NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9510 8.3544 109.7387 45.8446 0.0000 172.7157 0 S 4.4135 8.1598 113.7534 55.9085 65.5530 173.3697 1 S 3.6907 7.7865 119.2198 58.1782 65.4753 170.9266 2 G 3.4449 5.3800 103.8739 46.0293 0.0000 171.7322 3 V 4.8371 8.4693 119.8310 61.1660 34.3268 176.2942 4 R 4.5643 8.9975 126.7433 54.3952 32.0477 175.5195 5 L 4.7352 8.2593 124.3488 54.4250 42.6926 176.3393 6 W 5.1804 9.0609 120.9020 55.3839 33.4040 175.4623 7 A 4.5637 8.9538 122.4996 53.3334 20.5954 177.2343 8 T 4.7472 7.6252 103.5959 59.2166 71.6344 174.5393 9 R 4.1580 8.4974 119.8760 58.4255 29.9506 178.0161 10 Q 4.0888 8.4208 117.4434 56.8399 28.7697 177.4957 11 A 3.9415 7.8321 121.5095 56.0738 18.8402 179.5174 12 M 2.5500 7.3004 114.1661 57.8821 30.5610 178.4357 13 L 3.9149 7.5503 119.5017 56.5973 41.9613 178.4302 14 G 4.0063 7.5415 102.4675 44.8117 0.0000 173.9059 15 Q 4.6335 7.1906 118.1571 55.2227 30.4981 176.9811 16 V 3.6257 7.1665 117.0093 63.2305 31.7360 177.2618 17 H 4.2539 7.9152 118.1241 59.1391 28.0966 176.0779 18 E 3.9664 7.6083 117.8019 57.1721 29.7704 177.4726 19 V 3.0309 6.8095 129.6244 60.0528 30.4181 174.2645 20 P 4.4246 0.0000 0.0000 62.0180 32.1034 175.9830 21 E 4.2144 8.8389 118.3587 57.8983 29.9718 177.2447 22 G 4.3928 9.0276 107.4952 46.9264 0.0000 174.2991 23 W 4.8144 8.0693 118.5112 54.1262 32.6463 175.9349 24 L 4.6289 8.4337 125.6562 55.3875 42.9180 176.8582 25 I 5.2994 9.6796 122.7010 59.9352 40.9456 174.2757 26 F 5.3751 9.6796 131.3669 56.6256 40.8542 175.7835 27 V 4.5556 8.4436 130.5102 62.5308 29.1089 176.7302 28 A 2.9779 7.2541 129.6127 54.5832 19.0839 180.1859 29 E 3.9941 7.3862 115.4851 58.6220 29.7801 177.5635 30 Q 4.2715 8.2687 116.2467 55.1833 29.7681 175.0542 31 E 3.9243 7.4723 116.2436 57.8808 27.4596 174.1935 32 E 4.6327 7.8358 116.7870 54.3007 33.3503 175.7793 33 L 5.2607 8.2945 125.5425 53.6253 44.8333 174.5720 34 Y 5.4810 9.2148 123.3643 56.1179 42.5280 174.7347 35 V 4.8503 8.3670 119.9368 59.7462 34.5966 174.8478 36 R 4.4056 8.9398 125.2384 56.8003 30.8170 176.0368 37 V 4.5465 8.1727 120.0637 60.3224 34.1055 177.5865 38 Q 4.2671 8.0687 119.0309 60.4049 29.2704 178.3519 39 N 4.8823 8.1966 113.6335 50.0838 39.1613 171.8300 40 G 3.8658 7.3288 106.9589 43.6108 0.0000 170.5401 41 F 5.2209 7.6882 113.9091 54.9229 40.5346 175.2484 42 R 4.5653 8.5525 121.3630 53.9338 32.0728 174.8057 43 K 4.5006 8.9826 126.1219 56.6013 32.6529 176.6763 44 V 3.9738 8.4649 128.2128 61.4665 32.4600 176.0832 45 Q 4.2075 8.6064 122.7958 55.6184 29.3176 175.4132 46 L 4.8215 8.1552 121.4957 52.8499 45.4164 175.9105 47 E 4.3726 8.3409 119.8059 54.8755 31.2850 176.1163 48 A 4.2226 8.1331 122.0428 51.8288 19.0254 177.5423 49 R 4.0345 8.3648 120.0644 56.7598 30.7823 176.0067 50 T 4.5880 8.1278 120.3781 60.6544 70.4136 172.9182 51 P 4.3404 0.0000 0.0000 63.3118 31.8587 175.7490 52 L 4.2606 8.6411 121.8754 57.6755 42.8328 174.6702 53 P 4.4132 0.0000 0.0000 62.1218 30.8626 175.6684 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 G 8.35 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 0.00 0.00 0.00 0 S 8.16 4.41 0.00 3.85 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 1 S 7.79 3.69 0.00 2.72 3.28 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 0.00 0.00 0.00 0.00 2 G 5.38 3.44 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 3 V 8.47 4.84 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 0.93 0.00 0.00 0.89 0.00 0.00 4 R 9.00 4.56 0.00 1.89 1.03 0.00 2.80 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 5 L 8.26 4.74 0.00 1.43 1.64 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 6 W 9.06 5.18 0.00 3.52 2.84 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 7 A 8.95 4.56 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.63 4.75 4.23 0.00 0.00 0.00 0.00 0.00 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 9 R 8.50 4.16 0.00 1.94 1.94 0.00 3.52 