NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4410 8.3193 115.4121 57.6271 64.5878 174.2449 2 P 4.4018 0.0000 0.0000 61.3023 29.9617 174.1392 3 T 4.6518 7.0689 119.8028 61.6084 70.2390 173.7400 4 C 4.5373 8.5835 114.5356 55.8071 43.6585 173.6738 5 I 4.2210 8.2254 121.8086 60.4296 37.8595 174.2173 6 P 4.7439 0.0000 0.0000 61.8493 33.0680 175.7289 7 S 4.3938 8.5554 115.3026 60.4328 62.5602 174.4696 8 G 4.0018 8.7488 115.5371 45.1435 0.0000 173.5647 9 Q 4.5863 7.7630 118.6036 53.9406 30.9731 173.3661 10 P 4.9312 0.0000 0.0000 62.8086 32.1045 174.3982 11 C 4.9850 8.4359 119.1699 52.9361 43.5185 172.5763 12 P 3.8739 0.0000 0.0000 65.2175 31.5428 175.7210 13 Y 4.9337 6.9145 114.1763 55.8051 42.1204 175.4680 14 N 4.5311 8.7989 117.5532 55.3592 38.7773 176.1655 15 E 4.5480 8.1797 118.0526 56.0900 29.9812 175.2583 16 N 5.0111 8.3188 113.9049 53.4393 40.3602 172.8251 17 C 4.9149 7.8740 114.4513 56.1516 41.6678 175.4302 18 C 4.2128 8.8692 121.5583 59.7926 39.8479 175.1513 19 S 4.1888 7.9466 111.0626 57.8845 63.2771 174.6090 20 Q 3.7852 7.8639 118.3611 56.4129 26.8299 173.2195 21 S 4.6583 7.9056 114.8610 57.1622 64.9950 172.3863 22 C 5.2661 8.7036 122.0970 55.8040 43.3784 172.9361 23 T 4.7266 8.4908 115.6272 60.6351 71.6187 171.9296 24 F 5.1223 8.8122 120.8004 55.6530 41.3495 175.2662 25 K 4.7961 8.9745 123.0170 54.3989 35.7502 175.2711 26 E 4.8088 8.7292 122.9770 55.5351 30.7712 176.0110 27 N 4.8963 8.3108 123.0573 52.1119 40.8950 174.0460 28 E 4.2250 8.4874 117.4924 58.4485 30.1193 178.1005 29 N 4.1187 8.0254 115.8839 55.1032 39.1532 175.3560 30 G 3.9345 7.8999 105.4707 45.6961 0.0000 172.6336 31 N 5.0327 7.7504 117.6896 51.4657 41.3526 172.6764 32 T 5.1147 8.2529 112.5711 61.3422 70.2884 173.4861 33 V 4.7798 8.9204 128.7073 61.1012 35.6744 173.4096 34 K 5.0296 7.8845 118.8826 54.0471 34.9399 176.1149 35 R 5.1182 8.0589 122.2668 54.6557 34.6559 174.1959 36 C 5.1664 8.3892 118.6997 55.2288 46.3691 174.3281 37 D 4.6084 8.5419 123.5877 54.6567 40.0688 176.2638 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 8.32 4.44 0.00 3.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.28 2.13 0.00 3.74 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 1.98 2.01 0.00 3 T 7.07 4.65 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 4 C 8.58 4.54 0.00 3.08 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 5 I 8.23 4.22 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 0.88 0.00 0.00 6 P 0.00 4.74 0.00 2.10 2.16 0.00 3.77 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 2.14 1.95 0.00 7 S 8.56 4.39 0.00 3.97 3.82 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 8 G 8.75 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 0.00 0.00 0.00 9 Q 7.76 4.59 0.00 2.28 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 10 P 0.00 4.93 0.00 1.99 1.99 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 11 C 8.44 4.99 0.00 2.88 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 12 P 0.00 3.87 0.00 0.49 1.69 0.00 3.55 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 13 Y 6.91 4.93 0.00 2.98 2.80 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 14 N 8.80 4.53 0.00 2.87 2.88 0.00 0.00 6.43 7.71 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 15 E 8.18 4.55 0.00 1.95 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 2.26 2.28 0.00 16 N 8.32 5.01 0.00 2.94 2.69 0.00 0.00 7.14 7.70 0.00 0.00 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 C 7.87 4.91 0.00 3.02 3.11 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 18 C 8.87 4.21 0.00 2.99 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.95 4.19 0.00 3.97 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.86 3.79 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 21 S 7.91 4.66 0.00 3.77 3.97 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 0.00 0.00 0.00 22 C 8.70 5.27 0.00 3.07 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 23 T 8.49 4.73 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 1.23 0.00 0.00 24 F 8.81 5.12 0.00 2.97 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 25 K 8.97 4.80 0.00 1.69 1.69 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.36 7.81 26 E 8.73 4.81 0.00 1.95 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 0.00 2.26 2.52 0.00 27 N 8.31 4.90 0.00 2.77 2.78 0.00 0.00 6.91 7.00 0.00 0.00 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 E 8.49 4.22 0.00 2.04 1.93 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 2.34 2.35 0.00 29 N 8.03 4.12 0.00 2.71 2.84 0.00 0.00 7.24 7.98 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 30 G 7.90 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 0.00 0.00 0.00 31 N 7.75 5.03 0.00 2.76 2.79 0.00 0.00 6.42 7.06 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 32 T 8.25 5.11 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 1.04 0.00 0.00 33 V 8.92 4.78 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 0.82 0.00 0.00 1.04 0.00 0.00 34 K 7.88 5.03 0.00 1.14 1.31 0.00 1.54 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.68 0.21 7.81 35 R 8.06 5.12 0.00 1.65 1.77 0.00 3.06 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 1.54 1.50 0.00 36 C 8.39 5.17 0.00 3.07 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 37 D 8.54 4.61 0.00 2.74 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