NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7724 8.3431 109.7406 46.3927 0.0000 174.5227 3 G 3.6159 8.2487 106.8841 44.1447 0.0000 170.4827 4 Y 5.0563 8.9773 116.4114 56.1505 43.4361 173.5610 5 V 4.2525 8.8591 122.4409 61.5284 33.4337 174.7024 6 N 5.0356 9.0689 127.6525 52.2953 39.4847 174.1318 7 I 4.6609 8.6302 126.2579 59.4020 39.4545 174.8669 8 K 4.9116 8.6726 128.9849 54.7938 34.1292 174.9715 9 T 4.5753 8.7629 117.9533 60.0695 71.6961 173.2594 10 F 5.3180 8.1394 121.5694 55.8730 41.1982 176.0042 11 T 4.4617 8.6916 120.0104 64.4025 68.9830 173.2544 12 H 4.8874 8.7067 119.4947 53.7199 32.1354 171.4851 13 P 4.7378 0.0000 0.0000 62.5671 31.9100 176.7519 14 A 4.5908 8.4950 124.3474 50.0536 19.5048 177.0284 15 G 4.0272 8.0181 108.9692 44.3681 0.0000 171.0892 16 E 4.0986 8.4071 121.1783 57.2774 30.2328 177.4613 17 G 3.9667 8.9933 112.5871 45.7453 0.0000 172.5892 18 K 5.3163 7.9723 118.6846 54.7010 36.5055 174.7907 19 E 5.1332 9.2459 119.5228 55.5865 33.9750 173.6615 20 V 4.5316 8.3799 119.6352 60.8042 34.0245 174.8401 21 K 4.4430 8.7206 127.5943 56.0707 32.7509 177.3024 22 G 4.0349 9.1643 111.9278 46.1413 0.0000 172.4258 23 M 4.9864 8.8747 116.9029 53.7023 35.3606 173.5245 24 E 4.8440 8.5595 119.1062 54.4283 32.0204 175.9140 25 V 4.7659 8.7823 124.0717 60.0745 35.2586 174.4941 26 S 5.1082 9.2154 120.5339 57.0587 65.0137 173.1434 27 V 4.5406 8.4476 124.8140 60.0523 34.1172 172.9065 28 P 4.0626 0.0000 0.0000 63.2133 31.8409 177.2107 29 F 4.1330 8.8593 125.9887 61.4148 39.2667 177.3907 30 E 3.8239 8.0581 117.8427 59.2274 29.0677 179.1735 31 I 3.6336 7.4493 118.4874 64.3684 37.0110 177.3414 32 Y 3.7533 7.6124 120.5114 60.6665 38.4154 178.3971 33 S 3.9799 7.7467 113.7820 61.0548 63.1160 175.7372 34 N 4.5771 7.6985 119.7880 54.9938 38.3083 175.0459 35 E 4.4374 7.3147 117.5236 55.7463 32.3835 173.9148 36 H 5.1855 8.2599 120.9628 53.8342 31.6924 172.5613 37 R 4.3754 9.3474 121.1068 54.6168 31.8213 174.9672 38 I 4.5039 8.4865 126.2896 59.9387 37.8248 174.9822 39 A 4.5145 8.6182 126.2817 51.0524 20.2843 174.8814 40 D 5.0254 8.2962 114.3960 52.2473 44.0029 175.3169 41 A 4.3825 8.7107 127.3180 53.7467 19.7862 177.6642 42 H 4.7881 8.1803 116.6355 53.6814 27.4223 173.0668 43 Y 4.6153 6.6046 117.0863 55.9625 41.4032 175.2143 44 Q 4.5787 8.9487 117.2473 54.9885 32.7318 173.6722 45 T 4.9154 8.4187 113.6078 60.3898 70.8166 172.7761 46 F 5.1888 7.7702 122.1980 54.5719 41.5230 172.0657 47 P 5.3052 0.0000 0.0000 62.4301 33.2020 174.6373 48 S 4.5890 8.4834 113.6531 57.7753 65.9985 175.9629 49 E 4.0330 9.0725 120.8850 58.5182 29.5677 177.6283 50 K 4.6413 7.6528 115.5661 53.8073 34.9275 175.5739 51 A 3.3509 7.6334 124.2867 52.0848 18.4076 177.8021 52 A 4.0949 8.3990 126.4490 53.2660 19.2763 176.7331 53 Y 5.1222 7.1461 112.5608 56.3422 40.5470 176.2578 54 T 3.9773 8.5658 118.2774 66.7343 68.9371 175.1739 55 T 4.3276 7.8917 119.0683 62.8409 69.4938 174.1126 56 V 4.7947 8.1750 126.9452 60.5954 33.5445 175.4590 57 V 4.0998 8.8408 129.2596 63.6600 31.5174 175.5930 58 T 4.4110 8.6797 116.9782 63.0915 70.3645 174.2805 59 D 4.7182 7.5709 119.6209 50.7647 43.6190 175.4445 60 A 4.1220 8.6453 119.8963 55.3927 18.2540 179.5551 61 A 3.9262 8.0346 118.8215 55.2730 18.5630 179.1101 62 D 4.3069 8.6999 116.7644 57.2840 41.2956 178.4153 63 W 4.5104 8.2621 128.5608 60.4460 30.8296 177.7355 64 R 3.4868 8.1920 118.9283 59.7309 29.3022 178.5589 65 T 3.7469 7.7140 115.0500 66.7036 68.2905 176.9197 66 K 3.9255 7.7956 118.8599 59.3223 32.4168 178.6319 67 N 3.6718 7.9026 117.4166 