NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 84 V 4.0882 8.0549 120.3911 63.2596 33.2261 173.9897 85 T 4.4670 8.4027 121.1820 64.4128 72.6303 172.0611 86 L 5.3276 8.7287 121.7603 53.1466 45.2054 175.1388 87 F 5.4544 9.1681 119.5704 55.7181 43.6515 174.2398 88 V 5.0362 8.8098 119.6427 59.7758 34.8370 174.6161 89 A 4.7821 9.0290 125.3864 52.2637 18.9429 178.4137 90 L 4.3897 9.4852 122.9909 56.7426 42.6357 176.4224 91 Y 5.1125 8.0531 117.2060 55.6786 42.2255 174.4735 92 D 4.9054 8.0718 122.7529 55.0660 42.4093 175.3302 93 Y 4.4988 8.2947 119.4529 56.8195 42.6338 172.8469 94 E 4.5531 7.8864 126.0735 54.1589 31.2054 175.9763 95 A 3.8767 8.1045 127.8815 52.6005 18.9917 177.7269 96 R 4.0728 8.5018 122.3066 57.6902 30.6951 176.2584 97 T 4.6797 7.4867 105.5773 59.2907 71.6446 173.3947 98 E 4.1018 8.6617 120.0927 59.0705 29.7072 177.5559 99 D 4.8581 8.0641 116.8967 53.3563 39.7607 175.2251 100 D 5.5132 7.2637 118.2382 53.6836 42.8927 175.7879 101 L 4.9327 8.5743 120.0608 53.5521 44.2711 176.1837 102 S 4.9958 8.7349 116.9658 56.8439 65.1354 173.5187 103 F 5.2836 8.3746 118.3190 55.8524 42.2301 172.9444 104 H 5.5279 9.3481 115.8453 53.3007 32.3952 173.9288 105 K 4.2692 9.2780 122.0115 58.3441 32.3816 176.3385 106 G 4.0939 9.3304 114.6759 45.1980 0.0000 173.6552 107 E 3.8796 7.9283 120.5351 56.8343 30.6744 176.1506 108 K 4.9041 8.3057 125.1199 55.0956 34.9266 175.3038 109 F 5.5185 9.4567 121.4601 55.7425 43.9770 173.5552 110 Q 4.9234 8.8502 120.3565 54.4604 31.7288 174.2103 111 I 4.2245 7.9144 125.9672 61.3111 37.1767 175.9068 112 L 4.4283 8.6321 126.5246 55.6409 43.7175 176.4608 113 N 4.4788 7.7540 117.6977 52.7693 41.1775 174.2824 114 S 3.5149 8.1919 119.9312 57.6382 62.8366 174.7511 115 S 4.1646 7.9150 115.0171 61.5416 62.1868 174.6590 116 E 4.2245 8.2519 117.6320 56.2364 29.0973 176.2591 117 G 3.7302 8.1323 108.9515 46.8175 0.0000 173.6814 118 D 4.5659 8.0370 118.0389 52.8397 43.2149 175.3878 119 W 4.8988 8.2268 118.7046 54.6133 31.5711 174.7886 120 W 5.2836 8.6618 124.7885 54.8907 31.5727 175.0129 121 E 4.2644 8.7552 124.6139 55.9232 30.5345 175.1192 122 A 5.0114 8.7628 126.6906 51.1159 23.8407 174.5795 123 R 5.0749 8.7691 119.2232 54.5283 33.1642 174.7535 124 S 4.6165 9.2554 121.8211 58.2435 63.5174 173.9601 125 L 4.5754 8.4227 126.0611 55.3649 41.3903 177.3366 126 T 4.3855 8.0770 117.3308 64.1607 69.9891 175.5160 127 T 4.3872 7.9961 108.6835 60.5547 70.7189 175.2139 128 G 3.9891 8.3045 109.4969 45.0150 0.0000 173.4962 129 E 4.3070 7.9745 119.3805 56.7274 30.7453 175.9893 130 T 5.0799 8.6494 118.2310 61.3524 71.5819 173.8193 131 G 4.0758 8.1439 112.5038 46.3751 0.0000 171.2842 132 Y 5.1015 8.4469 118.3107 57.7631 39.4066 175.3630 133 I 5.0649 8.9999 115.6150 58.2872 41.9573 172.9716 134 P 2.9700 0.0000 0.0000 62.0171 31.8582 176.9480 135 S 2.7900 8.2906 119.8607 60.9686 62.0189 175.6454 136 N 4.5139 7.5002 113.1372 53.9076 37.4745 174.7446 137 Y 4.3118 7.8842 116.9027 58.6042 38.4396 174.9878 138 V 5.2885 7.1627 111.0940 59.7190 35.8059 174.7908 139 A 4.9288 8.9272 122.8000 49.6026 23.3723 173.9577 140 P 3.5800 0.0000 0.0000 62.7855 31.7366 177.7013 141 V 3.6017 8.1504 124.3907 65.8869 31.9251 176.0926 142 D 4.6812 7.6846 119.7588 52.5069 39.0994 176.2352 143 S 4.6489 7.2430 112.0393 57.3241 65.1158 174.6549 144 I 3.8446 8.3182 122.7916 61.8984 36.7762 175.8611 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 84 V 8.05 4.09 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 0.87 0.00 0.00 0.92 0.00 0.00 85 T 8.40 4.47 4.26 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 0.00 0.00 1.24 0.00 0.00 86 L 8.73 5.33 0.00 1.63 1.59 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 87 F 9.17 5.45 0.00 3.13 3.08 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 0.00 0.00 0.00 0.00 88 V 8.81 5.04 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 0.80 0.00 0.00 1.03 0.00 0.00 89 A 9.03 4.78 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.49 4.39 0.00 1.53 1.76 0.90 0.68 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 91 Y 8.05 5.11 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.91 0.00 2.31 2.52 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 0.00 0.00 0.00 0.00 93 Y 8.29 4.50 0.00 2.45 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 94 E 7.89 4.55 0.00 1.57 1.61 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 2.08 2.12 0.00 95 A 8.10 3.88 