NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3138 8.2649 123.5823 51.9401 19.9377 176.5387 4 E 4.2142 8.5562 122.0609 55.0879 30.6385 174.3787 5 I 4.3048 8.0702 120.3214 59.8837 42.0108 173.4285 6 N 4.7120 8.5154 126.2365 51.1417 38.6822 173.1844 7 P 4.1795 0.0000 0.0000 65.1481 31.6446 178.2595 8 L 4.1872 8.1879 117.5793 57.0506 41.8546 177.5910 9 H 4.6895 8.2052 114.0424 57.1197 30.4948 175.8482 10 A 3.6484 7.8143 124.9583 50.3729 17.0005 177.4691 11 Y 4.1305 7.3625 120.0380 58.6942 38.7463 178.3789 12 F 4.1850 5.9995 113.6116 57.3759 38.4758 175.2234 13 K 4.3367 6.8448 122.9587 54.4746 31.7372 175.0833 14 L 4.3297 8.0395 125.4216 53.0026 42.6595 175.6989 15 P 4.4140 0.0000 0.0000 63.0138 31.7817 175.9517 16 N 5.0840 8.6083 117.3200 52.5358 37.9262 174.0365 17 T 4.7667 7.5875 113.3549 62.5135 72.6236 173.6064 18 V 4.5029 8.1092 122.5798 60.1741 34.3194 174.7196 19 S 4.6792 8.5434 118.8942 56.5592 65.9751 173.1981 20 L 4.5587 8.4417 124.6249 53.5116 42.6867 176.3720 21 V 4.5435 7.9691 115.1338 59.9373 35.5406 174.3652 22 A 4.5493 7.8476 121.9073 51.7255 21.6922 175.6152 23 G 3.9441 8.0326 107.5779 45.4030 0.0000 172.7215 24 S 4.6396 8.4406 113.2715 57.0319 66.1451 173.4076 25 S 4.4600 7.9434 112.3306 57.8435 64.6791 174.9084 26 E 4.4726 8.6430 126.3191 55.6061 30.6828 175.3737 27 G 4.1646 7.7986 108.9249 44.8495 0.0000 173.7352 28 E 4.1390 8.8301 120.2806 58.4066 30.0134 177.6263 29 T 4.7787 7.4400 107.7475 58.3064 73.3693 172.7972 30 P 4.2461 0.0000 0.0000 65.7593 31.3323 178.7986 31 L 4.0216 7.8602 118.6067 58.2647 42.0497 178.5968 32 N 4.4752 8.3917 116.3108 56.0777 38.4338 177.3708 33 A 3.9817 8.2976 122.4700 54.9833 18.5124 179.3484 34 F 4.0907 8.5102 119.4425 61.5332 39.5587 176.6326 35 D 4.3501 8.9212 118.0522 57.5498 40.9766 178.6589 36 G 3.6717 8.6430 107.2966 47.1203 0.0000 175.5716 37 A 3.9698 7.9540 123.0367 54.8009 18.2547 179.7822 38 L 3.7552 7.5880 117.6869 57.7697 41.6360 179.6814 39 L 3.9121 7.7223 118.8106 57.8507 41.3726 179.1111 40 N 4.2643 8.1001 115.5261 56.3503 38.9127 176.1608 41 A 4.4489 7.1213 122.0923 52.1120 18.8071 178.3114 42 G 3.9181 8.2464 105.2558 45.3562 0.0000 173.4444 43 I 4.5527 7.6342 118.9469 60.4684 38.4522 176.6032 44 G 3.7637 8.2477 108.3027 46.6921 0.0000 174.7356 45 N 4.9963 8.0135 116.8677 53.0454 39.3093 174.3019 46 V 4.4406 7.5900 109.5692 59.5414 35.3700 175.1175 47 N 4.6989 8.4620 118.6741 51.8189 38.4870 175.1815 48 L 4.1654 8.4355 124.4867 54.1070 42.2461 176.8898 49 I 4.2005 8.1052 125.4217 59.1971 37.1593 175.4886 50 R 3.9938 8.5252 126.8614 56.1322 30.4512 175.7219 51 I 4.5583 8.1900 118.6740 59.1776 39.8793 175.6259 52 S 4.2008 8.2917 115.7403 58.7111 63.0171 173.6904 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 3 A 8.26 4.31 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 4 E 8.56 4.21 0.00 2.05 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 2.29 2.36 0.00 5 I 8.07 4.30 1.85 0.00 0.00 0.78 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 0.54 0.89 0.00 0.00 6 N 8.52 4.71 0.00 2.69 2.64 0.00 0.00 7.21 7.71 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 7 P 0.00 4.18 0.00 2.05 2.07 0.00 3.69 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 2.00 2.07 0.00 8 L 8.19 4.19 0.00 1.72 1.74 0.89 0.91 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 9 H 8.21 4.69 0.00 3.23 3.34 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.81 3.65 0.88 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 11 Y 7.36 4.13 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 12 