56.3319 38.6376 176.8469 68 A 4.0029 7.6216 121.6582 54.7369 18.2435 178.9186 69 A 4.0753 7.2818 117.2634 54.1365 18.5297 178.7601 70 M 4.0040 7.1908 116.1023 56.1018 32.2346 176.7709 71 F 4.9849 7.4330 115.2706 57.1586 40.4134 174.9252 72 T 4.4518 7.6426 118.2206 61.0492 68.7473 172.6036 73 P 4.7685 0.0000 0.0000 62.8496 32.2219 176.1950 74 T 4.7685 9.2975 113.1287 58.9580 72.4662 171.5186 75 P 4.7544 0.0000 0.0000 62.6195 32.2293 176.5433 76 V 3.9810 8.2919 122.6419 63.2931 31.0463 175.6587 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 G 8.34 3.77 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 0.00 0.00 0.00 3 G 8.25 3.62 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 0.00 0.00 0.00 4 Y 8.98 5.06 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.86 4.25 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.87 0.00 0.00 6 N 9.07 5.04 0.00 2.32 2.20 0.00 0.00 6.50 7.45 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 7 I 8.63 4.66 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.41 0.92 0.00 0.00 8 K 8.67 4.91 0.00 1.90 1.81 0.00 1.77 0.00 0.00 2.02 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.35 7.81 9 T 8.76 4.58 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 1.14 0.00 0.00 10 F 8.14 5.32 0.00 3.06 2.91 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 0.00 0.00 0.00 11 T 8.69 4.46 4.29 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 1.24 0.00 0.00 12 H 8.71 4.89 0.00 3.16 3.29 0.00 5.47 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.74 0.00 1.99 2.05 0.00 3.70 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 2.06 2.12 0.00 14 A 8.50 4.59 1.22 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 0.00 0.00 15 G 8.02 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 16 E 8.41 4.10 0.00 1.95 1.88 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 2.30 2.32 0.00 17 G 8.99 3.97 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 0.00 0.00 0.00 18 K 7.97 5.32 0.00 1.93 1.69 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.34 7.81 19 E 9.25 5.13 0.00 2.03 1.99 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 2.32 2.22 0.00 20 V 8.38 4.53 1.79 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 0.98 0.00 0.00 0.97 0.00 0.00 21 K 8.72 4.44 0.00 1.65 1.70 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.42 7.81 22 G 9.16 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 M 8.87 4.99 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 24 E 8.56 4.84 0.00 1.31 1.12 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 1.76 2.01 0.00 25 V 8.78 4.77 2.16 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 0.90 0.00 0.00 1.06 0.00 0.00 26 S 9.22 5.11 0.00 3.69 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.54 1.61 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 0.12 0.00 0.00 0.33 0.00 0.00 28 P 0.00 4.06 0.00 1.98 1.74 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 29 F 8.86 4.13 0.00 3.04 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 30 E 8.06 3.82 0.00 1.99 1.92 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 2.41 2.46 0.00 31 I 7.45 3.63 1.89 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 1.51 0.41 0.93 0.00 0.00 32 Y 7.61 3.75 0.00 2.61 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 33 S 7.75 3.98 0.00 3.73 2.83 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 0.00 0.00 0.00 0.00 34 N 7.70 4.58 0.00 2.92 2.90 0.00 0.00 6.76 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.31 4.44 