NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3959 8.3049 120.3488 54.0995 33.6251 176.1225 2 P 4.0441 0.0000 0.0000 60.7482 32.6935 173.7763 3 P 4.5356 0.0000 0.0000 62.0781 33.4729 176.1193 4 R 4.1737 8.8314 120.2706 55.3592 31.1950 175.8114 5 P 4.2104 0.0000 0.0000 66.2187 31.1618 179.0450 6 L 3.9628 7.9374 116.6683 57.8203 41.5876 179.2110 7 D 4.3862 8.2304 119.1496 57.1743 40.4642 178.8810 8 V 3.6287 7.4531 117.8103 65.7421 31.9016 177.7944 9 L 3.9567 7.6576 118.4600 57.5283 41.3774 178.7653 10 N 4.5635 7.7551 117.0049 56.6965 38.7532 176.7549 11 R 4.1750 7.5110 114.1641 57.4126 30.1116 176.4742 12 S 4.6844 7.7852 110.3230 57.8432 65.0376 173.9982 13 L 4.3567 8.1365 121.4434 56.0059 41.7312 177.5342 14 K 3.9079 8.8026 119.9998 56.8830 30.8274 175.6066 15 S 5.0105 7.5328 113.8260 55.5673 66.4387 171.6886 16 P 4.9731 0.0000 0.0000 63.1944 32.8590 175.4724 17 V 5.0166 9.0305 114.2988 60.4022 37.1476 173.3716 18 I 4.9312 9.3648 123.5130 59.6342 40.3275 175.0712 19 V 4.6450 8.7292 127.4609 60.8810 33.5602 174.5837 20 R 4.1318 7.9508 129.4612 56.0644 31.3015 175.2150 21 L 5.2352 8.4033 124.3668 52.3024 45.9031 176.3222 22 K 4.1331 8.8102 121.9757 57.9589 32.4079 176.8591 23 G 4.0831 8.9611 111.7886 45.4238 0.0000 173.1441 24 G 3.4994 7.7005 111.6328 45.7358 0.0000 174.7161 25 R 4.2321 7.8451 119.9900 56.5994 31.3479 175.6466 26 E 5.2737 8.8087 119.5996 54.8229 34.5393 174.5390 27 F 5.1086 8.8778 118.9871 55.8526 43.2123 174.1754 28 R 4.9873 9.1447 122.1076 54.0959 33.1671 175.8657 29 G 4.2247 7.9633 108.4176 47.0432 0.0000 170.8678 30 T 4.9780 7.5650 116.2486 61.6806 70.4593 174.5925 31 L 4.4343 8.5377 128.8463 55.9106 41.6013 176.8479 32 D 4.3539 9.5491 126.6412 56.4342 42.0176 175.8050 33 G 4.4125 7.6662 103.1755 44.8516 0.0000 170.3273 34 Y 5.4576 7.5995 115.1908 56.8200 39.4792 172.5397 35 D 5.0983 8.4834 120.8958 51.6066 42.3608 174.9443 36 I 3.9197 8.3723 117.6560 64.7454 38.1439 176.3861 37 H 4.5039 8.3569 116.5590 60.2900 28.7926 175.2946 38 M 3.3647 7.8110 114.7346 56.0397 30.8337 175.7389 39 N 4.9208 8.4290 118.3391 53.0819 40.6151 174.6712 40 L 5.1722 8.6991 118.7287 53.3498 46.9490 175.5953 41 V 4.8083 8.7195 121.5911 61.1397 34.3486 174.2328 42 L 5.3528 8.7348 127.2407 52.9685 45.3009 175.5091 43 L 4.9294 8.6428 122.5152 53.6423 44.6932 175.5013 44 D 4.4850 9.3271 118.8888 55.4114 38.5924 172.7547 45 A 5.1833 8.6232 122.1679 50.1381 23.2573 175.7147 46 E 4.9630 9.1375 118.5681 54.5089 33.5385 175.2669 47 E 3.9621 8.8221 124.8166 54.6129 31.0676 174.6180 48 I 4.5598 8.2249 129.7106 60.0966 38.7792 174.9578 49 Q 4.2400 8.4279 129.1924 54.0296 30.6210 175.1663 50 N 4.0433 9.2050 126.5221 54.3331 35.4993 175.6218 51 G 4.0794 8.2689 107.1326 45.1224 0.0000 172.6335 52 E 4.7171 7.4179 117.4309 53.7777 32.8009 175.5854 53 V 4.2278 8.0250 120.0203 63.2166 32.0691 176.2374 54 V 4.4042 7.8774 120.8246 60.3385 33.2691 175.1493 55 R 4.5098 6.8354 120.3512 56.2050 32.7954 172.7570 56 K 5.1817 8.7251 123.6416 55.0226 35.6838 175.7986 57 V 4.4628 8.7633 115.0253 59.9975 35.8417 175.9102 58 G 3.7756 8.9948 111.5549 49.4441 0.0000 173.2279 59 S 5.4592 7.6535 111.2333 58.7490 65.7480 174.7986 60 V 4.4987 8.0129 112.4220 60.0107 36.2535 173.7561 61 V 4.7312 8.2942 123.3586 61.3658 33.3798 174.6167 62 I 4.3618 8.3446 129.5941 59.1274 39.4465 175.8214 63 R 4.4282 8.6500 126.8116 56.1402 30.6966 178.0686 64 G 3.7621 9.4091 112.6036 48.0597 0.0000 174.9953 65 D 4.3426 8.1946 118.5681 57.5375 41.3688 177.2060 66 T 4.1828 