NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2648 8.3044 120.3480 55.3311 33.2652 175.0094 2 L 4.2679 8.2219 127.6836 52.9517 41.5745 173.9217 3 I 4.1464 8.7190 127.5443 60.6420 39.0033 175.2314 4 L 4.8600 8.0895 122.3904 53.7226 45.6821 176.6611 5 T 4.4682 8.0351 117.0005 61.5807 68.5464 172.7051 6 R 4.1536 7.9792 124.2380 55.1999 31.3617 176.5139 7 K 4.1830 8.4139 124.2940 55.8155 32.8903 176.7245 8 V 3.6785 8.0896 122.0194 64.5816 31.8500 176.5681 9 G 3.9259 9.1749 115.3191 45.1846 0.0000 172.7773 10 E 4.6892 7.6218 119.1952 55.2350 32.6251 174.5562 11 S 5.1842 8.3356 114.8146 57.8407 67.6683 173.1560 12 I 4.7808 8.3829 120.6953 59.8178 41.2408 174.3936 13 N 5.5306 8.5384 118.9852 52.0150 42.7142 174.0781 14 I 4.5968 8.2540 120.1358 59.7660 42.2536 177.9018 15 G 3.8818 9.0917 114.4983 46.9332 0.0000 174.3001 16 D 4.7326 8.8851 120.0014 53.8431 43.0349 174.2690 17 D 4.8033 8.0311 113.7346 54.3813 43.8023 174.6525 18 I 4.8556 7.6517 120.5553 59.8542 40.6095 174.8092 19 T 4.9856 9.0296 121.2384 62.1700 73.1721 173.1857 20 I 4.8596 8.8753 126.8222 59.6720 38.4788 175.3159 21 T 4.5204 8.8971 123.8954 63.0889 70.4771 173.5320 22 I 4.5685 8.2434 123.0897 59.4231 39.6501 175.8217 23 L 4.0588 8.8417 131.0875 56.1195 42.4303 177.7309 24 G 4.2462 7.9940 104.8258 42.9809 0.0000 172.5243 25 V 4.1979 7.6147 113.7975 61.8593 32.3717 176.9603 26 S 4.6479 8.7234 116.4124 57.4376 64.9724 175.8349 27 G 4.0313 7.8901 115.2524 46.5908 0.0000 176.1195 28 Q 4.0674 8.8358 125.8622 57.1054 29.2059 175.1734 29 Q 4.5765 7.6213 116.4604 55.1822 30.8766 174.2793 30 V 4.6799 7.8188 117.9295 61.5745 34.8118 174.1101 31 R 4.3881 9.1240 129.2522 55.4914 30.6725 175.1544 32 I 4.6710 8.3474 127.0714 59.7012 40.1767 176.2064 33 G 3.9609 8.9261 110.8946 44.5935 0.0000 171.5458 34 I 4.4541 8.2876 128.0025 59.9968 38.2127 175.1732 35 N 4.9722 9.4806 127.1977 51.8318 40.8008 173.0401 36 A 5.1004 8.3372 126.8029 49.5155 22.8744 173.6720 37 P 4.4481 0.0000 0.0000 62.2760 32.1682 177.5343 38 K 4.2156 8.4043 117.2466 57.8214 31.8822 177.8430 39 D 4.4514 7.9531 118.5261 56.0578 41.3677 175.4006 40 V 4.5128 7.5784 110.1674 59.8271 35.6304 174.0068 41 A 4.8598 8.2505 123.0108 50.6145 21.4843 176.6276 42 V 4.3704 7.8853 118.5646 60.9388 33.7319 173.7874 43 H 4.8879 8.4482 120.7817 53.9251 33.0090 172.8689 44 R 4.4397 8.2306 117.4451 54.8601 30.7177 177.2144 45 E 3.9841 8.6717 119.0082 59.1736 29.7069 177.6924 46 E 4.4544 8.1480 113.5427 56.7202 30.3713 176.7608 47 I 4.4598 7.5087 119.5247 62.5019 40.2223 176.9879 48 Y 4.1573 8.5539 121.6644 60.8114 38.6290 177.7870 49 Q 4.2227 7.3936 115.3416 56.9522 28.8826 176.9295 50 R 4.1392 7.3817 116.8867 57.5393 30.4255 177.3580 51 I 3.8959 7.4249 119.0097 64.6983 37.3294 177.9439 52 Q 4.0516 7.8344 117.8015 57.5344 28.8420 176.2294 53 A 4.1273 7.3644 124.6875 52.3341 18.3043 177.1250 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 4.26 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 L 8.22 4.27 0.00 1.70 1.58 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.72 4.15 1.87 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 1.41 0.53 0.91 0.00 0.00 4 L 8.09 4.86 0.00 1.56 1.50 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.04 4.47 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 6 R 7.98 4.15 0.00 1.75 1.82 0.00 3.28 0.00 0.00 3.