NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4398 8.1627 118.3264 55.2655 33.5696 173.3457 2 Q 4.7568 8.2651 121.2310 53.0039 30.9294 172.8529 3 I 4.7040 9.2086 120.3113 59.0663 42.0788 173.4606 4 F 5.2354 8.9248 121.3410 55.9261 41.4781 175.2902 5 V 4.8802 8.9968 122.6498 61.1371 34.1575 174.3041 6 K 5.1962 8.9922 127.4663 54.7670 35.5257 176.4314 7 T 4.9010 8.7593 115.2577 60.1005 70.4539 174.1864 8 L 4.5597 8.3360 119.1802 55.0679 41.4924 177.3869 9 T 4.4835 7.9987 107.0532 61.2816 68.9152 175.0532 10 G 3.9075 8.5572 109.4065 45.3330 0.0000 173.4753 11 K 4.4352 7.6903 121.7823 55.8210 33.7033 175.4262 12 T 5.3416 8.4963 123.0144 61.8149 72.1937 173.0302 13 I 4.9126 8.8753 118.2214 59.4216 41.5458 174.3064 14 T 4.8970 8.4387 112.6882 60.4972 71.0428 173.6512 15 L 4.6754 8.4322 123.8248 53.4658 46.0298 174.3688 16 E 4.8069 8.7474 126.8776 55.3398 30.3550 175.3783 17 V 4.7087 8.8111 119.6822 59.8261 36.3381 174.6137 18 E 4.5232 9.3041 122.0262 54.4450 31.0542 176.0152 19 P 4.1685 0.0000 0.0000 65.5342 31.5640 178.0232 20 S 4.4759 7.8635 109.7797 58.4701 63.8386 174.0509 21 D 4.4201 8.0263 123.6083 54.6418 41.2462 176.3430 22 T 4.6564 8.2548 114.0687 61.2906 71.2369 175.7847 23 I 3.7151 8.4874 123.2286 64.4964 37.1285 178.3855 24 E 3.9243 8.2448 120.2378 59.4393 29.4320 178.5222 25 N 4.3418 8.2378 117.0046 56.4622 38.8793 177.0490 26 V 3.5651 7.9796 119.9005 65.8791 31.5470 178.0751 27 K 4.3920 8.4849 119.3633 58.9769 31.9084 179.1488 28 A 4.0072 7.9861 120.8068 55.0936 18.3926 179.8760 29 K 3.9743 8.2191 117.1520 59.6022 32.0880 179.6910 30 I 3.7409 8.1482 120.6005 64.2543 36.9173 178.1775 31 Q 4.1881 8.3568 122.1907 58.8435 28.6602 178.1828 32 D 4.3212 7.9782 118.8138 56.9721 40.8787 178.1593 33 K 4.1812 7.8255 118.7575 58.2283 32.5920 177.6419 34 E 4.6151 8.5837 116.0049 55.0526 30.9836 177.1402 35 G 3.8768 8.0979 106.7925 45.5479 0.0000 173.4127 36 I 4.0360 7.3845 121.4986 59.4004 37.7890 173.6728 37 P 4.4942 0.0000 0.0000 62.2636 31.9110 175.3042 38 P 4.2340 0.0000 0.0000 65.8078 31.3893 178.1659 39 D 4.4120 8.0313 115.6799 55.7212 39.6328 176.9946 40 Q 4.5224 8.1405 117.9051 56.2554 29.4996 175.0958 41 Q 4.7792 7.9990 118.4838 54.8312 30.8227 175.0291 42 R 4.8817 8.9146 121.6239 54.4319 33.9763 174.3389 43 L 5.2507 8.5566 123.0233 53.1429 44.9398 175.3991 44 I 5.1530 8.5465 122.2133 59.7165 41.3261 174.2732 45 F 5.0341 9.1186 127.0243 57.2897 43.3399 173.7798 46 A 3.4257 8.5477 126.1529 53.2154 15.8389 178.4025 47 G 3.9116 8.3619 106.2556 46.7655 0.0000 174.0587 48 K 4.6410 7.6561 118.1678 54.3510 35.7213 174.9543 49 Q 4.6372 8.4390 121.4141 56.0093 29.4151 175.6159 50 L 4.2776 8.9231 127.0913 54.6049 43.0586 176.0208 51 E 4.5991 8.8540 121.3338 54.8673 31.1104 177.0439 52 D 4.3866 9.1461 124.1312 57.3419 41.0494 178.3798 53 G 3.9297 7.9612 104.4316 45.5499 0.0000 173.6913 54 R 4.4028 7.9693 120.0574 55.3727 31.1511 175.7228 55 T 5.0161 8.2528 109.9729 59.6392 71.3597 175.6931 56 L 3.9396 8.5833 122.6688 58.0999 41.9181 180.4092 57 S 4.1540 8.2279 113.0213 61.1825 63.0979 176.0210 58 D 4.1413 7.7499 120.3159 56.8644 40.5004 176.8584 59 Y 4.5800 7.0641 113.4163 56.9730 38.3038 174.9174 60 N 4.1901 8.1482 117.4494 54.4802 37.8943 173.9393 61 I 3.6889 7.5795 117.8326 60.6055 37.5930 175.4979 62 Q 4.7341 8.6103 124.8393 53.1754 32.2604 174.5528 63 K 4.1627 8.5132 117.3183 59.1364 32.5148 176.5045 64 E 3.8238 9.4316 120.6300 57.0545 27.8398 174.7532 65 S 4.6173 7.9695 115.7145 59.1003 64.3123 173.1085 66 T 5.2801 8.6549 117.6484 61.9953 70.8626 173.7026 67 L 5.0736 9.0322 125.7931 53.4786 44.8897 175.2364 68 H 5.3072 8.9761 119.2523 54.3622 31.3774 173.6651 69 L 5.2758 9.0099 123.7222 53.4730 44.7123 175.6626 70 V 4.7032 8.7900 118.3714 59.5641 36.0225 174.2457 71 L 5.0967 8.4782 121.9906 53.1303 43.9209 176.1966 72 R 4.4171 9.0384 124.3227 54.5889 31.8720 175.8834 73 L 4.2438 8.3671 125.3933 54.9060 41.8469 177.0665 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 4.44 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.71 0.00 2 Q 8.27 4.76 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 1.80 2.11 0.00 3 I 9.21 4.70 1.93 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 1.13 0.56 0.83 0.00 0.00 4 F 8.92 5.24 0.00 3.08 2.99 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 5 V 9.00 4.88 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 1.07 0.00 0.00 0.93 0.00 0.00 6 K 8.99 5.20 0.00 1.60 1.65 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.35 7.81 7 T 8.76 4.90 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 4.56 0.00 1.64 1.71 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.00 4.48 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 8.56 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 7.69 4.44 0.00 1.86 1.69 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.48 7.81 12 T 8.50 5.34 4.27 0.00 0.00 0.00 0.00 0.00 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 13 I 8.88 4.91 1.89 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 1.45 1.36 1.00 0.00 0.00 14 T 8.44 4.90 4.06 0.00 0.00 0.00 0.00 0.00 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 15 L 8.43 4.68 0.00 1.68 