NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.8074 8.4249 118.2248 52.3844 39.4104 174.8378 7 V 4.0028 8.6779 110.4502 60.9028 33.9056 174.0329 8 C 5.0014 7.9290 115.2224 54.4062 43.7125 171.4042 9 P 4.8617 0.0000 0.0000 60.3671 34.6114 176.1354 10 P 4.7453 0.0000 0.0000 60.3432 31.0901 178.5793 11 G 3.7866 8.7036 106.5024 47.0175 0.0000 172.9180 12 L 4.1994 7.8540 118.9447 55.0987 42.8387 176.6614 13 F 5.0239 7.1287 118.5860 56.8170 37.8311 175.8794 14 S 4.2932 7.8229 117.0297 60.8821 63.3332 173.6165 15 N 4.9284 8.0498 118.0635 50.9609 39.8736 174.3532 16 P 5.2990 0.0000 0.0000 62.7735 30.3130 175.9374 17 Q 4.2794 7.9450 118.7737 57.2455 31.0333 176.3290 18 C 5.1973 9.7735 120.2535 55.8251 42.1157 172.3192 19 C 5.4750 8.6528 121.1367 54.8126 42.3329 175.2446 20 A 3.9168 8.3566 124.8198 55.6754 18.7709 177.4575 21 T 4.3157 7.5283 109.1458 63.2362 73.7742 172.8274 22 Q 5.6286 8.3487 124.0255 53.7165 30.2925 174.5327 23 V 3.9715 8.1506 118.7034 61.1428 33.3603 176.3975 24 L 3.3620 9.2305 121.4064 55.0265 39.1828 174.8557 25 G 4.0544 8.3154 104.5487 45.7174 0.0000 175.0641 26 L 4.7545 7.7409 114.6814 56.9226 44.3807 174.2583 27 I 5.0802 7.7494 120.5510 59.7732 41.4875 174.2038 28 G 4.3144 9.4913 114.9354 45.2344 0.0000 172.8933 29 L 4.6202 9.1756 126.1409 53.4241 43.7737 176.4768 30 D 4.5486 8.3454 122.9957 55.5768 38.0288 174.0593 31 C 4.9807 7.7205 115.1541 55.9994 40.7923 175.3130 32 K 4.7306 8.7355 120.0168 55.2931 35.8556 175.4335 33 V 3.7996 8.6510 116.0735 61.2696 32.0880 174.4780 34 P 4.3747 0.0000 0.0000 62.5932 32.1428 176.6434 35 S 4.1783 8.3890 114.9574 60.7836 63.0997 174.9096 36 Q 4.4408 7.5045 117.0046 54.5439 30.7441 176.1285 37 N 4.4971 8.1056 117.9168 51.5222 36.9966 174.1951 38 V 4.1748 7.1223 118.2041 59.7927 34.5531 176.8799 39 Y 4.9239 7.6567 120.2365 54.4921 37.8014 174.4627 40 D 4.5043 7.4941 116.3986 52.6008 42.1111 179.2581 41 G 3.6706 8.8562 114.4701 45.8236 0.0000 173.7596 42 T 4.4323 7.6919 108.3252 62.3351 70.8006 174.9624 43 D 4.5749 8.1150 120.1895 54.3896 41.3828 177.8249 44 F 3.9301 7.9190 120.4014 62.0686 39.1298 177.1481 45 R 4.0604 7.9691 117.0923 59.4796 30.1114 178.6443 46 N 4.3335 8.2660 116.3317 56.0478 38.2729 177.5536 47 V 3.5428 8.2570 119.6816 66.3230 31.9294 177.1045 48 C 4.3906 8.3133 115.8013 60.0794 41.2749 176.0785 49 A 3.8739 9.0548 122.7503 54.4745 17.6260 179.5471 50 K 3.8811 7.8127 116.8681 59.1578 32.0274 178.0957 51 T 4.4291 8.0161 110.9012 60.9380 67.3038 175.4070 52 G 4.1021 7.8249 106.7766 46.8170 0.0000 173.7583 53 A 4.6811 7.1382 121.8366 50.7000 21.4261 177.0507 54 Q 4.7802 8.8649 114.5704 53.6511 33.7624 173.2545 55 P 5.2769 0.0000 0.0000 62.3678 31.4531 174.8731 56 L 5.2904 8.6461 123.3560 53.2184 46.9152 174.8523 57 C 5.4485 9.4927 119.6307 55.9725 36.7698 172.7419 58 C 5.6100 9.4921 121.8118 55.2308 43.4639 174.5134 59 V 5.0131 8.0690 113.6085 60.0266 33.0195 175.6019 60 A 4.2547 8.2645 124.0805 51.0620 19.1088 175.8441 61 P 4.3076 0.0000 0.0000 62.7356 31.9676 176.1115 62 V 4.3472 8.1197 121.6605 60.1793 34.4194 174.2856 63 A 3.9549 8.8101 128.4320 53.9396 18.2760 177.5557 64 G 3.9162 8.7949 109.6731 46.1283 0.0000 172.6944 65 Q 4.5129 7.4882 119.3627 53.6250 30.7468 175.2193 66 A 4.0187 8.3460 126.2991 52.2763 19.0926 177.5243 67 L 4.4588 8.2269 124.3501 53.2508 42.6184 175.0267 68 L 4.7511 8.4127 126.1744 55.4780 42.4499 177.0112 69 C 5.5981 9.5860 120.7866 55.2517 43.2750 173.0358 70 Q 4.7311 8.4818 119.3379 54.2256 31.3563 175.2512 71 T 4.4597 8.3061 116.6404 63.4932 69.4766 173.8996 72 A 3.9736 8.1333 126.7553 51.6011 18.8626 178.0136 73 V 3.5108 8.1611 122.9670 63.8627 32.4874 176.1340 74 G 3.9936 8.7136 114.1516 45.8000 0.0000 173.1727 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 6 N 8.42 4.81 0.00 2.96 3.08 0.00 0.00 5.86 6.79 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 7 V 8.68 4.00 1.78 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 0.91 0.00 0.00 1.16 0.00 0.00 8 C 7.93 5.00 0.00 3.08 3.36 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 9 P 0.00 4.86 0.00 2.21 2.08 0.00 4.20 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 10 P 0.00 4.75 0.00 2.27 1.59 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 11 G 8.70 3.79 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 0.00 0.00 0.00 12 L 7.85 4.20 0.00 1.09 1.43 0.70 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 13 F 7.13 5.02 0.00 3.16 3.13 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 14 S 7.82 4.29 0.00 3.85 3.89 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 15 N 8.05 4.93 0.00 2.81 2.77 0.00 0.00 6.73 9.16 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 16 P 0.00 5.30 0.00 2.54 2.40 0.00 3.85 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 2.12 0.00 17 Q 7.95 4.28 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 18 C 9.77 5.20 0.00 2.80 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 19 C 8.65 5.48 0.00 2.93 3.11 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 20 A 8.36 3.