NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 80 D 4.7247 8.3649 120.3325 52.9179 41.6024 175.3712 81 L 4.2984 7.4634 117.7454 51.7011 45.6249 173.0605 82 Y 4.7401 6.9910 117.7599 55.4718 41.0413 171.9186 83 P 4.5416 0.0000 0.0000 62.9800 32.1416 176.5941 84 V 4.3692 8.3650 112.0617 61.3042 33.4736 176.3294 85 T 4.5395 7.4794 110.9136 59.6956 72.0233 175.1206 86 L 3.7540 8.2244 122.6350 58.4075 41.9848 179.2719 87 W 4.1421 8.0329 118.2813 59.4268 28.9807 178.7317 88 G 3.6769 8.5272 106.1393 47.8632 0.0000 176.0682 89 R 3.9851 8.2919 120.5935 58.9470 30.1418 179.1182 90 L 3.9428 8.0528 118.9480 57.7695 41.6081 179.7208 91 V 3.6601 8.2243 118.1613 65.8094 31.3636 177.7996 92 A 4.0136 8.3122 120.9681 55.3497 18.1711 179.7647 93 V 3.5220 8.1145 116.9637 66.0318 31.4660 178.4186 94 V 3.5653 7.7751 117.8286 65.8836 31.3208 178.0816 95 V 3.5680 7.8138 117.8879 66.3909 31.4129 177.3797 96 M 4.0007 8.2136 118.5576 58.8428 31.8017 178.9678 97 V 3.5758 8.1045 117.6530 66.0092 31.6568 177.9136 98 A 4.0563 8.4279 120.9448 55.1386 18.1524 179.9358 99 G 3.4608 8.3921 104.4783 47.9976 0.0000 176.0453 100 I 3.9042 8.4469 122.8352 64.4400 37.0268 178.7454 101 T 3.9043 8.2683 116.8674 66.5945 68.3960 176.9788 102 S 3.9904 8.1446 117.1514 61.7793 62.9729 176.9320 103 F 4.4282 8.3398 120.7787 60.3596 38.5855 178.0848 104 G 3.6631 8.2160 105.7702 47.5822 0.0000 175.6525 105 L 4.0207 8.1620 122.8804 57.7001 41.9453 179.3685 106 V 3.5472 7.7360 118.0784 66.1483 31.5512 177.8987 107 T 3.8480 7.8387 115.1112 66.8942 68.3931 176.2086 108 A 4.0087 8.1191 122.0728 55.2470 18.2560 179.5509 109 A 4.0140 7.8930 119.0035 55.1194 18.5180 179.8727 110 L 3.8129 8.2149 117.6426 57.3946 41.5584 179.5839 111 A 4.0116 7.9235 121.1146 55.2834 18.4087 179.6756 112 T 3.8619 7.9560 114.2952 66.5467 68.5447 176.6131 113 W 4.3638 8.4446 130.3384 60.7215 30.8451 178.0902 114 F 4.2370 8.2191 117.7665 60.4029 38.2543 177.9092 115 V 3.7109 8.5263 118.6361 65.8230 31.2305 178.2808 116 G 3.5975 8.1286 105.4156 48.1195 0.0000 175.8264 117 R 3.9211 7.9593 121.4194 58.5903 29.7742 178.9155 118 E 3.8286 7.8291 118.2218 59.4109 29.7771 178.6998 119 Q 4.0998 7.8834 116.7298 58.4954 28.8039 178.3563 120 E 4.0709 7.7981 120.8438 59.1868 29.6703 178.4773 121 R 3.9682 8.1206 119.5825 59.1499 30.0660 177.4536 122 R 4.3617 7.4956 124.4789 58.6510 29.9370 181.0208 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 80 D 8.36 4.72 0.00 2.81 2.90 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 0.00 0.00 0.00 81 L 7.46 4.30 0.00 1.67 1.48 0.90 0.39 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 82 Y 6.99 4.74 0.00 2.99 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 83 P 0.00 4.54 0.00 2.21 2.15 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 84 V 8.37 4.37 2.14 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 0.92 0.00 0.00 0.96 0.00 0.00 85 T 7.48 4.54 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 1.26 0.00 0.00 86 L 8.22 3.75 0.00 1.60 1.48 0.61 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 87 W 8.03 4.14 0.00 3.47 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 88 G 8.53 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.29 3.99 0.00 2.00 1.96 0.00 3.21 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 90 L 8.05 3.94 0.00 1.88 1.74 0.14 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.22 3.66 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 1.06 0.00 0.00 1.12 0.00 0.00 92 A 8.31 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.11 3.52 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 0.92 0.00 0.00 94 V 7.78 3.57 2.26 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 1.05 0.00 0.00 1.01 0.00 0.00 95 V 7.81 3.57 2.25 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 1.10 0.00 0.00 1.03 0.00 0.00 96 M 8.21 4.00 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.61 0.00 97 V 8.10 3.58 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 1.11 0.00 0.00 0.94 0.00 0.00 98 A 8.43 4.06 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 99 G 8.39 3.46 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 0.00 100 I 8.45 3.90 1.98 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 1.59 0.73 0.96 0.00 0.00 101 T 8.27 3.90 4.36 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 1.20 0.00 0.00 102 S 8.14 3.99 0.00 3.62 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 4.43 0.00 3.15 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 0.00 104 G 8.22 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 0.00 0.00 0.00 105 L 8.16 4.02 0.00 1.96 1.73 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.74 3.55 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.99 0.00 0.00 107 T 7.84 3.85 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 108 A 8.12 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.89 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.21 3.81 0.00 1.69 1.25 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.92 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.96 3.86 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 1.26 0.00 0.00 113 W 8.44 4.36 0.00 3.31 3.31 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 0.00 114 F 8.22 4.24 0.00 3.20 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 0.00 115 V 8.53 3.71 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 1.04 0.00 0.00 0.98 0.00 0.00 116 G 8.13 3.60 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 0.00 0.00 0.00 117 R 7.96 3.92 0.00 1.58 1.85 0.00 3.34 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 118 E 7.83 3.83 0.00 1.92 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 2.28 2.36 0.00 119 Q 7.88 4.10 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 120 E 7.80 4.07 0.00 2.00 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 0.00 2.30 2.31 0.00 121 R 8.12 3.97 0.00 1.87 2.04 0.00 3.22 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 122 R 7.50 4.36 0.00 1.89 1.66 0.00 3.35 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00