NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.1517 8.2601 123.5787 51.4855 19.7975 177.1410 5 A 3.9390 8.5780 119.3029 53.4231 22.4344 175.3526 6 D 4.5214 9.0189 121.0888 55.5111 39.8302 172.4816 7 T 4.2783 7.2532 107.5443 60.0888 69.7552 172.9910 8 P 4.3026 0.0000 0.0000 63.4347 31.9591 175.3706 9 T 4.6702 8.2269 116.1462 60.2567 68.8901 173.8498 10 A 4.3524 8.6968 130.5799 52.2349 19.6945 176.8372 11 C 4.9056 8.5684 118.5653 55.2044 44.4170 174.2344 12 C 4.5583 8.3316 119.5650 55.6419 40.9447 173.7532 13 F 4.4449 8.4109 122.4074 57.3695 39.9269 175.5005 14 S 4.3543 7.3849 113.3922 56.8934 65.6823 172.7059 15 Y 5.1050 7.8386 118.2671 55.9448 40.6781 175.8240 16 T 4.0412 8.6661 117.9251 62.8089 67.8121 174.3429 17 S 4.6233 8.7423 121.8618 58.6004 64.1072 174.0167 18 R 4.4986 7.2610 117.3186 53.6013 31.2212 175.6063 19 Q 2.0000 8.0388 122.1876 55.7218 29.3947 175.5914 20 I 4.0534 6.3941 125.4789 59.3605 38.4110 174.0550 21 P 3.9988 0.0000 0.0000 62.7136 31.7058 177.2225 22 Q 3.2463 8.5771 124.3281 58.7883 29.0758 177.1272 23 N 4.5772 7.7121 112.2152 53.7822 37.7624 175.5230 24 F 4.7101 8.2392 118.7315 59.1814 39.4857 174.9799 25 I 4.6540 7.5532 122.1448 60.0380 38.0080 175.2063 26 A 4.6859 8.8268 126.5381 52.8974 20.8585 176.1383 27 A 4.6692 7.7594 115.1732 52.1872 22.5149 174.3695 28 Y 5.7054 8.3364 116.4444 55.6565 41.9672 174.2639 29 F 4.2546 8.1141 116.4971 57.4830 42.5891 172.5743 30 E 4.6481 9.0467 126.4949 56.1014 30.3724 176.5590 31 T 4.0403 7.8531 113.6806 60.3376 70.6355 174.6615 32 S 4.2517 7.8952 118.3615 58.1959 62.9058 175.5984 33 S 4.2533 8.5529 120.4580 60.9872 62.9028 175.6311 34 Q 4.1167 8.3073 120.1539 58.4483 27.9428 176.2922 35 C 4.4954 7.9388 116.5033 56.3979 40.7037 175.0039 36 S 4.1709 8.6789 117.7190 60.4081 62.8647 174.5910 37 K 4.6860 7.0373 119.2731 53.3829 35.2940 174.3581 38 P 4.4126 0.0000 0.0000 63.1849 32.1536 176.0108 39 G 4.1619 7.8846 104.3814 45.4407 0.0000 172.2331 40 V 4.6372 8.4189 123.1557 60.6449 34.9102 174.2991 41 I 4.7985 8.6021 128.4081 59.6168 39.5155 174.6020 42 F 5.2768 8.7906 126.9181 56.5902 40.9456 174.7454 43 L 5.2155 9.2727 126.2760 54.0530 43.4761 176.3113 44 T 4.7777 9.1182 117.4755 60.9728 70.1251 176.0824 45 K 4.0661 8.6921 121.8118 59.6307 32.1164 178.6199 46 R 4.2323 7.9095 115.3865 56.2382 29.6546 176.4131 47 S 3.9400 8.2352 112.6062 59.6064 60.9014 171.1026 48 R 4.5360 8.2906 119.8178 55.4986 31.6069 175.5043 49 Q 5.1409 8.6554 121.9408 54.7482 30.5431 175.2761 50 V 4.5997 8.7768 122.9604 61.2884 35.3803 173.6046 51 C 5.1628 8.9684 124.6868 56.6513 42.7311 172.3916 52 A 5.2074 9.3240 124.7670 49.8953 22.7985 174.8992 53 D 3.4506 8.2291 119.9662 52.6781 41.0449 175.5845 54 P 4.0092 0.0000 0.0000 64.9207 31.4811 177.9415 55 S 4.1787 7.8057 111.8517 59.7153 63.5594 174.8449 56 E 4.2580 7.8250 122.6320 55.5979 31.2318 177.0964 57 E 3.9293 8.6847 123.4223 58.9695 29.7717 179.2060 58 W 4.0100 8.1210 116.5120 59.1683 28.1837 178.5269 59 V 2.7181 6.4875 118.6580 65.6095 30.8970 177.8838 60 Q 3.8778 7.5735 117.2965 58.7689 28.5236 178.9111 61 K 3.9923 8.2859 119.8096 59.8112 32.1624 179.0007 62 Y 4.3085 8.3916 117.2950 61.0488 37.6291 178.9902 63 V 3.1875 7.8413 119.0926 65.7578 31.5313 177.9828 64 S 4.0090 8.2104 113.1313 61.6625 62.0503 175.8100 65 D 4.3760 8.3516 120.4137 57.2876 40.5601 178.6416 66 L 4.1682 7.7836 118.5434 58.0882 41.8166 179.1576 67 E 4.2490 8.2326 117.2974 58.9786 29.4008 178.2803 68 L 4.6600 8.0162 119.9679 55.0121 42.3756 177.6584 69 S 4.2627 7.8257 121.2839 58.8372 63.0566 177.9754 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 4 A 8.26 4.15 1.27 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 0.00 0.00 0.00 5 A 8.58 3.94 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 6 D 9.02 4.52 0.00 2.81 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 7 T 7.25 4.28 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 1.25 0.00 0.00 8 P 0.00 4.30 0.00 2.09 2.07 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 9 T 8.23 4.67 4.28 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 1.24 0.00 0.00 10 A 8.70 4.35 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.57 4.91 0.00 2.51 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 0.00 0.00 0.00 0.00 12 C 8.33 4.56 0.00 2.82 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 13 F 8.41 4.44 0.00 2.97 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 14 S 7.38 4.35 0.00 3.87 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 15 Y 7.84 5.11 0.00 3.01 2.88 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 16 T 8.67 4.04 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 1.67 0.00 0.00 17 S 8.74 4.62 0.00 4.06 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 0.00 18 R 7.26 4.50 0.00 1.82 1.88 0.00 3.08 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 19 Q 8.04 2.00 0.00 1.