NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3827 8.2649 123.6052 51.9205 19.4192 176.3185 2 T 3.5784 8.4787 112.9253 65.1107 68.8951 171.8034 3 C 4.1193 9.0348 131.0556 57.6103 44.4788 173.0824 4 D 4.5318 7.3247 118.4032 52.7840 39.5268 175.2150 5 L 4.6290 7.4776 121.4722 54.3369 45.2803 176.8435 6 A 3.3356 8.3564 126.9302 53.5860 16.9803 180.6555 7 S 4.0005 8.4977 113.4420 59.1635 61.3282 173.3060 8 F 4.3974 7.5815 120.4172 57.1787 38.2274 176.3053 9 S 4.7804 8.2255 116.0680 57.0657 63.2699 176.5734 10 S 4.2298 8.4762 117.1869 60.1709 63.6862 175.5833 11 Q 4.4912 8.5167 124.9946 54.4865 28.3671 174.1549 12 W 5.1352 7.1878 126.7604 58.1927 33.7662 172.9037 13 V 3.4916 6.9370 111.1187 60.9816 31.5414 176.1175 14 T 3.9587 8.2315 115.2729 60.9435 69.2292 172.4673 15 P 4.1753 0.0000 0.0000 65.3904 32.2182 176.6213 16 N 4.0438 8.2314 115.3003 52.7234 36.3340 174.2446 17 D 4.5727 7.9665 120.8752 57.3667 39.8281 179.6564 18 S 4.1291 8.0420 114.4656 60.6639 63.3341 174.6218 19 L 4.5525 7.6788 117.3859 56.2789 44.1779 179.1098 20 C 4.2196 9.0456 118.0067 59.7715 44.3200 175.5128 21 A 4.0019 7.8608 121.7544 54.9750 17.6918 179.3540 22 A 3.9266 7.9394 118.1443 55.6966 18.7012 178.8690 23 H 4.3001 8.3360 116.7083 59.4782 29.8501 176.8392 24 C 4.4144 8.1176 118.2044 60.2569 34.2209 176.0919 25 I 4.3532 8.3817 122.5394 63.8856 36.4052 178.2712 26 A 4.1006 7.6802 120.5068 53.9706 18.3828 178.0383 27 R 4.4515 7.7115 115.7677 56.2311 30.8784 176.1430 28 R 3.7719 7.5759 112.0064 57.3955 28.5358 176.1745 29 Y 4.8241 7.6445 114.7141 56.3516 40.1851 177.5612 30 R 3.9146 8.8040 121.5015 58.1247 30.4924 177.1135 31 G 4.4387 7.8049 111.4151 44.5979 0.0000 171.3508 32 G 3.5820 7.9235 114.2734 42.8901 0.0000 172.3303 33 Y 3.5753 8.8829 121.3165 57.8817 37.8657 168.0309 34 C 4.0872 8.2789 125.2708 55.9786 44.8678 172.0765 35 N 4.6423 8.7814 129.7754 52.9704 39.5689 175.4325 36 G 3.7087 8.7883 108.1135 49.5646 0.0000 174.3393 37 K 4.0011 7.5487 119.3835 56.3606 32.0856 176.6992 38 R 4.5254 7.6947 115.7273 56.5566 31.7518 174.7000 39 V 4.5161 7.3179 118.6851 61.7807 33.7203 176.2765 40 C 4.7256 8.4622 126.4285 56.1391 39.0855 174.2026 41 V 3.7664 7.4184 120.4356 62.7791 32.1989 175.4174 42 C 4.3729 8.3928 125.1347 56.8846 40.6879 173.8291 43 R 4.2486 8.2225 119.6468 56.7965 28.5242 174.6326 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 8.26 4.38 1.42 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 2 T 8.48 3.58 4.20 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 1.19 0.00 0.00 3 C 9.03 4.12 0.00 3.05 3.08 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 0.00 0.00 0.00 0.00 4 D 7.32 4.53 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.48 4.63 0.00 1.81 1.54 1.01 1.14 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 6 A 8.36 3.34 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.50 4.00 0.00 3.78 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 8 F 7.58 4.40 0.00 3.11 3.19 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 0.00 0.00 0.00 0.00 9 S 8.23 4.78 0.00 3.98 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 0.00 10 S 8.48 4.23 0.00 3.95 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 11 Q 8.52 4.49 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 12 W 7.19 5.14 0.00 3.19 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 13 V 6.94 3.49 1.76 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 -0.11 0.00 0.00 0.55 0.00 0.00 14 T 8.23 3.96 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 1.17 0.00 0.00 15 P 0.00 4.18 0.00 2.41 2.09 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 16 N 8.23 4.04 0.00 3.00 3.08 0.00 0.00 5.86 7.99 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 17 D 7.97 4.57 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.04 4.13 0.00 3.82 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 19 L 7.68 4.55 0.00 1.63 1.62 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 20 C 9.05 4.22 0.00 3.11 3.34 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 21 A 7.86 4.00 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 22 A 7.94 3.93 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 23 H 8.34 4.30 0.00 3.37 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.12 4.41 0.00 3.32 3.25 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 0.00 25 I 8.38 4.35 2.06 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 1.59 1.08 0.91 0.00 0.00 26 A 7.68 4.10 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.71 4.45 0.00 2.03 1.94 0.00 3.42 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 28 R 7.58 3.77 0.00 1.64 1.83 0.00 3.06 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 29 Y 7.64 4.82 0.00 3.05 2.77 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 30 R 8.80 3.91 0.00 1.85 2.03 0.00 3.44 0.00 0.00 3.46 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 31 G 7.80 4.44 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 0.00 32 G 7.92 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 8.88 3.58 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.28 4.09 0.00 3.01 2.85 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 0.00 0.00 0.00 35 N 8.78 4.64 0.00 2.79 2.72 0.00 0.00 7.04 7.80 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 36 G 8.79 3.71 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 0.00 0.00 0.00 37 K 7.55 4.00 0.00 1.73 1.64 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 38 R 7.69 4.53 0.00 1.98 1.96 0.00 3.00 0.00 0.00 2.61 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.47 0.00 39 V 7.32 4.52 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 1.06 0.00 0.00 1.10 0.00 0.00 40 C 8.46 4.73 0.00 2.97 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.42 3.77 2.38 0.00 0.00 0.00 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 0.93 0.00 0.00 42 C 8.39 4.37 0.00 2.31 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 0.00 0.00 0.00 0.00 43 R 8.22 4.25 0.00 1.89 1.83 0.00 3.16 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.87 0.00