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 10 Q 8.42 4.09 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.44 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 11 A 7.83 3.94 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.30 2.55 0.00 1.49 1.03 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 13 L 7.55 3.91 0.00 1.68 1.68 0.94 1.10 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 14 G 7.54 4.01 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 0.00 0.00 0.00 15 Q 7.19 4.63 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 16 V 7.17 3.63 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.67 0.00 0.00 17 H 7.92 4.25 0.00 3.16 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.61 3.97 0.00 1.98 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 2.32 2.28 0.00 19 V 6.81 3.03 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 0.77 0.00 0.00 0.99 0.00 0.00 20 P 0.00 4.42 0.00 2.26 2.04 0.00 2.99 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.64 0.00 21 E 8.84 4.21 0.00 2.15 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 0.00 2.48 2.41 0.00 22 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 23 W 8.07 4.81 0.00 3.48 3.28 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 0.00 0.00 0.00 0.00 24 L 8.43 4.63 0.00 1.61 1.73 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 25 I 9.68 5.30 2.17 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 1.52 1.53 0.95 0.00 0.00 26 F 9.68 5.38 0.00 3.15 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 27 V 8.44 4.56 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 0.70 0.00 0.00 1.06 0.00 0.00 28 A 7.25 2.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.39 3.99 0.00 2.00 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 0.00 2.32 2.42 0.00 30 Q 8.27 4.27 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 31 E 7.47 3.92 0.00 2.11 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 2.35 2.30 0.00 32 E 7.84 4.63 0.00 1.83 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 2.45 2.41 0.00 33 L 8.29 5.26 0.00 1.77 1.50 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 9.21 5.48 0.00 2.93 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 35 V 8.37 4.85 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 0.91 0.00 0.00 1.03 0.00 0.00 36 R 8.94 4.41 0.00 2.15 2.15 0.00 3.40 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.77 0.00 37 V 8.17 4.55 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 0.80 0.00 0.00 1.05 0.00 0.00 38 Q 8.07 4.27 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.38 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 39 N 8.20 4.88 0.00 2.60 2.66 0.00 0.00 7.03 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 40 G 7.33 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 41 F 7.69 5.22 0.00 3.15 2.89 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 0.00 0.00 0.00 42 R 8.55 4.57 0.00 1.87 1.97 0.00 3.17 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 43 K 8.98 4.50 0.00 2.35 1.93 0.00 1.88 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.06 7.81 44 V 8.46 3.97 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 0.83 0.00 0.00 0.93 0.00 0.00 45 Q 8.61 4.21 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 46 L 8.16 4.82 0.00 1.57 1.52 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.34 4.37 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 48 A 8.13 4.22 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 49 R 8.36 4.03 0.00 1.80 1.86 0.00 3.23 0.00 0.00 3.46 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 50 T 8.13 4.59 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 1.21 0.00 0.00 51 P 0.00 4.34 0.00 2.17 2.07 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 52 L 8.64 4.26 0.00 1.60 1.72 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.41 0.00 2.09 1.92 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00