NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.3711 8.1627 120.6113 55.3912 34.2034 173.9189 102 L 5.0331 8.5635 127.4203 51.7517 43.1257 173.6795 103 I 4.5316 9.2407 121.5202 59.0109 41.4129 174.1021 104 K 5.0943 8.3148 122.5772 54.7051 34.9072 175.8030 105 V 4.4406 8.4913 125.7746 58.9132 31.8997 173.8779 106 K 3.8759 8.5951 129.3839 57.7052 33.2598 176.4578 107 T 4.3236 8.4931 122.9540 61.6579 68.9681 173.9668 108 L 4.5493 8.3904 124.0218 55.5339 41.1619 177.1086 109 T 4.5828 7.3622 104.8544 60.8168 69.5883 174.1654 110 G 4.1428 8.0079 107.9879 46.9687 0.0000 175.7001 111 K 3.7994 7.5839 122.7446 58.2409 32.1613 173.6826 112 E 3.5735 8.1621 126.1628 55.7723 27.0764 172.6065 113 I 4.4654 7.6861 118.3119 59.1487 40.5037 174.0301 114 E 4.9944 8.5745 124.2518 55.0118 31.4164 174.9568 115 I 4.7329 9.2974 126.3978 59.7343 42.2003 174.0568 116 D 5.2227 8.6623 124.4397 53.1204 41.7760 176.1115 117 I 4.6659 8.8222 124.6158 59.5845 41.1005 174.9408 118 E 4.5258 8.8412 125.9472 54.1855 31.0418 175.7115 119 P 4.6658 0.0000 0.0000 61.9547 30.8673 176.7669 120 T 4.7202 9.8449 107.6128 62.3551 72.1926 173.0157 121 D 4.4834 8.0872 122.4100 54.0834 41.4751 175.9931 122 K 4.3996 8.6316 123.7171 56.6766 33.0310 177.8223 123 V 3.5799 9.2830 122.5004 66.4800 30.8345 177.9774 124 E 3.8448 8.2986 118.2777 59.7764 29.2463 178.8996 125 R 3.9530 8.1235 118.3563 59.2683 29.8247 178.2423 126 I 3.6983 7.9059 119.8789 64.4409 36.9597 178.5589 127 K 3.9951 7.9246 118.6956 59.5109 31.9805 179.0093 128 E 3.9867 7.7954 118.0891 59.5235 29.1708 179.7166 129 R 3.8939 8.1189 118.1443 59.0876 30.0828 179.3104 130 V 3.5342 7.4030 117.6623 66.0591 31.5491 177.6988 131 E 4.0756 8.5173 119.4568 59.1363 29.1224 178.4329 132 E 3.8966 8.1883 118.9265 59.3011 29.8549 178.6380 133 K 4.1942 7.7205 116.7131 58.1416 32.3607 178.1280 134 E 4.6326 8.7589 116.7878 54.8807 31.2578 176.6338 135 G 3.7220 8.2230 106.7555 46.3461 0.0000 173.9538 136 I 4.1231 7.5956 121.3480 58.4298 36.8642 173.5891 137 P 4.3115 0.0000 0.0000 62.2990 31.9285 175.9654 138 P 4.2871 0.0000 0.0000 65.6495 31.7134 178.3625 139 Q 4.0247 8.3250 116.5938 58.7155 28.6234 178.5650 140 Q 4.6708 7.6593 113.8457 56.1403 29.1976 175.2236 141 Q 4.6147 7.7748 116.4956 55.3321 31.4600 176.2236 142 R 4.5052 8.1306 119.6195 54.3792 33.1829 174.3992 143 L 4.8011 8.3118 124.1066 54.4772 43.8035 176.5748 144 I 4.7041 8.6412 122.2295 60.2346 41.2655 173.4477 145 Y 4.7709 8.5456 129.8062 56.7118 40.0004 176.3428 146 S 3.2956 9.5038 117.0452 59.5216 60.9197 170.1685 147 G 3.9997 7.6513 119.1266 46.3490 0.0000 171.4834 148 K 3.8222 7.6340 118.1876 56.3058 32.8078 175.6931 149 Q 4.8448 8.4433 120.8303 54.4418 29.9950 175.1737 150 M 3.0685 7.7810 124.0476 55.8882 32.8788 175.5517 151 N 4.8498 9.7827 123.1655 51.4809 40.5753 175.9938 152 D 4.7819 8.8243 123.8588 53.8882 38.8135 176.3808 153 E 4.5346 8.6704 121.3787 56.6610 31.8116 175.8958 154 K 4.4551 7.7897 117.5799 55.4407 34.5280 174.9061 155 T 5.0169 8.4575 112.5537 60.3162 70.2861 175.0779 156 A 4.0032 8.5682 129.2922 55.5954 18.8558 180.2766 157 A 4.0319 8.1213 118.0224 55.3559 18.7289 179.0737 158 D 4.4257 8.0718 115.2300 57.3841 40.9082 177.3968 159 Y 4.5425 7.9271 113.2456 57.1667 38.1645 175.4662 160 K 3.9663 8.5947 118.2113 57.4090 29.9853 175.9022 161 I 3.6611 7.7289 120.4336 61.1272 37.3741 175.8739 162 L 4.7585 8.1407 124.2976 53.9850 46.6821 177.5219 163 G 3.9216 8.4510 110.6485 47.0539 0.0000 175.0402 164 G 3.9415 8.4885 107.6702 45.3257 0.0000 173.4173 165 S 4.4783 7.7628 114.7473 57.9016 64.9144 173.8448 166 V 4.5010 8.4996 122.7149 61.6912 32.6607 174.7784 167 L 4.9219 8.8973 128.0946 53.4960 44.6484 175.0311 168 