NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2917 8.4444 118.7963 55.7152 30.5452 175.2820 4 R 3.8660 8.5250 124.6485 54.8096 31.2143 174.5056 5 P 4.2026 0.0000 0.0000 66.1885 32.2412 178.5263 6 L 3.9581 7.8625 116.7094 57.6009 41.5290 179.2572 7 D 4.3170 8.2341 119.4064 57.2559 40.5617 178.8551 8 V 3.5583 7.6024 117.0182 65.9897 31.9242 177.5936 9 I 3.6503 7.4813 119.4203 64.5458 36.9558 177.7091 10 H 4.1064 7.8248 118.9614 59.4647 29.4814 177.1843 11 R 4.0064 7.8908 118.5120 58.6128 30.1654 177.5168 12 S 4.4918 7.8057 113.6280 57.5249 63.2222 173.8526 13 L 4.2829 7.1349 122.6506 56.4323 41.7860 177.0907 14 D 4.4978 9.4943 121.8128 54.7528 39.3735 173.5849 15 K 4.6998 7.7483 118.8512 54.2156 35.7557 174.9559 16 D 5.0474 8.4553 121.3983 54.6686 42.6384 175.3798 17 V 4.9736 8.9302 117.5370 59.7572 37.0125 173.6234 18 L 5.0276 9.1788 124.6692 53.4760 44.3273 175.2073 19 V 4.6654 9.0649 127.3041 61.3475 33.4203 174.2370 20 I 4.4480 8.7358 130.5300 60.6978 38.5990 175.6997 21 L 4.9825 8.5876 126.8182 52.3367 44.2939 177.0037 22 K 4.5765 7.7426 120.7692 55.6867 28.2798 176.4829 23 K 4.6531 8.0286 117.2588 57.5193 39.9458 177.3798 24 G 3.8691 7.4287 104.1046 45.2942 0.0000 173.9689 25 F 4.8312 8.0148 118.9041 57.1954 41.0793 174.2387 26 E 5.0795 8.7191 117.3309 55.7887 33.3779 173.7792 27 F 5.4508 9.1807 118.7852 55.7981 42.7513 174.5929 28 R 5.0438 9.0021 121.6502 54.7388 33.6702 174.5919 29 G 4.4205 8.2183 110.8132 46.2671 0.0000 171.2313 30 R 4.7920 8.1102 120.8251 55.1010 31.4186 175.5857 31 L 4.7707 9.0881 130.3585 55.1648 42.6757 176.7824 32 I 4.2399 8.2731 119.1056 60.4256 39.0982 175.2151 33 G 4.1478 7.7308 108.9528 46.5914 0.0000 171.4581 34 Y 5.3594 7.6876 117.5000 56.6996 40.6962 172.1049 35 D 4.7943 8.6555 118.4030 51.1423 42.6852 176.2077 36 I 3.6847 8.2645 118.3419 64.0833 37.8370 175.8958 37 H 4.5578 8.1433 114.8115 55.6518 28.7725 175.0612 38 L 3.7929 8.0868 118.5401 55.7240 39.5865 174.3133 39 N 4.9203 8.4041 115.8748 53.4699 39.9037 174.8302 40 V 4.9944 8.8251 114.3378 59.7429 36.8568 174.3890 41 V 4.7898 8.7768 122.7130 61.1899 34.0203 174.4718 42 L 5.4329 9.0044 126.7747 52.8671 45.6616 175.2076 43 A 4.9939 8.9599 123.0180 50.4522 22.2395 175.7825 44 D 4.6188 8.6194 118.7731 55.4259 39.1142 173.2507 45 A 5.2105 8.3671 121.2927 50.7312 22.3954 177.4261 46 E 5.2204 9.2383 116.4128 54.9931 33.7280 173.9666 47 M 4.8035 9.1501 122.2774 54.5204 34.1497 174.7766 48 I 5.1500 8.9787 126.4099 59.6469 41.5007 174.4789 49 Q 4.2075 8.7242 125.8979 54.6132 32.1651 174.4940 50 D 4.3813 9.5044 127.6115 55.4301 39.5616 173.9856 51 G 3.9305 8.2589 102.7954 45.7695 0.0000 173.1004 52 E 4.6519 7.8408 119.4908 53.9357 31.8180 175.5681 53 V 4.1898 8.3281 123.0262 63.0506 32.1128 175.7909 54 V 4.3835 8.7399 120.2011 62.1441 33.6214 175.9031 55 K 4.5065 7.6265 117.3522 55.4155 36.4995 174.8206 56 R 4.9682 7.9337 119.7821 54.7420 34.0183 174.6031 57 Y 4.7295 9.2754 118.8056 56.3682 42.1203 176.6699 58 G 3.6869 9.0508 111.0670 49.0471 0.0000 173.2210 59 K 5.2181 7.8614 119.2812 54.9132 35.5748 175.1121 60 I 4.4006 8.7922 125.7550 59.6588 41.9259 173.2717 61 V 4.5461 8.1981 128.9695 61.4875 32.8218 174.5874 62 I 4.3257 8.6753 129.2936 59.2983 39.8380 175.4520 63 R 4.4804 8.5375 126.5615 55.5919 30.7886 177.8286 64 G 3.7456 9.5957 113.0764 48.5930 0.0000 174.9773 65 D 4.2984 8.1789 118.2382 56.7231 41.1842 176.3668 66 N 4.7420 8.1109 114.5230 52.9007 39.1539 174.4192 67 V 4.2002 7.6330 119.8083 62.1784 32.4764 175.2782 68 L 4.3414 9.0816 130.3057 57.5763 42.5175 176.1374 69 A 4.6964 7.5780 117.6808 51.1506 22.9251 174.6895 70 I 4.9902 8.1822 118.9469 59.6980 40.9942 175.0892 71 S 4.7751 9.1503 121.9656 55.5992 65.0891 171.2087 72 P 4.8055 0.0000 0.0000 62.7900 32.2742 176.3500 73 T 4.2719 8.4452 112.4018 61.8424 68.4295 173.9709 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 3 E 8.44 4.29 0.00 2.08 2.06 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 2.17 2.30 0.00 4 R 8.53 3.87 0.00 1.94 1.95 0.00 3.21 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 5 P 0.00 4.20 0.00 2.17 2.10 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 6 L 7.86 3.96 0.00 1.73 1.73 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.23 4.32 0.00 2.88 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 V 7.60 3.56 2.17 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 0.83 0.00 0.00 0.91 0.00 0.00 9 I 7.48 3.65 1.34 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 1.51 0.82 0.14 0.00 0.00 10 H 7.82 4.11 0.00 3.42 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.89 4.01 0.00 1.99 2.08 0.00 3.30 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 12 S 7.81 4.49 0.00 3.99 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 13 L 7.13 4.28 0.00 1.72 1.63 1.00 1.17 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 14 D 9.49 4.50 0.00 2.77 2.80 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 15 K 7.75 4.70 0.00 1.88 1.69 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.53 7.81 16 D 8.46 5.05 0.00 2.82 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.93 4.