NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 61 K 4.2055 8.3144 120.1345 55.8870 34.4034 175.3798 62 D 4.6175 7.6198 120.3090 51.4690 42.4602 174.8723 63 A 4.1164 9.5927 131.8680 54.5527 19.8140 177.3168 64 E 5.2649 8.4667 117.4058 55.2388 30.9093 178.3585 65 A 4.0622 7.7880 122.9161 55.4557 18.5055 179.9792 66 V 3.7612 7.7347 116.2189 66.2362 31.8564 178.1993 67 Q 4.0628 8.0809 117.4845 58.5839 28.6272 178.4104 68 K 3.9902 8.2725 120.7840 59.4658 32.2455 178.5613 69 F 4.1893 8.8485 121.2774 61.3142 39.4181 176.5459 70 F 4.0024 8.7214 120.5686 61.3965 39.1124 176.9540 71 L 3.7901 8.1006 119.6568 58.0510 41.8865 178.4479 72 E 3.8675 8.0993 118.5297 59.6926 29.4034 179.3643 73 E 3.7178 7.9177 118.4498 59.2401 29.4160 179.5125 74 I 3.5059 7.2233 119.5674 64.4693 37.1531 178.5592 75 Q 4.1033 8.0476 118.9116 58.6346 28.3851 178.6538 76 L 3.9080 8.0741 121.6586 58.0781 42.1182 178.9250 77 G 3.7359 8.2298 106.1624 47.9178 0.0000 174.9137 78 E 3.8939 8.1432 121.4401 59.2392 29.4416 178.7356 79 E 3.9067 8.1561 118.3980 59.5122 29.3659 179.5277 80 L 4.0098 8.2040 119.2907 57.7133 41.4544 179.5082 81 L 3.8215 8.0974 118.1162 57.1542 41.6670 178.8312 82 A 4.1145 8.0803 119.6856 55.5838 18.7125 177.0465 83 Q 4.7843 7.4953 117.1628 54.7424 30.8609 176.1422 84 G 3.6629 8.2964 107.2332 46.4294 0.0000 174.2384 85 D 4.6507 7.1140 119.1309 53.1805 39.9566 177.5630 86 Y 4.1182 7.5110 120.6561 61.0915 38.5141 178.0174 87 E 4.0336 8.2156 119.8377 59.0865 29.9404 178.8267 88 K 4.0686 8.0712 118.2720 59.2888 32.2346 179.2401 89 G 3.6604 8.6605 106.3216 48.0177 0.0000 175.8730 90 V 3.6122 8.2846 121.6738 65.3538 31.5202 177.2220 91 D 4.4583 7.9473 119.2633 57.1479 41.0756 178.3903 92 H 4.2409 8.1022 116.1179 58.8943 28.6964 177.8061 93 L 3.9652 7.9316 121.0565 57.9815 41.2493 179.7110 94 T 3.9772 8.4171 110.0923 64.5238 68.6185 176.5989 95 N 4.4263 8.1628 119.4478 56.1039 38.3376 177.1396 96 A 4.0811 7.5965 120.7096 55.3624 18.7974 179.3817 97 I 3.9266 8.0084 118.1898 64.5440 36.9213 178.4531 98 A 4.1121 8.2083 120.9723 54.9984 18.2962 179.1486 99 V 4.2434 7.5262 107.8722 60.5646 31.8999 175.3684 100 C 4.4943 7.6147 120.6804 57.3740 32.2274 173.5261 101 G 3.6482 8.9184 116.8370 48.1412 0.0000 173.0257 102 Q 4.3900 7.7469 125.2706 52.8968 29.9190 173.0992 103 P 4.6897 0.0000 0.0000 62.9809 31.6726 177.2691 104 Q 3.9942 8.3500 119.8002 59.6624 28.8246 178.6707 105 Q 3.9573 8.1169 119.6473 59.1926 29.0952 178.0132 106 L 4.0480 7.9543 120.6945 58.3048 42.2455 178.8025 107 L 4.1941 8.5564 119.2758 57.7504 41.5474 179.2865 108 Q 3.8787 8.3693 119.7658 59.1488 28.8391 178.4666 109 V 3.5821 7.6640 118.7844 65.8992 31.4696 178.0798 110 L 4.0074 7.9919 118.6873 57.9190 41.3441 179.0454 111 Q 2.6872 7.8208 118.4446 58.8889 28.8410 177.9185 112 Q 4.0370 7.8721 118.3903 57.9272 29.2228 176.8224 113 T 4.3366 7.1638 115.0915 63.8490 70.2397 174.8996 114 L 4.4976 7.8416 119.8865 52.9350 43.1150 175.4766 115 P 4.3843 0.0000 0.0000 61.8811 33.0087 175.7278 116 P 4.3453 0.0000 0.0000 65.5752 31.4064 177.1482 117 P 4.2415 0.0000 0.0000 65.5744 31.3782 178.6503 118 V 3.5045 7.6990 117.8979 65.8604 31.6938 177.6484 119 F 4.2583 8.4332 120.4735 61.3013 39.2024 177.2182 120 Q 3.8094 8.4155 118.0603 59.0015 28.2707 178.2447 121 M 3.9848 7.7305 118.3327 58.3125 32.2536 177.8598 122 L 4.0137 7.5330 120.1631 58.1322 42.2096 178.9659 123 L 3.7933 7.2563 118.5358 57.8733 41.2151 179.3697 124 T 3.9597 7.6641 112.6036 63.8952 67.2127 174.2930 125 K 4.6232 7.4403 118.9543 56.0583 33.3483 175.8693 126 L 4.0771 7.6184 126.9126 56.3640 41.8813 176.3351 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 61 K 8.31 4.21 0.00 1.75 1.94 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.50 7.81 62 D 7.62 4.62 0.00 2.73 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 63 A 9.59 4.12 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.47 5.26 0.00 2.04 1.96 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 2.24 2.15 0.00 65 A 7.79 4.06 1.42 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 0.00 0.00 0.00 66 V 7.73 3.76 2.11 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 1.23 0.00 0.00 0.94 0.00 0.00 67 Q 8.08 4.06 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 68 K 8.27 3.99 0.00 1.96 2.13 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.50 7.81 69 F 8.85 4.19 0.00 3.11 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 70 F 8.72 4.00 0.00 3.30 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 71 L 8.10 3.79 0.00 2.07 1.66 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.10 3.87 0.00 2.09 1.91 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 2.31 2.55 0.00 73 E 7.92 3.72 0.00 1.62 1.91 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 