H 5.3709 8.6978 118.7059 53.9421 31.8080 173.3593 169 L 4.8479 8.6641 123.9430 54.7725 42.3984 176.4950 170 V 4.6144 8.3702 121.2925 60.8936 35.0558 173.5738 171 L 4.4459 8.2344 119.8843 53.9507 44.6353 173.6422 172 A 4.8259 8.3920 125.6623 50.1999 21.5075 175.7952 173 L 4.8633 8.1702 120.5893 53.0208 44.8793 177.2643 174 R 4.0267 8.7198 121.3461 59.1099 30.3986 177.5843 175 G 3.8543 7.9524 104.3695 45.7472 0.0000 173.4155 176 G 3.7471 8.2247 106.8925 46.2883 0.0000 173.5565 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 101 M 8.16 4.37 0.00 2.43 1.98 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 102 L 8.56 5.03 0.00 1.71 1.55 1.01 0.79 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 0.00 103 I 9.24 4.53 1.78 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 1.15 0.57 0.86 0.00 0.00 104 K 8.31 5.09 0.00 1.64 1.70 0.00 1.60 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.32 7.81 105 V 8.49 4.44 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 0.63 0.00 0.00 0.90 0.00 0.00 106 K 8.60 3.88 0.00 1.76 1.71 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.40 7.81 107 T 8.49 4.32 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 1.25 0.00 0.00 108 L 8.39 4.55 0.00 1.63 1.63 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.36 4.58 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 0.00 110 G 8.01 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 0.00 0.00 0.00 0.00 111 K 7.58 3.80 0.00 1.92 1.85 0.00 1.90 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.38 7.81 112 E 8.16 3.57 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 113 I 7.69 4.47 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 1.33 0.62 0.92 0.00 0.00 114 E 8.57 4.99 0.00 1.98 1.85 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 2.20 2.30 0.00 115 I 9.30 4.73 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 0.89 0.00 0.00 116 D 8.66 5.22 0.00 2.54 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 0.00 117 I 8.82 4.67 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.57 0.93 0.00 0.00 118 E 8.84 4.53 0.00 2.19 1.85 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 2.25 2.40 0.00 119 P 0.00 4.67 0.00 2.03 2.08 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 120 T 9.84 4.72 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 1.26 0.00 0.00 121 D 8.09 4.48 0.00 2.82 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 0.00 122 K 8.63 4.40 0.00 1.83 1.77 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.45 7.81 123 V 9.28 3.58 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 1.03 0.00 0.00 1.20 0.00 0.00 124 E 8.30 3.84 0.00 2.38 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 125 R 8.12 3.95 0.00 1.93 1.97 0.00 3.35 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 126 I 7.91 3.70 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.97 0.86 0.00 0.00 127 K 7.92 4.00 0.00 1.98 1.84 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.51 7.81 128 E 7.80 3.99 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 129 R 8.12 3.89 0.00 2.01 1.96 0.00 3.28 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 130 V 7.40 3.53 2.33 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 1.01 0.00 0.00 0.91 0.00 0.00 131 E 8.52 4.08 0.00 2.18 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 2.30 2.32 0.00 132 E 8.19 3.90 0.00 2.13 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 0.00 2.32 2.35 0.00 133 K 7.72 4.19 0.00 1.71 1.84 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.46 7.81 134 E 8.76 4.63 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 135 G 8.22 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 