NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7679 8.3544 109.7364 44.5960 0.0000 173.6777 2 S 4.2131 7.7650 125.9765 55.3845 61.9930 171.9746 3 S 4.7845 8.5102 122.0465 56.3096 65.3734 172.3740 4 G 4.2249 8.1959 112.4412 43.9952 0.0000 170.3293 5 S 4.6107 7.9007 112.1659 57.4064 65.6389 172.3499 6 S 4.6348 8.2649 111.0410 57.8279 65.5712 174.1874 7 G 3.7888 8.1480 119.4349 45.0018 0.0000 174.9805 8 I 3.9475 8.4739 129.9447 60.7654 36.4644 175.0575 9 E 4.6154 8.4273 124.7896 54.4327 31.6776 175.4128 10 K 4.6988 8.1907 119.9081 55.2008 35.2532 174.4742 11 C 4.7062 8.7327 120.9357 60.6123 31.3584 174.4342 12 W 4.9896 7.8498 116.6700 54.3258 32.7935 175.5230 13 T 4.4709 8.5161 113.6218 60.5249 71.4093 176.0219 14 E 4.0456 8.4884 119.5629 59.5290 29.4171 179.1886 15 D 4.3712 8.0563 118.4256 57.4245 40.9114 178.3747 16 E 4.0310 7.8977 119.0781 59.5060 29.4795 179.5974 17 V 3.5106 7.7281 117.5429 65.8809 31.5845 177.5800 18 K 3.8859 8.2620 119.3959 59.8879 31.9296 178.6764 19 R 3.9414 8.2283 118.0204 59.1939 29.9284 178.5219 20 F 4.0522 8.5849 120.7173 61.4944 39.2580 177.2877 21 V 3.2939 8.1080 117.4922 65.9304 31.2853 177.6931 22 K 3.9043 8.2704 119.5068 59.6297 31.8551 178.9126 23 G 3.6343 8.4333 106.2953 47.6665 0.0000 175.6220 24 L 3.8712 7.9320 122.8926 57.3608 41.7210 179.0150 25 R 4.0702 7.8065 117.3962 58.4864 30.4398 178.6086 26 Q 3.9629 8.0272 117.2250 59.8325 28.9258 177.4193 27 Y 4.3006 8.3575 117.7033 55.9147 38.4130 176.2523 28 G 4.2116 8.1044 109.8962 44.6495 0.0000 177.4133 29 K 3.6956 8.2014 125.1474 54.0965 30.9207 175.6964 30 N 4.4124 6.9801 124.2668 50.6460 40.4379 175.9603 31 F 4.4264 7.0604 119.4092 60.7886 38.9153 176.7994 32 F 4.0036 8.3679 119.8714 61.2212 39.1509 176.6690 33 R 4.2228 7.8633 116.8192 58.6511 30.3869 177.8384 34 I 3.4161 7.8420 120.0301 64.6047 37.2242 178.3523 35 R 3.9500 8.4395 119.7290 59.2007 29.7390 178.4003 36 K 4.0021 7.4549 118.7753 58.8956 32.1609 177.6535 37 E 4.4377 7.8921 117.0146 58.0679 30.4149 176.8264 38 L 4.4061 8.2240 119.0727 54.2204 43.2947 177.0568 39 L 4.7474 7.9338 118.2960 52.5080 41.8060 175.8352 40 P 4.3658 0.0000 0.0000 64.6974 32.1365 178.1553 41 N 4.4064 7.9578 116.8109 55.5139 39.2562 174.9144 42 K 4.2532 7.3745 117.0296 55.5924 33.9013 175.3187 43 E 4.7244 8.1781 118.0809 54.7690 31.8798 177.3342 44 T 3.9744 8.6612 113.5856 65.0582 68.3411 176.5170 45 G 3.7921 8.1647 107.7951 47.9214 0.0000 175.0501 46 E 4.1812 8.1144 120.7607 59.1355 29.4938 179.6020 47 L 4.0350 8.0079 118.2479 57.9608 41.7880 179.0415 48 I 3.6957 7.9764 119.8368 65.0254 37.0642 178.4137 49 T 4.0931 8.3184 116.1683 66.7995 68.3866 176.2510 50 F 3.9606 8.4374 122.5562 61.4478 39.1622 176.4965 51 Y 4.2841 8.3843 119.2817 61.0780 38.5725 177.5132 52 Y 3.9634 8.1312 117.7502 61.3669 37.7582 178.2654 53 Y 3.8576 8.1760 119.4850 60.3158 39.0034 177.3133 54 W 3.9851 8.3242 128.7716 59.8683 30.7589 177.5295 55 K 3.8850 8.1452 119.3455 56.1190 32.9997 175.6029 56 K 3.4717 7.6353 118.8175 56.3348 29.0826 175.2642 57 T 3.8988 8.0370 116.7702 64.6964 67.8549 175.7633 58 S 3.9673 7.9287 115.3239 61.2185 63.2062 175.4466 59 G 3.7812 7.2879 106.5473 42.7879 0.0000 170.7883 60 P 4.2904 0.0000 0.0000 62.6598 31.7161 175.7278 61 S 4.7595 8.1413 116.6521 55.8324 66.2399 173.6187 62 S 4.2924 8.4343 116.0189 59.1287 62.9711 174.8060 63 G 3.6945 8.2079 108.7977 46.0578 0.0000 172.6291 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 3.77 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 2 S 7.77 4.21 0.00 3.92 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 3 S 8.51 4.78 0.00 3.84 3.70 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 4 G 8.20 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 0.00 0.00 0.00 0.00 5 S 7.90 4.61 0.00 3.77 3.72 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 6 S 8.26 4.63 0.00 3.80 3.66 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 0.00 0.00 0.00 0.00 7 G 8.15 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.47 3.95 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 1.42 0.46 0.91 0.00 0.00 9 E 8.43 4.62 0.00 1.94 1.87 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 2.22 2.21 0.00 10 K 8.19 4.70 0.00 1.62 1.57 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.40 7.81 11 C 8.73 4.71 0.00 3.08 3.06 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 12 W 7.85 4.99 0.00 3.05 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 13 T 8.52 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 1.16 0.00 0.00 14 E 8.49 4.05 