NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.6406 8.2549 117.4187 56.2785 30.9751 174.7202 6 V 4.1796 8.7932 115.7843 59.9235 34.2575 173.3581 7 Q 4.8680 8.7530 121.5865 54.3586 32.9091 174.4133 8 A 4.7576 8.8235 123.7774 50.3697 23.2781 175.3629 9 K 5.3670 8.2983 120.5818 56.6036 34.6655 174.8778 10 I 4.6671 8.3891 128.2410 59.5559 40.7103 174.5971 11 E 5.5051 8.8848 123.9046 53.8430 33.3482 174.6637 12 M 4.6731 8.6061 121.0086 53.3399 34.4500 173.8969 13 E 4.8298 8.5946 123.1428 55.0663 31.2721 174.8552 14 F 4.8813 9.1133 124.3765 55.1711 41.4178 174.0054 15 P 4.3862 0.0000 0.0000 65.5754 31.5601 177.1508 16 S 4.8829 7.7705 110.5851 56.2280 67.2002 174.3714 17 E 4.1647 8.5286 120.4303 58.9484 29.1755 178.8224 18 D 4.3375 7.9809 118.0182 56.7582 41.4479 178.0424 19 V 3.4620 7.5418 118.8701 65.8289 31.4055 177.5540 20 A 3.0617 7.3026 119.2612 55.0486 18.1897 179.3096 21 K 3.6881 7.5365 116.1721 59.8977 32.1083 179.2509 22 V 3.5539 7.8161 117.8917 66.2287 31.4106 178.0621 23 V 3.5515 7.6730 117.6406 66.1253 31.2244 177.0177 24 Y 3.9065 8.0410 119.2176 60.8675 38.5437 177.6021 25 E 3.8677 8.4072 119.5386 59.3402 29.2433 178.2735 26 A 4.0594 8.2475 120.7095 55.7422 18.4386 179.9164 27 V 3.8270 8.0447 116.2687 65.6489 31.5979 177.8578 28 L 3.4967 8.0993 120.9865 58.2349 41.7967 178.5452 29 Y 4.0207 7.7129 116.5169 61.1032 37.3432 178.6561 30 E 3.6226 7.5131 119.9438 59.1606 29.1927 178.3928 31 H 4.3286 8.3372 117.8762 59.8212 30.0096 176.9445 32 L 4.2156 7.7536 118.9107 57.7361 41.4663 179.1675 33 S 4.2465 7.6643 114.4484 60.5901 63.1054 175.9828 34 V 3.7342 6.9000 114.0377 61.1745 31.7218 174.3459 35 P 4.2063 0.0000 0.0000 64.7771 31.7056 175.6256 36 Y 5.0144 7.5436 114.4231 56.3461 39.4939 175.6750 37 R 4.5103 8.7251 124.2680 55.4885 31.3743 176.3357 38 R 4.4897 8.2915 117.4234 55.1455 29.7924 175.4097 39 S 4.6314 7.2289 111.8934 58.7573 65.2102 175.5829 40 E 4.6326 8.2288 120.2733 55.0090 30.8235 175.5459 41 I 4.8313 8.3795 124.8320 59.3254 40.5805 174.5569 42 D 4.9158 8.6631 124.9075 52.6026 43.4136 174.2823 43 F 5.0881 8.9950 128.7135 57.2124 40.8567 174.8463 44 K 4.9925 9.4471 123.5777 55.2342 37.0541 174.4667 45 L 5.0232 8.4611 123.9953 52.5809 44.0931 175.6597 46 E 4.7551 8.7296 125.1935 55.8730 30.9294 176.5613 47 G 3.7160 9.4717 108.4633 46.1891 0.0000 174.1901 48 K 4.7780 8.9705 121.6715 55.1531 33.5175 178.3836 49 K 5.5726 7.6948 120.4602 57.4388 35.8894 174.8330 50 I 5.0075 8.9819 128.4944 60.8114 39.1840 174.6461 51 I 4.9855 8.9758 125.9762 59.5698 40.3250 174.4014 52 L 4.7277 8.9398 126.7690 53.0889 44.7033 175.5093 53 D 5.0138 8.5181 122.3917 52.7767 43.7922 174.2083 54 I 4.8128 8.4472 124.3789 59.3841 40.3811 175.4805 55 K 4.9542 9.2097 124.2027 54.9477 35.3553 175.2107 56 A 4.9150 8.1761 125.2851 50.3323 22.1721 177.4628 57 T 3.7480 8.7257 115.8889 66.1831 68.7412 174.6472 58 D 5.1667 7.6715 119.9290 51.5401 41.9749 175.7185 59 S 4.4639 8.3522 111.8066 60.2969 63.2422 175.8179 60 S 4.1226 8.5746 117.4208 60.9572 62.0439 175.6267 61 A 3.9961 8.1862 123.2279 54.9415 18.3376 178.7762 62 L 3.7992 7.5579 117.0723 58.4243 41.9802 179.2806 63 R 3.9097 7.7200 117.9668 59.5496 30.0535 178.5138 64 G 3.6843 7.7282 105.0483 48.2191 0.0000 175.5536 65 T 3.8193 7.6652 117.5779 66.2961 68.4270 176.6814 66 V 3.4140 7.6829 119.9424 66.1948 31.6791 177.4135 67 N 4.1726 8.1604 116.1835 57.4274 38.4141 176.6175 68 S 3.6520 7.9172 115.6523 61.5584 62.5760 176.1049 69 Y 3.2173 7.5305 118.0381 61.3250 37.9139 179.2590 70 L 4.0298 8.1287 119.7660 57.7962 41.7383 179.6951 71 R 3.9860 7.6173 118.3653 58.8144 30.0381 178.5011 72 W 4.4319 8.0089 118.8876 60.1041 29.0450 178.6187 73 I 3.9708 8.4168 