NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.1904 8.0249 121.4548 61.4976 39.4869 176.7341 5 C 4.1263 8.3798 117.5172 62.1554 27.9263 172.5886 6 P 4.3374 0.0000 0.0000 65.6844 32.1722 177.2224 7 G 4.3614 8.0056 112.9869 44.8365 0.0000 172.2632 8 F 5.5679 8.1454 135.0000 58.6461 40.3702 175.7714 9 L 3.6412 7.3595 122.4230 57.8792 41.6487 178.6560 10 Q 3.9565 8.2154 117.5275 58.5579 28.5208 178.5366 11 V 3.8449 7.4112 118.2534 64.4655 31.8742 177.5919 12 L 3.7232 7.4057 120.4918 57.8805 41.7838 178.8651 13 E 3.9116 7.9321 117.6140 59.3515 29.6048 178.7412 14 A 4.4921 7.4717 120.3933 53.9323 18.3321 179.0892 15 L 4.2056 7.9516 118.3581 57.6619 42.2965 177.9311 16 L 4.4445 7.8511 117.8666 56.3539 42.2053 178.1579 17 L 4.5184 7.7042 116.2795 54.4511 41.4594 176.0418 18 G 4.3581 7.5650 106.4339 44.0244 0.0000 173.0579 19 S 5.0451 8.6837 111.2883 57.5028 65.5387 174.5457 20 E 4.9371 8.1781 119.0275 57.2644 32.0573 174.7936 21 S 4.7394 8.5230 120.0304 58.4949 62.1415 170.9720 22 N 4.4556 7.9000 116.4730 55.6561 38.0672 176.5901 23 Y 3.9326 8.1568 119.2752 60.6234 39.0604 177.4027 24 E 3.9201 8.4054 118.7247 59.4934 29.7182 179.1673 25 A 4.0013 8.1338 120.3871 54.9483 18.1223 179.4788 26 A 3.9568 7.7196 118.7499 54.7956 18.7546 179.1408 27 L 4.4045 7.7906 116.4949 55.9214 41.5749 178.7691 28 K 3.7726 7.5115 120.5010 59.3009 31.8562 176.7698 29 P 4.1523 0.0000 0.0000 64.9763 31.3448 177.4002 30 F 4.5845 7.0872 115.5980 57.4112 39.8544 175.3294 31 N 4.1361 7.9727 117.4994 52.8878 36.1830 172.6117 32 P 4.2610 0.0000 0.0000 62.9557 32.7091 176.8954 33 A 4.1556 8.5521 123.4900 52.2491 19.1204 177.8154 34 S 4.3269 8.6342 116.3707 60.1419 62.5266 176.1560 35 D 5.1297 8.8859 127.1148 57.7622 41.2803 178.1679 36 L 3.9321 8.0158 118.5960 58.2249 41.6703 179.3303 37 Q 4.0572 8.2312 119.2252 59.0732 29.0282 177.7741 38 N 4.2913 8.3359 118.0766 56.4419 37.0807 176.9897 39 A 4.1534 7.8884 123.2534 54.5207 18.1789 179.8486 40 G 4.4067 8.0076 104.9917 47.5635 0.0000 176.0255 41 T 4.0374 7.8114 117.5524 66.8054 68.5549 176.6183 42 Q 3.9196 8.0696 119.3270 58.9178 28.5405 178.3552 43 L 3.7916 7.6874 120.2895 58.3978 42.2379 178.8909 44 K 3.7888 7.5568 119.1450 59.1409 32.0936 178.8678 45 R 3.8460 7.7938 118.3871 59.5645 29.8728 178.8365 46 L 4.4948 7.8737 117.7849 57.2166 41.3610 179.4474 47 V 3.8144 7.7647 118.0663 65.2921 31.5030 176.6128 48 D 4.7804 7.9779 117.7150 54.5071 40.8104 177.4521 49 T 4.5534 7.6830 107.9164 61.0612 69.9675 173.4784 50 L 4.9069 7.4777 121.4376 52.2098 44.1881 175.3852 51 P 4.5528 0.0000 0.0000 63.0506 31.9065 176.3624 52 Q 4.2183 8.7031 116.2207 59.5709 29.0532 177.8865 53 E 4.0026 8.0910 119.0249 59.8348 29.5490 179.4710 54 T 3.9376 7.8731 115.0529 66.4275 68.4472 176.6033 55 R 3.9539 7.9811 120.5794 59.1991 30.1968 178.8748 56 I 3.8578 7.6653 118.7755 64.0413 37.0259 177.7244 57 N 4.4472 8.3015 118.4933 55.9922 38.5155 177.2001 58 I 3.6754 8.0919 121.2688 64.4001 37.0275 178.7359 59 V 3.7022 7.6192 118.4507 65.1128 31.5538 176.7093 60 K 4.3834 7.8820 115.4073 56.4882 32.5542 177.0260 61 L 4.4996 8.1351 121.8625 57.1368 43.3602 178.3900 62 T 3.9958 7.9469 115.2153 66.1582 68.1809 176.3036 63 E 4.0777 8.0549 120.4895 59.1435 29.6294 178.9158 64 K 4.0657 7.8838 116.8173 58.9644 32.1797 178.7787 65 I 3.9516 7.6538 118.4464 64.1990 38.1396 176.7727 66 L 4.2744 7.8859 118.6902 55.9688 42.9053 177.3236 67 T 4.2348 7.8420 117.1704 61.1298 66.5647 176.3896 68 S 4.2805 7.6333 116.6576 57.5261 64.0085 174.1007 69 P 4.4139 0.0000 0.0000 63.1945 31.4261 175.7865 70 L 3.6368 8.3598 120.5225 54.8805 40.6174 174.2426 71 C 4.0760 8.8157 112.8641 59.5856 29.1465 173.6320 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 I 8.02 4.19 1.81 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 1.36 1.05 0.77 0.00 0.00 5 C 8.38 4.13 0.00 3.08 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 6 P 0.00 4.34 0.00 2.24 2.09 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 7 G 8.01 4.36 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 0.00 8 F 8.15 5.57 0.00 3.03 3.41 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 9 L 7.36 3.64 0.00 1.73 1.62 0.