NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3247 8.2493 123.5821 51.9719 20.1855 176.4569 2 L 4.3221 7.9972 119.7681 54.4643 42.6595 172.7605 3 N 5.1060 8.2281 115.6598 51.9610 42.9596 176.2605 4 R 5.1533 8.5532 115.0877 53.3093 28.0246 174.9012 5 G 3.5335 7.9632 120.1292 46.2443 0.0000 170.4117 6 D 4.9949 8.3744 121.3020 59.0473 40.5982 178.6189 7 K 5.5635 6.4362 118.5465 57.0175 32.1519 175.4231 8 V 4.2924 8.0671 119.1768 60.2118 34.0720 175.4135 9 R 4.3322 8.8365 124.7822 54.7365 31.2708 175.0096 10 I 3.7724 8.1653 128.6347 61.4172 37.9895 176.8430 11 K 4.6613 8.8126 129.9900 55.7858 30.6197 176.7371 12 R 4.0558 8.4238 122.0191 56.4984 31.2416 175.3109 13 T 2.0000 7.3516 118.7357 63.5748 65.4465 173.6692 14 E 4.1637 7.4621 122.5376 54.1280 27.6705 175.7123 15 S 4.2239 7.0657 112.8689 57.7680 65.4289 174.3495 16 Y 4.4096 7.6536 123.7926 57.7974 39.0562 175.6382 17 W 4.8168 7.4900 118.2246 57.1356 29.9014 174.3016 18 Y 4.4757 8.1647 120.3958 60.3168 37.8497 175.4357 19 G 3.7040 8.8471 115.9111 45.1734 0.0000 171.3910 20 D 5.1068 8.0147 118.7801 52.3124 44.3624 175.2683 21 V 4.8160 7.8981 121.1666 60.3235 34.6318 173.9933 22 G 4.0349 8.0452 106.3651 46.7435 0.0000 172.3674 23 T 4.6190 7.7725 116.8472 62.2182 69.9194 175.9657 24 V 4.6980 8.2920 127.3868 61.0338 29.9011 175.9164 25 A 4.2646 8.0373 135.0000 52.4908 17.8510 178.7278 26 S 4.3130 8.2635 117.0699 61.6558 63.4550 175.4039 27 V 4.0249 7.5217 113.2778 61.9087 31.5786 176.6231 28 E 4.5279 8.2508 116.2110 57.1877 31.3733 177.4710 29 K 4.3167 7.8179 118.1934 56.5105 34.5915 176.2337 30 S 4.4600 8.4861 113.9912 58.5368 62.9321 174.5635 31 G 4.0388 7.5025 105.5321 45.1297 0.0000 173.0758 32 I 4.6086 6.9937 119.9147 60.0151 40.6420 175.3880 33 L 4.0895 8.9394 122.2469 58.5535 42.2075 177.8818 34 Y 4.4975 7.8496 114.8773 55.5387 40.1066 173.7217 35 P 4.2990 0.0000 0.0000 65.2293 32.1935 176.5224 36 V 4.3568 7.7640 124.9620 59.7497 32.8737 174.1822 37 I 4.6485 8.3128 129.9903 60.9061 38.4520 175.5097 38 V 4.8222 8.9365 126.3765 60.7099 35.6093 174.3753 39 R 4.2872 7.8910 123.9701 55.2512 31.4295 175.2269 40 F 4.5695 8.1817 122.4020 55.9406 41.9814 174.8384 41 D 4.6552 9.1130 123.0640 55.8100 41.4731 177.0947 42 R 4.8959 7.9209 118.1405 54.7938 29.6070 175.2971 43 V 4.3513 7.6347 110.6069 60.4196 32.4240 176.6055 44 N 4.0988 8.1089 115.0168 53.6934 35.0571 175.2079 45 Y 4.5513 7.2768 121.4553 58.8054 38.2634 177.8854 46 N 4.8442 7.9997 118.2286 50.8998 37.4788 175.8464 47 G 3.9327 8.2946 110.1072 47.9138 0.0000 171.5051 48 F 4.6803 8.2165 118.8018 58.0581 40.1803 175.3120 49 S 4.4680 8.3624 113.2800 59.8961 64.4159 174.1163 50 G 3.7786 7.8515 102.9610 44.9888 0.0000 173.2607 51 S 4.4234 8.5656 112.7911 58.0783 65.8507 173.8184 52 A 4.8890 8.6365 123.2656 52.4128 19.5437 177.0170 53 S 4.8962 7.7025 109.7882 57.3938 64.5943 175.1008 54 G 3.5432 8.9500 110.9456 46.5895 0.0000 177.3509 55 V 4.2513 8.8270 122.4389 60.0538 31.1354 174.9968 56 N 4.7558 8.4861 127.3240 55.7364 40.8457 173.8871 57 T 5.2595 7.7838 108.8681 59.3318 70.3673 173.8863 58 N 5.0072 8.5900 124.3349 51.9057 42.9387 172.3190 59 N 5.0680 8.7939 124.8739 53.2110 39.9135 174.1922 60 F 4.8834 10.0145 125.7054 55.9826 42.8496 174.9550 61 A 4.7802 9.1921 122.9934 51.7088 18.9207 178.7364 62 E 3.7756 8.0795 122.6671 59.8305 30.2616 179.8858 63 N 4.3817 8.3321 116.0359 55.1286 37.4786 175.2936 64 E 4.6558 8.6412 115.8298 55.5499 29.9048 174.7319 65 L 5.0780 7.7719 118.7099 52.7314 45.0847 175.5831 66 E 4.6915 8.6109 123.4683 53.9201 32.2109 175.3850 67 L 4.1439 8.5854 125.7369 56.1224 42.1543 176.4198 68 V 4.2301 8.2407 122.0753 63.6696 34.8153 175.2896 69 Q 4.4141 7.8768 121.5944 54.0520 30.4321 176.2379 70 A 4.4139 8.4116 132.0948 51.9855 17.7654 178.2004 71 A 4.2329 7.2201 124.0569 51.0310 17.9440 178.6516 72 A 4.4857 7.5162 124.0607 50.2395 20.2948 177.9348 73 K 4.1806 8.5410 121.3613 56.9663 32.3454 176.8270 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 4.32 1.27 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 2 L 8.00 4.32 0.00 1.92 1.72 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.23 5.11 0.00 2.76 2.75 0.00 0.00 6.98 7.65 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 4 R 8.55 5.15 0.00 2.02 1.96 0.00 2.65 0.00 0.00 3.88 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 5 G 7.96 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 6 D 8.37 4.99 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.44 5.56 0.00 1.97 1.95 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.31 7.81 8 V 8.07 4.29 2.00 0.00 0.00 0.00 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 0.82 0.00 0.00 9 R 8.84 4.33 0.00 1.80 1.79 0.00 3.08 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 10 I 8.17 3.77 2.29 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 1.66 -0.30 1.29 0.00 0.00 11 K 8.81 4.66 0.00 1.71 1.84 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.48 7.81 12 R 8.42 4.06 0.00 2.06 1.96 0.00 3.40 0.00 0.00 3.41 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 13 T 7.35 2.00 3.95 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 0.87 0.00 0.00 14 E 7.46 4.16 0.00 1.87 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 