NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4556 8.2893 120.2657 54.7747 34.6321 175.2481 2 Q 4.7247 8.1462 118.9278 53.7696 29.4417 173.3711 3 I 4.1083 8.4359 121.6811 59.2238 41.7377 175.2881 4 F 6.1838 8.3315 118.2509 55.3773 43.7580 174.2428 5 V 4.6481 8.5133 119.5843 61.4248 34.8433 174.7784 6 K 5.6462 8.7820 129.3439 57.3416 34.6221 174.6373 7 T 3.9588 8.0982 112.6945 61.9328 69.4590 173.8665 8 L 3.6540 8.4497 125.0503 57.6668 41.9282 177.1255 9 T 4.2289 8.0332 111.1365 61.1121 67.5710 174.7146 10 G 3.9759 8.7553 106.6855 47.0996 0.0000 171.9088 11 K 4.8116 7.4515 121.0797 55.5572 37.3887 174.6840 12 T 5.5110 8.5859 116.0718 61.9307 72.3991 173.7742 13 I 4.6497 8.4610 119.2276 59.2949 40.6963 174.4728 14 T 5.2974 8.7007 123.6628 62.6359 69.2132 173.9588 15 L 4.7741 8.4829 124.9851 52.6429 46.1180 175.5943 16 E 4.9618 8.2888 118.6680 55.3070 28.3585 176.2090 17 V 4.1034 7.2662 114.0321 60.1236 34.8545 175.2014 18 E 4.7044 8.1716 119.0691 54.3817 32.8362 175.1989 19 P 4.2994 0.0000 0.0000 64.6653 31.8339 177.4092 20 S 4.6350 7.8610 111.7524 57.9190 62.6979 172.9443 21 D 4.7065 7.4522 119.0295 53.6926 42.0123 175.8936 22 T 4.2563 8.0394 116.0014 61.6550 69.5212 175.6114 23 I 3.5523 8.1379 127.8426 64.8972 37.1043 177.9896 24 E 3.9376 8.0767 119.7813 59.1054 29.6288 177.8282 25 N 4.3168 8.1344 116.4801 56.8501 38.7991 177.0950 26 V 3.5409 8.0448 119.9371 65.6784 31.5667 177.6502 27 K 4.1670 8.3493 115.3720 58.0430 32.9088 177.8885 28 A 4.3374 8.3264 123.0832 54.5199 19.2103 179.1972 29 K 3.7411 8.3286 117.6516 59.6080 32.0751 179.2788 30 I 3.9960 7.2109 110.5380 63.8989 37.9704 178.1926 31 Q 4.2207 8.2672 121.3749 57.6629 26.9680 177.9823 32 D 4.4985 7.6106 118.8274 56.1534 41.3200 178.4260 33 K 4.3021 7.8561 118.6655 58.8180 32.0013 175.9881 34 E 4.4991 8.5997 113.2663 56.0607 32.1451 175.4006 35 G 3.3804 7.0973 111.2849 45.3123 0.0000 172.6745 36 I 4.5529 7.5307 120.0866 57.6847 40.9584 172.4478 37 P 4.5038 0.0000 0.0000 61.8903 32.0430 175.4327 38 P 4.7308 0.0000 0.0000 64.7698 31.2520 178.0751 39 D 4.4037 8.1644 118.0455 57.5377 40.6208 177.7437 40 Q 4.3044 7.5609 117.0503 56.9164 30.0472 176.0077 41 Q 4.2133 7.4405 119.0767 55.9513 29.5969 175.5430 42 R 4.7966 8.2823 117.1783 54.4879 32.7965 174.1600 43 L 4.7589 8.5294 121.5551 54.0598 44.0199 175.5278 44 I 5.1412 8.2182 120.2994 60.0736 42.3007 174.4168 45 F 4.9180 8.9732 125.9189 57.8265 42.8423 174.2054 46 A 3.5010 9.0535 127.8553 52.9140 15.7547 178.3313 47 G 3.9185 8.2507 106.1380 46.6377 0.0000 174.8443 48 K 4.0686 7.6550 119.6182 56.2232 33.4732 176.3973 49 Q 4.2907 8.2926 122.5054 55.3506 28.7381 174.8834 50 L 4.3846 8.1728 126.6206 55.0024 41.9896 176.3495 51 E 4.9572 9.0183 124.8466 53.8515 32.8848 176.3994 52 D 4.4492 9.2296 123.8336 55.9297 39.7584 178.1498 53 G 4.1557 8.0105 108.8515 48.1789 0.0000 172.7607 54 R 4.6267 7.6756 118.4759 53.8284 33.1837 173.3699 55 T 4.9332 7.3186 109.9722 60.2681 72.2467 174.1978 56 L 4.1541 8.0366 118.9199 57.7756 41.5486 179.0105 57 S 4.4440 8.0113 114.2719 61.8794 62.6949 176.3889 58 D 4.3022 7.3351 121.4355 56.2926 40.5851 177.5764 59 Y 4.7948 7.1201 115.1279 56.9637 38.1993 175.3029 60 N 4.3380 9.1057 116.7672 54.3304 36.7535 175.4493 61 I 3.8162 8.5538 121.9616 60.7629 35.3512 176.1491 62 Q 4.3213 8.0112 124.6619 54.2763 29.1524 175.9608 63 K 4.0397 8.2396 117.1245 57.9894 33.2842 176.4653 64 E 3.2127 8.8228 117.5294 57.4552 27.5097 175.3437 65 S 4.8042 7.0104 115.1913 58.7086 65.3793 173.3176 66 T 5.6349 8.5519 116.8664 63.3537 71.6061 173.9032 67 L 5.1038 8.8101 126.5827 