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 1.63 1.16 0.00 20 I 6.39 4.05 2.06 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.74 1.10 0.00 0.00 21 P 0.00 4.00 0.00 0.49 1.32 0.00 3.56 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 22 Q 8.58 3.25 0.00 1.39 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.01 0.00 0.00 0.00 0.00 0.00 1.99 1.21 0.00 23 N 7.71 4.58 0.00 2.87 2.86 0.00 0.00 6.06 7.43 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 24 F 8.24 4.71 0.00 3.21 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 I 7.55 4.65 1.84 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.56 1.03 0.00 0.00 26 A 8.83 4.69 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 27 A 7.76 4.67 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 28 Y 8.34 5.71 0.00 2.81 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.11 4.25 0.00 2.78 2.94 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 0.00 0.00 0.00 30 E 9.05 4.65 0.00 1.92 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 2.46 2.39 0.00 31 T 7.85 4.04 4.21 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 0.79 0.00 0.00 32 S 7.90 4.25 0.00 3.94 3.77 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 0.00 0.00 0.00 0.00 33 S 8.55 4.25 0.00 4.01 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 34 Q 8.31 4.12 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 35 C 7.94 4.50 0.00 3.06 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.68 4.17 0.00 4.04 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 37 K 7.04 4.69 0.00 1.97 1.77 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.39 7.81 38 P 0.00 4.41 0.00 1.98 1.93 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 39 G 7.88 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 4.64 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.70 0.00 0.00 41 I 8.60 4.80 1.62 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.52 1.00 0.00 0.00 42 F 8.79 5.28 0.00 3.22 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 43 L 9.27 5.22 0.00 1.84 1.67 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 T 9.12 4.78 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 1.35 0.00 0.00 45 K 8.69 4.07 0.00 1.77 1.92 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.66 7.81 46 R 7.91 4.23 0.00 1.76 1.91 0.00 3.43 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 47 S 8.24 3.94 0.00 4.01 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 48 R 8.29 4.54 0.00 1.78 1.91 0.00 3.16 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 49 Q 8.66 5.14 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 50 V 8.78 4.60 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 1.18 0.00 0.00 1.09 0.00 0.00 51 C 8.97 5.16 0.00 3.02 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.32 5.21 1.15 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 0.00 0.00 0.00 53 D 8.23 3.45 0.00 1.90 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.01 0.00 1.91 1.92 0.00 3.36 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 55 S 7.81 4.18 0.00 3.91 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 56 E 7.83 4.26 0.00 1.89 1.85 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 2.38 2.27 0.00 57 E 8.68 3.93 0.00 2.02 1.97 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 2.38 2.35 0.00 58 W 8.12 4.01 0.00 3.13 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 59 V 6.49 2.72 1.73 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 0.70 0.00 0.00 -0.75 0.00 0.00 60 Q 7.57 3.88 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 61 K 8.29 3.99 0.00 2.10 2.03 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.65 7.81 62 Y 8.39 4.31 0.00 3.06 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 63 V 7.84 3.19 1.97 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 0.39 0.00 0.00 0.56 0.00 0.00 64 S 8.21 4.01 0.00 3.93 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 65 D 8.35 4.38 0.00 2.68 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 66 L 7.78 4.17 0.00 1.94 1.84 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.23 4.25 0.00 1.93 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 0.00 2.51 2.55 0.00 68 L 8.02 4.66 0.00 1.67 1.68 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.83 4.26 0.00 3.57 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00