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.53 4.32 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 22 Q 8.35 5.63 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.08 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 23 V 8.15 3.97 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 0.66 0.00 0.00 0.99 0.00 0.00 24 L 9.23 3.36 0.00 1.80 1.76 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.32 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.74 4.75 0.00 1.74 1.83 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.75 5.08 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.92 0.97 0.00 0.00 28 G 9.49 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.18 4.62 0.00 1.56 1.59 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.35 4.55 0.00 2.81 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 31 C 7.72 4.98 0.00 2.88 3.03 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 32 K 8.74 4.73 0.00 1.80 1.85 0.00 1.33 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.59 7.81 33 V 8.65 3.80 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 0.80 0.00 0.00 0.90 0.00 0.00 34 P 0.00 4.37 0.00 1.77 1.53 0.00 3.66 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 1.72 1.59 0.00 35 S 8.39 4.18 0.00 3.81 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 36 Q 7.50 4.44 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.37 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 37 N 8.11 4.50 0.00 2.61 2.62 0.00 0.00 6.66 7.68 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 38 V 7.12 4.17 1.94 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 0.66 0.00 0.00 1.04 0.00 0.00 39 Y 7.66 4.92 0.00 2.93 2.93 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 40 D 7.49 4.50 0.00 2.81 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 41 G 8.86 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.69 4.43 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 1.23 0.00 0.00 43 D 8.12 4.57 0.00 2.96 2.68 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 44 F 7.92 3.93 0.00 3.30 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 45 R 7.97 4.06 0.00 2.17 2.00 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 46 N 8.27 4.33 0.00 2.76 2.87 0.00 0.00 6.70 7.24 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 47 V 8.26 3.54 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.95 0.00 0.00 48 C 8.31 4.39 0.00 3.42 3.22 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 49 A 9.05 3.87 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.81 3.88 0.00 2.06 1.88 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.64 7.81 51 T 8.02 4.43 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 1.29 0.00 0.00 52 G 7.82 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.14 4.68 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 54 Q 8.86 4.78 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 55 P 0.00 5.28 0.00 1.95 2.48 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 56 L 8.65 5.29 0.00 1.70 1.64 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 57 C 9.49 5.45 0.00 2.79 3.26 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 58 C 9.49 5.61 0.00 2.89 3.05 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 0.00 0.00 0.00 59 V 8.07 5.01 1.87 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 0.26 0.00 0.00 0.86 0.00 0.00 60 A 8.26 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.31 0.00 2.05 2.02 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 62 V 8.12 4.35 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 1.01 0.00 0.00 0.96 0.00 0.00 63 A 8.81 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.79 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 65 Q 7.49 4.51 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 66 A 8.35 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.23 4.46 0.00 1.80 1.62 1.01 0.68 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 68 L 8.41 4.75 0.00 1.73 1.86 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 C 9.59 5.60 0.00 2.83 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 70 Q 8.48 4.73 0.00 1.82 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 1.16 2.10 0.00 71 T 8.31 4.46 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 1.20 0.00 0.00 72 A 8.13 3.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.51 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 0.77 0.00 0.00 0.86 0.00 0.00 74 G 8.71 3.99 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 0.00 0.00 0.00