NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4824 8.1627 118.3307 55.1411 33.5547 173.7146 2 Q 4.5889 8.3594 121.4937 53.8573 30.7019 172.9746 3 I 5.1075 9.2421 119.5911 59.2937 42.3561 173.2191 4 F 5.0362 9.3397 121.4375 55.7102 41.6397 175.1321 5 V 4.8072 9.0350 122.9973 61.0332 34.0923 173.9216 6 K 5.1391 9.0118 129.9926 54.7939 34.8876 176.0897 7 T 5.2433 8.7413 117.4492 60.2176 69.9491 175.2609 8 L 4.2774 8.3385 120.3824 56.1908 41.7694 177.8706 9 T 4.2608 7.6502 108.6503 61.3772 69.0264 175.8172 10 G 3.9148 8.0859 111.2998 44.8371 0.0000 173.7597 11 K 4.0975 7.9296 122.1904 56.9717 33.1606 175.3844 12 T 5.2802 8.6357 124.1232 61.7168 71.2824 173.4588 13 I 4.8174 8.9132 119.1489 59.2664 41.2635 174.3478 14 T 4.7588 8.3093 112.8449 60.0865 71.3330 173.4490 15 L 4.7796 8.3826 121.6932 53.0311 46.4381 174.9261 16 E 4.9355 8.6777 123.0533 55.1988 30.5513 175.3683 17 V 4.7487 8.6619 119.3260 59.9478 36.3560 174.3361 18 E 4.7563 9.2895 120.9615 53.9191 32.2372 176.0154 19 P 4.1780 0.0000 0.0000 65.6038 31.5464 178.3595 20 S 4.3778 7.9051 110.1820 59.0773 63.8175 174.1626 21 D 4.5750 8.1720 123.6485 54.4885 41.2842 176.3143 22 T 4.6741 8.8200 114.4027 61.1428 71.1662 176.0739 23 I 3.7154 8.5428 122.7727 64.4368 36.9888 178.3262 24 E 3.9369 8.3805 120.2020 59.5047 29.4314 178.6198 25 N 4.3062 8.3159 116.5259 56.3290 38.4884 177.5620 26 V 3.5584 7.7732 119.5552 65.9624 31.5690 178.1517 27 K 4.2534 8.7318 119.7780 58.9231 31.7859 179.1273 28 A 3.9829 8.2261 121.0421 55.0926 18.2835 179.8950 29 K 3.9256 8.0104 117.0813 59.5503 32.0127 179.6893 30 I 3.7072 8.0871 120.5302 64.2712 36.9204 178.2152 31 Q 4.1171 8.2372 121.9414 58.8135 28.6942 177.9170 32 D 4.3317 8.0478 118.7702 57.3118 40.9418 178.3555 33 K 4.1985 7.9359 118.4536 57.9124 32.5758 176.9804 34 E 4.4893 8.2480 115.4170 54.9560 31.2421 176.4210 35 G 3.8485 8.2515 106.7724 46.3096 0.0000 173.3360 36 I 4.2288 7.4548 120.8777 58.7455 38.2501 173.9395 37 P 4.4123 0.0000 0.0000 61.7368 32.1221 175.8785 38 P 4.3198 0.0000 0.0000 65.6974 31.5416 178.6405 39 D 4.4120 8.0910 116.9760 57.0897 40.9388 177.0622 40 Q 4.5243 8.0504 115.7913 55.6175 29.3169 174.6990 41 Q 4.9010 7.8996 118.8201 54.1947 31.2167 174.7531 42 R 4.6650 8.8640 122.5137 54.4277 33.2656 174.4760 43 L 5.1584 8.5097 123.8955 53.1724 44.4469 175.5739 44 I 5.0612 8.8374 123.5199 59.5332 41.1999 174.2337 45 F 5.0062 8.6706 127.6777 56.8120 43.0198 174.3677 46 A 3.3961 8.6711 126.9539 53.1503 15.8416 178.3321 47 G 3.9149 8.3666 106.2090 46.8094 0.0000 174.3585 48 K 4.6360 7.7407 119.3952 54.4895 34.8787 175.5890 49 Q 4.6220 8.5480 120.7529 56.1617 29.4022 175.3913 50 L 4.4933 8.3918 123.4141 53.2800 43.7546 176.1479 51 E 4.3102 9.6275 123.2706 55.8439 30.5040 177.4438 52 D 4.4069 9.2273 124.2969 57.5985 41.0614 178.9167 53 G 3.7629 7.9864 105.0969 46.7728 0.0000 173.8271 54 R 4.4194 7.8116 119.4320 55.6075 31.2236 175.8311 55 T 4.9532 8.2991 110.7383 60.4177 71.9518 175.9081 56 L 4.1171 8.4251 122.1357 58.1831 41.6138 180.2336 57 S 4.1620 8.4180 114.2669 61.3534 62.6571 175.9679 58 D 4.2894 7.8852 121.8519 57.2834 40.6439 177.6801 59 Y 4.5096 7.3490 112.1985 56.7005 38.3154 174.8253 60 N 4.1132 7.9081 117.3315 54.4062 38.0619 174.1488 61 I 3.5918 7.6578 117.7768 60.4993 37.4199 176.0783 62 Q 4.5619 8.0492 124.9736 53.1024 31.0414 175.0940 63 K 3.9639 8.3717 117.6781 59.0242 32.4437 176.7317 64 E 4.0962 9.3684 119.8059 57.0590 27.9497 174.9438 65 S 4.5391 7.9103 115.5772 59.0886 64.3235 173.1210 66 T 5.1705 8.5883 118.4650 62.0899 70.2173 173.8867 67 L 4.9883 8.9983 126.6876 53.6459 