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.22 3.96 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 11 V 7.41 3.84 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 1.00 0.00 0.00 1.05 0.00 0.00 12 L 7.41 3.72 0.00 1.28 1.46 0.64 0.75 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 13 E 7.93 3.91 0.00 2.07 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 2.38 2.40 0.00 14 A 7.47 4.49 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.95 4.21 0.00 1.81 2.05 0.89 0.90 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 16 L 7.85 4.44 0.00 1.73 1.67 0.93 0.62 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 17 L 7.70 4.52 0.00 1.69 1.67 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.57 4.36 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 0.00 19 S 8.68 5.05 0.00 3.82 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.18 4.94 0.00 1.93 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 2.07 2.09 0.00 21 S 8.52 4.74 0.00 4.08 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 22 N 7.90 4.46 0.00 3.02 3.07 0.00 0.00 5.86 7.71 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 23 Y 8.16 3.93 0.00 3.39 3.04 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 0.00 0.00 0.00 0.00 24 E 8.41 3.92 0.00 2.16 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 0.00 2.55 2.65 0.00 25 A 8.13 4.00 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 26 A 7.72 3.96 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 27 L 7.79 4.40 0.00 1.81 1.73 0.28 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.51 3.77 0.00 1.90 1.74 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.48 7.81 29 P 0.00 4.15 0.00 1.32 1.80 0.00 3.46 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 30 F 7.09 4.58 0.00 3.24 3.02 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 0.00 0.00 0.00 31 N 7.97 4.14 0.00 2.91 2.87 0.00 0.00 7.17 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 32 P 0.00 4.26 0.00 2.32 2.14 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 33 A 8.55 4.16 1.32 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 0.00 0.00 34 S 8.63 4.33 0.00 3.86 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 35 D 8.89 5.13 0.00 2.69 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 36 L 8.02 3.93 0.00 1.94 1.78 0.93 0.76 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 37 Q 8.23 4.06 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 38 N 8.34 4.29 0.00 2.97 3.11 0.00 0.00 7.09 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.89 4.15 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 40 G 8.01 4.41 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 0.00 41 T 7.81 4.04 4.47 0.00 0.00 0.00 0.00 0.00 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 42 Q 8.07 3.92 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 43 L 7.69 3.79 0.00 1.66 1.77 0.35 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.56 3.79 0.00 1.11 1.62 0.00 1.42 0.00 0.00 1.74 0.00 0.00 3.29 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.42 7.81 45 R 7.79 3.85 0.00 2.00 1.93 0.00 3.16 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 46 L 7.87 4.49 0.00 1.56 1.73 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.76 3.81 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 1.11 0.00 0.00 0.91 0.00 0.00 48 D 7.98 4.78 0.00 2.72 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 49 T 7.68 4.55 4.22 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 1.22 0.00 0.00 50 L 7.48 4.91 0.00 1.63 1.61 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.55 0.00 2.03 2.04 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 52 Q 8.70 4.22 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 53 E 8.09 4.00 0.00 2.00 2.00 0.00 0.00 0.00 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 2.40 0.00 54 T 7.87 3.94 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 55 R 7.98 3.95 0.00 2.03 1.94 0.00 3.25 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 56 I 7.67 3.86 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 1.64 0.71 0.91 0.00 0.00 57 N 8.30 4.45 0.00 2.90 2.81 0.00 0.00 6.78 6.71 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 58 I 8.09 3.68 1.87 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 1.41 0.85 0.93 0.00 0.00 59 V 7.62 3.70 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 0.83 0.00 0.00 0.96 0.00 0.00 60 K 7.88 4.38 0.00 1.91 1.82 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.44 7.81 61 L 8.14 4.50 0.00 1.65 1.68 0.93 0.87 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 62 T 7.95 4.00 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 1.28 0.00 0.00 63 E 8.05 4.08 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 64 K 7.88 4.07 0.00 1.71 1.88 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.56 7.81 65 I 7.65 3.95 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 1.53 0.76 0.96 0.00 0.00 66 L 7.89 4.27 0.00 1.97 1.62 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.84 4.23 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 1.30 0.00 0.00 68 S 7.63 4.28 0.00 4.02 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 69 P 0.00 4.41 0.00 2.08 2.09 0.00 4.09 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 70 L 8.36 3.64 0.00 1.77 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 71 C 8.82 4.08 0.00 3.07 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