NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 78 R 4.2913 8.1014 117.2803 56.2002 31.4120 176.6002 79 G 3.7159 7.9020 103.5815 44.7547 0.0000 173.5419 80 R 3.9621 7.7816 121.7131 58.8860 30.5100 176.7733 81 S 4.0815 7.7321 112.9196 61.6191 63.1060 176.5257 82 A 4.1095 7.9462 124.5550 53.8607 18.1066 179.3880 83 S 4.1068 7.7923 111.9528 61.6081 62.6389 176.0597 84 N 4.4501 8.5367 119.3103 55.7438 38.2261 177.2728 85 E 3.9088 8.3162 121.1884 59.2348 29.7555 178.4570 86 F 4.0807 8.0836 120.3011 61.3878 39.5123 176.8795 87 L 4.0198 8.3936 119.8833 57.8791 41.6837 178.5330 88 N 4.3490 8.1008 117.2648 56.5819 38.9537 177.0359 89 I 3.6515 7.7523 121.2224 64.0801 37.1328 178.1141 90 W 3.9480 8.2809 129.6796 60.3531 30.3488 178.1067 91 G 3.8904 8.3761 105.7143 47.8873 0.0000 175.8759 92 G 3.5581 7.8849 108.0828 47.6430 0.0000 175.8889 93 Q 3.8687 7.8880 120.6267 58.5456 28.5562 178.2117 94 Y 3.5065 7.7177 120.9154 60.5577 38.6672 177.7524 95 N 4.0183 8.2430 117.6069 56.4746 38.7429 176.7726 96 H 4.0623 8.2276 119.6943 59.6044 29.8978 177.5254 97 T 3.6001 7.5196 117.4235 66.4496 68.2912 177.0790 98 V 3.0637 7.3046 120.3492 65.8162 31.3600 178.0748 99 Q 3.8003 7.9377 118.0639 59.1455 28.4884 178.9728 100 T 3.7651 7.5616 116.4617 66.3694 68.4403 176.6745 101 L 3.6305 7.5581 120.8506 57.8339 41.6534 179.6700 102 F 4.5911 8.0378 117.3657 60.6265 38.8377 177.6141 103 A 4.0756 8.2942 120.5670 55.1223 18.1218 179.7425 104 L 3.9503 7.8904 117.6147 57.8263 41.6423 179.6585 105 F 4.6116 8.0455 117.8168 60.6318 38.7702 177.8729 106 K 4.0198 8.3538 118.1357 59.4008 31.8816 179.2825 107 K 3.9143 8.1937 119.8981 59.3847 32.0461 178.6372 108 L 4.0122 8.0014 120.7377 58.0547 42.0138 179.0821 109 K 4.0271 8.2955 118.5891 59.2019 31.8640 179.1621 110 L 3.9221 8.3015 121.0939 58.3399 42.0321 178.4587 111 H 4.0969 8.2056 118.1817 59.4683 29.7967 177.0367 112 N 4.2953 8.3365 118.0492 56.0978 38.2731 177.3622 113 A 3.9089 8.1945 122.3872 55.4648 18.5212 179.6577 114 M 3.9501 8.2283 117.4283 58.3239 31.9419 179.0318 115 R 3.7880 7.8338 119.0395 59.1270 30.2607 178.3401 116 L 3.6014 7.6814 120.1029 58.1985 42.0725 179.0350 117 I 3.6298 7.7120 119.8051 64.3242 37.0092 178.6641 118 K 4.0397 8.1118 119.3544 59.3159 31.8391 179.2636 119 D 4.3951 8.0614 119.4260 57.5551 40.6826 178.4145 120 Y 4.3645 8.1088 117.3256 61.0350 37.8593 178.5783 121 V 3.6351 8.0834 119.2712 66.1332 31.7629 177.9137 122 S 4.1611 8.1814 112.8277 61.4410 61.9664 175.7607 123 E 3.9089 8.0877 120.8542 59.3440 29.5162 178.2075 124 D 4.5371 8.3725 119.0302 57.5605 40.9753 178.8993 125 L 4.4892 8.3075 119.2617 57.9266 41.0902 179.1030 126 H 4.2514 8.3981 116.1694 57.8478 28.3596 176.7578 127 K 4.2215 7.3547 117.3564 57.5481 32.8504 176.7248 128 Y 4.6387 7.6143 116.7225 57.9802 38.5463 175.7952 129 I 4.0818 7.3386 126.1302 61.4206 37.3689 175.4196 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 78 R 8.10 4.29 0.00 2.01 2.26 0.00 2.93 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 79 G 7.90 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 0.00 0.00 0.00 80 R 7.78 3.96 0.00 1.89 1.94 0.00 3.19 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 81 S 7.73 4.08 0.00 4.15 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.95 4.11 1.35 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 0.00 0.00 83 S 7.79 4.11 0.00 3.88 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 0.00 84 N 8.54 4.45 0.00 2.94 2.88 0.00 0.00 6.70 8.31 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 85 E 8.32 3.91 0.00 2.27 2.17 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 2.35 2.41 0.00 86 F 8.08 4.08 0.00 3.29 3.22 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 87 