NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 82 G 3.9542 8.3549 109.7328 45.4907 0.0000 172.1462 83 S 4.2415 7.1503 113.4539 59.2971 65.9187 174.6277 84 G 3.6136 8.0237 114.7228 47.3066 0.0000 173.5518 85 S 4.6729 7.2589 111.0321 56.1084 64.3472 174.9889 86 E 4.1634 7.8604 123.3266 56.1226 30.9767 175.2418 87 P 4.9614 0.0000 0.0000 62.1985 32.8484 175.3544 88 A 4.3346 8.8205 125.9070 49.7881 20.7692 175.1726 89 V 3.7558 7.9297 121.3317 63.4970 32.9051 175.0219 90 C 5.3195 8.9988 128.6752 58.2449 31.9134 174.3598 91 E 4.1373 8.9353 126.3041 59.0821 29.5584 177.9105 92 M 4.4470 8.5343 117.8220 58.0286 32.8328 176.6579 93 C 4.3441 8.2078 114.4259 60.1352 29.0763 174.8328 94 G 4.1017 8.4261 107.3971 44.8990 0.0000 173.9535 95 I 3.8735 7.8493 120.4921 62.0787 38.0773 175.0828 96 V 4.5833 8.5159 125.8071 61.4326 34.1653 174.6703 97 G 4.4280 7.5531 112.6776 45.6586 0.0000 171.1476 98 T 4.9147 8.5599 109.5983 60.4125 70.5277 176.0636 99 R 3.9158 8.8216 121.8274 59.6634 29.2338 178.0384 100 E 4.2171 8.2447 112.6886 56.9091 29.8557 176.6259 101 A 4.6323 8.9435 123.0877 52.8085 21.1216 177.0303 102 F 4.3474 7.7083 112.6518 55.9128 40.3317 174.8300 103 F 4.3351 8.8515 124.1651 58.8694 38.8889 176.3634 104 S 4.1009 8.5225 124.9793 61.2369 62.8982 175.7353 105 K 3.6767 6.9076 120.8130 59.0647 31.9568 176.8699 106 T 4.3481 7.9201 106.5490 61.3962 70.6643 175.6260 107 K 4.4632 8.5174 121.6391 56.3273 33.1527 177.4248 108 R 3.8403 7.7090 117.6447 57.9412 30.4660 176.4426 109 F 5.4093 7.8663 115.6425 55.3901 41.7459 175.8687 110 C 3.3052 8.9692 118.7699 59.7994 29.6689 173.4781 111 S 4.1915 7.3112 113.1193 55.4625 65.7791 175.2608 112 V 3.4263 7.2556 122.1385 64.6795 30.8861 178.5872 113 S 4.0051 7.7286 114.4444 61.6566 62.8079 176.2178 114 C 3.9628 7.9391 120.2515 61.9419 27.7190 176.2499 115 S 3.1582 7.6391 115.2133 60.9613 62.1083 176.3193 116 R 4.0140 7.7190 117.7097 58.5687 29.2176 178.7644 117 S 4.0523 8.1288 116.8838 61.7142 63.0496 175.8692 118 Y 3.8078 7.8593 121.8843 60.0572 38.1587 177.8056 119 S 4.3818 7.8478 113.4554 60.7087 62.9715 175.1981 120 S 4.5243 7.8360 112.2784 58.6031 62.3970 173.3631 121 N 4.8856 7.9979 116.0963 53.5439 40.4578 173.1533 122 S 4.4706 7.4501 108.1917 59.6729 65.6997 173.3575 123 K 4.6347 8.2274 118.0702 55.9461 34.5908 175.6416 124 K 4.2385 8.5188 124.0184 56.8343 32.3503 175.7844 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 82 G 8.35 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 83 S 7.15 4.24 0.00 3.88 3.64 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 84 G 8.02 3.61 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 0.00 0.00 0.00 85 S 7.26 4.67 0.00 3.78 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 86 E 7.86 4.16 0.00 1.89 1.82 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 2.38 2.31 0.00 87 P 0.00 4.96 0.00 1.97 1.98 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 88 A 8.82 4.33 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.93 3.76 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 0.75 0.00 0.00 0.83 0.00 0.00 90 C 9.00 5.32 0.00 3.55 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.94 4.14 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 92 M 8.53 4.45 0.00 2.16 2.43 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 93 C 8.21 4.34 0.00 3.10 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.43 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 95 I 7.85 3.87 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 1.07 0.00 0.00 96 V 8.52 4.58 2.04 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 0.62 0.00 0.00 0.93 0.00 0.00 97 G 7.55 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 0.00 0.00 0.00 0.00 98 T 8.56 4.91 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 1.23 0.00 0.00 99 R 8.82 3.92 0.00 2.02 2.26 0.00 2.77 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 100 E 8.24 4.22 0.00 2.10 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 2.29 2.40 0.00 101 A 8.94 4.63 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 0.00 102 F 7.71 4.35 0.00 3.10 3.10 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 0.00 103 F 8.85 4.34 0.00 3.09 3.19 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 0.00 104 S 8.52 4.10 0.00 3.73 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 0.00 105 K 6.91 3.68 0.00 0.79 1.30 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.33 7.81 106 T 7.92 4.35 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 1.36 0.00 0.00 107 K 8.52 4.46 0.00 1.93 2.09 0.00 2.08 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.51 7.81 108 R 7.71 3.84 0.00 1.45 0.82 0.00 2.99 0.00 0.00 3.06 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.40 0.00 109 F 7.87 5.41 0.00 3.22 2.95 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 0.00 0.00 0.00 110 C 8.97 3.31 0.00 2.37 2.36 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 0.00 111 S 7.31 4.19 0.00 3.82 3.64 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 0.00 112 V 7.26 3.43 1.52 0.00 0.00 0.00 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 0.98 0.00 0.00 113 S 7.73 4.01 0.00 3.98 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 0.00 114 C 7.94 3.96 0.00 3.22 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 0.00 115 S 7.64 3.16 0.00 3.84 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.72 4.01 0.00 2.04 2.13 0.00 2.95 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 117 S 8.13 4.05 0.00 3.92 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 0.00 118 Y 7.86 3.81 0.00 2.95 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 0.00 119 S 7.85 4.38 0.00 3.95 3.98 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 0.00 0.00 0.00 120 S 7.84 4.52 0.00 3.98 3.83 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 0.00 121 N 8.00 4.89 0.00 2.57 2.75 0.00 0.00 6.77 7.08 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 0.00 122 S 7.45 4.47 0.00 3.57 3.53 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 0.00 123 K 8.23 4.63 0.00 1.75 1.66 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.45 7.81 124 K 8.52 4.24 0.00 1.90 1.64 0.00 1.93 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.53 7.81