NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 112 M 4.4856 8.1633 118.1938 54.2730 32.8253 176.2850 113 P 4.0659 0.0000 0.0000 64.7451 31.3227 174.0171 114 V 3.7529 7.9292 116.9012 66.0685 32.0349 177.7792 115 G 3.6578 8.0753 104.9430 48.1059 0.0000 175.6155 116 S 4.1554 8.4985 117.9372 61.0309 62.7845 176.5527 117 L 3.9095 8.1895 123.5348 58.0395 41.7655 178.6237 118 Q 3.9292 8.2762 119.5394 59.4656 29.0151 177.9290 119 E 3.8815 8.2815 119.4418 59.4106 29.5082 179.3226 120 L 3.6506 7.8966 119.7915 57.9632 42.0923 178.7646 121 A 3.8733 7.7829 120.5362 55.2240 18.2443 179.6157 122 V 3.4768 7.9452 116.8926 66.1608 31.3477 177.7613 123 Q 3.8466 7.9363 118.1422 59.3244 29.0063 178.4033 124 K 3.8675 7.7808 116.9543 56.7006 31.9142 177.7151 125 G 3.8372 7.3626 107.1207 46.0019 0.0000 173.5182 126 W 5.0116 7.9796 118.8292 54.6434 30.6376 176.9432 127 R 4.1478 8.4420 120.0182 55.9330 30.1734 176.9781 128 L 4.1781 8.4126 120.9632 54.5048 42.2683 175.5385 129 P 4.5786 0.0000 0.0000 63.0773 32.3284 175.5845 130 E 4.6705 8.8804 121.4924 54.8432 32.8350 174.3319 131 Y 5.1952 8.6716 122.2349 56.2390 40.0297 175.9872 132 T 4.2810 8.7503 114.8096 60.9649 70.2626 174.5057 133 V 3.6522 8.2825 122.1581 62.2920 32.0727 175.5952 134 A 4.2330 8.6563 129.6943 53.2477 18.7374 176.6953 135 Q 4.4803 9.1756 121.2033 55.7759 30.9894 174.5741 *145 F 5.2876 7.7990 115.9565 58.2706 40.6976 173.9484 146 T 5.3263 8.8154 112.8765 60.0823 72.3983 172.9821 147 I 4.9664 8.8653 123.9637 60.0954 41.7927 174.0669 148 T 5.0005 9.1036 123.5411 62.0873 70.9264 173.0200 149 C 4.9654 9.2714 126.5081 57.5478 34.4268 172.6375 150 R 5.2847 8.6343 124.4966 54.3830 33.7664 174.8091 151 V 4.4977 8.6475 122.1896 60.4303 35.0357 173.4153 152 E 3.1230 8.7063 124.8817 57.9002 28.9324 174.6844 153 T 4.2449 7.7389 104.9380 60.8916 69.0630 173.8424 154 F 4.7696 7.9810 121.3896 56.7411 40.4828 175.3137 155 V 4.7740 8.1644 123.4466 61.8374 34.1439 173.7842 156 E 4.8343 9.3194 126.9798 55.0090 33.9969 174.5372 157 T 5.0260 8.7182 119.8095 61.8477 70.8342 174.0291 158 G 4.3591 9.3924 112.7858 44.5970 0.0000 172.0838 159 S 5.9427 7.7967 116.8889 55.5801 66.9382 173.0200 160 G 4.1511 8.1028 107.6903 46.5116 0.0000 173.6084 161 T 4.3318 8.9094 109.5692 63.3235 69.4252 174.8672 162 S 4.7681 7.6865 116.3919 55.5919 67.6603 174.7388 163 K 3.6876 7.7344 121.3353 59.3506 31.6905 179.3402 164 Q 3.8402 7.7886 119.3595 59.2358 28.9754 178.4731 165 V 3.5651 7.7336 118.9345 65.7225 31.4716 177.7008 166 A 4.0066 8.0538 120.5695 55.0925 18.2896 179.3457 167 K 3.8169 7.9908 117.9816 59.7671 32.1514 178.7572 168 R 3.8768 7.9036 118.8082 59.5947 29.9406 178.6567 169 V 3.5884 8.2702 118.1429 65.8502 31.4842 177.8919 170 A 4.0295 8.3617 120.7001 54.8797 18.1877 179.5219 171 A 3.9754 8.2761 119.2885 55.4881 18.5503 179.5628 172 E 3.9297 8.3971 117.2712 59.6215 29.4613 179.8231 173 K 3.9505 8.2518 118.4061 59.3273 32.1187 179.0857 174 L 3.8234 7.8681 120.4491 58.1961 41.9882 178.9352 175 L 4.0073 8.0081 118.8875 58.1304 41.6482 179.7402 176 T 3.8630 8.0674 115.6133 66.6060 68.2549 176.7017 177 K 4.0915 8.0659 119.9295 58.7988 32.1975 178.3977 178 F 4.2637 7.6620 120.6901 61.1134 39.4097 176.9830 179 K 3.7866 8.0057 117.0278 59.5772 31.9704 177.1528 180 T 4.0080 7.5425 118.6671 63.9912 68.3907 173.8145 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 112 M 8.16 4.49 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.67 0.00 113 P 0.00 4.07 0.00 2.28 2.15 0.00 3.60 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 2.27 2.20 0.00 114 V 7.93 3.75 2.06 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 1.01 0.00 0.00 0.85 0.00 0.00 115 G 8.08 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 0.00 116 S 8.50 4.16 0.00 4.02 3.91 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 0.00 117 L 8.19 3.91 0.00 1.91 1.91 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 8.28 3.93 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 119 E 8.28 3.88 0.00 2.01 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 2.31 2.44 0.00 120 L 7.90 3.65 0.00 1.63 1.70 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.78 3.87 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.95 3.48 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 0.99 0.00 0.00 123 Q 7.94 3.85 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 124 