0.00 2.03 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 0.00 2.45 2.38 0.00 15 D 8.06 4.37 0.00 2.77 2.73 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 16 E 7.90 4.03 0.00 2.15 2.20 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 2.17 2.26 0.00 17 V 7.73 3.51 2.30 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 1.15 0.00 0.00 1.01 0.00 0.00 18 K 8.26 3.89 0.00 2.12 1.85 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.55 7.81 19 R 8.23 3.94 0.00 2.22 2.05 0.00 3.25 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 20 F 8.58 4.05 0.00 3.19 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 21 V 8.11 3.29 2.22 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 1.06 0.00 0.00 1.01 0.00 0.00 22 K 8.27 3.90 0.00 1.92 1.98 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.45 7.81 23 G 8.43 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 0.00 0.00 0.00 0.00 24 L 7.93 3.87 0.00 1.12 1.42 0.75 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.81 4.07 0.00 1.82 1.93 0.00 3.23 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 26 Q 8.03 3.96 0.00 1.88 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 27 Y 8.36 4.30 0.00 3.04 2.78 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 28 G 8.10 4.21 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 0.00 29 K 8.20 3.70 0.00 1.60 1.55 0.00 1.78 0.00 0.00 1.30 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.29 7.81 30 N 6.98 4.41 0.00 2.60 2.49 0.00 0.00 6.97 7.63 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 31 F 7.06 4.43 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.37 4.00 0.00 3.11 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 33 R 7.86 4.22 0.00 1.87 1.64 0.00 3.22 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 34 I 7.84 3.42 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.43 0.94 0.00 0.00 35 R 8.44 3.95 0.00 1.92 2.13 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 36 K 7.45 4.00 0.00 2.14 1.92 0.00 1.94 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.51 7.81 37 E 7.89 4.44 0.00 1.99 2.01 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 2.34 2.44 0.00 38 L 8.22 4.41 0.00 1.76 1.66 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.93 4.75 0.00 1.70 1.49 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.37 0.00 2.18 2.33 0.00 3.80 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 1.98 1.95 0.00 41 N 7.96 4.41 0.00 2.64 2.81 0.00 0.00 6.99 6.65 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 42 K 7.37 4.25 0.00 1.76 1.57 0.00 1.27 0.00 0.00 1.41 0.00 0.00 2.84 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.30 1.21 7.81 43 E 8.18 4.72 0.00 1.97 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 0.00 2.24 2.20 0.00 44 T 8.66 3.97 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 0.94 0.00 0.00 45 G 8.16 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.11 4.18 0.00 2.25 2.32 0.00 0.00 0.00 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 2.34 0.00 47 L 8.01 4.04 0.00 1.92 1.55 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.98 3.70 2.15 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.87 1.23 0.00 0.00 49 T 8.32 4.09 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 50 F 8.44 3.96 0.00 2.69 2.63 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 51 Y 8.38 4.28 0.00 3.03 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 52 Y 8.13 3.96 0.00 3.34 2.92 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 53 Y 8.18 3.86 0.00 3.04 2.86 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 0.00 0.00 0.00 54 W 8.32 3.99 0.00 2.58 3.17 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 55 K 8.15 3.89 0.00 1.63 1.61 0.00 1.87 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.26 7.81 56 K 7.64 3.47 0.00 1.72 1.57 0.00 1.50 0.00 0.00 1.32 0.00 0.00 2.48 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.04 1.05 7.81 57 T 8.04 3.90 4.21 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 1.14 0.00 0.00 58 S 7.93 3.97 0.00 3.94 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 59 G 7.29 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 0.00 0.00 0.00 60 P 0.00 4.29 0.00 2.14 2.00 0.00 3.63 0.00 0.00 3.56 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 61 S 8.14 4.76 0.00 3.80 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 62 S 8.43 4.29 0.00 3.95 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 63 G 8.21 3.69 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 0.00 0.00 0.00