NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0699 8.2549 119.6756 54.9273 31.7893 175.0793 2 P 3.9379 0.0000 0.0000 62.6258 31.9599 175.7786 3 D 4.3994 8.3416 121.3175 56.9234 41.7808 178.5969 4 F 4.4286 7.9324 114.7578 59.6469 37.6693 177.7207 5 C 4.7036 7.4571 116.0724 59.1342 40.0052 174.7660 6 L 4.2686 7.7250 118.9811 54.3476 41.9395 176.8134 7 E 4.1927 7.6023 119.8047 55.2578 30.0368 175.2658 8 P 4.4020 0.0000 0.0000 61.6204 32.0735 174.6150 9 P 3.5732 0.0000 0.0000 62.8152 31.3528 175.6856 10 Y 4.6027 7.4981 120.2164 55.9306 40.1535 175.0133 11 T 4.1099 8.3343 125.3631 65.1069 68.8108 176.2772 12 G 3.7041 6.6091 107.8775 43.9292 0.0000 170.9801 13 P 4.4004 0.0000 0.0000 63.6762 31.9038 177.0564 14 C 4.5278 7.6510 116.4014 56.6150 40.8635 173.4293 15 K 3.8696 8.2013 118.7580 57.2213 32.5444 177.1985 16 A 4.1815 7.6200 121.7338 51.5403 19.8251 177.1645 17 R 4.6753 7.8732 116.2496 54.5233 30.1034 174.2981 18 I 4.2908 8.4797 122.3476 59.7152 39.6707 175.7609 19 I 4.1647 8.2423 127.9922 61.2454 37.7606 175.3129 20 R 4.7828 8.4758 125.3290 54.5623 35.0096 173.5648 21 Y 5.5984 9.3553 116.8337 56.5717 41.7358 175.2513 22 F 5.7332 9.5082 116.7096 55.4015 42.3346 172.7666 23 Y 4.1254 9.5335 121.9508 57.1501 39.9640 174.2086 24 N 4.7980 7.7209 126.3389 50.9771 37.7368 174.4223 25 A 4.1404 8.3745 127.9062 54.9893 18.7335 180.1464 26 K 3.7349 8.1682 113.5705 58.3828 32.2291 177.6488 27 A 4.4094 8.0063 120.4229 50.9726 20.5808 177.3247 28 G 4.0273 8.2546 102.9255 45.3501 0.0000 172.7618 29 L 4.4227 6.5883 118.9490 54.7089 43.6086 174.1902 30 C 4.8457 8.6260 116.4208 57.3452 42.0242 173.3706 31 Q 4.7885 8.6807 121.1622 54.5247 33.5555 173.9153 32 T 4.8441 8.5254 110.5053 61.1979 70.5839 173.7013 33 F 5.0221 9.2627 117.9820 55.8174 42.4224 172.7427 34 V 4.3758 8.3281 118.5622 61.3753 32.6429 173.9436 35 Y 4.7779 8.8691 130.2043 55.9972 40.7027 176.3704 36 G 3.6663 8.6464 112.7565 47.0906 0.0000 175.2477 37 G 3.7039 6.8178 108.3882 44.8628 0.0000 171.8047 38 C 4.9703 6.6363 111.9544 54.7985 44.7156 173.1327 39 R 3.9288 8.8746 115.7397 57.1088 26.8071 176.7465 40 A 4.1428 8.4092 120.2195 52.4632 18.7724 178.8141 41 K 4.3318 8.4432 122.2195 55.2468 33.5711 177.2686 42 R 3.6310 8.1466 117.9639 58.7569 30.3887 177.4255 43 N 4.8562 7.6512 118.6747 51.0520 36.6366 173.9721 44 N 4.8905 6.6883 114.2129 53.0496 41.5990 173.5230 45 F 5.0427 9.3435 125.7115 55.6069 42.3491 176.9834 46 K 4.3181 9.1502 121.0795 58.2950 32.7016 177.7394 47 S 4.4379 7.8420 112.8352 55.4391 67.2805 174.6085 48 A 3.5626 7.1525 124.5080 54.8353 18.0462 179.9175 49 E 3.7459 7.7717 117.5528 59.4627 29.8419 178.2952 50 D 4.2830 7.8400 118.8526 57.6198 40.9201 177.8893 51 C 2.4500 7.7310 118.3916 59.6901 44.3514 175.7317 52 M 3.8763 8.5189 120.4941 58.2181 31.2220 178.8529 53 R 3.8604 7.5617 118.3629 59.4415 30.3044 178.3100 54 T 4.1275 7.4143 114.7003 65.6531 68.8128 174.9083 55 C 4.5341 8.1945 115.0191 56.3205 41.7991 174.2170 56 G 3.6491 7.8027 114.1329 45.5760 0.0000 173.7130 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 R 8.25 4.07 0.00 1.58 1.60 0.00 2.88 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.28 0.00 2 P 0.00 3.94 0.00 0.99 1.58 0.00 3.31 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.96 0.00 3 D 8.34 4.40 0.00 2.72 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.93 4.43 0.00 3.34 3.37 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 5 C 7.46 4.70 0.00 2.87 3.07 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 6 L 7.72 4.27 0.00 1.81 1.76 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.60 4.19 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 8 P 0.00 4.40 0.00 2.00 1.96 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 9 P 0.00 3.57 0.00 0.84 0.49 0.00 3.43 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.00 10 Y 7.50 4.60 0.00 2.78 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.33 4.11 4.12 