NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8541 8.3544 109.7365 45.6354 0.0000 172.7285 2 S 4.3058 8.2247 117.1192 57.6857 65.0528 173.0591 3 S 4.3866 8.0781 114.4384 56.5141 65.6102 171.8075 4 G 3.4150 7.7927 117.6913 44.9334 0.0000 172.1716 5 S 4.7519 7.8369 121.8827 56.5844 67.1982 173.9582 6 S 4.7119 8.4183 116.7722 56.8771 66.4479 174.2664 7 G 4.3272 8.3714 111.9746 43.9254 0.0000 171.8961 8 N 5.0088 8.4828 115.6994 51.2922 41.1048 174.1119 9 N 4.8780 8.4610 118.8711 51.7890 39.5050 174.6375 10 S 4.5355 8.6163 112.9957 59.2725 64.5908 174.1587 11 L 4.7638 7.2863 120.5973 51.8834 44.7203 175.3904 12 V 3.4141 8.3290 122.5098 61.5773 32.0336 174.1396 13 P 4.4621 0.0000 0.0000 63.2662 31.3826 175.7942 14 K 5.0169 8.4255 126.1882 55.9233 35.1059 174.5404 15 Y 4.6344 8.2979 118.1832 56.6761 42.0265 173.9865 16 H 4.8241 8.6287 117.4799 53.2603 29.4005 173.7005 17 P 4.7615 0.0000 0.0000 63.7320 31.3054 175.3238 18 N 5.3368 7.8753 115.9510 52.0956 42.8577 172.9872 19 F 5.1958 8.9373 121.7649 57.1954 42.2794 173.7002 20 W 4.5266 6.1593 130.8029 55.4989 31.3705 174.8168 21 M 4.1643 8.6000 125.4523 54.9903 35.9828 173.8316 22 D 4.7226 8.5977 118.3547 56.5205 38.9017 173.5595 23 G 4.3594 8.1808 100.3176 45.8328 0.0000 173.3919 24 K 4.3142 7.5003 113.3879 55.4587 35.6300 174.6581 25 W 4.6961 7.7725 119.5788 57.1678 29.7677 176.9065 26 R 4.5236 8.5240 117.4923 57.6484 31.3331 178.0596 27 C 4.3884 8.4875 112.0540 60.1684 30.2064 173.9533 28 C 4.5434 7.9678 112.7541 57.0080 31.3668 173.6505 29 S 4.5860 8.2001 113.3335 59.0635 59.7972 171.1787 30 Q 4.4135 8.0001 119.3385 55.7584 29.7671 176.7332 31 L 5.1592 8.2755 116.5240 55.6305 40.9520 175.8225 32 E 4.7101 7.8677 117.9122 54.8287 32.5609 177.2891 33 K 3.5545 8.7013 122.2281 59.4266 32.8104 177.8488 34 L 4.5457 7.6055 116.7854 53.7479 41.9772 175.9406 35 A 3.8910 7.3791 121.1100 53.2034 18.5641 178.8353 36 T 4.1454 8.5312 119.5993 62.6975 69.4780 174.5096 37 G 3.5347 8.0594 112.4947 44.4376 0.0000 172.7588 38 C 4.3901 7.9059 115.8001 59.1061 31.8504 174.0480 39 A 4.0250 7.5322 122.9585 50.7697 18.8144 177.3768 40 Q 4.4368 8.5765 122.4913 55.8179 29.6771 175.9411 41 Y 4.4997 8.2362 121.5945 57.6095 38.7913 175.3866 42 D 4.7545 8.6118 118.2113 51.7814 43.3689 174.4644 43 P 4.5712 0.0000 0.0000 66.2156 31.6860 178.0479 44 T 3.9108 7.8003 108.2920 63.8434 68.9973 175.3314 45 K 4.0459 7.7947 130.0797 55.9167 30.4112 174.9375 46 N 4.4905 7.6848 120.4095 52.8376 42.4078 173.9912 47 A 4.8384 8.2200 120.3722 51.2719 19.5061 176.0027 48 S 4.6665 7.6735 113.5596 58.7540 67.0814 174.4968 49 K 4.6395 8.2766 122.2835 54.5363 35.1683 175.3634 50 K 4.5646 8.3347 125.1798 53.5724 34.8174 174.0563 51 P 4.5692 0.0000 0.0000 61.9536 32.3365 175.6715 52 L 4.2522 8.0607 118.2039 53.5998 42.1257 175.6144 53 P 4.4041 0.0000 0.0000 61.8580 31.9811 175.1282 54 P 4.5475 0.0000 0.0000 62.7307 32.5562 175.0555 55 T 4.5521 7.9824 107.6958 59.1953 70.5774 172.4309 56 P 4.4745 0.0000 0.0000 62.5918 32.3364 174.5162 57 E 4.4774 8.2435 116.9961 54.6608 31.6282 174.3350 58 D 4.7184 8.2240 118.8370 51.7509 41.3096 175.0178 59 N 4.0688 8.4214 115.7866 52.6567 39.0629 175.0162 60 R 4.0532 8.2835 118.1129 56.7469 29.6146 175.4281 61 R 4.4423 7.7215 110.5250 54.7015 31.1508 172.6346 62 P 4.5794 0.0000 0.0000 62.8672 32.7179 176.2799 63 L 4.7462 8.2765 117.8894 54.7258 39.8248 176.4707 64 W 4.4862 7.6929 119.1192 57.2664 28.2204 175.8680 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 G 8.35 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.22 4.31 0.00 3.86 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 3 S 8.08 4.39 0.00 3.82 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.79 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.84 4.75 0.00 3.80 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 6 S 8.42 4.71 0.00 3.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 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 0.00 0.00 0.00 0.00 8 N 8.48 5.01 0.00 2.68 2.70 0.00 0.00 6.72 7.99 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 9 N 8.46 4.88 0.00 2.79 2.78 0.00 0.00 5.95 7.61 0.00 0.00 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 S 8.62 4.54 0.00 3.97 3.99 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 L 7.29 4.76 0.00 1.57 1.53 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.33 3.41 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 1.16 0.00 0.00 0.99 0.00 0.00 13 P 0.00 4.46 0.00 2.18 2.20 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.80 