NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9799 8.3549 109.7346 45.5120 0.0000 172.6155 2 R 4.5124 8.2496 117.3052 54.1403 34.2944 172.8452 3 Q 4.6591 9.0404 120.6043 53.5510 33.1698 174.8820 4 F 4.4968 8.6471 120.0274 59.2504 39.4717 175.2243 5 G 4.1996 9.5632 112.4601 45.8781 0.0000 173.7024 6 H 5.0494 7.9536 115.4235 55.6481 29.4346 174.7851 7 L 4.2098 7.6414 119.3221 55.8705 42.3058 177.6929 8 T 4.4744 7.2126 112.2694 61.4377 70.6355 172.3977 9 R 4.5717 8.2931 122.9488 54.3587 31.4472 175.3631 10 V 4.4689 8.0699 123.8422 61.4557 34.5975 173.9860 11 R 4.4627 8.0366 124.8072 56.0437 33.5763 174.5978 12 H 4.2123 9.0257 117.4235 56.4789 25.5711 174.6774 13 V 4.2416 7.7338 118.5379 61.1062 32.9918 174.6567 14 I 4.0676 8.2950 128.6540 60.1432 37.8712 175.2589 15 T 4.3739 8.1634 122.6636 62.1523 69.5132 173.7048 16 Y 4.5157 8.4833 124.4475 56.6914 39.2724 175.0596 17 S 4.9023 8.4910 119.1721 56.5247 66.8506 172.8706 18 L 4.7911 8.0099 121.8243 53.0891 45.0640 175.9167 19 S 4.3827 8.4744 119.3767 57.6791 62.9919 173.1506 20 P 4.3683 0.0000 0.0000 64.5012 31.2946 177.0748 21 F 4.5444 8.0679 115.6797 57.8839 39.0392 175.9330 22 E 4.6029 8.4145 120.2182 56.1864 30.2508 175.4337 23 Q 4.5999 7.4692 115.2954 54.2420 31.7127 174.4007 24 R 4.0343 8.3079 117.9712 55.9178 30.8914 177.0307 25 A 3.6930 8.6023 125.8828 54.5680 18.5003 177.6512 26 F 4.4657 7.7235 116.9265 55.1065 38.8724 172.4926 27 P 4.6864 0.0000 0.0000 61.9838 33.2145 175.4290 28 H 4.2361 8.6276 121.0160 55.7099 26.7510 175.9072 29 Y 4.1458 7.9218 121.3409 60.1737 39.6037 176.9934 30 F 4.6371 7.9437 117.1654 59.0341 40.5551 177.7834 31 S 4.3209 8.4310 116.4856 61.2487 62.6799 176.2340 32 K 4.3445 7.9648 116.6646 57.1286 34.0340 178.8203 33 G 3.8942 8.3033 107.1500 47.1348 0.0000 175.4039 34 I 3.6756 7.3028 115.1255 63.3290 37.3972 176.1958 35 P 4.2691 0.0000 0.0000 65.2191 30.9848 178.4013 36 N 4.3409 8.0903 115.4778 56.2222 38.5924 177.8514 37 V 3.5954 7.7029 120.0703 64.7863 31.3867 177.7145 38 L 3.9019 7.6834 119.3004 57.9074 41.5814 179.4384 39 R 3.8630 7.8572 117.5903 59.8257 29.7055 178.7426 40 R 4.0366 7.9811 116.9871 58.9902 30.3350 178.9372 41 T 4.0547 8.0139 115.7771 66.6915 67.5779 176.8535 42 R 3.8073 8.0927 120.6753 59.7030 29.9208 177.9265 43 A 4.2092 7.9463 119.0889 54.5239 18.6251 178.2798 44 C 4.7295 8.4362 111.2504 57.8706 31.2388 176.0495 45 I 3.7016 7.1123 113.6434 64.5291 36.6822 177.6497 46 L 4.2916 7.8956 117.4087 55.7921 41.6077 178.2250 47 R 4.3596 7.8730 117.4821 57.0988 31.1531 177.8698 48 V 4.0338 7.5728 115.8995 64.9720 32.5951 177.4323 49 A 4.3096 8.4876 120.7249 54.9497 18.2433 177.6492 50 P 4.2583 0.0000 0.0000 65.5703 31.3236 177.0426 51 P 4.1916 0.0000 0.0000 65.0035 31.1136 178.3934 52 F 4.7482 8.2474 117.0206 59.8995 39.0256 178.4080 53 V 3.8070 8.0136 118.3861 64.6927 31.1580 177.8976 54 A 4.0407 8.4034 121.8518 55.0423 18.1151 179.3807 55 F 4.1465 8.5910 118.9362 61.5591 39.5036 176.3023 56 Y 4.0015 8.4274 119.5183 61.1322 38.5757 178.5059 57 L 4.0849 8.5059 119.8198 57.7754 41.8424 179.7364 58 V 3.7552 7.6912 118.2111 65.7184 31.3786 177.6655 59 Y 3.9046 7.9546 120.2377 60.8285 38.5307 177.8138 60 T 3.3980 7.6658 110.5012 63.7636 68.8737 176.6327 61 W 4.0236 8.2147 131.7541 60.4277 30.9308 178.3471 62 G 3.4314 8.0364 105.1862 47.7802 0.0000 175.6783 63 T 3.7020 7.5335 117.9682 66.4493 68.3108 176.3269 64 Q 3.9295 7.4558 119.6027 59.2948 28.8551 179.2950 65 E 3.5870 7.8683 120.1556 58.8870 29.2392 178.5140 66 F 4.1093 7.5876 119.9375 61.1227 39.5022 176.4389 67 E 3.6504 