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.95 0.00 0.00 18 L 9.18 5.03 0.00 1.72 1.68 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.06 4.67 2.28 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 1.09 0.00 0.00 0.98 0.00 0.00 20 I 8.74 4.45 1.98 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 1.25 0.45 0.93 0.00 0.00 21 L 8.59 4.98 0.00 1.80 1.64 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.74 4.58 0.00 1.66 1.82 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.68 7.81 23 K 8.03 4.65 0.00 1.96 2.12 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.52 7.81 24 G 7.43 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.01 4.83 0.00 2.94 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.72 5.08 0.00 2.17 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 0.00 2.36 2.29 0.00 27 F 9.18 5.45 0.00 3.06 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.00 5.04 0.00 1.91 1.78 0.00 3.19 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 29 G 8.22 4.42 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 30 R 8.11 4.79 0.00 1.94 1.97 0.00 3.10 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 31 L 9.09 4.77 0.00 1.80 1.71 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.27 4.24 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 1.28 0.84 0.92 0.00 0.00 33 G 7.73 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 34 Y 7.69 5.36 0.00 3.03 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.79 0.00 2.87 2.73 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 36 I 8.26 3.68 1.83 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 1.43 1.07 0.66 0.00 0.00 37 H 8.14 4.56 0.00 3.34 3.33 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.09 3.79 0.00 1.84 1.82 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.40 4.92 0.00 2.98 2.73 0.00 0.00 6.79 7.07 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 40 V 8.83 4.99 2.11 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 0.82 0.00 0.00 0.91 0.00 0.00 41 V 8.78 4.79 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 0.98 0.00 0.00 0.90 0.00 0.00 42 L 9.00 5.43 0.00 1.50 1.50 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.96 4.99 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 44 D 8.62 4.62 0.00 2.77 2.73 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 45 A 8.37 5.21 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 46 E 9.24 5.22 0.00 2.05 2.06 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 2.48 2.31 0.00 47 M 9.15 4.80 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.38 0.00 48 I 8.98 5.15 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.75 0.99 0.00 0.00 49 Q 8.72 4.21 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.29 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 50 D 9.50 4.38 0.00 2.67 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 51 G 8.26 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 52 E 7.84 4.65 0.00 2.12 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 2.21 2.38 0.00 53 V 8.33 4.19 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 0.83 0.00 0.00 1.00 0.00 0.00 54 V 8.74 4.38 2.13 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 0.88 0.00 0.00 1.05 0.00 0.00 55 K 7.63 4.51 0.00 1.62 1.25 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.45 7.81 56 R 7.93 4.97 0.00 1.50 1.70 0.00 3.12 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 57 Y 9.28 4.73 0.00 2.88 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 58 G 9.05 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 0.00 0.00 0.00 59 K 7.86 5.22 0.00 1.74 1.63 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.55 7.81 60 I 8.79 4.40 1.51 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.87 0.55 0.00 0.00 61 V 8.20 4.55 1.99 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 0.80 0.00 0.00 0.87 0.00 0.00 62 I 8.68 4.33 1.73 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.09 0.88 0.00 0.00 63 R 8.54 4.48 0.00 1.86 1.85 0.00 3.12 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 64 G 9.60 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 0.00 0.00 0.00 65 D 8.18 4.30 0.00 2.63 2.73 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 66 N 8.11 4.74 0.00 2.87 2.86 0.00 0.00 6.46 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.63 4.20 2.24 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 0.85 0.00 0.00 1.03 0.00 0.00 68 L 9.08 4.34 0.00 1.66 1.85 0.93 0.97 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 69 A 7.58 4.70 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 70 I 8.18 4.99 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 1.25 0.72 0.95 0.00 0.00 71 S 9.15 4.78 0.00 3.84 3.68 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 0.00 0.00 0.00 0.00 72 P 0.00 4.81 0.00 2.11 2.02 0.00 3.76 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 1.98 1.95 0.00 73 T 8.45 4.27 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