NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0704 8.0544 120.4153 62.6996 32.5991 174.1201 7 D 4.7372 8.7993 126.6613 52.5389 43.0306 174.5841 8 C 4.8528 8.5190 123.0056 56.6864 41.6574 175.3490 9 S 4.0267 7.7916 116.6581 61.2986 62.6039 174.8665 10 E 4.3897 8.3505 118.7484 56.4962 29.2137 175.2305 11 Y 4.4776 7.8065 116.8821 55.1602 40.8808 173.5298 12 P 5.2592 0.0000 0.0000 62.2265 32.5730 175.4549 13 K 4.5699 8.9767 117.6335 53.6786 34.8598 176.2361 14 P 4.3273 0.0000 0.0000 64.9736 31.6405 176.0677 15 A 4.7441 7.2552 120.5322 50.9764 22.2553 174.5881 16 C 5.1291 8.4046 116.8305 54.9381 43.8783 174.6368 17 T 4.2960 8.4496 112.9633 62.0469 69.2130 174.0612 18 S 4.8670 8.2754 116.5496 58.0399 63.5843 174.5837 19 E 4.3278 8.1270 117.0767 55.7957 30.8190 175.0577 20 Y 4.8650 8.4031 121.0737 56.4759 39.6300 176.1510 21 R 4.6190 8.4619 127.5530 53.8051 32.4619 172.6266 22 P 4.5747 0.0000 0.0000 62.6689 33.1092 175.7726 23 L 4.9555 8.8762 120.7585 53.1034 46.2920 174.5352 24 C 4.9387 8.7875 122.8791 54.9525 45.6924 173.7010 25 G 4.6152 8.9670 114.3532 45.1941 0.0000 174.3927 26 S 4.4557 9.1047 114.9561 59.8451 63.0901 174.6415 27 D 4.6635 8.1103 119.9275 52.9137 39.3808 176.2826 28 N 4.2351 8.0828 114.7415 54.1347 36.9757 173.4113 29 K 4.4052 8.2623 120.5854 55.3439 34.0285 175.6393 30 T 4.6758 8.3235 124.1216 63.4923 69.3306 173.4916 31 Y 4.3211 9.3353 125.3304 56.2723 39.3960 177.4033 32 G 3.7173 9.0553 113.2835 48.6677 0.0000 172.5118 33 N 5.2945 7.7111 116.6360 51.4123 40.9314 175.0636 34 K 3.8970 8.5707 121.2973 59.9351 32.1384 179.0685 35 C 4.7659 8.2299 119.4493 59.2923 39.8813 175.1380 36 N 4.3770 8.9102 118.4152 56.2309 38.1655 177.1054 37 F 3.3917 8.3529 121.9848 61.4707 39.4877 176.5776 38 C 3.6997 8.2672 116.3771 59.7883 39.6569 175.9363 39 N 4.2721 8.0978 117.9352 56.1101 38.1066 177.3496 40 A 3.8669 7.6790 122.3280 54.8478 18.3710 179.7925 41 V 3.1715 7.0632 116.7824 65.9706 31.4400 178.4340 42 V 3.4995 7.5008 117.8851 66.0673 31.1880 177.6435 43 E 3.9223 8.2037 118.1523 58.7156 29.5739 177.8813 44 S 4.3992 7.9554 112.6115 57.3387 63.3302 173.5789 45 N 4.1866 9.0352 119.9372 55.0924 37.4765 174.8507 46 G 3.9138 8.3481 103.0172 45.5251 0.0000 175.2734 47 T 4.0948 7.4219 110.4998 63.0187 69.4574 175.2306 48 L 4.2185 7.6846 124.3950 54.6536 42.7913 175.3904 49 T 4.8758 8.5599 114.6002 59.5535 73.0127 172.2461 50 L 4.1174 8.4649 124.1659 55.1341 42.1702 176.0070 51 S 4.4491 8.9654 122.9111 60.2991 62.7945 173.3377 52 H 4.4972 7.1701 112.2637 54.7581 31.2816 172.5894 53 F 4.3442 8.7355 117.9278 58.0179 39.5806 176.4903 54 G 3.9340 8.4231 110.4169 44.4285 0.0000 173.4031 55 K 4.1721 8.1078 117.3239 56.3067 32.6259 178.2556 56 C 4.5141 8.9187 118.6088 57.4639 41.0545 173.8071 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 V 8.05 4.07 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 1.02 0.00 0.00 1.03 0.00 0.00 7 D 8.80 4.74 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.52 4.85 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.79 4.03 0.00 4.12 4.04 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 10 E 8.35 4.39 0.00 2.00 1.91 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 2.31 2.38 0.00 11 Y 7.81 4.48 0.00 3.24 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 5.26 0.00 2.22 2.12 0.00 3.71 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 1.98 2.00 0.00 13 K 8.98 4.57 0.00 1.71 1.60 0.00 1.39 0.00 0.00 1.49 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 0.45 7.81 14 P 0.00 4.33 0.00 2.17 2.18 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 15 A 7.26 4.74 1.25 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 0.00 0.00 0.00 16 C 8.40 5.13 