NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.1099 8.0544 114.0787 61.2406 32.9745 174.1051 7 D 4.7663 8.7665 124.1290 52.4210 42.5908 175.3656 8 C 5.0117 9.3102 127.1709 56.8484 37.5917 175.3554 9 S 4.2544 8.6274 118.3675 61.9047 62.6622 176.4960 10 E 4.1474 8.3692 115.3010 57.2117 28.8568 175.9972 11 Y 4.3837 7.9255 118.3483 55.4521 39.7902 173.3920 12 P 4.7877 0.0000 0.0000 62.4109 32.3161 175.3203 13 K 4.4253 9.2737 119.9278 53.6945 34.2201 175.1458 14 P 4.3233 0.0000 0.0000 64.8151 31.7833 175.9132 15 A 4.6866 7.1239 120.4183 51.2724 22.2404 174.7358 16 C 5.1042 8.4260 117.0762 55.0045 43.9381 174.5161 17 T 4.2917 8.4974 114.3873 61.0981 69.2681 172.4708 18 P 4.8066 0.0000 0.0000 62.7921 32.1068 176.0268 19 E 4.1060 8.0943 116.4269 57.3811 30.5225 175.5859 20 Y 4.7008 8.5326 123.1315 56.8534 38.9640 175.3323 21 R 4.5393 8.5195 127.6083 53.5702 32.1594 173.2269 22 P 4.7840 0.0000 0.0000 62.4407 33.3634 175.3860 23 L 5.0058 8.5152 119.4649 53.1416 46.6511 174.4703 24 C 5.1026 8.8629 121.6944 54.8622 41.9519 173.9339 25 G 4.5975 8.8045 113.9342 45.0047 0.0000 174.5503 26 S 4.5528 9.4919 114.2195 59.3305 62.8922 174.5915 27 D 4.7279 8.1595 120.7932 52.9708 39.3630 176.9379 28 N 4.2246 8.0309 114.0154 54.2289 37.2295 173.5525 29 K 4.3705 7.6901 120.3871 55.3368 33.9138 175.6683 30 T 4.5499 8.3395 124.4060 63.6102 69.3630 173.4539 31 Y 4.2172 8.7976 125.0389 56.2508 39.3532 177.4281 32 G 3.6761 9.0350 113.2821 48.6035 0.0000 172.4575 33 N 5.3890 7.6616 116.7019 51.5596 40.8298 175.0638 34 K 4.0170 8.5339 121.2061 59.8800 32.1021 179.0897 35 C 4.5640 8.2190 119.5428 59.3490 40.0886 175.1779 36 N 4.3716 8.8222 118.2706 56.1211 38.2441 177.2144 37 F 3.6310 8.7471 122.4061 61.5056 39.4182 176.6771 38 C 3.7075 8.4464 116.4743 59.6760 38.6638 175.8262 39 N 4.2456 8.0368 117.8130 55.7583 38.0581 177.3157 40 A 3.9259 7.4104 122.6757 54.7863 18.4117 179.7772 41 V 3.1658 6.9239 116.3858 65.8518 31.4862 178.5497 42 V 3.4834 7.2781 117.7811 65.9690 31.2123 177.5201 43 E 4.0505 8.0183 118.4475 59.1307 29.7814 178.0427 44 S 4.3947 8.1364 112.1853 57.5388 63.0881 173.6483 45 N 4.1817 9.3768 119.6121 55.0475 37.4789 175.0017 46 G 3.9320 8.5253 103.7022 45.4057 0.0000 175.5175 47 T 3.9989 7.4353 116.5760 65.5578 68.7673 175.0497 48 L 4.2773 7.4530 123.0403 54.4319 42.9289 175.2727 49 T 4.8429 8.6343 114.7884 59.7507 72.9976 171.8341 50 L 4.3318 8.3869 123.4284 54.5096 42.1627 176.2360 51 S 4.4616 9.1426 123.7907 60.6625 64.1897 173.8459 52 H 4.1730 7.0444 112.3219 55.0871 30.7861 173.6068 53 F 4.4381 8.9181 118.0960 58.1353 39.5140 175.2844 54 G 3.8691 8.3181 109.2275 44.2954 0.0000 173.5372 55 K 4.2250 8.0941 117.5656 56.0676 32.7539 178.3499 56 C 4.5177 8.6338 118.0520 57.4666 41.0781 173.8293 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 6 V 8.05 4.11 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 0.93 0.00 0.00 1.05 0.00 0.00 7 D 8.77 4.77 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.31 5.01 0.00 2.86 2.84 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 0.00 0.00 0.00 0.00 9 S 8.63 4.25 0.00 3.97 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 10 E 8.37 4.15 0.00 1.90 1.92 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 2.34 2.41 0.00 11 Y 7.93 4.38 0.00 3.19 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 P 0.00 4.79 0.00 2.20 2.13 0.00 3.72 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 1.99 1.96 0.00 13 K 9.27 4.43 0.00 1.15 1.54 0.00 1.16 0.00 0.00 0.80 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.06 1.18 7.81 14 P 0.00 4.32 0.00 2.21 2.15 0.00 3.