NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.2116 7.9133 120.4654 61.7620 33.4864 174.0057 3 D 5.4199 8.5823 122.1743 52.7068 43.9992 173.5071 4 Y 5.1347 9.2839 118.3200 56.2827 42.8098 173.9429 5 I 4.8495 8.7001 122.5521 59.2508 40.8021 174.6118 6 V 4.2816 8.8879 130.0054 62.9295 31.9045 176.0114 7 E 4.2943 9.2756 127.1066 56.8959 31.4819 176.0487 8 Y 4.8737 7.8228 115.3962 55.7644 41.7700 175.1986 9 D 4.8598 9.1817 123.4019 55.3249 41.9276 175.3740 10 Y 4.7925 8.8934 122.4353 56.1229 42.5403 173.1603 11 D 5.0095 7.6747 125.4857 51.8687 42.8720 176.2999 12 A 4.2555 8.2707 126.5514 52.8377 18.8639 177.6558 13 V 4.2651 9.0778 113.6719 61.3262 33.9074 175.6171 14 H 5.0610 7.7583 115.6725 53.6796 32.4362 173.8061 15 D 4.5887 8.7763 120.3093 56.1327 40.8904 176.8762 16 D 4.7439 7.9684 118.0925 53.1266 40.3336 175.7238 17 E 5.1492 7.9086 119.6328 55.8177 31.2859 175.4189 18 L 4.7221 9.0957 121.8153 53.9420 43.5202 176.5690 19 T 4.7267 8.4925 119.9283 62.6585 69.5277 174.1914 20 I 4.8910 8.8421 119.8586 59.1281 41.4636 174.6589 21 R 5.1116 8.7740 121.4925 54.0164 34.3838 174.9539 22 V 3.6308 8.9614 121.9697 64.8520 31.7015 175.8869 23 G 4.0526 9.2824 116.3944 45.2659 0.0000 173.6846 24 E 4.1842 8.2668 119.5171 56.4786 30.7491 175.9873 25 I 4.8308 8.2289 123.5730 59.9282 39.1531 174.9277 26 I 4.4803 8.8949 128.2852 59.8509 39.0323 175.1149 27 R 4.7773 8.9540 126.5445 55.0288 32.1383 175.6730 28 N 4.1050 8.5161 118.6124 54.5955 37.3932 174.5282 29 V 4.5223 8.6026 118.3614 62.0391 33.1347 175.9969 30 K 4.7254 9.2182 127.4066 54.2682 35.2411 175.3540 31 K 4.3184 8.6870 125.7017 56.3308 32.9432 175.9688 32 L 4.6840 7.8286 126.1404 52.9738 44.0839 177.0094 33 Q 3.9784 8.6959 118.7291 59.1277 28.8033 176.6250 34 E 3.8876 8.2145 119.3031 56.4162 29.4031 176.0383 35 E 4.0241 8.6395 125.6413 57.3689 30.4275 177.0163 36 G 3.8958 9.2485 113.8912 44.7085 0.0000 172.2401 37 W 4.9121 7.8110 119.2952 54.6679 32.8009 174.5762 38 L 4.6938 8.1636 121.3969 52.8594 46.1558 174.9874 39 E 5.0416 8.7838 120.9235 54.8969 33.1614 174.8713 40 G 4.3854 9.0290 112.0963 45.9930 0.0000 170.5933 41 E 5.3071 9.1313 121.0095 54.2268 32.3317 174.8733 42 L 4.7268 8.8303 128.5960 53.4061 45.2610 175.8608 43 N 4.4220 9.9216 126.2298 54.6944 37.2654 174.4352 44 G 4.0642 8.3675 105.6949 45.0222 0.0000 173.3310 45 R 4.5881 7.5963 119.8140 54.8892 32.0563 175.2362 46 R 5.0921 8.4354 124.6881 55.2585 32.2350 175.7262 47 G 4.2714 8.7066 109.2675 46.2799 0.0000 171.5117 48 M 5.9339 9.2785 117.4470 53.3812 34.0936 175.2080 49 F 5.3622 7.8633 113.8046 54.7983 41.6771 171.7244 50 P 3.3724 0.0000 0.0000 62.0042 31.9639 177.1947 51 D 4.2895 8.6338 122.0523 55.4885 39.5578 177.1743 52 N 4.7994 8.0291 115.9003 52.9019 37.6455 175.2945 53 F 4.6870 8.2345 117.5391 58.1366 39.6662 175.2748 54 V 5.2545 7.5060 111.8278 59.6208 36.1918 174.6916 55 K 4.6790 9.0188 122.2170 54.4427 35.6112 174.9802 56 E 3.0234 8.5412 128.4953 55.8741 30.1142 176.1255 57 I 3.9548 7.9808 128.7017 61.0046 37.9669 176.4529 58 K 4.1147 8.3159 125.1214 56.6420 32.9700 176.0633 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 2 V 7.91 4.21 2.14 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 1.02 0.00 0.00 0.96 0.00 0.00 3 D 8.58 5.42 0.00 2.79 2.65 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 4 Y 9.28 5.13 0.00 2.87 2.93 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 5 I 8.70 4.85 1.87 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 1.11 1.45 0.95 0.00 0.00 6 V 8.89 4.28 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 0.99 0.00 0.00 0.96 0.00 0.00 7 E 9.28 4.29 0.00 1.61 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 8 Y 7.82 4.87 0.00 2.69 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 9 D 9.18 4.86 0.00 2.71 2.72 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 10 Y 8.89 4.79 0.00 2.45 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.67 5.01 0.00 2.31 2.37 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 12 A 8.27 4.26 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 9.08 4.27 1.96 