NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3183 8.1927 115.3908 57.7342 64.5714 174.2442 2 I 3.6138 8.1264 124.5677 62.8728 37.3106 176.3194 3 S 4.3139 7.7016 115.9158 60.9177 63.4034 175.8716 4 S 4.2420 8.3617 116.4374 61.0870 61.5907 176.5036 5 R 4.0051 7.7268 120.7272 59.2141 29.8111 179.1980 6 V 3.8732 7.7089 118.3853 64.2602 31.3705 178.5051 7 K 4.0982 7.7535 119.2364 59.5945 31.9588 178.8597 8 S 4.1265 8.2251 113.2778 61.0156 62.2494 175.9294 9 K 4.2385 7.9196 120.2362 58.4133 32.1158 179.1806 10 R 3.8686 7.8282 119.1322 59.5218 30.0600 178.2847 11 I 3.6827 7.8799 119.7850 64.5852 36.9217 177.8034 12 Q 3.9781 7.4266 117.3243 59.4392 29.0064 178.3384 13 L 4.2597 7.8398 116.2045 54.6564 41.9206 176.9411 14 G 3.7652 8.0987 107.1416 46.8014 0.0000 173.6424 15 L 4.8640 7.7641 118.6884 52.5330 44.3948 175.7256 16 N 5.1059 7.9934 115.6264 51.0649 39.7208 176.1212 17 Q 3.7852 8.5798 119.2209 59.1230 29.3727 179.9543 18 A 4.0153 8.1565 119.3116 54.9847 18.8345 179.2590 19 E 4.0135 8.7355 117.4756 59.3717 29.5003 179.0421 20 L 3.8867 7.9875 119.6747 58.3130 42.0054 178.5869 21 A 3.9356 7.7236 119.4421 54.1203 18.0530 178.7798 22 Q 4.1156 8.0280 116.5521 57.3514 29.3648 178.1736 23 K 3.9473 7.7707 118.3178 59.3201 32.2713 178.2652 24 V 3.6411 7.9232 117.0887 63.4417 31.5851 176.9529 25 G 3.8653 7.6672 107.0032 45.9846 0.0000 173.3066 26 T 4.4109 6.8577 114.9245 60.7071 69.4541 173.5966 27 T 4.5805 7.7424 109.7283 59.5736 72.8567 174.4501 28 Q 4.1075 8.4257 121.2231 59.6703 28.9158 178.5030 29 Q 3.9887 7.9909 118.2393 59.1029 28.7265 178.5757 30 S 4.2244 8.0533 116.1591 61.9958 63.0811 177.0211 31 I 3.8777 8.0078 122.0076 63.6102 36.6274 178.0993 32 E 4.0168 7.9813 120.5606 59.1546 29.5165 178.2524 33 Q 4.0044 8.7544 118.4645 59.5815 28.6778 178.0636 34 L 4.2083 7.9630 121.4726 57.9273 41.8271 178.4984 35 E 4.0325 8.3590 121.1556 58.7942 29.6882 178.3483 36 N 5.0262 8.2555 115.5048 52.2834 39.8073 174.6663 37 G 4.0371 7.9777 106.6169 46.4801 0.0000 175.1087 38 K 4.2400 8.9683 120.9314 56.9703 32.5856 176.2778 39 T 4.7738 7.4064 106.3060 60.8672 71.8145 173.2047 40 K 4.4188 8.6067 119.7324 57.4525 34.7150 177.1658 41 R 4.4820 7.4366 116.4748 53.2287 30.5225 172.9394 42 P 4.1883 0.0000 0.0000 61.8459 32.3479 178.8856 43 R 3.8950 8.0816 118.8066 58.4487 30.2631 177.6336 44 F 4.9139 6.7288 111.8871 56.3870 38.4853 176.8345 45 L 3.9533 7.6080 125.3359 58.6984 41.3388 177.2699 46 P 4.2787 0.0000 0.0000 65.7711 31.1600 178.2743 47 E 4.5756 8.1228 116.2071 57.6593 29.7805 178.6574 48 L 4.1376 8.3231 121.2688 58.1944 42.4521 178.4559 49 A 4.1304 8.4005 121.2028 55.1648 18.2901 179.2240 50 S 4.3372 7.9038 110.2370 60.2823 63.2931 176.2925 51 A 4.1288 8.0938 124.4690 54.5001 18.5079 178.8478 52 L 4.2381 7.9306 115.5197 55.2439 42.1118 178.1096 53 G 3.8304 8.0355 105.9598 45.4463 0.0000 172.9674 54 V 4.2775 7.3205 112.8160 59.2867 34.5840 175.1784 55 S 4.8677 8.1610 114.5782 56.9310 65.9950 175.0091 56 V 3.7096 8.5368 123.2104 66.0815 31.0138 178.1350 57 D 4.4134 8.0300 117.9895 56.8307 41.0881 177.8653 58 W 4.2732 8.1092 128.8369 60.7258 30.2770 177.6315 59 L 3.6819 8.2382 118.5505 58.0489 40.9124 179.5482 60 L 4.0238 7.3581 117.0954 56.8445 42.2565 179.1483 61 N 4.7472 8.6189 115.4575 55.9210 39.7363 175.7842 62 G 3.8483 7.6127 102.5748 45.2366 0.0000 174.3084 63 T 4.2099 7.0789 119.4692 64.4654 69.4505 174.0181 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 S 8.19 4.32 0.00 3.96 4.01 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 2 I 8.13 3.61 1.92 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 1.61 1.56 0.85 0.00 0.00 3 S 7.70 4.31 0.00 3.70 3.87 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 4 S 8.36 4.24 0.00 3.83 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 5 R 7.73 4.01 0.00 1.73 1.50 0.00 2.30 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.34 0.00 6 V 7.71 3.87 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.01 0.00 0.00 7 K 7.75 4.10 0.00 2.05 2.05 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.51 7.81 8 S 8.23 4.13 0.00 4.15 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 9 K 7.92 4.24 0.00 1.95 1.86 0.00 1.37 0.00 0.00 1.48 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.80 1.73 7.81 10 R 7.83 3.87 0.00 1.92 2.15 0.00 3.18 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 11 I 7.88 3.68 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 1.78 0.65 0.92 0.00 0.00 12 