NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4528 8.3349 115.2870 58.6011 62.6139 173.5453 2 R 4.5438 7.8871 126.6969 54.0713 31.6810 174.6354 3 R 4.5376 8.2399 117.4705 55.3410 33.2911 175.0617 4 C 4.7177 8.3410 119.4955 54.8053 41.6887 172.3051 5 P 4.4231 0.0000 0.0000 63.5718 31.7031 176.1305 6 G 4.1380 8.5330 106.7504 44.6425 0.0000 173.5282 7 K 3.6501 8.4393 120.4429 56.7424 32.6236 176.4658 8 N 4.7073 8.1503 120.3820 53.5071 39.7206 174.5733 9 A 5.1120 6.6362 119.3859 50.9121 22.6602 176.3840 10 W 4.8636 9.1158 120.9903 53.9407 29.4040 174.5041 11 P 4.3588 0.0000 0.0000 65.6244 31.4085 178.6154 12 E 4.2182 8.1928 113.6837 58.0213 29.7157 177.5493 13 L 4.1617 8.6129 120.4705 56.4711 42.1579 176.5307 14 V 3.8570 7.5361 118.7436 65.8377 31.2192 175.7218 15 G 4.0923 9.1350 116.0309 45.2614 0.0000 173.1693 16 K 4.5512 8.2912 120.0886 54.3444 34.2013 176.0950 17 S 4.6632 8.4631 116.1682 58.7942 64.4887 175.6473 18 G 3.8409 8.8480 111.6916 48.0626 0.0000 175.6460 19 N 4.2742 7.9920 118.5691 56.9082 39.1037 176.6284 20 M 3.9829 8.2226 119.4538 58.4319 32.2171 177.8757 21 A 3.8626 8.4504 121.3971 54.9420 18.6169 179.1042 22 A 3.7356 8.1309 118.4643 55.3089 18.4108 179.7025 23 A 3.8370 8.0450 118.9312 55.6754 18.4669 179.8751 24 T 3.7450 7.8715 114.4375 66.6734 68.3614 176.9791 25 V 2.0570 7.2718 119.8532 65.6987 31.1576 178.1332 26 E 4.1141 8.0109 118.0935 58.8258 28.9359 179.3768 27 R 3.9729 8.0090 118.7627 59.3819 30.4774 178.0606 28 E 4.3972 8.5798 117.3389 57.7681 30.6426 176.6288 29 N 4.9697 8.4436 117.8751 50.9518 38.9477 174.3194 30 R 4.2099 8.3243 121.2453 57.1097 30.4944 176.3288 31 N 4.7145 8.4368 114.6342 54.2288 39.1374 173.9297 32 V 4.6530 7.8172 109.2160 60.4230 36.1547 174.2903 33 H 4.8653 8.8793 120.5585 54.5078 32.7619 171.8047 34 A 4.9614 8.8357 127.4848 50.3719 20.9774 176.0207 35 I 4.5738 8.7646 121.4711 59.4600 40.9253 174.7303 36 V 4.7392 8.3359 125.6528 61.6184 32.7068 174.8442 37 L 4.5665 8.7836 126.4708 54.6912 44.0728 174.8374 38 K 4.8219 8.4286 119.8815 55.0581 34.3559 175.8420 39 E 3.9285 8.5061 123.3192 58.7458 29.5189 177.2852 40 G 3.9382 8.8681 114.3823 44.9110 0.0000 173.0274 41 S 3.9896 7.6941 114.8521 57.8869 62.7259 175.2484 42 A 4.2170 8.2830 130.9786 52.3170 15.6097 176.0269 43 M 4.4536 7.3110 120.0667 52.6987 35.1762 176.0270 44 T 4.2835 8.6470 116.8157 64.1189 69.2015 174.4176 45 K 4.6172 8.4814 120.7693 56.9220 34.4683 176.5383 46 D 4.5669 8.1706 117.3183 53.4564 39.4699 175.0536 47 F 4.6381 8.5433 121.0738 56.7031 40.5358 175.2113 48 R 4.0448 7.9754 126.7249 54.5626 32.8719 175.2259 49 C 3.9791 8.2640 121.9488 59.7922 41.6375 174.8614 50 D 4.3152 7.8144 116.8008 53.9696 39.7379 175.0650 51 R 4.7496 7.7563 121.7614 54.4685 33.2093 174.2341 52 V 4.3798 8.1526 125.3483 60.7191 34.7692 174.2756 53 W 5.0815 8.5483 128.2666 56.8125 30.5017 175.7363 54 V 4.5081 8.9532 125.6864 61.1742 31.3343 172.4722 55 I 4.5790 8.0005 125.1140 60.6496 38.4259 175.0558 56 V 5.0394 8.8717 120.4351 59.6053 36.0893 175.3835 57 N 5.1793 8.8136 119.8513 51.7282 39.3338 175.4505 58 D 4.3387 8.6246 116.8328 57.6411 40.8215 176.8946 59 H 4.5538 8.4555 116.3457 55.6962 30.1685 174.9944 60 G 3.7985 8.5128 106.8782 46.9195 0.0000 172.9633 61 V 4.2870 8.1523 119.8133 60.3906 32.9779 175.2289 62 V 4.2385 8.8867 127.6823 63.4495 31.0959 176.2411 63 T 4.2500 8.6515 118.9378 62.7843 69.6377 175.2481 64 S 4.7263 7.6338 114.6107 55.8939 64.3380 173.1495 65 V 3.9045 8.2310 125.2548 62.3637 32.0948 173.8843 66 P 5.2871 0.0000 0.0000 61.9136 31.7977 174.4931 67 H 5.6226 8.5541 119.8502 53.3074 31.9070 172.6195 68 I 3.7338 8.7546 122.3596 62.3564 36.9005 176.1685 69 T 4.0724 8.6556 122.0854 63.8365 69.6034 174.0534 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 8.33 4.45 0.00 3.84 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 2 R 7.89 4.54 0.00 1.79 1.66 0.00 3.02 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.61 0.00 3 R 8.24 4.54 0.00 1.74 1.83 0.00 3.35 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 4 C 8.34 4.72 0.00 3.09 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 5 P 0.00 4.42 0.00 2.20 2.07 0.00 3.87 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 2.19 1.98 0.00 6 G 8.53 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.44 3.65 0.00 1.39 0.92 0.00 0.66 0.00 0.00 1.03 0.00 0.00 2.59 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.88 7.81 8 N 8.15 4.71 0.00 2.78 2.85 0.00 0.00 6.98 7.43 0.00 0.00 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 A 6.64 5.11 1.16 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 0.00 0.00 0.00 0.00 0.00 10 W 9.12 4.86 0.00 3.51 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 11 P 0.00 4.36 0.00 2.19 2.14 0.00 3.57 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 2.10 2.09 0.00 12 E 8.19 4.22 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 13 L 8.61 4.16 0.00 1.99 1.80 0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.54 3.86 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.02 0.00 0.00 15 G 9.14 4.09 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 0.00 0.00 0.00 16 K 8.29 4.55 0.00 2.01 1.72 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.52 7.81 17 S 8.46 4.66 0.00 4.01 3.99 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 0.00 0.00 0.00 18 G 8.