NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5373 8.2931 118.1956 55.2704 33.1420 173.8570 2 G 4.0080 8.0767 107.8941 44.4721 0.0000 170.6709 3 N 4.7212 9.4001 120.7242 52.5830 40.3597 173.4047 4 I 3.7006 8.0117 121.9070 62.4662 37.6743 175.7180 5 R 3.8668 7.8372 128.7293 56.7963 27.7750 174.0046 6 T 4.5359 7.7665 116.2914 61.3977 73.8785 175.3560 7 S 4.1298 8.1479 115.7316 61.2510 62.2591 175.9360 8 F 4.0785 8.2098 120.2620 60.3879 38.6874 177.5629 9 V 3.6053 7.8511 117.6540 65.7598 31.2247 178.0549 10 K 3.8596 7.8019 119.0571 59.2217 31.9940 178.6907 11 R 3.8637 7.9637 119.2420 59.3967 30.0061 178.5555 12 I 3.7275 7.8186 119.4211 64.1866 36.9855 178.2238 13 A 4.0086 8.0216 121.6038 55.0805 18.2636 179.6659 14 K 3.8403 8.1903 117.0575 59.7878 30.7129 179.0599 15 E 3.9078 8.4046 119.6148 59.4519 29.2534 178.6333 16 M 3.6396 7.9153 117.2749 58.4518 32.5881 178.1127 17 I 3.8329 7.9418 120.2408 64.3181 37.2927 177.8137 18 E 4.0058 8.3335 117.7439 58.2088 29.4911 177.8683 19 T 4.1931 6.8968 111.4900 63.6873 67.6105 173.3719 20 H 4.7227 8.2342 120.5229 54.2468 31.6473 172.1832 21 P 4.5862 0.0000 0.0000 62.9951 30.9961 178.1189 22 G 3.7500 7.9006 107.8994 44.5161 0.0000 173.7209 23 K 4.4028 7.3951 118.8074 55.4051 35.5454 174.4761 24 F 3.6791 8.5184 121.4262 59.9113 37.0827 175.2392 25 T 4.1992 7.4346 115.5963 62.5730 69.6292 175.0886 26 D 4.2504 7.5928 119.4399 53.9249 38.6883 172.8389 27 D 4.8069 7.2311 115.4156 52.7199 44.5847 176.2306 28 F 4.1256 8.8513 123.7920 60.5997 38.9721 177.5451 29 D 4.3794 8.7237 117.9327 57.4606 40.9190 178.4023 30 T 3.8563 7.9944 115.7514 66.9347 68.6264 176.2912 31 N 4.3299 7.9838 117.7767 55.8292 38.4490 177.3985 32 K 3.9398 8.2659 121.3247 59.7153 32.3496 179.0823 33 K 4.0520 8.2003 118.6368 59.2096 31.7021 179.0594 34 L 4.1206 8.0540 120.3388 58.1960 42.3421 179.0735 35 V 3.8277 7.9408 118.0527 66.2141 31.3622 177.9966 36 E 4.2124 8.3529 118.3956 58.2821 29.3768 178.5278 37 E 4.2532 8.3594 116.5045 58.3883 30.0111 175.8235 38 F 4.4236 8.1733 119.1425 54.4117 41.9763 172.0141 39 S 3.7151 8.4932 129.5107 58.8120 60.7055 171.5402 40 T 4.5059 8.4265 117.3694 61.0350 68.3308 173.2735 41 V 4.3855 7.6973 118.4973 59.6528 33.3144 175.7175 42 S 4.3271 8.3722 118.7899 58.7592 64.2182 170.1761 43 T 3.3468 8.4495 125.3593 62.9326 65.9455 173.3021 44 K 4.0105 8.4812 127.0079 59.5463 32.4206 178.8441 45 H 4.4040 8.1513 117.0167 57.6019 30.5104 176.3622 46 L 4.0320 7.8401 120.6281 57.9408 41.7181 178.4013 47 R 3.9584 7.7291 118.7172 59.3399 29.8495 178.1329 48 N 4.3279 7.8555 116.6260 56.3316 38.5000 177.5110 49 K 4.0814 7.9714 119.3111 59.2455 32.1802 179.4585 50 I 3.7063 7.6410 119.5849 64.3698 37.1268 178.2587 51 A 4.1746 8.4005 122.0217 55.2704 18.2080 179.9849 52 G 3.7014 8.4646 104.3077 47.8649 0.0000 175.3948 53 Y 3.9739 8.2650 121.9543 60.5863 38.7565 178.0355 54 I 3.7068 7.9983 120.6283 64.9263 37.2940 178.2484 55 T 3.6379 7.6411 115.8464 66.7843 68.3416 176.5283 56 R 3.8580 7.8562 121.5370 58.9464 29.9292 178.5708 57 I 3.5944 7.4745 118.3491 64.3622 37.4922 178.2181 58 I 3.9979 7.9895 121.0334 64.5453 36.7724 178.7614 59 S 4.1617 8.1533 114.9865 61.3044 62.5673 176.0401 60 Q 4.2310 7.7804 119.7943 57.6001 28.7161 177.5783 61 Q 4.0617 7.6616 120.2908 58.6501 29.1909 175.4747 62 K 4.1621 8.0783 124.1813 56.5955 32.4063 176.0875 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 4.54 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 2 G 8.08 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.40 4.72 0.00 2.74 2.79 0.00 0.00 6.79 7.46 0.00 0.00 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 I 8.01 3.70 1.91 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 1.32 0.49 0.94 0.00 0.00 5 R 7.84 3.87 0.00 1.97 1.97 0.00 3.27 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 6 T 7.77 4.54 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 7 S 8.15 4.13 0.00 3.85 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.21 4.08 0.00 3.09 3.08 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 9 V 7.85 3.61 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 0.80 0.00 0.00 0.93 0.00 0.00 10 K 7.80 3.86 0.00 1.88 2.01 0.00 1.94 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.68 7.81 11 R 7.96 3.86 0.00 1.86 2.09 0.00 3.10 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 12 I 7.82 3.73 2.02 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 1.49 0.44 0.95 0.00 0.00 13 A 8.02 