Q 7.43 3.98 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 13 L 7.84 4.26 0.00 1.67 1.69 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.10 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.76 4.86 0.00 1.65 1.60 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.99 5.11 0.00 2.92 2.87 0.00 0.00 7.40 7.32 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 17 Q 8.58 3.79 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.97 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 18 A 8.16 4.02 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.74 4.01 0.00 1.99 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 2.32 2.73 0.00 20 L 7.99 3.89 0.00 1.74 1.66 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.72 3.94 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.03 4.12 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 23 K 7.77 3.95 0.00 2.03 1.83 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.41 7.81 24 V 7.92 3.64 1.86 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 0.35 0.00 0.00 0.91 0.00 0.00 25 G 7.67 3.87 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 0.00 0.00 0.00 26 T 6.86 4.41 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 27 T 7.74 4.58 4.34 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 0.00 0.00 0.00 1.19 0.00 0.00 28 Q 8.43 4.11 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 29 Q 7.99 3.99 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 30 S 8.05 4.22 0.00 4.00 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 0.00 31 I 8.01 3.88 2.02 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.93 0.00 0.00 32 E 7.98 4.02 0.00 2.17 2.06 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 2.30 2.50 0.00 33 Q 8.75 4.00 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 34 L 7.96 4.21 0.00 1.83 1.87 0.93 1.15 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 35 E 8.36 4.03 0.00 2.04 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 0.00 2.39 2.58 0.00 36 N 8.26 5.03 0.00 2.80 2.81 0.00 0.00 7.04 8.51 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 37 G 7.98 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 0.00 0.00 0.00 38 K 8.97 4.24 0.00 1.71 1.84 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 39 T 7.41 4.77 4.18 0.00 0.00 0.00 0.00 0.00 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 40 K 8.61 4.42 0.00 1.67 1.80 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.29 1.38 7.81 41 R 7.44 4.48 0.00 1.68 1.74 0.00 3.17 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 42 P 0.00 4.19 0.00 0.64 1.36 0.00 3.60 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 43 R 8.08 3.90 0.00 1.76 2.07 0.00 3.17 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 44 F 6.73 4.91 0.00 3.20 3.27 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 45 L 7.61 3.95 0.00 1.80 1.72 0.85 1.42 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 46 P 0.00 4.28 0.00 2.24 2.12 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 47 E 8.12 4.58 0.00 2.04 2.06 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 2.38 2.45 0.00 48 L 8.32 4.14 0.00 2.03 2.12 1.02 1.52 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 49 A 8.40 4.13 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.90 4.34 0.00 4.12 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.09 4.13 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 52 L 7.93 4.24 0.00 1.69 1.77 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.04 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.32 4.28 1.85 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 -0.11 0.00 0.00 1.12 0.00 0.00 55 S 8.16 4.87 0.00 4.08 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 56 V 8.54 3.71 2.12 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 1.09 0.00 0.00 0.97 0.00 0.00 57 D 8.03 4.41 0.00 2.81 2.73 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 58 W 8.11 4.27 0.00 3.36 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 3.68 0.00 2.02 1.75 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.36 4.02 0.00 1.77 1.67 0.90 0.94 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 61 N 8.62 4.75 0.00 2.56 2.72 0.00 0.00 7.36 7.92 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 62 G 7.61 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 0.00 0.00 0.00 63 T 7.08 4.21 4.46 0.00 0.00 0.00 0.00 0.00 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