NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8337 8.0501 120.3733 62.7187 32.6269 174.6472 2 A 4.5490 7.2651 128.8221 49.3498 21.2557 175.2170 3 Y 4.6833 8.1946 118.4224 57.0814 39.0286 174.3808 4 W 5.1018 6.5510 115.3295 56.7418 30.9324 178.0417 5 R 4.3662 6.6901 121.5052 57.4322 29.0029 176.1709 6 Q 4.0145 8.9567 126.6535 57.8352 28.4091 174.9587 7 A 4.0432 7.7586 118.6505 54.3918 19.2262 177.3480 8 G 4.1895 7.9930 104.8196 46.7416 0.0000 174.7642 9 L 4.6643 7.6488 118.8518 52.6115 44.5236 175.8756 10 S 4.4579 8.5400 121.2741 58.0354 64.0137 174.3816 11 Y 3.5043 8.9896 122.9559 61.6026 38.1773 178.1445 12 I 3.6032 8.1054 118.4976 65.1833 37.0934 177.3409 13 R 3.8848 8.2221 118.3298 60.5684 29.8726 177.4733 14 Y 3.4902 7.6913 118.2943 60.1673 38.2102 177.5382 15 S 4.0595 8.1208 116.2238 62.2680 62.7874 176.2063 16 Q 3.9852 8.4799 122.5549 58.9569 28.5335 178.0069 17 I 3.6905 8.2212 121.3967 64.5318 37.2269 177.7515 18 C 3.9943 7.7874 117.6308 62.5378 27.8979 175.4455 19 A 3.9870 7.9242 121.7010 55.4664 17.8833 179.2410 20 K 3.9548 7.4071 113.6359 58.2866 32.4913 177.3143 21 A 4.5513 8.1860 120.1884 54.1044 20.3566 178.7836 22 V 3.5634 7.6018 115.5203 66.2096 31.7485 178.0736 23 R 4.1028 8.0000 117.1505 59.1634 29.9953 178.4348 24 D 4.4662 8.0356 117.0651 55.9134 42.1384 177.3361 25 A 4.5715 7.4601 123.6550 49.9984 16.1057 174.4925 26 L 4.7310 7.1981 122.4439 53.1584 47.2179 175.6065 27 K 4.8037 8.2645 118.5678 57.0611 33.7743 176.1121 28 T 4.2936 8.5039 111.7918 65.1491 69.4481 175.6410 29 E 3.9112 8.2300 121.3308 58.0718 29.8970 176.0668 30 F 4.5333 7.7347 115.7322 56.3900 41.1648 172.8792 31 K 4.3148 8.1134 130.2721 56.5724 35.0955 175.9520 32 A 4.2421 8.3273 119.9280 53.8571 18.5273 177.1258 33 N 4.8933 8.0553 111.7300 52.6248 40.8254 175.8529 34 A 4.3979 7.8117 118.8421 53.5240 19.4640 179.0615 35 M 4.1385 7.8776 116.4614 58.3776 32.4228 178.1331 36 K 4.0446 8.0469 116.6095 59.1390 32.5097 177.6187 37 T 4.1005 7.0959 113.0415 63.7901 69.2014 172.1214 38 S 4.1108 8.3760 120.5050 57.9479 63.5927 169.1280 39 G 4.2159 7.8120 108.0766 43.9096 0.0000 173.3916 40 S 4.7704 7.9404 115.4314 57.6631 62.7488 175.9636 41 T 4.0336 7.7693 109.6974 65.4034 68.1554 174.9092 42 I 4.2926 7.8393 123.1594 59.8654 38.7819 174.4053 43 K 4.6507 8.2067 122.3477 54.9030 34.9593 176.3121 44 I 4.3978 7.7466 119.4823 59.2658 36.9721 174.3537 45 V 3.8929 7.7598 120.0140 62.0262 31.1020 175.4428 46 K 4.5356 8.0276 124.6062 56.3694 33.8793 176.4569 47 V 3.6981 7.4065 124.3962 62.8573 31.5002 175.1870 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 V 8.05 3.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.87 0.00 0.00 2 A 7.27 4.55 0.71 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 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.19 4.68 0.00 3.05 3.02 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 4 W 6.55 5.10 0.00 3.38 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 R 6.69 4.37 0.00 1.41 1.60 0.00 3.46 0.00 0.00 3.30 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.15 0.00 6 Q 8.96 4.01 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 7 A 7.76 4.04 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 8 G 7.99 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.65 4.66 0.00 1.64 1.88 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.54 4.46 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 11 Y 8.99 3.50 0.00 3.04 2.90 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 12 I 8.11 3.60 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.68 0.93 0.00 0.00 13 R 8.22 3.88 0.00 1.91 2.02 0.00 3.11 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 14 Y 7.69 3.49 0.00 1.93 1.79 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 15 S 8.12 4.06 0.00 3.94 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 16 Q 8.48 3.99 0.00 2.27 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 17 I 8.22 3.69 1.69 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.10 0.83 0.00 0.00 18 C 7.79 3.99 0.00 3.09 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 19 A 7.92 3.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.41 3.95 0.00 1.77 2.00 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 21 A 8.19 4.55 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 22 V 7.60 3.56 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 0.91 0.00 0.00 0.99 0.00 0.00 23 R 8.00 4.10 0.00 1.82 1.98 0.00 3.22 0.00 0.00 3.44 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 24 D 8.04 4.47 0.00 2.78 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 25 A 7.46 4.57 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 26 L 7.20 4.73 0.00 1.62 1.79 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.26 4.80 0.00 1.84 1.74 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.37 1.60 7.81 28 T 8.50 4.29 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 1.20 0.00 0.00 29 E 8.23 3.91 0.00 1.98 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 0.00 1.89 2.24 0.00 30 F 7.73 4.53 0.00 2.98 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 31 K 8.11 4.31 0.00 1.93 1.74 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.35 7.81 32 A 8.33 4.24 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.06 4.89 0.00 2.79 2.83 0.00 0.00 6.93 8.05 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 34 A 7.81 4.40 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 35 M 7.88 4.14 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.63 0.00 36 K 8.05 4.04 0.00 1.72 1.89 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.55 7.81 37 T 7.10 4.10 4.28 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 1.22 0.00 0.00 38 S 8.38 4.11 0.00 4.15 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 39 G 7.81 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 0.00 0.00 0.00 0.00 40 S 7.94 4.77 0.00 3.98 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 41 T 7.77 4.03 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 42 I 7.84 4.29 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.80 0.91 0.00 0.00 43 K 8.21 4.65 0.00 1.65 1.69 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.47 7.81 44 I 7.75 4.40 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.06 0.91 0.00 0.00 45 V 7.76 3.89 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 0.81 0.00 0.00 0.93 0.00 0.00 46 K 8.03 4.54 0.00 1.85 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.38 7.81 47 V 7.41 3.70 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 0.76 0.00 0.00 0.93 0.00 0.00