0.00 14 K 8.43 5.02 0.00 1.73 1.66 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.55 7.81 15 Y 8.30 4.63 0.00 2.94 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 16 H 8.63 4.82 0.00 2.85 2.77 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.76 0.00 2.26 2.34 0.00 3.49 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 18 N 7.88 5.34 0.00 2.77 2.98 0.00 0.00 6.90 7.43 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 19 F 8.94 5.20 0.00 3.14 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 20 W 6.16 4.53 0.00 1.78 1.74 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.60 4.16 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 22 D 8.60 4.72 0.00 2.78 2.79 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 23 G 8.18 4.36 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 24 K 7.50 4.31 0.00 2.00 1.91 0.00 1.38 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.36 7.81 25 W 7.77 4.70 0.00 3.61 3.17 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 0.00 0.00 0.00 0.00 26 R 8.52 4.52 0.00 2.05 2.08 0.00 3.40 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 27 C 8.49 4.39 0.00 3.04 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 28 C 7.97 4.54 0.00 3.00 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 29 S 8.20 4.59 0.00 4.10 4.06 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 30 Q 8.00 4.41 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.11 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 31 L 8.28 5.16 0.00 1.67 1.69 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.87 4.71 0.00 1.99 1.80 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 2.25 2.23 0.00 33 K 8.70 3.55 0.00 1.69 1.79 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.40 7.81 34 L 7.61 4.55 0.00 1.63 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.38 3.89 1.36 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 36 T 8.53 4.15 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 37 G 8.06 3.53 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 0.00 0.00 0.00 38 C 7.91 4.39 0.00 2.81 2.85 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 0.00 0.00 0.00 0.00 39 A 7.53 4.02 0.28 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 0.00 0.00 40 Q 8.58 4.44 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 41 Y 8.24 4.50 0.00 2.94 3.25 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 42 D 8.61 4.75 0.00 2.81 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 43 P 0.00 4.57 0.00 2.23 2.32 0.00 3.66 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 44 T 7.80 3.91 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 1.21 0.00 0.00 45 K 7.79 4.05 0.00 1.74 1.82 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.42 7.81 46 N 7.68 4.49 0.00 2.71 2.67 0.00 0.00 6.90 7.42 0.00 0.00 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 A 8.22 4.84 1.22 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 0.00 0.00 48 S 7.67 4.67 0.00 3.82 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 49 K 8.28 4.64 0.00 1.64 1.60 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.35 7.81 50 K 8.33 4.56 0.00 1.69 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.36 7.81 51 P 0.00 4.57 0.00 2.21 2.07 0.00 3.81 0.00 0.00 3.65 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 52 L 8.06 4.25 0.00 1.66 1.64 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.40 0.00 2.17 2.04 0.00 3.77 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 1.98 1.95 0.00 54 P 0.00 4.55 0.00 2.19 2.14 0.00 3.73 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 1.98 1.94 0.00 55 T 7.98 4.55 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 1.21 0.00 0.00 56 P 0.00 4.47 0.00 2.20 2.13 0.00 3.74 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 1.98 1.95 0.00 57 E 8.24 4.48 0.00 2.08 2.01 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 2.19 2.27 0.00 58 D 8.22 4.72 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.42 4.07 0.00 2.72 2.83 0.00 0.00 6.82 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 60 R 8.28 4.05 0.00 1.92 2.01 0.00 3.25 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 61 R 7.72 4.44 0.00 1.90 1.90 0.00 3.01 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 62 P 0.00 4.58 0.00 2.53 2.25 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.18 0.00 63 L 8.28 4.75 0.00 1.77 1.75 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 64 W 7.69 4.49 0.00 3.52 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