1.41 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.75 4.81 0.00 1.95 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 2.21 2.36 0.00 17 V 8.81 4.71 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 0.70 0.00 0.00 0.92 0.00 0.00 18 E 9.30 4.52 0.00 1.92 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 0.00 2.48 2.40 0.00 19 P 0.00 4.17 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 20 S 7.86 4.48 0.00 3.96 3.95 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 21 D 8.03 4.42 0.00 2.89 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 8.25 4.66 4.46 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 0.00 0.00 0.00 1.21 0.00 0.00 23 I 8.49 3.72 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.12 0.98 0.00 0.00 24 E 8.24 3.92 0.00 2.18 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 2.31 2.33 0.00 25 N 8.24 4.34 0.00 2.88 2.89 0.00 0.00 6.88 7.08 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 26 V 7.98 3.57 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 1.05 0.00 0.00 0.96 0.00 0.00 27 K 8.48 4.39 0.00 2.02 1.85 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.48 7.81 28 A 7.99 4.01 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 8.22 3.97 0.00 1.98 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.60 7.81 30 I 8.15 3.74 2.15 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 1.41 0.67 0.92 0.00 0.00 31 Q 8.36 4.19 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 32 D 7.98 4.32 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.18 0.00 1.87 1.82 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 34 E 8.58 4.62 0.00 2.02 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 2.24 2.43 0.00 35 G 8.10 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.38 4.04 1.88 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 1.42 1.25 0.92 0.00 0.00 37 P 0.00 4.49 0.00 2.26 2.00 0.00 3.63 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 38 P 0.00 4.23 0.00 2.17 2.13 0.00 3.60 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.03 4.41 0.00 2.77 2.81 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 0.00 0.00 0.00 40 Q 8.14 4.52 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 41 Q 8.00 4.78 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 42 R 8.91 4.88 0.00 1.68 1.78 0.00 3.26 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 43 L 8.56 5.25 0.00 1.57 1.54 0.92 0.97 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 44 I 8.55 5.15 1.92 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 1.13 1.17 0.96 0.00 0.00 45 F 9.12 5.03 0.00 2.98 2.63 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 0.00 0.00 0.00 0.00 46 A 8.55 3.43 1.13 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 0.00 0.00 47 G 8.36 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 7.66 4.64 0.00 1.95 1.86 0.00 1.24 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.62 7.81 49 Q 8.44 4.64 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.06 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.92 4.28 0.00 1.45 1.43 0.69 0.06 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 51 E 8.85 4.60 0.00 2.06 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 2.31 2.38 0.00 52 D 9.15 4.39 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 7.96 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 0.00 0.00 0.00 54 R 7.97 4.40 0.00 2.17 1.59 0.00 3.08 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 55 T 8.25 5.02 4.43 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 1.25 0.00 0.00 56 L 8.58 3.94 0.00 1.86 1.71 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.23 4.15 0.00 3.98 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 58 D 7.75 4.14 0.00 2.52 2.25 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 0.00 59 Y 7.06 4.58 0.00 2.72 2.96 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 0.00 0.00 0.00 60 N 8.15 4.19 0.00 2.91 3.02 0.00 0.00 7.15 8.51 0.00 0.00 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 7.58 3.69 1.79 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.25 0.67 0.00 0.00 62 Q 8.61 4.73 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 63 K 8.51 4.16 0.00 1.83 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.50 7.81 64 E 9.43 3.82 0.00 2.21 2.37 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 2.31 2.26 0.00 65 S 7.97 4.62 0.00 3.87 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 66 T 8.65 5.28 4.34 0.00 0.00 0.00 0.00 0.00 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 67 L 9.03 5.07 0.00 1.57 1.57 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.98 5.31 0.00 3.17 3.23 0.00 5.75 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 9.01 5.28 0.00 1.71 1.50 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.79 4.70 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 0.68 0.00 0.00 0.98 0.00 0.00 71 L 8.48 5.10 0.00 1.49 1.57 0.93 0.83 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 72 R 9.04 4.42 0.00 1.78 1.80 0.00 3.25 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 73 L 8.37 4.24 0.00 1.67 1.56 0.92 0.90 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