NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.1331 8.4449 120.3592 56.0642 30.9678 172.0716 3 Y 4.5877 6.9671 119.5975 55.7225 39.3719 172.5479 4 E 4.2110 9.3960 122.3471 56.5517 31.0847 176.2927 5 E 4.6300 8.6523 121.2235 55.2127 33.3749 175.0099 6 G 3.7996 8.8859 106.1586 43.5160 0.0000 171.1515 7 P 4.2694 0.0000 0.0000 64.3059 31.4164 177.1625 8 G 3.8466 8.8629 109.5422 45.8743 0.0000 173.8830 9 K 4.4403 7.9558 117.4871 55.7934 34.1172 176.1617 10 N 4.8266 7.9736 115.6460 52.5150 37.7814 174.5918 11 I 4.5112 7.0701 110.4423 59.1262 40.4953 173.2778 12 P 4.4054 0.0000 0.0000 63.5151 31.7596 175.7712 13 F 4.9646 7.0878 113.2795 54.9110 40.6693 174.2585 14 S 4.5406 8.4961 115.9500 57.5724 63.2261 174.1574 15 V 4.5063 7.9543 118.9649 61.1415 32.4131 176.6658 16 E 3.9742 8.1583 123.5342 58.1564 29.7329 177.0053 17 N 4.9196 7.8654 117.3132 51.0433 41.4859 174.8973 18 K 3.7186 8.4191 128.0712 59.4837 32.5079 178.9696 19 W 4.5080 7.8006 119.8407 59.3592 29.3145 178.3674 20 R 3.9757 8.8165 119.1857 59.2075 29.4532 178.2399 21 L 3.9549 8.2508 120.5535 58.0586 42.0033 178.4984 22 L 3.9463 8.0980 120.0471 58.3229 42.0104 178.8401 23 A 4.0458 8.0877 120.4284 55.3962 18.3400 179.4278 24 M 3.9882 8.1100 117.0777 59.0199 32.0451 178.8919 25 M 4.1748 8.3441 118.9890 58.7517 32.0473 179.0602 26 T 3.9898 8.3296 116.0905 66.6603 68.6082 176.7993 27 L 4.0049 8.0654 120.8739 58.0227 41.5537 178.7562 28 F 4.0496 8.7590 120.8553 61.8381 39.2261 177.2063 29 F 4.2179 8.8136 117.4016 60.2508 38.9095 178.1965 30 G 3.7639 8.5863 106.0766 47.7223 0.0000 175.9378 31 S 4.2425 8.5070 117.3125 61.1295 62.8040 176.8186 32 G 3.5347 7.4670 108.5681 47.4902 0.0000 175.1531 33 F 4.4740 8.2962 121.9685 60.9127 39.6276 176.8141 34 A 4.4145 8.6101 120.3540 54.6278 18.2140 179.0502 35 A 3.9682 7.9988 119.6588 55.4437 18.3512 177.9642 36 P 4.0949 0.0000 0.0000 65.7898 31.3819 178.8006 37 F 3.9484 7.8684 116.1511 60.5919 38.7504 177.5945 38 F 4.0950 8.4441 116.4791 59.8810 38.8348 177.8802 39 I 3.8303 7.8727 119.9637 63.9700 36.8411 178.4859 40 V 3.5068 7.9206 119.2988 65.9943 31.4385 177.9725 41 R 3.8086 7.8884 118.4370 59.6104 29.6249 177.7122 42 H 4.1552 8.1322 116.9435 59.6941 30.0136 176.9517 43 Q 4.0506 8.4348 119.9698 58.9098 27.2585 178.8039 44 L 4.1687 8.1919 120.0775 57.0299 41.4051 178.3114 45 L 4.3775 7.6546 116.7509 54.7657 41.7061 177.2933 46 K 4.2189 7.2290 118.5558 57.0901 33.1635 176.6133 47 K 3.9472 7.1966 120.6438 57.2681 33.5720 173.7844 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 2 H 8.44 4.13 0.00 2.97 3.19 0.00 5.70 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 6.97 4.59 0.00 2.99 2.71 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 4 E 9.40 4.21 0.00 1.96 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 0.00 2.33 2.27 0.00 5 E 8.65 4.63 0.00 1.92 1.82 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 2.23 2.48 0.00 6 G 8.89 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 7 P 0.00 4.27 0.00 2.02 2.01 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 8 G 8.86 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 9 K 7.96 4.44 0.00 1.83 1.77 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.44 7.81 10 N 7.97 4.83 0.00 2.77 2.85 0.00 0.00 5.82 7.81 0.00 0.00 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 I 7.07 4.51 0.90 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.26 0.69 0.00 0.00 12 P 0.00 4.41 0.00 2.21 2.17 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 13 F 7.09 4.96 0.00 3.02 2.85 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 14 S 8.50 4.54 0.00 3.84 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 4.51 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 0.86 0.00 0.00 0.85 0.00 0.00 16 E 8.16 3.97 0.00 1.92 1.97 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 2.32 2.29 0.00 17 N 7.87 4.92 0.00 2.78 2.66 0.00 0.00 6.96 6.75 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 18 K 8.42 3.72 0.00 1.50 1.71 0.00 0.78 0.00 0.00 1.05 0.00 0.00 2.70 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.62 0.21 7.81 19 W 7.80 4.51 0.00 3.63 3.25 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 20 R 8.82 3.98 0.00 1.93 1.97 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 21 L 8.25 3.95 0.00 1.86 1.74 1.07 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.10 3.95 0.00 2.00 2.06 1.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.09 4.05 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 24 M 8.11 3.99 0.00 1.95 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.91 0.00 25 M 8.34 4.17 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.45 0.00 26 T 8.33 3.99 4.58 0.00 0.00 0.00 0.00 0.00 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 27 L 8.07 4.00 0.00 1.93 1.74 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.76 4.05 0.00 2.87 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.81 4.22 0.00 3.34 3.08 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 0.00 0.00 0.00 0.00 30 G 8.59 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.51 4.24 0.00 3.97 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 0.00 32 G 7.47 3.53 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 0.00 33 F 8.30 4.47 0.00 3.06 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 34 A 8.61 4.41 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 3.97 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 36 P 0.00 4.09 0.00 1.61 1.85 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.07 0.00 37 F 7.87 3.95 0.00 3.28 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 38 F 8.44 4.09 0.00 3.19 3.18 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 0.00 39 I 7.87 3.83 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.02 0.92 0.00 0.00 40 V 7.92 3.51 2.20 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 0.94 0.00 0.00 0.80 0.00 0.00 41 R 7.89 3.81 0.00 1.77 1.94 0.00 3.00 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 42 H 8.13 4.16 0.00 3.25 3.50 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.43 4.05 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 44 L 8.19 4.17 0.00 1.81 1.69 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.65 4.38 0.00 1.62 1.68 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.23 4.22 0.00 1.86 1.80 0.00 1.43 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.37 7.81 47 K 7.20 3.95 0.00 1.65 1.61 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.18 1.16 7.81