7.6095 115.3479 58.4951 29.5790 178.8034 68 K 3.9577 7.3809 118.7718 59.1278 32.0880 178.8667 69 S 4.1626 7.5915 112.6086 60.0147 62.6826 174.0688 70 K 4.4233 7.1270 119.9089 56.0738 32.1757 176.4858 71 R 4.5780 7.4903 115.2685 54.4269 34.2743 174.4556 72 K 4.6044 8.3157 120.4417 54.7803 35.1644 174.3817 73 N 4.7800 8.5152 116.0482 53.9800 40.7740 172.0709 74 P 4.6485 0.0000 0.0000 61.7962 33.3651 175.1092 75 A 4.0627 8.5364 121.7521 52.9326 18.6302 177.0863 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 3.98 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 0.00 2 R 8.25 4.51 0.00 1.74 1.73 0.00 3.12 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 3 Q 9.04 4.66 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.08 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 4 F 8.65 4.50 0.00 2.96 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 5 G 9.56 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 0.00 0.00 0.00 0.00 6 H 7.95 5.05 0.00 3.22 3.24 0.00 5.67 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.64 4.21 0.00 1.63 1.58 0.60 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.21 4.47 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 1.21 0.00 0.00 9 R 8.29 4.57 0.00 1.79 1.79 0.00 3.26 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 10 V 8.07 4.47 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 0.85 0.00 0.00 0.94 0.00 0.00 11 R 8.04 4.46 0.00 1.60 1.29 0.00 3.28 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 12 H 9.03 4.21 0.00 3.35 3.46 0.00 5.64 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.73 4.24 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 0.84 0.00 0.00 0.98 0.00 0.00 14 I 8.30 4.07 1.67 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.20 0.00 0.00 15 T 8.16 4.37 4.18 0.00 0.00 0.00 0.00 0.00 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 16 Y 8.48 4.52 0.00 2.95 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 17 S 8.49 4.90 0.00 3.82 3.75 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 18 L 8.01 4.79 0.00 1.54 1.48 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.47 4.38 0.00 3.95 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 20 P 0.00 4.37 0.00 1.79 1.96 0.00 4.02 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 21 F 8.07 4.54 0.00 2.87 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 22 E 8.41 4.60 0.00 2.11 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 0.00 2.32 2.40 0.00 23 Q 7.47 4.60 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.33 0.00 24 R 8.31 4.03 0.00 1.78 1.91 0.00 3.16 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 25 A 8.60 3.69 0.85 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 0.00 0.00 26 F 7.72 4.47 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.69 0.00 2.14 1.99 0.00 3.95 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 1.88 2.07 0.00 28 H 8.63 4.24 0.00 3.44 3.39 0.00 6.09 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.92 4.15 0.00 2.84 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 0.00 0.00 0.00 0.00 30 F 7.94 4.64 0.00 3.13 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.43 4.32 0.00 3.95 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 32 K 7.96 4.34 0.00 1.97 1.85 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.35 7.81 33 G 8.30 3.89 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 0.00 0.00 0.00 34 I 7.30 3.68 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.52 1.05 0.00 0.00 35 P 0.00 4.27 0.00 2.18 2.16 