NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1958 7.9133 114.0200 61.4220 33.5955 174.0168 3 D 5.3042 8.6411 124.8564 52.7003 43.5066 173.6007 4 Y 5.0367 9.3856 119.2796 56.2889 42.2450 174.1240 5 I 4.6830 8.5024 122.7124 59.6416 40.4142 174.6514 6 V 4.2822 8.6218 129.5872 62.7896 31.9859 175.9584 7 E 4.3816 9.2643 126.7705 56.5792 31.4786 175.8695 8 Y 4.9373 7.7439 115.5174 55.8441 42.1247 174.9009 9 D 4.8033 9.2064 123.3030 55.1328 41.6834 175.2004 10 Y 4.6389 8.9565 123.7837 55.7334 42.2757 173.5201 11 D 4.9592 7.1528 124.9412 51.8353 43.2302 176.0233 12 A 4.2196 8.2298 127.0737 52.4369 18.8510 177.3225 13 V 4.1228 9.2246 122.0947 63.1854 32.8703 175.4703 14 H 5.0066 7.9232 115.5424 53.7011 32.2313 173.9968 15 D 4.3700 8.8878 121.9001 57.2100 40.9158 177.2292 16 D 4.7926 8.1117 116.8277 53.1559 39.7098 175.3596 17 E 5.2590 8.0263 119.0554 55.6541 31.5651 175.2505 18 L 4.7574 9.2139 122.1843 53.8022 43.5662 176.4688 19 T 4.6596 8.4942 120.1332 62.7300 69.4369 174.1928 20 I 4.8678 8.9695 119.9660 59.1068 41.4535 174.5963 21 R 5.1536 9.2704 121.9610 53.9151 34.1128 175.1284 22 V 3.6386 8.9206 122.1920 64.9508 31.7847 176.1069 23 G 4.0344 8.8227 115.7844 45.2554 0.0000 173.6821 24 E 4.2019 8.1859 119.5204 56.4120 30.8300 175.9847 25 I 4.6764 8.2150 123.5866 60.1732 38.8699 175.0096 26 I 4.5611 9.2007 129.1535 59.7718 38.8709 175.0319 27 R 4.9194 9.0276 124.4517 54.8346 31.7886 175.5752 28 N 4.1294 8.6292 118.0012 54.8346 37.5907 174.4891 29 V 4.3350 8.1945 118.1135 62.8532 33.0953 176.2053 30 K 4.7794 9.1567 126.6407 54.1279 35.5608 175.8286 31 K 4.4061 8.7587 123.3219 56.7294 32.6105 176.4244 32 L 4.6556 7.7133 123.2896 53.0427 43.6304 176.9856 33 Q 4.0360 8.7229 120.0019 58.9040 28.9062 177.5231 34 E 3.8266 8.1315 117.1423 56.5578 29.8556 175.8474 35 E 4.0682 8.7735 127.0841 57.1638 30.5623 176.4600 36 G 4.1749 9.0694 112.9857 45.4977 0.0000 172.2352 37 W 5.0847 7.8436 118.2732 54.4711 33.0674 174.3744 38 L 4.9239 8.6310 122.3380 52.6760 45.4464 174.8805 39 E 5.0168 8.3935 121.6170 54.7156 32.7606 175.1869 40 G 4.4901 9.1028 112.2878 45.9260 0.0000 170.7182 41 E 5.3833 9.2112 120.9677 54.2079 32.2577 174.6935 42 L 4.7640 8.8740 128.5355 53.7051 45.6158 175.7013 43 N 3.8682 9.7948 125.3239 54.8087 37.1948 174.4866 44 G 3.9325 8.2742 102.0740 45.6657 0.0000 172.7661 45 R 4.6787 7.7699 120.3932 54.3479 32.8329 174.6222 46 R 5.0655 8.5228 124.8183 55.3146 32.1241 175.5727 47 G 4.1536 8.7195 108.5940 46.2652 0.0000 172.0900 48 M 5.2610 8.7612 120.0331 54.7463 34.1139 175.8228 49 F 4.9226 8.1219 113.2497 55.8490 41.8774 171.7298 50 P 3.8604 0.0000 0.0000 61.5639 31.5043 177.5407 51 D 4.3813 8.3836 121.8879 55.9874 39.4303 177.5270 52 N 4.6730 8.0433 115.0792 53.5874 37.7000 175.0659 53 F 4.7737 8.3002 117.1489 57.9778 40.4640 175.2802 54 V 5.1457 7.7414 110.3273 59.7649 36.3814 174.7334 55 K 4.6774 9.1435 122.0791 54.7529 35.5302 174.9153 56 E 2.6824 8.7713 128.7109 56.1714 30.2272 176.0110 57 I 4.0254 7.9284 128.3117 60.5537 37.8319 176.3325 58 K 4.1147 8.4046 125.8561 56.4701 32.5927 176.1207 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 4.20 2.20 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 0.75 0.00 0.00 1.11 0.00 0.00 3 D 8.64 5.30 0.00 2.69 2.68 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 4 Y 9.39 5.04 0.00 2.83 2.90 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 5 I 8.50 4.68 1.86 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 1.09 1.40 0.89 0.00 0.00 6 V 8.62 4.28 2.25 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 0.97 0.00 0.00 0.87 0.00 0.00 7 E 9.26 4.38 0.00 1.51 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 2.13 2.21 0.00 8 Y 7.74 4.94 0.00 2.80 2.86 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 9 D 9.21 4.80 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.96 4.64 0.00 2.33 2.61 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 0.00 0.00 0.00 0.00 11 D 7.15 4.96 0.00 2.28 2.33 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 12 A 8.23 4.22 