.02 0.00 0.00 57 K 8.39 3.80 0.00 2.39 2.15 0.00 2.05 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.86 7.81 58 A 8.42 4.23 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.00 4.01 0.00 2.16 2.05 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 2.31 2.61 0.00 60 L 7.74 4.04 0.00 1.89 1.68 0.74 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.60 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.78 4.44 0.00 1.98 1.91 0.00 3.10 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 63 K 8.39 4.56 0.00 1.80 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.50 7.81 64 G 8.75 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 9.02 5.80 0.00 2.04 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 0.00 2.06 2.05 0.00 66 Q 7.71 4.53 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.42 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00