NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2906 8.3044 120.3487 55.5422 33.5193 173.8035 2 K 3.6001 8.3432 118.4282 57.1254 29.9286 174.3811 3 R 4.2510 8.4802 119.1900 57.2575 32.1240 176.6033 4 E 4.8018 7.6282 115.7513 54.6831 33.7435 174.1153 5 I 4.6842 7.6412 112.4893 60.1723 41.1834 174.7932 6 L 4.3002 8.3643 114.2693 55.0643 39.9112 172.1761 7 K 3.9475 7.5253 120.7470 56.7973 32.5029 173.7600 8 H 5.0170 7.6394 116.5965 54.0379 31.0096 175.2866 9 Q 4.0581 8.7397 123.5358 59.1804 28.7339 177.3236 10 L 4.4596 7.4939 114.9563 54.0044 43.2201 176.2289 11 V 4.5441 7.7753 111.1947 59.2210 35.2620 173.8357 12 P 4.6568 0.0000 0.0000 62.3793 33.4783 174.9367 13 E 4.2610 8.2309 119.7445 55.8310 30.4543 175.7053 14 H 5.1717 8.3919 122.8431 54.5209 29.7118 174.9102 15 V 4.4496 8.7790 123.9403 61.0203 34.7041 174.1665 16 I 4.5782 8.2229 126.7487 60.1669 38.2000 175.0662 17 L 4.7737 9.1512 128.0186 52.8827 44.5729 175.9644 18 N 4.6844 8.5457 118.9712 52.5606 39.8001 175.8912 19 E 3.5098 8.9905 122.2709 59.6529 29.4793 179.8553 20 S 4.1072 7.9524 113.5870 61.4209 63.6416 175.8852 21 E 3.9387 8.1598 122.9917 58.7433 29.4140 178.5052 22 A 4.3721 9.0747 121.8153 54.7225 18.3588 179.8667 23 K 3.9914 7.8909 117.2413 59.6456 32.0772 179.6357 24 R 3.8968 7.8514 115.8823 59.2544 29.2674 178.8960 25 V 3.6958 7.6772 118.7307 65.4322 31.6013 177.3752 26 L 3.7215 8.0552 120.2970 58.4778 41.8170 179.3300 27 K 4.7460 7.9095 119.2529 58.7546 31.7027 179.2921 28 E 3.9134 8.7511 119.6300 59.1995 29.4630 178.7169 29 L 4.0086 8.0375 117.1758 55.0953 42.4880 175.9644 30 D 4.4459 9.3209 117.0258 53.9514 39.4826 172.7283 31 A 4.3504 7.2956 119.3846 52.3513 23.1735 175.3787 32 H 5.4372 7.9755 115.7326 53.0093 32.2128 173.5725 33 P 4.3408 0.0000 0.0000 65.8078 31.2173 177.5116 34 E 4.0730 8.2419 116.0509 59.3771 29.4982 178.3555 35 Q 4.0424 7.9331 117.3152 58.5350 29.0983 176.5414 36 L 4.1248 7.6669 116.7695 54.3025 42.4390 175.1283 37 P 4.6324 0.0000 0.0000 62.5818 32.8934 175.1326 38 K 4.7913 8.4898 121.4204 53.8080 34.6007 175.2988 39 I 4.4326 8.1935 125.4573 59.3753 39.4305 175.5749 40 K 5.0201 8.8674 125.7520 56.2676 32.7068 178.1036 41 T 4.0320 8.6284 113.2990 64.6449 68.6199 175.6825 42 T 4.0445 7.9931 112.0005 64.2438 69.5860 174.9506 43 D 4.5821 7.9972 121.8893 52.8822 41.5406 175.3377 44 P 4.2983 0.0000 0.0000 65.7524 30.5135 178.6529 45 V 3.5317 7.8494 118.0070 65.0336 31.3774 177.8355 46 A 4.0833 7.9306 121.2120 54.8194 18.1211 179.5603 47 K 3.8525 8.1528 114.8671 58.6015 32.7028 177.5468 48 A 4.2069 8.4511 122.3858 52.7631 19.1165 176.9316 49 I 3.1361 9.1622 112.9814 61.4365 36.7081 174.0061 50 G 3.9986 8.2490 104.9238 46.1821 0.0000 174.3007 51 A 4.1604 7.7619 121.4116 51.6077 19.3521 177.7555 52 K 4.5536 8.0836 117.9738 54.1812 35.5995 175.0414 53 R 3.7660 8.4292 119.8328 61.0878 29.1241 175.2444 54 G 4.1676 8.6915 114.9047 45.1239 0.0000 171.3573 55 D 4.9947 8.3677 120.0853 52.2210 43.6250 175.3423 56 I 4.9005 8.0540 123.0506 59.9801 39.5367 174.9988 57 V 4.6257 8.7733 125.7164 59.8152 34.3019 174.4917 58 K 4.0286 9.3841 125.9114 54.7906 33.9105 174.7165 59 I 5.5238 8.2442 128.7426 58.8074 39.0277 174.6674 60 I 4.9713 8.4698 127.2176 59.5698 40.2402 174.5114 61 R 4.8759 9.6252 126.5928 54.4402 32.4658 175.0814 62 K 4.7676 8.7279 123.7338 55.4809 33.7075 176.1584 63 S 4.9770 9.1785 120.3429 55.4564 67.7498 171.8042 64 P 4.4483 0.0000 0.0000 64.5807 31.5207 176.1379 65 T 3.1077 8.4889 109.6180 63.9933 65.8908 171.1186 66 A 3.6328 7.8446 117.7670 54.2872 16.5532 178.1455 67 E 4.5204 8.0483 122.3650 55.8241 31.0341 174.5228 68 E 5.2429 8.7051 126.8689 54.7076 31.6277 175.5471 69 F 4.5705 9.7232 124.1436 55.7076 41.4245 174.5813 70 V 