K 7.78 3.87 0.00 0.79 0.74 0.00 1.56 0.00 0.00 1.44 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.81 0.21 7.81 125 G 7.36 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 0.00 0.00 0.00 126 W 7.98 5.01 0.00 3.38 2.91 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 0.00 127 R 8.44 4.15 0.00 1.83 1.90 0.00 3.24 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 128 L 8.41 4.18 0.00 1.67 1.67 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.58 0.00 1.92 1.80 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 130 E 8.88 4.67 0.00 1.78 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 131 Y 8.67 5.20 0.00 2.81 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.75 4.28 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 1.23 0.00 0.00 133 V 8.28 3.65 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 0.82 0.00 0.00 0.95 0.00 0.00 134 A 8.66 4.23 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 0.00 135 Q 9.18 4.48 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 *145 F 7.80 5.29 0.00 3.33 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 0.00 146 T 8.82 5.33 4.29 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 1.25 0.00 0.00 147 I 8.87 4.97 1.96 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 1.28 0.70 1.14 0.00 0.00 148 T 9.10 5.00 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 1.22 0.00 0.00 149 C 9.27 4.97 0.00 2.85 2.68 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 0.00 0.00 0.00 0.00 150 R 8.63 5.28 0.00 1.66 1.69 0.00 3.15 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 151 V 8.65 4.50 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 0.76 0.00 0.00 1.13 0.00 0.00 152 E 8.71 3.12 0.00 1.16 1.12 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 1.47 1.47 0.00 153 T 7.74 4.24 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 0.96 0.00 0.00 154 F 7.98 4.77 0.00 3.18 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 V 8.16 4.77 2.09 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 0.77 0.00 0.00 0.91 0.00 0.00 156 E 9.32 4.83 0.00 1.89 1.78 0.00 0.00 0.00 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 2.43 0.00 157 T 8.72 5.03 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 1.31 0.00 0.00 158 G 9.39 4.36 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 0.00 0.00 0.00 159 S 7.80 5.94 0.00 3.75 3.77 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 0.00 0.00 0.00 160 G 8.10 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 0.00 0.00 0.00 0.00 161 T 8.91 4.33 4.31 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 1.24 0.00 0.00 162 S 7.69 4.77 0.00 3.90 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 0.00 163 K 7.73 3.69 0.00 1.50 1.65 0.00 1.38 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.81 0.24 7.81 164 Q 7.79 3.84 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 165 V 7.73 3.57 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 1.06 0.00 0.00 0.93 0.00 0.00 166 A 8.05 4.01 1.53 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 0.00 0.00 167 K 7.99 3.82 0.00 1.69 1.84 0.00 1.23 0.00 0.00 1.25 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 0.70 7.81 168 R 7.90 3.88 0.00 2.03 2.08 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 169 V 8.27 3.59 2.25 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 0.98 0.00 0.00 1.03 0.00 0.00 170 A 8.36 4.03 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.28 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 172 E 8.40 3.93 0.00 2.17 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 0.00 2.35 2.61 0.00 173 K 8.25 3.95 0.00 1.99 1.88 0.00 1.85 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.62 7.81 174 L 7.87 3.82 0.00 1.93 1.63 0.98 0.70 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 0.00 175 L 8.01 4.01 0.00 1.90 1.76 0.97 0.54 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 0.00 176 T 8.07 3.86 4.42 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 1.22 0.00 0.00 177 K 8.07 4.09 0.00 1.88 1.81 0.00 2.22 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.64 1.52 7.81 178 F 7.66 4.26 0.00 2.59 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 0.00 179 K 8.01 3.79 0.00 1.87 1.81 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.84 7.81 180 T 7.54 4.01 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.