53.9221 44.3810 175.2574 68 H 5.0276 9.0985 119.1980 54.6298 30.4147 175.1483 69 L 5.0488 8.1764 125.1465 53.5236 43.7938 175.8453 70 V 4.5029 7.9633 111.7274 59.8455 35.7410 174.1953 71 L 3.7870 8.5766 120.6565 56.0004 39.8469 177.6103 72 R 4.5250 8.3812 119.3192 55.0854 30.5036 177.1956 73 L 4.3417 7.9762 121.9030 55.0458 42.7317 175.6998 74 R 4.4467 8.4748 116.5192 55.9881 32.0802 174.1424 75 G 3.9222 7.8152 115.1819 45.9692 0.0000 173.5554 76 G 3.7309 9.0373 115.3194 45.3275 0.0000 172.9257 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 8.29 4.46 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 2 Q 8.15 4.72 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.11 0.00 3 I 8.44 4.11 1.68 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.53 0.86 0.00 0.00 4 F 8.33 6.18 0.00 3.13 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 5 V 8.51 4.65 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 1.10 0.00 0.00 0.96 0.00 0.00 6 K 8.78 5.65 0.00 1.86 1.63 0.00 1.72 0.00 0.00 1.33 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.43 7.81 7 T 8.10 3.96 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 1.24 0.00 0.00 8 L 8.45 3.65 0.00 1.63 1.71 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.03 4.23 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 8.76 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 0.00 0.00 0.00 11 K 7.45 4.81 0.00 1.67 1.71 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 12 T 8.59 5.51 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 13 I 8.46 4.65 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.85 0.94 0.00 0.00 14 T 8.70 5.30 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 1.24 0.00 0.00 15 L 8.48 4.77 0.00 1.48 1.48 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.29 4.96 0.00 1.78 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 2.16 2.22 0.00 17 V 7.27 4.10 2.01 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 0.70 0.00 0.00 0.87 0.00 0.00 18 E 8.17 4.70 0.00 2.11 1.76 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 2.22 2.23 0.00 19 P 0.00 4.30 0.00 2.22 2.24 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.91 0.00 20 S 7.86 4.63 0.00 3.79 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 21 D 7.45 4.71 0.00 2.94 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.26 4.17 0.00 0.00 0.00 0.00 0.00 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 8.14 3.55 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.06 1.00 0.00 0.00 24 E 8.08 3.94 0.00 2.01 1.88 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 2.37 2.36 0.00 25 N 8.13 4.32 0.00 2.79 2.78 0.00 0.00 6.63 7.69 0.00 0.00 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 8.04 3.54 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.88 0.00 0.00 27 K 8.35 4.17 0.00 1.92 2.12 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.45 7.81 28 A 8.33 4.34 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 29 K 8.33 3.74 0.00 1.88 1.89 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.46 7.81 30 I 7.21 4.00 2.00 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 1.46 0.70 0.92 0.00 0.00 31 Q 8.27 4.22 0.00 2.16 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.62 2.38 0.00 32 D 7.61 4.50 0.00 2.86 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.30 0.00 1.98 1.87 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.60 7.81 34 E 8.60 4.50 0.00 2.13 1.93 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 2.30 2.36 0.00 35 G 7.10 3.38 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 