5.0417 8.3984 123.7792 61.4116 33.7710 174.7274 71 T 4.7533 9.0779 121.2973 60.8489 70.6673 171.8218 72 Y 5.6722 8.8512 126.0380 55.9782 40.1105 174.9400 73 R 4.9317 8.3499 122.5220 53.3818 33.2120 173.3334 74 L 4.8542 8.4229 128.0341 53.5012 44.3289 175.1707 75 V 4.3025 8.8440 127.5701 62.8782 32.4658 174.5110 76 Q 4.8814 8.5358 128.5720 54.1977 32.9510 175.0910 77 D 4.5196 8.5872 122.1357 54.6430 41.0686 176.5478 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 4.29 0.00 1.99 2.06 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 2.54 0.00 2 K 8.34 3.60 0.00 1.98 1.82 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.52 7.81 3 R 8.48 4.25 0.00 1.84 1.89 0.00 3.37 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 1.66 1.58 0.00 4 E 7.63 4.80 0.00 1.89 1.81 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 0.00 2.20 2.26 0.00 5 I 7.64 4.68 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.59 0.91 0.00 0.00 6 L 8.36 4.30 0.00 1.71 1.68 0.93 0.40 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 7 K 7.53 3.95 0.00 1.88 1.81 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.19 1.41 7.81 8 H 7.64 5.02 0.00 3.12 3.19 0.00 5.96 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 9 Q 8.74 4.06 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 10 L 7.49 4.46 0.00 1.63 1.65 0.91 0.81 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 11 V 7.78 4.54 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 0.88 0.00 0.00 0.95 0.00 0.00 12 P 0.00 4.66 0.00 2.16 2.17 0.00 3.85 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 2.10 2.06 0.00 13 E 8.23 4.26 0.00 2.12 1.91 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 2.25 2.26 0.00 14 H 8.39 5.17 0.00 3.01 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.78 4.45 2.01 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 1.04 0.00 0.00 0.92 0.00 0.00 16 I 8.22 4.58 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.68 0.87 0.00 0.00 17 L 9.15 4.77 0.00 1.54 1.54 0.29 0.67 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 18 N 8.55 4.68 0.00 2.84 2.73 0.00 0.00 6.56 7.66 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 19 E 8.99 3.51 0.00 2.03 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 2.40 2.41 0.00 20 S 7.95 4.11 0.00 4.10 4.11 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 21 E 8.16 3.94 0.00 2.08 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 2.42 2.41 0.00 22 A 9.07 4.37 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 23 K 7.89 3.99 0.00 2.23 1.91 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.53 7.81 24 R 7.85 3.90 0.00 2.07 2.20 0.00 2.79 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 25 V 7.68 3.70 2.15 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 0.57 0.00 0.00 1.11 0.00 0.00 26 L 8.06 3.72 0.00 2.03 1.85 1.13 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.91 4.75 0.00 1.85 1.75 0.00 1.23 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.44 1.32 7.81 28 E 8.75 3.91 0.00 1.88 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 2.28 2.47 0.00 29 L 8.04 4.01 0.00 1.66 1.57 0.66 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 D 9.32 4.45 0.00 2.69 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 31 A 7.30 4.35 1.21 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 0.00 0.00 0.00 32 H 7.98 5.44 0.00 3.13 3.20 0.00 5.64 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 33 P 0.00 4.34 0.00 2.18 2.24 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 34 E 8.24 4.07 0.00 2.10 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 2.31 2.31 0.00 35 Q 7.93 4.04 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 36 L 7.67 4.12 0.00 