NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4245 8.3044 120.3258 54.7812 33.6721 174.9085 2 N 4.6740 8.0445 117.0092 49.9452 41.5156 172.3595 3 T 3.9364 8.7533 116.3567 61.9997 70.2859 173.0552 4 V 4.2112 7.9455 122.4055 61.4580 33.2047 175.6450 5 R 4.4273 8.4547 124.6187 54.9599 30.1435 176.0483 6 W 4.7968 8.7216 123.4799 55.4137 30.4360 175.9162 7 N 4.9960 8.4858 119.5872 51.4072 40.2690 173.8709 8 I 4.5342 8.1434 115.4382 58.9018 40.7936 174.1158 9 A 4.7408 8.3702 124.8595 50.6919 20.7860 176.4976 10 V 4.5957 7.8684 114.1633 59.2227 36.2625 175.2691 11 S 4.3493 8.3882 116.0028 57.3610 63.5317 173.5988 12 P 4.5047 0.0000 0.0000 65.5836 30.5949 178.1518 13 D 4.3719 8.0154 118.9001 56.2774 39.4916 178.8051 14 V 3.7178 8.1428 115.9495 63.5758 31.5910 177.8800 15 D 4.2527 8.0008 117.2958 57.4263 41.1890 177.7791 16 Q 3.9607 7.7705 120.2199 59.3082 28.6629 178.5680 17 S 4.1528 7.8683 115.2867 61.3202 62.6272 176.6294 18 V 3.2096 7.6599 121.8180 65.7347 31.2370 178.1182 19 R 3.9728 7.9245 118.3052 59.3971 29.8391 178.3748 20 M 4.0513 8.0171 118.8702 58.1271 31.8922 178.2679 21 F 3.9941 8.2339 121.0574 61.3344 39.5404 177.2475 22 I 3.6975 7.6166 111.1649 64.0054 37.1584 177.7913 23 A 4.0801 7.9580 121.4658 55.0042 18.2282 179.2143 24 A 4.0368 7.8035 118.0100 54.3604 18.5705 178.8114 25 Q 4.3874 7.7348 113.8749 53.1749 29.6117 177.3728 26 G 4.4133 8.3721 112.8310 45.6250 0.0000 174.7939 27 G 4.4222 8.2277 126.8441 46.0413 0.0000 173.1583 28 G 4.1246 7.2171 108.7803 43.8782 0.0000 171.8642 29 R 4.3094 7.5734 116.9501 55.2807 30.8760 177.1902 30 K 4.0676 8.0247 117.9084 58.6677 32.7105 180.7686 31 G 4.0688 7.7261 109.9209 45.7278 0.0000 169.8994 32 D 5.0042 8.1195 117.6178 51.4698 42.1262 175.3478 33 L 4.0315 8.6596 118.1968 58.7562 42.0373 179.8792 34 S 4.2362 8.2381 113.9514 61.7395 62.6745 176.5246 35 R 3.8852 7.9245 122.2562 58.8183 29.5728 178.0836 36 F 4.1059 8.1026 120.2093 61.5198 39.3540 177.0516 37 I 3.0194 7.8420 117.5337 63.4011 37.9171 177.0862 38 E 3.6878 7.9717 120.3322 59.5418 29.4567 178.7570 39 D 4.3153 8.0815 118.4024 56.9079 40.6367 178.7175 40 A 3.8036 7.2916 121.4186 55.2604 18.3337 180.1689 41 V 3.7380 7.8980 111.0755 64.3906 31.6793 178.8219 42 R 3.8878 7.8719 117.9787 59.3746 29.9100 178.5015 43 A 4.3236 7.8775 120.1977 55.3346 18.3366 179.3372 44 Y 4.0486 7.7744 115.2081 61.3251 37.8107 178.4484 45 L 4.0490 8.0329 118.6516 57.8019 42.0075 179.2279 46 F 4.3959 8.2546 120.1935 61.1338 39.1868 176.6325 47 E 2.7134 7.0160 118.8091 59.1893 29.1642 179.1679 48 R 3.8044 7.8621 116.8959 58.2393 29.7898 178.9525 49 A 3.9158 7.5370 120.6678 55.1830 18.5250 178.6713 50 V 3.6632 6.9609 115.4053 65.8052 31.8125 175.5245 51 E 4.4537 7.5667 123.2980 56.8982 30.3050 174.9635 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 M 8.30 4.42 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 2 N 8.04 4.67 0.00 2.69 2.64 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.75 3.94 4.22 0.00 0.00 0.00 0.00 0.00 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 4 V 7.95 4.21 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 1.11 0.00 0.00 0.96 0.00 0.00 5 R 8.45 4.43 0.00 1.90 1.95 0.00 3.28 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 6 W 8.72 4.80 0.00 3.23 3.23 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 0.00 7 N 8.49 5.00 0.00 2.61 2.69 0.00 0.00 6.84 7.50 0.00 0.00 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 I 8.14 4.53 1.78 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 0.64 0.00 0.00 9 A 8.37 4.74 1.23 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 0.00 0.00 0.00 10 V 7.87 4.60 