NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3106 8.2493 123.5815 51.6045 19.8648 175.8933 2 K 3.7420 8.6638 113.8626 56.0818 32.3977 175.2879 3 T 4.4661 9.2359 112.2771 62.3828 70.1152 171.7550 4 I 3.6630 7.7585 130.8173 60.3480 37.0627 172.4535 5 K 4.7812 8.9045 125.2590 54.8243 34.0828 175.7020 6 I 5.0356 8.5930 125.5931 59.1580 40.6549 174.7853 7 T 4.8688 8.0016 119.1605 61.9529 72.6540 174.9973 8 Q 3.9795 8.7334 123.8035 57.1201 29.0246 175.5321 9 T 3.5395 7.1117 115.1122 63.3592 67.6026 172.6735 10 R 4.5855 7.2769 118.6831 54.0742 33.1367 175.7636 11 S 4.3469 8.3251 113.1192 58.2543 63.5562 173.3663 12 A 4.8276 8.1541 124.3406 51.1412 18.5093 175.7929 13 I 4.1145 7.5334 125.5886 62.8019 38.5475 178.3357 14 G 3.9255 7.8515 106.1196 45.5826 0.0000 174.0692 15 R 4.1732 7.7950 118.8018 55.8488 30.7946 176.4759 16 L 4.1478 8.4095 120.2080 54.4401 42.1662 176.7923 17 P 4.2637 0.0000 0.0000 65.7084 31.4579 177.7970 18 K 4.9912 7.7448 117.8569 57.4328 32.2852 176.3791 19 H 4.9740 7.9459 112.9519 55.5933 31.2647 176.3601 20 K 3.8336 8.1019 117.1561 58.1513 31.8079 178.8776 21 A 4.0886 7.6246 121.9932 54.9375 18.7721 179.5466 22 T 3.8089 7.7452 107.7755 64.9581 68.8280 176.0443 23 L 3.9780 8.8018 123.3090 57.4097 41.6692 179.1228 24 L 4.0279 7.6832 119.6346 58.4389 41.7724 179.1747 25 G 3.8571 7.9417 103.8742 47.5576 0.0000 174.6022 26 L 4.4066 7.8899 118.8282 53.4527 43.5597 176.1478 27 G 3.7221 8.1099 107.6910 46.1827 0.0000 173.5162 28 L 4.7923 7.5284 116.5665 53.1053 44.5339 176.2923 29 R 3.8027 8.7975 125.6031 57.8247 29.3428 178.5250 30 R 4.1019 8.5401 120.1977 56.7117 31.7692 177.4349 31 I 3.9707 8.3060 110.1452 61.8288 37.1962 177.8587 32 G 4.2124 7.9818 108.5063 46.0224 0.0000 174.4075 33 H 4.0354 8.5960 120.2310 59.0672 29.7575 171.2101 34 T 4.1221 8.3451 123.2952 62.8570 68.0078 171.5837 35 V 4.4941 7.6946 124.2249 59.9558 35.3457 174.2708 36 E 4.7618 8.4657 122.6697 55.9574 31.5166 175.0801 37 R 4.4013 7.7326 119.1141 56.0194 35.2330 172.9596 38 E 4.7335 8.7800 120.8488 56.2160 28.1373 176.5511 39 D 4.4749 8.3908 125.5855 56.0902 43.3906 175.3281 40 T 3.9664 7.7789 115.6065 63.0735 69.1085 173.2778 41 P 4.2381 0.0000 0.0000 65.7590 31.1336 178.5182 42 A 3.9901 7.9615 119.3773 55.1262 17.2825 179.0263 43 I 3.9498 7.7819 109.3185 62.2863 36.2698 177.0179 44 R 4.2916 7.8989 120.2057 57.2866 30.3232 177.7460 45 G 3.9420 8.0182 105.5030 47.5144 0.0000 175.8160 46 M 4.0355 7.9169 120.4683 58.5009 31.9666 178.4624 47 I 3.6510 7.1593 119.9087 64.7048 37.0023 177.9608 48 N 4.3160 7.4159 115.9807 56.5205 38.9079 176.4803 49 A 4.2482 8.0006 121.4266 54.3263 19.0923 177.7782 50 V 4.1922 7.7241 110.6599 60.4525 32.9786 177.9552 51 S 4.3714 8.5299 116.1849 60.7911 63.0664 176.1323 52 F 4.4491 8.3162 113.5879 58.5209 37.5780 175.1975 53 M 4.5167 7.5882 121.3260 54.8447 33.2111 175.3362 54 V 5.1903 7.4833 110.8598 60.4447 36.6397 174.1053 55 K 4.4327 8.2874 122.3268 54.9630 35.1238 174.9751 56 V 4.1909 8.4918 128.0183 62.3206 32.8302 174.9693 57 E 4.5686 9.0923 127.5795 54.4183 31.8424 176.2447 58 E 4.1237 8.6787 123.2922 56.5511 29.6522 177.1493 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 8.25 4.31 1.28 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 2 K 8.66 3.74 0.00 1.95 1.86 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.61 7.81 3 T 9.24 4.47 4.28 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 1.27 0.00 0.00 4 I 7.76 3.66 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.73 0.90 0.00 0.00 5 K 8.90 4.78 0.00 1.64 1.69 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.38 7.81 6 I 8.59 5.04 1.82 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 1.21 1.55 0.86 0.00 0.00 7 T 8.00 4.87 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 1.22 0.00 0.00 8 Q 8.73 3.98 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.12 0.00 0.00 0.00 0.00 0.00 2.60 2.28 0.00 9 T 7.11 3.54 4.21 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 0.00 0.00 0.00 1.21 0.00 0.00 10 R 7.28 4.59 0.00 1.78 1.88 0.00 3.45 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 11 S 8.33 4.35 0.00 3.84 