1.80 1.76 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.63 0.00 2.13 2.18 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 38 K 8.49 4.79 0.00 1.62 1.99 0.00 1.82 0.00 0.00 2.09 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.22 7.81 39 I 8.19 4.43 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.15 0.96 0.00 0.00 40 K 8.87 5.02 0.00 1.67 1.73 0.00 1.96 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.23 7.81 41 T 8.63 4.03 4.24 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 1.26 0.00 0.00 42 T 7.99 4.04 4.24 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 1.21 0.00 0.00 43 D 8.00 4.58 0.00 2.97 2.62 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 44 P 0.00 4.30 0.00 2.24 2.33 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 45 V 7.85 3.53 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 1.01 0.00 0.00 0.91 0.00 0.00 46 A 7.93 4.08 1.41 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 47 K 8.15 3.85 0.00 1.87 1.91 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.47 7.81 48 A 8.45 4.21 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 49 I 9.16 3.14 1.87 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 1.33 0.61 0.94 0.00 0.00 50 G 8.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.76 4.16 1.29 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 0.00 0.00 0.00 52 K 8.08 4.55 0.00 1.89 1.88 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.57 1.37 7.81 53 R 8.43 3.77 0.00 1.78 1.95 0.00 3.37 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 54 G 8.69 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.37 4.99 0.00 2.82 2.53 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 0.00 0.00 0.00 0.00 56 I 8.05 4.90 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.88 0.90 0.00 0.00 57 V 8.77 4.63 2.01 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 0.69 0.00 0.00 0.90 0.00 0.00 58 K 9.38 4.03 0.00 0.94 1.35 0.00 1.56 0.00 0.00 1.85 0.00 0.00 3.30 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.35 1.41 7.81 59 I 8.24 5.52 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.42 0.99 0.00 0.00 60 I 8.47 4.97 1.92 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 1.41 0.93 0.97 0.00 0.00 61 R 9.63 4.88 0.00 1.92 1.88 0.00 3.18 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 62 K 8.73 4.77 0.00 1.66 1.77 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.43 7.81 63 S 9.18 4.98 0.00 4.00 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 64 P 0.00 4.45 0.00 2.19 2.07 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 65 T 8.49 3.11 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 1.23 0.00 0.00 66 A 7.84 3.63 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 67 E 8.05 4.52 0.00 2.41 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 2.39 2.48 0.00 68 E 8.71 5.24 0.00 1.89 1.87 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 2.27 2.36 0.00 69 F 9.72 4.57 0.00 2.95 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 70 V 8.40 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 0.97 0.00 0.00 0.98 0.00 0.00 71 T 9.08 4.75 4.35 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 1.30 0.00 0.00 72 Y 8.85 5.67 0.00 2.79 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 73 R 8.35 4.93 0.00 1.90 1.72 0.00 3.26 0.00 0.00 3.22 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 74 L 8.42 4.85 0.00 1.79 1.52 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.84 4.30 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 0.91 0.00 0.00 0.97 0.00 0.00 76 Q 8.54 4.88 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 77 D 8.59 4.52 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00