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 36 N 8.09 4.34 0.00 3.00 2.85 0.00 0.00 6.70 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 37 V 7.70 3.60 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 0.94 0.00 0.00 0.93 0.00 0.00 38 L 7.68 3.90 0.00 1.86 1.78 0.92 1.05 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 39 R 7.86 3.86 0.00 2.02 2.14 0.00 3.09 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 40 R 7.98 4.04 0.00 2.00 1.98 0.00 3.22 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 41 T 8.01 4.05 4.34 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 1.22 0.00 0.00 42 R 8.09 3.81 0.00 2.05 2.11 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 43 A 7.95 4.21 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 44 C 8.44 4.73 0.00 3.10 3.15 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 0.00 0.00 0.00 45 I 7.11 3.70 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 1.88 0.78 0.93 0.00 0.00 46 L 7.90 4.29 0.00 1.64 1.77 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.87 4.36 0.00 1.79 1.96 0.00 3.31 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 48 V 7.57 4.03 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 1.07 0.00 0.00 1.04 0.00 0.00 49 A 8.49 4.31 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.26 0.00 2.16 2.14 0.00 3.61 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 51 P 0.00 4.19 0.00 1.55 1.86 0.00 3.56 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.05 0.00 52 F 8.25 4.75 0.00 3.32 3.04 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 53 V 8.01 3.81 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 1.03 0.00 0.00 1.00 0.00 0.00 54 A 8.40 4.04 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.59 4.15 0.00 3.28 3.41 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 56 Y 8.43 4.00 0.00 3.34 3.29 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 57 L 8.51 4.08 0.00 1.79 1.78 0.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.69 3.76 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 1.08 0.00 0.00 0.98 0.00 0.00 59 Y 7.95 3.90 0.00 2.37 2.35 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 60 T 7.67 3.40 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 61 W 8.21 4.02 0.00 3.45 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 62 G 8.04 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.53 3.70 3.80 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 1.03 0.00 0.00 64 Q 7.46 3.93 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 65 E 7.87 3.59 0.00 1.16 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 1.47 1.89 0.00 66 F 7.59 4.11 0.00 2.91 3.15 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 0.00 0.00 0.00 67 E 7.61 3.65 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 2.37 2.35 0.00 68 K 7.38 3.96 0.00 1.63 1.82 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.52 7.81 69 S 7.59 4.16 0.00 4.10 3.92 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 70 K 7.13 4.42 0.00 1.47 1.60 0.00 1.15 0.00 0.00 1.45 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.12 7.81 71 R 7.49 4.58 0.00 1.84 1.70 0.00 3.07 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.62 0.00 72 K 8.32 4.60 0.00 1.62 1.66 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.49 7.81 73 N 8.52 4.78 0.00 2.63 2.71 0.00 0.00 6.86 7.69 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 74 P 0.00 4.65 0.00 2.18 2.01 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.05 0.00 75 A 8.54 4.06 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