NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3298 8.4444 120.2259 56.5998 30.9270 174.7831 5 I 4.0107 7.9116 119.7640 59.2375 40.9447 172.1539 6 N 4.6825 8.4598 126.8897 51.1289 39.4500 172.9202 7 P 4.2729 0.0000 0.0000 65.3145 31.5350 177.8858 8 L 4.1694 8.1272 118.5968 57.1326 41.8380 177.5433 9 H 4.7165 8.1639 114.0314 57.2599 30.4895 175.8553 10 A 3.7835 8.0403 125.0206 50.5022 17.1270 177.6825 11 Y 4.1879 7.7235 120.6992 59.1709 38.6750 178.7193 12 F 4.0388 6.5562 114.0551 57.9388 38.2863 174.9962 13 K 4.2443 6.6589 122.6533 54.3457 31.4201 175.1962 14 L 4.2902 7.9830 125.3476 53.0436 42.6078 175.7117 15 P 4.3783 0.0000 0.0000 63.0487 31.7577 175.9971 16 N 5.0405 8.6594 117.3899 52.4549 37.9222 173.9513 17 T 4.7733 7.5985 107.2169 60.3272 71.9376 173.3506 18 V 4.5060 8.0864 120.9800 60.0925 34.3577 174.9026 19 S 4.6313 8.4954 118.1374 56.6671 66.0760 173.2510 20 L 4.5393 8.4720 124.9767 53.5728 42.6444 176.3663 21 V 4.5341 7.9269 115.0752 60.0256 35.8263 174.2765 22 A 4.4965 7.7989 121.7502 51.8034 21.6106 175.6331 23 G 3.9649 8.0591 107.7923 45.5363 0.0000 172.5496 24 S 4.6164 8.4176 113.1282 57.1794 65.8593 173.2651 25 S 4.4706 7.9254 112.2988 57.8953 64.6194 175.0422 26 E 4.3967 8.6207 124.8734 55.8184 30.6140 175.8483 27 G 4.1545 7.7762 106.2728 44.9772 0.0000 173.8589 28 E 4.1295 8.8866 120.8235 58.4715 30.0275 177.7453 29 T 4.7768 7.4391 107.5197 58.2857 73.4482 172.7997 30 P 4.2542 0.0000 0.0000 65.8818 31.2753 178.7947 31 L 4.0560 7.8696 118.5242 58.1843 42.0148 178.5892 32 N 4.3790 8.3420 116.4521 56.0874 38.3830 177.3190 33 A 4.1629 8.3018 122.4771 54.8716 18.4099 179.4726 34 F 4.0592 8.4336 119.2691 61.5448 39.5289 176.7327 35 D 4.3829 8.6051 118.0499 57.4659 40.9961 178.5572 36 G 3.6481 8.5553 107.3706 47.1434 0.0000 175.5770 37 A 3.9638 8.0666 123.2448 54.8835 18.3309 179.7715 38 L 3.7783 7.7818 117.6038 57.7435 41.6926 179.6847 39 L 3.9292 7.9600 119.0356 57.8695 41.3446 179.1558 40 N 4.3172 8.0681 115.6502 56.2916 38.9838 176.1614 41 A 4.4904 7.1759 121.6263 52.0007 18.7045 178.1983 42 G 3.8977 8.0538 105.2989 45.4198 0.0000 173.5266 43 I 4.6228 7.7097 118.3311 60.3941 38.5395 176.8165 44 G 3.7278 8.3615 109.2828 47.0355 0.0000 174.8241 45 N 4.9823 8.0141 116.4424 52.9982 39.1767 174.5068 46 V 4.5441 7.4841 109.5173 59.5296 35.6587 174.6726 47 N 4.7345 8.5495 118.7371 52.1694 39.4008 174.8971 48 L 4.3885 8.4716 123.4966 53.5550 42.7215 176.4724 49 I 4.1802 8.0435 125.3506 59.0696 36.7510 174.9533 50 R 3.9329 8.4472 126.0089 56.3034 30.3340 175.9298 51 I 4.4654 8.1844 118.9629 59.4508 39.5931 175.7155 52 S 4.2066 8.2806 115.7597 58.7032 63.0249 173.6943 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 4 E 8.44 4.33 0.00 1.98 1.95 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 2.21 2.31 0.00 5 I 7.91 4.01 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.56 0.88 0.00 0.00 6 N 8.46 4.68 0.00 2.72 2.68 0.00 0.00 6.96 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 7 P 0.00 4.27 0.00 2.18 2.13 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 8 L 8.13 4.17 0.00 1.68 1.75 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.16 4.72 0.00 3.25 3.37 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.04 3.78 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.72 4.19 0.00 3.11 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 12 F 6.56 4.04 0.00 2.92 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.66 4.24 0.00 1.43 1.41 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.32 7.81 14 L 7.98 4.29 0.00 1.65 1.57 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.38 0.00 2.02 1.97 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 16 N 8.66 5.04 0.00 2.77 2.84 0.00 0.00 5.85 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 17 T 7.60 4.77 4.23 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 1.20 0.00 0.00 18 V 8.09 4.51 2.08 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 0.78 0.00 0.00 0.93 0.00 0.00 19 S 8.50 4.63 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 20 L 8.47 4.54 0.00 1.62 1.59 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.93 4.53 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.90 0.00 0.00 22 A 7.80 4.50 1.20 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 0.00 0.00 0.00 23 G 8.06 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 0.00 0.00 0.00 24 S 8.42 4.62 0.00 3.96 3.78 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 0.00 0.00 0.00 0.00 25 S 7.93 4.47 0.00 3.85 3.84 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 26 E 8.62 4.40 0.00 2.00 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 2.28 2.24 0.00 27 G 7.78 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.89 4.13 0.00 1.98 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 0.00 2.32 2.30 0.00 29 T 7.44 4.78 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 1.22 0.00 0.00 30 P 0.00 4.25 0.00 2.17 2.15 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 31 L 7.87 4.06 0.00 1.75 1.68 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.34 4.38 0.00 2.95 2.87 0.00 0.00 6.87 7.29 0.00 0.00 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 A 8.30 4.16 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 34 F 8.43 4.06 0.00 3.23 3.28 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 0.00 35 D 8.61 4.38 0.00 3.01 2.88 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 36 G 8.56 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 37 A 8.07 3.96 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 38 L 7.78 3.78 0.00 1.66 1.58 -0.10 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.96 3.93 0.00 1.84 1.68 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.07 4.32 0.00 2.77 2.96 0.00 0.00 7.25 7.41 0.00 0.00 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 A 7.18 4.49 1.33 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 0.00 0.00 0.00 42 G 8.05 3.90 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 0.00 0.00 0.00 43 I 7.71 4.62 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.97 0.84 0.00 0.00 44 G 8.36 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.98 0.00 2.69 2.81 0.00 0.00 6.69 7.68 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 46 V 7.48 4.54 2.08 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 0.74 0.00 0.00 0.96 0.00 0.00 47 N 8.55 4.73 0.00 2.71 2.76 0.00 0.00 6.90 7.85 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 48 L 8.47 4.39 0.00 1.70 1.65 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.04 4.18 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.91 0.00 0.00 50 R 8.45 3.93 0.00 1.79 1.86 0.00 3.24 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 51 I 8.18 4.47 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.78 0.91 0.00 0.00 52 S 8.28 4.21 0.00 3.93 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