NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 81 N 4.7144 8.2827 119.4692 53.5073 40.7649 172.6071 82 V 4.2446 8.3422 125.0511 61.2498 32.8725 169.7141 83 V 4.3734 9.6729 129.0300 61.6662 33.8179 174.3144 84 S 5.3370 8.4011 121.6941 56.3093 67.3805 172.9932 85 A 4.4236 8.9616 125.0280 51.5025 18.5325 177.0042 86 P 4.2789 0.0000 0.0000 64.5421 31.9628 175.7705 87 M 4.7459 7.3130 114.7337 53.4347 33.8345 172.4825 88 P 4.4632 0.0000 0.0000 61.8140 32.4568 176.4079 89 G 4.1265 6.6991 104.3798 46.4538 0.0000 170.7970 90 K 5.0844 7.7176 118.4252 54.4749 35.7418 175.7128 91 V 3.4994 8.6753 123.9621 63.6065 31.7657 176.1745 92 L 4.1728 9.0511 132.3715 57.7627 42.6532 177.3085 93 R 4.6236 7.5854 111.2218 55.3573 32.2757 173.8086 94 V 4.4277 8.2788 122.6455 61.8137 31.7796 175.7633 95 L 4.3110 8.7025 128.3247 56.1215 42.1968 176.8004 96 V 4.5676 7.6163 110.7816 59.2771 35.2751 174.4767 97 R 4.6454 8.6613 118.0834 54.0112 33.4897 175.5145 98 V 3.6403 8.4118 120.5186 65.0660 31.6420 176.0798 99 G 4.0570 8.8824 115.8666 45.2219 0.0000 173.5642 100 D 4.5642 8.2693 120.5042 54.4644 41.9240 175.8098 101 R 4.9274 8.4598 121.0976 55.3794 31.8875 176.2505 102 V 4.7040 8.7535 115.0261 59.9810 36.6889 175.4440 103 R 4.9873 8.9356 123.2169 54.6519 31.5904 176.6054 104 V 4.4513 8.0322 119.2658 62.6605 31.7269 176.5891 105 G 3.8630 9.3322 110.6384 46.2365 0.0000 173.1408 106 Q 4.3897 7.4793 119.9442 54.4516 30.8670 175.1974 107 G 4.2742 8.5389 112.8862 46.2173 0.0000 172.9585 108 L 4.7119 9.4294 126.6123 56.2892 43.9829 176.3053 109 L 4.7921 7.2531 116.2471 55.1705 43.6848 173.6770 110 V 4.8732 8.6264 119.5854 61.2676 34.1840 175.0004 111 L 5.0202 9.0339 128.1200 53.9627 44.6486 175.1325 112 E 5.7101 8.6420 118.1562 55.9693 33.6236 173.7381 113 A 4.7872 8.4827 127.4206 51.4153 22.9823 175.8492 114 M 3.2308 9.5695 121.3314 56.5293 29.7865 176.9476 115 K 3.8462 8.1523 111.4044 57.6774 30.1412 174.8330 116 M 4.6056 7.9957 118.5509 53.9154 34.3368 174.0977 117 E 5.0078 8.7939 125.4861 54.7406 31.7544 174.6174 118 N 4.8520 9.1074 124.2918 51.6943 41.6501 172.8022 119 E 4.8108 8.6775 128.0230 55.1881 31.2867 175.0769 120 I 4.1960 9.0381 130.0745 60.1641 37.8824 173.6739 121 P 4.9437 0.0000 0.0000 61.8832 32.8271 176.0519 122 S 4.2215 9.9288 118.2488 58.0826 62.9593 173.0713 123 P 4.4559 0.0000 0.0000 63.5529 31.6916 175.9696 124 R 4.3708 7.2886 112.5992 56.2175 32.5016 172.1642 125 D 5.2256 8.6661 118.4133 53.4143 42.7079 175.5015 126 G 4.1176 8.7654 114.3384 45.7469 0.0000 171.6582 127 V 4.9767 8.1625 120.9383 59.6999 35.3662 175.5119 128 V 3.7937 9.1603 124.8816 63.4457 31.6861 176.0002 129 K 4.1653 9.0494 130.5616 58.4388 33.1293 177.0838 130 R 4.6784 7.7353 117.1748 54.7014 34.6141 174.3529 131 I 4.6071 8.3215 123.6388 59.4174 38.5815 175.4531 132 L 4.4956 8.5633 125.2083 55.2419 41.8596 176.9294 133 V 4.6436 7.4248 111.1889 60.0166 36.1507 173.9301 134 K 4.6491 8.4787 119.7832 54.4515 35.1707 175.0698 135 E 4.4506 8.5996 122.9424 57.3597 30.2502 175.9429 136 G 4.0958 9.0827 111.5408 45.5802 0.0000 173.8657 137 E 4.1595 8.3175 121.4751 56.0057 30.5688 176.0820 138 A 4.7996 8.5658 128.6507 51.7431 20.1953 176.4954 139 V 4.5968 8.9771 113.7151 59.8718 36.3848 173.7610 140 D 4.9546 8.3717 119.6972 52.6865 44.5458 175.3466 141 T 4.0907 8.2735 116.8763 64.9582 68.7334 175.8096 142 G 3.9308 9.4530 114.1716 45.5504 0.0000 173.5390 143 Q 4.2106 7.5253 122.0243 55.0091 30.3510 173.4953 144 P 4.9448 0.0000 0.0000 62.7023 31.5892 175.6286 145 L 4.6405 9.5846 124.3018 56.0277 44.4755 176.5579 146 I 5.1081 7.4852 116.7194 59.8041 42.2575 173.5925 147 E 4.8712 9.3139 125.7187 54.6376 31.8758 175.7622 148 L 4.9837 8.3554 127.0792 53.7354 44.1545 177.1741 149 G 3.7936 8.4649 105.6819 46.7833 0.0000 172.8141 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 81 N 8.28 4.71 0.00 2.87 2.75 0.00 0.00 6.67 6.83 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 82 V 8.34 4.24 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 0.81 0.00 0.00 0.93 0.00 0.00 83 V 9.67 4.37 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 0.90 0.00 0.00 0.93 0.00 0.00 84 S 8.40 5.34 0.00 3.77 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.96 4.42 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 86 P 0.00 4.28 0.00 2.19 2.18 0.00 3.78 0.00 0.00 3.85 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 87 M 7.31 4.75 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 88 P 0.00 4.46 0.00 2.06 2.02 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 89 G 6.70 4.13 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 0.00 0.00 0.00 90 K 7.72 5.08 0.00 1.83 1.88 0.00 1.32 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.34 7.81 91 V 8.68 3.50 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 0.93 0.00 0.00 1.03 0.00 0.00 92 L 9.05 4.17 0.00 1.65 1.82 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.59 4.62 0.00 1.86 1.95 0.00 3.00 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 