NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3147 8.2493 123.5809 51.6049 19.0367 175.0366 7 P 4.3381 0.0000 0.0000 60.1765 32.6368 176.4854 8 D 4.7517 9.0630 123.0826 52.0995 43.5579 177.9385 9 F 3.9254 8.7370 119.7418 62.2245 39.0940 176.7850 10 H 4.4596 8.2350 114.9975 58.5083 28.4490 177.4255 11 D 4.2757 8.5255 120.5136 57.2209 40.7814 178.5085 12 K 3.6448 7.5835 117.4053 59.0097 32.3229 178.1793 13 Y 4.7452 7.5376 114.1004 56.8631 39.3375 177.7567 14 G 3.9898 7.9521 108.0828 48.2882 0.0000 175.2089 15 N 4.3221 8.2739 118.5662 55.8295 38.5714 177.2448 16 A 3.9790 7.9263 121.3564 55.1619 18.6484 179.4405 17 V 3.5534 7.8955 116.8079 66.1444 31.4997 177.7127 18 L 3.9347 8.1175 119.5994 58.2990 41.9294 178.9082 19 A 4.0009 8.1306 120.6310 55.2364 18.3443 179.6326 20 S 4.4267 8.7697 112.9847 60.7393 63.2874 176.8863 21 G 3.6844 8.6365 109.9924 47.8172 0.0000 175.5109 22 A 4.0552 8.2786 123.8081 55.1256 18.3690 179.9352 23 T 3.9365 8.0605 114.2430 66.4941 68.6450 177.0601 24 F 4.2319 8.5991 122.8449 61.4126 39.6041 176.5442 25 C 3.9587 8.4199 118.4761 62.7143 31.5259 175.5947 26 V 3.6349 7.7974 119.4008 65.9654 30.9270 177.9462 27 A 4.0046 7.7290 120.1758 55.2307 18.3428 180.1042 28 V 3.5662 7.6143 117.4675 64.2302 31.4301 178.7812 29 W 3.7772 8.1052 119.7887 59.5864 28.8279 178.3801 30 V 3.6466 7.8088 117.9471 66.2818 30.9068 177.0827 31 Y 4.0588 8.1942 119.0747 61.1863 38.4180 177.8599 32 M 3.8657 8.2100 117.5717 58.6766 32.3468 177.7404 33 A 4.6592 8.5487 120.6637 54.6170 18.6340 178.1363 34 T 4.5385 7.5890 104.8349 61.5025 70.6742 174.7715 35 Q 4.3145 7.8151 119.0798 55.6216 29.7272 176.0210 36 I 4.2294 7.4190 110.0463 59.8615 37.9715 175.3458 37 G 3.7992 7.9316 106.9727 47.0630 0.0000 174.5626 38 I 3.6349 7.6266 119.3405 60.4030 37.9598 175.5387 39 E 4.4345 8.2983 125.6456 54.5321 30.0857 175.4458 40 W 4.3628 8.8613 125.8287 56.4189 30.3900 175.9182 41 N 4.1195 7.9820 115.0257 53.9827 36.6995 170.6854 42 P 4.6403 0.0000 0.0000 60.9677 33.4944 176.5423 43 S 4.0929 8.5468 112.5830 58.3560 62.4165 172.5740 44 P 4.2625 0.0000 0.0000 65.0165 31.5505 175.9515 45 V 3.5764 7.4206 117.8368 64.2662 31.2466 176.2267 46 G 3.9758 9.0103 114.7467 45.9825 0.0000 173.3092 47 R 4.5515 7.6520 113.2381 54.7091 30.8721 175.3227 48 V 4.3193 7.9428 119.0920 61.1535 33.3778 174.7464 49 T 4.2796 8.3961 124.0495 62.0908 68.9551 172.8156 50 P 4.4685 0.0000 0.0000 62.2328 32.1179 175.8999 51 K 4.6568 8.3089 121.8418 54.2307 34.1970 176.1814 52 E 4.1497 8.7170 122.3121 56.4564 29.8840 176.9521 53 W 4.6428 8.2631 119.3037 56.9972 29.9826 176.0049 54 R 3.4624 6.9468 122.9307 56.0432 29.2853 175.5772 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 A 8.25 4.31 1.28 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 0.00 0.00 0.00 7 P 0.00 4.34 0.00 2.19 2.02 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 8 D 9.06 4.75 0.00 2.98 2.91 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 0.00 0.00 0.00 9 F 8.74 3.93 0.00 3.25 2.97 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 0.00 0.00 0.00 10 H 8.24 4.46 0.00 3.37 3.42 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.53 4.28 0.00 2.67 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 12 K 7.58 3.64 0.00 0.79 0.74 0.00 1.40 0.00 0.00 1.40 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.11 1.28 7.81 13 Y 7.54 4.75 0.00 2.46 2.72 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 14 G 7.95 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 15 N 8.27 4.32 0.00 2.74 2.90 0.00 0.00 6.92 7.19 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 16 A 7.93 3.98 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 17 V 7.90 3.55 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.12 0.00 0.00 18 L 8.12 3.93 0.00 1.97 1.90 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.13 4.00 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 20 S 8.77 4.43 0.00 4.05 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 0.00 21 G 8.64 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 22 A 8.28 4.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.06 3.94 4.38 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 1.29 0.00 0.00 24 F 8.60 4.23 0.00 3.19 3.40 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 25 C 8.42 3.96 0.00 3.21 2.99 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 26 V 7.80 3.63 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 0.98 0.00 0.00 0.95 0.00 0.00 27 A 7.73 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 28 V 7.61 3.57 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 0.04 0.00 0.00 0.74 0.00 0.00 29 W 8.11 3.78 0.00 3.56 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 30 V 7.81 3.65 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 1.04 0.00 0.00 1.01 0.00 0.00 31 Y 8.19 4.06 0.00 3.10 3.12 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 32 M 8.21 3.87 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 33 A 8.55 4.66 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 34 T 7.59 4.54 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 1.21 0.00 0.00 35 Q 7.82 4.31 0.00 0.93 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.18 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 36 I 7.42 4.23 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.77 0.00 0.00 37 G 7.93 3.80 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 0.00 0.00 0.00 38 I 7.63 3.63 1.48 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.37 -0.35 0.00 0.00 39 E 8.30 4.43 0.00 1.84 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 0.00 2.19 2.36 0.00 40 W 8.86 4.36 0.00 3.30 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 41 N 7.98 4.12 0.00 2.79 2.80 0.00 0.00 7.16 7.47 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 42 P 0.00 4.64 0.00 2.23 2.08 0.00 3.90 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 43 S 8.55 4.09 0.00 3.85 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 44 P 0.00 4.26 0.00 2.22 2.09 0.00 3.68 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 2.11 2.08 0.00 45 V 7.42 3.58 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 0.93 0.00 0.00 0.93 0.00 0.00 46 G 9.01 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 0.00 0.00 0.00 47 R 7.65 4.55 0.00 2.00 1.99 0.00 3.03 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 48 V 7.94 4.32 2.21 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 0.84 0.00 0.00 0.94 0.00 0.00 49 T 8.40 4.28 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 1.23 0.00 0.00 50 P 0.00 4.47 0.00 2.09 2.03 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 51 K 8.31 4.66 0.00 1.78 1.77 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.46 7.81 52 E 8.72 4.15 0.00 1.92 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 0.00 2.31 2.20 0.00 53 W 8.26 4.64 0.00 3.56 3.20 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 0.00 0.00 0.00 0.00 54 R 6.95 3.46 0.00 0.67 0.66 0.00 2.78 0.00 0.00 2.90 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.02 0.00