NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3595 8.3231 115.2835 59.0835 63.6346 171.6745 2 G 3.3566 8.5121 110.8370 45.9921 0.0000 171.3283 3 N 4.1101 8.2875 124.8970 55.3360 38.9462 171.1842 4 Y 4.6679 7.6625 115.2518 56.4254 41.6873 176.2459 5 V 3.1094 6.5983 120.1069 63.3657 31.5903 172.5178 6 L 4.3817 7.3985 119.3544 57.7720 42.7451 177.9022 7 D 4.4209 7.8510 118.2308 57.2425 39.5972 178.6052 8 L 3.9850 7.6667 119.1686 57.8736 41.4760 179.4521 9 I 4.0233 7.6256 119.3181 64.3831 37.1061 177.6100 10 Y 3.7962 8.0283 119.8333 60.0949 38.1011 177.3580 11 S 4.1587 8.0164 114.5144 61.3888 62.3514 175.8296 12 L 3.8059 7.4807 123.0601 57.7520 41.8763 178.0305 13 H 3.7748 7.6008 118.3848 59.2666 29.6136 177.3793 14 K 3.9572 7.8559 120.0833 59.3569 31.8582 179.0750 15 Q 4.0018 7.5838 119.6150 59.3006 28.9207 178.6000 16 I 3.7357 7.6754 120.8596 64.0167 36.9219 177.9431 17 N 4.2049 7.8266 117.0567 56.8156 38.6994 176.7758 18 R 4.1541 8.6585 120.4793 58.9829 29.8992 178.6596 19 G 3.4281 8.0934 105.2421 46.8367 0.0000 175.0689 20 L 4.6588 7.7101 121.3976 53.5926 40.7195 176.2857 21 K 4.4778 7.4748 121.0195 57.9077 35.4068 178.0335 22 K 3.9888 7.7348 117.6925 59.4021 33.2785 178.9617 23 I 4.0234 7.7214 119.6682 63.2955 38.0318 178.1871 24 V 3.6801 7.9035 118.8577 65.8585 31.4514 176.2930 25 L 4.3799 8.0883 118.5706 55.1334 41.8009 176.7766 26 G 3.8902 7.3184 103.5939 45.0492 0.0000 173.9907 27 W 4.9944 7.8857 118.0062 55.7898 29.6015 175.1598 28 A 4.4207 7.8444 124.5814 52.3129 18.7181 176.8714 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 4.36 0.00 3.85 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 G 8.51 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 0.00 0.00 0.00 3 N 8.29 4.11 0.00 2.83 2.90 0.00 0.00 7.25 7.53 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 4 Y 7.66 4.67 0.00 3.15 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 6.60 3.11 2.02 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 0.67 0.00 0.00 0.95 0.00 0.00 6 L 7.40 4.38 0.00 1.75 1.58 0.91 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.85 4.42 0.00 2.78 2.71 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 8 L 7.67 3.99 0.00 1.40 1.60 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.63 4.02 2.05 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 1.60 0.93 0.92 0.00 0.00 10 Y 8.03 3.80 0.00 3.23 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 11 S 8.02 4.16 0.00 3.99 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 12 L 7.48 3.81 0.00 1.94 1.70 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 H 7.60 3.77 0.00 2.75 2.31 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.86 3.96 0.00 1.85 1.85 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.72 7.81 15 Q 7.58 4.00 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 16 I 7.68 3.74 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.67 0.83 0.00 0.00 17 N 7.83 4.20 0.00 2.74 2.90 0.00 0.00 7.16 6.96 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 18 R 8.66 4.15 0.00 2.00 1.89 0.00 3.15 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 19 G 8.09 3.43 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 0.00 0.00 0.00 0.00 20 L 7.71 4.66 0.00 1.77 1.66 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.47 4.48 0.00 1.97 1.79 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.40 7.81 22 K 7.73 3.99 0.00 1.80 2.04 0.00 1.35 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 23 I 7.72 4.02 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.91 1.07 0.00 0.00 24 V 7.90 3.68 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 0.87 0.00 0.00 0.97 0.00 0.00 25 L 8.09 4.38 0.00 1.63 1.66 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.32 3.89 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 0.00 0.00 0.00 27 W 7.89 4.99 0.00 3.43 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 4.42 1.24 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 0.00 0.00 0.00