L 8.39 4.02 0.00 2.14 1.71 0.96 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.10 4.35 0.00 3.09 2.80 0.00 0.00 7.10 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.75 3.65 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 1.68 0.70 0.85 0.00 0.00 90 W 8.28 3.95 0.00 2.81 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 91 G 8.38 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 92 G 7.88 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 7.89 3.87 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 94 Y 7.72 3.51 0.00 1.52 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 95 N 8.24 4.02 0.00 2.85 2.77 0.00 0.00 6.71 8.92 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 96 H 8.23 4.06 0.00 3.15 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.52 3.60 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 0.99 0.00 0.00 98 V 7.30 3.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 -0.11 0.00 0.00 99 Q 7.94 3.80 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 100 T 7.56 3.77 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 1.08 0.00 0.00 101 L 7.56 3.63 0.00 1.53 1.40 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 102 F 8.04 4.59 0.00 3.09 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 0.00 103 A 8.29 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.89 3.95 0.00 1.62 1.60 0.78 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.05 4.61 0.00 3.27 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 0.00 106 K 8.35 4.02 0.00 2.03 1.89 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.67 7.81 107 K 8.19 3.91 0.00 1.93 2.02 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 108 L 8.00 4.01 0.00 1.99 1.93 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.30 4.03 0.00 1.98 1.84 0.00 1.68 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.66 7.81 110 L 8.30 3.92 0.00 1.80 1.89 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 111 H 8.21 4.10 0.00 3.38 3.47 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.34 4.30 0.00 2.91 2.82 0.00 0.00 6.94 7.28 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 0.00 113 A 8.19 3.91 1.32 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 0.00 0.00 0.00 0.00 0.00 114 M 8.23 3.95 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.81 0.00 115 R 7.83 3.79 0.00 1.88 1.98 0.00 3.08 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 116 L 7.68 3.60 0.00 1.69 1.66 0.37 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.71 3.63 1.81 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 1.48 0.49 0.91 0.00 0.00 118 K 8.11 4.04 0.00 1.78 1.84 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.63 7.81 119 D 8.06 4.40 0.00 2.79 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 0.00 120 Y 8.11 4.36 0.00 3.08 2.96 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 0.00 121 V 8.08 3.64 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.05 0.00 0.00 122 S 8.18 4.16 0.00 4.05 4.08 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 0.00 123 E 8.09 3.91 0.00 2.15 2.17 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 2.28 2.32 0.00 124 D 8.37 4.54 0.00 3.02 2.83 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 0.00 125 L 8.31 4.49 0.00 1.82 1.83 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 126 H 8.40 4.25 0.00 3.42 3.37 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.35 4.22 0.00 1.68 1.73 0.00 1.33 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.14 0.44 7.81 128 Y 7.61 4.64 0.00 3.10 2.96 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 0.00 129 I 7.34 4.08 1.96 0.00 0.00 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 1.36 0.74 0.88 0.00 0.00