NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2803 8.2644 123.5811 51.9783 20.6427 175.8655 2 M 4.6515 7.5954 112.8680 53.6274 35.5585 171.6311 3 D 4.9036 9.2304 119.0158 54.5344 42.6462 177.1752 4 C 4.4825 8.2739 116.5267 56.5977 41.5686 173.4660 5 T 3.1964 7.8821 116.0437 63.5178 64.4489 169.8781 6 T 3.8266 7.8743 111.0958 62.0226 69.3550 174.6828 7 G 4.1128 8.2704 113.5050 43.5958 0.0000 171.4679 8 P 4.1617 0.0000 0.0000 65.1716 31.4891 177.7378 9 C 4.8022 7.8800 117.1860 55.8813 43.9072 173.3958 10 C 5.6754 7.9012 113.4415 56.6889 43.2558 173.8196 11 R 4.0248 8.1345 126.9456 56.6855 30.3552 177.1854 12 Q 4.4984 7.4095 120.5307 57.2108 31.3499 175.9358 13 C 4.8834 7.7770 119.7922 56.8967 47.2182 174.3257 14 K 4.3014 7.6579 118.4100 56.6036 32.9215 175.0143 15 L 5.7537 7.9121 120.1915 53.0686 42.3010 176.3678 16 K 4.1117 8.7291 120.9301 56.1365 32.6235 174.8699 17 P 4.3703 0.0000 0.0000 62.6414 32.7012 175.5742 18 A 4.1737 8.5886 125.7998 56.4460 18.0061 177.0921 19 G 4.2629 9.0743 113.6546 46.5413 0.0000 172.8028 20 T 4.5449 7.8797 116.2917 61.3408 70.6494 173.8956 21 T 4.2675 8.7823 124.1661 63.5692 68.1875 173.3732 22 C 4.4699 8.9063 122.6310 57.3315 39.8155 173.8167 23 W 4.9508 8.1394 130.1249 55.0735 32.6571 174.5465 24 K 4.7965 8.5417 128.6116 54.5536 31.2222 174.8991 25 T 4.1712 7.8468 121.6067 60.7926 70.9280 176.0503 26 S 3.9631 8.1413 117.0565 61.3096 62.6474 175.8271 27 V 3.6715 7.5460 112.8349 63.8779 31.8986 175.3640 28 S 4.5241 7.1023 111.3384 58.8644 66.4832 174.3528 29 S 5.5537 7.7798 111.8113 58.9550 65.7321 173.6529 30 H 5.1267 9.0493 119.6391 54.8283 31.5187 173.0253 31 Y 4.9858 8.6201 116.8008 56.5574 42.2020 175.2740 32 C 5.0412 8.6086 117.4743 55.3245 41.0820 175.0198 33 T 4.5063 8.6911 113.4583 60.9339 68.7423 175.0359 34 G 4.0396 8.1193 107.5263 47.1359 0.0000 174.1261 35 R 4.3319 7.2042 115.0289 56.2990 32.2524 175.9030 36 S 4.8321 7.4566 110.7856 56.2061 65.8743 174.7446 37 C 4.3615 8.6299 119.5637 59.2473 40.1745 173.7180 38 E 3.9316 8.0321 117.9564 56.3465 28.1167 176.9238 39 C 4.3068 8.6242 121.9248 56.4272 40.1812 172.5835 40 P 4.6137 0.0000 0.0000 63.1408 31.4372 176.1052 41 S 4.6471 8.6549 111.8601 58.7801 63.4434 174.6373 42 Y 4.4002 7.8458 120.0244 55.8354 37.3892 173.8238 43 P 4.7252 0.0000 0.0000 62.1500 32.1581 176.8818 44 G 3.7096 8.4577 106.8032 46.5331 0.0000 172.9187 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 A 8.26 4.28 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.60 4.65 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 3 D 9.23 4.90 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.27 4.48 0.00 2.99 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 5 T 7.88 3.20 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 1.20 0.00 0.00 6 T 7.87 3.83 4.22 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 1.20 0.00 0.00 7 G 8.27 4.11 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 0.00 0.00 0.00 8 P 0.00 4.16 0.00 1.99 2.08 0.00 3.59 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 1.82 1.92 0.00 9 C 7.88 4.80 0.00 2.96 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 10 C 7.90 5.68 0.00 3.05 2.94 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 11 R 8.13 4.02 0.00 1.80 1.85 0.00 3.17 0.00 0.00 3.23 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 12 Q 7.41 4.50 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 13 C 7.78 4.88 0.00 2.86 3.01 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 14 K 7.66 4.30 0.00 1.98 1.93 0.00 1.53 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.49 1.43 7.81 15 L 7.91 5.75 0.00 1.67 1.69 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.73 4.11 0.00 1.69 1.83 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 17 P 0.00 4.37 0.00 2.10 2.01 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 18 A 8.59 4.17 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.07 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 0.00 0.00 0.00 0.00 20 T 7.88 4.54 4.33 0.00 0.00 0.00 0.00 0.00 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 21 T 8.78 4.27 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 0.37 0.00 0.00 22 C 8.91 4.47 0.00 3.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.14 4.95 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 24 K 8.54 4.80 0.00 1.66 1.57 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.20 1.31 7.81 25 T 7.85 4.17 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 26 S 8.14 3.96 0.00 3.73 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 27 V 7.55 3.67 2.03 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 0.76 0.00 0.00 0.74 0.00 0.00 28 S 7.10 4.52 0.00 3.89 3.72 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 29 S 7.78 5.55 0.00 3.81 3.75 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 30 H 9.05 5.13 0.00 3.23 3.42 0.00 5.57 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.62 4.99 0.00 2.86 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.61 5.04 0.00 3.06 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 33 T 8.69 4.51 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 1.23 0.00 0.00 34 G 8.12 4.04 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 0.00 0.00 0.00 35 R 7.20 4.33 0.00 2.00 1.85 0.00 3.37 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 36 S 7.46 4.83 0.00 3.82 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 37 C 8.63 4.36 0.00 3.04 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 E 8.03 3.93 0.00 1.96 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 2.31 2.28 0.00 39 C 8.62 4.31 0.00 2.99 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 40 P 0.00 4.61 0.00 2.18 2.13 0.00 3.99 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 41 S 8.65 4.65 0.00 3.90 3.95 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 42 Y 7.85 4.40 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 43 P 0.00 4.73 0.00 2.09 2.13 0.00 3.72 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 44 G 8.46 3.71 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 0.00 0.00 0.00