120.1438 64.2977 36.6596 178.4492 74 K 4.0401 8.1544 120.2824 58.9544 31.9630 178.7725 75 A 3.9960 7.9849 120.8910 55.0024 18.3852 179.1040 76 A 3.9672 8.1527 118.8127 55.5151 18.5383 179.5111 77 I 3.7350 8.1022 118.3310 65.1828 37.0879 178.4401 78 D 4.4450 7.8823 117.3845 57.1252 40.6494 178.7385 79 V 3.7066 7.7404 118.2035 66.0363 31.6671 177.4576 80 I 3.8317 7.4925 118.6117 64.6514 37.1797 176.0946 81 E 4.2707 8.0960 122.6709 56.4872 29.6676 175.9554 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 5 R 8.25 4.64 0.00 1.92 1.99 0.00 3.14 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 6 V 8.79 4.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.92 0.00 0.00 7 Q 8.75 4.87 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 8 A 8.82 4.76 1.12 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 0.00 0.00 0.00 9 K 8.30 5.37 0.00 1.71 1.65 0.00 1.54 0.00 0.00 2.35 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.58 7.81 10 I 8.39 4.67 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.51 0.88 0.00 0.00 11 E 8.88 5.51 0.00 1.77 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 2.21 2.12 0.00 12 M 8.61 4.67 0.00 1.88 1.82 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.16 0.00 13 E 8.59 4.83 0.00 1.96 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 2.24 2.50 0.00 14 F 9.11 4.88 0.00 3.05 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.39 0.00 2.11 2.19 0.00 3.84 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 2.12 2.16 0.00 16 S 7.77 4.88 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.53 4.16 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 2.43 2.38 0.00 18 D 7.98 4.34 0.00 2.77 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 19 V 7.54 3.46 2.08 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 0.96 0.00 0.00 0.96 0.00 0.00 20 A 7.30 3.06 1.38 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 0.00 0.00 21 K 7.54 3.69 0.00 1.98 1.86 0.00 1.64 0.00 0.00 1.45 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.57 7.81 22 V 7.82 3.55 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 1.07 0.00 0.00 0.99 0.00 0.00 23 V 7.67 3.55 1.77 0.00 0.00 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 0.86 0.00 0.00 24 Y 8.04 3.91 0.00 3.14 3.06 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 0.00 25 E 8.41 3.87 0.00 2.32 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 0.00 2.55 2.35 0.00 26 A 8.25 4.06 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 27 V 8.04 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 1.56 0.00 0.00 1.22 0.00 0.00 28 L 8.10 3.50 0.00 0.95 1.22 0.58 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.71 4.02 0.00 3.22 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 30 E 7.51 3.62 0.00 1.75 1.12 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 1.91 1.47 0.00 31 H 8.34 4.33 0.00 3.61 3.65 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.75 4.22 0.00 1.68 1.72 0.78 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.66 4.25 0.00 4.03 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 34 V 6.90 3.73 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 0.92 0.00 0.00 1.11 0.00 0.00 35 P 0.00 4.21 0.00 1.48 1.72 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 36 Y 7.54 5.01 0.00 3.01 2.82 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 0.00 37 R 8.73 4.51 0.00 1.84 2.17 0.00 3.45 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 38 R 8.29 4.49 0.00 1.91 2.04 0.00 3.31 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 39 S 7.23 4.63 0.00 3.97 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 40 E 8.23 4.63 0.00 2.00 