0.00 1.90 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 2.15 2.15 0.00 36 H 8.26 5.19 0.00 3.11 2.84 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 9.35 4.38 0.00 1.67 1.99 0.00 3.11 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.40 0.00 38 I 8.49 4.50 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.89 1.05 0.00 0.00 39 A 8.62 4.51 0.29 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 40 D 8.30 5.03 0.00 3.08 2.82 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 41 A 8.71 4.38 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 42 H 8.18 4.79 0.00 3.41 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 6.60 4.62 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.95 4.58 0.00 2.28 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 45 T 8.42 4.92 4.27 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 1.28 0.00 0.00 46 F 7.77 5.19 0.00 3.08 3.05 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 0.00 0.00 0.00 0.00 47 P 0.00 5.31 0.00 2.03 2.00 0.00 3.90 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 48 S 8.48 4.59 0.00 3.89 3.97 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 49 E 9.07 4.03 0.00 2.01 2.08 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 2.32 2.34 0.00 50 K 7.65 4.64 0.00 1.65 1.62 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.40 7.81 51 A 7.63 3.35 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.15 5.12 0.00 2.97 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.57 3.98 4.28 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 1.23 0.00 0.00 55 T 7.89 4.33 4.47 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 1.26 0.00 0.00 56 V 8.17 4.79 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 0.88 0.00 0.00 0.90 0.00 0.00 57 V 8.84 4.10 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 0.98 0.00 0.00 1.16 0.00 0.00 58 T 8.68 4.41 4.28 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 1.26 0.00 0.00 59 D 7.57 4.72 0.00 2.94 2.82 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 60 A 8.65 4.12 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.03 3.93 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.70 4.31 0.00 2.97 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 63 W 8.26 4.51 0.00 3.47 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 64 R 8.19 3.49 0.00 2.02 1.93 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 65 T 7.71 3.75 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 66 K 7.80 3.93 0.00 1.88 1.95 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.39 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.70 7.81 67 N 7.90 3.67 0.00 1.44 1.98 0.00 0.00 7.09 8.62 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 68 A 7.62 4.00 1.30 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 0.00 0.00 69 A 7.28 4.08 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 70 M 7.19 4.00 0.00 1.36 1.18 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 71 F 7.43 4.98 0.00 3.01 2.91 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 0.00 0.00 0.00 72 T 7.64 4.45 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 1.21 0.00 0.00 73 P 0.00 4.77 0.00 1.94 1.99 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 74 T 9.30 4.77 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 1.19 0.00 0.00 75 P 0.00 4.75 0.00 1.95 2.02 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 76 V 8.29 3.98 2.08 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 0.68 0.00 0.00 0.90 0.00 0.00