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 9.22 4.12 2.18 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 0.78 0.00 0.00 0.93 0.00 0.00 14 H 7.92 5.01 0.00 3.30 3.11 0.00 5.68 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.89 4.37 0.00 2.68 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 16 D 8.11 4.79 0.00 2.85 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 8.03 5.26 0.00 2.10 2.42 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 2.34 2.59 0.00 18 L 9.21 4.76 0.00 1.64 1.63 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.49 4.66 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 1.24 0.00 0.00 20 I 8.97 4.87 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.85 0.73 0.00 0.00 21 R 9.27 5.15 0.00 1.81 1.81 0.00 3.50 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 1.53 1.68 0.00 22 V 8.92 3.64 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 1.06 0.00 0.00 23 G 8.82 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.19 4.20 0.00 1.99 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 25 I 8.22 4.68 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 1.34 0.80 0.98 0.00 0.00 26 I 9.20 4.56 1.84 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.58 0.87 0.00 0.00 27 R 9.03 4.92 0.00 1.90 2.07 0.00 2.94 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 1.83 1.59 0.00 28 N 8.63 4.13 0.00 2.90 2.91 0.00 0.00 7.12 7.24 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 29 V 8.19 4.33 2.36 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 0.57 0.00 0.00 1.13 0.00 0.00 30 K 9.16 4.78 0.00 1.65 1.65 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.58 7.81 31 K 8.76 4.41 0.00 1.64 1.74 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.44 7.81 32 L 7.71 4.66 0.00 1.82 1.53 0.90 0.85 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 33 Q 8.72 4.04 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 34 E 8.13 3.83 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.32 0.00 35 E 8.77 4.07 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 36 G 9.07 4.17 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 0.00 0.00 0.00 37 W 7.84 5.08 0.00 3.13 2.96 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 38 L 8.63 4.92 0.00 0.37 0.83 0.48 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.39 5.02 0.00 1.95 1.73 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 2.22 2.22 0.00 40 G 9.10 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 9.21 5.38 0.00 2.13 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 42 L 8.87 4.76 0.00 1.67 1.41 0.90 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.79 3.87 0.00 2.83 2.80 0.00 0.00 7.20 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 8.27 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 45 R 7.77 4.68 0.00 1.90 1.94 0.00 3.10 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 46 R 8.52 5.07 0.00 1.76 1.87 0.00 3.32 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 8.72 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 48 M 8.76 5.26 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 49 F 8.12 4.92 0.00 2.87 3.07 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 0.00 0.00 0.00 0.00 50 P 0.00 3.86 0.00 2.02 0.89 0.00 2.52 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.44 0.00 51 D 8.38 4.38 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.67 0.00 2.68 2.88 0.00 0.00 5.96 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 8.30 4.77 0.00 3.23 3.27 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 54 V 7.74 5.15 2.36 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 0.67 0.00 0.00 1.23 0.00 0.00 55 K 9.14 4.68 0.00 1.93 1.61 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.36 7.81 56 E 8.77 2.68 0.00 1.37 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.81 0.00 57 I 7.93 4.03 1.96 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 1.18 0.58 0.87 0.00 0.00 58 K 8.40 4.11 0.00 1.63 1.62 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.36 7.81