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 0.81 0.00 0.00 0.96 0.00 0.00 11 S 8.39 4.35 0.00 4.18 3.99 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 0.00 0.00 0.00 0.00 12 P 0.00 4.50 0.00 2.28 2.37 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 13 D 8.02 4.37 0.00 2.98 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 14 V 8.14 3.72 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 1.01 0.00 0.00 1.04 0.00 0.00 15 D 8.00 4.25 0.00 2.78 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 16 Q 7.77 3.96 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 17 S 7.87 4.15 0.00 4.05 4.22 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.66 3.21 2.06 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 0.29 0.00 0.00 0.60 0.00 0.00 19 R 7.92 3.97 0.00 1.90 1.89 0.00 3.14 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 20 M 8.02 4.05 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.69 0.00 21 F 8.23 3.99 0.00 3.16 3.20 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 0.00 22 I 7.62 3.70 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 1.65 1.04 1.03 0.00 0.00 23 A 7.96 4.08 1.39 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 24 A 7.80 4.04 1.25 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 0.00 0.00 25 Q 7.73 4.39 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.99 0.00 0.00 0.00 0.00 0.00 1.92 1.78 0.00 26 G 8.37 4.41 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 0.00 0.00 0.00 27 G 8.23 4.42 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 0.00 28 G 7.22 4.12 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 0.00 0.00 0.00 29 R 7.57 4.31 0.00 1.96 1.98 0.00 3.22 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 30 K 8.02 4.07 0.00 1.76 1.82 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 31 G 7.73 4.07 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 0.00 0.00 0.00 32 D 8.12 5.00 0.00 2.81 2.80 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 0.00 0.00 0.00 0.00 33 L 8.66 4.03 0.00 1.76 1.74 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.24 4.24 0.00 4.11 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 35 R 7.92 3.89 0.00 1.87 2.21 0.00 3.11 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 36 F 8.10 4.11 0.00 3.20 3.30 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 0.00 0.00 0.00 37 I 7.84 3.02 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.85 1.08 0.00 0.00 38 E 7.97 3.69 0.00 2.17 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 2.07 2.30 0.00 39 D 8.08 4.32 0.00 2.63 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 40 A 7.29 3.80 1.07 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 0.00 0.00 41 V 7.90 3.74 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 0.93 0.00 0.00 0.91 0.00 0.00 42 R 7.87 3.89 0.00 1.89 2.13 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 43 A 7.88 4.32 1.28 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 0.00 0.00 44 Y 7.77 4.05 0.00 3.14 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.05 0.00 1.70 1.81 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.25 4.40 0.00 3.14 3.35 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 0.00 0.00 0.00 47 E 7.02 2.71 0.00 1.91 1.69 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 1.94 1.62 0.00 48 R 7.86 3.80 0.00 1.86 1.94 0.00 3.31 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 49 A 7.54 3.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.96 3.66 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 0.85 0.00 0.00 1.04 0.00 0.00 51 E 7.57 4.45 0.00 1.98 1.70 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 2.12 2.28 0.00