NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3323 8.1593 117.3731 62.5937 70.1932 173.4178 2 P 4.3344 0.0000 0.0000 62.0171 32.7332 174.0338 3 D 4.4188 8.8830 121.6960 55.5048 41.4480 176.2995 4 C 4.8599 8.8513 119.6713 57.5018 44.8250 173.9309 5 V 4.7140 7.2843 109.9369 60.0153 36.3022 173.6954 6 T 4.9204 8.5719 118.2746 61.3373 72.2102 173.7976 7 G 3.9322 8.2159 112.1548 46.2307 0.0000 172.2305 8 K 4.7088 8.3840 118.5373 55.3152 32.6147 178.1567 9 V 3.9306 7.9896 121.0741 61.8617 30.3400 175.0805 10 E 4.3064 8.7061 128.8793 59.0312 29.8925 176.2350 11 Y 5.0468 7.2392 114.8494 56.2451 41.0860 173.1263 12 T 4.9885 8.6161 110.0634 59.9084 72.3167 173.2806 13 K 4.4548 8.3434 123.6835 54.8721 35.6218 174.5436 14 Y 4.3650 8.8498 129.5501 57.7842 39.5314 174.5412 15 N 5.0234 8.3110 123.8501 51.3797 41.4833 175.5073 16 D 4.5855 8.8446 119.1409 56.1732 41.4986 176.1017 17 D 4.9146 7.8131 117.7630 53.7137 39.8820 176.0163 18 D 3.9714 7.9573 116.3087 56.2990 39.3219 173.9765 19 T 4.5100 7.5255 110.3787 60.7525 71.7414 173.2662 20 F 5.0548 8.6816 122.8584 57.0387 42.2858 173.5933 21 T 5.2316 8.7234 123.8384 62.5073 70.9307 174.3758 22 V 4.7280 8.8263 122.9301 60.0124 35.5807 173.7260 23 K 4.7616 8.2304 124.4910 54.6227 34.5089 174.8831 24 V 4.5065 8.0735 127.2582 61.3984 34.6864 175.0309 25 G 3.7074 8.8209 115.7990 47.3344 0.0000 173.7020 26 D 4.8211 8.7169 124.6405 52.6928 39.9047 176.0199 27 K 4.8532 7.8485 118.9760 54.9933 35.6328 174.5356 28 E 4.9516 8.9841 125.3238 54.7310 31.3669 174.7047 29 L 5.6672 8.9198 126.0127 53.0888 46.7957 175.1709 30 F 5.6897 9.1484 114.1820 55.8432 41.9517 173.5630 31 T 4.5026 8.8249 113.5871 59.4863 70.3776 173.8820 32 N 4.8756 8.8338 124.6435 53.2831 38.2800 174.8490 33 R 4.3331 7.9084 120.4568 55.4894 30.9242 177.5106 34 W 4.3647 8.9372 123.8186 59.5977 29.5345 178.0069 35 N 4.2941 8.5062 116.1886 56.7211 37.9218 176.5335 36 L 4.1485 7.9375 118.0874 56.1912 41.9029 179.0148 37 Q 2.9530 7.9056 119.3872 58.8408 28.8023 178.9256 38 S 4.2295 7.7752 113.8822 60.5276 63.3780 176.3164 39 L 3.8530 7.2581 121.5303 57.8168 41.4441 179.1469 40 L 4.3068 8.2916 119.1436 57.9521 41.5045 179.4522 41 L 4.1974 8.0935 120.1513 58.2056 42.0206 179.2483 42 S 4.1360 8.0349 114.7282 61.3282 62.8533 176.4220 43 A 4.0986 8.3284 123.7004 55.1322 17.6445 179.5164 44 Q 3.9607 8.2276 118.0700 59.4708 28.9782 178.5159 45 I 3.8287 7.9612 120.1851 64.2104 37.2922 177.7021 46 T 4.3808 7.9666 107.4857 61.1318 69.1021 175.2021 47 G 3.9092 7.6685 108.4830 46.6978 0.0000 173.9615 48 M 4.2953 7.7840 118.7135 55.5951 33.5466 175.5791 49 T 4.7300 8.1219 118.4353 62.7466 70.1704 174.4679 50 V 4.8624 8.7733 119.7083 59.7357 35.6772 174.6449 51 T 4.8248 8.3131 119.3681 61.9075 71.3579 173.1864 52 I 4.5400 8.4861 127.6338 59.6151 39.3742 174.7129 53 K 4.8073 8.2036 126.7441 55.2312 33.2596 175.8307 54 T 4.4990 8.0598 117.5112 61.3398 70.2002 173.4721 55 N 4.4100 9.0784 124.4307 55.2266 39.3561 175.8551 56 A 4.4373 7.7897 124.5948 51.0060 17.9653 177.3377 57 C 4.7923 7.5466 125.5712 54.1337 39.3958 171.6823 58 H 5.0441 7.1814 117.3030 53.4288 31.6562 173.5630 59 N 4.6905 8.6139 118.2960 55.1421 38.7017 175.9369 60 G 4.0627 9.2077 111.3412 45.2045 0.0000 173.8502 61 G 3.9504 7.5012 107.3364 45.1862 0.0000 173.5513 62 G 3.7318 8.3605 108.0401 44.8567 0.0000 172.9067 63 F 5.2249 8.1573 115.1852 55.6674 41.2745 174.9944 64 S 4.5591 8.8067 111.1121 57.3855 64.8272 173.2639 65 E 4.7798 8.2459 121.7982 54.8209 31.4680 175.0461 66 V 4.7414 8.3152 123.1138 61.2219 35.2570 173.9366 67 I 4.4185 8.5091 127.9390 59.5089 39.7936 174.3975 68 F 5.0349 8.9166 125.8808 56.0657 40.1669 176.1044 69 R 4.3476 8.6872 122.6058 56.2122 30.4829 176.0688 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 T 8.16 4.33 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 1.20 0.00 0.00 2 P 0.00 4.33 0.00 2.17 2.16 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 3 D 8.88 4.42 0.00 2.53 2.61 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 0.00 0.00 0.00 0.00 4 C 8.85 4.86 0.00 2.90 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 7.28 4.71 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 0.70 0.00 0.00 0.82 0.00 0.00 6 T 8.57 4.92 4.19 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 1.17 0.00 0.00 7 G 8.22 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.38 4.71 0.00 1.76 1.76 0.00 1.80 0.00 0.00 2.30 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.38 7.81 9 V 7.99 3.93 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 0.76 0.00 0.00 0.95 0.00 0.00 10 E 8.71 4.31 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 11 Y 7.24 5.05 0.00 3.03 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 12 T 8.62 4.99 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 13 K 8.34 4.45 0.00 1.81 1.63 