NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 81 I 4.2529 7.8676 121.3849 61.2075 39.5073 174.1397 82 I 4.4404 8.0686 118.4224 59.8239 39.7572 169.5343 83 V 5.0882 8.8828 117.3091 59.5304 36.6293 175.9091 84 V 4.8884 8.8195 121.5749 59.5519 34.3459 174.8865 85 A 4.1847 8.7332 126.9910 52.2772 18.6857 178.1167 86 L 3.9583 8.9949 122.9170 56.3504 42.6201 176.3685 87 Y 5.1060 7.4788 113.4669 55.9243 42.2967 175.0256 88 D 4.8804 8.9141 120.1881 54.7503 42.2236 175.6657 89 Y 4.5531 8.6232 122.5010 55.7741 42.4702 173.1576 90 E 4.5403 7.5475 126.6257 53.6052 31.7335 175.2785 91 A 3.9117 8.2713 130.9630 52.6436 18.9222 176.7101 92 I 4.1320 8.2724 116.4569 62.9312 39.3839 176.3145 93 H 4.8401 7.4429 120.1225 55.5182 29.5447 174.2983 94 H 4.9548 8.9479 114.2468 56.3914 30.4561 174.3672 95 E 4.4241 8.0828 118.8002 56.8287 30.4287 175.0767 96 D 5.4858 8.1835 118.4493 52.4197 41.0013 175.8615 97 L 4.7759 8.0798 120.2540 54.6716 42.2776 176.3372 98 S 4.7393 8.6659 117.7886 58.4343 63.9931 173.3680 99 F 5.1564 8.2227 116.8518 55.8794 41.7576 173.4799 100 Q 5.1256 9.5608 119.8435 53.9362 31.4194 175.3861 101 K 4.3594 9.6258 121.7310 58.2820 33.1067 176.9201 102 G 4.1060 8.7450 110.9418 45.5538 0.0000 173.9899 103 D 4.5276 8.0063 119.4227 54.8054 42.1160 175.6532 104 Q 5.1094 8.6149 121.2132 54.6705 31.5181 174.4160 105 M 5.1303 8.6685 119.2261 53.8595 35.3680 173.7790 106 V 4.1936 8.7655 121.9165 62.1156 33.2389 175.0817 107 V 4.1620 8.4136 129.0383 62.7511 31.0775 175.7565 108 L 4.1984 9.1310 129.5120 57.3626 42.2779 177.7836 109 E 4.5608 7.8426 117.1683 53.9833 33.6666 176.1148 110 E 3.8769 8.2771 126.2013 55.8912 29.8409 178.8094 111 S 4.6241 7.8695 113.4206 58.5652 62.1257 175.3152 112 G 4.0931 7.9444 122.2683 47.6047 0.0000 173.8778 113 E 4.3687 9.2488 128.8174 56.7394 31.0220 173.6315 114 W 4.8169 8.4254 118.2504 54.6339 31.3586 175.3516 115 W 5.1021 8.4750 125.6663 56.2501 30.5075 175.6647 116 K 4.4759 9.1710 124.6632 55.5603 33.2685 175.3514 117 A 5.1289 9.3158 127.6666 50.5451 23.4764 174.5434 118 R 4.8869 8.6756 120.0121 54.4084 33.0945 174.8888 119 S 4.6224 8.8715 121.9021 58.0122 63.0225 175.0651 120 L 4.0682 8.6540 126.9768 57.0341 41.7310 178.2996 121 A 4.2287 7.8151 121.3198 54.8226 19.0535 178.5518 122 T 4.0795 8.1251 104.9116 61.8648 69.4303 176.9245 123 R 4.4664 8.0183 115.9215 56.5107 28.7993 175.9703 124 K 4.4130 7.4491 118.8459 56.4755 33.7417 175.0657 125 E 4.9780 8.7336 120.4754 54.4071 33.0059 174.9227 126 G 4.2059 8.1124 110.7966 46.8921 0.0000 170.7145 127 Y 5.3090 8.0995 116.8179 57.0853 39.9811 175.1878 128 I 4.2742 8.4943 114.7707 58.3095 41.8413 172.8016 129 P 2.9991 0.0000 0.0000 61.5182 31.7304 177.6123 130 S 2.8756 7.7067 119.1309 60.5545 62.6068 175.8189 131 N 4.5444 7.7340 115.9817 54.0461 37.7862 175.1688 132 Y 4.5195 8.0698 117.0068 59.1618 38.6252 175.1903 133 V 4.8870 6.9945 110.6436 59.2086 35.1531 174.9114 134 A 4.8377 8.8957 123.7991 50.0098 22.2708 175.5401 135 R 4.4082 8.5680 121.0278 55.9591 31.1526 176.0805 136 V 3.8770 8.1074 126.3526 62.4582 32.4184 175.4544 137 D 4.4715 8.6044 125.9086 54.4923 41.1510 175.7099 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 I 7.87 4.25 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.87 0.00 0.00 82 I 8.07 4.44 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 1.32 0.49 0.88 0.00 0.00 83 V 8.88 5.09 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 1.02 0.00 0.00 0.95 0.00 0.00 84 V 8.82 4.89 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 0.76 0.00 0.00 0.93 0.00 0.00 85 A 8.73 4.18 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 86 L 8.99 3.96 0.00 0.36 0.61 0.71 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.48 5.11 0.00 2.91 2.81 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 0.00 0.00 0.00 88 D 8.91 4.88 0.00 2.64 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 89 Y 8.62 4.55 0.00 2.02 1.43 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 90 E 7.55 4.54 0.00 1.71 1.49 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 2.04 2.15 0.00 91 A 8.27 3.