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 1.16 0.00 0.00 12 G 6.61 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.40 0.00 2.17 2.18 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 14 C 7.65 4.53 0.00 2.77 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 15 K 8.20 3.87 0.00 1.67 1.79 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.37 7.81 16 A 7.62 4.18 1.14 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 0.00 0.00 17 R 7.87 4.68 0.00 1.58 1.76 0.00 3.16 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 18 I 8.48 4.29 1.99 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 1.19 0.86 0.95 0.00 0.00 19 I 8.24 4.16 1.81 0.00 0.00 0.83 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 0.40 0.68 0.00 0.00 20 R 8.48 4.78 0.00 0.73 1.84 0.00 3.44 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 21 Y 9.36 5.60 0.00 3.15 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 22 F 9.51 5.73 0.00 3.25 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.53 4.13 0.00 3.19 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 24 N 7.72 4.80 0.00 2.10 2.38 0.00 0.00 6.60 8.03 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 25 A 8.37 4.14 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 3.73 0.00 1.91 1.90 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.52 7.81 27 A 8.01 4.41 1.13 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 0.00 0.00 28 G 8.25 4.03 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 0.00 0.00 0.00 29 L 6.59 4.42 0.00 1.69 1.74 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.63 4.85 0.00 2.87 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 31 Q 8.68 4.79 0.00 1.53 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 32 T 8.53 4.84 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 0.83 0.00 0.00 33 F 9.26 5.02 0.00 2.93 3.06 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 0.00 0.00 0.00 0.00 34 V 8.33 4.38 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 0.69 0.00 0.00 0.88 0.00 0.00 35 Y 8.87 4.78 0.00 2.50 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.65 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 37 G 6.82 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 6.64 4.97 0.00 3.05 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 39 R 8.87 3.93 0.00 2.20 2.40 0.00 3.28 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 8.41 4.14 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 4.33 0.00 1.75 1.87 0.00 1.39 0.00 0.00 1.46 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.26 7.81 42 R 8.15 3.63 0.00 1.20 0.66 0.00 2.61 0.00 0.00 2.95 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.33 0.00 43 N 7.65 4.86 0.00 3.16 2.85 0.00 0.00 6.94 8.31 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 44 N 6.69 4.89 0.00 2.72 2.60 0.00 0.00 7.09 7.02 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 45 F 9.34 5.04 0.00 3.27 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.15 4.32 0.00 1.85 1.96 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.48 7.81 47 S 7.84 4.44 0.00 3.83 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.15 3.56 0.92 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 0.00 0.00 49 E 7.77 3.75 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 2.34 0.00 50 D 7.84 4.28 0.00 3.03 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 51 C 7.73 2.45 0.00 2.81 3.04 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 52 M 8.52 3.88 0.00 1.96 2.11 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 2.57 2.70 0.00 53 R 7.56 3.86 0.00 1.92 2.01 0.00 3.24 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 54 T 7.41 4.13 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 1.54 0.00 0.00 55 C 8.19 4.53 0.00 2.94 2.70 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 0.00 0.00 0.00 0.00 56 G 7.80 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00