1.47 1.47 0.00 74 I 7.22 3.51 1.73 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.44 0.77 0.00 0.00 75 Q 8.05 4.10 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 76 L 8.07 3.91 0.00 1.63 1.59 0.49 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.23 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 0.00 0.00 0.00 78 E 8.14 3.89 0.00 2.15 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 0.00 2.28 2.33 0.00 79 E 8.16 3.91 0.00 2.15 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 2.29 2.39 0.00 80 L 8.20 4.01 0.00 1.91 1.80 0.86 0.67 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 81 L 8.10 3.82 0.00 1.71 1.74 0.98 0.91 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 82 A 8.08 4.11 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 83 Q 7.50 4.78 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.39 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 84 G 8.30 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 85 D 7.11 4.65 0.00 2.83 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.51 4.12 0.00 3.09 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 87 E 8.22 4.03 0.00 2.09 1.97 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 2.39 2.41 0.00 88 K 8.07 4.07 0.00 1.98 1.88 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.51 7.81 89 G 8.66 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 90 V 8.28 3.61 2.16 0.00 0.00 0.00 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 1.06 0.00 0.00 91 D 7.95 4.46 0.00 2.92 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 92 H 8.10 4.24 0.00 3.36 3.41 0.00 5.68 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 93 L 7.93 3.97 0.00 2.01 1.71 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.42 3.98 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 1.24 0.00 0.00 95 N 8.16 4.43 0.00 2.97 3.10 0.00 0.00 6.77 7.68 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 96 A 7.60 4.08 0.94 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 97 I 8.01 3.93 1.92 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 1.54 0.80 0.97 0.00 0.00 98 A 8.21 4.11 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.53 4.24 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 0.99 0.00 0.00 1.36 0.00 0.00 100 C 7.61 4.49 0.00 3.29 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 0.00 101 G 8.92 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.75 4.39 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.12 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 103 P 0.00 4.69 0.00 2.38 2.34 0.00 3.80 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 104 Q 8.35 3.99 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 105 Q 8.12 3.96 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 106 L 7.95 4.05 0.00 1.98 1.95 0.98 0.85 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 0.00 107 L 8.56 4.19 0.00 1.91 1.90 1.00 0.95 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 0.00 108 Q 8.37 3.88 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 109 V 7.66 3.58 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 0.98 0.00 0.00 0.98 0.00 0.00 110 L 7.99 4.01 0.00 2.07 1.88 1.02 0.78 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 0.00 111 Q 7.82 2.69 0.00 0.95 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.00 0.00 0.00 0.00 0.00 0.00 1.41 1.87 0.00 112 Q 7.87 4.04 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 113 T 7.16 4.34 4.35 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 1.21 0.00 0.00 114 L 7.84 4.50 0.00 1.78 1.71 1.00 1.44 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 0.00 115 P 0.00 4.38 0.00 2.18 1.99 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 116 P 0.00 4.35 0.00 2.17 2.18 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 117 P 0.00 4.24 0.00 2.15 2.26 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 118 V 7.70 3.50 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 1.18 0.00 0.00 0.91 0.00 0.00 119 F 8.43 4.26 0.00 3.20 3.21 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 0.00 120 Q 8.42 3.81 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.56 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 121 M 7.73 3.98 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 122 L 7.53 4.01 0.00 1.74 1.56 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.26 3.79 0.00 1.71 1.54 0.83 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.66 3.96 4.18 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 1.22 0.00 0.00 125 K 7.44 4.62 0.00 1.78 1.78 0.00 1.54 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.34 7.81 126 L 7.62 4.08 0.00 1.72 1.57 0.89 1.30 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