0.00 2.99 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 17 T 8.45 4.30 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 1.24 0.00 0.00 18 S 8.28 4.87 0.00 3.89 3.93 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 19 E 8.13 4.33 0.00 2.13 1.99 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 2.31 2.27 0.00 20 Y 8.40 4.86 0.00 2.86 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.46 4.62 0.00 1.68 1.72 0.00 3.18 0.00 0.00 3.21 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 22 P 0.00 4.57 0.00 1.96 1.65 0.00 3.31 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.60 0.00 23 L 8.88 4.96 0.00 1.37 1.08 0.44 1.06 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 24 C 8.79 4.94 0.00 2.86 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.97 4.62 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 0.00 0.00 0.00 26 S 9.10 4.46 0.00 3.99 4.02 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 27 D 8.11 4.66 0.00 2.84 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.08 4.24 0.00 2.93 2.98 0.00 0.00 6.76 6.91 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 29 K 8.26 4.41 0.00 1.77 1.64 0.00 1.45 0.00 0.00 1.12 0.00 0.00 2.38 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.76 1.17 7.81 30 T 8.32 4.68 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 1.25 0.00 0.00 31 Y 9.34 4.32 0.00 3.07 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 32 G 9.06 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 0.00 0.00 0.00 33 N 7.71 5.29 0.00 2.99 3.07 0.00 0.00 6.35 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 34 K 8.57 3.90 0.00 1.85 1.92 0.00 1.86 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.54 1.51 7.81 35 C 8.23 4.77 0.00 3.21 3.35 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 0.00 0.00 0.00 36 N 8.91 4.38 0.00 3.16 3.08 0.00 0.00 6.68 8.71 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 37 F 8.35 3.39 0.00 2.99 3.07 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 0.00 0.00 0.00 0.00 38 C 8.27 3.70 0.00 1.57 1.55 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.10 4.27 0.00 2.99 2.89 0.00 0.00 6.86 6.85 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 40 A 7.68 3.87 1.12 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 0.00 0.00 41 V 7.06 3.17 1.80 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 0.79 0.00 0.00 0.01 0.00 0.00 42 V 7.50 3.50 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 1.02 0.00 0.00 1.00 0.00 0.00 43 E 8.20 3.92 0.00 2.07 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 0.00 2.31 2.31 0.00 44 S 7.96 4.40 0.00 4.05 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 45 N 9.04 4.19 0.00 2.81 2.89 0.00 0.00 7.19 8.82 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 46 G 8.35 3.91 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 0.00 0.00 0.00 47 T 7.42 4.09 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 1.23 0.00 0.00 48 L 7.68 4.22 0.00 1.52 1.38 1.05 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.56 4.88 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 1.21 0.00 0.00 50 L 8.46 4.12 0.00 1.32 1.40 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.97 4.45 0.00 3.85 3.91 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 52 H 7.17 4.50 0.00 3.22 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.74 4.34 0.00 3.06 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 54 G 8.42 3.93 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 0.00 0.00 0.00 55 K 8.11 4.17 0.00 1.81 1.81 0.00 1.83 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.56 7.81 56 C 8.92 4.51 0.00 2.93 3.01 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