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 2.27 2.34 0.00 41 I 8.38 4.83 1.62 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.24 0.30 0.00 0.00 42 D 8.66 4.92 0.00 2.78 2.66 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 0.00 0.00 0.00 0.00 43 F 8.99 5.09 0.00 3.31 2.87 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 44 K 9.45 4.99 0.00 1.85 1.73 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.54 7.81 45 L 8.46 5.02 0.00 0.62 1.13 0.51 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.73 4.76 0.00 2.07 1.50 0.00 0.00 0.00 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 2.28 0.00 47 G 9.47 3.72 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 0.00 0.00 0.00 48 K 8.97 4.78 0.00 2.16 2.16 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 49 K 7.69 5.57 0.00 1.90 1.73 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.38 7.81 50 I 8.98 5.01 2.28 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 1.53 0.00 0.00 51 I 8.98 4.99 1.98 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 1.33 1.21 0.95 0.00 0.00 52 L 8.94 4.73 0.00 1.39 1.32 0.19 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.52 5.01 0.00 2.48 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 54 I 8.45 4.81 1.76 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.56 0.86 0.00 0.00 55 K 9.21 4.95 0.00 1.59 1.67 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.34 7.81 56 A 8.18 4.92 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.73 3.75 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 58 D 7.67 5.17 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 4.46 0.00 4.04 4.13 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 60 S 8.57 4.12 0.00 3.87 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 4.00 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 62 L 7.56 3.80 0.00 1.77 1.67 0.84 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 63 R 7.72 3.91 0.00 2.06 2.05 0.00 3.14 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 64 G 7.73 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.67 3.82 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 1.12 0.00 0.00 66 V 7.68 3.41 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 1.02 0.00 0.00 0.88 0.00 0.00 67 N 8.16 4.17 0.00 2.88 2.82 0.00 0.00 7.11 7.42 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 68 S 7.92 3.65 0.00 3.41 2.92 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 0.00 0.00 0.00 69 Y 7.53 3.22 0.00 2.72 2.83 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 70 L 8.13 4.03 0.00 1.72 1.70 0.88 0.69 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 71 R 7.62 3.99 0.00 2.11 2.00 0.00 3.16 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 72 W 8.01 4.43 0.00 3.58 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 73 I 8.42 3.97 2.03 0.00 0.00 1.05 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 1.15 1.19 0.00 0.00 74 K 8.15 4.04 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.25 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81 75 A 7.98 4.00 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.15 3.97 1.46 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 0.00 0.00 0.00 77 I 8.10 3.73 2.10 0.00 0.00 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 1.93 1.17 1.00 0.00 0.00 78 D 7.88 4.44 0.00 2.83 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 79 V 7.74 3.71 2.26 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 0.84 0.00 0.00 1.03 0.00 0.00 80 I 7.49 3.83 2.08 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.75 0.94 0.00 0.00 81 E 8.10 4.27 0.00 2.00 2.06 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 2.35 2.39 0.00