44.3760 175.3462 68 H 5.2765 9.2721 119.7080 54.3804 31.6524 173.7221 69 L 5.1144 8.8698 123.6382 53.3416 44.7667 175.0685 70 V 4.6808 8.7748 126.5365 61.0869 34.0571 174.2715 71 L 4.9155 8.4979 127.3883 53.9447 42.6767 176.0602 72 R 4.5418 9.0206 124.0729 54.6914 32.3773 174.3124 73 L 4.6993 8.2062 127.3898 53.5429 45.2076 175.5500 74 R 4.0683 8.3749 124.7590 57.0863 30.6365 177.0647 75 G 3.9930 10.4962 108.4369 45.3358 0.0000 173.9569 76 G 3.7317 7.5193 112.9014 46.1822 0.0000 173.3097 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 8.16 4.48 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.69 0.00 2 Q 8.36 4.59 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 3 I 9.24 5.11 1.99 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 1.18 0.70 0.89 0.00 0.00 4 F 9.34 5.04 0.00 3.02 3.01 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 5 V 9.03 4.81 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 1.05 0.00 0.00 0.93 0.00 0.00 6 K 9.01 5.14 0.00 1.87 1.59 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.38 7.81 7 T 8.74 5.24 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 8 L 8.34 4.28 0.00 1.67 1.75 0.91 0.80 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 9 T 7.65 4.26 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 1.22 0.00 0.00 10 G 8.09 3.91 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 0.00 0.00 0.00 11 K 7.93 4.10 0.00 1.91 1.73 0.00 1.57 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.52 1.55 7.81 12 T 8.64 5.28 4.33 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 1.45 0.00 0.00 13 I 8.91 4.82 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 1.29 1.11 0.95 0.00 0.00 14 T 8.31 4.76 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 15 L 8.38 4.78 0.00 1.53 1.47 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.68 4.94 0.00 1.90 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 2.36 0.00 17 V 8.66 4.75 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 0.71 0.00 0.00 0.90 0.00 0.00 18 E 9.29 4.76 0.00 1.82 1.80 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 2.20 2.38 0.00 19 P 0.00 4.18 0.00 2.16 2.10 0.00 3.58 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 2.10 2.07 0.00 20 S 7.91 4.38 0.00 3.97 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 21 D 8.17 4.58 0.00 2.82 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 22 T 8.82 4.67 4.45 0.00 0.00 0.00 0.00 0.00 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 23 I 8.54 3.72 2.05 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 1.83 1.04 0.96 0.00 0.00 24 E 8.38 3.94 0.00 2.16 1.96 0.00 0.00 0.00 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 2.41 0.00 25 N 8.32 4.31 0.00 3.00 2.85 0.00 0.00 6.69 7.70 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 26 V 7.77 3.56 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.99 0.00 0.00 27 K 8.73 4.25 0.00 1.97 1.85 0.00 1.82 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.53 7.81 28 A 8.23 3.98 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 29 K 8.01 3.93 0.00 1.99 1.85 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.64 7.81 30 I 8.09 3.71 2.13 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 1.40 0.77 0.91 0.00 0.00 31 Q 8.24 4.12 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 32 D 8.05 4.33 0.00 2.83 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 33 K 7.94 4.20 0.00 1.74 1.80 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.45 7.81 34 E 8.25 4.49 0.00 2.08 1.92 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 2.21 2.35 0.00 