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 15 A 7.12 4.69 1.25 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 0.00 0.00 16 C 8.43 5.10 0.00 2.98 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.50 4.29 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 1.24 0.00 0.00 18 P 0.00 4.81 0.00 2.25 2.22 0.00 3.80 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 1.98 1.98 0.00 19 E 8.09 4.11 0.00 2.16 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 0.00 2.33 2.28 0.00 20 Y 8.53 4.70 0.00 2.92 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 21 R 8.52 4.54 0.00 1.68 1.73 0.00 3.20 0.00 0.00 3.36 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 22 P 0.00 4.78 0.00 1.96 1.76 0.00 3.32 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.72 0.00 23 L 8.52 5.01 0.00 1.42 1.04 0.40 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.86 5.10 0.00 2.87 2.53 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 25 G 8.80 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.49 4.55 0.00 3.97 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 27 D 8.16 4.73 0.00 2.90 2.97 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 28 N 8.03 4.22 0.00 2.93 2.97 0.00 0.00 6.74 7.63 0.00 0.00 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 K 7.69 4.37 0.00 1.77 1.75 0.00 1.49 0.00 0.00 1.39 0.00 0.00 2.50 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.52 1.13 7.81 30 T 8.34 4.55 4.20 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 0.00 0.00 0.00 1.20 0.00 0.00 31 Y 8.80 4.22 0.00 3.19 3.10 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 32 G 9.04 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 5.39 0.00 2.99 3.09 0.00 0.00 6.36 7.20 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 34 K 8.53 4.02 0.00 1.86 1.93 0.00 1.85 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.57 1.51 7.81 35 C 8.22 4.56 0.00 3.24 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.82 4.37 0.00 3.06 3.08 0.00 0.00 6.69 7.67 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 37 F 8.75 3.63 0.00 2.97 3.12 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 0.00 0.00 0.00 0.00 38 C 8.45 3.71 0.00 1.23 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.04 4.25 0.00 2.85 2.89 0.00 0.00 6.82 7.96 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 40 A 7.41 3.93 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 41 V 6.92 3.17 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 -0.07 0.00 0.00 42 V 7.28 3.48 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 0.74 0.00 0.00 0.98 0.00 0.00 43 E 8.02 4.05 0.00 2.18 1.94 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 2.32 2.32 0.00 44 S 8.14 4.39 0.00 4.04 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.38 4.18 0.00 2.77 2.88 0.00 0.00 7.22 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 46 G 8.53 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 47 T 7.44 4.00 4.43 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 1.19 0.00 0.00 48 L 7.45 4.28 0.00 1.49 1.29 1.05 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.63 4.84 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 50 L 8.39 4.33 0.00 1.39 1.36 -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.14 4.46 0.00 3.71 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 52 H 7.04 4.17 0.00 3.21 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.92 4.44 0.00 2.90 2.96 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 54 G 8.32 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 55 K 8.09 4.23 0.00 1.80 1.79 0.00 1.88 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.50 7.81 56 C 8.63 4.52 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00