94 V 8.28 4.43 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 0.87 0.00 0.00 0.93 0.00 0.00 95 L 8.70 4.31 0.00 1.74 1.70 0.93 0.74 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 96 V 7.62 4.57 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 97 R 8.66 4.65 0.00 2.03 1.75 0.00 3.15 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 98 V 8.41 3.64 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 0.77 0.00 0.00 0.93 0.00 0.00 99 G 8.88 4.06 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 0.00 0.00 0.00 100 D 8.27 4.56 0.00 2.84 2.60 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 0.00 101 R 8.46 4.93 0.00 1.69 1.84 0.00 3.32 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 102 V 8.75 4.70 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 0.74 0.00 0.00 0.97 0.00 0.00 103 R 8.94 4.99 0.00 1.88 1.88 0.00 3.13 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 104 V 8.03 4.45 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 0.61 0.00 0.00 1.01 0.00 0.00 105 G 9.33 3.86 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 0.00 0.00 0.00 106 Q 7.48 4.39 0.00 2.30 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 107 G 8.54 4.27 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 0.00 108 L 9.43 4.71 0.00 1.57 1.71 0.94 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.25 4.79 0.00 1.85 1.72 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.63 4.87 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 1.05 0.00 0.00 0.93 0.00 0.00 111 L 9.03 5.02 0.00 1.58 1.57 0.92 0.59 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 0.00 112 E 8.64 5.71 0.00 2.05 1.73 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 2.21 2.28 0.00 113 A 8.48 4.79 1.24 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 0.00 0.00 0.00 114 M 9.57 3.23 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 115 K 8.15 3.85 0.00 1.90 1.89 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.40 7.81 116 M 8.00 4.61 0.00 2.30 1.90 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 117 E 8.79 5.01 0.00 1.87 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 2.22 2.27 0.00 118 N 9.11 4.85 0.00 2.72 2.65 0.00 0.00 6.36 8.01 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 0.00 119 E 8.68 4.81 0.00 2.09 1.81 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 0.00 2.33 2.33 0.00 120 I 9.04 4.20 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 1.46 1.01 0.91 0.00 0.00 121 P 0.00 4.94 0.00 2.07 2.04 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 122 S 9.93 4.22 0.00 3.94 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 0.00 123 P 0.00 4.46 0.00 2.08 2.08 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 124 R 7.29 4.37 0.00 1.97 2.02 0.00 2.74 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 125 D 8.67 5.23 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.77 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.16 4.98 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 0.65 0.00 0.00 0.99 0.00 0.00 128 V 9.16 3.79 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 0.96 0.00 0.00 0.93 0.00 0.00 129 K 9.05 4.17 0.00 1.79 1.92 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.55 1.41 7.81 130 R 7.74 4.68 0.00 1.83 1.73 0.00 3.37 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 131 I 8.32 4.61 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 1.34 1.24 0.97 0.00 0.00 132 L 8.56 4.50 0.00 1.71 1.69 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 133 V 7.42 4.64 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 0.70 0.00 0.00 0.99 0.00 0.00 134 K 8.48 4.65 0.00 1.72 1.65 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.36 7.81 135 E 8.60 4.45 0.00 2.21 1.94 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 2.27 2.30 0.00 136 G 9.08 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.32 4.16 0.00 2.12 1.92 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 2.30 2.27 0.00 138 A 8.57 4.80 1.22 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 0.00 139 V 8.98 4.60 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 0.90 0.00 0.00 0.93 0.00 0.00 140 D 8.37 4.95 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 T 8.27 4.09 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 1.28 0.00 0.00 142 G 9.45 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 7.53 4.21 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 144 P 0.00 4.94 0.00 1.97 1.98 0.00 3.74 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 145 L 9.58 4.64 0.00 1.60 1.66 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.49 5.11 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 1.23 0.47 0.98 0.00 0.00 147 E 9.31 4.87 0.00 1.95 1.77 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 2.18 2.24 0.00 148 L 8.36 4.98 0.00 1.70 1.60 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.46 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