7.9967 114.0415 64.2993 68.9622 174.5361 67 V 4.2587 7.4803 122.2919 62.4920 32.4103 175.0757 68 V 4.3358 8.1212 126.6958 64.3450 32.7677 175.3615 69 F 5.0701 7.3588 112.8256 55.9677 41.2990 172.6914 70 V 5.0321 8.5482 118.4842 61.3862 34.3441 174.4089 71 S 4.8656 9.4846 122.1178 55.7512 66.1363 171.0800 72 P 4.8869 0.0000 0.0000 62.7455 32.0380 176.0021 73 A 4.4202 8.3394 124.0080 52.0445 18.7790 175.7528 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 8.30 4.40 0.00 1.99 1.92 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 2.48 2.57 0.00 2 P 0.00 4.04 0.00 2.15 2.00 0.00 3.72 0.00 0.00 3.68 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 3 P 0.00 4.54 0.00 2.17 2.04 0.00 3.76 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 1.97 1.97 0.00 4 R 8.83 4.17 0.00 1.95 1.89 0.00 3.16 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 5 P 0.00 4.21 0.00 2.14 2.11 0.00 3.60 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 2.12 2.19 0.00 6 L 7.94 3.96 0.00 1.72 1.80 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.23 4.39 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.45 3.63 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.91 0.00 0.00 9 L 7.66 3.96 0.00 1.31 0.91 0.62 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.76 4.56 0.00 2.98 3.05 0.00 0.00 6.86 7.53 0.00 0.00 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 R 7.51 4.18 0.00 1.88 2.07 0.00 3.26 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 12 S 7.79 4.68 0.00 4.05 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 13 L 8.14 4.36 0.00 1.72 1.66 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.80 3.91 0.00 1.93 1.95 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.39 7.81 15 S 7.53 5.01 0.00 3.88 3.97 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 16 P 0.00 4.97 0.00 2.16 2.23 0.00 3.69 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 2.08 2.01 0.00 17 V 9.03 5.02 2.11 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 0.83 0.00 0.00 1.01 0.00 0.00 18 I 9.36 4.93 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.84 0.95 0.00 0.00 19 V 8.73 4.64 2.14 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 0.90 0.00 0.00 0.93 0.00 0.00 20 R 7.95 4.13 0.00 0.67 0.66 0.00 2.97 0.00 0.00 2.98 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.38 0.00 21 L 8.40 5.24 0.00 1.75 1.51 1.12 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.81 4.13 0.00 1.70 1.76 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.40 7.81 23 G 8.96 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.70 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.85 4.23 0.00 1.78 1.80 0.00 3.08 0.00 0.00 3.48 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 26 E 8.81 5.27 0.00 1.81 1.73 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 2.10 2.33 0.00 27 F 8.88 5.11 0.00 3.00 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 28 R 9.14 4.99 0.00 1.73 1.83 0.00 3.23 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 29 G 7.96 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 0.00 0.00 0.00 0.00 30 T 7.56 4.98 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 1.28 0.00 0.00 31 L 8.54 4.43 0.00 1.84 1.62 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 32 D 9.55 4.35 0.00 2.67 2.67 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 0.00 0.00 0.00 0.00 33 G 7.67 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.60 5.46 0.00 3.14 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 