0.00 36 I 7.53 4.55 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 1.48 1.48 0.92 0.00 0.00 37 P 0.00 4.50 0.00 2.22 2.03 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 38 P 0.00 4.73 0.00 2.29 2.35 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 39 D 8.16 4.40 0.00 2.65 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 40 Q 7.56 4.30 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 41 Q 7.44 4.21 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.04 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 42 R 8.28 4.80 0.00 1.85 1.99 0.00 2.98 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 43 L 8.53 4.76 0.00 1.64 1.67 0.96 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 44 I 8.22 5.14 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.09 1.01 0.00 0.00 45 F 8.97 4.92 0.00 3.07 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 46 A 9.05 3.50 1.03 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 0.00 0.00 47 G 8.25 3.92 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 0.00 0.00 0.00 48 K 7.65 4.07 0.00 1.82 1.84 0.00 1.25 0.00 0.00 1.66 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.11 7.81 49 Q 8.29 4.29 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 50 L 8.17 4.38 0.00 1.93 1.78 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.02 4.96 0.00 2.12 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 52 D 9.23 4.45 0.00 2.78 2.80 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 0.00 0.00 0.00 53 G 8.01 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 54 R 7.68 4.63 0.00 1.46 1.43 0.00 3.40 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.84 0.00 55 T 7.32 4.93 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 56 L 8.04 4.15 0.00 1.59 1.67 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.01 4.44 0.00 4.03 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 7.34 4.30 0.00 2.54 2.89 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 0.00 0.00 0.00 0.00 59 Y 7.12 4.79 0.00 3.14 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 60 N 9.11 4.34 0.00 2.83 3.04 0.00 0.00 7.03 7.38 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 61 I 8.55 3.82 1.70 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 -0.30 0.44 0.50 0.00 0.00 62 Q 8.01 4.32 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 63 K 8.24 4.04 0.00 1.89 1.91 0.00 1.61 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.42 7.81 64 E 8.82 3.21 0.00 2.16 2.35 0.00 0.00 0.00 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 2.33 0.00 65 S 7.01 4.80 0.00 3.79 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 0.00 66 T 8.55 5.63 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 1.27 0.00 0.00 67 L 8.81 5.10 0.00 1.64 1.77 1.08 1.13 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 68 H 9.10 5.03 0.00 3.07 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.18 5.05 0.00 1.82 1.67 0.99 1.05 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 70 V 7.96 4.50 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.95 0.00 0.00 71 L 8.58 3.79 0.00 1.73 1.76 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.38 4.53 0.00 1.95 2.01 0.00 2.64 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 73 L 7.98 4.34 0.00 1.61 1.58 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.47 4.45 0.00 1.82 1.84 0.00 3.35 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 75 G 7.82 3.92 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 0.00 0.00 0.00 76 G 9.04 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