F 6.00 4.19 0.00 2.96 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 13 K 6.84 4.34 0.00 1.62 1.53 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.38 7.81 14 L 8.04 4.33 0.00 1.66 1.57 0.94 1.12 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 15 P 0.00 4.41 0.00 2.03 1.97 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 16 N 8.61 5.08 0.00 2.75 2.83 0.00 0.00 5.86 7.71 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 17 T 7.59 4.77 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 18 V 8.11 4.50 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 19 S 8.54 4.68 0.00 3.82 3.76 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 20 L 8.44 4.56 0.00 1.62 1.59 0.92 0.87 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 21 V 7.97 4.54 2.18 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 0.71 0.00 0.00 0.91 0.00 0.00 22 A 7.85 4.55 1.20 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 23 G 8.03 3.94 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 0.00 0.00 0.00 24 S 8.44 4.64 0.00 3.95 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.94 4.46 0.00 3.78 3.82 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 26 E 8.64 4.47 0.00 1.95 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 0.00 2.25 2.36 0.00 27 G 7.80 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.83 4.14 0.00 1.98 2.03 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 2.32 2.30 0.00 29 T 7.44 4.78 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 1.22 0.00 0.00 30 P 0.00 4.25 0.00 2.17 2.14 0.00 3.60 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 2.11 2.15 0.00 31 L 7.86 4.02 0.00 1.76 1.69 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.39 4.48 0.00 3.03 2.87 0.00 0.00 6.92 6.72 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 33 A 8.30 3.98 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.51 4.09 0.00 3.19 3.28 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 35 D 8.92 4.35 0.00 2.96 2.87 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 36 G 8.64 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 0.00 0.00 0.00 37 A 7.95 3.97 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 38 L 7.59 3.76 0.00 1.68 1.72 0.72 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.72 3.91 0.00 1.84 1.68 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.10 4.26 0.00 2.78 2.96 0.00 0.00 7.25 7.51 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 41 A 7.12 4.45 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.25 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 0.00 0.00 0.00 43 I 7.63 4.55 1.84 0.00 0.00 0.84 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 0.98 0.91 0.00 0.00 44 G 8.25 3.76 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 0.00 0.00 0.00 45 N 8.01 5.00 0.00 2.68 2.79 0.00 0.00 6.72 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.59 4.44 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 0.74 0.00 0.00 0.98 0.00 0.00 47 N 8.46 4.70 0.00 2.70 2.78 0.00 0.00 6.95 7.85 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 48 L 8.44 4.17 0.00 1.70 1.66 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.11 4.20 1.87 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 1.30 0.54 0.91 0.00 0.00 50 R 8.53 3.99 0.00 1.79 1.85 0.00 3.22 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 51 I 8.19 4.56 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 1.48 0.81 0.97 0.00 0.00 52 S 8.29 4.20 0.00 3.93 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 0.00