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.99 4.27 0.00 2.82 2.79 0.00 0.00 6.84 7.63 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 20 M 8.22 3.98 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 21 A 8.45 3.86 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 22 A 8.13 3.74 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 23 A 8.05 3.84 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 24 T 7.87 3.74 4.16 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 0.00 0.00 1.20 0.00 0.00 25 V 7.27 2.06 1.67 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 0.39 0.00 0.00 -0.01 0.00 0.00 26 E 8.01 4.11 0.00 1.96 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 2.41 2.21 0.00 27 R 8.01 3.97 0.00 2.02 1.93 0.00 3.27 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 28 E 8.58 4.40 0.00 2.44 2.36 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 2.47 2.52 0.00 29 N 8.44 4.97 0.00 3.14 3.11 0.00 0.00 7.30 8.25 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 30 R 8.32 4.21 0.00 1.83 1.95 0.00 3.10 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 31 N 8.44 4.71 0.00 2.74 2.99 0.00 0.00 6.92 7.33 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 32 V 7.82 4.65 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 0.95 0.00 0.00 1.12 0.00 0.00 33 H 8.88 4.87 0.00 3.14 3.13 0.00 5.76 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.84 4.96 1.04 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 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.76 4.57 2.34 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 1.17 0.43 1.11 0.00 0.00 36 V 8.34 4.74 2.09 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 0.76 0.00 0.00 0.97 0.00 0.00 37 L 8.78 4.57 0.00 1.53 1.55 0.45 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.43 4.82 0.00 1.70 1.72 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.55 7.81 39 E 8.51 3.93 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 40 G 8.87 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 0.00 0.00 0.00 41 S 7.69 3.99 0.00 3.73 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 42 A 8.28 4.22 1.20 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 0.00 0.00 0.00 43 M 7.31 4.45 0.00 0.51 1.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.82 0.00 44 T 8.65 4.28 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 45 K 8.48 4.62 0.00 1.78 1.90 0.00 1.88 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.38 7.81 46 D 8.17 4.57 0.00 2.83 2.79 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 0.00 0.00 0.00 47 F 8.54 4.64 0.00 2.99 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 48 R 7.98 4.04 0.00 1.70 1.63 0.00 3.12 0.00 0.00 3.01 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 0.00 49 C 8.26 3.98 0.00 2.87 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 50 D 7.81 4.32 0.00 2.76 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.76 4.75 0.00 1.57 1.28 0.00 2.21 0.00 0.00 2.73 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 52 V 8.15 4.38 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.91 0.00 0.00 53 W 8.55 5.08 0.00 3.26 2.91 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 54 V 8.95 4.51 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 1.06 0.00 0.00 0.96 0.00 0.00 55 I 8.00 4.58 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.29 0.93 0.00 0.00 56 V 8.87 5.04 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 0.76 0.00 0.00 0.99 0.00 0.00 57 N 8.81 5.18 0.00 2.90 2.99 0.00 0.00 7.41 8.16 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 58 D 8.62 4.34 0.00 2.68 2.80 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 59 H 8.46 4.55 0.00 3.08 3.46 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.51 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 61 V 8.15 4.29 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 0.86 0.00 0.00 1.04 0.00 0.00 62 V 8.89 4.24 2.30 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 0.90 0.00 0.00 0.96 0.00 0.00 63 T 8.65 4.25 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 1.29 0.00 0.00 64 S 7.63 4.73 0.00 3.88 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.23 3.90 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 0.89 0.00 0.00 0.96 0.00 0.00 66 P 0.00 5.29 0.00 2.19 2.27 0.00 4.18 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.87 0.00 67 H 8.55 5.62 0.00 3.40 3.36 0.00 5.57 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 68 I 8.75 3.73 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.80 0.00 0.00 69 T 8.66 4.07 4.12 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 1.37 0.00 0.00