35 G 8.25 3.85 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 0.00 0.00 0.00 36 I 7.45 4.23 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 1.42 1.02 0.91 0.00 0.00 37 P 0.00 4.41 0.00 2.18 1.97 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.32 0.00 2.18 2.10 0.00 3.60 0.00 0.00 3.85 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 39 D 8.09 4.41 0.00 2.65 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.05 4.52 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 41 Q 7.90 4.90 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 42 R 8.86 4.67 0.00 1.79 1.80 0.00 3.27 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.51 5.16 0.00 1.56 1.54 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.84 5.06 1.91 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 1.11 0.67 0.88 0.00 0.00 45 F 8.67 5.01 0.00 3.01 2.70 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 46 A 8.67 3.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.37 3.91 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 0.00 0.00 0.00 48 K 7.74 4.64 0.00 1.94 1.91 0.00 1.49 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.37 7.81 49 Q 8.55 4.62 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 50 L 8.39 4.49 0.00 1.38 1.23 0.66 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.63 4.31 0.00 2.03 1.94 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 2.39 2.44 0.00 52 D 9.23 4.41 0.00 2.76 2.76 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 53 G 7.99 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 54 R 7.81 4.42 0.00 2.03 1.77 0.00 3.12 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 55 T 8.30 4.95 4.42 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 1.27 0.00 0.00 56 L 8.43 4.12 0.00 1.85 1.72 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.42 4.16 0.00 4.02 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 58 D 7.89 4.29 0.00 2.64 2.38 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 59 Y 7.35 4.51 0.00 2.88 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 60 N 7.91 4.11 0.00 2.89 2.94 0.00 0.00 7.14 8.08 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 61 I 7.66 3.59 1.77 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.27 0.61 0.00 0.00 62 Q 8.05 4.56 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 63 K 8.37 3.96 0.00 1.88 1.85 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.52 7.81 64 E 9.37 4.10 0.00 2.20 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 0.00 2.31 2.50 0.00 65 S 7.91 4.54 0.00 3.82 3.93 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 0.00 0.00 0.00 66 T 8.59 5.17 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 1.12 0.00 0.00 67 L 9.00 4.99 0.00 1.60 1.60 0.88 0.90 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 68 H 9.27 5.28 0.00 3.04 3.21 0.00 5.55 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 69 L 8.87 5.11 0.00 1.73 1.51 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.77 4.68 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 0.92 0.00 0.00 0.94 0.00 0.00 71 L 8.50 4.92 0.00 1.57 1.58 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.02 4.54 0.00 1.87 1.77 0.00 3.14 0.00 0.00 3.10 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 73 L 8.21 4.70 0.00 1.59 1.47 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.37 4.07 0.00 1.84 1.85 0.00 3.25 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 75 G 10.50 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 0.00 0.00 0.00 76 G 7.52 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00