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 7 K 8.41 4.18 0.00 1.90 1.71 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.53 1.48 7.81 8 V 8.09 3.68 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 0.75 0.00 0.00 0.93 0.00 0.00 9 G 9.17 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 10 E 7.62 4.69 0.00 2.02 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 2.25 2.41 0.00 11 S 8.34 5.18 0.00 3.68 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 12 I 8.38 4.78 1.86 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 1.22 0.94 0.90 0.00 0.00 13 N 8.54 5.53 0.00 2.51 2.65 0.00 0.00 6.95 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 14 I 8.25 4.60 1.86 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 1.15 1.50 0.90 0.00 0.00 15 G 9.09 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.89 4.73 0.00 2.56 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.80 0.00 2.63 2.59 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 0.00 0.00 0.00 0.00 18 I 7.65 4.86 2.03 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 1.22 0.72 0.95 0.00 0.00 19 T 9.03 4.99 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 1.25 0.00 0.00 20 I 8.88 4.86 1.86 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 1.22 0.96 0.90 0.00 0.00 21 T 8.90 4.52 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 1.24 0.00 0.00 22 I 8.24 4.57 1.87 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 1.23 1.59 1.01 0.00 0.00 23 L 8.84 4.06 0.00 1.69 1.71 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.99 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 0.00 0.00 0.00 0.00 25 V 7.61 4.20 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 0.82 0.00 0.00 0.93 0.00 0.00 26 S 8.72 4.65 0.00 3.85 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 27 G 7.89 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 28 Q 8.84 4.07 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 29 Q 7.62 4.58 0.00 2.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 30 V 7.82 4.68 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 0.83 0.00 0.00 0.93 0.00 0.00 31 R 9.12 4.39 0.00 1.91 1.81 0.00 3.12 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 32 I 8.35 4.67 1.87 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 1.27 0.73 0.95 0.00 0.00 33 G 8.93 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.45 1.85 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 1.21 0.46 0.89 0.00 0.00 35 N 9.48 4.97 0.00 2.75 2.75 0.00 0.00 6.40 8.52 0.00 0.00 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 A 8.34 5.10 1.17 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 0.00 0.00 37 P 0.00 4.45 0.00 2.23 2.19 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 38 K 8.40 4.22 0.00 1.77 1.90 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.37 7.81 39 D 7.95 4.45 0.00 2.61 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 0.00 40 V 7.58 4.51 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 0.69 0.00 0.00 0.98 0.00 0.00 41 A 8.25 4.86 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 V 7.89 4.37 2.05 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 0.69 0.00 0.00 0.90 0.00 0.00 43 H 8.45 4.89 0.00 3.15 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.23 4.44 0.00 2.01 2.09 0.00 3.02 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 45 E 8.67 3.98 0.00 2.06 2.02 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 2.42 2.37 0.00 46 E 8.15 4.45 0.00 2.13 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 0.00 2.29 2.35 0.00 47 I 7.51 4.46 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.34 1.01 0.00 0.00 48 Y 8.55 4.16 0.00 3.00 3.07 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 49 Q 7.39 4.22 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 50 R 7.38 4.14 0.00 1.78 2.05 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 51 I 7.42 3.90 1.81 0.00 0.00 0.81 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 1.11 0.85 0.00 0.00 52 Q 7.83 4.05 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 53 A 7.36 4.13 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