0.00 136 I 7.60 4.12 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 1.41 0.63 0.96 0.00 0.00 137 P 0.00 4.31 0.00 2.16 2.03 0.00 3.61 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 138 P 0.00 4.29 0.00 2.17 2.11 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 139 Q 8.33 4.02 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.55 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 140 Q 7.66 4.67 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 141 Q 7.77 4.61 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.40 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.61 0.00 142 R 8.13 4.51 0.00 1.82 1.81 0.00 3.28 0.00 0.00 3.33 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 143 L 8.31 4.80 0.00 1.52 1.50 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.64 4.70 2.00 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 1.10 0.63 0.91 0.00 0.00 145 Y 8.55 4.77 0.00 2.79 2.79 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 0.00 146 S 9.50 3.30 0.00 3.85 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.65 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 0.00 0.00 0.00 148 K 7.63 3.82 0.00 2.06 1.98 0.00 1.85 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.57 7.81 149 Q 8.44 4.84 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 150 M 7.78 3.07 0.00 1.68 1.87 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.31 0.00 151 N 9.78 4.85 0.00 2.90 2.89 0.00 0.00 6.58 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 8.82 4.78 0.00 2.84 2.76 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 0.00 153 E 8.67 4.53 0.00 1.91 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 2.21 2.29 0.00 154 K 7.79 4.46 0.00 2.01 1.80 0.00 1.33 0.00 0.00 1.32 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.42 7.81 155 T 8.46 5.02 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 1.39 0.00 0.00 156 A 8.57 4.00 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 0.00 157 A 8.12 4.03 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 0.00 158 D 8.07 4.43 0.00 2.79 2.40 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 0.00 159 Y 7.93 4.54 0.00 2.99 3.13 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 0.00 0.00 0.00 0.00 160 K 8.59 3.97 0.00 2.07 2.05 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.46 7.81 161 I 7.73 3.66 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.49 0.63 0.00 0.00 162 L 8.14 4.76 0.00 1.70 1.50 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.45 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 0.00 164 G 8.49 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 0.00 165 S 7.76 4.48 0.00 3.97 4.17 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 0.00 166 V 8.50 4.50 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 0.71 0.00 0.00 0.96 0.00 0.00 167 L 8.90 4.92 0.00 1.53 1.50 0.79 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 168 H 8.70 5.37 0.00 3.14 3.18 0.00 5.81 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.66 4.85 0.00 1.44 1.59 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.37 4.61 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.93 0.00 0.00 171 L 8.23 4.45 0.00 1.56 1.52 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.39 4.83 1.21 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 0.00 173 L 8.17 4.86 0.00 1.60 1.55 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.72 4.03 0.00 1.80 1.98 0.00 3.22 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 175 G 7.95 3.85 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 0.00 0.00 0.00 176 G 8.22 3.75 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 0.00 0.00 0.00