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.27 4.13 1.85 0.00 0.00 0.88 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 0.39 0.84 0.00 0.00 93 H 7.44 4.84 0.00 3.55 3.31 0.00 5.61 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 H 8.95 4.95 0.00 3.24 3.41 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.08 4.42 0.00 2.17 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 0.00 2.26 1.68 0.00 96 D 8.18 5.49 0.00 3.21 3.16 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 0.00 0.00 0.00 0.00 97 L 8.08 4.78 0.00 1.80 1.78 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.67 4.74 0.00 3.77 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 99 F 8.22 5.16 0.00 3.31 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.56 5.13 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 101 K 9.63 4.36 0.00 2.02 1.85 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.42 7.81 102 G 8.74 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.01 4.53 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.61 5.11 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 105 M 8.67 5.13 0.00 1.95 2.04 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 2.28 2.27 0.00 106 V 8.77 4.19 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 0.93 0.00 0.00 0.90 0.00 0.00 107 V 8.41 4.16 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 0.44 0.00 0.00 1.00 0.00 0.00 108 L 9.13 4.20 0.00 1.50 1.64 0.92 0.94 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 0.00 109 E 7.84 4.56 0.00 1.90 1.83 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 2.28 2.30 0.00 110 E 8.28 3.88 0.00 1.64 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 1.47 1.72 0.00 111 S 7.87 4.62 0.00 4.12 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.94 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 9.25 4.37 0.00 2.21 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 0.00 2.50 2.43 0.00 114 W 8.43 4.82 0.00 3.20 3.32 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 0.00 115 W 8.47 5.10 0.00 3.20 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 0.00 116 K 9.17 4.48 0.00 1.59 1.64 0.00 1.51 0.00 0.00 1.58 0.00 0.00 2.61 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.14 0.68 7.81 117 A 9.32 5.13 1.18 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 0.00 0.00 118 R 8.68 4.89 0.00 1.83 1.73 0.00 3.07 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 119 S 8.87 4.62 0.00 3.97 3.73 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 0.00 0.00 0.00 120 L 8.65 4.07 0.00 1.81 1.70 0.90 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 0.00 121 A 7.82 4.23 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.13 4.08 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 1.25 0.00 0.00 123 R 8.02 4.47 0.00 2.12 2.23 0.00 2.65 0.00 0.00 3.89 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 124 K 7.45 4.41 0.00 1.72 1.84 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.41 7.81 125 E 8.73 4.98 0.00 1.90 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 2.11 2.36 0.00 126 G 8.11 4.21 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 0.00 127 Y 8.10 5.31 0.00 3.31 3.37 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 0.00 128 I 8.49 4.27 1.61 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.89 0.00 0.00 129 P 0.00 3.00 0.00 1.72 1.56 0.00 2.56 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 130 S 7.71 2.88 0.00 2.72 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 0.00 131 N 7.73 4.54 0.00 2.84 2.94 0.00 0.00 6.03 7.55 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 0.00 132 Y 8.07 4.52 0.00 3.22 3.29 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 0.00 0.00 0.00 0.00 133 V 6.99 4.89 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 0.31 0.00 0.00 0.78 0.00 0.00 134 A 8.90 4.84 1.14 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 0.00 135 R 8.57 4.41 0.00 1.96 1.89 0.00 3.25 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 136 V 8.11 3.88 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 0.74 0.00 0.00 0.95 0.00 0.00 137 D 8.60 4.47 0.00 2.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00