NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4462 8.3049 120.3484 54.8327 34.5875 176.4253 2 L 4.5729 7.3420 115.6046 53.0230 43.7542 174.5340 3 T 4.7546 7.1259 113.3627 60.8368 68.7232 173.6954 4 R 4.0621 7.8045 116.3852 57.2969 30.4327 176.7406 5 F 3.1423 7.7409 116.9652 57.1754 38.7744 174.6013 6 L 4.6528 8.6065 120.9571 51.6501 43.3080 176.2365 7 G 4.4872 8.7221 113.2888 43.5678 0.0000 171.3283 8 P 4.2270 0.0000 0.0000 65.7066 31.1737 178.9466 9 R 3.7918 7.8963 116.4274 59.7297 30.0400 177.8801 10 Y 4.0431 7.8077 115.9813 61.0239 38.0209 178.4279 11 R 3.9605 8.6768 119.9608 59.6883 29.9765 178.5086 12 Q 4.0507 8.2345 116.8257 58.9060 28.9778 178.4562 13 L 4.2389 8.6924 120.1018 58.0484 41.6430 179.2007 14 A 4.1141 8.2922 120.4664 55.7919 18.1091 179.9766 15 R 3.9907 8.0555 115.4600 59.0781 29.9053 178.7284 16 N 4.5120 8.1320 115.3750 54.7313 38.9618 176.3117 17 W 4.4334 7.7678 119.0924 56.3997 29.6044 178.2356 18 V 3.5954 7.3362 118.5598 65.7359 31.1021 175.9079 19 P 4.2444 0.0000 0.0000 65.9952 31.0572 178.6757 20 T 3.8291 7.8027 113.6183 66.6055 68.5020 176.3171 21 A 4.1441 8.6603 122.9165 55.2918 18.4262 179.2674 22 Q 3.9376 8.4150 118.1473 59.4802 29.3101 178.3101 23 L 4.0065 7.9955 121.2104 57.9679 42.1550 178.7986 24 W 4.1975 8.9247 128.7739 60.5234 30.6445 178.1739 25 G 3.6894 8.5506 105.5942 47.8106 0.0000 175.4256 26 A 3.9783 8.1066 123.0636 54.9067 18.3331 179.4623 27 V 3.4572 7.5472 116.4810 66.3921 31.5120 178.3940 28 G 3.6652 7.8818 104.6064 47.8541 0.0000 175.0304 29 A 3.9249 8.2091 123.2683 55.0460 18.4567 179.6359 30 V 3.5858 8.1836 116.3928 66.0463 31.5092 178.7327 31 G 3.5122 8.3824 105.7232 47.6677 0.0000 175.4843 32 L 3.9159 8.2831 123.7342 57.7216 42.2365 178.7406 33 V 3.5267 8.0294 118.4734 66.4729 31.2178 177.9263 34 S 4.1190 8.1468 111.7809 61.3084 62.2542 175.8716 35 A 4.2233 7.8195 123.1647 54.0597 18.1336 178.0863 36 T 4.3604 7.2564 104.1109 60.7860 69.6366 173.7331 37 D 4.6272 8.0679 123.3888 53.9616 40.7276 175.0286 38 S 4.6872 8.7145 111.1672 59.0798 62.6111 175.7872 39 R 4.2888 8.0422 117.8396 58.0268 30.5279 178.1416 40 L 4.0712 7.8639 114.0254 54.2971 41.3573 175.1982 41 I 3.7834 8.2463 122.8455 61.1206 40.2426 171.3553 42 L 3.5336 8.2007 130.3088 54.8597 37.8686 173.6570 43 D 5.2001 8.2233 121.3455 50.9505 41.4340 175.3456 44 W 3.6235 9.6889 126.2615 56.7131 31.2842 175.1060 45 V 3.6020 8.6030 115.9218 60.0330 29.4105 172.3105 46 P 4.5703 0.0000 0.0000 63.5176 30.1621 177.4882 47 T 4.2515 8.2017 111.3954 60.5255 67.8523 173.8961 48 I 2.8047 8.9340 129.3848 62.9791 38.5020 173.3809 49 N 4.6888 8.5635 116.7157 53.5357 37.8185 174.6326 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 M 8.30 4.45 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 L 7.34 4.57 0.00 1.73 1.60 0.93 0.50 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 3 T 7.13 4.75 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 4 R 7.80 4.06 0.00 1.68 1.82 0.00 2.70 0.00 0.00 2.93 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 5 F 7.74 3.14 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.61 4.65 0.00 1.61 1.60 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.72 4.49 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 0.00 8 P 0.00 4.23 0.00 2.17 2.15 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 9 R 7.90 3.79 0.00 1.76 1.67 0.00 3.02 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.58 0.00 10 Y 7.81 4.04 0.00 3.36 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.68 3.96 0.00 1.89 2.17 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 12 Q 8.23 4.05 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 13 L 8.69 4.24 0.00 2.03 1.83 0.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.29 4.11 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 15 R 8.06 3.99 0.00 1.94 2.01 0.00 3.15 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 16 N 8.13 4.51 0.00 2.94 2.69 0.00 0.00 6.93 7.84 0.00 0.00 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 W 7.77 4.43 0.00 3.37 3.32 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 18 V 7.34 3.60 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 1.15 0.00 0.00 1.04 0.00 0.00 19 P 0.00 4.24 0.00 2.14 2.08 0.00 3.61 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 2.06 2.17 0.00 20 T 7.80 3.83 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 21 A 8.66 4.14 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 22 Q 8.42 3.94 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 23 L 8.00 4.01 0.00 2.18 1.90 0.95 1.10 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 24 W 8.92 4.20 0.00 3.62 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 25 G 8.55 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 3.46 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 0.55 0.00 0.00 0.65 0.00 0.00 28 G 7.88 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 3.92 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 30 V 8.18 3.59 2.15 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 0.97 0.00 0.00 0.93 0.00 0.00 31 G 8.38 3.51 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 0.00 32 L 8.28 3.92 0.00 1.69 1.79 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.03 3.53 2.22 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 1.04 0.00 0.00 0.98 0.00 0.00 34 S 8.15 4.12 0.00 3.90 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 35 A 7.82 4.22 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 36 T 7.26 4.36 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 37 D 8.07 4.63 0.00 3.02 2.75 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 0.00 0.00 0.00 0.00 38 S 8.71 4.69 0.00 3.91 3.92 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 39 R 8.04 4.29 0.00 2.05 2.15 0.00 2.83 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 40 L 7.86 4.07 0.00 1.81 1.75 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.25 3.78 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 0.27 0.91 0.00 0.00 42 L 8.20 3.53 0.00 1.85 1.75 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.22 5.20 0.00 2.90 2.87 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 44 W 9.69 3.62 0.00 3.49 3.28 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 45 V 8.60 3.60 2.17 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 0.81 0.00 0.00 1.14 0.00 0.00 46 P 0.00 4.57 0.00 2.05 2.08 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 47 T 8.20 4.25 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 1.22 0.00 0.00 48 I 8.93 2.80 1.86 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 1.40 0.70 0.90 0.00 0.00 49 N 8.56 4.69 0.00 2.89 2.92 0.00 0.00 6.70 7.56 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