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 96 R 8.50 4.07 0.00 1.93 1.94 0.00 3.40 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 97 T 7.49 4.68 4.15 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 1.04 0.00 0.00 98 E 8.66 4.10 0.00 1.97 2.05 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 2.29 2.27 0.00 99 D 8.06 4.86 0.00 3.03 2.94 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 0.00 100 D 7.26 5.51 0.00 2.86 2.85 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 0.00 101 L 8.57 4.93 0.00 1.87 1.93 1.12 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.73 5.00 0.00 3.73 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.37 5.28 0.00 3.45 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.35 5.53 0.00 3.18 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 9.28 4.27 0.00 1.76 1.80 0.00 1.89 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.54 1.60 7.81 106 G 9.33 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 0.00 107 E 7.93 3.88 0.00 2.34 1.62 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 1.87 2.20 0.00 108 K 8.31 4.90 0.00 1.64 1.63 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.56 7.81 109 F 9.46 5.52 0.00 2.92 2.86 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 0.00 110 Q 8.85 4.92 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 111 I 7.91 4.22 1.63 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.47 0.00 0.00 112 L 8.63 4.43 0.00 1.42 1.64 0.89 1.04 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 0.00 113 N 7.75 4.48 0.00 2.64 2.60 0.00 0.00 6.75 7.46 0.00 0.00 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 S 8.19 3.51 0.00 2.92 3.33 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 0.00 115 S 7.92 4.16 0.00 3.82 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 4.22 0.00 2.59 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 2.52 2.58 0.00 117 G 8.13 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 0.00 0.00 0.00 118 D 8.04 4.57 0.00 2.45 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 0.00 0.00 0.00 0.00 119 W 8.23 4.90 0.00 3.18 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 0.00 120 W 8.66 5.28 0.00 3.17 2.85 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 0.00 121 E 8.76 4.26 0.00 1.53 1.60 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 2.09 1.85 0.00 122 A 8.76 5.01 1.09 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 0.00 123 R 8.77 5.07 0.00 1.91 1.80 0.00 3.12 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.84 0.00 124 S 9.26 4.62 0.00 4.19 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 0.00 125 L 8.42 4.58 0.00 1.57 1.64 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.08 4.39 4.20 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 0.00 0.00 0.00 1.22 0.00 0.00 127 T 8.00 4.39 4.28 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 1.25 0.00 0.00 128 G 8.30 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 7.97 4.31 0.00 2.07 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 2.37 2.34 0.00 130 T 8.65 5.08 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 1.16 0.00 0.00 131 G 8.14 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 8.45 5.10 0.00 3.18 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 0.00 133 I 9.00 5.06 1.57 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.38 0.65 0.00 0.00 134 P 0.00 2.97 0.00 1.47 1.09 0.00 3.20 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.76 0.00 135 S 8.29 2.79 0.00 2.75 3.24 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 0.00 136 N 7.50 4.51 0.00 2.74 2.74 0.00 0.00 6.00 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 0.00 137 Y 7.88 4.31 0.00 3.13 3.27 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 0.00 138 V 7.16 5.29 2.34 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 0.52 0.00 0.00 0.86 0.00 0.00 139 A 8.93 4.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 3.58 0.00 1.88 1.62 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.50 0.00 141 V 8.15 3.60 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 0.75 0.00 0.00 0.98 0.00 0.00 142 D 7.68 4.68 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.24 4.65 0.00 4.04 4.03 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 0.00 0.00 0.00 0.00 144 I 8.32 3.84 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 1.26 0.52 0.90 0.00 0.00