35 D 8.48 5.10 0.00 2.74 2.67 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 0.00 0.00 0.00 0.00 36 I 8.37 3.92 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 0.82 0.00 0.00 37 H 8.36 4.50 0.00 3.35 3.28 0.00 5.78 0.00 0.00 0.00 0.00 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 7.81 3.36 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 39 N 8.43 4.92 0.00 2.98 2.74 0.00 0.00 6.83 6.97 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 40 L 8.70 5.17 0.00 1.50 1.48 0.89 0.83 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 41 V 8.72 4.81 2.22 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 0.80 0.00 0.00 0.92 0.00 0.00 42 L 8.73 5.35 0.00 1.54 1.50 0.92 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.64 4.93 0.00 1.61 1.55 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 D 9.33 4.48 0.00 2.76 2.66 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 45 A 8.62 5.18 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 46 E 9.14 4.96 0.00 1.86 1.77 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 2.21 2.22 0.00 47 E 8.82 3.96 0.00 1.33 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.51 0.00 48 I 8.22 4.56 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.35 0.91 0.00 0.00 49 Q 8.43 4.24 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 50 N 9.21 4.04 0.00 2.97 2.84 0.00 0.00 7.06 7.81 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 51 G 8.27 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.42 4.72 0.00 1.95 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 53 V 8.02 4.23 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 0.82 0.00 0.00 0.90 0.00 0.00 54 V 7.88 4.40 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 0.74 0.00 0.00 0.89 0.00 0.00 55 R 6.84 4.51 0.00 1.86 1.84 0.00 3.15 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 56 K 8.73 5.18 0.00 1.64 1.67 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.41 7.81 57 V 8.76 4.46 2.14 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 0.71 0.00 0.00 1.13 0.00 0.00 58 G 8.99 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 0.00 0.00 0.00 59 S 7.65 5.46 0.00 3.88 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 60 V 8.01 4.50 1.83 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 0.79 0.00 0.00 0.57 0.00 0.00 61 V 8.29 4.73 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 0.78 0.00 0.00 0.90 0.00 0.00 62 I 8.34 4.36 1.74 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.29 0.83 0.00 0.00 63 R 8.65 4.43 0.00 1.82 1.85 0.00 3.27 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 64 G 9.41 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 65 D 8.19 4.34 0.00 2.63 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.00 4.18 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 67 V 7.48 4.26 2.22 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 0.75 0.00 0.00 0.90 0.00 0.00 68 V 8.12 4.34 1.97 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 0.98 0.00 0.00 0.90 0.00 0.00 69 F 7.36 5.07 0.00 3.06 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 70 V 8.55 5.03 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 0.81 0.00 0.00 0.94 0.00 0.00 71 S 9.48 4.87 0.00 3.99 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 72 P 0.00 4.89 0.00 2.12 2.05 0.00 3.77 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 1.99 1.97 0.00 73 A 8.34 4.42 1.24 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 0.00 0.00 0.00