2.21 2.18 0.00 15 S 7.07 4.22 0.00 3.74 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 16 Y 7.65 4.41 0.00 2.47 2.10 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.49 4.82 0.00 3.51 3.09 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 0.00 0.00 0.00 0.00 18 Y 8.16 4.48 0.00 2.78 2.94 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 19 G 8.85 3.70 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 0.00 0.00 0.00 20 D 8.01 5.11 0.00 2.94 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 4.82 2.05 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 0.80 0.00 0.00 0.91 0.00 0.00 22 G 8.05 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 23 T 7.77 4.62 4.11 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 0.00 0.00 0.00 1.15 0.00 0.00 24 V 8.29 4.70 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.98 0.00 0.00 25 A 8.04 4.26 1.24 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 0.00 0.00 0.00 26 S 8.26 4.31 0.00 3.98 3.79 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 27 V 7.52 4.02 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 0.88 0.00 0.00 0.95 0.00 0.00 28 E 8.25 4.53 0.00 2.12 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 0.00 2.18 2.31 0.00 29 K 7.82 4.32 0.00 1.94 2.07 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.40 1.40 7.81 30 S 8.49 4.46 0.00 3.87 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.50 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 6.99 4.61 1.93 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 1.33 0.64 0.94 0.00 0.00 33 L 8.94 4.09 0.00 1.64 1.81 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.85 4.50 0.00 2.96 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 35 P 0.00 4.30 0.00 2.37 2.18 0.00 3.93 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.94 0.00 36 V 7.76 4.36 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 1.12 0.00 0.00 1.02 0.00 0.00 37 I 8.31 4.65 1.98 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 1.28 1.06 0.97 0.00 0.00 38 V 8.94 4.82 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.90 0.00 0.00 39 R 7.89 4.29 0.00 1.83 1.49 0.00 3.03 0.00 0.00 3.13 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.31 0.00 40 F 8.18 4.57 0.00 2.61 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.11 4.66 0.00 2.74 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 42 R 7.92 4.90 0.00 2.09 2.15 0.00 3.38 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 43 V 7.63 4.35 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 0.99 0.00 0.00 0.54 0.00 0.00 44 N 8.11 4.10 0.00 2.74 2.70 0.00 0.00 6.11 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 45 Y 7.28 4.55 0.00 3.12 3.11 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 0.00 0.00 0.00 0.00 46 N 8.00 4.84 0.00 2.81 2.78 0.00 0.00 6.88 7.62 0.00 0.00 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 G 8.29 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 48 F 8.22 4.68 0.00 2.98 3.13 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 0.00 0.00 0.00 0.00 49 S 8.36 4.47 0.00 3.83 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 4.42 0.00 3.79 3.73 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 52 A 8.64 4.89 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.70 4.90 0.00 3.93 3.82 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 0.00 0.00 0.00 54 G 8.95 3.54 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 0.00 0.00 0.00 55 V 8.83 4.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.11 0.00 0.00 56 N 8.49 4.76 0.00 2.85 2.87 0.00 0.00 6.79 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.78 5.26 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 58 N 8.59 5.01 0.00 2.93 2.72 0.00 0.00 6.88 6.68 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 59 N 8.79 5.07 0.00 2.78 2.69 0.00 0.00 7.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 10.01 4.88 0.00 3.15 3.13 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 0.00 0.00 0.00 0.00 61 A 9.19 4.78 1.54 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 0.00 0.00 62 E 8.08 3.78 0.00 2.09 1.97 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 2.43 2.42 0.00 63 N 8.33 4.38 0.00 2.87 2.99 0.00 0.00 6.01 7.76 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 64 E 8.64 4.66 0.00 2.36 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.72 0.00 65 L 7.77 5.08 0.00 1.63 1.51 0.82 0.38 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 66 E 8.61 4.69 0.00 1.85 1.81 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 2.30 2.21 0.00 67 L 8.59 4.14 0.00 1.64 1.57 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.24 4.23 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 0.73 0.00 0.00 0.97 0.00 0.00 69 Q 7.88 4.41 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 7.05 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 70 A 8.41 4.41 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.22 4.23 1.27 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 72 A 7.52 4.49 1.24 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 0.00 0.00 0.00 73 K 8.54 4.18 0.00 1.74 1.71 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.41 7.81