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.83 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 13 I 7.53 4.11 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.65 0.92 0.00 0.00 14 G 7.85 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 4.17 0.00 1.90 2.11 0.00 3.40 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.09 0.00 16 L 8.41 4.15 0.00 1.42 1.52 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.26 0.00 2.17 2.10 0.00 3.57 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 2.11 2.08 0.00 18 K 7.74 4.99 0.00 1.72 1.79 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 19 H 7.95 4.97 0.00 3.50 3.27 0.00 5.88 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 20 K 8.10 3.83 0.00 1.82 1.87 0.00 1.67 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.72 7.81 21 A 7.62 4.09 1.37 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 0.00 0.00 22 T 7.75 3.81 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 1.32 0.00 0.00 23 L 8.80 3.98 0.00 1.66 1.76 0.84 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.68 4.03 0.00 1.87 1.85 0.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.94 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 0.00 0.00 0.00 26 L 7.89 4.41 0.00 1.74 1.69 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.11 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 0.00 0.00 0.00 28 L 7.53 4.79 0.00 1.61 1.79 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.80 3.80 0.00 1.59 1.65 0.00 3.25 0.00 0.00 3.12 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 30 R 8.54 4.10 0.00 1.89 1.85 0.00 3.14 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 31 I 8.31 3.97 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 1.35 0.82 0.91 0.00 0.00 32 G 7.98 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.60 4.04 0.00 3.20 3.34 0.00 6.04 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.35 4.12 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 1.23 0.00 0.00 35 V 7.69 4.49 1.85 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 0.81 0.00 0.00 0.86 0.00 0.00 36 E 8.47 4.76 0.00 1.98 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 2.23 2.28 0.00 37 R 7.73 4.40 0.00 1.92 1.71 0.00 3.15 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 38 E 8.78 4.73 0.00 1.98 1.43 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 2.24 2.27 0.00 39 D 8.39 4.47 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 3.97 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 41 P 0.00 4.24 0.00 2.15 2.14 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 42 A 7.96 3.99 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.78 3.95 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.79 0.95 0.00 0.00 44 R 7.90 4.29 0.00 2.00 2.03 0.00 3.12 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 45 G 8.02 3.94 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 0.00 0.00 0.00 46 M 7.92 4.04 0.00 2.05 2.11 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 2.93 2.64 0.00 47 I 7.16 3.65 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.90 0.88 0.00 0.00 48 N 7.42 4.32 0.00 2.78 3.00 0.00 0.00 7.18 7.84 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 49 A 8.00 4.25 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.72 4.19 1.59 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 0.48 0.00 0.00 0.86 0.00 0.00 51 S 8.53 4.37 0.00 4.03 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.32 4.45 0.00 3.21 3.21 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 0.00 0.00 0.00 0.00 53 M 7.59 4.52 0.00 1.56 1.33 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.23 0.00 54 V 7.48 5.19 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 0.65 0.00 0.00 0.97 0.00 0.00 55 K 8.29 4.43 0.00 1.75 1.58 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 56 V 8.49 4.19 2.07 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 0.96 0.00 0.00 0.91 0.00 0.00 57 E 9.09 4.57 0.00 2.08 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 58 E 8.68 4.12 0.00 1.93 1.85 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 2.31 2.35 0.00