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 0.75 0.00 0.00 0.84 0.00 0.00 14 H 7.76 5.06 0.00 3.28 3.08 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.78 4.59 0.00 2.67 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 16 D 7.97 4.74 0.00 2.82 2.87 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 17 E 7.91 5.15 0.00 2.18 2.35 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 0.00 2.28 2.29 0.00 18 L 9.10 4.72 0.00 1.62 1.64 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.49 4.73 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 1.27 0.00 0.00 20 I 8.84 4.89 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 0.78 0.00 0.00 21 R 8.77 5.11 0.00 1.72 1.81 0.00 3.35 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 22 V 8.96 3.63 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 0.67 0.00 0.00 0.97 0.00 0.00 23 G 9.28 4.05 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 0.00 0.00 0.00 24 E 8.27 4.18 0.00 2.02 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 2.32 2.39 0.00 25 I 8.23 4.83 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 1.34 0.82 0.99 0.00 0.00 26 I 8.89 4.48 1.72 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.56 0.76 0.00 0.00 27 R 8.95 4.78 0.00 1.78 1.86 0.00 3.37 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 28 N 8.52 4.11 0.00 2.90 2.89 0.00 0.00 7.05 7.44 0.00 0.00 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 V 8.60 4.52 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 1.27 0.00 0.00 30 K 9.22 4.73 0.00 1.67 1.65 0.00 1.93 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.37 7.81 31 K 8.69 4.32 0.00 1.76 1.71 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.51 7.81 32 L 7.83 4.68 0.00 1.57 1.55 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.70 3.98 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 34 E 8.21 3.89 0.00 2.02 1.90 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 2.34 2.21 0.00 35 E 8.64 4.02 0.00 1.96 1.90 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 2.31 2.32 0.00 36 G 9.25 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 37 W 7.81 4.91 0.00 3.30 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.69 0.00 0.27 0.78 0.28 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.78 5.04 0.00 1.94 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 2.40 2.25 0.00 40 G 9.03 4.39 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 0.00 41 E 9.13 5.31 0.00 2.05 1.94 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 2.21 2.23 0.00 42 L 8.83 4.73 0.00 1.61 1.41 0.92 0.47 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 43 N 9.92 4.42 0.00 2.84 2.80 0.00 0.00 7.34 7.98 0.00 0.00 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 G 8.37 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 0.00 0.00 0.00 45 R 7.60 4.59 0.00 1.95 1.80 0.00 3.10 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 46 R 8.44 5.09 0.00 1.76 1.88 0.00 3.33 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 47 G 8.71 4.27 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 0.00 48 M 9.28 5.93 0.00 2.06 2.35 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 49 F 7.86 5.36 0.00 3.00 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 50 P 0.00 3.37 0.00 1.83 0.80 0.00 2.76 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 51 D 8.63 4.29 0.00 2.83 2.75 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 52 N 8.03 4.80 0.00 2.76 2.91 0.00 0.00 6.00 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 53 F 8.23 4.69 0.00 3.21 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 54 V 7.51 5.25 2.44 0.00 0.00 0.00 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 1.30 0.00 0.00 55 K 9.02 4.68 0.00 1.98 1.59 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.33 7.81 56 E 8.54 3.02 0.00 1.35 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.69 0.00 57 I 7.98 3.95 1.90 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 1.19 0.58 0.87 0.00 0.00 58 K 8.32 4.11 0.00 1.63 1.60 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.30 7.81