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 3.84 0.00 1.97 1.87 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.60 7.81 15 E 8.40 3.91 0.00 2.18 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 0.00 2.43 2.46 0.00 16 M 7.92 3.64 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.68 0.00 17 I 7.94 3.83 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 0.89 0.00 0.00 18 E 8.33 4.01 0.00 2.09 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 2.29 2.32 0.00 19 T 6.90 4.19 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 0.76 0.00 0.00 20 H 8.23 4.72 0.00 3.09 3.04 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.59 0.00 2.10 2.06 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 22 G 7.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.40 4.40 0.00 1.70 1.71 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.41 7.81 24 F 8.52 3.68 0.00 3.10 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 25 T 7.43 4.20 4.15 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 1.14 0.00 0.00 26 D 7.59 4.25 0.00 2.61 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 0.00 0.00 0.00 0.00 27 D 7.23 4.81 0.00 2.75 2.43 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 0.00 0.00 0.00 0.00 28 F 8.85 4.13 0.00 3.16 3.08 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 29 D 8.72 4.38 0.00 2.75 2.85 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 30 T 7.99 3.86 4.31 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 1.18 0.00 0.00 31 N 7.98 4.33 0.00 2.72 2.87 0.00 0.00 6.55 7.89 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 32 K 8.27 3.94 0.00 2.02 2.08 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.53 7.81 33 K 8.20 4.05 0.00 2.05 1.87 0.00 1.65 0.00 0.00 1.98 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.51 7.81 34 L 8.05 4.12 0.00 1.73 1.92 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.94 3.83 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.08 0.00 0.00 36 E 8.35 4.21 0.00 2.04 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 2.37 2.47 0.00 37 E 8.36 4.25 0.00 2.20 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 0.00 2.64 2.44 0.00 38 F 8.17 4.42 0.00 2.97 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 39 S 8.49 3.72 0.00 4.03 3.87 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 40 T 8.43 4.51 4.03 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 1.44 0.00 0.00 41 V 7.70 4.39 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 0.92 0.00 0.00 0.94 0.00 0.00 42 S 8.37 4.33 0.00 3.87 3.83 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 43 T 8.45 3.35 4.25 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 1.26 0.00 0.00 44 K 8.48 4.01 0.00 1.80 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.38 7.81 45 H 8.15 4.40 0.00 3.15 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.84 4.03 0.00 1.83 1.94 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.73 3.96 0.00 1.92 2.03 0.00 3.18 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 48 N 7.86 4.33 0.00 2.78 2.81 0.00 0.00 6.87 7.62 0.00 0.00 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 K 7.97 4.08 0.00 1.95 1.89 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.52 7.81 50 I 7.64 3.71 2.07 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 1.71 1.12 0.96 0.00 0.00 51 A 8.40 4.17 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 52 G 8.46 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.26 3.97 0.00 3.37 3.13 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 0.00 0.00 0.00 54 I 8.00 3.71 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.97 0.93 0.00 0.00 55 T 7.64 3.64 4.15 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 0.19 0.00 0.00 56 R 7.86 3.86 0.00 1.89 1.89 0.00 3.07 0.00 0.00 3.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 57 I 7.47 3.59 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.88 0.00 0.00 58 I 7.99 4.00 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.35 0.91 0.00 0.00 59 S 8.15 4.16 0.00 4.02 4.04 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 60 Q 7.78 4.23 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.01 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 61 Q 7.66 4.06 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.22 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 62 K 8.08 4.16 0.00 2.23 1.82 0.00 2.12 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.63 7.81