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.38 7.81 14 Y 8.85 4.37 0.00 3.26 2.95 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 15 N 8.31 5.02 0.00 2.74 2.62 0.00 0.00 6.24 7.60 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 16 D 8.84 4.59 0.00 2.64 2.70 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 0.00 0.00 0.00 17 D 7.81 4.91 0.00 2.81 2.71 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 18 D 7.96 3.97 0.00 3.11 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 19 T 7.53 4.51 4.43 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 1.41 0.00 0.00 20 F 8.68 5.05 0.00 2.90 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 21 T 8.72 5.23 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 22 V 8.83 4.73 2.27 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 0.64 0.00 0.00 0.94 0.00 0.00 23 K 8.23 4.76 0.00 0.80 0.74 0.00 1.44 0.00 0.00 1.48 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.19 7.81 24 V 8.07 4.51 1.90 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 0.82 0.00 0.00 0.78 0.00 0.00 25 G 8.82 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 26 D 8.72 4.82 0.00 2.76 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 27 K 7.85 4.85 0.00 1.62 1.66 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.44 7.81 28 E 8.98 4.95 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 29 L 8.92 5.67 0.00 1.62 1.81 0.70 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.15 5.69 0.00 3.06 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 31 T 8.82 4.50 2.69 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 1.02 0.00 0.00 32 N 8.83 4.88 0.00 2.97 3.06 0.00 0.00 6.19 7.66 0.00 0.00 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 R 7.91 4.33 0.00 1.86 1.91 0.00 3.24 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 34 W 8.94 4.36 0.00 3.35 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 35 N 8.51 4.29 0.00 2.77 2.95 0.00 0.00 7.19 6.74 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 36 L 7.94 4.15 0.00 1.91 1.83 1.01 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.91 2.95 0.00 1.96 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 1.61 2.21 0.00 38 S 7.78 4.23 0.00 4.00 4.05 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 39 L 7.26 3.85 0.00 1.84 1.33 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.29 4.31 0.00 2.19 2.07 1.39 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.09 4.20 0.00 2.03 1.72 1.14 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.03 4.14 0.00 4.08 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 43 A 8.33 4.10 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 3.96 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 45 I 7.96 3.83 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.78 0.93 0.00 0.00 46 T 7.97 4.38 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 47 G 7.67 3.91 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 0.00 0.00 0.00 48 M 7.78 4.30 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 49 T 8.12 4.73 4.25 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 1.19 0.00 0.00 50 V 8.77 4.86 1.74 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 0.68 0.00 0.00 0.84 0.00 0.00 51 T 8.31 4.82 4.14 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 1.13 0.00 0.00 52 I 8.49 4.54 1.54 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.62 0.33 0.00 0.00 53 K 8.20 4.81 0.00 1.61 1.71 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.30 7.81 54 T 8.06 4.50 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 1.16 0.00 0.00 55 N 9.08 4.41 0.00 2.75 2.86 0.00 0.00 6.87 7.35 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 56 A 7.79 4.44 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.55 4.79 0.00 3.07 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 7.18 5.04 0.00 3.36 3.36 0.00 5.72 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 59 N 8.61 4.69 0.00 2.78 2.86 0.00 0.00 7.08 7.65 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 60 G 9.21 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.50 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 62 G 8.36 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.16 5.22 0.00 2.91 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 64 S 8.81 4.56 0.00 3.88 3.83 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 65 E 8.25 4.78 0.00 2.13 1.90 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 2.33 2.30 0.00 66 V 8.32 4.74 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 0.01 0.00 0.00 1.06 0.00 0.00 67 I 8.51 4.42 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.80 0.90 0.00 0.00 68 F 8.92 5.03 0.00 2.87 2.95 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 69 R 8.69 4.35 0.00 1.76 1.79 0.00 3.13 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00